smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNCC(=O)N(C)[C@H](C[NH3+])C1CC1 843499249 582472301 /nfs/dbraw/zinc/47/23/01/582472301.db2.gz XVLUVPZIHCLPSA-SECBINFHSA-N 1 3 199.298 -0.208 20 0 ABADHO CCNCC(=O)N(C)[C@@H](C[NH3+])C1CC1 843499254 582472343 /nfs/dbraw/zinc/47/23/43/582472343.db2.gz XVLUVPZIHCLPSA-VIFPVBQESA-N 1 3 199.298 -0.208 20 0 ABADHO CCNCC(=O)N[C@@H](C)C[NH3+] 146058187 582488824 /nfs/dbraw/zinc/48/88/24/582488824.db2.gz NGMSDAUZOHZQPH-LURJTMIESA-N 1 3 159.233 -0.941 20 0 ABADHO C[C@H](N)C[NH2+][C@@H](C)CN(C)C 113369811 582498602 /nfs/dbraw/zinc/49/86/02/582498602.db2.gz APMQGTMNVUHWBL-YUMQZZPRSA-N 1 3 159.277 -0.127 20 0 ABADHO [NH3+]C1(CN[C@H]2CNCCOC2)CC1 902409742 582599895 /nfs/dbraw/zinc/59/98/95/582599895.db2.gz OCPWHKYGZYVGAM-QMMMGPOBSA-N 1 3 185.271 -0.944 20 0 ABADHO [NH3+]C1(CN[C@@H]2CNCCOC2)CC1 902409741 582600508 /nfs/dbraw/zinc/60/05/08/582600508.db2.gz OCPWHKYGZYVGAM-MRVPVSSYSA-N 1 3 185.271 -0.944 20 0 ABADHO NOCCC[NH2+][C@H]1CCCNCC1 902417358 582603193 /nfs/dbraw/zinc/60/31/93/582603193.db2.gz YINMDFOIRACHKP-VIFPVBQESA-N 1 3 187.287 -0.002 20 0 ABADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCON 902417396 582603294 /nfs/dbraw/zinc/60/32/94/582603294.db2.gz YPYXOBRPVDGFEN-DTWKUNHWSA-N 1 3 187.287 -0.003 20 0 ABADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCON 902415704 582603420 /nfs/dbraw/zinc/60/34/20/582603420.db2.gz PNXVFHILLLRYCX-BDAKNGLRSA-N 1 3 187.287 -0.016 20 0 ABADHO C[C@H]1[NH2+]CCC[C@H]1NCCCON 902417688 582603450 /nfs/dbraw/zinc/60/34/50/582603450.db2.gz YPYXOBRPVDGFEN-RKDXNWHRSA-N 1 3 187.287 -0.003 20 0 ABADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCON 902415706 582603587 /nfs/dbraw/zinc/60/35/87/582603587.db2.gz PNXVFHILLLRYCX-IUCAKERBSA-N 1 3 187.287 -0.016 20 0 ABADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCON 902417687 582603703 /nfs/dbraw/zinc/60/37/03/582603703.db2.gz YPYXOBRPVDGFEN-IUCAKERBSA-N 1 3 187.287 -0.003 20 0 ABADHO NOCCC[NH2+][C@@H]1CCCNCC1 902417353 582603777 /nfs/dbraw/zinc/60/37/77/582603777.db2.gz YINMDFOIRACHKP-SECBINFHSA-N 1 3 187.287 -0.002 20 0 ABADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCON 902415705 582603779 /nfs/dbraw/zinc/60/37/79/582603779.db2.gz PNXVFHILLLRYCX-DTWKUNHWSA-N 1 3 187.287 -0.016 20 0 ABADHO NC[C@H]1CCC[C@H]1[NH2+]CCCON 902415707 582603796 /nfs/dbraw/zinc/60/37/96/582603796.db2.gz PNXVFHILLLRYCX-RKDXNWHRSA-N 1 3 187.287 -0.016 20 0 ABADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCON 902417394 582603962 /nfs/dbraw/zinc/60/39/62/582603962.db2.gz YPYXOBRPVDGFEN-BDAKNGLRSA-N 1 3 187.287 -0.003 20 0 ABADHO COC[C@@H](O)CN[C@@H](C)C[C@H](C)[NH3+] 902514526 582608867 /nfs/dbraw/zinc/60/88/67/582608867.db2.gz PATAFGJCVRDCHP-CIUDSAMLSA-N 1 3 190.287 -0.291 20 0 ABADHO COC[C@@H](O)CN[C@H](C)C[C@H](C)[NH3+] 902514529 582608946 /nfs/dbraw/zinc/60/89/46/582608946.db2.gz PATAFGJCVRDCHP-YIZRAAEISA-N 1 3 190.287 -0.291 20 0 ABADHO COC[C@@H](O)CN[C@H](C)C[C@@H](C)[NH3+] 902514527 582609298 /nfs/dbraw/zinc/60/92/98/582609298.db2.gz PATAFGJCVRDCHP-HLTSFMKQSA-N 1 3 190.287 -0.291 20 0 ABADHO COC[C@@H](O)CN[C@@H](C)C[C@@H](C)[NH3+] 902514528 582609637 /nfs/dbraw/zinc/60/96/37/582609637.db2.gz PATAFGJCVRDCHP-VGMNWLOBSA-N 1 3 190.287 -0.291 20 0 ABADHO C[C@H](NC1CC(C[NH3+])C1)C(=O)N(C)C 904367638 582636441 /nfs/dbraw/zinc/63/64/41/582636441.db2.gz BDXWFTBTNFWWDV-UEJVZZJDSA-N 1 3 199.298 -0.210 20 0 ABADHO NOCCCNC[C@]12C[NH2+]C[C@H]1C2 904457453 582639071 /nfs/dbraw/zinc/63/90/71/582639071.db2.gz PLMMUZRKJLGXEA-RKDXNWHRSA-N 1 3 185.271 -0.534 20 0 ABADHO NOCCCNC[C@@]12C[NH2+]C[C@@H]1C2 904457452 582639211 /nfs/dbraw/zinc/63/92/11/582639211.db2.gz PLMMUZRKJLGXEA-IUCAKERBSA-N 1 3 185.271 -0.534 20 0 ABADHO C[NH+](C)CCN(C(=O)CN)C1CC1 906090344 582654357 /nfs/dbraw/zinc/65/43/57/582654357.db2.gz ITKYAFPEWARPKN-UHFFFAOYSA-N 1 3 185.271 -0.502 20 0 ABADHO CC(C)(C)[NH2+]CCNC(=O)CN 906086100 582654461 /nfs/dbraw/zinc/65/44/61/582654461.db2.gz UKWWNGOYXPUPFF-UHFFFAOYSA-N 1 3 173.260 -0.551 20 0 ABADHO CC[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 380128536 582677688 /nfs/dbraw/zinc/67/76/88/582677688.db2.gz SIUVZNMDSJDSHI-DTWKUNHWSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 380128542 582677810 /nfs/dbraw/zinc/67/78/10/582677810.db2.gz SIUVZNMDSJDSHI-RKDXNWHRSA-N 1 3 199.298 -0.161 20 0 ABADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C1 380124083 582678383 /nfs/dbraw/zinc/67/83/83/582678383.db2.gz RGLQSRCIEUANDW-RKDXNWHRSA-N 1 3 199.298 -0.081 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 818209731 583005508 /nfs/dbraw/zinc/00/55/08/583005508.db2.gz YHODZASWBATXDD-XAVMHZPKSA-N 1 3 195.266 -0.846 20 0 ABADHO C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@H]1N 818230004 583006497 /nfs/dbraw/zinc/00/64/97/583006497.db2.gz LSIRRBGOUJKJLB-SFYZADRCSA-N 1 3 185.271 -0.599 20 0 ABADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1N 818231113 583006552 /nfs/dbraw/zinc/00/65/52/583006552.db2.gz RBCVCRVUJPOKNU-KZVJFYERSA-N 1 3 197.282 -0.410 20 0 ABADHO CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@@H]1N 818231211 583006559 /nfs/dbraw/zinc/00/65/59/583006559.db2.gz SHWZMCAEZHGZJZ-RQJHMYQMSA-N 1 3 185.271 -0.423 20 0 ABADHO CN(C(=O)[C@@H]1C[C@@H]1N)[C@H]1CC[NH2+]C1 818546409 583007512 /nfs/dbraw/zinc/00/75/12/583007512.db2.gz ZXJLXAGMCGLMSE-RNJXMRFFSA-N 1 3 183.255 -0.846 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]1N 818582440 583007531 /nfs/dbraw/zinc/00/75/31/583007531.db2.gz QZELIYHOTFWOBW-PRJMDXOYSA-N 1 3 185.271 -0.552 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 818532597 583007535 /nfs/dbraw/zinc/00/75/35/583007535.db2.gz TUDIQIAJUJOIFT-XHNCKOQMSA-N 1 3 197.282 -0.551 20 0 ABADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818557297 583007580 /nfs/dbraw/zinc/00/75/80/583007580.db2.gz RLIXIASUSIONQV-PRJMDXOYSA-N 1 3 183.255 -0.846 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 818532102 583007587 /nfs/dbraw/zinc/00/75/87/583007587.db2.gz QBJPHHXTRNDNMW-HRDYMLBCSA-N 1 3 197.282 -0.408 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NCC1CC[NH2+]CC1 818559932 583007611 /nfs/dbraw/zinc/00/76/11/583007611.db2.gz VGADXECEJVFQHB-DTWKUNHWSA-N 1 3 197.282 -0.551 20 0 ABADHO C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818557298 583007633 /nfs/dbraw/zinc/00/76/33/583007633.db2.gz RLIXIASUSIONQV-RNJXMRFFSA-N 1 3 183.255 -0.846 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 818532103 583007723 /nfs/dbraw/zinc/00/77/23/583007723.db2.gz QBJPHHXTRNDNMW-XHNCKOQMSA-N 1 3 197.282 -0.408 20 0 ABADHO CC1(C)CNCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] 818525309 583007730 /nfs/dbraw/zinc/00/77/30/583007730.db2.gz YHEAASGQWCZJTJ-SFYZADRCSA-N 1 3 197.282 -0.456 20 0 ABADHO CCNCC(=O)N[C@H]1CC[NH2+]C1(C)C 818610085 583007741 /nfs/dbraw/zinc/00/77/41/583007741.db2.gz WRKLYUWSIOTYQD-QMMMGPOBSA-N 1 3 199.298 -0.147 20 0 ABADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@@H]1N 818531900 583007753 /nfs/dbraw/zinc/00/77/53/583007753.db2.gz VNNXJBXKPNWGTH-SFYZADRCSA-N 1 3 199.298 -0.223 20 0 ABADHO CCNCC(=O)N[C@@H]1CC[NH2+]C1(C)C 818610084 583007759 /nfs/dbraw/zinc/00/77/59/583007759.db2.gz WRKLYUWSIOTYQD-MRVPVSSYSA-N 1 3 199.298 -0.147 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H](C)N1 818554150 583007822 /nfs/dbraw/zinc/00/78/22/583007822.db2.gz KKRQGFWJTADTRC-MAUMQABQSA-N 1 3 197.282 -0.458 20 0 ABADHO CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H]1N 818522559 583007835 /nfs/dbraw/zinc/00/78/35/583007835.db2.gz LAFJMNXJBKDPEB-RQJHMYQMSA-N 1 3 171.244 -0.859 20 0 ABADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818565217 583007852 /nfs/dbraw/zinc/00/78/52/583007852.db2.gz RIZYVWWLCQRIDQ-MAUMQABQSA-N 1 3 197.282 -0.471 20 0 ABADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818565215 583007881 /nfs/dbraw/zinc/00/78/81/583007881.db2.gz RIZYVWWLCQRIDQ-BGZDPUMWSA-N 1 3 197.282 -0.471 20 0 ABADHO CCNCC(=O)NC(C)(C)CC[NH3+] 818613075 583007909 /nfs/dbraw/zinc/00/79/09/583007909.db2.gz DKAFMQPHOHTZGJ-UHFFFAOYSA-N 1 3 187.287 -0.161 20 0 ABADHO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818594620 583007917 /nfs/dbraw/zinc/00/79/17/583007917.db2.gz TYNXSLXUYAQPEJ-KHQFGBGNSA-N 1 3 197.282 -0.469 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H](C)N1 818554151 583007926 /nfs/dbraw/zinc/00/79/26/583007926.db2.gz KKRQGFWJTADTRC-XAVMHZPKSA-N 1 3 197.282 -0.458 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 818532595 583007948 /nfs/dbraw/zinc/00/79/48/583007948.db2.gz TUDIQIAJUJOIFT-HRDYMLBCSA-N 1 3 197.282 -0.551 20 0 ABADHO CC(C)(CCC[NH3+])NC(=O)[C@@H]1C[C@@H]1N 818602519 583008013 /nfs/dbraw/zinc/00/80/13/583008013.db2.gz QOQNTXTZNLCVES-SFYZADRCSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818565216 583008089 /nfs/dbraw/zinc/00/80/89/583008089.db2.gz RIZYVWWLCQRIDQ-KDXUFGMBSA-N 1 3 197.282 -0.471 20 0 ABADHO CCNCC(=O)N(C)C1(C[NH3+])CCC1 818596602 583008143 /nfs/dbraw/zinc/00/81/43/583008143.db2.gz IDFFRQIRHRADFI-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CN(C(=O)[C@@H]1C[C@@H]1N)[C@@H]1CC[NH2+]C1 818546408 583008155 /nfs/dbraw/zinc/00/81/55/583008155.db2.gz ZXJLXAGMCGLMSE-PRJMDXOYSA-N 1 3 183.255 -0.846 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 818541922 583008169 /nfs/dbraw/zinc/00/81/69/583008169.db2.gz YICPJLBVATXIGC-BIIVOSGPSA-N 1 3 183.255 -0.798 20 0 ABADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H](C)N1 818554149 583008258 /nfs/dbraw/zinc/00/82/58/583008258.db2.gz KKRQGFWJTADTRC-BGZDPUMWSA-N 1 3 197.282 -0.458 20 0 ABADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818565218 583008262 /nfs/dbraw/zinc/00/82/62/583008262.db2.gz RIZYVWWLCQRIDQ-XAVMHZPKSA-N 1 3 197.282 -0.471 20 0 ABADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818594621 583008272 /nfs/dbraw/zinc/00/82/72/583008272.db2.gz TYNXSLXUYAQPEJ-WEDXCCLWSA-N 1 3 197.282 -0.469 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 818541923 583008282 /nfs/dbraw/zinc/00/82/82/583008282.db2.gz YICPJLBVATXIGC-GJMOJQLCSA-N 1 3 183.255 -0.798 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)CN1 831540495 583074559 /nfs/dbraw/zinc/07/45/59/583074559.db2.gz VBBCJGKODZOYOL-KDXUFGMBSA-N 1 3 197.282 -0.458 20 0 ABADHO C[C@H]1CN[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1[NH3+] 831540498 583074618 /nfs/dbraw/zinc/07/46/18/583074618.db2.gz VBBCJGKODZOYOL-XAVMHZPKSA-N 1 3 197.282 -0.458 20 0 ABADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)CN1 831540490 583074652 /nfs/dbraw/zinc/07/46/52/583074652.db2.gz VBBCJGKODZOYOL-BGZDPUMWSA-N 1 3 197.282 -0.458 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)CN1 831540496 583074827 /nfs/dbraw/zinc/07/48/27/583074827.db2.gz VBBCJGKODZOYOL-MAUMQABQSA-N 1 3 197.282 -0.458 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC1CC[NH2+]CC1 832208949 583076716 /nfs/dbraw/zinc/07/67/16/583076716.db2.gz KJKLQQWCCJIXIV-JGVFFNPUSA-N 1 3 183.255 -0.798 20 0 ABADHO C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]1N 832367835 583077705 /nfs/dbraw/zinc/07/77/05/583077705.db2.gz YTGIFZWLFHHVAF-RQJHMYQMSA-N 1 3 171.244 -0.941 20 0 ABADHO C[NH2+]CCCNC(=O)[C@@H](C)NC1CC1 832373427 583077713 /nfs/dbraw/zinc/07/77/13/583077713.db2.gz UZXJPTRMFWIFKZ-MRVPVSSYSA-N 1 3 199.298 -0.147 20 0 ABADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]C1 832409784 583078037 /nfs/dbraw/zinc/07/80/37/583078037.db2.gz NEKHXUMDPCBEGX-APPZFPTMSA-N 1 3 197.282 -0.395 20 0 ABADHO C[NH2+]CCCNC(=O)[C@H](C)NC1CC1 832373428 583078141 /nfs/dbraw/zinc/07/81/41/583078141.db2.gz UZXJPTRMFWIFKZ-QMMMGPOBSA-N 1 3 199.298 -0.147 20 0 ABADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]C1 832409792 583078178 /nfs/dbraw/zinc/07/81/78/583078178.db2.gz NEKHXUMDPCBEGX-IONNQARKSA-N 1 3 197.282 -0.395 20 0 ABADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]C1 832409794 583078195 /nfs/dbraw/zinc/07/81/95/583078195.db2.gz NEKHXUMDPCBEGX-VXNVDRBHSA-N 1 3 197.282 -0.395 20 0 ABADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]C1 832409790 583078261 /nfs/dbraw/zinc/07/82/61/583078261.db2.gz NEKHXUMDPCBEGX-CBAPKCEASA-N 1 3 197.282 -0.395 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 832630746 583078529 /nfs/dbraw/zinc/07/85/29/583078529.db2.gz ZIVSQXHGWXFSJL-XHNCKOQMSA-N 1 3 197.282 -0.551 20 0 ABADHO CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1N 832578246 583078599 /nfs/dbraw/zinc/07/85/99/583078599.db2.gz QFJQKPZZKIIHEK-RQJHMYQMSA-N 1 3 171.244 -0.941 20 0 ABADHO N[C@H]1C[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 832544888 583078632 /nfs/dbraw/zinc/07/86/32/583078632.db2.gz UXVCKUDSBXPZAG-PRJMDXOYSA-N 1 3 183.255 -0.859 20 0 ABADHO CC[NH2+]CCNC(=O)[C@@H](C)NC1CC1 832581811 583078695 /nfs/dbraw/zinc/07/86/95/583078695.db2.gz GDQKZSLIBMHYAO-MRVPVSSYSA-N 1 3 199.298 -0.147 20 0 ABADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 832560005 583078797 /nfs/dbraw/zinc/07/87/97/583078797.db2.gz QMSADEZFWIMIDM-HLTSFMKQSA-N 1 3 197.282 -0.456 20 0 ABADHO CC[NH2+]CCNC(=O)[C@H](C)NC1CC1 832581812 583078825 /nfs/dbraw/zinc/07/88/25/583078825.db2.gz GDQKZSLIBMHYAO-QMMMGPOBSA-N 1 3 199.298 -0.147 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H](C)NC1CC1 832573169 583078844 /nfs/dbraw/zinc/07/88/44/583078844.db2.gz DQCGCGUPBBDPJI-SSDOTTSWSA-N 1 3 185.271 -0.538 20 0 ABADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 832560006 583078907 /nfs/dbraw/zinc/07/89/07/583078907.db2.gz QMSADEZFWIMIDM-YIZRAAEISA-N 1 3 197.282 -0.456 20 0 ABADHO N[C@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 832544891 583078916 /nfs/dbraw/zinc/07/89/16/583078916.db2.gz UXVCKUDSBXPZAG-RNJXMRFFSA-N 1 3 183.255 -0.859 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@H](C)NC1CC1 832564246 583079068 /nfs/dbraw/zinc/07/90/68/583079068.db2.gz AJNCLELFKNCBNW-YUMQZZPRSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@@H](C)NC1CC1 832564243 583079176 /nfs/dbraw/zinc/07/91/76/583079176.db2.gz AJNCLELFKNCBNW-JGVFFNPUSA-N 1 3 199.298 -0.020 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 832630745 583079204 /nfs/dbraw/zinc/07/92/04/583079204.db2.gz ZIVSQXHGWXFSJL-HRDYMLBCSA-N 1 3 197.282 -0.551 20 0 ABADHO C[NH2+]CCNC(=O)[C@H](C)NC1CC1 832573171 583079259 /nfs/dbraw/zinc/07/92/59/583079259.db2.gz DQCGCGUPBBDPJI-ZETCQYMHSA-N 1 3 185.271 -0.538 20 0 ABADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1N 832755569 583079592 /nfs/dbraw/zinc/07/95/92/583079592.db2.gz OLMXAOOFKKRTNJ-CSMHCCOUSA-N 1 3 185.271 -0.567 20 0 ABADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1N 832755570 583079608 /nfs/dbraw/zinc/07/96/08/583079608.db2.gz OLMXAOOFKKRTNJ-GJMOJQLCSA-N 1 3 185.271 -0.567 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@@H]1[NH3+] 832737120 583079664 /nfs/dbraw/zinc/07/96/64/583079664.db2.gz MQXVXEYWXXJLJY-KZVJFYERSA-N 1 3 197.282 -0.471 20 0 ABADHO C[C@H](NC1CC1)C(=O)N(C)[C@H](C)C[NH3+] 832726439 583079686 /nfs/dbraw/zinc/07/96/86/583079686.db2.gz XIVRBQBDUBDISY-SFYZADRCSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H](NC1CC1)C(=O)N(C)[C@@H](C)C[NH3+] 832726440 583079691 /nfs/dbraw/zinc/07/96/91/583079691.db2.gz XIVRBQBDUBDISY-YUMQZZPRSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](C[NH3+])N(C)C(=O)[C@@H](C)NC1CC1 832726438 583079724 /nfs/dbraw/zinc/07/97/24/583079724.db2.gz XIVRBQBDUBDISY-JGVFFNPUSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](NC1CC1)C(=O)N(C)[C@H](C)C[NH3+] 832726437 583079833 /nfs/dbraw/zinc/07/98/33/583079833.db2.gz XIVRBQBDUBDISY-HTQZYQBOSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@@H]1[NH3+] 832737118 583079869 /nfs/dbraw/zinc/07/98/69/583079869.db2.gz MQXVXEYWXXJLJY-HXFLIBJXSA-N 1 3 197.282 -0.471 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@H]1[NH3+] 832737119 583080085 /nfs/dbraw/zinc/08/00/85/583080085.db2.gz MQXVXEYWXXJLJY-KDXUFGMBSA-N 1 3 197.282 -0.471 20 0 ABADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@H]1[NH3+] 832737117 583080197 /nfs/dbraw/zinc/08/01/97/583080197.db2.gz MQXVXEYWXXJLJY-BGZDPUMWSA-N 1 3 197.282 -0.471 20 0 ABADHO C[C@@H](NC1CC1)C(=O)N(C)CCC[NH3+] 832781559 583080342 /nfs/dbraw/zinc/08/03/42/583080342.db2.gz JEWXWMRZUZPEJK-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1N 832824745 583080374 /nfs/dbraw/zinc/08/03/74/583080374.db2.gz QSMLUWXVUPEGIY-HLTSFMKQSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H](NC1CC1)C(=O)NCC(C)(C)[NH3+] 832801071 583080487 /nfs/dbraw/zinc/08/04/87/583080487.db2.gz OPMKHMXRDQSFDR-SSDOTTSWSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H](NC1CC1)C(=O)NCC(C)(C)[NH3+] 832801072 583080541 /nfs/dbraw/zinc/08/05/41/583080541.db2.gz OPMKHMXRDQSFDR-ZETCQYMHSA-N 1 3 199.298 -0.020 20 0 ABADHO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1N 832808700 583080921 /nfs/dbraw/zinc/08/09/21/583080921.db2.gz IJNWJUVVQGGKJM-SFYZADRCSA-N 1 3 199.298 -0.033 20 0 ABADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1N 832824746 583080954 /nfs/dbraw/zinc/08/09/54/583080954.db2.gz QSMLUWXVUPEGIY-YIZRAAEISA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@H](NC1CC1)C(=O)N(C)CCC[NH3+] 832781561 583081021 /nfs/dbraw/zinc/08/10/21/583081021.db2.gz JEWXWMRZUZPEJK-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@H](C)NC1CC1 834340928 583085410 /nfs/dbraw/zinc/08/54/10/583085410.db2.gz JYOVBXJQTBWALH-YUMQZZPRSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](NC1CC1)C(=O)NC[C@H](C)C[NH3+] 834340926 583085453 /nfs/dbraw/zinc/08/54/53/583085453.db2.gz JYOVBXJQTBWALH-SFYZADRCSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@@H](C)NC1CC1 834340925 583085621 /nfs/dbraw/zinc/08/56/21/583085621.db2.gz JYOVBXJQTBWALH-JGVFFNPUSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@@H](C)NC1CC1 834340924 583085740 /nfs/dbraw/zinc/08/57/40/583085740.db2.gz JYOVBXJQTBWALH-HTQZYQBOSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@H](C)NC1CC1 834452735 583086216 /nfs/dbraw/zinc/08/62/16/583086216.db2.gz KSPIDBBVDFFLPX-YUMQZZPRSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H](NC1CC1)C(=O)N[C@H](C)CC[NH3+] 834452734 583086234 /nfs/dbraw/zinc/08/62/34/583086234.db2.gz KSPIDBBVDFFLPX-SFYZADRCSA-N 1 3 199.298 -0.020 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 834594335 583086245 /nfs/dbraw/zinc/08/62/45/583086245.db2.gz QRHGVVDDJRQOLR-XSPKLOCKSA-N 1 3 197.282 -0.280 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@@H]1C[C@@H]1N 834453433 583086325 /nfs/dbraw/zinc/08/63/25/583086325.db2.gz RYMMKBUSIURRPL-XVMARJQXSA-N 1 3 171.244 -0.813 20 0 ABADHO C[C@H](NC1CC1)C(=O)N[C@H](C)C[NH3+] 834521716 583086354 /nfs/dbraw/zinc/08/63/54/583086354.db2.gz QRPCOZRGWWSTNL-RQJHMYQMSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@@H]1N 834453432 583086360 /nfs/dbraw/zinc/08/63/60/583086360.db2.gz RYMMKBUSIURRPL-QYNIQEEDSA-N 1 3 171.244 -0.813 20 0 ABADHO CC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 834589191 583086426 /nfs/dbraw/zinc/08/64/26/583086426.db2.gz KIRSXXVQHKUCEQ-SFYZADRCSA-N 1 3 197.282 -0.327 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 834594333 583086443 /nfs/dbraw/zinc/08/64/43/583086443.db2.gz QRHGVVDDJRQOLR-RYPBNFRJSA-N 1 3 197.282 -0.280 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 834594334 583086466 /nfs/dbraw/zinc/08/64/66/583086466.db2.gz QRHGVVDDJRQOLR-UYXSQOIJSA-N 1 3 197.282 -0.280 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@H](C)NC1CC1 834608791 583086471 /nfs/dbraw/zinc/08/64/71/583086471.db2.gz QRPCOZRGWWSTNL-BQBZGAKWSA-N 1 3 185.271 -0.410 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 834594332 583086499 /nfs/dbraw/zinc/08/64/99/583086499.db2.gz QRHGVVDDJRQOLR-LURQLKTLSA-N 1 3 197.282 -0.280 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@@H](C)NC1CC1 834608792 583086504 /nfs/dbraw/zinc/08/65/04/583086504.db2.gz QRPCOZRGWWSTNL-NKWVEPMBSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@H](N)C1CCC1 834618796 583086514 /nfs/dbraw/zinc/08/65/14/583086514.db2.gz OOKJVLVKGAGEGC-POYBYMJQSA-N 1 3 185.271 -0.423 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 834579163 583086562 /nfs/dbraw/zinc/08/65/62/583086562.db2.gz OIWUOOLOKDVIDM-HRDYMLBCSA-N 1 3 197.282 -0.408 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 834579164 583086565 /nfs/dbraw/zinc/08/65/65/583086565.db2.gz OIWUOOLOKDVIDM-XHNCKOQMSA-N 1 3 197.282 -0.408 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@@H](C)NC1CC1 834521715 583086599 /nfs/dbraw/zinc/08/65/99/583086599.db2.gz QRPCOZRGWWSTNL-RNFRBKRXSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@@H](C)NC1CC1 834452733 583086846 /nfs/dbraw/zinc/08/68/46/583086846.db2.gz KSPIDBBVDFFLPX-JGVFFNPUSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@@H](C)NC1CC1 834452732 583086853 /nfs/dbraw/zinc/08/68/53/583086853.db2.gz KSPIDBBVDFFLPX-HTQZYQBOSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@@H](N)C1CCC1 834618797 583086866 /nfs/dbraw/zinc/08/68/66/583086866.db2.gz OOKJVLVKGAGEGC-XPUUQOCRSA-N 1 3 185.271 -0.423 20 0 ABADHO CNCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 834865896 583087211 /nfs/dbraw/zinc/08/72/11/583087211.db2.gz HHDOLVNFYFUBCN-SFYZADRCSA-N 1 3 183.255 -0.974 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 834862033 583087392 /nfs/dbraw/zinc/08/73/92/583087392.db2.gz PBNOYWHWNUEVBN-RNJXMRFFSA-N 1 3 183.255 -0.846 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](C)NC1CC1 834827926 583087550 /nfs/dbraw/zinc/08/75/50/583087550.db2.gz YBUWVHAOWKEGGG-HTQZYQBOSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 834862028 583087577 /nfs/dbraw/zinc/08/75/77/583087577.db2.gz PBNOYWHWNUEVBN-PRJMDXOYSA-N 1 3 183.255 -0.846 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@H](C)NC1CC1 834827929 583087642 /nfs/dbraw/zinc/08/76/42/583087642.db2.gz YBUWVHAOWKEGGG-JGVFFNPUSA-N 1 3 199.298 -0.020 20 0 ABADHO CC[NH2+]CC(=O)N1CCNC(C)(C)C1 841854793 583118074 /nfs/dbraw/zinc/11/80/74/583118074.db2.gz AQBXRBGBTMUCMB-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H](C)CCN1 841850572 583118371 /nfs/dbraw/zinc/11/83/71/583118371.db2.gz WYNSCMYCYNJURP-HRDYMLBCSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H]1CCN[C@@H](C(=O)N[C@@H](C)C[NH3+])C1 841850574 583118559 /nfs/dbraw/zinc/11/85/59/583118559.db2.gz WYNSCMYCYNJURP-XHNCKOQMSA-N 1 3 199.298 -0.162 20 0 ABADHO CCNCC(=O)N(C)C1CC([NH3+])C1 841853164 583118607 /nfs/dbraw/zinc/11/86/07/583118607.db2.gz XMPAPHAPCWQLJC-UHFFFAOYSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H](C)CCN1 841850573 583118737 /nfs/dbraw/zinc/11/87/37/583118737.db2.gz WYNSCMYCYNJURP-VGMNWLOBSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H]1CCN[C@H](C(=O)N[C@@H](C)C[NH3+])C1 841850571 583118748 /nfs/dbraw/zinc/11/87/48/583118748.db2.gz WYNSCMYCYNJURP-CIUDSAMLSA-N 1 3 199.298 -0.162 20 0 ABADHO CNCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 842512322 583123540 /nfs/dbraw/zinc/12/35/40/583123540.db2.gz JQXNDGGODMOHJX-SNVBAGLBSA-N 1 3 197.282 -0.440 20 0 ABADHO CN(CC[NH3+])C(=O)[C@]1(F)CCNC1 842509434 583123863 /nfs/dbraw/zinc/12/38/63/583123863.db2.gz JTTFXTKPLXTOHC-QMMMGPOBSA-N 1 3 189.234 -0.895 20 0 ABADHO C[C@@H](NC1CC1)C(=O)N(C)CC[NH3+] 842508605 583124073 /nfs/dbraw/zinc/12/40/73/583124073.db2.gz BEIJUXAQGVJYQK-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 842512807 583124200 /nfs/dbraw/zinc/12/42/00/583124200.db2.gz NRHXQJNOPGUHND-PSASIEDQSA-N 1 3 197.282 -0.312 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 842512808 583124263 /nfs/dbraw/zinc/12/42/63/583124263.db2.gz NRHXQJNOPGUHND-SCZZXKLOSA-N 1 3 197.282 -0.312 20 0 ABADHO CNCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 842512320 583124296 /nfs/dbraw/zinc/12/42/96/583124296.db2.gz JQXNDGGODMOHJX-JTQLQIEISA-N 1 3 197.282 -0.440 20 0 ABADHO CN(CC[NH3+])C(=O)[C@@]1(F)CCNC1 842509428 583124329 /nfs/dbraw/zinc/12/43/29/583124329.db2.gz JTTFXTKPLXTOHC-MRVPVSSYSA-N 1 3 189.234 -0.895 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 842512810 583124363 /nfs/dbraw/zinc/12/43/63/583124363.db2.gz NRHXQJNOPGUHND-WPRPVWTQSA-N 1 3 197.282 -0.312 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 842512809 583124416 /nfs/dbraw/zinc/12/44/16/583124416.db2.gz NRHXQJNOPGUHND-WCBMZHEXSA-N 1 3 197.282 -0.312 20 0 ABADHO C[C@H](NC1CC1)C(=O)N(C)CC[NH3+] 842508607 583124421 /nfs/dbraw/zinc/12/44/21/583124421.db2.gz BEIJUXAQGVJYQK-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H](NC1CC1)C(=O)NC(C)(C)C[NH3+] 843337151 583132363 /nfs/dbraw/zinc/13/23/63/583132363.db2.gz WIMSMYWEOMMQKJ-SSDOTTSWSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H](NC1CC1)C(=O)NC(C)(C)C[NH3+] 843337152 583132508 /nfs/dbraw/zinc/13/25/08/583132508.db2.gz WIMSMYWEOMMQKJ-ZETCQYMHSA-N 1 3 199.298 -0.020 20 0 ABADHO CCNCC(=O)N1C[C@@H]([NH3+])[C@H](C)C1 843497084 583132641 /nfs/dbraw/zinc/13/26/41/583132641.db2.gz FERLPRPVGGXQGI-HTQZYQBOSA-N 1 3 185.271 -0.599 20 0 ABADHO CCNCC(=O)NC[C@@H]([NH3+])CC 843483115 583132651 /nfs/dbraw/zinc/13/26/51/583132651.db2.gz DMKUQKLFCRHDKM-ZETCQYMHSA-N 1 3 173.260 -0.551 20 0 ABADHO CCNCC(=O)NC[C@H]([NH3+])CC 843483110 583132770 /nfs/dbraw/zinc/13/27/70/583132770.db2.gz DMKUQKLFCRHDKM-SSDOTTSWSA-N 1 3 173.260 -0.551 20 0 ABADHO CCNCC(=O)N[C@@H](C)C[C@H](C)[NH3+] 843502546 583132677 /nfs/dbraw/zinc/13/26/77/583132677.db2.gz DSVFJUZGVJKIOL-YUMQZZPRSA-N 1 3 187.287 -0.162 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 843484366 583132715 /nfs/dbraw/zinc/13/27/15/583132715.db2.gz KBQDZCVMZOKSJU-HLTSFMKQSA-N 1 3 197.282 -0.456 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 843484368 583132799 /nfs/dbraw/zinc/13/27/99/583132799.db2.gz KBQDZCVMZOKSJU-VGMNWLOBSA-N 1 3 197.282 -0.456 20 0 ABADHO CCNCC(=O)N[C@H](C)C[C@H](C)[NH3+] 843502544 583132838 /nfs/dbraw/zinc/13/28/38/583132838.db2.gz DSVFJUZGVJKIOL-JGVFFNPUSA-N 1 3 187.287 -0.162 20 0 ABADHO CCNCC(=O)NCCC[NH2+]C1CC1 843512042 583132898 /nfs/dbraw/zinc/13/28/98/583132898.db2.gz FOZRRZRLAWOBNH-UHFFFAOYSA-N 1 3 199.298 -0.146 20 0 ABADHO CCNCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 843484628 583132924 /nfs/dbraw/zinc/13/29/24/583132924.db2.gz KTEQBIZYBVPEJR-RKDXNWHRSA-N 1 3 199.298 -0.161 20 0 ABADHO CCNCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 843484626 583133270 /nfs/dbraw/zinc/13/32/70/583133270.db2.gz KTEQBIZYBVPEJR-IUCAKERBSA-N 1 3 199.298 -0.161 20 0 ABADHO CCNCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] 843502545 583133277 /nfs/dbraw/zinc/13/32/77/583133277.db2.gz DSVFJUZGVJKIOL-SFYZADRCSA-N 1 3 187.287 -0.162 20 0 ABADHO CCNCC(=O)N[C@H](C)CCC[NH3+] 843482543 583133279 /nfs/dbraw/zinc/13/32/79/583133279.db2.gz FVZQSIBKWNFMGT-MRVPVSSYSA-N 1 3 187.287 -0.161 20 0 ABADHO CCNCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 843484066 583133284 /nfs/dbraw/zinc/13/32/84/583133284.db2.gz HSIHQPFKUHFMSN-BDAKNGLRSA-N 1 3 197.282 -0.584 20 0 ABADHO CCNCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 843484621 583133299 /nfs/dbraw/zinc/13/32/99/583133299.db2.gz KTEQBIZYBVPEJR-DTWKUNHWSA-N 1 3 199.298 -0.161 20 0 ABADHO CNCC(=O)NCCCCCC[NH3+] 843506696 583133303 /nfs/dbraw/zinc/13/33/03/583133303.db2.gz ZWDVEVRLVYSDIH-UHFFFAOYSA-N 1 3 187.287 -0.159 20 0 ABADHO CCNCC(=O)N[C@H](C)C[C@@H](C)[NH3+] 843502543 583133320 /nfs/dbraw/zinc/13/33/20/583133320.db2.gz DSVFJUZGVJKIOL-HTQZYQBOSA-N 1 3 187.287 -0.162 20 0 ABADHO CCNCC(=O)N[C@@H](C)CCC[NH3+] 843482544 583133342 /nfs/dbraw/zinc/13/33/42/583133342.db2.gz FVZQSIBKWNFMGT-QMMMGPOBSA-N 1 3 187.287 -0.161 20 0 ABADHO CCNCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 843484616 583133404 /nfs/dbraw/zinc/13/34/04/583133404.db2.gz KTEQBIZYBVPEJR-BDAKNGLRSA-N 1 3 199.298 -0.161 20 0 ABADHO CCNCC(=O)N(C)CC[NH3+] 843498653 583133430 /nfs/dbraw/zinc/13/34/30/583133430.db2.gz RVJHOGUFMAIGDG-UHFFFAOYSA-N 1 3 159.233 -0.987 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 848395049 583167260 /nfs/dbraw/zinc/16/72/60/583167260.db2.gz XJPMANLFCAEUOQ-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 848395051 583167375 /nfs/dbraw/zinc/16/73/75/583167375.db2.gz XJPMANLFCAEUOQ-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H](C)C[NH3+] 848422850 583168343 /nfs/dbraw/zinc/16/83/43/583168343.db2.gz SJATYQDCOBHRCL-WDSKDSINSA-N 1 3 159.233 -0.942 20 0 ABADHO CN[C@@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 848426913 583168510 /nfs/dbraw/zinc/16/85/10/583168510.db2.gz INEKIWLUQYAQIH-YIZRAAEISA-N 1 3 197.282 -0.585 20 0 ABADHO C[C@H](CCNC(=O)[C@@H]1C[C@@H]1N)[NH+](C)C 852847113 583213336 /nfs/dbraw/zinc/21/33/36/583213336.db2.gz ODNGUCFIUYFDSI-HLTSFMKQSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@@H](CCNC(=O)[C@@H]1C[C@@H]1N)[NH+](C)C 852847114 583213742 /nfs/dbraw/zinc/21/37/42/583213742.db2.gz ODNGUCFIUYFDSI-YIZRAAEISA-N 1 3 199.298 -0.210 20 0 ABADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@@H]1N 852841864 583213813 /nfs/dbraw/zinc/21/38/13/583213813.db2.gz LCDRKVVOMMQZCD-RQJHMYQMSA-N 1 3 185.271 -0.471 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)NC1CC1 852922512 583214314 /nfs/dbraw/zinc/21/43/14/583214314.db2.gz YKWQHMSZRLHXJS-JGVFFNPUSA-N 1 3 199.298 -0.149 20 0 ABADHO CCNCC(=O)N[C@]1(C)CC[NH2+]C1 852927160 583214328 /nfs/dbraw/zinc/21/43/28/583214328.db2.gz DDFCSHQCPUWIIZ-SECBINFHSA-N 1 3 185.271 -0.536 20 0 ABADHO CCNCC(=O)N[C@H](C)C[NH2+]C 852920050 583214405 /nfs/dbraw/zinc/21/44/05/583214405.db2.gz JNOCUQQZAALBAI-SSDOTTSWSA-N 1 3 173.260 -0.680 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NC1CC1 852922511 583214569 /nfs/dbraw/zinc/21/45/69/583214569.db2.gz YKWQHMSZRLHXJS-HTQZYQBOSA-N 1 3 199.298 -0.149 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC1CC1 852922513 583214683 /nfs/dbraw/zinc/21/46/83/583214683.db2.gz YKWQHMSZRLHXJS-SFYZADRCSA-N 1 3 199.298 -0.149 20 0 ABADHO CCNCC(=O)N[C@@]1(C)CC[NH2+]C1 852927161 583214753 /nfs/dbraw/zinc/21/47/53/583214753.db2.gz DDFCSHQCPUWIIZ-VIFPVBQESA-N 1 3 185.271 -0.536 20 0 ABADHO CCNCC(=O)N(C)CC(C)(C)[NH3+] 852898887 583214858 /nfs/dbraw/zinc/21/48/58/583214858.db2.gz QTWZTXGVUNKNIT-UHFFFAOYSA-N 1 3 187.287 -0.208 20 0 ABADHO CCNCC(=O)NCC1([NH3+])CCCC1 852905949 583214890 /nfs/dbraw/zinc/21/48/90/583214890.db2.gz JBXUQSZLVXWBEC-UHFFFAOYSA-N 1 3 199.298 -0.016 20 0 ABADHO CCNCC(=O)N[C@@H](C)C[NH2+]C 852920051 583214920 /nfs/dbraw/zinc/21/49/20/583214920.db2.gz JNOCUQQZAALBAI-ZETCQYMHSA-N 1 3 173.260 -0.680 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@H](C)NC1CC1 852922514 583215079 /nfs/dbraw/zinc/21/50/79/583215079.db2.gz YKWQHMSZRLHXJS-YUMQZZPRSA-N 1 3 199.298 -0.149 20 0 ABADHO CC[C@@H](C(=O)N[C@@H](C)C[NH3+])N(C)C 863586169 583312050 /nfs/dbraw/zinc/31/20/50/583312050.db2.gz VLOZJLAYJTXIEF-YUMQZZPRSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@H](C(=O)N[C@@H](C)C[NH3+])N(C)C 863586167 583312269 /nfs/dbraw/zinc/31/22/69/583312269.db2.gz VLOZJLAYJTXIEF-JGVFFNPUSA-N 1 3 187.287 -0.210 20 0 ABADHO CC(C)(N)C(=O)N1CC[C@](C)([NH3+])C1 868072841 583335994 /nfs/dbraw/zinc/33/59/94/583335994.db2.gz ZMLVVXHJTMRQFT-VIFPVBQESA-N 1 3 185.271 -0.327 20 0 ABADHO CC(C)[C@H](N)C(=O)N1CC[C@](C)([NH3+])C1 868072465 583336629 /nfs/dbraw/zinc/33/66/29/583336629.db2.gz UUMBYNDVCODPNC-WPRPVWTQSA-N 1 3 199.298 -0.081 20 0 ABADHO CC(C)(N)C(=O)N1CC[C@@](C)([NH3+])C1 868072828 583336669 /nfs/dbraw/zinc/33/66/69/583336669.db2.gz ZMLVVXHJTMRQFT-SECBINFHSA-N 1 3 185.271 -0.327 20 0 ABADHO CC(C)[C@H](N)C(=O)N1CC[C@@](C)([NH3+])C1 868072464 583336747 /nfs/dbraw/zinc/33/67/47/583336747.db2.gz UUMBYNDVCODPNC-WCBMZHEXSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H]([NH3+])CC(=O)N1C[C@@H](C)NC[C@H]1C 870912746 583348680 /nfs/dbraw/zinc/34/86/80/583348680.db2.gz LFRPZLPBGDCWDS-IWSPIJDZSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]1CN(C(=O)C[C@@H](C)[NH3+])[C@@H](C)CN1 870912747 583348913 /nfs/dbraw/zinc/34/89/13/583348913.db2.gz LFRPZLPBGDCWDS-VGMNWLOBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]1CN[C@H](C)CN1C(=O)C[C@@H](C)[NH3+] 870912744 583349330 /nfs/dbraw/zinc/34/93/30/583349330.db2.gz LFRPZLPBGDCWDS-HLTSFMKQSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]1CN(C(=O)C[C@@H](C)[NH3+])[C@H](C)CN1 870912745 583349344 /nfs/dbraw/zinc/34/93/44/583349344.db2.gz LFRPZLPBGDCWDS-HRDYMLBCSA-N 1 3 199.298 -0.068 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 870968737 583349686 /nfs/dbraw/zinc/34/96/86/583349686.db2.gz BSSSLZKBTPWHQK-CIUDSAMLSA-N 1 3 199.298 -0.177 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 870972132 583349871 /nfs/dbraw/zinc/34/98/71/583349871.db2.gz TVXOVEQIMSPXOK-DKXJUACHSA-N 1 3 183.255 -0.813 20 0 ABADHO CC(C)NCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 870963766 583349915 /nfs/dbraw/zinc/34/99/15/583349915.db2.gz RVPLMBNIUDKTNO-DTORHVGOSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@@H]([NH3+])CC(=O)N1C[C@@H](C)N[C@H](C)C1 870936259 583349946 /nfs/dbraw/zinc/34/99/46/583349946.db2.gz FIZLDBWBOLSAIT-IWSPIJDZSA-N 1 3 199.298 -0.068 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 870964404 583349970 /nfs/dbraw/zinc/34/99/70/583349970.db2.gz BSSSLZKBTPWHQK-HRDYMLBCSA-N 1 3 199.298 -0.177 20 0 ABADHO CC(C)NCC(=O)NC[C@H]1C[C@H]([NH3+])C1 870972724 583349974 /nfs/dbraw/zinc/34/99/74/583349974.db2.gz RVPLMBNIUDKTNO-KYZUINATSA-N 1 3 199.298 -0.162 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 870965621 583350021 /nfs/dbraw/zinc/35/00/21/583350021.db2.gz TVXOVEQIMSPXOK-FKSUSPILSA-N 1 3 183.255 -0.813 20 0 ABADHO C[C@H]1CN(C(=O)C[C@@H](C)[NH3+])C[C@H](C)N1 870936260 583350149 /nfs/dbraw/zinc/35/01/49/583350149.db2.gz FIZLDBWBOLSAIT-VGMNWLOBSA-N 1 3 199.298 -0.068 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 870971497 583350287 /nfs/dbraw/zinc/35/02/87/583350287.db2.gz BSSSLZKBTPWHQK-IWSPIJDZSA-N 1 3 199.298 -0.177 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 870964405 583350317 /nfs/dbraw/zinc/35/03/17/583350317.db2.gz BSSSLZKBTPWHQK-YIZRAAEISA-N 1 3 199.298 -0.177 20 0 ABADHO C[C@H]1[C@@H](C)NCCN1C(=O)C[C@@H](C)[NH3+] 876831033 583388319 /nfs/dbraw/zinc/38/83/19/583388319.db2.gz CMAMTCFWKILMJO-HLTSFMKQSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]1NCCN(C(=O)C[C@@H](C)[NH3+])[C@@H]1C 876831034 583388357 /nfs/dbraw/zinc/38/83/57/583388357.db2.gz CMAMTCFWKILMJO-HRDYMLBCSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]([NH3+])CC(=O)N1CCN[C@H](C)[C@H]1C 876831035 583389037 /nfs/dbraw/zinc/38/90/37/583389037.db2.gz CMAMTCFWKILMJO-IWSPIJDZSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]1NCCN(C(=O)C[C@@H](C)[NH3+])[C@H]1C 876831036 583389159 /nfs/dbraw/zinc/38/91/59/583389159.db2.gz CMAMTCFWKILMJO-VGMNWLOBSA-N 1 3 199.298 -0.068 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@H](C)NC1CC1 877006990 583390093 /nfs/dbraw/zinc/39/00/93/583390093.db2.gz YSLVUZVZDRWNNW-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@@H](C)NC1CC1 877006989 583390105 /nfs/dbraw/zinc/39/01/05/583390105.db2.gz YSLVUZVZDRWNNW-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO CCNCC(=O)N(CC)CC[NH3+] 877008040 583390585 /nfs/dbraw/zinc/39/05/85/583390585.db2.gz JSQGRYWVDQGGRI-UHFFFAOYSA-N 1 3 173.260 -0.597 20 0 ABADHO CCNCC(=O)N(C)C[C@H](C)[NH3+] 877095705 583391064 /nfs/dbraw/zinc/39/10/64/583391064.db2.gz OUCIEIOYDPIXCY-ZETCQYMHSA-N 1 3 173.260 -0.599 20 0 ABADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H](N)C1CCC1 877106321 583391140 /nfs/dbraw/zinc/39/11/40/583391140.db2.gz WVCTYWMUUIPVRV-VXNVDRBHSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](C)NC1CC1 877102370 583391157 /nfs/dbraw/zinc/39/11/57/583391157.db2.gz GKJJGOKKNAPSNX-JGVFFNPUSA-N 1 3 199.298 -0.068 20 0 ABADHO CNCC(=O)N(C)C[C@H](C)[NH3+] 877095684 583391180 /nfs/dbraw/zinc/39/11/80/583391180.db2.gz OHFZQUPGQXKTRJ-LURJTMIESA-N 1 3 159.233 -0.989 20 0 ABADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CCCCN1 877095995 583391196 /nfs/dbraw/zinc/39/11/96/583391196.db2.gz WXVWEGFGCBQGRL-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CCNCC(=O)N(C)C[C@@H](C)[NH3+] 877095704 583391216 /nfs/dbraw/zinc/39/12/16/583391216.db2.gz OUCIEIOYDPIXCY-SSDOTTSWSA-N 1 3 173.260 -0.599 20 0 ABADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](N)C1CCC1 877106316 583391221 /nfs/dbraw/zinc/39/12/21/583391221.db2.gz WVCTYWMUUIPVRV-APPZFPTMSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H]([NH3+])CN(C)C(=O)C1(N)CC1 877095617 583391270 /nfs/dbraw/zinc/39/12/70/583391270.db2.gz NAIQXJRAKREXOG-ZCFIWIBFSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@H](NC1CC1)C(=O)N(C)C[C@@H](C)[NH3+] 877102371 583391274 /nfs/dbraw/zinc/39/12/74/583391274.db2.gz GKJJGOKKNAPSNX-SFYZADRCSA-N 1 3 199.298 -0.068 20 0 ABADHO CN[C@@H](C)C(=O)N(C)C[C@H](C)[NH3+] 877106774 583391288 /nfs/dbraw/zinc/39/12/88/583391288.db2.gz ZXDSGKOFTQRJCN-BQBZGAKWSA-N 1 3 173.260 -0.600 20 0 ABADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)NC1CC1 877102369 583391294 /nfs/dbraw/zinc/39/12/94/583391294.db2.gz GKJJGOKKNAPSNX-HTQZYQBOSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H](N)C(=O)N(C)C[C@H](C)[NH3+] 877095395 583391314 /nfs/dbraw/zinc/39/13/14/583391314.db2.gz LDTPUWKCQZQICF-BQBZGAKWSA-N 1 3 173.260 -0.471 20 0 ABADHO CN[C@@H](C)C(=O)N(C)C[C@@H](C)[NH3+] 877106777 583391360 /nfs/dbraw/zinc/39/13/60/583391360.db2.gz ZXDSGKOFTQRJCN-RQJHMYQMSA-N 1 3 173.260 -0.600 20 0 ABADHO CC[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] 877095396 583391385 /nfs/dbraw/zinc/39/13/85/583391385.db2.gz LDTPUWKCQZQICF-RQJHMYQMSA-N 1 3 173.260 -0.471 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@H](C)NC1CC1 877102372 583391408 /nfs/dbraw/zinc/39/14/08/583391408.db2.gz GKJJGOKKNAPSNX-YUMQZZPRSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)C1(N)CC1 877095614 583391427 /nfs/dbraw/zinc/39/14/27/583391427.db2.gz NAIQXJRAKREXOG-LURJTMIESA-N 1 3 171.244 -0.717 20 0 ABADHO CNCC(=O)N(C)C[C@@H](C)[NH3+] 877095686 583391480 /nfs/dbraw/zinc/39/14/80/583391480.db2.gz OHFZQUPGQXKTRJ-ZCFIWIBFSA-N 1 3 159.233 -0.989 20 0 ABADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCCCN1 877095991 583391671 /nfs/dbraw/zinc/39/16/71/583391671.db2.gz WXVWEGFGCBQGRL-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](N)C1CCC1 877106317 583391681 /nfs/dbraw/zinc/39/16/81/583391681.db2.gz WVCTYWMUUIPVRV-CBAPKCEASA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@H](N)C1CCC1 877106319 583391699 /nfs/dbraw/zinc/39/16/99/583391699.db2.gz WVCTYWMUUIPVRV-IONNQARKSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCCCN1 877095992 583391702 /nfs/dbraw/zinc/39/17/02/583391702.db2.gz WXVWEGFGCBQGRL-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCCCN1 877095994 583391721 /nfs/dbraw/zinc/39/17/21/583391721.db2.gz WXVWEGFGCBQGRL-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CCNCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 877166346 583392174 /nfs/dbraw/zinc/39/21/74/583392174.db2.gz SBVZEMFANTXPCT-YUMQZZPRSA-N 1 3 183.255 -0.831 20 0 ABADHO CCNCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C 877173854 583392302 /nfs/dbraw/zinc/39/23/02/583392302.db2.gz KYFPFLLIVMRSBQ-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO CCNCC(=O)N1C[C@H]([NH3+])C[C@@H]1C 877173852 583392327 /nfs/dbraw/zinc/39/23/27/583392327.db2.gz KYFPFLLIVMRSBQ-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO CCNCC(=O)N1C[C@@H]([NH3+])C[C@H]1C 877173853 583392397 /nfs/dbraw/zinc/39/23/97/583392397.db2.gz KYFPFLLIVMRSBQ-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO CCNCC(=O)N1C[C@H]([NH3+])C[C@H]1C 877173851 583392473 /nfs/dbraw/zinc/39/24/73/583392473.db2.gz KYFPFLLIVMRSBQ-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO CCNCC(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 877167942 583392603 /nfs/dbraw/zinc/39/26/03/583392603.db2.gz AFZJBGFCEVDRPR-DTORHVGOSA-N 1 3 197.282 -0.441 20 0 ABADHO CCNCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 877291061 583393207 /nfs/dbraw/zinc/39/32/07/583393207.db2.gz BPHQQEMSDMBCKV-KYZUINATSA-N 1 3 199.298 -0.018 20 0 ABADHO N[C@@H](CC1CC1)C(=O)N1CC[C@H]([NH3+])C1 884020298 583472278 /nfs/dbraw/zinc/47/22/78/583472278.db2.gz UKWGTNLXSNTKTE-IUCAKERBSA-N 1 3 197.282 -0.327 20 0 ABADHO N[C@@H](CC1CC1)C(=O)N[C@H]1CC[NH2+]C1 884015642 583472199 /nfs/dbraw/zinc/47/21/99/583472199.db2.gz AAVOXTJKYGTCJD-IUCAKERBSA-N 1 3 197.282 -0.408 20 0 ABADHO CC[NH2+]CCNC(=O)[C@@H](N)CC1CC1 884024359 583472204 /nfs/dbraw/zinc/47/22/04/583472204.db2.gz PMYORGNFHZKUMJ-VIFPVBQESA-N 1 3 199.298 -0.161 20 0 ABADHO CC(C)(C[NH3+])NC(=O)[C@H](N)CC1CC1 884025807 583472349 /nfs/dbraw/zinc/47/23/49/583472349.db2.gz IQJBDPVTSUOZFI-MRVPVSSYSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@H](N)CC1CC1 884022785 583472374 /nfs/dbraw/zinc/47/23/74/583472374.db2.gz QNFCXXMZURKFKB-IONNQARKSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](C[NH3+])N(C)C(=O)[C@@H](N)CC1CC1 884032181 583472379 /nfs/dbraw/zinc/47/23/79/583472379.db2.gz KQRJXGCIWLAOCE-CBAPKCEASA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H](C[NH3+])N(C)C(=O)[C@H](N)CC1CC1 884032182 583472392 /nfs/dbraw/zinc/47/23/92/583472392.db2.gz KQRJXGCIWLAOCE-IONNQARKSA-N 1 3 199.298 -0.081 20 0 ABADHO CN(CCC[NH3+])C(=O)[C@@H](N)CC1CC1 884037039 583472474 /nfs/dbraw/zinc/47/24/74/583472474.db2.gz OAGDWGITMYANBW-VIFPVBQESA-N 1 3 199.298 -0.079 20 0 ABADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H]([NH3+])C1 884009362 583472527 /nfs/dbraw/zinc/47/25/27/583472527.db2.gz UKWGTNLXSNTKTE-RKDXNWHRSA-N 1 3 197.282 -0.327 20 0 ABADHO CC(C)([NH3+])CNC(=O)[C@H](N)CC1CC1 884038827 583472544 /nfs/dbraw/zinc/47/25/44/583472544.db2.gz UMPYKUUACPNGSU-MRVPVSSYSA-N 1 3 199.298 -0.033 20 0 ABADHO C[NH2+]CCNC(=O)[C@H](N)CC1CC1 884023761 583472552 /nfs/dbraw/zinc/47/25/52/583472552.db2.gz WRYCDJIABKQHRW-MRVPVSSYSA-N 1 3 185.271 -0.551 20 0 ABADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CC[NH2+]C1 884015643 583472559 /nfs/dbraw/zinc/47/25/59/583472559.db2.gz AAVOXTJKYGTCJD-RKDXNWHRSA-N 1 3 197.282 -0.408 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H](N)CC1CC1 884023762 583472582 /nfs/dbraw/zinc/47/25/82/583472582.db2.gz WRYCDJIABKQHRW-QMMMGPOBSA-N 1 3 185.271 -0.551 20 0 ABADHO N[C@H](CC1CC1)C(=O)N1CC[C@H]([NH3+])C1 884020297 583472612 /nfs/dbraw/zinc/47/26/12/583472612.db2.gz UKWGTNLXSNTKTE-DTWKUNHWSA-N 1 3 197.282 -0.327 20 0 ABADHO CC[NH2+]CCNC(=O)[C@H](N)CC1CC1 884024358 583472670 /nfs/dbraw/zinc/47/26/70/583472670.db2.gz PMYORGNFHZKUMJ-SECBINFHSA-N 1 3 199.298 -0.161 20 0 ABADHO CC(C)([NH3+])CNC(=O)[C@@H](N)CC1CC1 884038828 583472692 /nfs/dbraw/zinc/47/26/92/583472692.db2.gz UMPYKUUACPNGSU-QMMMGPOBSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](C[NH3+])N(C)C(=O)[C@@H](N)CC1CC1 884032180 583472707 /nfs/dbraw/zinc/47/27/07/583472707.db2.gz KQRJXGCIWLAOCE-APPZFPTMSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@@H](N)CC1CC1 884022784 583472748 /nfs/dbraw/zinc/47/27/48/583472748.db2.gz QNFCXXMZURKFKB-CBAPKCEASA-N 1 3 199.298 -0.033 20 0 ABADHO N[C@H](CC1CC1)C(=O)N[C@H]1CC[NH2+]C1 884015641 583472778 /nfs/dbraw/zinc/47/27/78/583472778.db2.gz AAVOXTJKYGTCJD-DTWKUNHWSA-N 1 3 197.282 -0.408 20 0 ABADHO N[C@@H](CC1CC1)C(=O)N1CC[C@@H]([NH3+])C1 884009361 583472809 /nfs/dbraw/zinc/47/28/09/583472809.db2.gz UKWGTNLXSNTKTE-BDAKNGLRSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@H](C[NH3+])N(C)C(=O)[C@H](N)CC1CC1 884032183 583472893 /nfs/dbraw/zinc/47/28/93/583472893.db2.gz KQRJXGCIWLAOCE-VXNVDRBHSA-N 1 3 199.298 -0.081 20 0 ABADHO N[C@@H](CC1CC1)C(=O)N[C@@H]1CC[NH2+]C1 884015640 583473059 /nfs/dbraw/zinc/47/30/59/583473059.db2.gz AAVOXTJKYGTCJD-BDAKNGLRSA-N 1 3 197.282 -0.408 20 0 ABADHO CC(C)(C[NH3+])NC(=O)[C@@H](N)CC1CC1 884025808 583473081 /nfs/dbraw/zinc/47/30/81/583473081.db2.gz IQJBDPVTSUOZFI-QMMMGPOBSA-N 1 3 199.298 -0.033 20 0 ABADHO CN(CCC[NH3+])C(=O)[C@H](N)CC1CC1 884037038 583473126 /nfs/dbraw/zinc/47/31/26/583473126.db2.gz OAGDWGITMYANBW-SECBINFHSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C 884347679 583475647 /nfs/dbraw/zinc/47/56/47/583475647.db2.gz BGPXTYCRXNARFT-FSDSQADBSA-N 1 3 185.271 -0.424 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C 884347683 583475948 /nfs/dbraw/zinc/47/59/48/583475948.db2.gz BGPXTYCRXNARFT-VQVTYTSYSA-N 1 3 185.271 -0.424 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@H](N)CC1CC1 884274647 583474530 /nfs/dbraw/zinc/47/45/30/583474530.db2.gz QZKKEZDCLKJASC-HTRCEHHLSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@@H](N)CC1CC1 884269832 583474817 /nfs/dbraw/zinc/47/48/17/583474817.db2.gz ZGFGYDWLGGYYRY-XPUUQOCRSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@@H](N)CC1CC1 884237526 583474939 /nfs/dbraw/zinc/47/49/39/583474939.db2.gz FVPBKPAJMPKLPX-CBAPKCEASA-N 1 3 199.298 -0.175 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@H](N)CC1CC1 884237527 583474953 /nfs/dbraw/zinc/47/49/53/583474953.db2.gz FVPBKPAJMPKLPX-IONNQARKSA-N 1 3 199.298 -0.175 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@H](N)CC1CC1 884253072 583474973 /nfs/dbraw/zinc/47/49/73/583474973.db2.gz ZGFGYDWLGGYYRY-HTRCEHHLSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@@H](N)CC1CC1 884274650 583474999 /nfs/dbraw/zinc/47/49/99/583474999.db2.gz QZKKEZDCLKJASC-XPUUQOCRSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@H](N)CC1CC1 884269831 583475019 /nfs/dbraw/zinc/47/50/19/583475019.db2.gz ZGFGYDWLGGYYRY-POYBYMJQSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@@H](N)CC1CC1 884274649 583475066 /nfs/dbraw/zinc/47/50/66/583475066.db2.gz QZKKEZDCLKJASC-SVRRBLITSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@@H](N)CC1CC1 884245146 583475074 /nfs/dbraw/zinc/47/50/74/583475074.db2.gz QOGHRCQHOFSKHZ-APPZFPTMSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@H](N)CC1CC1 884237528 583475165 /nfs/dbraw/zinc/47/51/65/583475165.db2.gz FVPBKPAJMPKLPX-VXNVDRBHSA-N 1 3 199.298 -0.175 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@H](N)CC1CC1 884245148 583475178 /nfs/dbraw/zinc/47/51/78/583475178.db2.gz QOGHRCQHOFSKHZ-IONNQARKSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@@H](N)CC1CC1 884237525 583475215 /nfs/dbraw/zinc/47/52/15/583475215.db2.gz FVPBKPAJMPKLPX-APPZFPTMSA-N 1 3 199.298 -0.175 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@H](N)CC1CC1 884274648 583475263 /nfs/dbraw/zinc/47/52/63/583475263.db2.gz QZKKEZDCLKJASC-POYBYMJQSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@@H](N)CC1CC1 884253073 583475301 /nfs/dbraw/zinc/47/53/01/583475301.db2.gz ZGFGYDWLGGYYRY-SVRRBLITSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@H](N)CC1CC1 884245149 583475344 /nfs/dbraw/zinc/47/53/44/583475344.db2.gz QOGHRCQHOFSKHZ-VXNVDRBHSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@@H](N)CC1CC1 884245147 583475349 /nfs/dbraw/zinc/47/53/49/583475349.db2.gz QOGHRCQHOFSKHZ-CBAPKCEASA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C 884347681 583475637 /nfs/dbraw/zinc/47/56/37/583475637.db2.gz BGPXTYCRXNARFT-QYNIQEEDSA-N 1 3 185.271 -0.424 20 0 ABADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CN 884348074 583475643 /nfs/dbraw/zinc/47/56/43/583475643.db2.gz NQIAXTSCJWNNDG-PHDIDXHHSA-N 1 3 171.244 -0.813 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C 884347677 583475652 /nfs/dbraw/zinc/47/56/52/583475652.db2.gz BGPXTYCRXNARFT-ACZMJKKPSA-N 1 3 185.271 -0.424 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C 884348271 583475678 /nfs/dbraw/zinc/47/56/78/583475678.db2.gz SEFJMHVEFABMSH-FXQIFTODSA-N 1 3 199.298 -0.034 20 0 ABADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1(N)CC1 884348051 583475683 /nfs/dbraw/zinc/47/56/83/583475683.db2.gz MOXYJCIDHLIXOH-BQBZGAKWSA-N 1 3 197.282 -0.280 20 0 ABADHO CCNCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C 884348181 583475688 /nfs/dbraw/zinc/47/56/88/583475688.db2.gz QGTSSGIXYQOOFD-JGVFFNPUSA-N 1 3 199.298 -0.162 20 0 ABADHO CCNCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C 884348182 583475697 /nfs/dbraw/zinc/47/56/97/583475697.db2.gz QGTSSGIXYQOOFD-SFYZADRCSA-N 1 3 199.298 -0.162 20 0 ABADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1(N)CC1 884348053 583475705 /nfs/dbraw/zinc/47/57/05/583475705.db2.gz MOXYJCIDHLIXOH-RNFRBKRXSA-N 1 3 197.282 -0.280 20 0 ABADHO CC(C)(N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C 884347967 583475750 /nfs/dbraw/zinc/47/57/50/583475750.db2.gz LBEJQKCZEOQCNH-RQJHMYQMSA-N 1 3 199.298 -0.034 20 0 ABADHO CC(C)(N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C 884347964 583475762 /nfs/dbraw/zinc/47/57/62/583475762.db2.gz LBEJQKCZEOQCNH-BQBZGAKWSA-N 1 3 199.298 -0.034 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C 884347678 583475780 /nfs/dbraw/zinc/47/57/80/583475780.db2.gz BGPXTYCRXNARFT-DSYKOEDSSA-N 1 3 185.271 -0.424 20 0 ABADHO CN(CC[NH3+])C(=O)[C@H](N)CC1CC1 884342117 583475787 /nfs/dbraw/zinc/47/57/87/583475787.db2.gz QIAACRUVZGZOSP-MRVPVSSYSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C 884347682 583475791 /nfs/dbraw/zinc/47/57/91/583475791.db2.gz BGPXTYCRXNARFT-RRKCRQDMSA-N 1 3 185.271 -0.424 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C 884348272 583475806 /nfs/dbraw/zinc/47/58/06/583475806.db2.gz SEFJMHVEFABMSH-RNJXMRFFSA-N 1 3 199.298 -0.034 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C 884347680 583475821 /nfs/dbraw/zinc/47/58/21/583475821.db2.gz BGPXTYCRXNARFT-LYFYHCNISA-N 1 3 185.271 -0.424 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)CC1CC1 884297016 583475836 /nfs/dbraw/zinc/47/58/36/583475836.db2.gz JMQQEPGYRBWLCD-IUCAKERBSA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C 884348301 583475842 /nfs/dbraw/zinc/47/58/42/583475842.db2.gz UCZCYOJONNKTGJ-RQJHMYQMSA-N 1 3 185.271 -0.552 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)CC1CC1 884297014 583475860 /nfs/dbraw/zinc/47/58/60/583475860.db2.gz JMQQEPGYRBWLCD-BDAKNGLRSA-N 1 3 199.298 -0.033 20 0 ABADHO CCNCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C 884348183 583475867 /nfs/dbraw/zinc/47/58/67/583475867.db2.gz QGTSSGIXYQOOFD-YUMQZZPRSA-N 1 3 199.298 -0.162 20 0 ABADHO CCNCC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C 884348180 583475874 /nfs/dbraw/zinc/47/58/74/583475874.db2.gz QGTSSGIXYQOOFD-HTQZYQBOSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)CC1CC1 884297017 583475893 /nfs/dbraw/zinc/47/58/93/583475893.db2.gz JMQQEPGYRBWLCD-RKDXNWHRSA-N 1 3 199.298 -0.033 20 0 ABADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CN 884348076 583475897 /nfs/dbraw/zinc/47/58/97/583475897.db2.gz NQIAXTSCJWNNDG-WDSKDSINSA-N 1 3 171.244 -0.813 20 0 ABADHO CNCC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C 884348300 583475904 /nfs/dbraw/zinc/47/59/04/583475904.db2.gz UCZCYOJONNKTGJ-RNFRBKRXSA-N 1 3 185.271 -0.552 20 0 ABADHO CC1(C)[C@@H]([NH3+])C[C@H]1NC(=O)CN 884348073 583475907 /nfs/dbraw/zinc/47/59/07/583475907.db2.gz NQIAXTSCJWNNDG-NTSWFWBYSA-N 1 3 171.244 -0.813 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C 884348273 583475909 /nfs/dbraw/zinc/47/59/09/583475909.db2.gz SEFJMHVEFABMSH-XLPZGREQSA-N 1 3 199.298 -0.034 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C 884347684 583475920 /nfs/dbraw/zinc/47/59/20/583475920.db2.gz BGPXTYCRXNARFT-XVMARJQXSA-N 1 3 185.271 -0.424 20 0 ABADHO CNCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C 884348299 583475925 /nfs/dbraw/zinc/47/59/25/583475925.db2.gz UCZCYOJONNKTGJ-NKWVEPMBSA-N 1 3 185.271 -0.552 20 0 ABADHO CC(C)(N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C 884347965 583475929 /nfs/dbraw/zinc/47/59/29/583475929.db2.gz LBEJQKCZEOQCNH-NKWVEPMBSA-N 1 3 199.298 -0.034 20 0 ABADHO CC(C)(N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C 884347966 583475937 /nfs/dbraw/zinc/47/59/37/583475937.db2.gz LBEJQKCZEOQCNH-RNFRBKRXSA-N 1 3 199.298 -0.034 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@H](N)CC1CC1 884297015 583475945 /nfs/dbraw/zinc/47/59/45/583475945.db2.gz JMQQEPGYRBWLCD-DTWKUNHWSA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C 884348298 583475960 /nfs/dbraw/zinc/47/59/60/583475960.db2.gz UCZCYOJONNKTGJ-BQBZGAKWSA-N 1 3 185.271 -0.552 20 0 ABADHO CN(CC[NH3+])C(=O)[C@@H](N)CC1CC1 884342118 583475964 /nfs/dbraw/zinc/47/59/64/583475964.db2.gz QIAACRUVZGZOSP-QMMMGPOBSA-N 1 3 185.271 -0.469 20 0 ABADHO CC1(C)[C@@H]([NH3+])C[C@H]1NC(=O)C1(N)CC1 884348052 583475985 /nfs/dbraw/zinc/47/59/85/583475985.db2.gz MOXYJCIDHLIXOH-NKWVEPMBSA-N 1 3 197.282 -0.280 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C 884348270 583475989 /nfs/dbraw/zinc/47/59/89/583475989.db2.gz SEFJMHVEFABMSH-BIIVOSGPSA-N 1 3 199.298 -0.034 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C 884358551 583476009 /nfs/dbraw/zinc/47/60/09/583476009.db2.gz SEFJMHVEFABMSH-PRJMDXOYSA-N 1 3 199.298 -0.034 20 0 ABADHO CC1(C)[C@@H](NC(=O)CN)C[C@H]1[NH3+] 884348075 583476015 /nfs/dbraw/zinc/47/60/15/583476015.db2.gz NQIAXTSCJWNNDG-RITPCOANSA-N 1 3 171.244 -0.813 20 0 ABADHO CC1(C)[C@@H](NC(=O)C2(N)CC2)C[C@H]1[NH3+] 884348054 583476029 /nfs/dbraw/zinc/47/60/29/583476029.db2.gz MOXYJCIDHLIXOH-RQJHMYQMSA-N 1 3 197.282 -0.280 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@H](N)CC1CC1 884419973 583476351 /nfs/dbraw/zinc/47/63/51/583476351.db2.gz GQAJUSQEHHHGEJ-IONNQARKSA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)CC1CC1 884419972 583476465 /nfs/dbraw/zinc/47/64/65/583476465.db2.gz GQAJUSQEHHHGEJ-CBAPKCEASA-N 1 3 199.298 -0.162 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@@H](N)CC1CC1 884431966 583476579 /nfs/dbraw/zinc/47/65/79/583476579.db2.gz OEPGOIVSBIKQMN-VIFPVBQESA-N 1 3 199.298 -0.079 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@H](N)CC1CC1 884431965 583476684 /nfs/dbraw/zinc/47/66/84/583476684.db2.gz OEPGOIVSBIKQMN-SECBINFHSA-N 1 3 199.298 -0.079 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)CC1CC1 884419971 583476789 /nfs/dbraw/zinc/47/67/89/583476789.db2.gz GQAJUSQEHHHGEJ-APPZFPTMSA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](N)CC1CC1 884419974 583476959 /nfs/dbraw/zinc/47/69/59/583476959.db2.gz GQAJUSQEHHHGEJ-VXNVDRBHSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@H](N)CC1CC1 884444856 583477221 /nfs/dbraw/zinc/47/72/21/583477221.db2.gz XLQOKCFIQGYEJC-IONNQARKSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H](N)CC1CC1 884444857 583477522 /nfs/dbraw/zinc/47/75/22/583477522.db2.gz XLQOKCFIQGYEJC-VXNVDRBHSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](N)CC1CC1 884444855 583477616 /nfs/dbraw/zinc/47/76/16/583477616.db2.gz XLQOKCFIQGYEJC-CBAPKCEASA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](N)CC1CC1 884444854 583477790 /nfs/dbraw/zinc/47/77/90/583477790.db2.gz XLQOKCFIQGYEJC-APPZFPTMSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)NCCCCCC[NH3+] 137300770 583492870 /nfs/dbraw/zinc/49/28/70/583492870.db2.gz MOJGVLPVPDLNER-QMMMGPOBSA-N 1 3 187.287 -0.031 20 0 ABADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)N 42477064 490015301 /nfs/dbraw/zinc/01/53/01/490015301.db2.gz CADCJHXILRDRHB-HTQZYQBOSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 306235616 490117447 /nfs/dbraw/zinc/11/74/47/490117447.db2.gz GRGBVELWIRDHGJ-NKWVEPMBSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@H](C[NH3+])C(=O)N1CCN[C@H](C)[C@H]1C 306513246 490122441 /nfs/dbraw/zinc/12/24/41/490122441.db2.gz SDRCPJQLKIZNIQ-IWSPIJDZSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@@H]1NCCN(C(=O)[C@H](C)C[NH3+])[C@@H]1C 306513245 490122487 /nfs/dbraw/zinc/12/24/87/490122487.db2.gz SDRCPJQLKIZNIQ-HRDYMLBCSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@H]1[C@@H](C)NCCN1C(=O)[C@H](C)C[NH3+] 306513244 490122667 /nfs/dbraw/zinc/12/26/67/490122667.db2.gz SDRCPJQLKIZNIQ-HLTSFMKQSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@H](N)C(=O)NCC1([NH3+])CCC1 306508681 490122692 /nfs/dbraw/zinc/12/26/92/490122692.db2.gz INMOYZPBQGUSNZ-LURJTMIESA-N 1 3 171.244 -0.669 20 0 ABADHO C[C@@H]1NCCN(C(=O)[C@H](C)C[NH3+])[C@H]1C 306513247 490122835 /nfs/dbraw/zinc/12/28/35/490122835.db2.gz SDRCPJQLKIZNIQ-VGMNWLOBSA-N 1 3 199.298 -0.210 20 0 ABADHO CN(C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 378808275 490138915 /nfs/dbraw/zinc/13/89/15/490138915.db2.gz YGYIDJYWCPOYHF-HLTSFMKQSA-N 1 3 197.282 -0.585 20 0 ABADHO CC(C)C[C@H](N)C(=O)NCC1C[NH2+]C1 380143650 490141392 /nfs/dbraw/zinc/14/13/92/490141392.db2.gz WGJJJABHLBUCLL-VIFPVBQESA-N 1 3 199.298 -0.305 20 0 ABADHO C[NH+](C)CC(C)(C)CNC(=O)CN 19488643 491020983 /nfs/dbraw/zinc/02/09/83/491020983.db2.gz RFILJZMRTTZYMZ-UHFFFAOYSA-N 1 3 187.287 -0.351 20 0 ABADHO C1C[C@@H](N2C[C@@H]3C[NH2+]C[C@@H]3C2)CO1 85282258 491027466 /nfs/dbraw/zinc/02/74/66/491027466.db2.gz BPWHYAMHEJHCLG-KXUCPTDWSA-N 1 3 182.267 -0.074 20 0 ABADHO C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 85283290 491027514 /nfs/dbraw/zinc/02/75/14/491027514.db2.gz NJGBWECZJFRKLA-DJLDLDEBSA-N 1 3 170.256 -0.482 20 0 ABADHO C1C[C@H](N2C[C@H]3C[NH2+]C[C@@H]3C2)CO1 85282261 491027570 /nfs/dbraw/zinc/02/75/70/491027570.db2.gz BPWHYAMHEJHCLG-BBBLOLIVSA-N 1 3 182.267 -0.074 20 0 ABADHO C1C[C@H](N2C[C@@H]3C[NH2+]C[C@@H]3C2)CO1 85282259 491027577 /nfs/dbraw/zinc/02/75/77/491027577.db2.gz BPWHYAMHEJHCLG-AEJSXWLSSA-N 1 3 182.267 -0.074 20 0 ABADHO C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 85283286 491027586 /nfs/dbraw/zinc/02/75/86/491027586.db2.gz NJGBWECZJFRKLA-XHNCKOQMSA-N 1 3 170.256 -0.482 20 0 ABADHO C[C@@H](O)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 85283288 491027590 /nfs/dbraw/zinc/02/75/90/491027590.db2.gz NJGBWECZJFRKLA-HLTSFMKQSA-N 1 3 170.256 -0.482 20 0 ABADHO C[NH2+]CCCNC(=O)[C@H](N)C(C)C 238337335 491045790 /nfs/dbraw/zinc/04/57/90/491045790.db2.gz HMICXMXYBFQSSI-MRVPVSSYSA-N 1 3 187.287 -0.305 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 306463571 491051629 /nfs/dbraw/zinc/05/16/29/491051629.db2.gz HMIGVYZVTZXZNU-WCBMZHEXSA-N 1 3 197.282 -0.454 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 306463568 491051655 /nfs/dbraw/zinc/05/16/55/491051655.db2.gz HMIGVYZVTZXZNU-PSASIEDQSA-N 1 3 197.282 -0.454 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 306463573 491051659 /nfs/dbraw/zinc/05/16/59/491051659.db2.gz HMIGVYZVTZXZNU-WPRPVWTQSA-N 1 3 197.282 -0.454 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 306463570 491051701 /nfs/dbraw/zinc/05/17/01/491051701.db2.gz HMIGVYZVTZXZNU-SCZZXKLOSA-N 1 3 197.282 -0.454 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306485404 491052065 /nfs/dbraw/zinc/05/20/65/491052065.db2.gz IHAMYUVQVZBGMU-FKSUSPILSA-N 1 3 183.255 -0.942 20 0 ABADHO C[C@@H](N)C(=O)NCC1([NH3+])CCC1 306485530 491052105 /nfs/dbraw/zinc/05/21/05/491052105.db2.gz INMOYZPBQGUSNZ-ZCFIWIBFSA-N 1 3 171.244 -0.669 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@H]1CCCCN1 306970746 491057247 /nfs/dbraw/zinc/05/72/47/491057247.db2.gz UIRAJKMFRCVDGQ-JGVFFNPUSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@H]1CCCCN1 306970745 491057263 /nfs/dbraw/zinc/05/72/63/491057263.db2.gz UIRAJKMFRCVDGQ-HTQZYQBOSA-N 1 3 185.271 -0.408 20 0 ABADHO C[NH2+][C@H]1CCN(C(=O)C(C)(C)N)C1 307299213 491060401 /nfs/dbraw/zinc/06/04/01/491060401.db2.gz UYYSRGHVAPHLSY-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO C[NH2+][C@@H]1CCN(C(=O)C(C)(C)N)C1 307299212 491060443 /nfs/dbraw/zinc/06/04/43/491060443.db2.gz UYYSRGHVAPHLSY-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 380142254 491119359 /nfs/dbraw/zinc/11/93/59/491119359.db2.gz VWPSFISIXCKWKA-CIUDSAMLSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 380142261 491119361 /nfs/dbraw/zinc/11/93/61/491119361.db2.gz VWPSFISIXCKWKA-VGMNWLOBSA-N 1 3 199.298 -0.081 20 0 ABADHO C[NH+](C)[C@H](CNC(=O)CN)C1CC1 380140738 491119376 /nfs/dbraw/zinc/11/93/76/491119376.db2.gz VNQDLRIAPDHPJO-MRVPVSSYSA-N 1 3 185.271 -0.599 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 380142262 491119382 /nfs/dbraw/zinc/11/93/82/491119382.db2.gz VWPSFISIXCKWKA-YIZRAAEISA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 380142257 491119385 /nfs/dbraw/zinc/11/93/85/491119385.db2.gz VWPSFISIXCKWKA-HLTSFMKQSA-N 1 3 199.298 -0.081 20 0 ABADHO C[NH+](C)[C@@H](CNC(=O)CN)C1CC1 380140762 491119387 /nfs/dbraw/zinc/11/93/87/491119387.db2.gz VNQDLRIAPDHPJO-QMMMGPOBSA-N 1 3 185.271 -0.599 20 0 ABADHO CCC([NH3+])(CC)CNC(=O)CN 388349871 491119482 /nfs/dbraw/zinc/11/94/82/491119482.db2.gz NZPDKDAXGWFCHB-UHFFFAOYSA-N 1 3 173.260 -0.421 20 0 ABADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)N 389301811 491119560 /nfs/dbraw/zinc/11/95/60/491119560.db2.gz JLVJEGJNADNQPD-YUMQZZPRSA-N 1 3 187.287 -0.033 20 0 ABADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](C)N 389301810 491119577 /nfs/dbraw/zinc/11/95/77/491119577.db2.gz JLVJEGJNADNQPD-JGVFFNPUSA-N 1 3 187.287 -0.033 20 0 ABADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCCN1CCCC1 54110406 1188770129 /nfs/dbraw/zinc/77/01/29/1188770129.db2.gz YNKCSSMOUZVCDL-DTWKUNHWSA-N 1 3 197.282 -0.454 20 0 ABADHO C[C@H](N)C(=O)N(C)CC[NH+]1CCCC1 63052710 1188773549 /nfs/dbraw/zinc/77/35/49/1188773549.db2.gz UZQDYQXBXIDUJL-VIFPVBQESA-N 1 3 199.298 -0.112 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C 306765484 1188801365 /nfs/dbraw/zinc/80/13/65/1188801365.db2.gz VUXPLKRPNYGTKM-DJLDLDEBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 307156099 1188806000 /nfs/dbraw/zinc/80/60/00/1188806000.db2.gz WIOBTKJUPRCAQP-XHNCKOQMSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 307156096 1188806109 /nfs/dbraw/zinc/80/61/09/1188806109.db2.gz WIOBTKJUPRCAQP-HRDYMLBCSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 307156095 1188806159 /nfs/dbraw/zinc/80/61/59/1188806159.db2.gz WIOBTKJUPRCAQP-CIUDSAMLSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 307156098 1188806178 /nfs/dbraw/zinc/80/61/78/1188806178.db2.gz WIOBTKJUPRCAQP-VGMNWLOBSA-N 1 3 199.298 -0.081 20 0 ABADHO CC1([NH3+])CCN(C(=O)C2(N)CC2)CC1 307695088 1188808763 /nfs/dbraw/zinc/80/87/63/1188808763.db2.gz ZCOZDQXQZQCSNW-UHFFFAOYSA-N 1 3 197.282 -0.183 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 307686115 1188808936 /nfs/dbraw/zinc/80/89/36/1188808936.db2.gz CTABARJUNJNEAQ-NKWVEPMBSA-N 1 3 171.244 -0.859 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 307686113 1188809377 /nfs/dbraw/zinc/80/93/77/1188809377.db2.gz CTABARJUNJNEAQ-BQBZGAKWSA-N 1 3 171.244 -0.859 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@H](N)CC(F)F 308642992 1188812392 /nfs/dbraw/zinc/81/23/92/1188812392.db2.gz FUTWSKJLEHPMBF-CRCLSJGQSA-N 1 3 195.213 -0.568 20 0 ABADHO CC[C@H](N)C(=O)NCC[C@@H](C)[NH2+]C 308601108 1188812483 /nfs/dbraw/zinc/81/24/83/1188812483.db2.gz ASWLBSIJNJAEDF-SFYZADRCSA-N 1 3 187.287 -0.162 20 0 ABADHO CC[C@@H](N)C(=O)NCC[C@@H](C)[NH2+]C 308601096 1188812510 /nfs/dbraw/zinc/81/25/10/1188812510.db2.gz ASWLBSIJNJAEDF-HTQZYQBOSA-N 1 3 187.287 -0.162 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H](C)C[NH2+]C 308654990 1188812633 /nfs/dbraw/zinc/81/26/33/1188812633.db2.gz NOQXUJANXYXMKW-YUMQZZPRSA-N 1 3 187.287 -0.305 20 0 ABADHO CC[C@@H](N)C(=O)NCC[C@H](C)[NH2+]C 308601102 1188812676 /nfs/dbraw/zinc/81/26/76/1188812676.db2.gz ASWLBSIJNJAEDF-JGVFFNPUSA-N 1 3 187.287 -0.162 20 0 ABADHO CC[C@H](N)C(=O)NCC[C@H](C)[NH2+]C 308601113 1188812748 /nfs/dbraw/zinc/81/27/48/1188812748.db2.gz ASWLBSIJNJAEDF-YUMQZZPRSA-N 1 3 187.287 -0.162 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 309121449 1188813032 /nfs/dbraw/zinc/81/30/32/1188813032.db2.gz NZCSVCLWLQTVLI-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 309121450 1188813040 /nfs/dbraw/zinc/81/30/40/1188813040.db2.gz NZCSVCLWLQTVLI-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CCc1cnc(CNC(CN)C[NH3+])o1 309566696 1188813316 /nfs/dbraw/zinc/81/33/16/1188813316.db2.gz QXMGEMZVYODAPI-UHFFFAOYSA-N 1 3 198.270 -0.387 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 309121451 1188813434 /nfs/dbraw/zinc/81/34/34/1188813434.db2.gz NZCSVCLWLQTVLI-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 309121452 1188813523 /nfs/dbraw/zinc/81/35/23/1188813523.db2.gz NZCSVCLWLQTVLI-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 379956085 1188818997 /nfs/dbraw/zinc/81/89/97/1188818997.db2.gz GDRZCCXCDLFOQL-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)N)C1 379956099 1188819075 /nfs/dbraw/zinc/81/90/75/1188819075.db2.gz GDRZCCXCDLFOQL-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H](O)[C@H](C)N(C)C[C@@H](O)C[NH3+] 388390318 1188819951 /nfs/dbraw/zinc/81/99/51/1188819951.db2.gz BNYNJSXVMKUNAS-FXQIFTODSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@H](C)[N@H+](C)C[C@@H](O)CN 388390318 1188819955 /nfs/dbraw/zinc/81/99/55/1188819955.db2.gz BNYNJSXVMKUNAS-FXQIFTODSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@H](C)[N@@H+](C)C[C@@H](O)CN 388390318 1188819961 /nfs/dbraw/zinc/81/99/61/1188819961.db2.gz BNYNJSXVMKUNAS-FXQIFTODSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@@H](C)N(C)C[C@H](O)C[NH3+] 388390324 1188820112 /nfs/dbraw/zinc/82/01/12/1188820112.db2.gz BNYNJSXVMKUNAS-GJMOJQLCSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@@H](C)[N@H+](C)C[C@H](O)CN 388390324 1188820116 /nfs/dbraw/zinc/82/01/16/1188820116.db2.gz BNYNJSXVMKUNAS-GJMOJQLCSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@@H](C)[N@@H+](C)C[C@H](O)CN 388390324 1188820122 /nfs/dbraw/zinc/82/01/22/1188820122.db2.gz BNYNJSXVMKUNAS-GJMOJQLCSA-N 1 3 176.260 -0.993 20 0 ABADHO C[NH2+]C[C@@H](C)CNC(=O)C1(N)CC1 393689860 1188821415 /nfs/dbraw/zinc/82/14/15/1188821415.db2.gz JWPPNDMBFJXZBT-SSDOTTSWSA-N 1 3 185.271 -0.551 20 0 ABADHO C[NH2+]C[C@H](C)CNC(=O)C1(N)CC1 393689861 1188822077 /nfs/dbraw/zinc/82/20/77/1188822077.db2.gz JWPPNDMBFJXZBT-ZETCQYMHSA-N 1 3 185.271 -0.551 20 0 ABADHO NOCCC[NH2+]C1CCNCC1 1334742059 1188837164 /nfs/dbraw/zinc/83/71/64/1188837164.db2.gz GUVAICLLIKUKJZ-UHFFFAOYSA-N 1 3 173.260 -0.392 20 0 ABADHO NCC(=O)NC1CC2(CC([NH3+])C2)C1 1343531430 1188839681 /nfs/dbraw/zinc/83/96/81/1188839681.db2.gz KVQSRQBCUJWHDG-UHFFFAOYSA-N 1 3 183.255 -0.669 20 0 ABADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1)N(C)C 1343616576 1188839857 /nfs/dbraw/zinc/83/98/57/1188839857.db2.gz ANGINVKNIPDQJM-IWSPIJDZSA-N 1 3 199.298 -0.068 20 0 ABADHO CCN(C(=O)[C@H](C)N)C1CC[NH2+]CC1 1343640406 1188840142 /nfs/dbraw/zinc/84/01/42/1188840142.db2.gz HBMIPKDCKNITQO-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH3+])C1 1343616532 1188840455 /nfs/dbraw/zinc/84/04/55/1188840455.db2.gz AFTFIWYUKDYWLA-KYZUINATSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](N)C(=O)NC1CC2(CC([NH3+])C2)C1 1343531808 1188840548 /nfs/dbraw/zinc/84/05/48/1188840548.db2.gz NIPOISSIZLVQFL-ACUKJOMKSA-N 1 3 197.282 -0.280 20 0 ABADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH3+])C1)N(C)C 1343616575 1188840740 /nfs/dbraw/zinc/84/07/40/1188840740.db2.gz ANGINVKNIPDQJM-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](N)C(=O)NCCCCCC[NH3+] 34396200 697620031 /nfs/dbraw/zinc/62/00/31/697620031.db2.gz MOJGVLPVPDLNER-MRVPVSSYSA-N 1 3 187.287 -0.031 20 0 ABADHO C[C@H](N)c1cn(CC[NH+](C)C)nn1 167132636 697675405 /nfs/dbraw/zinc/67/54/05/697675405.db2.gz LGJYIVAPLBEKLR-ZETCQYMHSA-N 1 3 183.259 -0.141 20 0 ABADHO C[C@@H](N)c1cn(CC[NH+](C)C)nn1 167132751 697675726 /nfs/dbraw/zinc/67/57/26/697675726.db2.gz LGJYIVAPLBEKLR-SSDOTTSWSA-N 1 3 183.259 -0.141 20 0 ABADHO C[NH2+]C[C@@H]1CCN(C[C@@H](C)O)C1 221300859 697686507 /nfs/dbraw/zinc/68/65/07/697686507.db2.gz YAHNFMIQUDGCQS-BDAKNGLRSA-N 1 3 172.272 -0.092 20 0 ABADHO CC[NH2+]CC(=O)NC[C@H]1CCCN1C 226394324 697692300 /nfs/dbraw/zinc/69/23/00/697692300.db2.gz IWVVLGZHQGWLDA-SECBINFHSA-N 1 3 199.298 -0.194 20 0 ABADHO C[NH2+]CCN(C)C(=O)[C@H](N)CC1CC1 379489604 697896520 /nfs/dbraw/zinc/89/65/20/697896520.db2.gz NVQSMDQFLNSZMF-SECBINFHSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[NH2+]CC(=O)N1CCN[C@@H](C)[C@@H]1C 380018018 697910380 /nfs/dbraw/zinc/91/03/80/697910380.db2.gz VBOUOOHATNDFER-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[NH2+]CC(=O)N1CCN[C@H](C)[C@H]1C 380018019 697910632 /nfs/dbraw/zinc/91/06/32/697910632.db2.gz VBOUOOHATNDFER-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[NH2+]CC(=O)N1CCN[C@H](C)[C@@H]1C 380018016 697910738 /nfs/dbraw/zinc/91/07/38/697910738.db2.gz VBOUOOHATNDFER-BDAKNGLRSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 380269646 697911134 /nfs/dbraw/zinc/91/11/34/697911134.db2.gz VPTUZGVQWIJAHJ-BDAKNGLRSA-N 1 3 199.298 -0.079 20 0 ABADHO CC[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 380269647 697911181 /nfs/dbraw/zinc/91/11/81/697911181.db2.gz VPTUZGVQWIJAHJ-IUCAKERBSA-N 1 3 199.298 -0.079 20 0 ABADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH3+] 380348563 697911802 /nfs/dbraw/zinc/91/18/02/697911802.db2.gz UQAMJJKYNBJWFP-QMMMGPOBSA-N 1 3 187.287 -0.210 20 0 ABADHO CCCN(C)CC(=O)N[C@@H](C)C[NH3+] 380332914 697912005 /nfs/dbraw/zinc/91/20/05/697912005.db2.gz OUJWOZRIDHNEJQ-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[N@H+](CCNC(=O)CN)C(C)C 389713716 698010244 /nfs/dbraw/zinc/01/02/44/698010244.db2.gz NAZVHEAJAIXJCU-UHFFFAOYSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[N@@H+](CCNC(=O)CN)C(C)C 389713716 698010248 /nfs/dbraw/zinc/01/02/48/698010248.db2.gz NAZVHEAJAIXJCU-UHFFFAOYSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[C@@H](N)C(=O)N(C)C[C@H](C)[NH3+] 877102682 698143310 /nfs/dbraw/zinc/14/33/10/698143310.db2.gz LDTPUWKCQZQICF-NKWVEPMBSA-N 1 3 173.260 -0.471 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](C)N 877094745 698143316 /nfs/dbraw/zinc/14/33/16/698143316.db2.gz CVCWRRKYRVBGHZ-NTSWFWBYSA-N 1 3 159.233 -0.861 20 0 ABADHO CC[C@@H](N)C(=O)N(C)C[C@@H](C)[NH3+] 877102683 698143321 /nfs/dbraw/zinc/14/33/21/698143321.db2.gz LDTPUWKCQZQICF-RNFRBKRXSA-N 1 3 173.260 -0.471 20 0 ABADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)N 877094746 698143347 /nfs/dbraw/zinc/14/33/47/698143347.db2.gz CVCWRRKYRVBGHZ-PHDIDXHHSA-N 1 3 159.233 -0.861 20 0 ABADHO C[C@H]([NH3+])CN(C)C(=O)[C@H](C)N 877094748 698143371 /nfs/dbraw/zinc/14/33/71/698143371.db2.gz CVCWRRKYRVBGHZ-WDSKDSINSA-N 1 3 159.233 -0.861 20 0 ABADHO C[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] 877094747 698143389 /nfs/dbraw/zinc/14/33/89/698143389.db2.gz CVCWRRKYRVBGHZ-RITPCOANSA-N 1 3 159.233 -0.861 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C 884358548 698146917 /nfs/dbraw/zinc/14/69/17/698146917.db2.gz SEFJMHVEFABMSH-BWZBUEFSSA-N 1 3 199.298 -0.034 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C 884358550 698147265 /nfs/dbraw/zinc/14/72/65/698147265.db2.gz SEFJMHVEFABMSH-GJMOJQLCSA-N 1 3 199.298 -0.034 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C 884358549 698147283 /nfs/dbraw/zinc/14/72/83/698147283.db2.gz SEFJMHVEFABMSH-CSMHCCOUSA-N 1 3 199.298 -0.034 20 0 ABADHO [NH3+]Cc1ccc(N2CCNCC2)nc1 40538657 132176979 /nfs/dbraw/zinc/17/69/79/132176979.db2.gz AMEWCNJMVUNZOK-UHFFFAOYSA-N 1 3 192.266 -0.050 20 0 ABADHO CN(C)CCN1C[C@H](C[NH3+])CC1=O 19669292 343058152 /nfs/dbraw/zinc/05/81/52/343058152.db2.gz HGBAJJOZTXWJMV-QMMMGPOBSA-N 1 3 185.271 -0.645 20 0 ABADHO CN1CCCN(C(=O)CCC[NH3+])CC1 20217832 343069601 /nfs/dbraw/zinc/06/96/01/343069601.db2.gz GBEIPTURBPHGRY-UHFFFAOYSA-N 1 3 199.298 -0.111 20 0 ABADHO C[NH2+]CCN(C)CCN(C)C 34060553 343109263 /nfs/dbraw/zinc/10/92/63/343109263.db2.gz FAIQJAYIOAMAEG-UHFFFAOYSA-N 1 3 159.277 -0.301 20 0 ABADHO COC[C@H](C)[N@@H+](C)C[C@H](O)CN 42518016 343244922 /nfs/dbraw/zinc/24/49/22/343244922.db2.gz XNXAPYXBXMADAS-JGVFFNPUSA-N 1 3 176.260 -0.727 20 0 ABADHO CC[C@H](O)C[N@@H+]1CC[C@H](N)C1 50243964 343279880 /nfs/dbraw/zinc/27/98/80/343279880.db2.gz GBLCFJZAZUWMLP-YUMQZZPRSA-N 1 3 158.245 -0.210 20 0 ABADHO CC[C@H](O)C[N@H+]1CC[C@H](N)C1 50243964 343279881 /nfs/dbraw/zinc/27/98/81/343279881.db2.gz GBLCFJZAZUWMLP-YUMQZZPRSA-N 1 3 158.245 -0.210 20 0 ABADHO CN(C)C(=O)CCN1CC[C@@H](C[NH3+])C1 50249336 343280624 /nfs/dbraw/zinc/28/06/24/343280624.db2.gz UPUGQSUZCYRZHL-VIFPVBQESA-N 1 3 199.298 -0.255 20 0 ABADHO CN(C)C(=O)CC[N@@H+]1CC[C@@H](CN)C1 50249336 343280625 /nfs/dbraw/zinc/28/06/25/343280625.db2.gz UPUGQSUZCYRZHL-VIFPVBQESA-N 1 3 199.298 -0.255 20 0 ABADHO CN(C)C(=O)CC[N@H+]1CC[C@@H](CN)C1 50249336 343280626 /nfs/dbraw/zinc/28/06/26/343280626.db2.gz UPUGQSUZCYRZHL-VIFPVBQESA-N 1 3 199.298 -0.255 20 0 ABADHO CNC(=[NH2+])NC[C@H]1CCN(C)C1 51691780 343291624 /nfs/dbraw/zinc/29/16/24/343291624.db2.gz HCZBDZMZPLPLGA-SSDOTTSWSA-N 1 3 170.260 -0.318 20 0 ABADHO C[C@H](O)CN(C)CCC[NH3+] 51818729 343294226 /nfs/dbraw/zinc/29/42/26/343294226.db2.gz SBHKORSVRFDQCU-ZETCQYMHSA-N 1 3 146.234 -0.352 20 0 ABADHO CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 82303055 343598603 /nfs/dbraw/zinc/59/86/03/343598603.db2.gz PRYCYONEQVLREQ-VIFPVBQESA-N 1 3 199.298 -0.384 20 0 ABADHO CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 82303055 343598604 /nfs/dbraw/zinc/59/86/04/343598604.db2.gz PRYCYONEQVLREQ-VIFPVBQESA-N 1 3 199.298 -0.384 20 0 ABADHO C1C[C@@H]2[NH2+]CC[C@H]2CN1 39626143 166105783 /nfs/dbraw/zinc/10/57/83/166105783.db2.gz UWQVPLPJLRBXRH-BQBZGAKWSA-N 1 3 126.203 -0.042 20 0 ABADHO C1C[C@@]2(CC[NH2+]2)CN1 91690603 166107371 /nfs/dbraw/zinc/10/73/71/166107371.db2.gz JAUHHUMGLNVJQI-ZCFIWIBFSA-N 1 3 112.176 -0.288 20 0 ABADHO C1C[C@H]2[NH2+]CC[C@H]2CN1 39626145 166108374 /nfs/dbraw/zinc/10/83/74/166108374.db2.gz UWQVPLPJLRBXRH-NKWVEPMBSA-N 1 3 126.203 -0.042 20 0 ABADHO NCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 132901405 343907060 /nfs/dbraw/zinc/90/70/60/343907060.db2.gz OYYNUZYPOWLGLP-DTWKUNHWSA-N 1 3 197.282 -0.312 20 0 ABADHO C1C[C@]2(CC[NH2+]2)CN1 91690602 166108787 /nfs/dbraw/zinc/10/87/87/166108787.db2.gz JAUHHUMGLNVJQI-LURJTMIESA-N 1 3 112.176 -0.288 20 0 ABADHO C1C[C@H]2C[NH2+]C[C@H]2CN1 4203036 166108857 /nfs/dbraw/zinc/10/88/57/166108857.db2.gz JMWPSCUIQIMVQH-NKWVEPMBSA-N 1 3 126.203 -0.185 20 0 ABADHO NCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 132901405 343907061 /nfs/dbraw/zinc/90/70/61/343907061.db2.gz OYYNUZYPOWLGLP-DTWKUNHWSA-N 1 3 197.282 -0.312 20 0 ABADHO C1C[C@H]2[NH2+]CC[C@@H]2CN1 39626149 166109434 /nfs/dbraw/zinc/10/94/34/166109434.db2.gz UWQVPLPJLRBXRH-RNFRBKRXSA-N 1 3 126.203 -0.042 20 0 ABADHO CNCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 132942380 343908289 /nfs/dbraw/zinc/90/82/89/343908289.db2.gz IIJBORTULRXAON-BDAKNGLRSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@H]1C[C@H](NC(=O)CN)CC[N@@H+]1C 132961070 343908659 /nfs/dbraw/zinc/90/86/59/343908659.db2.gz SYROQXUJFCUSHX-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H]1C[C@H](NC(=O)CN)CC[N@H+]1C 132961070 343908660 /nfs/dbraw/zinc/90/86/60/343908660.db2.gz SYROQXUJFCUSHX-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)CN)CC[N@@H+]1C 132961477 343908715 /nfs/dbraw/zinc/90/87/15/343908715.db2.gz SYROQXUJFCUSHX-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)CN)CC[N@H+]1C 132961477 343908716 /nfs/dbraw/zinc/90/87/16/343908716.db2.gz SYROQXUJFCUSHX-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 132961897 343908870 /nfs/dbraw/zinc/90/88/70/343908870.db2.gz AYUOVASSOUASKJ-XHNCKOQMSA-N 1 3 199.298 -0.068 20 0 ABADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 306213667 166378762 /nfs/dbraw/zinc/37/87/62/166378762.db2.gz VCEPICACFDARMU-HTQZYQBOSA-N 1 3 199.298 -0.081 20 0 ABADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 306403940 166378786 /nfs/dbraw/zinc/37/87/86/166378786.db2.gz SQNSYZPWOIIOHK-JGVFFNPUSA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]([NH3+])C1 306213669 166378976 /nfs/dbraw/zinc/37/89/76/166378976.db2.gz VCEPICACFDARMU-JGVFFNPUSA-N 1 3 199.298 -0.081 20 0 ABADHO CC(C)(C)[C@H](N)C(=O)NCC[NH3+] 41043475 166379897 /nfs/dbraw/zinc/37/98/97/166379897.db2.gz DMQNRTDPTDVEOK-ZCFIWIBFSA-N 1 3 173.260 -0.565 20 0 ABADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 306403930 166379927 /nfs/dbraw/zinc/37/99/27/166379927.db2.gz SQNSYZPWOIIOHK-HTQZYQBOSA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)(C[NH3+])C(=O)N1CCCNCC1 132603371 166393959 /nfs/dbraw/zinc/39/39/59/166393959.db2.gz QSOACWHYLOATIO-UHFFFAOYSA-N 1 3 199.298 -0.207 20 0 ABADHO CC(C)(N)C(=O)NCC1([NH3+])CCC1 306574625 166398458 /nfs/dbraw/zinc/39/84/58/166398458.db2.gz RPOCWZUDNHBRCM-UHFFFAOYSA-N 1 3 185.271 -0.279 20 0 ABADHO CC(C)(N)C(=O)NC[C@@H]1CCC[NH2+]1 307665322 166399141 /nfs/dbraw/zinc/39/91/41/166399141.db2.gz AMJBENBTWGOCPZ-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO CC(C)(N)C(=O)N[C@H]1CCC[NH2+]C1 307411219 166399743 /nfs/dbraw/zinc/39/97/43/166399743.db2.gz HBAXELAVJREKRK-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO CC(C)(N)C(=O)NCCCC[NH3+] 40925262 166399958 /nfs/dbraw/zinc/39/99/58/166399958.db2.gz ATSTXMLKHUQWCW-UHFFFAOYSA-N 1 3 173.260 -0.421 20 0 ABADHO CC(C)([NH3+])CNC(=O)C1(N)CCC1 335443386 166402508 /nfs/dbraw/zinc/40/25/08/166402508.db2.gz HILLPGPLAIEVGS-UHFFFAOYSA-N 1 3 185.271 -0.279 20 0 ABADHO CCC[C@@H]1CNCCN1C(=O)C[NH3+] 335608215 167053926 /nfs/dbraw/zinc/05/39/26/167053926.db2.gz GCNNDYQLUAHRHI-MRVPVSSYSA-N 1 3 185.271 -0.454 20 0 ABADHO CCC[C@@](C)(N)C(=O)NCC[NH3+] 40832345 167058076 /nfs/dbraw/zinc/05/80/76/167058076.db2.gz DYMRSKJUQJGSLG-MRVPVSSYSA-N 1 3 173.260 -0.421 20 0 ABADHO CCC[C@H]1CNCCN1C(=O)C[NH3+] 335608216 167090014 /nfs/dbraw/zinc/09/00/14/167090014.db2.gz GCNNDYQLUAHRHI-QMMMGPOBSA-N 1 3 185.271 -0.454 20 0 ABADHO CCC[C@](C)(N)C(=O)NCC[NH3+] 40832344 167094141 /nfs/dbraw/zinc/09/41/41/167094141.db2.gz DYMRSKJUQJGSLG-QMMMGPOBSA-N 1 3 173.260 -0.421 20 0 ABADHO CC[NH+](CC)C[C@@H](C)NC(=O)CN 41680063 167165823 /nfs/dbraw/zinc/16/58/23/167165823.db2.gz PEPBIFTTZZUJIJ-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[NH+](CC)CCNC(=O)[C@H](C)N 19489113 167165936 /nfs/dbraw/zinc/16/59/36/167165936.db2.gz KAUQEGLPHPWUKW-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[NH+](CC)CCNC(=O)CN 19481935 167166285 /nfs/dbraw/zinc/16/62/85/167166285.db2.gz PHWRJLAOLYQOCI-UHFFFAOYSA-N 1 3 173.260 -0.597 20 0 ABADHO CC[NH+](CC)CCNC(=O)C1(N)CC1 83343249 167166351 /nfs/dbraw/zinc/16/63/51/167166351.db2.gz SZJHAVYSSYVWEU-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[NH+](CC)CCCNC(=O)CN 19477354 167166921 /nfs/dbraw/zinc/16/69/21/167166921.db2.gz MSWNAPAGLUDWBG-UHFFFAOYSA-N 1 3 187.287 -0.207 20 0 ABADHO CC[NH+](CC)CCNC(=O)CNC 19428700 167167591 /nfs/dbraw/zinc/16/75/91/167167591.db2.gz QYRHUDRFKJRGBD-UHFFFAOYSA-N 1 3 187.287 -0.336 20 0 ABADHO CC[NH+](CC)CCNC(=O)[C@@H](C)N 19489112 167167871 /nfs/dbraw/zinc/16/78/71/167167871.db2.gz KAUQEGLPHPWUKW-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[NH+](CC)C[C@H](C)NC(=O)CN 41680064 167170357 /nfs/dbraw/zinc/17/03/57/167170357.db2.gz PEPBIFTTZZUJIJ-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO CCN(CCC[NH3+])CCC(=O)NC 51757604 167178931 /nfs/dbraw/zinc/17/89/31/167178931.db2.gz MNOJUOSOFPEJGA-UHFFFAOYSA-N 1 3 187.287 -0.207 20 0 ABADHO CCN(CCC[NH+](C)C)C(=O)CN 76581294 167181074 /nfs/dbraw/zinc/18/10/74/167181074.db2.gz CSEMNBQWMPTOAS-UHFFFAOYSA-N 1 3 187.287 -0.255 20 0 ABADHO CC[NH+]1CCC(CNC(=O)CN)CC1 44526708 167200347 /nfs/dbraw/zinc/20/03/47/167200347.db2.gz XQRQQSDJRPWNHX-UHFFFAOYSA-N 1 3 199.298 -0.207 20 0 ABADHO CC[NH+]1CCC(N(C)C(=O)CN)CC1 36135339 167200659 /nfs/dbraw/zinc/20/06/59/167200659.db2.gz YUSUIMJQHFPQAQ-UHFFFAOYSA-N 1 3 199.298 -0.112 20 0 ABADHO CC[NH+]1CCC(NC(=O)CNC)CC1 37978585 167200921 /nfs/dbraw/zinc/20/09/21/167200921.db2.gz GJSTVDZYMMWPFC-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO CC[NH+]1CCC(NC(=O)[C@@H](C)N)CC1 38098264 167201892 /nfs/dbraw/zinc/20/18/92/167201892.db2.gz IIQFAKDXVLPENV-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[NH+]1CCC(NC(=O)[C@H](C)N)CC1 38098265 167202145 /nfs/dbraw/zinc/20/21/45/167202145.db2.gz IIQFAKDXVLPENV-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[NH+]1CCC(NC(=O)CN)CC1 38098250 167203064 /nfs/dbraw/zinc/20/30/64/167203064.db2.gz WQVOLUXJKBVUAB-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO CCN1CCC(NC(=O)CC[NH3+])CC1 38098256 167203252 /nfs/dbraw/zinc/20/32/52/167203252.db2.gz ICLSCXZURSLXMQ-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CCN1CCC[C@@H]1CNC(=O)CC[NH3+] 22220481 167205511 /nfs/dbraw/zinc/20/55/11/167205511.db2.gz ZQSWHCHIEWNLTQ-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)N 40456466 167206158 /nfs/dbraw/zinc/20/61/58/167206158.db2.gz OEGKMSRBANIYEC-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)N 40456466 167206161 /nfs/dbraw/zinc/20/61/61/167206161.db2.gz OEGKMSRBANIYEC-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CCN1CCC[C@H]1CNC(=O)CC[NH3+] 22220483 167207118 /nfs/dbraw/zinc/20/71/18/167207118.db2.gz ZQSWHCHIEWNLTQ-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO CCN1CCC[C@H](NC(=O)[C@@H](C)[NH3+])C1 40503556 167208115 /nfs/dbraw/zinc/20/81/15/167208115.db2.gz BLJVPLSAEXGJBM-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N 19488464 167208479 /nfs/dbraw/zinc/20/84/79/167208479.db2.gz OEGKMSRBANIYEC-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N 19488464 167208481 /nfs/dbraw/zinc/20/84/81/167208481.db2.gz OEGKMSRBANIYEC-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)N 40456464 167209682 /nfs/dbraw/zinc/20/96/82/167209682.db2.gz OEGKMSRBANIYEC-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)N 40456464 167209683 /nfs/dbraw/zinc/20/96/83/167209683.db2.gz OEGKMSRBANIYEC-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO CCN1CCC[C@H](NC(=O)CC[NH3+])C1 40503542 167209696 /nfs/dbraw/zinc/20/96/96/167209696.db2.gz IILUMMMIXUKLST-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO CCN1CCC[C@@H]1CNC(N)=[NH2+] 53278579 167210484 /nfs/dbraw/zinc/21/04/84/167210484.db2.gz MMJQPHZNGYTMSE-SSDOTTSWSA-N 1 3 170.260 -0.046 20 0 ABADHO CC[N@@H+]1CC[C@@H](CNC(=O)CN)C1 37484133 167216488 /nfs/dbraw/zinc/21/64/88/167216488.db2.gz CBWDSKNNFUJYPM-QMMMGPOBSA-N 1 3 185.271 -0.597 20 0 ABADHO CC[N@H+]1CC[C@@H](CNC(=O)CN)C1 37484133 167216490 /nfs/dbraw/zinc/21/64/90/167216490.db2.gz CBWDSKNNFUJYPM-QMMMGPOBSA-N 1 3 185.271 -0.597 20 0 ABADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N)C1 37484137 167217748 /nfs/dbraw/zinc/21/77/48/167217748.db2.gz MTFQFKGAWQJLCP-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N)C1 37484137 167217750 /nfs/dbraw/zinc/21/77/50/167217750.db2.gz MTFQFKGAWQJLCP-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[N@@H+]1CC[C@H](CNC(=O)CN)C1 37484132 167222687 /nfs/dbraw/zinc/22/26/87/167222687.db2.gz CBWDSKNNFUJYPM-MRVPVSSYSA-N 1 3 185.271 -0.597 20 0 ABADHO CC[N@H+]1CC[C@H](CNC(=O)CN)C1 37484132 167222690 /nfs/dbraw/zinc/22/26/90/167222690.db2.gz CBWDSKNNFUJYPM-MRVPVSSYSA-N 1 3 185.271 -0.597 20 0 ABADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N)C1 37484136 167225444 /nfs/dbraw/zinc/22/54/44/167225444.db2.gz MTFQFKGAWQJLCP-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N)C1 37484136 167225446 /nfs/dbraw/zinc/22/54/46/167225446.db2.gz MTFQFKGAWQJLCP-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CCNCC(=O)NC1CCC([NH3+])CC1 51694763 167257238 /nfs/dbraw/zinc/25/72/38/167257238.db2.gz BPHQQEMSDMBCKV-UHFFFAOYSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[NH2+]CC(=O)N1CCCNCC1 44647210 167257656 /nfs/dbraw/zinc/25/76/56/167257656.db2.gz SPEJGIVBTXYXNF-UHFFFAOYSA-N 1 3 185.271 -0.582 20 0 ABADHO CCNC1(CO)CC[NH2+]CC1 40695538 167260500 /nfs/dbraw/zinc/26/05/00/167260500.db2.gz BLEWBWSARVCXBL-UHFFFAOYSA-N 1 3 158.245 -0.290 20 0 ABADHO CCNCC(=O)NCCCC[NH3+] 44651352 167260522 /nfs/dbraw/zinc/26/05/22/167260522.db2.gz SGBLYQHAYAWOCC-UHFFFAOYSA-N 1 3 173.260 -0.549 20 0 ABADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)N 19488465 167209351 /nfs/dbraw/zinc/20/93/51/167209351.db2.gz OEGKMSRBANIYEC-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)N 19488465 167209354 /nfs/dbraw/zinc/20/93/54/167209354.db2.gz OEGKMSRBANIYEC-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO CCN1CCC[C@H](NC(=O)[C@H](C)[NH3+])C1 40503589 167209417 /nfs/dbraw/zinc/20/94/17/167209417.db2.gz BLJVPLSAEXGJBM-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)NCC[NH3+] 41043478 167630482 /nfs/dbraw/zinc/63/04/82/167630482.db2.gz YTCHXFDKCJQIAQ-BQBZGAKWSA-N 1 3 173.260 -0.565 20 0 ABADHO C[NH+](C)C(C)(C)CNC(=O)CN 40807133 167828280 /nfs/dbraw/zinc/82/82/80/167828280.db2.gz USHAVQRGVQRQAJ-UHFFFAOYSA-N 1 3 173.260 -0.599 20 0 ABADHO CN(C)CCNC(=O)C1([NH3+])CCCC1 37479355 167835722 /nfs/dbraw/zinc/83/57/22/167835722.db2.gz AIKAHNZJWVWYTK-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CN(CC[NH3+])C(=O)C1(N)CCCC1 335398015 167876048 /nfs/dbraw/zinc/87/60/48/167876048.db2.gz ZKSOGNXICLJLAU-UHFFFAOYSA-N 1 3 185.271 -0.325 20 0 ABADHO CNCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 335437512 167985624 /nfs/dbraw/zinc/98/56/24/167985624.db2.gz PLCKHSWXTLLEQE-DTWKUNHWSA-N 1 3 197.282 -0.584 20 0 ABADHO C[NH2+]CC(=O)N1CCN[C@H](C)[C@@H]1C 307074635 167985677 /nfs/dbraw/zinc/98/56/77/167985677.db2.gz NFUNYOPOLGTUPM-SFYZADRCSA-N 1 3 185.271 -0.585 20 0 ABADHO CNCC(=O)N1CCC[C@@H]([NH2+]C)C1 308550069 167985747 /nfs/dbraw/zinc/98/57/47/167985747.db2.gz VCQMGSNKBPDUPS-MRVPVSSYSA-N 1 3 185.271 -0.584 20 0 ABADHO C[NH2+]CCC(=O)N1CCN[C@H](C)[C@H]1C 335623852 167989779 /nfs/dbraw/zinc/98/97/79/167989779.db2.gz WMNPVLYUZFRCQO-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO C[NH2+]CCC(=O)N1CCN[C@H](C)[C@@H]1C 335623843 167990390 /nfs/dbraw/zinc/99/03/90/167990390.db2.gz WMNPVLYUZFRCQO-BDAKNGLRSA-N 1 3 199.298 -0.195 20 0 ABADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)N 335606587 168007511 /nfs/dbraw/zinc/00/75/11/168007511.db2.gz NXJFKBJNIRAUMM-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)N 335606589 168007658 /nfs/dbraw/zinc/00/76/58/168007658.db2.gz NXJFKBJNIRAUMM-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO CNC[C@@]1(OC)CC[NH2+]C1 34516153 168008938 /nfs/dbraw/zinc/00/89/38/168008938.db2.gz QKKGJYAFMUSLSB-ZETCQYMHSA-N 1 3 144.218 -0.416 20 0 ABADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)N 335606583 168013228 /nfs/dbraw/zinc/01/32/28/168013228.db2.gz NXJFKBJNIRAUMM-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)N 335606585 168013289 /nfs/dbraw/zinc/01/32/89/168013289.db2.gz NXJFKBJNIRAUMM-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO CNC[C@]1(OC)CC[NH2+]C1 34516152 168014713 /nfs/dbraw/zinc/01/47/13/168014713.db2.gz QKKGJYAFMUSLSB-SSDOTTSWSA-N 1 3 144.218 -0.416 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1CCCNCC1 54072255 168029653 /nfs/dbraw/zinc/02/96/53/168029653.db2.gz ZESGKPUJTDGXKR-QMMMGPOBSA-N 1 3 185.271 -0.584 20 0 ABADHO C[NH2+][C@@H](C)C(=O)NC1CCN(C)CC1 54072078 168029995 /nfs/dbraw/zinc/02/99/95/168029995.db2.gz PFOMZNNBHBZMNI-QMMMGPOBSA-N 1 3 199.298 -0.195 20 0 ABADHO CN[C@@H](C)C(=O)NC1CCC([NH3+])CC1 54076957 168031137 /nfs/dbraw/zinc/03/11/37/168031137.db2.gz HFPUKKSDBYGHCB-UEJVZZJDSA-N 1 3 199.298 -0.020 20 0 ABADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](N)C(C)C)C1 309018161 168040486 /nfs/dbraw/zinc/04/04/86/168040486.db2.gz VLGNILANCIJMDO-RKDXNWHRSA-N 1 3 199.298 -0.210 20 0 ABADHO C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N)C1 306364780 168040796 /nfs/dbraw/zinc/04/07/96/168040796.db2.gz BHKQNAJRRLEOKJ-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)N)C1 306758506 168041879 /nfs/dbraw/zinc/04/18/79/168041879.db2.gz OLMUNRMOADLTSB-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)N)C1 306597661 168042088 /nfs/dbraw/zinc/04/20/88/168042088.db2.gz OLMUNRMOADLTSB-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO C[NH2+][C@H]1CCN(C(=O)[C@H](N)C(C)C)C1 309018156 168057065 /nfs/dbraw/zinc/05/70/65/168057065.db2.gz VLGNILANCIJMDO-DTWKUNHWSA-N 1 3 199.298 -0.210 20 0 ABADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)N)C1 306758509 168057113 /nfs/dbraw/zinc/05/71/13/168057113.db2.gz OLMUNRMOADLTSB-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](C)N)C1 306597662 168057145 /nfs/dbraw/zinc/05/71/45/168057145.db2.gz OLMUNRMOADLTSB-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 309018158 168057354 /nfs/dbraw/zinc/05/73/54/168057354.db2.gz VLGNILANCIJMDO-IUCAKERBSA-N 1 3 199.298 -0.210 20 0 ABADHO C[NH2+][C@H]1CCCN(C(=O)C(C)(C)N)C1 306364784 168057432 /nfs/dbraw/zinc/05/74/32/168057432.db2.gz BHKQNAJRRLEOKJ-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 309018154 168041566 /nfs/dbraw/zinc/04/15/66/168041566.db2.gz VLGNILANCIJMDO-BDAKNGLRSA-N 1 3 199.298 -0.210 20 0 ABADHO CSCC[C@H](N)C(=O)NCC[NH3+] 41664799 168302814 /nfs/dbraw/zinc/30/28/14/168302814.db2.gz GOSPWQITBVXBQF-LURJTMIESA-N 1 3 191.300 -0.858 20 0 ABADHO C[C@@H](C(N)=O)N1CCC(C[NH3+])CC1 44514430 168330152 /nfs/dbraw/zinc/33/01/52/168330152.db2.gz NAGOYBZUMPJKKM-ZETCQYMHSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@@H](CC[NH+](C)C)NC(=O)CN 49559629 168337120 /nfs/dbraw/zinc/33/71/20/168337120.db2.gz LZPMFRYMPJPWLP-ZETCQYMHSA-N 1 3 173.260 -0.599 20 0 ABADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](C)N 42477062 168337796 /nfs/dbraw/zinc/33/77/96/168337796.db2.gz CADCJHXILRDRHB-JGVFFNPUSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@@H](C[NH3+])C(=O)NC[C@H](C)N(C)C 45108037 168340535 /nfs/dbraw/zinc/34/05/35/168340535.db2.gz GRRNOHMSKVJZSA-YUMQZZPRSA-N 1 3 187.287 -0.353 20 0 ABADHO C[C@@H](C[NH3+])C(=O)N1CCCNCC1 54337907 168340613 /nfs/dbraw/zinc/34/06/13/168340613.db2.gz ZLLLZCHJLYSCJF-QMMMGPOBSA-N 1 3 185.271 -0.597 20 0 ABADHO C[C@@H](C[NH3+])C(=O)NC[C@@H](C)N(C)C 45108035 168340828 /nfs/dbraw/zinc/34/08/28/168340828.db2.gz GRRNOHMSKVJZSA-JGVFFNPUSA-N 1 3 187.287 -0.353 20 0 ABADHO C[C@@H](C[NH3+])C(=O)NC1CCN(C)CC1 44800966 168341377 /nfs/dbraw/zinc/34/13/77/168341377.db2.gz ZEJJMSRBQOGICH-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](C[NH3+])C(=O)N1CCNC(C)(C)C1 335599923 168341744 /nfs/dbraw/zinc/34/17/44/168341744.db2.gz XTICIKRLPIWPRD-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](C[NH3+])C(=O)NCCN(C)C 44795932 168342024 /nfs/dbraw/zinc/34/20/24/168342024.db2.gz WCHPUHLZWOWPIX-ZETCQYMHSA-N 1 3 173.260 -0.741 20 0 ABADHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)N(C)C 37985556 168348558 /nfs/dbraw/zinc/34/85/58/168348558.db2.gz VBXSWHLGASYKJX-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@@H](CNC(=O)[C@H](C)C[NH3+])N(C)C 45108038 168348761 /nfs/dbraw/zinc/34/87/61/168348761.db2.gz GRRNOHMSKVJZSA-SFYZADRCSA-N 1 3 187.287 -0.353 20 0 ABADHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)N(C)C 37985554 168349103 /nfs/dbraw/zinc/34/91/03/168349103.db2.gz VBXSWHLGASYKJX-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@@H](CNC(=O)CN)[NH+](C)C 38089220 168349346 /nfs/dbraw/zinc/34/93/46/168349346.db2.gz ZSJDWYMOPDXYOP-LURJTMIESA-N 1 3 159.233 -0.989 20 0 ABADHO C[C@@H](CNC(=O)[C@@H](C)N)[NH+](C)C 38089248 168349359 /nfs/dbraw/zinc/34/93/59/168349359.db2.gz QDXZSYBYKYFTID-NKWVEPMBSA-N 1 3 173.260 -0.600 20 0 ABADHO C[C@@H](CNC(=O)C(C)(C)N)[NH+](C)C 40924342 168349538 /nfs/dbraw/zinc/34/95/38/168349538.db2.gz COUICIIVEPGHDT-ZETCQYMHSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@@H](N)C(=O)N(C)C1(C[NH3+])CCC1 335438042 168357117 /nfs/dbraw/zinc/35/71/17/168357117.db2.gz SKJFBZOUTGIRTK-SSDOTTSWSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@@H](N)C(=O)NC1CCC([NH3+])CC1 51694749 168357265 /nfs/dbraw/zinc/35/72/65/168357265.db2.gz MKRIRNIGGZGGKW-JECWYVHBSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 62972114 168357527 /nfs/dbraw/zinc/35/75/27/168357527.db2.gz CLGAHSYZQGFOHM-HTQZYQBOSA-N 1 3 185.271 -0.504 20 0 ABADHO C[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1C 44564427 168357702 /nfs/dbraw/zinc/35/77/02/168357702.db2.gz NLLZTKHSOBODPJ-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C 38089249 168357707 /nfs/dbraw/zinc/35/77/07/168357707.db2.gz QDXZSYBYKYFTID-RNFRBKRXSA-N 1 3 173.260 -0.600 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 335388474 168357976 /nfs/dbraw/zinc/35/79/76/168357976.db2.gz VLQCPCFZHVSLLQ-VXNVDRBHSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C 61644919 168358063 /nfs/dbraw/zinc/35/80/63/168358063.db2.gz KQHXASWOXDQUSA-BDAKNGLRSA-N 1 3 199.298 -0.114 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[NH2+]CC1 35738370 168358113 /nfs/dbraw/zinc/35/81/13/168358113.db2.gz OCGHWDKQSQVDIM-SSDOTTSWSA-N 1 3 171.244 -0.845 20 0 ABADHO C[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] 306245327 168358223 /nfs/dbraw/zinc/35/82/23/168358223.db2.gz NOBHMMRBCCOZEV-HTQZYQBOSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 335388471 168358244 /nfs/dbraw/zinc/35/82/44/168358244.db2.gz VLQCPCFZHVSLLQ-APPZFPTMSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 37484899 168358266 /nfs/dbraw/zinc/35/82/66/168358266.db2.gz RPVUIRWXEFCHRS-SFYZADRCSA-N 1 3 185.271 -0.599 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 37484899 168358268 /nfs/dbraw/zinc/35/82/68/168358268.db2.gz RPVUIRWXEFCHRS-SFYZADRCSA-N 1 3 185.271 -0.599 20 0 ABADHO C[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 44526607 168358389 /nfs/dbraw/zinc/35/83/89/168358389.db2.gz MDZARNQGIBZWRI-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 44538817 168358417 /nfs/dbraw/zinc/35/84/17/168358417.db2.gz ZGJNRIDYTCYXGX-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 44538817 168358418 /nfs/dbraw/zinc/35/84/18/168358418.db2.gz ZGJNRIDYTCYXGX-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 335596771 168358430 /nfs/dbraw/zinc/35/84/30/168358430.db2.gz AQOBFSPKZODDMW-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H](N)C(=O)NCCCC[NH+](C)C 41679571 168358465 /nfs/dbraw/zinc/35/84/65/168358465.db2.gz MGUPSPDRYFXABL-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C 335432745 168358475 /nfs/dbraw/zinc/35/84/75/168358475.db2.gz FLSUPFXASFNWDZ-RQJHMYQMSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@@H](N)C(=O)NCCCC[NH3+] 38327589 168358525 /nfs/dbraw/zinc/35/85/25/168358525.db2.gz RHFZJIPFCOZPLW-ZCFIWIBFSA-N 1 3 159.233 -0.811 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 44538813 168358535 /nfs/dbraw/zinc/35/85/35/168358535.db2.gz ZGJNRIDYTCYXGX-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 44538813 168358537 /nfs/dbraw/zinc/35/85/37/168358537.db2.gz ZGJNRIDYTCYXGX-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](N)C(=O)N(C)C1CC([NH3+])C1 335357515 168358574 /nfs/dbraw/zinc/35/85/74/168358574.db2.gz BXQPYOCMXOHYHT-GRQBKTHUSA-N 1 3 171.244 -0.718 20 0 ABADHO C[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C 40807174 168358632 /nfs/dbraw/zinc/35/86/32/168358632.db2.gz JNXYORLOVJETEY-SSDOTTSWSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 62972113 168358773 /nfs/dbraw/zinc/35/87/73/168358773.db2.gz CLGAHSYZQGFOHM-SFYZADRCSA-N 1 3 185.271 -0.504 20 0 ABADHO C[C@@H](N)C(=O)N1CCCC[C@H]1C[NH3+] 306245328 168358886 /nfs/dbraw/zinc/35/88/86/168358886.db2.gz NOBHMMRBCCOZEV-SFYZADRCSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 37484901 168358972 /nfs/dbraw/zinc/35/89/72/168358972.db2.gz RPVUIRWXEFCHRS-HTQZYQBOSA-N 1 3 185.271 -0.599 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 37484901 168358973 /nfs/dbraw/zinc/35/89/73/168358973.db2.gz RPVUIRWXEFCHRS-HTQZYQBOSA-N 1 3 185.271 -0.599 20 0 ABADHO C[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 306526442 168359144 /nfs/dbraw/zinc/35/91/44/168359144.db2.gz URSHTECXLKUJCV-SSDOTTSWSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C 335432744 168359476 /nfs/dbraw/zinc/35/94/76/168359476.db2.gz FLSUPFXASFNWDZ-RNFRBKRXSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@@H]([NH3+])CC(=O)N1CCCNCC1 37476277 168360212 /nfs/dbraw/zinc/36/02/12/168360212.db2.gz VDDGEUBEDIAVTQ-MRVPVSSYSA-N 1 3 185.271 -0.454 20 0 ABADHO C[C@@H]([NH3+])CC(=O)N1CCCN(C)CC1 37476039 168360791 /nfs/dbraw/zinc/36/07/91/168360791.db2.gz MRGMXBAZPSLVFE-SECBINFHSA-N 1 3 199.298 -0.112 20 0 ABADHO C[C@@H]([NH3+])CC(=O)N1CCNC(C)(C)C1 335598982 168361250 /nfs/dbraw/zinc/36/12/50/168361250.db2.gz OUHFFTRMOIHLOO-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CN 307310130 168365793 /nfs/dbraw/zinc/36/57/93/168365793.db2.gz IKTJACICGJNFRT-SFYZADRCSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CN 307310124 168367761 /nfs/dbraw/zinc/36/77/61/168367761.db2.gz IKTJACICGJNFRT-HTQZYQBOSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@@H](NC1CC1)C(=O)N1CC[C@H]([NH3+])C1 335407637 168379068 /nfs/dbraw/zinc/37/90/68/168379068.db2.gz RWSZBCNGGJAYSC-SFYZADRCSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@H]([NH3+])C1 335390667 168379542 /nfs/dbraw/zinc/37/95/42/168379542.db2.gz RWSZBCNGGJAYSC-HTQZYQBOSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@@H](NCC1CC[NH+](C)CC1)C(N)=O 44518294 168382430 /nfs/dbraw/zinc/38/24/30/168382430.db2.gz TWNNXZSAGNMSAY-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](O)CN(C)CCC[NH3+] 51818730 168391653 /nfs/dbraw/zinc/39/16/53/168391653.db2.gz SBHKORSVRFDQCU-SSDOTTSWSA-N 1 3 146.234 -0.352 20 0 ABADHO C[C@@H](O)CN1CC[C@H](C[NH3+])C1 50249321 168394159 /nfs/dbraw/zinc/39/41/59/168394159.db2.gz HFSZRXZSEZVQFC-HTQZYQBOSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@@H](O)C[N@@H+]1CC[C@H](CN)C1 50249321 168394161 /nfs/dbraw/zinc/39/41/61/168394161.db2.gz HFSZRXZSEZVQFC-HTQZYQBOSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@@H](O)C[N@H+]1CC[C@H](CN)C1 50249321 168394163 /nfs/dbraw/zinc/39/41/63/168394163.db2.gz HFSZRXZSEZVQFC-HTQZYQBOSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CC1 307340313 168435686 /nfs/dbraw/zinc/43/56/86/168435686.db2.gz UJCWEOXCULUJAK-SFYZADRCSA-N 1 3 197.282 -0.408 20 0 ABADHO C[C@@H]1CN(C(=O)C2(N)CCC2)C[C@H]1[NH3+] 335379858 168446608 /nfs/dbraw/zinc/44/66/08/168446608.db2.gz JYEKLEVNCATXJH-HTQZYQBOSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@H]1CCCCN1 306929057 168531049 /nfs/dbraw/zinc/53/10/49/168531049.db2.gz ATIVVXHOLMMKQM-HTQZYQBOSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CN 307310127 168553917 /nfs/dbraw/zinc/55/39/17/168553917.db2.gz IKTJACICGJNFRT-JGVFFNPUSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@H]1CCN(C(=O)CN)[C@H](C[NH3+])C1 306449210 168614962 /nfs/dbraw/zinc/61/49/62/168614962.db2.gz ACCUFTXZNHTDSF-YUMQZZPRSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(C)(C)N 306509862 168675940 /nfs/dbraw/zinc/67/59/40/168675940.db2.gz JZIGNHCVBMFLOX-BQBZGAKWSA-N 1 3 185.271 -0.328 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NC1CCC([NH3+])CC1 335040551 169172826 /nfs/dbraw/zinc/17/28/26/169172826.db2.gz XXOISAXEFLYYJG-ABIFROTESA-N 1 3 197.282 -0.280 20 0 ABADHO NCC(=O)NC1CCC([NH3+])CC1 51694751 169174537 /nfs/dbraw/zinc/17/45/37/169174537.db2.gz AKUSLNGNUCNCOX-UHFFFAOYSA-N 1 3 171.244 -0.669 20 0 ABADHO NCC(=O)NC1(C[NH3+])CCCC1 306630754 169174769 /nfs/dbraw/zinc/17/47/69/169174769.db2.gz MPARXYVERZBVEE-UHFFFAOYSA-N 1 3 171.244 -0.667 20 0 ABADHO NCC(=O)NC1CC[NH+](C2CC2)CC1 35222890 169174910 /nfs/dbraw/zinc/17/49/10/169174910.db2.gz AIEABVBIGXYLTI-UHFFFAOYSA-N 1 3 197.282 -0.312 20 0 ABADHO NCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 335662296 169175140 /nfs/dbraw/zinc/17/51/40/169175140.db2.gz IPJRWVGIUFEILY-JGVFFNPUSA-N 1 3 183.255 -0.845 20 0 ABADHO NCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 37485356 169175243 /nfs/dbraw/zinc/17/52/43/169175243.db2.gz UZEGXPYKCBDPLM-QMMMGPOBSA-N 1 3 197.282 -0.454 20 0 ABADHO NCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 37485356 169175245 /nfs/dbraw/zinc/17/52/45/169175245.db2.gz UZEGXPYKCBDPLM-QMMMGPOBSA-N 1 3 197.282 -0.454 20 0 ABADHO NCC(=O)NCC1([NH3+])CCCCC1 306373931 169175540 /nfs/dbraw/zinc/17/55/40/169175540.db2.gz KRXPTXUNMGXLJV-UHFFFAOYSA-N 1 3 185.271 -0.277 20 0 ABADHO NCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 37485355 169175626 /nfs/dbraw/zinc/17/56/26/169175626.db2.gz UZEGXPYKCBDPLM-MRVPVSSYSA-N 1 3 197.282 -0.454 20 0 ABADHO NCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 37485355 169175627 /nfs/dbraw/zinc/17/56/27/169175627.db2.gz UZEGXPYKCBDPLM-MRVPVSSYSA-N 1 3 197.282 -0.454 20 0 ABADHO [NH3+]CCC(=O)N[C@@H]1CCN(C2CC2)C1 44724880 169178790 /nfs/dbraw/zinc/17/87/90/169178790.db2.gz LRGNHDUEZIAQOP-MRVPVSSYSA-N 1 3 197.282 -0.312 20 0 ABADHO [NH3+]CCC(=O)N[C@H]1CCN(C2CC2)C1 44724878 169179413 /nfs/dbraw/zinc/17/94/13/169179413.db2.gz LRGNHDUEZIAQOP-QMMMGPOBSA-N 1 3 197.282 -0.312 20 0 ABADHO [NH3+]CCCCNC(=O)[C@H]1CCCCN1 40832437 169182427 /nfs/dbraw/zinc/18/24/27/169182427.db2.gz QKIDUSZMIKVIOD-SECBINFHSA-N 1 3 199.298 -0.016 20 0 ABADHO [NH3+]CCCCNC(=O)[C@@H]1CCCCN1 40832436 169182690 /nfs/dbraw/zinc/18/26/90/169182690.db2.gz QKIDUSZMIKVIOD-VIFPVBQESA-N 1 3 199.298 -0.016 20 0 ABADHO [NH3+]CCCCNC(=O)CNC1CC1 40832493 169182977 /nfs/dbraw/zinc/18/29/77/169182977.db2.gz LGRWNCWYPUEYFZ-UHFFFAOYSA-N 1 3 185.271 -0.407 20 0 ABADHO NCCC[NH2+][C@@H]1CCC[C@H]1O 51355903 169183932 /nfs/dbraw/zinc/18/39/32/169183932.db2.gz YOGKWXRERXFKBQ-HTQZYQBOSA-N 1 3 158.245 -0.162 20 0 ABADHO [NH3+]CCCN[C@@H]1CCC[C@H]1O 51355903 169183933 /nfs/dbraw/zinc/18/39/33/169183933.db2.gz YOGKWXRERXFKBQ-HTQZYQBOSA-N 1 3 158.245 -0.162 20 0 ABADHO [NH3+]CCCN1CC[C@H](O)C1 61710182 169184217 /nfs/dbraw/zinc/18/42/17/169184217.db2.gz NDZINGHRTXRLEX-ZETCQYMHSA-N 1 3 144.218 -0.598 20 0 ABADHO NC1(C(=O)NCC[NH3+])CCCC1 41043470 169188015 /nfs/dbraw/zinc/18/80/15/169188015.db2.gz AVCXYPMITKXKDL-UHFFFAOYSA-N 1 3 171.244 -0.667 20 0 ABADHO NC1(C(=O)NCC[NH3+])CCCCC1 48596086 169188214 /nfs/dbraw/zinc/18/82/14/169188214.db2.gz HLDBOAPJOPBFNE-UHFFFAOYSA-N 1 3 185.271 -0.277 20 0 ABADHO [NH3+]CCNC(=O)[C@H]1CCCCN1 41043466 169188786 /nfs/dbraw/zinc/18/87/86/169188786.db2.gz JWNFLWFIGIROJT-SSDOTTSWSA-N 1 3 171.244 -0.797 20 0 ABADHO [NH3+]CCNC(=O)[C@@H]1CCCCN1 41043465 169188907 /nfs/dbraw/zinc/18/89/07/169188907.db2.gz JWNFLWFIGIROJT-ZETCQYMHSA-N 1 3 171.244 -0.797 20 0 ABADHO [NH3+]CCN[C@H]1CN2CCC1CC2 37712717 169190040 /nfs/dbraw/zinc/19/00/40/169190040.db2.gz JCKUHZXVLBGZRQ-VIFPVBQESA-N 1 3 169.272 -0.371 20 0 ABADHO [NH3+]CCN[C@@H]1CN2CCC1CC2 37712716 169190579 /nfs/dbraw/zinc/19/05/79/169190579.db2.gz JCKUHZXVLBGZRQ-SECBINFHSA-N 1 3 169.272 -0.371 20 0 ABADHO NCC(=O)N1CCCC[C@H]1CC[NH3+] 308634713 169193630 /nfs/dbraw/zinc/19/36/30/169193630.db2.gz CALJGURPRRPRBK-QMMMGPOBSA-N 1 3 185.271 -0.325 20 0 ABADHO NCC(=O)N1CCCC[C@@H]1CC[NH3+] 308634711 169195147 /nfs/dbraw/zinc/19/51/47/169195147.db2.gz CALJGURPRRPRBK-MRVPVSSYSA-N 1 3 185.271 -0.325 20 0 ABADHO NCc1cn(CC[NH+]2CCCC2)nn1 50224616 169225556 /nfs/dbraw/zinc/22/55/56/169225556.db2.gz RAHYUBILICAMIV-UHFFFAOYSA-N 1 3 195.270 -0.167 20 0 ABADHO N[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)C1CCC1 335398042 169241764 /nfs/dbraw/zinc/24/17/64/169241764.db2.gz DRHCNOMNQQKCMS-RKDXNWHRSA-N 1 3 197.282 -0.408 20 0 ABADHO N[C@@H](C(=O)N[C@H]1CC[NH2+]C1)C1CCC1 335398040 169241831 /nfs/dbraw/zinc/24/18/31/169241831.db2.gz DRHCNOMNQQKCMS-DTWKUNHWSA-N 1 3 197.282 -0.408 20 0 ABADHO NC1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC1 335382270 169251526 /nfs/dbraw/zinc/25/15/26/169251526.db2.gz WVSIJLWUXBNMHB-MRVPVSSYSA-N 1 3 197.282 -0.183 20 0 ABADHO NC1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 306381544 169253001 /nfs/dbraw/zinc/25/30/01/169253001.db2.gz LJHOBLSLKLFMSK-HTQZYQBOSA-N 1 3 197.282 -0.136 20 0 ABADHO NC1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 306381547 169253450 /nfs/dbraw/zinc/25/34/50/169253450.db2.gz LJHOBLSLKLFMSK-SFYZADRCSA-N 1 3 197.282 -0.136 20 0 ABADHO NC1(C(=O)N2CC[C@@H]([NH3+])C2)CCCC1 306521932 169253839 /nfs/dbraw/zinc/25/38/39/169253839.db2.gz OEWXEMRRWGZQID-MRVPVSSYSA-N 1 3 197.282 -0.183 20 0 ABADHO N[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)C1CCC1 335390480 169253948 /nfs/dbraw/zinc/25/39/48/169253948.db2.gz NXARQLNSCFIPIC-RKDXNWHRSA-N 1 3 197.282 -0.327 20 0 ABADHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 306293782 169254041 /nfs/dbraw/zinc/25/40/41/169254041.db2.gz VJNMELMFSPZCBT-BDAKNGLRSA-N 1 3 197.282 -0.312 20 0 ABADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 306314082 169254842 /nfs/dbraw/zinc/25/48/42/169254842.db2.gz VJNMELMFSPZCBT-RKDXNWHRSA-N 1 3 197.282 -0.312 20 0 ABADHO N[C@@H]1C[C@@H]1C(=O)NCC1([NH3+])CCC1 335277147 169258188 /nfs/dbraw/zinc/25/81/88/169258188.db2.gz INMQSEFVUNQNPJ-NKWVEPMBSA-N 1 3 183.255 -0.669 20 0 ABADHO N[C@H](C(=O)N[C@H]1CC[NH2+]C1)C1CCC1 335398041 169261874 /nfs/dbraw/zinc/26/18/74/169261874.db2.gz DRHCNOMNQQKCMS-IUCAKERBSA-N 1 3 197.282 -0.408 20 0 ABADHO N[C@H](C(=O)N[C@@H]1CC[NH2+]C1)C1CCC1 335398039 169261894 /nfs/dbraw/zinc/26/18/94/169261894.db2.gz DRHCNOMNQQKCMS-BDAKNGLRSA-N 1 3 197.282 -0.408 20 0 ABADHO N[C@H](C(=O)N1CC[C@@H]([NH3+])C1)C1CCC1 335390478 169261935 /nfs/dbraw/zinc/26/19/35/169261935.db2.gz NXARQLNSCFIPIC-BDAKNGLRSA-N 1 3 197.282 -0.327 20 0 ABADHO NC1(C(=O)N2CCC[C@H]([NH3+])C2)CCC1 335382271 169272579 /nfs/dbraw/zinc/27/25/79/169272579.db2.gz WVSIJLWUXBNMHB-QMMMGPOBSA-N 1 3 197.282 -0.183 20 0 ABADHO NC1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 306381545 169273523 /nfs/dbraw/zinc/27/35/23/169273523.db2.gz LJHOBLSLKLFMSK-JGVFFNPUSA-N 1 3 197.282 -0.136 20 0 ABADHO NC1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 306381548 169273669 /nfs/dbraw/zinc/27/36/69/169273669.db2.gz LJHOBLSLKLFMSK-YUMQZZPRSA-N 1 3 197.282 -0.136 20 0 ABADHO N[C@@H](C(=O)N1CC[C@H]([NH3+])C1)C1CCC1 335406994 169274178 /nfs/dbraw/zinc/27/41/78/169274178.db2.gz NXARQLNSCFIPIC-DTWKUNHWSA-N 1 3 197.282 -0.327 20 0 ABADHO NC1(C(=O)N2CC[C@H]([NH3+])C2)CCCC1 306289759 169274448 /nfs/dbraw/zinc/27/44/48/169274448.db2.gz OEWXEMRRWGZQID-QMMMGPOBSA-N 1 3 197.282 -0.183 20 0 ABADHO [NH3+][C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 306419260 169274523 /nfs/dbraw/zinc/27/45/23/169274523.db2.gz VJNMELMFSPZCBT-DTWKUNHWSA-N 1 3 197.282 -0.312 20 0 ABADHO [NH3+][C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 306293784 169274601 /nfs/dbraw/zinc/27/46/01/169274601.db2.gz VJNMELMFSPZCBT-IUCAKERBSA-N 1 3 197.282 -0.312 20 0 ABADHO N[C@H](C(=O)N1CC[C@H]([NH3+])C1)C1CCC1 335406995 169274674 /nfs/dbraw/zinc/27/46/74/169274674.db2.gz NXARQLNSCFIPIC-IUCAKERBSA-N 1 3 197.282 -0.327 20 0 ABADHO [NH3+][C@H]1C[C@@H](C(=O)N2CCCNCC2)C1 335479395 169276746 /nfs/dbraw/zinc/27/67/46/169276746.db2.gz PRXPDPYCNVRNKK-DTORHVGOSA-N 1 3 197.282 -0.454 20 0 ABADHO O=C([C@H]1CCC[NH2+]1)N1CCCNCC1 35738390 169361876 /nfs/dbraw/zinc/36/18/76/169361876.db2.gz JRIAGVNMMOQQPH-SECBINFHSA-N 1 3 197.282 -0.440 20 0 ABADHO O=C([C@@H]1CCC[NH2+]1)N1CCCNCC1 35738391 169362241 /nfs/dbraw/zinc/36/22/41/169362241.db2.gz JRIAGVNMMOQQPH-VIFPVBQESA-N 1 3 197.282 -0.440 20 0 ABADHO [NH3+]CCC(=O)NCCN1CCCCC1 49575232 171153384 /nfs/dbraw/zinc/15/33/84/171153384.db2.gz XMEJCFDAVFBZSY-UHFFFAOYSA-N 1 3 199.298 -0.063 20 0 ABADHO NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] 307281508 171178596 /nfs/dbraw/zinc/17/85/96/171178596.db2.gz KCBGYRISIXQMIP-HTQZYQBOSA-N 1 3 185.271 -0.421 20 0 ABADHO NCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] 307281510 171178598 /nfs/dbraw/zinc/17/85/98/171178598.db2.gz KCBGYRISIXQMIP-SFYZADRCSA-N 1 3 185.271 -0.421 20 0 ABADHO NCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] 307281772 171178628 /nfs/dbraw/zinc/17/86/28/171178628.db2.gz KCBGYRISIXQMIP-YUMQZZPRSA-N 1 3 185.271 -0.421 20 0 ABADHO NCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] 307281509 171179168 /nfs/dbraw/zinc/17/91/68/171179168.db2.gz KCBGYRISIXQMIP-JGVFFNPUSA-N 1 3 185.271 -0.421 20 0 ABADHO NCC(=O)N1CCCC[C@@H]1C[NH3+] 307723920 171180333 /nfs/dbraw/zinc/18/03/33/171180333.db2.gz WNXGGYYVRGZYLU-SSDOTTSWSA-N 1 3 171.244 -0.715 20 0 ABADHO NCC(=O)N1CCCC[C@H]1C[NH3+] 307723921 171180584 /nfs/dbraw/zinc/18/05/84/171180584.db2.gz WNXGGYYVRGZYLU-ZETCQYMHSA-N 1 3 171.244 -0.715 20 0 ABADHO CN(C)C(=O)CC[N@@H+]1CCCNCC1 37897517 171192554 /nfs/dbraw/zinc/19/25/54/171192554.db2.gz YFENILLILHVMAW-UHFFFAOYSA-N 1 3 199.298 -0.240 20 0 ABADHO CN(C)C(=O)CC[N@H+]1CCCNCC1 37897517 171192556 /nfs/dbraw/zinc/19/25/56/171192556.db2.gz YFENILLILHVMAW-UHFFFAOYSA-N 1 3 199.298 -0.240 20 0 ABADHO NC1(C(=O)N[C@H]2CCC[NH2+]C2)CCC1 335396957 171202414 /nfs/dbraw/zinc/20/24/14/171202414.db2.gz BZYMLAGRFKNMFH-QMMMGPOBSA-N 1 3 197.282 -0.264 20 0 ABADHO N[C@H]1C[C@H]1C(=O)N1CCC(C[NH3+])CC1 335507265 171203520 /nfs/dbraw/zinc/20/35/20/171203520.db2.gz MJXFSXHOLBCJRH-BDAKNGLRSA-N 1 3 197.282 -0.469 20 0 ABADHO [NH3+]CCC(=O)N1CCN2CCC[C@@H]2C1 37812605 171216951 /nfs/dbraw/zinc/21/69/51/171216951.db2.gz FRKXYUGMKVFGOW-SECBINFHSA-N 1 3 197.282 -0.358 20 0 ABADHO [NH3+]CCC(=O)N1CCN2CCC[C@H]2C1 37812606 171217066 /nfs/dbraw/zinc/21/70/66/171217066.db2.gz FRKXYUGMKVFGOW-VIFPVBQESA-N 1 3 197.282 -0.358 20 0 ABADHO CN1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 50458471 171218388 /nfs/dbraw/zinc/21/83/88/171218388.db2.gz PXRBIWXJAVMWCH-BDAKNGLRSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCCNCC1 165125457 344258577 /nfs/dbraw/zinc/25/85/77/344258577.db2.gz OWLVJUNFUSMPCD-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCCNCC1 165125585 344258620 /nfs/dbraw/zinc/25/86/20/344258620.db2.gz OWLVJUNFUSMPCD-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H]1CN(C(=O)C[NH3+])C[C@@H](C)N1 199599895 344361745 /nfs/dbraw/zinc/36/17/45/344361745.db2.gz QGKRCKLJPUJYNP-RNFRBKRXSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H]1CN(C(=O)C[NH3+])C[C@H](C)N1 199599881 344361752 /nfs/dbraw/zinc/36/17/52/344361752.db2.gz QGKRCKLJPUJYNP-BQBZGAKWSA-N 1 3 171.244 -0.846 20 0 ABADHO CNC(=O)[C@H]1CCC[N@@H+](CCN)C1 219158562 344420541 /nfs/dbraw/zinc/42/05/41/344420541.db2.gz IGXTWYNDZHIRNH-QMMMGPOBSA-N 1 3 185.271 -0.597 20 0 ABADHO CNC(=O)[C@@H]1CCC[N@H+](CCN)C1 219158481 344420690 /nfs/dbraw/zinc/42/06/90/344420690.db2.gz IGXTWYNDZHIRNH-MRVPVSSYSA-N 1 3 185.271 -0.597 20 0 ABADHO CNC(=O)[C@@H]1CCC[N@@H+](CCN)C1 219158481 344420691 /nfs/dbraw/zinc/42/06/91/344420691.db2.gz IGXTWYNDZHIRNH-MRVPVSSYSA-N 1 3 185.271 -0.597 20 0 ABADHO NCC(=O)NCC1CC[NH2+]CC1 238603874 344815294 /nfs/dbraw/zinc/81/52/94/344815294.db2.gz FDZLPZHDVPVFNH-UHFFFAOYSA-N 1 3 171.244 -0.939 20 0 ABADHO CNC(=O)[C@H]1CCC[N@@H+](C[C@H](C)N)C1 299961111 344960586 /nfs/dbraw/zinc/96/05/86/344960586.db2.gz CEBPPVLENMWTRS-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 306262190 345152278 /nfs/dbraw/zinc/15/22/78/345152278.db2.gz LTAQVBQKUUESJI-DTWKUNHWSA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 306262194 345152285 /nfs/dbraw/zinc/15/22/85/345152285.db2.gz LTAQVBQKUUESJI-RKDXNWHRSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H]1CN(C(=O)CN)CC[C@H]1[NH3+] 306266057 345156100 /nfs/dbraw/zinc/15/61/00/345156100.db2.gz DNXIQPPHXKHIJG-NKWVEPMBSA-N 1 3 171.244 -0.859 20 0 ABADHO NC1(C(=O)N2CC[C@H]([NH3+])C2)CC1 306287872 345170727 /nfs/dbraw/zinc/17/07/27/345170727.db2.gz LHPLAKRSUFOWRI-LURJTMIESA-N 1 3 169.228 -0.963 20 0 ABADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 306371870 345240275 /nfs/dbraw/zinc/24/02/75/345240275.db2.gz PKCCVUMHIMFLMN-RNFRBKRXSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 306545973 345420281 /nfs/dbraw/zinc/42/02/81/345420281.db2.gz DVGLDWFGHIJARE-IONNQARKSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 306577186 345454822 /nfs/dbraw/zinc/45/48/22/345454822.db2.gz UQVNWTINFKBBII-SSDOTTSWSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 307177589 345867956 /nfs/dbraw/zinc/86/79/56/345867956.db2.gz IHUVXJLNHUWMJB-HTQZYQBOSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 307177590 345868034 /nfs/dbraw/zinc/86/80/34/345868034.db2.gz IHUVXJLNHUWMJB-SFYZADRCSA-N 1 3 185.271 -0.408 20 0 ABADHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 307255653 345927454 /nfs/dbraw/zinc/92/74/54/345927454.db2.gz BLBNHMNBJVXWHO-RKDXNWHRSA-N 1 3 197.282 -0.489 20 0 ABADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CN 307310133 345962317 /nfs/dbraw/zinc/96/23/17/345962317.db2.gz IKTJACICGJNFRT-YUMQZZPRSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 307461287 346054429 /nfs/dbraw/zinc/05/44/29/346054429.db2.gz FSWXLEBMUNIBGQ-BQBZGAKWSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@H](C[NH3+])NC(=O)C(C)(C)N 307567174 346117707 /nfs/dbraw/zinc/11/77/07/346117707.db2.gz PUILVMKEMLHGPQ-RXMQYKEDSA-N 1 3 159.233 -0.813 20 0 ABADHO C[NH2+]CC(=O)N1CCNC(C)(C)C1 335597693 346407907 /nfs/dbraw/zinc/40/79/07/346407907.db2.gz GDTZRTPREOSNSP-UHFFFAOYSA-N 1 3 185.271 -0.584 20 0 ABADHO COCC[C@@H](C)[N@H+](C)C[C@H](O)CN 379368695 346508149 /nfs/dbraw/zinc/50/81/49/346508149.db2.gz YXCNCRRZTRZNGE-RKDXNWHRSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@@H](C)[N@@H+](C)C[C@H](O)CN 379368695 346508151 /nfs/dbraw/zinc/50/81/51/346508151.db2.gz YXCNCRRZTRZNGE-RKDXNWHRSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@@H](C)N(C)C[C@H](O)C[NH3+] 379368695 346508152 /nfs/dbraw/zinc/50/81/52/346508152.db2.gz YXCNCRRZTRZNGE-RKDXNWHRSA-N 1 3 190.287 -0.337 20 0 ABADHO CNCC(=O)NCC[C@H](C)[NH3+] 379338384 346502932 /nfs/dbraw/zinc/50/29/32/346502932.db2.gz JGLFEMYEHZXQGE-LURJTMIESA-N 1 3 159.233 -0.941 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 638927461 347496601 /nfs/dbraw/zinc/49/66/01/347496601.db2.gz WUJHHCWOYIKOIX-XHNCKOQMSA-N 1 3 197.282 -0.443 20 0 ABADHO CNCC(=O)N1C[C@@H]([NH3+])C[C@H]1C 638945365 347498128 /nfs/dbraw/zinc/49/81/28/347498128.db2.gz FHJUYWLJUQGTLK-RQJHMYQMSA-N 1 3 171.244 -0.846 20 0 ABADHO CN[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C1 655412408 409407632 /nfs/dbraw/zinc/40/76/32/409407632.db2.gz RUXYQFDTBGQVRQ-NKWVEPMBSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H]1NC[C@H](CC[NH3+])O1 536954327 325670055 /nfs/dbraw/zinc/67/00/55/325670055.db2.gz PNSANXOKAJVBRB-WDSKDSINSA-N 1 3 130.191 -0.330 20 0 ABADHO C[C@@H]1NC[C@@H](CC[NH3+])O1 536954324 325670074 /nfs/dbraw/zinc/67/00/74/325670074.db2.gz PNSANXOKAJVBRB-PHDIDXHHSA-N 1 3 130.191 -0.330 20 0 ABADHO CN(C)CCN1C[C@@H](C[NH3+])CC1=O 19669290 343058104 /nfs/dbraw/zinc/05/81/04/343058104.db2.gz HGBAJJOZTXWJMV-MRVPVSSYSA-N 1 3 185.271 -0.645 20 0 ABADHO CC1(C)OCC(CN)(C[NH3+])CO1 34101270 343110445 /nfs/dbraw/zinc/11/04/45/343110445.db2.gz JHLRQPKEOLTCOG-UHFFFAOYSA-N 1 3 174.244 -0.327 20 0 ABADHO CC(C)[NH+]1CCC(NC(=O)CN)CC1 37041679 343157813 /nfs/dbraw/zinc/15/78/13/343157813.db2.gz ICNMEOLSYVRNDE-UHFFFAOYSA-N 1 3 199.298 -0.066 20 0 ABADHO CN1CCC(NC(=O)CCC[NH3+])CC1 37267587 343164668 /nfs/dbraw/zinc/16/46/68/343164668.db2.gz JSZKNVFGQCAKOI-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1CCCNCC1 37476276 343170376 /nfs/dbraw/zinc/17/03/76/343170376.db2.gz VDDGEUBEDIAVTQ-QMMMGPOBSA-N 1 3 185.271 -0.454 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1CCCN(C)CC1 37476038 343170511 /nfs/dbraw/zinc/17/05/11/343170511.db2.gz MRGMXBAZPSLVFE-VIFPVBQESA-N 1 3 199.298 -0.112 20 0 ABADHO CN(CCC[NH3+])CCC(=O)N(C)C 37897721 343179998 /nfs/dbraw/zinc/17/99/98/343179998.db2.gz XKCACTVFHFQKOY-UHFFFAOYSA-N 1 3 187.287 -0.255 20 0 ABADHO C[N@@H+](CC1CC1)C[C@H](O)CN 37925348 343181599 /nfs/dbraw/zinc/18/15/99/343181599.db2.gz UYEBLKPCIBQJMI-MRVPVSSYSA-N 1 3 158.245 -0.352 20 0 ABADHO C[N@H+](CC1CC1)C[C@H](O)CN 37925348 343181601 /nfs/dbraw/zinc/18/16/01/343181601.db2.gz UYEBLKPCIBQJMI-MRVPVSSYSA-N 1 3 158.245 -0.352 20 0 ABADHO CN(CC1CC1)C[C@H](O)C[NH3+] 37925348 343181603 /nfs/dbraw/zinc/18/16/03/343181603.db2.gz UYEBLKPCIBQJMI-MRVPVSSYSA-N 1 3 158.245 -0.352 20 0 ABADHO C[N@@H+](CC1CC1)C[C@@H](O)CN 37925349 343182079 /nfs/dbraw/zinc/18/20/79/343182079.db2.gz UYEBLKPCIBQJMI-QMMMGPOBSA-N 1 3 158.245 -0.352 20 0 ABADHO C[N@H+](CC1CC1)C[C@@H](O)CN 37925349 343182083 /nfs/dbraw/zinc/18/20/83/343182083.db2.gz UYEBLKPCIBQJMI-QMMMGPOBSA-N 1 3 158.245 -0.352 20 0 ABADHO CN(CC1CC1)C[C@@H](O)C[NH3+] 37925349 343182084 /nfs/dbraw/zinc/18/20/84/343182084.db2.gz UYEBLKPCIBQJMI-QMMMGPOBSA-N 1 3 158.245 -0.352 20 0 ABADHO CN1CCC[C@H](NC(=O)CC[NH3+])C1 40673661 343220468 /nfs/dbraw/zinc/22/04/68/343220468.db2.gz GDOQDDGGGGMZFZ-QMMMGPOBSA-N 1 3 185.271 -0.454 20 0 ABADHO CN1CCC[C@@H](NC(=O)CC[NH3+])C1 40673662 343220691 /nfs/dbraw/zinc/22/06/91/343220691.db2.gz GDOQDDGGGGMZFZ-MRVPVSSYSA-N 1 3 185.271 -0.454 20 0 ABADHO CC(C)[C@H](N)C(=O)NCC[NH3+] 40832320 343223060 /nfs/dbraw/zinc/22/30/60/343223060.db2.gz BJIFQAPRKWAJES-LURJTMIESA-N 1 3 159.233 -0.955 20 0 ABADHO C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 40922643 343224029 /nfs/dbraw/zinc/22/40/29/343224029.db2.gz QTSDFXQZKDVWQA-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 40922643 343224032 /nfs/dbraw/zinc/22/40/32/343224032.db2.gz QTSDFXQZKDVWQA-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 40922645 343224047 /nfs/dbraw/zinc/22/40/47/343224047.db2.gz QTSDFXQZKDVWQA-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO C[N@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 40922645 343224050 /nfs/dbraw/zinc/22/40/50/343224050.db2.gz QTSDFXQZKDVWQA-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(C)(C)[NH3+] 40926075 343224771 /nfs/dbraw/zinc/22/47/71/343224771.db2.gz MGIRLRNQAIYENH-UHFFFAOYSA-N 1 3 102.181 -0.057 20 0 ABADHO C[C@H](CC(N)=O)NCCC[NH+](C)C 41204047 343231823 /nfs/dbraw/zinc/23/18/23/343231823.db2.gz BYYQKXVQXUXCTR-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO C[C@@H](CC(N)=O)NCCC[NH+](C)C 41204045 343231936 /nfs/dbraw/zinc/23/19/36/343231936.db2.gz BYYQKXVQXUXCTR-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO COC[C@H](C)[N@H+](C)C[C@H](O)CN 42518016 343244919 /nfs/dbraw/zinc/24/49/19/343244919.db2.gz XNXAPYXBXMADAS-JGVFFNPUSA-N 1 3 176.260 -0.727 20 0 ABADHO COC[C@@H](C)[N@H+](C)C[C@H](O)CN 42518017 343244978 /nfs/dbraw/zinc/24/49/78/343244978.db2.gz XNXAPYXBXMADAS-HTQZYQBOSA-N 1 3 176.260 -0.727 20 0 ABADHO COC[C@@H](C)[N@@H+](C)C[C@H](O)CN 42518017 343244981 /nfs/dbraw/zinc/24/49/81/343244981.db2.gz XNXAPYXBXMADAS-HTQZYQBOSA-N 1 3 176.260 -0.727 20 0 ABADHO C[NH2+]CCC(=O)NCCN(C)C 43599551 343256180 /nfs/dbraw/zinc/25/61/80/343256180.db2.gz HQMFXRVSNRZSIY-UHFFFAOYSA-N 1 3 173.260 -0.726 20 0 ABADHO C[NH2+]CCC(=O)N1CCCN(C)CC1 43599952 343256650 /nfs/dbraw/zinc/25/66/50/343256650.db2.gz VNKDBWLBAONWLB-UHFFFAOYSA-N 1 3 199.298 -0.240 20 0 ABADHO C[C@H](C(N)=O)N1CCC(C[NH3+])CC1 44514432 343267128 /nfs/dbraw/zinc/26/71/28/343267128.db2.gz NAGOYBZUMPJKKM-SSDOTTSWSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H](O)CN1CC[C@H](C[NH3+])C1 50249319 343280563 /nfs/dbraw/zinc/28/05/63/343280563.db2.gz HFSZRXZSEZVQFC-JGVFFNPUSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@H](O)C[N@@H+]1CC[C@H](CN)C1 50249319 343280565 /nfs/dbraw/zinc/28/05/65/343280565.db2.gz HFSZRXZSEZVQFC-JGVFFNPUSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@H](O)C[N@H+]1CC[C@H](CN)C1 50249319 343280568 /nfs/dbraw/zinc/28/05/68/343280568.db2.gz HFSZRXZSEZVQFC-JGVFFNPUSA-N 1 3 158.245 -0.352 20 0 ABADHO CN(C)C(=O)CCN1CC[C@H](C[NH3+])C1 50249334 343280591 /nfs/dbraw/zinc/28/05/91/343280591.db2.gz UPUGQSUZCYRZHL-SECBINFHSA-N 1 3 199.298 -0.255 20 0 ABADHO CN(C)C(=O)CC[N@@H+]1CC[C@H](CN)C1 50249334 343280592 /nfs/dbraw/zinc/28/05/92/343280592.db2.gz UPUGQSUZCYRZHL-SECBINFHSA-N 1 3 199.298 -0.255 20 0 ABADHO CN(C)C(=O)CC[N@H+]1CC[C@H](CN)C1 50249334 343280593 /nfs/dbraw/zinc/28/05/93/343280593.db2.gz UPUGQSUZCYRZHL-SECBINFHSA-N 1 3 199.298 -0.255 20 0 ABADHO CNC(=[NH2+])NC[C@@H]1CCN(C)C1 51691778 343291972 /nfs/dbraw/zinc/29/19/72/343291972.db2.gz HCZBDZMZPLPLGA-ZETCQYMHSA-N 1 3 170.260 -0.318 20 0 ABADHO CNCC(=O)NC1CCC([NH3+])CC1 51694836 343292222 /nfs/dbraw/zinc/29/22/22/343292222.db2.gz FMPVXBKALPDNRN-UHFFFAOYSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H](N)C(=O)NC1CCC([NH3+])CC1 51694737 343292335 /nfs/dbraw/zinc/29/23/35/343292335.db2.gz MKRIRNIGGZGGKW-KKMMWDRVSA-N 1 3 185.271 -0.280 20 0 ABADHO CN(CCNC(=O)CCC[NH3+])C1CC1 59931349 343349156 /nfs/dbraw/zinc/34/91/56/343349156.db2.gz HLTBVNDFSYZIEF-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CN(CCNC(=O)CC[NH3+])C1CC1 59931344 343349208 /nfs/dbraw/zinc/34/92/08/343349208.db2.gz PHRYIHYASYZNDK-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO C[NH2+]CC(=O)NCCN(C)C1CC1 59931442 343349271 /nfs/dbraw/zinc/34/92/71/343349271.db2.gz SYHSJSLJEWYUGC-UHFFFAOYSA-N 1 3 185.271 -0.584 20 0 ABADHO C[C@@H](CNC(=O)CN)C[NH+]1CCCC1 59930708 343349284 /nfs/dbraw/zinc/34/92/84/343349284.db2.gz GJCHSMSSISGOFI-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO C[C@H](CNC(=O)CN)C[NH+]1CCCC1 59930712 343349368 /nfs/dbraw/zinc/34/93/68/343349368.db2.gz GJCHSMSSISGOFI-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO C[N@H+](CCNC(=O)CN)C1CC1 59931341 343349360 /nfs/dbraw/zinc/34/93/60/343349360.db2.gz JTDBJFRQGJYEPG-UHFFFAOYSA-N 1 3 171.244 -0.845 20 0 ABADHO C[N@@H+](CCNC(=O)CN)C1CC1 59931341 343349361 /nfs/dbraw/zinc/34/93/61/343349361.db2.gz JTDBJFRQGJYEPG-UHFFFAOYSA-N 1 3 171.244 -0.845 20 0 ABADHO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCCN1 60310715 343353302 /nfs/dbraw/zinc/35/33/02/343353302.db2.gz PBTRIAXSKDIRJY-IUCAKERBSA-N 1 3 197.282 -0.393 20 0 ABADHO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCCN1 60310718 343353379 /nfs/dbraw/zinc/35/33/79/343353379.db2.gz PBTRIAXSKDIRJY-DTWKUNHWSA-N 1 3 197.282 -0.393 20 0 ABADHO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCCCN1 60310658 343353388 /nfs/dbraw/zinc/35/33/88/343353388.db2.gz PBTRIAXSKDIRJY-RKDXNWHRSA-N 1 3 197.282 -0.393 20 0 ABADHO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCCCN1 60310655 343353551 /nfs/dbraw/zinc/35/35/51/343353551.db2.gz PBTRIAXSKDIRJY-BDAKNGLRSA-N 1 3 197.282 -0.393 20 0 ABADHO N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 61711391 343362499 /nfs/dbraw/zinc/36/24/99/343362499.db2.gz RZBGJUJJPGPALM-DJLDLDEBSA-N 1 3 170.256 -0.067 20 0 ABADHO N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 61711391 343362501 /nfs/dbraw/zinc/36/25/01/343362501.db2.gz RZBGJUJJPGPALM-DJLDLDEBSA-N 1 3 170.256 -0.067 20 0 ABADHO COCCCN(C)C[C@@H](O)C[NH3+] 62030254 343370077 /nfs/dbraw/zinc/37/00/77/343370077.db2.gz VVNGQVDHJMSYRM-QMMMGPOBSA-N 1 3 176.260 -0.726 20 0 ABADHO COCCC[N@H+](C)C[C@@H](O)CN 62030254 343370079 /nfs/dbraw/zinc/37/00/79/343370079.db2.gz VVNGQVDHJMSYRM-QMMMGPOBSA-N 1 3 176.260 -0.726 20 0 ABADHO COCCC[N@@H+](C)C[C@@H](O)CN 62030254 343370080 /nfs/dbraw/zinc/37/00/80/343370080.db2.gz VVNGQVDHJMSYRM-QMMMGPOBSA-N 1 3 176.260 -0.726 20 0 ABADHO COCCCN(C)C[C@H](O)C[NH3+] 62030252 343370239 /nfs/dbraw/zinc/37/02/39/343370239.db2.gz VVNGQVDHJMSYRM-MRVPVSSYSA-N 1 3 176.260 -0.726 20 0 ABADHO COCCC[N@H+](C)C[C@H](O)CN 62030252 343370240 /nfs/dbraw/zinc/37/02/40/343370240.db2.gz VVNGQVDHJMSYRM-MRVPVSSYSA-N 1 3 176.260 -0.726 20 0 ABADHO COCCC[N@@H+](C)C[C@H](O)CN 62030252 343370244 /nfs/dbraw/zinc/37/02/44/343370244.db2.gz VVNGQVDHJMSYRM-MRVPVSSYSA-N 1 3 176.260 -0.726 20 0 ABADHO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)N)C1 62971971 343389107 /nfs/dbraw/zinc/38/91/07/343389107.db2.gz AHXNYECMNYBGFP-QMMMGPOBSA-N 1 3 199.298 -0.114 20 0 ABADHO C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)N)C1 62971972 343389218 /nfs/dbraw/zinc/38/92/18/343389218.db2.gz AHXNYECMNYBGFP-MRVPVSSYSA-N 1 3 199.298 -0.114 20 0 ABADHO C[NH2+]CC(=O)NC[C@H]1CCCN1C 82276139 343598021 /nfs/dbraw/zinc/59/80/21/343598021.db2.gz CXRHXPADGKVVGO-MRVPVSSYSA-N 1 3 185.271 -0.584 20 0 ABADHO CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 82303057 343598579 /nfs/dbraw/zinc/59/85/79/343598579.db2.gz PRYCYONEQVLREQ-SECBINFHSA-N 1 3 199.298 -0.384 20 0 ABADHO CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 82303057 343598581 /nfs/dbraw/zinc/59/85/81/343598581.db2.gz PRYCYONEQVLREQ-SECBINFHSA-N 1 3 199.298 -0.384 20 0 ABADHO CC[C@@H](O)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 82491783 343605241 /nfs/dbraw/zinc/60/52/41/343605241.db2.gz SQNZWIYWVMNRFW-KXUCPTDWSA-N 1 3 184.283 -0.092 20 0 ABADHO CC[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 82491784 343605317 /nfs/dbraw/zinc/60/53/17/343605317.db2.gz SQNZWIYWVMNRFW-BBBLOLIVSA-N 1 3 184.283 -0.092 20 0 ABADHO CC[C@H](O)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 82491781 343605365 /nfs/dbraw/zinc/60/53/65/343605365.db2.gz SQNZWIYWVMNRFW-AEJSXWLSSA-N 1 3 184.283 -0.092 20 0 ABADHO CC[C@@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 82491786 343605471 /nfs/dbraw/zinc/60/54/71/343605471.db2.gz SQNZWIYWVMNRFW-OPRDCNLKSA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@H](O)CN 82648239 343608921 /nfs/dbraw/zinc/60/89/21/343608921.db2.gz KXNIYOUPIONNQH-IWSPIJDZSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@H](O)CN 82648239 343608922 /nfs/dbraw/zinc/60/89/22/343608922.db2.gz KXNIYOUPIONNQH-IWSPIJDZSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@@H]1CN(C)C[C@H](O)C[NH3+] 82648239 343608924 /nfs/dbraw/zinc/60/89/24/343608924.db2.gz KXNIYOUPIONNQH-IWSPIJDZSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@H]1C[N@H+](C)C[C@H](O)CN 82648241 343609000 /nfs/dbraw/zinc/60/90/00/343609000.db2.gz KXNIYOUPIONNQH-HRDYMLBCSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@H]1C[N@@H+](C)C[C@H](O)CN 82648241 343609002 /nfs/dbraw/zinc/60/90/02/343609002.db2.gz KXNIYOUPIONNQH-HRDYMLBCSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@H]1CN(C)C[C@H](O)C[NH3+] 82648241 343609004 /nfs/dbraw/zinc/60/90/04/343609004.db2.gz KXNIYOUPIONNQH-HRDYMLBCSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 84419986 343636257 /nfs/dbraw/zinc/63/62/57/343636257.db2.gz JJGSXWPBPJHWPL-RKDXNWHRSA-N 1 3 199.298 -0.114 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 84419984 343636457 /nfs/dbraw/zinc/63/64/57/343636457.db2.gz JJGSXWPBPJHWPL-BDAKNGLRSA-N 1 3 199.298 -0.114 20 0 ABADHO C[NH2+]C[C@@H](C)C(=O)N1CCCNCC1 86065791 343649244 /nfs/dbraw/zinc/64/92/44/343649244.db2.gz OLCXYKZCFIPWDX-SECBINFHSA-N 1 3 199.298 -0.336 20 0 ABADHO C[NH2+]C[C@H](C)C(=O)N1CCCNCC1 86065790 343649434 /nfs/dbraw/zinc/64/94/34/343649434.db2.gz OLCXYKZCFIPWDX-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO OCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 88288229 343670015 /nfs/dbraw/zinc/67/00/15/343670015.db2.gz USAMFQWMWJCGQX-RKDXNWHRSA-N 1 3 170.256 -0.480 20 0 ABADHO OCCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 88288223 343670055 /nfs/dbraw/zinc/67/00/55/343670055.db2.gz USAMFQWMWJCGQX-DTORHVGOSA-N 1 3 170.256 -0.480 20 0 ABADHO OCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 88288226 343670095 /nfs/dbraw/zinc/67/00/95/343670095.db2.gz USAMFQWMWJCGQX-IUCAKERBSA-N 1 3 170.256 -0.480 20 0 ABADHO C[C@H]1CN(C(=O)C[NH3+])C[C@@H](C)N1 90608443 343676111 /nfs/dbraw/zinc/67/61/11/343676111.db2.gz QGKRCKLJPUJYNP-KNVOCYPGSA-N 1 3 171.244 -0.846 20 0 ABADHO CN1CC[C@@H](c2nnc(CC[NH3+])o2)C1 95828869 343687540 /nfs/dbraw/zinc/68/75/40/343687540.db2.gz ZPGHMQMSUXTQRW-SSDOTTSWSA-N 1 3 196.254 -0.010 20 0 ABADHO CN1CC[C@H](c2nnc(CC[NH3+])o2)C1 95828868 343687794 /nfs/dbraw/zinc/68/77/94/343687794.db2.gz ZPGHMQMSUXTQRW-ZETCQYMHSA-N 1 3 196.254 -0.010 20 0 ABADHO CC[C@H](O)C[N@@H+]1CC[C@@H](N)C1 130837278 343875909 /nfs/dbraw/zinc/87/59/09/343875909.db2.gz GBLCFJZAZUWMLP-SFYZADRCSA-N 1 3 158.245 -0.210 20 0 ABADHO CC[C@H](O)C[N@H+]1CC[C@@H](N)C1 130837278 343875912 /nfs/dbraw/zinc/87/59/12/343875912.db2.gz GBLCFJZAZUWMLP-SFYZADRCSA-N 1 3 158.245 -0.210 20 0 ABADHO NCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 132901221 343907132 /nfs/dbraw/zinc/90/71/32/343907132.db2.gz OYYNUZYPOWLGLP-BDAKNGLRSA-N 1 3 197.282 -0.312 20 0 ABADHO NCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 132901221 343907133 /nfs/dbraw/zinc/90/71/33/343907133.db2.gz OYYNUZYPOWLGLP-BDAKNGLRSA-N 1 3 197.282 -0.312 20 0 ABADHO NCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 132900979 343907153 /nfs/dbraw/zinc/90/71/53/343907153.db2.gz OYYNUZYPOWLGLP-RKDXNWHRSA-N 1 3 197.282 -0.312 20 0 ABADHO NCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 132900979 343907155 /nfs/dbraw/zinc/90/71/55/343907155.db2.gz OYYNUZYPOWLGLP-RKDXNWHRSA-N 1 3 197.282 -0.312 20 0 ABADHO NCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 132901592 343907322 /nfs/dbraw/zinc/90/73/22/343907322.db2.gz OYYNUZYPOWLGLP-IUCAKERBSA-N 1 3 197.282 -0.312 20 0 ABADHO NCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 132901592 343907323 /nfs/dbraw/zinc/90/73/23/343907323.db2.gz OYYNUZYPOWLGLP-IUCAKERBSA-N 1 3 197.282 -0.312 20 0 ABADHO CNCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 132941982 343908083 /nfs/dbraw/zinc/90/80/83/343908083.db2.gz IIJBORTULRXAON-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO CNCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 132941982 343908085 /nfs/dbraw/zinc/90/80/85/343908085.db2.gz IIJBORTULRXAON-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 132943568 343908164 /nfs/dbraw/zinc/90/81/64/343908164.db2.gz AYUOVASSOUASKJ-IWSPIJDZSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 132943568 343908166 /nfs/dbraw/zinc/90/81/66/343908166.db2.gz AYUOVASSOUASKJ-IWSPIJDZSA-N 1 3 199.298 -0.068 20 0 ABADHO CNCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 132942380 343908285 /nfs/dbraw/zinc/90/82/85/343908285.db2.gz IIJBORTULRXAON-BDAKNGLRSA-N 1 3 199.298 -0.195 20 0 ABADHO CNCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 132942169 343908344 /nfs/dbraw/zinc/90/83/44/343908344.db2.gz IIJBORTULRXAON-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 132943971 343908317 /nfs/dbraw/zinc/90/83/17/343908317.db2.gz AYUOVASSOUASKJ-HLTSFMKQSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 132943971 343908318 /nfs/dbraw/zinc/90/83/18/343908318.db2.gz AYUOVASSOUASKJ-HLTSFMKQSA-N 1 3 199.298 -0.068 20 0 ABADHO CNCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 132942560 343908329 /nfs/dbraw/zinc/90/83/29/343908329.db2.gz IIJBORTULRXAON-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CNCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 132942560 343908330 /nfs/dbraw/zinc/90/83/30/343908330.db2.gz IIJBORTULRXAON-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CNCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 132942169 343908343 /nfs/dbraw/zinc/90/83/43/343908343.db2.gz IIJBORTULRXAON-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@H]1C[C@H](NC(=O)[C@@H](C)N)CC[N@@H+]1C 132943776 343908376 /nfs/dbraw/zinc/90/83/76/343908376.db2.gz AYUOVASSOUASKJ-DJLDLDEBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]1C[C@H](NC(=O)[C@@H](C)N)CC[N@H+]1C 132943776 343908378 /nfs/dbraw/zinc/90/83/78/343908378.db2.gz AYUOVASSOUASKJ-DJLDLDEBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)[C@@H](C)N)CC[N@@H+]1C 132944178 343908438 /nfs/dbraw/zinc/90/84/38/343908438.db2.gz AYUOVASSOUASKJ-YIZRAAEISA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)[C@@H](C)N)CC[N@H+]1C 132944178 343908439 /nfs/dbraw/zinc/90/84/39/343908439.db2.gz AYUOVASSOUASKJ-YIZRAAEISA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]1C[C@@H](NC(=O)CN)CC[N@@H+]1C 132961245 343908651 /nfs/dbraw/zinc/90/86/51/343908651.db2.gz SYROQXUJFCUSHX-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H]1C[C@@H](NC(=O)CN)CC[N@H+]1C 132961245 343908652 /nfs/dbraw/zinc/90/86/52/343908652.db2.gz SYROQXUJFCUSHX-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 132962290 343908676 /nfs/dbraw/zinc/90/86/76/343908676.db2.gz AYUOVASSOUASKJ-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 132962290 343908678 /nfs/dbraw/zinc/90/86/78/343908678.db2.gz AYUOVASSOUASKJ-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]1C[C@H](NC(=O)CN)CC[N@@H+]1C 132960909 343908705 /nfs/dbraw/zinc/90/87/05/343908705.db2.gz SYROQXUJFCUSHX-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H]1C[C@H](NC(=O)CN)CC[N@H+]1C 132960909 343908707 /nfs/dbraw/zinc/90/87/07/343908707.db2.gz 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1 3 172.228 -0.370 20 0 ABADHO C[C@@H]1C[C@H]([NH3+])CCN1CCO 134153510 343934890 /nfs/dbraw/zinc/93/48/90/343934890.db2.gz XJORWEJJDIVCCQ-HTQZYQBOSA-N 1 3 158.245 -0.210 20 0 ABADHO C[C@H]1C[C@H]([NH3+])CCN1CCO 134153723 343935199 /nfs/dbraw/zinc/93/51/99/343935199.db2.gz XJORWEJJDIVCCQ-JGVFFNPUSA-N 1 3 158.245 -0.210 20 0 ABADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCO 134153935 343935243 /nfs/dbraw/zinc/93/52/43/343935243.db2.gz XJORWEJJDIVCCQ-SFYZADRCSA-N 1 3 158.245 -0.210 20 0 ABADHO C[C@H]1C[C@@H]([NH3+])CCN1CCO 134154140 343935269 /nfs/dbraw/zinc/93/52/69/343935269.db2.gz XJORWEJJDIVCCQ-YUMQZZPRSA-N 1 3 158.245 -0.210 20 0 ABADHO CCN1CCC[C@H]1CNC(N)=[NH2+] 141492243 344006302 /nfs/dbraw/zinc/00/63/02/344006302.db2.gz MMJQPHZNGYTMSE-ZETCQYMHSA-N 1 3 170.260 -0.046 20 0 ABADHO C[C@H]([NH3+])[C@@H]1CCN(CCO)C1 157386502 344104818 /nfs/dbraw/zinc/10/48/18/344104818.db2.gz WRHPJMHDEZUCLS-JGVFFNPUSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@@H]([NH3+])[C@H]1CCN(CCO)C1 157386913 344104835 /nfs/dbraw/zinc/10/48/35/344104835.db2.gz WRHPJMHDEZUCLS-SFYZADRCSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@@H]([NH3+])[C@@H]1CCN(CCO)C1 157386643 344104867 /nfs/dbraw/zinc/10/48/67/344104867.db2.gz WRHPJMHDEZUCLS-HTQZYQBOSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@H]([NH3+])[C@H]1CCN(CCO)C1 157386778 344104903 /nfs/dbraw/zinc/10/49/03/344104903.db2.gz WRHPJMHDEZUCLS-YUMQZZPRSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@H]([NH3+])[C@@H](C)C(=O)N1CCCNCC1 165125687 344258627 /nfs/dbraw/zinc/25/86/27/344258627.db2.gz OWLVJUNFUSMPCD-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H](C(=O)N1CCCNCC1)[C@@H](C)[NH3+] 165125340 344258629 /nfs/dbraw/zinc/25/86/29/344258629.db2.gz OWLVJUNFUSMPCD-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H]1CCN[C@H](C(=O)NCC[NH3+])C1 167420634 344304824 /nfs/dbraw/zinc/30/48/24/344304824.db2.gz ILYCXDJIYVAVNO-SFYZADRCSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@H]1CCN[C@H](C(=O)NCC[NH3+])C1 167420732 344304884 /nfs/dbraw/zinc/30/48/84/344304884.db2.gz ILYCXDJIYVAVNO-YUMQZZPRSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@H]1CCN[C@@H](C(=O)NCC[NH3+])C1 167420944 344304901 /nfs/dbraw/zinc/30/49/01/344304901.db2.gz ILYCXDJIYVAVNO-JGVFFNPUSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@@H]1CCN[C@@H](C(=O)NCC[NH3+])C1 167420837 344305028 /nfs/dbraw/zinc/30/50/28/344305028.db2.gz ILYCXDJIYVAVNO-HTQZYQBOSA-N 1 3 185.271 -0.551 20 0 ABADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 198757186 344360683 /nfs/dbraw/zinc/36/06/83/344360683.db2.gz LGJOGJKOFCGZFZ-SFYZADRCSA-N 1 3 185.271 -0.552 20 0 ABADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 198757200 344360818 /nfs/dbraw/zinc/36/08/18/344360818.db2.gz LGJOGJKOFCGZFZ-YUMQZZPRSA-N 1 3 185.271 -0.552 20 0 ABADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH3+])C1 202810750 344367711 /nfs/dbraw/zinc/36/77/11/344367711.db2.gz JJNPFEFWBVYLSP-SECBINFHSA-N 1 3 199.298 -0.114 20 0 ABADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH3+])C1 202810739 344367778 /nfs/dbraw/zinc/36/77/78/344367778.db2.gz JJNPFEFWBVYLSP-VIFPVBQESA-N 1 3 199.298 -0.114 20 0 ABADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 214118943 344382026 /nfs/dbraw/zinc/38/20/26/344382026.db2.gz LGJOGJKOFCGZFZ-JGVFFNPUSA-N 1 3 185.271 -0.552 20 0 ABADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1 214118889 344382045 /nfs/dbraw/zinc/38/20/45/344382045.db2.gz LGJOGJKOFCGZFZ-HTQZYQBOSA-N 1 3 185.271 -0.552 20 0 ABADHO [NH3+]C[C@]1(C2(O)CNC2)CCCOC1 219044575 344419071 /nfs/dbraw/zinc/41/90/71/344419071.db2.gz GXKITLHCJAXVBJ-MRVPVSSYSA-N 1 3 186.255 -0.924 20 0 ABADHO [NH3+]C[C@@]1(C2(O)CNC2)CCCOC1 219044500 344419233 /nfs/dbraw/zinc/41/92/33/344419233.db2.gz GXKITLHCJAXVBJ-QMMMGPOBSA-N 1 3 186.255 -0.924 20 0 ABADHO CNC(=O)[C@H]1CCC[N@H+](CCN)C1 219158562 344420540 /nfs/dbraw/zinc/42/05/40/344420540.db2.gz IGXTWYNDZHIRNH-QMMMGPOBSA-N 1 3 185.271 -0.597 20 0 ABADHO CC(C)(N)C(=O)N1CCC[C@@H]([NH3+])C1 220982995 344436936 /nfs/dbraw/zinc/43/69/36/344436936.db2.gz TZSZRXRSCIUPSL-SSDOTTSWSA-N 1 3 185.271 -0.327 20 0 ABADHO CC(C)(N)C(=O)N1CCC[C@H]([NH3+])C1 220982929 344437021 /nfs/dbraw/zinc/43/70/21/344437021.db2.gz TZSZRXRSCIUPSL-ZETCQYMHSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 223315724 344459356 /nfs/dbraw/zinc/45/93/56/344459356.db2.gz WKORJPHQZCHULN-RNFRBKRXSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 223315779 344459564 /nfs/dbraw/zinc/45/95/64/344459564.db2.gz WKORJPHQZCHULN-RQJHMYQMSA-N 1 3 171.244 -0.798 20 0 ABADHO CN1CCC[C@@H]1CNC(=O)CC[NH3+] 224045049 344465860 /nfs/dbraw/zinc/46/58/60/344465860.db2.gz NGLAOJVEYAGLPU-MRVPVSSYSA-N 1 3 185.271 -0.454 20 0 ABADHO CN1CCC[C@@H]1CNC(=O)CCC[NH3+] 224045193 344465988 /nfs/dbraw/zinc/46/59/88/344465988.db2.gz YMDYSIMEDHTAJK-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO CN1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] 224048910 344466027 /nfs/dbraw/zinc/46/60/27/344466027.db2.gz RYZFLLFPVSIAJP-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](O)CN1CC[C@@H](C[NH3+])C1 224229018 344467555 /nfs/dbraw/zinc/46/75/55/344467555.db2.gz HFSZRXZSEZVQFC-SFYZADRCSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@@H](O)C[N@@H+]1CC[C@@H](CN)C1 224229018 344467558 /nfs/dbraw/zinc/46/75/58/344467558.db2.gz HFSZRXZSEZVQFC-SFYZADRCSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@@H](O)C[N@H+]1CC[C@@H](CN)C1 224229018 344467559 /nfs/dbraw/zinc/46/75/59/344467559.db2.gz HFSZRXZSEZVQFC-SFYZADRCSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@H](O)CN1CC[C@@H](C[NH3+])C1 224229073 344467640 /nfs/dbraw/zinc/46/76/40/344467640.db2.gz HFSZRXZSEZVQFC-YUMQZZPRSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@H](O)C[N@@H+]1CC[C@@H](CN)C1 224229073 344467641 /nfs/dbraw/zinc/46/76/41/344467641.db2.gz HFSZRXZSEZVQFC-YUMQZZPRSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@H](O)C[N@H+]1CC[C@@H](CN)C1 224229073 344467643 /nfs/dbraw/zinc/46/76/43/344467643.db2.gz HFSZRXZSEZVQFC-YUMQZZPRSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@@H]1C[C@H]1C[N@H+](C)C[C@@H](O)CN 224974791 344475192 /nfs/dbraw/zinc/47/51/92/344475192.db2.gz KXNIYOUPIONNQH-VGMNWLOBSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H](O)CN 224974791 344475195 /nfs/dbraw/zinc/47/51/95/344475195.db2.gz KXNIYOUPIONNQH-VGMNWLOBSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@H]1CN(C)C[C@@H](O)C[NH3+] 224974791 344475196 /nfs/dbraw/zinc/47/51/96/344475196.db2.gz KXNIYOUPIONNQH-VGMNWLOBSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@H](O)CN 224974724 344475241 /nfs/dbraw/zinc/47/52/41/344475241.db2.gz KXNIYOUPIONNQH-HLTSFMKQSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@H](O)CN 224974724 344475244 /nfs/dbraw/zinc/47/52/44/344475244.db2.gz KXNIYOUPIONNQH-HLTSFMKQSA-N 1 3 172.272 -0.106 20 0 ABADHO C[C@@H]1C[C@@H]1CN(C)C[C@@H](O)C[NH3+] 224974724 344475245 /nfs/dbraw/zinc/47/52/45/344475245.db2.gz KXNIYOUPIONNQH-HLTSFMKQSA-N 1 3 172.272 -0.106 20 0 ABADHO CNC(=O)[C@H]1CCC[N@H+](C[C@@H](C)N)C1 226317355 344498445 /nfs/dbraw/zinc/49/84/45/344498445.db2.gz CEBPPVLENMWTRS-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](C)N)C1 226317355 344498447 /nfs/dbraw/zinc/49/84/47/344498447.db2.gz CEBPPVLENMWTRS-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)N)C1 226317350 344498605 /nfs/dbraw/zinc/49/86/05/344498605.db2.gz CEBPPVLENMWTRS-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)N)C1 226317350 344498606 /nfs/dbraw/zinc/49/86/06/344498606.db2.gz CEBPPVLENMWTRS-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 227056503 344520986 /nfs/dbraw/zinc/52/09/86/344520986.db2.gz RZBGJUJJPGPALM-HLTSFMKQSA-N 1 3 170.256 -0.067 20 0 ABADHO N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 227056503 344520987 /nfs/dbraw/zinc/52/09/87/344520987.db2.gz RZBGJUJJPGPALM-HLTSFMKQSA-N 1 3 170.256 -0.067 20 0 ABADHO N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 227056511 344521106 /nfs/dbraw/zinc/52/11/06/344521106.db2.gz RZBGJUJJPGPALM-IWSPIJDZSA-N 1 3 170.256 -0.067 20 0 ABADHO N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 227056511 344521108 /nfs/dbraw/zinc/52/11/08/344521108.db2.gz RZBGJUJJPGPALM-IWSPIJDZSA-N 1 3 170.256 -0.067 20 0 ABADHO C[C@@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 235228229 344736516 /nfs/dbraw/zinc/73/65/16/344736516.db2.gz NJGBWECZJFRKLA-VGMNWLOBSA-N 1 3 170.256 -0.482 20 0 ABADHO C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 235569477 344755749 /nfs/dbraw/zinc/75/57/49/344755749.db2.gz NJGBWECZJFRKLA-CIUDSAMLSA-N 1 3 170.256 -0.482 20 0 ABADHO C[C@H]1CN(CC[NH3+])[C@@H](C)CN1C 238465223 344807972 /nfs/dbraw/zinc/80/79/72/344807972.db2.gz IQIXVNYIXLJSCX-IUCAKERBSA-N 1 3 171.288 -0.031 20 0 ABADHO C[C@H]1CN(C)[C@H](C)CN1CC[NH3+] 238389977 344804674 /nfs/dbraw/zinc/80/46/74/344804674.db2.gz IQIXVNYIXLJSCX-BDAKNGLRSA-N 1 3 171.288 -0.031 20 0 ABADHO C[C@H]1CCCN1CCNC(N)=[NH2+] 238442797 344807261 /nfs/dbraw/zinc/80/72/61/344807261.db2.gz RQLMQTQCIOLEQG-ZETCQYMHSA-N 1 3 170.260 -0.046 20 0 ABADHO NCC(=O)NC[C@@H]1CCCC[NH2+]1 238604252 344815282 /nfs/dbraw/zinc/81/52/82/344815282.db2.gz AHEVWJBWKNFLCC-ZETCQYMHSA-N 1 3 171.244 -0.797 20 0 ABADHO NCC(=O)NC[C@H]1CCCC[NH2+]1 238604371 344815453 /nfs/dbraw/zinc/81/54/53/344815453.db2.gz AHEVWJBWKNFLCC-SSDOTTSWSA-N 1 3 171.244 -0.797 20 0 ABADHO NCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] 238605369 344815507 /nfs/dbraw/zinc/81/55/07/344815507.db2.gz FZWSHIUKMQIOQD-RNFRBKRXSA-N 1 3 171.244 -0.669 20 0 ABADHO C1C[C@H](N2C[C@@H]3C[NH2+]C[C@H]3C2)CO1 250802060 344841319 /nfs/dbraw/zinc/84/13/19/344841319.db2.gz BPWHYAMHEJHCLG-GUBZILKMSA-N 1 3 182.267 -0.074 20 0 ABADHO C[C@H](O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2C1 251060196 344845531 /nfs/dbraw/zinc/84/55/31/344845531.db2.gz QEJFORRNLPGXJO-XKNYDFJKSA-N 1 3 184.283 -0.093 20 0 ABADHO C[C@H](O)[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]2C1 251060194 344845815 /nfs/dbraw/zinc/84/58/15/344845815.db2.gz QEJFORRNLPGXJO-AXTSPUMRSA-N 1 3 184.283 -0.093 20 0 ABADHO CC[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 251107404 344847640 /nfs/dbraw/zinc/84/76/40/344847640.db2.gz SQNZWIYWVMNRFW-GUBZILKMSA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@H]1CN(CCO)CC[C@H]1[NH3+] 251910248 344879767 /nfs/dbraw/zinc/87/97/67/344879767.db2.gz XCWCPRFHVMGTAP-JGVFFNPUSA-N 1 3 158.245 -0.352 20 0 ABADHO C[C@@H]1CN(CCO)CC[C@H]1[NH3+] 251910245 344879991 /nfs/dbraw/zinc/87/99/91/344879991.db2.gz XCWCPRFHVMGTAP-HTQZYQBOSA-N 1 3 158.245 -0.352 20 0 ABADHO CNC(=O)[C@H]1CCC[N@H+](C[C@H](C)N)C1 299961111 344960583 /nfs/dbraw/zinc/96/05/83/344960583.db2.gz CEBPPVLENMWTRS-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](C)N)C1 299961110 344961004 /nfs/dbraw/zinc/96/10/04/344961004.db2.gz CEBPPVLENMWTRS-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)N)C1 299961110 344961006 /nfs/dbraw/zinc/96/10/06/344961006.db2.gz CEBPPVLENMWTRS-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H]([NH3+])C(=O)N1CCNCC1(C)C 306148274 345036705 /nfs/dbraw/zinc/03/67/05/345036705.db2.gz AOSVMFZSUVJKRC-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO CC[C@H](N)C(=O)NC1CC[NH2+]CC1 306148342 345036730 /nfs/dbraw/zinc/03/67/30/345036730.db2.gz AZSNYQHNKZQGLB-QMMMGPOBSA-N 1 3 185.271 -0.408 20 0 ABADHO CC[C@@H](N)C(=O)NC1CC[NH2+]CC1 306148341 345036913 /nfs/dbraw/zinc/03/69/13/345036913.db2.gz AZSNYQHNKZQGLB-MRVPVSSYSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)C(C)(C)N 306160441 345051279 /nfs/dbraw/zinc/05/12/79/345051279.db2.gz PUILVMKEMLHGPQ-YFKPBYRVSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@@H]([NH3+])C(=O)N1CCNCC1(C)C 306164566 345055725 /nfs/dbraw/zinc/05/57/25/345055725.db2.gz AOSVMFZSUVJKRC-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H](O)CN1C[C@H]2CC[NH2+]C[C@H]2C1 306170531 345062160 /nfs/dbraw/zinc/06/21/60/345062160.db2.gz GZFMBZXDWNFWPH-AEJSXWLSSA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@H](O)C[N@@H+]1C[C@H]2CCNC[C@H]2C1 306170531 345062161 /nfs/dbraw/zinc/06/21/61/345062161.db2.gz GZFMBZXDWNFWPH-AEJSXWLSSA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@H](O)C[N@H+]1C[C@H]2CCNC[C@H]2C1 306170531 345062162 /nfs/dbraw/zinc/06/21/62/345062162.db2.gz GZFMBZXDWNFWPH-AEJSXWLSSA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 306170534 345062269 /nfs/dbraw/zinc/06/22/69/345062269.db2.gz GZFMBZXDWNFWPH-LPEHRKFASA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@H](O)C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 306170534 345062271 /nfs/dbraw/zinc/06/22/71/345062271.db2.gz GZFMBZXDWNFWPH-LPEHRKFASA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@H](O)C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 306170534 345062272 /nfs/dbraw/zinc/06/22/72/345062272.db2.gz GZFMBZXDWNFWPH-LPEHRKFASA-N 1 3 184.283 -0.092 20 0 ABADHO CC1([NH3+])CCN(C(=O)CN)CC1 306172323 345063968 /nfs/dbraw/zinc/06/39/68/345063968.db2.gz LEOYPSJXNNXCIE-UHFFFAOYSA-N 1 3 171.244 -0.715 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 306175523 345065848 /nfs/dbraw/zinc/06/58/48/345065848.db2.gz IHUVXJLNHUWMJB-YUMQZZPRSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 306175522 345065962 /nfs/dbraw/zinc/06/59/62/345065962.db2.gz IHUVXJLNHUWMJB-JGVFFNPUSA-N 1 3 185.271 -0.408 20 0 ABADHO CC1(NC(=O)CN)CC[NH2+]CC1 306176428 345067217 /nfs/dbraw/zinc/06/72/17/345067217.db2.gz NWBWZCAXGIHTHK-UHFFFAOYSA-N 1 3 171.244 -0.797 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@]1(F)CCNC1 306178626 345069298 /nfs/dbraw/zinc/06/92/98/345069298.db2.gz QDQPAOLMTGNYIY-SVRRBLITSA-N 1 3 189.234 -0.849 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@@]1(F)CCNC1 306178622 345069324 /nfs/dbraw/zinc/06/93/24/345069324.db2.gz QDQPAOLMTGNYIY-HTRCEHHLSA-N 1 3 189.234 -0.849 20 0 ABADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C1 306178727 345070171 /nfs/dbraw/zinc/07/01/71/345070171.db2.gz QJEQSQGWMPPFJY-HTQZYQBOSA-N 1 3 185.271 -0.471 20 0 ABADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 306179012 345070297 /nfs/dbraw/zinc/07/02/97/345070297.db2.gz QJEQSQGWMPPFJY-SFYZADRCSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C 306179193 345070713 /nfs/dbraw/zinc/07/07/13/345070713.db2.gz QWNAGZNBZBDNJD-BWZBUEFSSA-N 1 3 185.271 -0.410 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])C1 306180528 345072030 /nfs/dbraw/zinc/07/20/30/345072030.db2.gz RWCDSRABFYGUNN-NKWVEPMBSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C 306191103 345081289 /nfs/dbraw/zinc/08/12/89/345081289.db2.gz QWNAGZNBZBDNJD-XLPZGREQSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 306191172 345081408 /nfs/dbraw/zinc/08/14/08/345081408.db2.gz XNSNDIGXTUWEJY-NKWVEPMBSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 306191171 345081509 /nfs/dbraw/zinc/08/15/09/345081509.db2.gz XNSNDIGXTUWEJY-BQBZGAKWSA-N 1 3 171.244 -0.717 20 0 ABADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 306199619 345088375 /nfs/dbraw/zinc/08/83/75/345088375.db2.gz KPAXOHAVLJYROL-DTWKUNHWSA-N 1 3 199.298 -0.081 20 0 ABADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 306199635 345088553 /nfs/dbraw/zinc/08/85/53/345088553.db2.gz KPAXOHAVLJYROL-RKDXNWHRSA-N 1 3 199.298 -0.081 20 0 ABADHO NC1(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 306199805 345088738 /nfs/dbraw/zinc/08/87/38/345088738.db2.gz AKLBSZXTQADUOV-SSDOTTSWSA-N 1 3 183.255 -0.654 20 0 ABADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 306199611 345088795 /nfs/dbraw/zinc/08/87/95/345088795.db2.gz KPAXOHAVLJYROL-BDAKNGLRSA-N 1 3 199.298 -0.081 20 0 ABADHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 306199627 345088827 /nfs/dbraw/zinc/08/88/27/345088827.db2.gz KPAXOHAVLJYROL-IUCAKERBSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H](C)N)CC[C@H]1[NH3+] 306206277 345095613 /nfs/dbraw/zinc/09/56/13/345095613.db2.gz WIFKMFNVYBTWGQ-XLPZGREQSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H](C)N)CC[C@@H]1[NH3+] 306206274 345095877 /nfs/dbraw/zinc/09/58/77/345095877.db2.gz WIFKMFNVYBTWGQ-RNJXMRFFSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 306206266 345095932 /nfs/dbraw/zinc/09/59/32/345095932.db2.gz WIFKMFNVYBTWGQ-BWZBUEFSSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 306206270 345095968 /nfs/dbraw/zinc/09/59/68/345095968.db2.gz WIFKMFNVYBTWGQ-PRJMDXOYSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 306207555 345096984 /nfs/dbraw/zinc/09/69/84/345096984.db2.gz CTOVLAIAMOLSSY-FXQIFTODSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 306207557 345097003 /nfs/dbraw/zinc/09/70/03/345097003.db2.gz CTOVLAIAMOLSSY-RNJXMRFFSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 306207559 345097066 /nfs/dbraw/zinc/09/70/66/345097066.db2.gz CTOVLAIAMOLSSY-XLPZGREQSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 306207553 345097129 /nfs/dbraw/zinc/09/71/29/345097129.db2.gz CTOVLAIAMOLSSY-BIIVOSGPSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] 306215042 345105694 /nfs/dbraw/zinc/10/56/94/345105694.db2.gz HJWMFNCOXCAPEE-XLPZGREQSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 306216072 345107442 /nfs/dbraw/zinc/10/74/42/345107442.db2.gz PDBSMGHRWFLELA-BIIVOSGPSA-N 1 3 183.255 -0.989 20 0 ABADHO C[C@H]1NCCN(C(=O)C[NH3+])[C@@H]1C 306218842 345111306 /nfs/dbraw/zinc/11/13/06/345111306.db2.gz SHIQYCHLPNKNBN-RNFRBKRXSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H]1[C@@H](C)NCCN1C(=O)C[NH3+] 306218843 345111523 /nfs/dbraw/zinc/11/15/23/345111523.db2.gz SHIQYCHLPNKNBN-RQJHMYQMSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] 306219920 345112504 /nfs/dbraw/zinc/11/25/04/345112504.db2.gz NOBHMMRBCCOZEV-JGVFFNPUSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@H](N)C(=O)N1CCCC[C@H]1C[NH3+] 306219921 345112673 /nfs/dbraw/zinc/11/26/73/345112673.db2.gz NOBHMMRBCCOZEV-YUMQZZPRSA-N 1 3 185.271 -0.327 20 0 ABADHO CC[C@@H](N)C(=O)N1CCC([NH3+])CC1 306220816 345113742 /nfs/dbraw/zinc/11/37/42/345113742.db2.gz OTDHYJIXCWBYGI-MRVPVSSYSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 306227159 345120441 /nfs/dbraw/zinc/12/04/41/345120441.db2.gz WIFKMFNVYBTWGQ-FXQIFTODSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 306227155 345120510 /nfs/dbraw/zinc/12/05/10/345120510.db2.gz WIFKMFNVYBTWGQ-BIIVOSGPSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 306227161 345120579 /nfs/dbraw/zinc/12/05/79/345120579.db2.gz WIFKMFNVYBTWGQ-GJMOJQLCSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 306227157 345120722 /nfs/dbraw/zinc/12/07/22/345120722.db2.gz WIFKMFNVYBTWGQ-CSMHCCOUSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)NC(C)(C)C[NH3+] 306229723 345123178 /nfs/dbraw/zinc/12/31/78/345123178.db2.gz ISMBPOFDOZNAML-YFKPBYRVSA-N 1 3 159.233 -0.813 20 0 ABADHO CC(C)([NH3+])CNC(=O)C1(N)CC1 306233062 345126567 /nfs/dbraw/zinc/12/65/67/345126567.db2.gz KXWSZCQWOXMJHB-UHFFFAOYSA-N 1 3 171.244 -0.669 20 0 ABADHO NC1(C(=O)N2CC[C@@H]([NH3+])C2)CC1 306234049 345127087 /nfs/dbraw/zinc/12/70/87/345127087.db2.gz LHPLAKRSUFOWRI-ZCFIWIBFSA-N 1 3 169.228 -0.963 20 0 ABADHO NC1(C(=O)N[C@H]2CCC[NH2+]C2)CC1 306235399 345128602 /nfs/dbraw/zinc/12/86/02/345128602.db2.gz AKLBSZXTQADUOV-ZETCQYMHSA-N 1 3 183.255 -0.654 20 0 ABADHO C[C@H]1CN(C(=O)C(C)(C)[NH3+])C[C@@H](C)N1 306238776 345131626 /nfs/dbraw/zinc/13/16/26/345131626.db2.gz QBWHYUDLQGKOFQ-OCAPTIKFSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]1CN(C(=O)C(C)(C)[NH3+])C[C@H](C)N1 306238777 345131711 /nfs/dbraw/zinc/13/17/11/345131711.db2.gz QBWHYUDLQGKOFQ-YUMQZZPRSA-N 1 3 199.298 -0.068 20 0 ABADHO NCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 306244549 345136490 /nfs/dbraw/zinc/13/64/90/345136490.db2.gz NAEGIWFRBPUESX-RNFRBKRXSA-N 1 3 171.244 -0.669 20 0 ABADHO NCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 306244547 345136660 /nfs/dbraw/zinc/13/66/60/345136660.db2.gz NAEGIWFRBPUESX-BQBZGAKWSA-N 1 3 171.244 -0.669 20 0 ABADHO NCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 306244550 345136715 /nfs/dbraw/zinc/13/67/15/345136715.db2.gz NAEGIWFRBPUESX-RQJHMYQMSA-N 1 3 171.244 -0.669 20 0 ABADHO NCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 306244548 345136727 /nfs/dbraw/zinc/13/67/27/345136727.db2.gz NAEGIWFRBPUESX-NKWVEPMBSA-N 1 3 171.244 -0.669 20 0 ABADHO NC1(C(=O)NC2CC[NH2+]CC2)CC1 306248253 345140194 /nfs/dbraw/zinc/14/01/94/345140194.db2.gz PZBZHIUIWWMKBY-UHFFFAOYSA-N 1 3 183.255 -0.654 20 0 ABADHO CC[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 306260297 345151153 /nfs/dbraw/zinc/15/11/53/345151153.db2.gz JZHVXTKYXWNWJZ-SFYZADRCSA-N 1 3 185.271 -0.327 20 0 ABADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 306260296 345151332 /nfs/dbraw/zinc/15/13/32/345151332.db2.gz JZHVXTKYXWNWJZ-HTQZYQBOSA-N 1 3 185.271 -0.327 20 0 ABADHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 306262187 345152326 /nfs/dbraw/zinc/15/23/26/345152326.db2.gz LTAQVBQKUUESJI-BDAKNGLRSA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 306262192 345152506 /nfs/dbraw/zinc/15/25/06/345152506.db2.gz LTAQVBQKUUESJI-IUCAKERBSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H]1CN(C(=O)CN)CC[C@@H]1[NH3+] 306266056 345155797 /nfs/dbraw/zinc/15/57/97/345155797.db2.gz DNXIQPPHXKHIJG-BQBZGAKWSA-N 1 3 171.244 -0.859 20 0 ABADHO C[C@@H]1CN(C(=O)CN)CC[C@@H]1[NH3+] 306266061 345156028 /nfs/dbraw/zinc/15/60/28/345156028.db2.gz DNXIQPPHXKHIJG-RQJHMYQMSA-N 1 3 171.244 -0.859 20 0 ABADHO C[C@@H]1CN(C(=O)CN)CC[C@H]1[NH3+] 306266059 345156048 /nfs/dbraw/zinc/15/60/48/345156048.db2.gz DNXIQPPHXKHIJG-RNFRBKRXSA-N 1 3 171.244 -0.859 20 0 ABADHO CNCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 306274740 345162087 /nfs/dbraw/zinc/16/20/87/345162087.db2.gz AZJHQFYDNDQVOB-HTQZYQBOSA-N 1 3 185.271 -0.538 20 0 ABADHO CNCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 306274745 345162260 /nfs/dbraw/zinc/16/22/60/345162260.db2.gz AZJHQFYDNDQVOB-SFYZADRCSA-N 1 3 185.271 -0.538 20 0 ABADHO CNCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 306274742 345162338 /nfs/dbraw/zinc/16/23/38/345162338.db2.gz AZJHQFYDNDQVOB-JGVFFNPUSA-N 1 3 185.271 -0.538 20 0 ABADHO CNCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 306274747 345162446 /nfs/dbraw/zinc/16/24/46/345162446.db2.gz AZJHQFYDNDQVOB-YUMQZZPRSA-N 1 3 185.271 -0.538 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 306284927 345168606 /nfs/dbraw/zinc/16/86/06/345168606.db2.gz JTRVAEXYSICJBW-CSMHCCOUSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 306284937 345168721 /nfs/dbraw/zinc/16/87/21/345168721.db2.gz JTRVAEXYSICJBW-GJMOJQLCSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@H]1C[C@H](NC(=O)[C@H](C)N)CC[NH2+]1 306284922 345168771 /nfs/dbraw/zinc/16/87/71/345168771.db2.gz JTRVAEXYSICJBW-BIIVOSGPSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)[C@H](C)N)CC[NH2+]1 306284932 345168799 /nfs/dbraw/zinc/16/87/99/345168799.db2.gz JTRVAEXYSICJBW-FXQIFTODSA-N 1 3 185.271 -0.410 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 306290160 345172145 /nfs/dbraw/zinc/17/21/45/345172145.db2.gz PRNDCXUUTOILRG-JGVFFNPUSA-N 1 3 185.271 -0.408 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 306290449 345172926 /nfs/dbraw/zinc/17/29/26/345172926.db2.gz PRNDCXUUTOILRG-YUMQZZPRSA-N 1 3 185.271 -0.408 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 306290448 345172999 /nfs/dbraw/zinc/17/29/99/345172999.db2.gz PRNDCXUUTOILRG-SFYZADRCSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN 306292131 345174186 /nfs/dbraw/zinc/17/41/86/345174186.db2.gz UUGOYFRQWFLMCF-NKWVEPMBSA-N 1 3 171.244 -0.941 20 0 ABADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN 306292130 345174512 /nfs/dbraw/zinc/17/45/12/345174512.db2.gz UUGOYFRQWFLMCF-BQBZGAKWSA-N 1 3 171.244 -0.941 20 0 ABADHO C[C@H](N)C(=O)NCC1CC[NH2+]CC1 306293273 345175315 /nfs/dbraw/zinc/17/53/15/345175315.db2.gz UJIGGIMDDRLIJR-ZETCQYMHSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@@H](N)C(=O)NCC1CC[NH2+]CC1 306293272 345175425 /nfs/dbraw/zinc/17/54/25/345175425.db2.gz UJIGGIMDDRLIJR-SSDOTTSWSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 306299148 345179533 /nfs/dbraw/zinc/17/95/33/345179533.db2.gz DVGLDWFGHIJARE-VXNVDRBHSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 306299147 345179749 /nfs/dbraw/zinc/17/97/49/345179749.db2.gz DVGLDWFGHIJARE-APPZFPTMSA-N 1 3 185.271 -0.469 20 0 ABADHO CC[C@H](N)C(=O)NC1(C)CC[NH2+]CC1 306305292 345184610 /nfs/dbraw/zinc/18/46/10/345184610.db2.gz PGBLXXFXQZVXHZ-QMMMGPOBSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](C)N)CC1 306309041 345188548 /nfs/dbraw/zinc/18/85/48/345188548.db2.gz SAGMAYCNTJKMQO-JGVFFNPUSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 306309040 345188981 /nfs/dbraw/zinc/18/89/81/345188981.db2.gz SAGMAYCNTJKMQO-HTQZYQBOSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C 306325296 345202582 /nfs/dbraw/zinc/20/25/82/345202582.db2.gz WGSXLQLFEDTXGH-XLPZGREQSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C 306325295 345202623 /nfs/dbraw/zinc/20/26/23/345202623.db2.gz WGSXLQLFEDTXGH-RNJXMRFFSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C 306325294 345202783 /nfs/dbraw/zinc/20/27/83/345202783.db2.gz WGSXLQLFEDTXGH-FXQIFTODSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C 306325293 345202813 /nfs/dbraw/zinc/20/28/13/345202813.db2.gz WGSXLQLFEDTXGH-BIIVOSGPSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)CN)CC[NH2+]1 306333457 345209783 /nfs/dbraw/zinc/20/97/83/345209783.db2.gz RAWMPWJKKCINJJ-BQBZGAKWSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H]1C[C@H](NC(=O)CN)CC[NH2+]1 306333461 345209940 /nfs/dbraw/zinc/20/99/40/345209940.db2.gz RAWMPWJKKCINJJ-RNFRBKRXSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H]1C[C@@H](NC(=O)CN)CC[NH2+]1 306333463 345209977 /nfs/dbraw/zinc/20/99/77/345209977.db2.gz RAWMPWJKKCINJJ-RQJHMYQMSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@H]1C[C@H](NC(=O)CN)CC[NH2+]1 306333459 345210137 /nfs/dbraw/zinc/21/01/37/345210137.db2.gz RAWMPWJKKCINJJ-NKWVEPMBSA-N 1 3 171.244 -0.798 20 0 ABADHO C1CNC(CN2CCNCC2)=[NH+]C1 306339429 345214268 /nfs/dbraw/zinc/21/42/68/345214268.db2.gz XTWBDAADBPDJGN-UHFFFAOYSA-N 1 3 182.271 -0.717 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 306345535 345219330 /nfs/dbraw/zinc/21/93/30/345219330.db2.gz DTEZBOUYJRTEGO-YUMQZZPRSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 306345534 345219596 /nfs/dbraw/zinc/21/95/96/345219596.db2.gz DTEZBOUYJRTEGO-JGVFFNPUSA-N 1 3 185.271 -0.469 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C1 306348075 345221881 /nfs/dbraw/zinc/22/18/81/345221881.db2.gz RWCDSRABFYGUNN-RNFRBKRXSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@@H](N)C(=O)NC1(C)CC[NH2+]CC1 306350066 345223533 /nfs/dbraw/zinc/22/35/33/345223533.db2.gz VRAVHDIPIDLKBW-SSDOTTSWSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H]1CN(C(=O)CC[NH3+])C[C@@H](C)N1 306357163 345228150 /nfs/dbraw/zinc/22/81/50/345228150.db2.gz UUDMJMSXQGCKMN-OCAPTIKFSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H]1CN(C(=O)CC[NH3+])C[C@H](C)N1 306357165 345228180 /nfs/dbraw/zinc/22/81/80/345228180.db2.gz UUDMJMSXQGCKMN-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO CC(C)[C@H](N)C(=O)N1CC[C@H]([NH3+])C1 306361831 345231819 /nfs/dbraw/zinc/23/18/19/345231819.db2.gz QJEQSQGWMPPFJY-YUMQZZPRSA-N 1 3 185.271 -0.471 20 0 ABADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]([NH3+])C1 306361830 345232095 /nfs/dbraw/zinc/23/20/95/345232095.db2.gz QJEQSQGWMPPFJY-JGVFFNPUSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 306371871 345240260 /nfs/dbraw/zinc/24/02/60/345240260.db2.gz PKCCVUMHIMFLMN-RQJHMYQMSA-N 1 3 171.244 -0.846 20 0 ABADHO CC(C)(N)C(=O)N1CCC(C[NH3+])CC1 306385245 345250386 /nfs/dbraw/zinc/25/03/86/345250386.db2.gz CHSBOZFLRHREEV-UHFFFAOYSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CN 306396577 345258176 /nfs/dbraw/zinc/25/81/76/345258176.db2.gz IGPQOOVCRHHROY-ZXFLCMHBSA-N 1 3 185.271 -0.552 20 0 ABADHO C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1NC(=O)CN 306396576 345258253 /nfs/dbraw/zinc/25/82/53/345258253.db2.gz IGPQOOVCRHHROY-FJXKBIBVSA-N 1 3 185.271 -0.552 20 0 ABADHO C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1NC(=O)CN 306396575 345258322 /nfs/dbraw/zinc/25/83/22/345258322.db2.gz IGPQOOVCRHHROY-BKPPORCPSA-N 1 3 185.271 -0.552 20 0 ABADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CN 306396574 345258362 /nfs/dbraw/zinc/25/83/62/345258362.db2.gz IGPQOOVCRHHROY-BHNWBGBOSA-N 1 3 185.271 -0.552 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] 306404382 345264302 /nfs/dbraw/zinc/26/43/02/345264302.db2.gz UYVBQHGZJFPZJS-VGMNWLOBSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] 306404379 345264373 /nfs/dbraw/zinc/26/43/73/345264373.db2.gz UYVBQHGZJFPZJS-CIUDSAMLSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] 306404380 345264455 /nfs/dbraw/zinc/26/44/55/345264455.db2.gz UYVBQHGZJFPZJS-HRDYMLBCSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] 306404383 345264516 /nfs/dbraw/zinc/26/45/16/345264516.db2.gz UYVBQHGZJFPZJS-XHNCKOQMSA-N 1 3 199.298 -0.081 20 0 ABADHO C[NH2+]CC(=O)N1C[C@H](C)N[C@@H](C)C1 306425302 345282230 /nfs/dbraw/zinc/28/22/30/345282230.db2.gz GYYZIOLUGWVEKA-YUMQZZPRSA-N 1 3 185.271 -0.585 20 0 ABADHO C[NH2+]CC(=O)N1C[C@@H](C)N[C@H](C)C1 306425300 345282332 /nfs/dbraw/zinc/28/23/32/345282332.db2.gz GYYZIOLUGWVEKA-HTQZYQBOSA-N 1 3 185.271 -0.585 20 0 ABADHO C[NH2+]CC(=O)N1C[C@H](C)N[C@H](C)C1 306425301 345282382 /nfs/dbraw/zinc/28/23/82/345282382.db2.gz GYYZIOLUGWVEKA-OCAPTIKFSA-N 1 3 185.271 -0.585 20 0 ABADHO CNCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] 306429423 345287466 /nfs/dbraw/zinc/28/74/66/345287466.db2.gz OYNPPEVNJSARRU-HTQZYQBOSA-N 1 3 185.271 -0.408 20 0 ABADHO NC(=[NH2+])NCCNc1ccncc1 306433451 345293413 /nfs/dbraw/zinc/29/34/13/345293413.db2.gz WVJYTFQXCSXXSM-UHFFFAOYSA-N 1 3 179.227 -0.023 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] 306439746 345300130 /nfs/dbraw/zinc/30/01/30/345300130.db2.gz HJWMFNCOXCAPEE-BWZBUEFSSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 306442441 345303126 /nfs/dbraw/zinc/30/31/26/345303126.db2.gz PKCCVUMHIMFLMN-NKWVEPMBSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 306442440 345303413 /nfs/dbraw/zinc/30/34/13/345303413.db2.gz PKCCVUMHIMFLMN-BQBZGAKWSA-N 1 3 171.244 -0.846 20 0 ABADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CN)C1 306445841 345305690 /nfs/dbraw/zinc/30/56/90/345305690.db2.gz TVZVXZZPRIIPLU-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CN)C1 306445844 345305697 /nfs/dbraw/zinc/30/56/97/345305697.db2.gz TVZVXZZPRIIPLU-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CN)C1 306445843 345305726 /nfs/dbraw/zinc/30/57/26/345305726.db2.gz TVZVXZZPRIIPLU-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CN)C1 306445842 345305900 /nfs/dbraw/zinc/30/59/00/345305900.db2.gz TVZVXZZPRIIPLU-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C 306450240 345310588 /nfs/dbraw/zinc/31/05/88/345310588.db2.gz BYCSLNZGQNTBKI-CSMHCCOUSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C 306450243 345310622 /nfs/dbraw/zinc/31/06/22/345310622.db2.gz BYCSLNZGQNTBKI-PRJMDXOYSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@@H]1CN(C(=O)[C@@H](C)[NH3+])[C@H](C)CN1 306450239 345310722 /nfs/dbraw/zinc/31/07/22/345310722.db2.gz BYCSLNZGQNTBKI-BWZBUEFSSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]1CN[C@H](C)CN1C(=O)[C@@H](C)[NH3+] 306450241 345310801 /nfs/dbraw/zinc/31/08/01/345310801.db2.gz BYCSLNZGQNTBKI-GJMOJQLCSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] 306467207 345328318 /nfs/dbraw/zinc/32/83/18/345328318.db2.gz LQZFOYULQRVHPP-VGMNWLOBSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H]1CCN(C(=O)[C@@H](C)N)[C@H](C[NH3+])C1 306467204 345328630 /nfs/dbraw/zinc/32/86/30/345328630.db2.gz LQZFOYULQRVHPP-HLTSFMKQSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H]1CCCN(C(=O)CN)[C@H]1C[NH3+] 306469199 345331709 /nfs/dbraw/zinc/33/17/09/345331709.db2.gz PATYWLLXIBAMFO-SFYZADRCSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H]1CCCN(C(=O)CN)[C@H]1C[NH3+] 306469200 345331717 /nfs/dbraw/zinc/33/17/17/345331717.db2.gz PATYWLLXIBAMFO-YUMQZZPRSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@@H]1CCCN(C(=O)CN)[C@@H]1C[NH3+] 306469196 345331859 /nfs/dbraw/zinc/33/18/59/345331859.db2.gz PATYWLLXIBAMFO-HTQZYQBOSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H]1CCCN(C(=O)CN)[C@@H]1C[NH3+] 306469197 345331924 /nfs/dbraw/zinc/33/19/24/345331924.db2.gz PATYWLLXIBAMFO-JGVFFNPUSA-N 1 3 185.271 -0.469 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 306469671 345332433 /nfs/dbraw/zinc/33/24/33/345332433.db2.gz PRNDCXUUTOILRG-HTQZYQBOSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 306488602 345359627 /nfs/dbraw/zinc/35/96/27/345359627.db2.gz KYBZYYAAVHOFFE-WCBMZHEXSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 306488603 345359641 /nfs/dbraw/zinc/35/96/41/345359641.db2.gz KYBZYYAAVHOFFE-WPRPVWTQSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 306488600 345359658 /nfs/dbraw/zinc/35/96/58/345359658.db2.gz KYBZYYAAVHOFFE-PSASIEDQSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 306488601 345359683 /nfs/dbraw/zinc/35/96/83/345359683.db2.gz KYBZYYAAVHOFFE-SCZZXKLOSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)C(C)(C)N 306509863 345382226 /nfs/dbraw/zinc/38/22/26/345382226.db2.gz JZIGNHCVBMFLOX-NKWVEPMBSA-N 1 3 185.271 -0.328 20 0 ABADHO [NH3+]C1CC(N[C@@H]2CCC[C@H]2O)C1 306510070 345382252 /nfs/dbraw/zinc/38/22/52/345382252.db2.gz CJINTNUIUVEWKB-GEPGNKONSA-N 1 3 170.256 -0.021 20 0 ABADHO CC[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 306509861 345382361 /nfs/dbraw/zinc/38/23/61/345382361.db2.gz JZHVXTKYXWNWJZ-JGVFFNPUSA-N 1 3 185.271 -0.327 20 0 ABADHO CNCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C 306511440 345383463 /nfs/dbraw/zinc/38/34/63/345383463.db2.gz MXXNWIFPXIJRML-HTQZYQBOSA-N 1 3 185.271 -0.538 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 306516238 345387531 /nfs/dbraw/zinc/38/75/31/345387531.db2.gz XNSNDIGXTUWEJY-RNFRBKRXSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 306516240 345387567 /nfs/dbraw/zinc/38/75/67/345387567.db2.gz XNSNDIGXTUWEJY-RQJHMYQMSA-N 1 3 171.244 -0.717 20 0 ABADHO CC(C)[C@H](N)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306521870 345393828 /nfs/dbraw/zinc/39/38/28/345393828.db2.gz NWGVZOAYWDQZTK-UYXSQOIJSA-N 1 3 197.282 -0.696 20 0 ABADHO CNCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 306525079 345396998 /nfs/dbraw/zinc/39/69/98/345396998.db2.gz AARUVDFWOQVRRU-JGVFFNPUSA-N 1 3 185.271 -0.599 20 0 ABADHO CNCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 306525078 345397002 /nfs/dbraw/zinc/39/70/02/345397002.db2.gz AARUVDFWOQVRRU-HTQZYQBOSA-N 1 3 185.271 -0.599 20 0 ABADHO CNCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 306525081 345397099 /nfs/dbraw/zinc/39/70/99/345397099.db2.gz AARUVDFWOQVRRU-YUMQZZPRSA-N 1 3 185.271 -0.599 20 0 ABADHO CNCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 306525080 345397328 /nfs/dbraw/zinc/39/73/28/345397328.db2.gz AARUVDFWOQVRRU-SFYZADRCSA-N 1 3 185.271 -0.599 20 0 ABADHO C[C@H](N)C(=O)NC1(C[NH3+])CCCC1 306526443 345398193 /nfs/dbraw/zinc/39/81/93/345398193.db2.gz URSHTECXLKUJCV-ZETCQYMHSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 306529326 345400751 /nfs/dbraw/zinc/40/07/51/345400751.db2.gz FSWXLEBMUNIBGQ-RQJHMYQMSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 306529324 345400856 /nfs/dbraw/zinc/40/08/56/345400856.db2.gz FSWXLEBMUNIBGQ-RNFRBKRXSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H](N)C(=O)NCC(C)(C)[NH3+] 306531713 345403600 /nfs/dbraw/zinc/40/36/00/345403600.db2.gz IICFYAHTGWDGSX-RXMQYKEDSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 306545970 345420477 /nfs/dbraw/zinc/42/04/77/345420477.db2.gz DVGLDWFGHIJARE-CBAPKCEASA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 306554917 345430545 /nfs/dbraw/zinc/43/05/45/345430545.db2.gz CMJSBOFBRNGYCT-FXQIFTODSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 306554916 345430554 /nfs/dbraw/zinc/43/05/54/345430554.db2.gz CMJSBOFBRNGYCT-CSMHCCOUSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 306554918 345430756 /nfs/dbraw/zinc/43/07/56/345430756.db2.gz CMJSBOFBRNGYCT-GJMOJQLCSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 306554915 345430788 /nfs/dbraw/zinc/43/07/88/345430788.db2.gz CMJSBOFBRNGYCT-BIIVOSGPSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H]1CN(C(=O)[C@H](C)[NH3+])C[C@@H](C)N1 306577572 345454476 /nfs/dbraw/zinc/45/44/76/345454476.db2.gz VNNVLQZVDCDDGZ-RNJXMRFFSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H](C)N1 306577570 345454772 /nfs/dbraw/zinc/45/47/72/345454772.db2.gz VNNVLQZVDCDDGZ-FXQIFTODSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 306577571 345454896 /nfs/dbraw/zinc/45/48/96/345454896.db2.gz VNNVLQZVDCDDGZ-PRJMDXOYSA-N 1 3 185.271 -0.458 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 306601826 345477559 /nfs/dbraw/zinc/47/75/59/345477559.db2.gz KJUVLHJYUHBXKC-YIZRAAEISA-N 1 3 197.282 -0.599 20 0 ABADHO NCC(=O)N[C@H]1CCC[NH2+]CC1 306638180 345505933 /nfs/dbraw/zinc/50/59/33/345505933.db2.gz BSWNNMUOHACCOX-ZETCQYMHSA-N 1 3 171.244 -0.797 20 0 ABADHO NCC(=O)N[C@@H]1CCC[NH2+]CC1 306638176 345505983 /nfs/dbraw/zinc/50/59/83/345505983.db2.gz BSWNNMUOHACCOX-SSDOTTSWSA-N 1 3 171.244 -0.797 20 0 ABADHO CC(C)(N)C(=O)N1CC[C@@H]([NH3+])C1 306652315 345519159 /nfs/dbraw/zinc/51/91/59/345519159.db2.gz GMKLQJXCMBTYCW-ZCFIWIBFSA-N 1 3 171.244 -0.717 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C 306659010 345524404 /nfs/dbraw/zinc/52/44/04/345524404.db2.gz JFAOGKVTBXBATF-HLTSFMKQSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C 306659012 345524420 /nfs/dbraw/zinc/52/44/20/345524420.db2.gz JFAOGKVTBXBATF-YIZRAAEISA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C 306659009 345524430 /nfs/dbraw/zinc/52/44/30/345524430.db2.gz JFAOGKVTBXBATF-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C 306659011 345524639 /nfs/dbraw/zinc/52/46/39/345524639.db2.gz JFAOGKVTBXBATF-VGMNWLOBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](C[NH3+])C(=O)N1CCNCC1(C)C 306673747 345534992 /nfs/dbraw/zinc/53/49/92/345534992.db2.gz OJNHSTGGTOMAIP-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H](C[NH3+])C(=O)N1CCNCC1(C)C 306673746 345535169 /nfs/dbraw/zinc/53/51/69/345535169.db2.gz OJNHSTGGTOMAIP-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@@H](N)C(=O)NC1(C)CC[NH2+]CC1 306674052 345535799 /nfs/dbraw/zinc/53/57/99/345535799.db2.gz PGBLXXFXQZVXHZ-MRVPVSSYSA-N 1 3 199.298 -0.018 20 0 ABADHO CC1CC(NC[C@H]2C[NH2+]C[C@H]2O)C1 306674489 345536521 /nfs/dbraw/zinc/53/65/21/345536521.db2.gz QLOHPDCVFDKHIT-QLVNRRSVSA-N 1 3 184.283 -0.045 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 306677665 345539714 /nfs/dbraw/zinc/53/97/14/345539714.db2.gz ZLDAIVZLNJKKDU-DTWKUNHWSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 306677666 345540064 /nfs/dbraw/zinc/54/00/64/345540064.db2.gz ZLDAIVZLNJKKDU-RKDXNWHRSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H]([NH3+])CNC(=O)C(C)(C)N 306683268 345544379 /nfs/dbraw/zinc/54/43/79/345544379.db2.gz VFCNETDNLMDHMH-YFKPBYRVSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)C(C)(C)N 306683267 345544771 /nfs/dbraw/zinc/54/47/71/345544771.db2.gz VFCNETDNLMDHMH-RXMQYKEDSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 306694326 345551710 /nfs/dbraw/zinc/55/17/10/345551710.db2.gz UQVNWTINFKBBII-ZETCQYMHSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H](C)N1 306695028 345552120 /nfs/dbraw/zinc/55/21/20/345552120.db2.gz VNNVLQZVDCDDGZ-GJMOJQLCSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H](C)N1 306695027 345552150 /nfs/dbraw/zinc/55/21/50/345552150.db2.gz VNNVLQZVDCDDGZ-BWZBUEFSSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H](C)N1 306695026 345552431 /nfs/dbraw/zinc/55/24/31/345552431.db2.gz VNNVLQZVDCDDGZ-BIIVOSGPSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 306706097 345559328 /nfs/dbraw/zinc/55/93/28/345559328.db2.gz IPGSFJXIIWRYMS-YUMQZZPRSA-N 1 3 197.282 -0.408 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 306706094 345559561 /nfs/dbraw/zinc/55/95/61/345559561.db2.gz IPGSFJXIIWRYMS-JGVFFNPUSA-N 1 3 197.282 -0.408 20 0 ABADHO CC(C)(N)C(=O)NC[C@H]1CCCC[NH2+]1 306719377 345571043 /nfs/dbraw/zinc/57/10/43/345571043.db2.gz XUPUALIUTCUMRP-MRVPVSSYSA-N 1 3 199.298 -0.018 20 0 ABADHO CC(C)(N)C(=O)NC[C@@H]1CCCC[NH2+]1 306719378 345571246 /nfs/dbraw/zinc/57/12/46/345571246.db2.gz XUPUALIUTCUMRP-QMMMGPOBSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 306754019 345593124 /nfs/dbraw/zinc/59/31/24/345593124.db2.gz JZHVXTKYXWNWJZ-YUMQZZPRSA-N 1 3 185.271 -0.327 20 0 ABADHO CC(C)(N)C(=O)N1CC[C@H]([NH3+])C1 306763812 345599512 /nfs/dbraw/zinc/59/95/12/345599512.db2.gz GMKLQJXCMBTYCW-LURJTMIESA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CN)C1 306790296 345616144 /nfs/dbraw/zinc/61/61/44/345616144.db2.gz VFVSGXYWGPOBAH-NKWVEPMBSA-N 1 3 171.244 -0.859 20 0 ABADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)CN)C1 306790295 345616168 /nfs/dbraw/zinc/61/61/68/345616168.db2.gz VFVSGXYWGPOBAH-BQBZGAKWSA-N 1 3 171.244 -0.859 20 0 ABADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CN)C1 306790298 345616235 /nfs/dbraw/zinc/61/62/35/345616235.db2.gz VFVSGXYWGPOBAH-RQJHMYQMSA-N 1 3 171.244 -0.859 20 0 ABADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CN)C1 306790297 345616254 /nfs/dbraw/zinc/61/62/54/345616254.db2.gz VFVSGXYWGPOBAH-RNFRBKRXSA-N 1 3 171.244 -0.859 20 0 ABADHO CN(C)C1CN(C2C[NH2+]C2)C1 306858820 345662163 /nfs/dbraw/zinc/66/21/63/345662163.db2.gz BCOVRTFBFLEKTI-UHFFFAOYSA-N 1 3 155.245 -0.796 20 0 ABADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CN 306883201 345680154 /nfs/dbraw/zinc/68/01/54/345680154.db2.gz ONQZMMXROYYCDA-RQJHMYQMSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CN 306883200 345680203 /nfs/dbraw/zinc/68/02/03/345680203.db2.gz ONQZMMXROYYCDA-RNFRBKRXSA-N 1 3 171.244 -0.798 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1CCNCC1(C)C 306932146 345705451 /nfs/dbraw/zinc/70/54/51/345705451.db2.gz BYQGMFPEBVIMOJ-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1CN[C@H](C)CN1C(=O)[C@H](C)C[NH3+] 306933735 345706243 /nfs/dbraw/zinc/70/62/43/345706243.db2.gz GDSHLVWCYVFIDG-HLTSFMKQSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C 306933734 345706367 /nfs/dbraw/zinc/70/63/67/345706367.db2.gz GDSHLVWCYVFIDG-DJLDLDEBSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C 306933737 345706374 /nfs/dbraw/zinc/70/63/74/345706374.db2.gz GDSHLVWCYVFIDG-YIZRAAEISA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@@H]1CN(C(=O)[C@H](C)C[NH3+])[C@H](C)CN1 306933736 345706412 /nfs/dbraw/zinc/70/64/12/345706412.db2.gz GDSHLVWCYVFIDG-IWSPIJDZSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)[C@@H](C)N)CC[NH2+]1 306961883 345720573 /nfs/dbraw/zinc/72/05/73/345720573.db2.gz JTRVAEXYSICJBW-RNJXMRFFSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)CC[NH2+]1 306961881 345720596 /nfs/dbraw/zinc/72/05/96/345720596.db2.gz JTRVAEXYSICJBW-BWZBUEFSSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@H]1C[C@H](NC(=O)[C@@H](C)N)CC[NH2+]1 306961884 345720616 /nfs/dbraw/zinc/72/06/16/345720616.db2.gz JTRVAEXYSICJBW-XLPZGREQSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](C)N)CC[NH2+]1 306961882 345720646 /nfs/dbraw/zinc/72/06/46/345720646.db2.gz JTRVAEXYSICJBW-PRJMDXOYSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 306966983 345723785 /nfs/dbraw/zinc/72/37/85/345723785.db2.gz PDBSMGHRWFLELA-PRJMDXOYSA-N 1 3 183.255 -0.989 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C 306975304 345728746 /nfs/dbraw/zinc/72/87/46/345728746.db2.gz ZFYBJRGRYYCGFY-HLTSFMKQSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@H]1C 306975307 345728758 /nfs/dbraw/zinc/72/87/58/345728758.db2.gz ZFYBJRGRYYCGFY-YIZRAAEISA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C 306975306 345729065 /nfs/dbraw/zinc/72/90/65/345729065.db2.gz ZFYBJRGRYYCGFY-VGMNWLOBSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C 306975303 345729203 /nfs/dbraw/zinc/72/92/03/345729203.db2.gz ZFYBJRGRYYCGFY-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@]1(C[NH3+])CCN(CCO)C1 307062938 345787569 /nfs/dbraw/zinc/78/75/69/345787569.db2.gz GQLQCMYPEWFFMP-QMMMGPOBSA-N 1 3 158.245 -0.351 20 0 ABADHO C[C@@]1(CN)CC[N@H+](CCO)C1 307062938 345787571 /nfs/dbraw/zinc/78/75/71/345787571.db2.gz GQLQCMYPEWFFMP-QMMMGPOBSA-N 1 3 158.245 -0.351 20 0 ABADHO C[C@@]1(CN)CC[N@@H+](CCO)C1 307062938 345787574 /nfs/dbraw/zinc/78/75/74/345787574.db2.gz GQLQCMYPEWFFMP-QMMMGPOBSA-N 1 3 158.245 -0.351 20 0 ABADHO C[C@]1(C[NH3+])CCN(CCO)C1 307062929 345787744 /nfs/dbraw/zinc/78/77/44/345787744.db2.gz GQLQCMYPEWFFMP-MRVPVSSYSA-N 1 3 158.245 -0.351 20 0 ABADHO C[C@]1(CN)CC[N@H+](CCO)C1 307062929 345787748 /nfs/dbraw/zinc/78/77/48/345787748.db2.gz GQLQCMYPEWFFMP-MRVPVSSYSA-N 1 3 158.245 -0.351 20 0 ABADHO C[C@]1(CN)CC[N@@H+](CCO)C1 307062929 345787749 /nfs/dbraw/zinc/78/77/49/345787749.db2.gz GQLQCMYPEWFFMP-MRVPVSSYSA-N 1 3 158.245 -0.351 20 0 ABADHO CC[C@@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 307067598 345790511 /nfs/dbraw/zinc/79/05/11/345790511.db2.gz SQNZWIYWVMNRFW-LPEHRKFASA-N 1 3 184.283 -0.092 20 0 ABADHO C[NH2+]CC(=O)N1CCN[C@@H](C)[C@@H]1C 307074637 345794446 /nfs/dbraw/zinc/79/44/46/345794446.db2.gz NFUNYOPOLGTUPM-YUMQZZPRSA-N 1 3 185.271 -0.585 20 0 ABADHO C[NH2+]CC(=O)N1CCN[C@H](C)[C@H]1C 307074631 345794528 /nfs/dbraw/zinc/79/45/28/345794528.db2.gz NFUNYOPOLGTUPM-HTQZYQBOSA-N 1 3 185.271 -0.585 20 0 ABADHO C[NH2+]CC(=O)N1CCN[C@@H](C)[C@H]1C 307074633 345794548 /nfs/dbraw/zinc/79/45/48/345794548.db2.gz NFUNYOPOLGTUPM-JGVFFNPUSA-N 1 3 185.271 -0.585 20 0 ABADHO CC1(C(=O)N2CCCNCC2)C[NH2+]C1 307089005 345803436 /nfs/dbraw/zinc/80/34/36/345803436.db2.gz NTJIGIKHGIBKKI-UHFFFAOYSA-N 1 3 197.282 -0.582 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 307101239 345810138 /nfs/dbraw/zinc/81/01/38/345810138.db2.gz UNZLKYZLYSNTLH-HLTSFMKQSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@H](C)C1 307101240 345810333 /nfs/dbraw/zinc/81/03/33/345810333.db2.gz UNZLKYZLYSNTLH-YIZRAAEISA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 307101238 345810428 /nfs/dbraw/zinc/81/04/28/345810428.db2.gz UNZLKYZLYSNTLH-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](N)C(=O)NC(C)(C)C[NH3+] 307127224 345824621 /nfs/dbraw/zinc/82/46/21/345824621.db2.gz ISMBPOFDOZNAML-RXMQYKEDSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@H](C[NH3+])NC(=O)C1(N)CCCC1 307149002 345842037 /nfs/dbraw/zinc/84/20/37/345842037.db2.gz QKXXAMABCTYWII-SSDOTTSWSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@H](N)C(=O)NC1(C)CC[NH2+]CC1 307155497 345847870 /nfs/dbraw/zinc/84/78/70/345847870.db2.gz VRAVHDIPIDLKBW-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO NCC(=O)N1CCC2(CC[NH2+]C2)CC1 307166236 345857648 /nfs/dbraw/zinc/85/76/48/345857648.db2.gz ONGONUGXUIFKBN-UHFFFAOYSA-N 1 3 197.282 -0.453 20 0 ABADHO C[C@H](N)C(=O)NCC(C)(C)[NH3+] 307177594 345868086 /nfs/dbraw/zinc/86/80/86/345868086.db2.gz IICFYAHTGWDGSX-YFKPBYRVSA-N 1 3 159.233 -0.813 20 0 ABADHO [NH3+]CC1(C2(O)CNC2)CC1 307180979 345870346 /nfs/dbraw/zinc/87/03/46/345870346.db2.gz QAVOLZLKMONELW-UHFFFAOYSA-N 1 3 142.202 -0.940 20 0 ABADHO CC(C)(N)C(=O)NCC1CC[NH2+]CC1 307242379 345916930 /nfs/dbraw/zinc/91/69/30/345916930.db2.gz JGKHLZCHQXAYSZ-UHFFFAOYSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@H]1CN(CC[NH3+])[C@H](C)CN1C 307248984 345921417 /nfs/dbraw/zinc/92/14/17/345921417.db2.gz IQIXVNYIXLJSCX-DTWKUNHWSA-N 1 3 171.288 -0.031 20 0 ABADHO CN(C)[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 307255651 345927231 /nfs/dbraw/zinc/92/72/31/345927231.db2.gz BLBNHMNBJVXWHO-DTWKUNHWSA-N 1 3 197.282 -0.489 20 0 ABADHO C[C@H]1CN(C(=O)C[NH3+])[C@@H](C)CN1 307284474 345947176 /nfs/dbraw/zinc/94/71/76/345947176.db2.gz NIQWGVRSJZPWMF-BQBZGAKWSA-N 1 3 171.244 -0.846 20 0 ABADHO NCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 307285014 345947203 /nfs/dbraw/zinc/94/72/03/345947203.db2.gz KDOPQAJPHWGAQF-VIFPVBQESA-N 1 3 183.255 -0.843 20 0 ABADHO NCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 307285013 345947238 /nfs/dbraw/zinc/94/72/38/345947238.db2.gz KDOPQAJPHWGAQF-SECBINFHSA-N 1 3 183.255 -0.843 20 0 ABADHO C[C@H]1CN[C@H](C)CN1C(=O)C[NH3+] 307284477 345947259 /nfs/dbraw/zinc/94/72/59/345947259.db2.gz NIQWGVRSJZPWMF-RQJHMYQMSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H]1CN(C(=O)C[NH3+])[C@H](C)CN1 307284475 345947283 /nfs/dbraw/zinc/94/72/83/345947283.db2.gz NIQWGVRSJZPWMF-NKWVEPMBSA-N 1 3 171.244 -0.846 20 0 ABADHO NCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 307320525 345968718 /nfs/dbraw/zinc/96/87/18/345968718.db2.gz OYDCEPGENPEAHH-SFYZADRCSA-N 1 3 183.255 -0.845 20 0 ABADHO NCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 307320521 345968741 /nfs/dbraw/zinc/96/87/41/345968741.db2.gz OYDCEPGENPEAHH-HTQZYQBOSA-N 1 3 183.255 -0.845 20 0 ABADHO NCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 307320523 345968982 /nfs/dbraw/zinc/96/89/82/345968982.db2.gz OYDCEPGENPEAHH-JGVFFNPUSA-N 1 3 183.255 -0.845 20 0 ABADHO NCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 307320527 345969045 /nfs/dbraw/zinc/96/90/45/345969045.db2.gz OYDCEPGENPEAHH-YUMQZZPRSA-N 1 3 183.255 -0.845 20 0 ABADHO C[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 307324612 345971557 /nfs/dbraw/zinc/97/15/57/345971557.db2.gz SAGMAYCNTJKMQO-SFYZADRCSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 307324617 345971659 /nfs/dbraw/zinc/97/16/59/345971659.db2.gz SAGMAYCNTJKMQO-YUMQZZPRSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@@H]1CCCCN1 307386342 346009157 /nfs/dbraw/zinc/00/91/57/346009157.db2.gz ATIVVXHOLMMKQM-SFYZADRCSA-N 1 3 185.271 -0.408 20 0 ABADHO CNCC(=O)N[C@H]1CC12CC[NH2+]CC2 307399287 346017839 /nfs/dbraw/zinc/01/78/39/346017839.db2.gz WBCOVOALFHVBBC-QMMMGPOBSA-N 1 3 197.282 -0.536 20 0 ABADHO CNCC(=O)N[C@@H]1CC12CC[NH2+]CC2 307399286 346017905 /nfs/dbraw/zinc/01/79/05/346017905.db2.gz WBCOVOALFHVBBC-MRVPVSSYSA-N 1 3 197.282 -0.536 20 0 ABADHO CC(C)(N)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 307411976 346027237 /nfs/dbraw/zinc/02/72/37/346027237.db2.gz HNXRZNUTLQHMDR-ZMONIFLSSA-N 1 3 183.255 -0.942 20 0 ABADHO C[C@H]1[C@@H](C)NCCN1C(=O)[C@@H](C)[NH3+] 307454330 346050339 /nfs/dbraw/zinc/05/03/39/346050339.db2.gz WGSXLQLFEDTXGH-PRJMDXOYSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C 307454327 346050406 /nfs/dbraw/zinc/05/04/06/346050406.db2.gz WGSXLQLFEDTXGH-BWZBUEFSSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@@H]1NCCN(C(=O)[C@@H](C)[NH3+])[C@@H]1C 307454329 346050636 /nfs/dbraw/zinc/05/06/36/346050636.db2.gz WGSXLQLFEDTXGH-GJMOJQLCSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@@H]1NCCN(C(=O)[C@@H](C)[NH3+])[C@H]1C 307454328 346050703 /nfs/dbraw/zinc/05/07/03/346050703.db2.gz WGSXLQLFEDTXGH-CSMHCCOUSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 307461288 346054392 /nfs/dbraw/zinc/05/43/92/346054392.db2.gz FSWXLEBMUNIBGQ-NKWVEPMBSA-N 1 3 171.244 -0.798 20 0 ABADHO OCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 307531097 346094723 /nfs/dbraw/zinc/09/47/23/346094723.db2.gz STOKUYTYZDBEOK-DTWKUNHWSA-N 1 3 170.256 -0.480 20 0 ABADHO OCC[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 307531097 346094725 /nfs/dbraw/zinc/09/47/25/346094725.db2.gz STOKUYTYZDBEOK-DTWKUNHWSA-N 1 3 170.256 -0.480 20 0 ABADHO OCC[N@H+]1C[C@@H]2CCNC[C@@H]2C1 307531097 346094728 /nfs/dbraw/zinc/09/47/28/346094728.db2.gz STOKUYTYZDBEOK-DTWKUNHWSA-N 1 3 170.256 -0.480 20 0 ABADHO OCCN1C[C@H]2CC[NH2+]C[C@H]2C1 307531095 346094990 /nfs/dbraw/zinc/09/49/90/346094990.db2.gz STOKUYTYZDBEOK-BDAKNGLRSA-N 1 3 170.256 -0.480 20 0 ABADHO OCC[N@@H+]1C[C@H]2CCNC[C@H]2C1 307531095 346094992 /nfs/dbraw/zinc/09/49/92/346094992.db2.gz STOKUYTYZDBEOK-BDAKNGLRSA-N 1 3 170.256 -0.480 20 0 ABADHO OCC[N@H+]1C[C@H]2CCNC[C@H]2C1 307531095 346094994 /nfs/dbraw/zinc/09/49/94/346094994.db2.gz STOKUYTYZDBEOK-BDAKNGLRSA-N 1 3 170.256 -0.480 20 0 ABADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CN 307531522 346095243 /nfs/dbraw/zinc/09/52/43/346095243.db2.gz XLJDEEYGVKQNOZ-RQJHMYQMSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CN 307531519 346095458 /nfs/dbraw/zinc/09/54/58/346095458.db2.gz XLJDEEYGVKQNOZ-BQBZGAKWSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CN 307531521 346095465 /nfs/dbraw/zinc/09/54/65/346095465.db2.gz XLJDEEYGVKQNOZ-RNFRBKRXSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CN 307531520 346095524 /nfs/dbraw/zinc/09/55/24/346095524.db2.gz XLJDEEYGVKQNOZ-NKWVEPMBSA-N 1 3 171.244 -0.717 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1C[C@H](C)NC[C@H]1C 307542402 346102349 /nfs/dbraw/zinc/10/23/49/346102349.db2.gz ZFYBJRGRYYCGFY-DJLDLDEBSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C 307542406 346102390 /nfs/dbraw/zinc/10/23/90/346102390.db2.gz ZFYBJRGRYYCGFY-IWSPIJDZSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C 307542408 346102412 /nfs/dbraw/zinc/10/24/12/346102412.db2.gz ZFYBJRGRYYCGFY-XHNCKOQMSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C 307542404 346102532 /nfs/dbraw/zinc/10/25/32/346102532.db2.gz ZFYBJRGRYYCGFY-HRDYMLBCSA-N 1 3 199.298 -0.068 20 0 ABADHO NC1(C(=O)N2CCC[C@H]([NH3+])C2)CC1 307555064 346109864 /nfs/dbraw/zinc/10/98/64/346109864.db2.gz SQOQEFLVRINLJH-ZETCQYMHSA-N 1 3 183.255 -0.573 20 0 ABADHO NC1(C(=O)N2CCC[C@@H]([NH3+])C2)CC1 307555063 346109879 /nfs/dbraw/zinc/10/98/79/346109879.db2.gz SQOQEFLVRINLJH-SSDOTTSWSA-N 1 3 183.255 -0.573 20 0 ABADHO CNC(=[NH2+])NCC1=CCN(C)CC1 307561955 346113804 /nfs/dbraw/zinc/11/38/04/346113804.db2.gz JWBOBJBJGSLMKA-UHFFFAOYSA-N 1 3 182.271 -0.008 20 0 ABADHO CN1CC=C(CNC(N)=[NH2+])CC1 307568219 346117921 /nfs/dbraw/zinc/11/79/21/346117921.db2.gz SOYNEQIBHVLVEY-UHFFFAOYSA-N 1 3 168.244 -0.269 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H](C)[NH3+])[C@@H](C)CN1 307607629 346143346 /nfs/dbraw/zinc/14/33/46/346143346.db2.gz BYCSLNZGQNTBKI-BIIVOSGPSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H](C)[NH3+])[C@H](C)CN1 307607630 346143691 /nfs/dbraw/zinc/14/36/91/346143691.db2.gz BYCSLNZGQNTBKI-XLPZGREQSA-N 1 3 185.271 -0.458 20 0 ABADHO NC1(C(=O)N2CCC([NH3+])CC2)CC1 307613662 346147389 /nfs/dbraw/zinc/14/73/89/346147389.db2.gz KBMYLXBBOZGLSW-UHFFFAOYSA-N 1 3 183.255 -0.573 20 0 ABADHO C[NH2+]CC(=O)N1C[C@@H](C)NC[C@H]1C 307641618 346163631 /nfs/dbraw/zinc/16/36/31/346163631.db2.gz IRHKQLPNQXMFNS-HTQZYQBOSA-N 1 3 185.271 -0.585 20 0 ABADHO C[NH2+]CC(=O)N1C[C@@H](C)NC[C@@H]1C 307641620 346163661 /nfs/dbraw/zinc/16/36/61/346163661.db2.gz IRHKQLPNQXMFNS-SFYZADRCSA-N 1 3 185.271 -0.585 20 0 ABADHO C[NH2+]CC(=O)N1C[C@H](C)NC[C@@H]1C 307641621 346163774 /nfs/dbraw/zinc/16/37/74/346163774.db2.gz IRHKQLPNQXMFNS-YUMQZZPRSA-N 1 3 185.271 -0.585 20 0 ABADHO C[NH2+]CC(=O)N1C[C@H](C)NC[C@H]1C 307641619 346163793 /nfs/dbraw/zinc/16/37/93/346163793.db2.gz IRHKQLPNQXMFNS-JGVFFNPUSA-N 1 3 185.271 -0.585 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@H](C)N 307682987 346180877 /nfs/dbraw/zinc/18/08/77/346180877.db2.gz GHRNKPIZQKYULT-WDSKDSINSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@@H](C)N 307682984 346180943 /nfs/dbraw/zinc/18/09/43/346180943.db2.gz GHRNKPIZQKYULT-NTSWFWBYSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@]1(CNC(=O)CN)CCC[NH2+]C1 307683552 346181596 /nfs/dbraw/zinc/18/15/96/346181596.db2.gz HIBIHYFJMKAFMZ-VIFPVBQESA-N 1 3 185.271 -0.549 20 0 ABADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CN 307695316 346188875 /nfs/dbraw/zinc/18/88/75/346188875.db2.gz FLSIADGNYRFNCB-MRVPVSSYSA-N 1 3 199.298 -0.161 20 0 ABADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)CN 307695317 346188953 /nfs/dbraw/zinc/18/89/53/346188953.db2.gz FLSIADGNYRFNCB-QMMMGPOBSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@H]1CN(C(=O)C2([NH3+])CC2)C[C@H](C)N1 307715019 346199299 /nfs/dbraw/zinc/19/92/99/346199299.db2.gz FFWNKEHMSHXJGJ-YUMQZZPRSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@H]1CN(C(=O)C2([NH3+])CC2)C[C@@H](C)N1 307715018 346199391 /nfs/dbraw/zinc/19/93/91/346199391.db2.gz FFWNKEHMSHXJGJ-OCAPTIKFSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@H]1[C@@H](C)NCCN1C(=O)CC[NH3+] 307715767 346199832 /nfs/dbraw/zinc/19/98/32/346199832.db2.gz GNPHIUHYWRQTQU-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H]1NCCN(C(=O)CC[NH3+])[C@@H]1C 307715765 346199891 /nfs/dbraw/zinc/19/98/91/346199891.db2.gz GNPHIUHYWRQTQU-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO NCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 307720331 346201860 /nfs/dbraw/zinc/20/18/60/346201860.db2.gz OQVDMFIEUPIGHA-SFYZADRCSA-N 1 3 183.255 -0.702 20 0 ABADHO C[C@H]1CN[C@H](C)CN1C(=O)CC[NH3+] 307748596 346218386 /nfs/dbraw/zinc/21/83/86/346218386.db2.gz CJBABSKZARWACT-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H]1CN(C(=O)CC[NH3+])[C@@H](C)CN1 307748597 346218445 /nfs/dbraw/zinc/21/84/45/346218445.db2.gz CJBABSKZARWACT-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H]1CN(C(=O)CC[NH3+])[C@H](C)CN1 307748595 346218449 /nfs/dbraw/zinc/21/84/49/346218449.db2.gz CJBABSKZARWACT-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO CC1(C)CNCCN1C(=O)C[NH3+] 307758609 346225831 /nfs/dbraw/zinc/22/58/31/346225831.db2.gz PDWZEXTXKDJOEL-UHFFFAOYSA-N 1 3 171.244 -0.845 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)C(C)(C)N 308381185 346295512 /nfs/dbraw/zinc/29/55/12/346295512.db2.gz QNXSSEVHEBFBOQ-LURJTMIESA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@@H](N)C(=O)NCC[C@H](C)[NH3+] 308403760 346298748 /nfs/dbraw/zinc/29/87/48/346298748.db2.gz KFLLNFQQQBWODL-NKWVEPMBSA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@H](N)C(=O)NCC[C@H](C)[NH3+] 308403759 346299057 /nfs/dbraw/zinc/29/90/57/346299057.db2.gz KFLLNFQQQBWODL-BQBZGAKWSA-N 1 3 173.260 -0.423 20 0 ABADHO CC(C)[C@H](N)C(=O)NCC[C@H](C)[NH3+] 308508354 346309676 /nfs/dbraw/zinc/30/96/76/346309676.db2.gz JPVVSOKMIZDUMJ-YUMQZZPRSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)[C@@H](N)C(=O)NCC[C@H](C)[NH3+] 308508350 346309926 /nfs/dbraw/zinc/30/99/26/346309926.db2.gz JPVVSOKMIZDUMJ-JGVFFNPUSA-N 1 3 187.287 -0.177 20 0 ABADHO CNCC(=O)N1CCC[C@H]([NH2+]C)C1 308550071 346312112 /nfs/dbraw/zinc/31/21/12/346312112.db2.gz VCQMGSNKBPDUPS-QMMMGPOBSA-N 1 3 185.271 -0.584 20 0 ABADHO CNCC(=O)N1CCCC[C@@H]1C[NH3+] 308586358 346313835 /nfs/dbraw/zinc/31/38/35/346313835.db2.gz SBZQKPLAVMUPKD-MRVPVSSYSA-N 1 3 185.271 -0.454 20 0 ABADHO CNCC(=O)N1CCCC[C@H]1C[NH3+] 308586359 346313859 /nfs/dbraw/zinc/31/38/59/346313859.db2.gz SBZQKPLAVMUPKD-QMMMGPOBSA-N 1 3 185.271 -0.454 20 0 ABADHO CNCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 309020758 346319727 /nfs/dbraw/zinc/31/97/27/346319727.db2.gz WTWVMNBITISQRM-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H]1[C@@H](C)NCCN1C(=O)CCC[NH3+] 309126489 346319877 /nfs/dbraw/zinc/31/98/77/346319877.db2.gz PWTCSGGDGBYEIC-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCN1 308996699 346319890 /nfs/dbraw/zinc/31/98/90/346319890.db2.gz MULGTNTZFWHLAA-IUCAKERBSA-N 1 3 199.298 -0.018 20 0 ABADHO CNCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 309020760 346320051 /nfs/dbraw/zinc/32/00/51/346320051.db2.gz WTWVMNBITISQRM-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@H]1CCCCN1 309119125 346320201 /nfs/dbraw/zinc/32/02/01/346320201.db2.gz MULGTNTZFWHLAA-DTWKUNHWSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H]1NCCN(C(=O)CCC[NH3+])[C@@H]1C 309126492 346320235 /nfs/dbraw/zinc/32/02/35/346320235.db2.gz PWTCSGGDGBYEIC-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CNCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 309020757 346320352 /nfs/dbraw/zinc/32/03/52/346320352.db2.gz WTWVMNBITISQRM-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 309020759 346320433 /nfs/dbraw/zinc/32/04/33/346320433.db2.gz WTWVMNBITISQRM-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H]1CCN[C@H](C(=O)N(C)CC[NH3+])C1 334962954 346372207 /nfs/dbraw/zinc/37/22/07/346372207.db2.gz YUPZOWDPANFKBV-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H]1CCN[C@@H](C(=O)N(C)CC[NH3+])C1 334962953 346372164 /nfs/dbraw/zinc/37/21/64/346372164.db2.gz YUPZOWDPANFKBV-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CN(C(=O)[C@@H]1C[C@@H]1N)C1CC[NH2+]CC1 335038180 346376137 /nfs/dbraw/zinc/37/61/37/346376137.db2.gz OQLPCFWEQAKCSV-BDAKNGLRSA-N 1 3 197.282 -0.456 20 0 ABADHO CN(C(=O)[C@@H]1C[C@@H]1N)C1CC([NH3+])C1 335282002 346385816 /nfs/dbraw/zinc/38/58/16/346385816.db2.gz PLAJLRDXANUDGU-CRYROECRSA-N 1 3 183.255 -0.718 20 0 ABADHO CC1(C)CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCN1 335283744 346385868 /nfs/dbraw/zinc/38/58/68/346385868.db2.gz RSJKNVBZWDUHPC-SFYZADRCSA-N 1 3 197.282 -0.456 20 0 ABADHO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N 335280237 346385897 /nfs/dbraw/zinc/38/58/97/346385897.db2.gz LAOXLWCZFPWLSS-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CC1(NC(=O)[C@@H]2C[C@@H]2N)CC[NH2+]CC1 335283997 346385982 /nfs/dbraw/zinc/38/59/82/346385982.db2.gz ZWOXUXITXUKRRS-SFYZADRCSA-N 1 3 197.282 -0.408 20 0 ABADHO C[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 335343834 346390685 /nfs/dbraw/zinc/39/06/85/346390685.db2.gz AQOBFSPKZODDMW-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO CC1(C)CN(C(=O)C2([NH3+])CC2)CCN1 335344610 346390994 /nfs/dbraw/zinc/39/09/94/346390994.db2.gz IFCGNMHLTIDELN-UHFFFAOYSA-N 1 3 197.282 -0.312 20 0 ABADHO CC1(C)CN(C(=O)C[NH3+])CCN1 335344147 346391101 /nfs/dbraw/zinc/39/11/01/346391101.db2.gz FCRGENQAYWWESL-UHFFFAOYSA-N 1 3 171.244 -0.845 20 0 ABADHO C[C@H](N)C(=O)N(C)C1CC([NH3+])C1 335357518 346391598 /nfs/dbraw/zinc/39/15/98/346391598.db2.gz BXQPYOCMXOHYHT-VTSJMVTISA-N 1 3 171.244 -0.718 20 0 ABADHO CNCC(=O)N(C)C1CC([NH3+])C1 335360381 346391907 /nfs/dbraw/zinc/39/19/07/346391907.db2.gz ILIZBORAFLYOBM-UHFFFAOYSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H]1CN(C(=O)C(C)(C)N)C[C@@H]1[NH3+] 335384938 346392597 /nfs/dbraw/zinc/39/25/97/346392597.db2.gz IONLQTAQBHIPDH-BQBZGAKWSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H]1CN(C(=O)C2(N)CCC2)C[C@H]1[NH3+] 335379860 346392985 /nfs/dbraw/zinc/39/29/85/346392985.db2.gz JYEKLEVNCATXJH-JGVFFNPUSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@H]1CN(C(=O)C(C)(C)N)C[C@H]1[NH3+] 335384939 346392992 /nfs/dbraw/zinc/39/29/92/346392992.db2.gz IONLQTAQBHIPDH-NKWVEPMBSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H]1CN(C(=O)C2(N)CCC2)C[C@@H]1[NH3+] 335379867 346393120 /nfs/dbraw/zinc/39/31/20/346393120.db2.gz JYEKLEVNCATXJH-YUMQZZPRSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]([NH3+])C1 335390669 346393652 /nfs/dbraw/zinc/39/36/52/346393652.db2.gz RWSZBCNGGJAYSC-JGVFFNPUSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@H]1CCN(C(=O)CN)C[C@@H]1C[NH3+] 335393319 346393727 /nfs/dbraw/zinc/39/37/27/346393727.db2.gz ACOOLUUXUKTGIU-YUMQZZPRSA-N 1 3 185.271 -0.612 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 335388472 346393740 /nfs/dbraw/zinc/39/37/40/346393740.db2.gz VLQCPCFZHVSLLQ-CBAPKCEASA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@H]1CCN(C(=O)CN)C[C@H]1C[NH3+] 335393317 346393816 /nfs/dbraw/zinc/39/38/16/346393816.db2.gz ACOOLUUXUKTGIU-JGVFFNPUSA-N 1 3 185.271 -0.612 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 335388473 346393819 /nfs/dbraw/zinc/39/38/19/346393819.db2.gz VLQCPCFZHVSLLQ-IONNQARKSA-N 1 3 197.282 -0.314 20 0 ABADHO CN(CC[NH3+])C(=O)[C@@H]1CCCCN1 335397730 346394279 /nfs/dbraw/zinc/39/42/79/346394279.db2.gz WIJZDHHJKBEKDJ-QMMMGPOBSA-N 1 3 185.271 -0.454 20 0 ABADHO CN(CC[NH3+])C(=O)[C@H]1CCCCN1 335397729 346394196 /nfs/dbraw/zinc/39/41/96/346394196.db2.gz WIJZDHHJKBEKDJ-MRVPVSSYSA-N 1 3 185.271 -0.454 20 0 ABADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]([NH3+])C1 335407638 346395078 /nfs/dbraw/zinc/39/50/78/346395078.db2.gz RWSZBCNGGJAYSC-YUMQZZPRSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C 335432743 346396631 /nfs/dbraw/zinc/39/66/31/346396631.db2.gz FLSUPFXASFNWDZ-NKWVEPMBSA-N 1 3 185.271 -0.410 20 0 ABADHO C[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 335438043 346396688 /nfs/dbraw/zinc/39/66/88/346396688.db2.gz SKJFBZOUTGIRTK-ZETCQYMHSA-N 1 3 185.271 -0.327 20 0 ABADHO CNCC(=O)N[C@@H]1CC[NH2+]C1(C)C 335436072 346396734 /nfs/dbraw/zinc/39/67/34/346396734.db2.gz VKQMDIRLAULFQI-SSDOTTSWSA-N 1 3 185.271 -0.538 20 0 ABADHO CNCC(=O)N[C@H]1CC[NH2+]C1(C)C 335436073 346396922 /nfs/dbraw/zinc/39/69/22/346396922.db2.gz VKQMDIRLAULFQI-ZETCQYMHSA-N 1 3 185.271 -0.538 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C 335432742 346396995 /nfs/dbraw/zinc/39/69/95/346396995.db2.gz FLSUPFXASFNWDZ-BQBZGAKWSA-N 1 3 185.271 -0.410 20 0 ABADHO C[NH2+]CCC(=O)N1CCNC(C)(C)C1 335596770 346407759 /nfs/dbraw/zinc/40/77/59/346407759.db2.gz AQLPQDRYPZQPEU-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO CC1(C)CN(C(=O)[C@H]2CC[NH2+]2)CCN1 335598953 346408183 /nfs/dbraw/zinc/40/81/83/346408183.db2.gz MZKPUMDFFOKEEV-MRVPVSSYSA-N 1 3 197.282 -0.441 20 0 ABADHO CC[C@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 335603060 346408457 /nfs/dbraw/zinc/40/84/57/346408457.db2.gz LALVJABWLPWREK-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[C@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 335603059 346408240 /nfs/dbraw/zinc/40/82/40/346408240.db2.gz LALVJABWLPWREK-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1CN[C@H](C)CN1C(=O)CCC[NH3+] 335603686 346408264 /nfs/dbraw/zinc/40/82/64/346408264.db2.gz BOAUQHMLIMLZBU-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO CNCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] 335606841 346408312 /nfs/dbraw/zinc/40/83/12/346408312.db2.gz WNKQYZXFOIPZQP-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1CCNC(C)(C)C1 335598983 346408416 /nfs/dbraw/zinc/40/84/16/346408416.db2.gz OUHFFTRMOIHLOO-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CC1(C)CN(C(=O)CCC[NH3+])CCN1 335599009 346408446 /nfs/dbraw/zinc/40/84/46/346408446.db2.gz PRUJKGPRBPMICG-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CC1(C)CN(C(=O)CC[NH3+])CCN1 335598444 346408468 /nfs/dbraw/zinc/40/84/68/346408468.db2.gz IPSHLXOAJJESAO-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO C[C@H](C[NH3+])C(=O)N1CCNC(C)(C)C1 335599922 346408471 /nfs/dbraw/zinc/40/84/71/346408471.db2.gz XTICIKRLPIWPRD-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] 335606839 346408507 /nfs/dbraw/zinc/40/85/07/346408507.db2.gz WNKQYZXFOIPZQP-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO CNCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] 335606840 346408519 /nfs/dbraw/zinc/40/85/19/346408519.db2.gz WNKQYZXFOIPZQP-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1CN(C(=O)CCC[NH3+])[C@H](C)CN1 335603687 346408546 /nfs/dbraw/zinc/40/85/46/346408546.db2.gz BOAUQHMLIMLZBU-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1CN(C(=O)CCC[NH3+])[C@@H](C)CN1 335603688 346408549 /nfs/dbraw/zinc/40/85/49/346408549.db2.gz BOAUQHMLIMLZBU-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CNCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] 335606842 346408552 /nfs/dbraw/zinc/40/85/52/346408552.db2.gz WNKQYZXFOIPZQP-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+]CCC(=O)N1C[C@@H](C)NC[C@H]1C 335620209 346408739 /nfs/dbraw/zinc/40/87/39/346408739.db2.gz MWJDEOXVJDACPG-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@H](N)C(=O)N1CCC[C@@H]1C[NH3+] 335607772 346408889 /nfs/dbraw/zinc/40/88/89/346408889.db2.gz CPMJFRXPTAXNGQ-SFYZADRCSA-N 1 3 185.271 -0.327 20 0 ABADHO C[NH2+]CCC(=O)N1C[C@H](C)NC[C@@H]1C 335620208 346409163 /nfs/dbraw/zinc/40/91/63/346409163.db2.gz MWJDEOXVJDACPG-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO C[NH2+]CCC(=O)N1C[C@H](C)NC[C@H]1C 335620207 346409190 /nfs/dbraw/zinc/40/91/90/346409190.db2.gz MWJDEOXVJDACPG-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO C[NH2+]CCC(=O)N1C[C@@H](C)NC[C@@H]1C 335620206 346409213 /nfs/dbraw/zinc/40/92/13/346409213.db2.gz MWJDEOXVJDACPG-BDAKNGLRSA-N 1 3 199.298 -0.195 20 0 ABADHO C[NH2+]CCC(=O)N1CCN[C@@H](C)[C@@H]1C 335623848 346409682 /nfs/dbraw/zinc/40/96/82/346409682.db2.gz WMNPVLYUZFRCQO-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CC1(C)CN(C(=O)C(C)(C)[NH3+])CCN1 335626943 346409743 /nfs/dbraw/zinc/40/97/43/346409743.db2.gz MEKMQXGKMZCAMN-UHFFFAOYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+]CCC(=O)N1CCN[C@@H](C)[C@H]1C 335623846 346409879 /nfs/dbraw/zinc/40/98/79/346409879.db2.gz WMNPVLYUZFRCQO-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 335626970 346410016 /nfs/dbraw/zinc/41/00/16/346410016.db2.gz MVJMIYOFBLPSBD-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CN(CC[NH3+])C(=O)C1(N)CCC1 335657578 346411543 /nfs/dbraw/zinc/41/15/43/346411543.db2.gz PZZCLIUDPINPQY-UHFFFAOYSA-N 1 3 171.244 -0.715 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C 335663305 346411952 /nfs/dbraw/zinc/41/19/52/346411952.db2.gz VDTRNQOHMOEMKP-JGVFFNPUSA-N 1 3 199.298 -0.020 20 0 ABADHO CN(C(=O)CN)C1(C[NH3+])CCC1 335661519 346412027 /nfs/dbraw/zinc/41/20/27/346412027.db2.gz FIDDLKHWUPRPBB-UHFFFAOYSA-N 1 3 171.244 -0.715 20 0 ABADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)CN 335661357 346412227 /nfs/dbraw/zinc/41/22/27/346412227.db2.gz BNQODFJXOYNANM-LURJTMIESA-N 1 3 171.244 -0.798 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C 335663308 346412313 /nfs/dbraw/zinc/41/23/13/346412313.db2.gz VDTRNQOHMOEMKP-YUMQZZPRSA-N 1 3 199.298 -0.020 20 0 ABADHO CC[C@H](N)C(=O)N(C)C1CC([NH3+])C1 335663112 346412321 /nfs/dbraw/zinc/41/23/21/346412321.db2.gz SAZZXAHWDBXMEZ-RRQHEKLDSA-N 1 3 185.271 -0.328 20 0 ABADHO CC1(C)[NH2+]CC[C@H]1NC(=O)CN 335661359 346412439 /nfs/dbraw/zinc/41/24/39/346412439.db2.gz BNQODFJXOYNANM-ZCFIWIBFSA-N 1 3 171.244 -0.798 20 0 ABADHO CNCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] 336572520 346475876 /nfs/dbraw/zinc/47/58/76/346475876.db2.gz FSWJIBIXGKYLLA-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] 336572519 346476089 /nfs/dbraw/zinc/47/60/89/346476089.db2.gz FSWJIBIXGKYLLA-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] 336572521 346476259 /nfs/dbraw/zinc/47/62/59/346476259.db2.gz FSWJIBIXGKYLLA-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] 336572522 346476419 /nfs/dbraw/zinc/47/64/19/346476419.db2.gz FSWJIBIXGKYLLA-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO COCC[C@H](C)[N@H+](C)C[C@H](O)CN 379368691 346508109 /nfs/dbraw/zinc/50/81/09/346508109.db2.gz YXCNCRRZTRZNGE-DTWKUNHWSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@H](C)[N@@H+](C)C[C@H](O)CN 379368691 346508111 /nfs/dbraw/zinc/50/81/11/346508111.db2.gz YXCNCRRZTRZNGE-DTWKUNHWSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@H](C)N(C)C[C@H](O)C[NH3+] 379368691 346508114 /nfs/dbraw/zinc/50/81/14/346508114.db2.gz YXCNCRRZTRZNGE-DTWKUNHWSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@@H](C)[N@H+](C)C[C@@H](O)CN 379368689 346508185 /nfs/dbraw/zinc/50/81/85/346508185.db2.gz YXCNCRRZTRZNGE-BDAKNGLRSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN 379368689 346508188 /nfs/dbraw/zinc/50/81/88/346508188.db2.gz YXCNCRRZTRZNGE-BDAKNGLRSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@@H](C)N(C)C[C@@H](O)C[NH3+] 379368689 346508190 /nfs/dbraw/zinc/50/81/90/346508190.db2.gz YXCNCRRZTRZNGE-BDAKNGLRSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@H](C)[N@H+](C)C[C@@H](O)CN 379368693 346508230 /nfs/dbraw/zinc/50/82/30/346508230.db2.gz YXCNCRRZTRZNGE-IUCAKERBSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@H](C)[N@@H+](C)C[C@@H](O)CN 379368693 346508231 /nfs/dbraw/zinc/50/82/31/346508231.db2.gz YXCNCRRZTRZNGE-IUCAKERBSA-N 1 3 190.287 -0.337 20 0 ABADHO COCC[C@H](C)N(C)C[C@@H](O)C[NH3+] 379368693 346508234 /nfs/dbraw/zinc/50/82/34/346508234.db2.gz YXCNCRRZTRZNGE-IUCAKERBSA-N 1 3 190.287 -0.337 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)CNC1CC1 379574190 346526089 /nfs/dbraw/zinc/52/60/89/346526089.db2.gz JVTMAFIOZQKREI-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+]C1 393798292 346583416 /nfs/dbraw/zinc/58/34/16/346583416.db2.gz KEQXUZBCJIEPFW-SECBINFHSA-N 1 3 199.298 -0.194 20 0 ABADHO CC1(C)[C@@H]([NH3+])C[C@H]1NCCO 405397759 346665391 /nfs/dbraw/zinc/66/53/91/346665391.db2.gz OWNUKTPVDXOBFE-NKWVEPMBSA-N 1 3 158.245 -0.306 20 0 ABADHO CC1(C)[C@@H](N)C[C@H]1[NH2+]CCO 405397759 346665393 /nfs/dbraw/zinc/66/53/93/346665393.db2.gz OWNUKTPVDXOBFE-NKWVEPMBSA-N 1 3 158.245 -0.306 20 0 ABADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCO 405397758 346665514 /nfs/dbraw/zinc/66/55/14/346665514.db2.gz OWNUKTPVDXOBFE-BQBZGAKWSA-N 1 3 158.245 -0.306 20 0 ABADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCO 405397758 346665517 /nfs/dbraw/zinc/66/55/17/346665517.db2.gz OWNUKTPVDXOBFE-BQBZGAKWSA-N 1 3 158.245 -0.306 20 0 ABADHO CC1(C)[C@@H](NCCO)C[C@H]1[NH3+] 405397761 346665618 /nfs/dbraw/zinc/66/56/18/346665618.db2.gz OWNUKTPVDXOBFE-RQJHMYQMSA-N 1 3 158.245 -0.306 20 0 ABADHO CC1(C)[C@@H]([NH2+]CCO)C[C@H]1N 405397761 346665620 /nfs/dbraw/zinc/66/56/20/346665620.db2.gz OWNUKTPVDXOBFE-RQJHMYQMSA-N 1 3 158.245 -0.306 20 0 ABADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCO 405397760 346665691 /nfs/dbraw/zinc/66/56/91/346665691.db2.gz OWNUKTPVDXOBFE-RNFRBKRXSA-N 1 3 158.245 -0.306 20 0 ABADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCO 405397760 346665692 /nfs/dbraw/zinc/66/56/92/346665692.db2.gz OWNUKTPVDXOBFE-RNFRBKRXSA-N 1 3 158.245 -0.306 20 0 ABADHO NCc1cn(C2CC[NH2+]CC2)nn1 409423131 346680076 /nfs/dbraw/zinc/68/00/76/346680076.db2.gz ACNLAVAXIHNEDA-UHFFFAOYSA-N 1 3 181.243 -0.339 20 0 ABADHO NCCC[N@H+]1C[C@H]2COC[C@H]2C1 409432214 346693432 /nfs/dbraw/zinc/69/34/32/346693432.db2.gz UWSPFAGSWPOVOQ-DTORHVGOSA-N 1 3 170.256 -0.087 20 0 ABADHO NCCC[N@@H+]1C[C@H]2COC[C@H]2C1 409432214 346693433 /nfs/dbraw/zinc/69/34/33/346693433.db2.gz UWSPFAGSWPOVOQ-DTORHVGOSA-N 1 3 170.256 -0.087 20 0 ABADHO C[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 621684302 347229778 /nfs/dbraw/zinc/22/97/78/347229778.db2.gz KDQAIEOQKAUNHF-QXFUBDJGSA-N 1 3 197.282 -0.327 20 0 ABADHO NCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 621684855 347229795 /nfs/dbraw/zinc/22/97/95/347229795.db2.gz UKZUCJLJJHZLEH-VXNVDRBHSA-N 1 3 183.255 -0.715 20 0 ABADHO NCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 621684853 347229822 /nfs/dbraw/zinc/22/98/22/347229822.db2.gz UKZUCJLJJHZLEH-CBAPKCEASA-N 1 3 183.255 -0.715 20 0 ABADHO CNCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 621684184 347229857 /nfs/dbraw/zinc/22/98/57/347229857.db2.gz INFKPMYTKXCUHK-WCBMZHEXSA-N 1 3 197.282 -0.454 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 621684301 347229954 /nfs/dbraw/zinc/22/99/54/347229954.db2.gz KDQAIEOQKAUNHF-OYNCUSHFSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 621684298 347230140 /nfs/dbraw/zinc/23/01/40/347230140.db2.gz KDQAIEOQKAUNHF-MRTMQBJTSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 621684304 347229982 /nfs/dbraw/zinc/22/99/82/347229982.db2.gz KDQAIEOQKAUNHF-XKSSXDPKSA-N 1 3 197.282 -0.327 20 0 ABADHO CNCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 621684182 347230010 /nfs/dbraw/zinc/23/00/10/347230010.db2.gz INFKPMYTKXCUHK-PSASIEDQSA-N 1 3 197.282 -0.454 20 0 ABADHO NCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 621684852 347230018 /nfs/dbraw/zinc/23/00/18/347230018.db2.gz UKZUCJLJJHZLEH-APPZFPTMSA-N 1 3 183.255 -0.715 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 621684303 347230041 /nfs/dbraw/zinc/23/00/41/347230041.db2.gz KDQAIEOQKAUNHF-WEDXCCLWSA-N 1 3 197.282 -0.327 20 0 ABADHO NCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 621684854 347230131 /nfs/dbraw/zinc/23/01/31/347230131.db2.gz UKZUCJLJJHZLEH-IONNQARKSA-N 1 3 183.255 -0.715 20 0 ABADHO CNCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 621684185 347230167 /nfs/dbraw/zinc/23/01/67/347230167.db2.gz INFKPMYTKXCUHK-WPRPVWTQSA-N 1 3 197.282 -0.454 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 621684300 347230278 /nfs/dbraw/zinc/23/02/78/347230278.db2.gz KDQAIEOQKAUNHF-NRPADANISA-N 1 3 197.282 -0.327 20 0 ABADHO CNCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 621684183 347230313 /nfs/dbraw/zinc/23/03/13/347230313.db2.gz INFKPMYTKXCUHK-SCZZXKLOSA-N 1 3 197.282 -0.454 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 621684297 347230350 /nfs/dbraw/zinc/23/03/50/347230350.db2.gz KDQAIEOQKAUNHF-KHQFGBGNSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 621684299 347230372 /nfs/dbraw/zinc/23/03/72/347230372.db2.gz KDQAIEOQKAUNHF-NQMVMOMDSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)C1(N)CCC1 621702874 347230540 /nfs/dbraw/zinc/23/05/40/347230540.db2.gz KXIDMFWFAMRYDI-ZETCQYMHSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@@H](N)C1CCC1 621702829 347230578 /nfs/dbraw/zinc/23/05/78/347230578.db2.gz HIOWSKLGASJEDY-CBAPKCEASA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@H](N)C1CCC1 621702830 347230637 /nfs/dbraw/zinc/23/06/37/347230637.db2.gz HIOWSKLGASJEDY-IONNQARKSA-N 1 3 199.298 -0.033 20 0 ABADHO CC(C)NCC(=O)NCC[C@H](C)[NH3+] 621702215 347230683 /nfs/dbraw/zinc/23/06/83/347230683.db2.gz LRYBSERTFJQZHV-QMMMGPOBSA-N 1 3 187.287 -0.162 20 0 ABADHO CN[C@@H](C)C(=O)NCC[C@H](C)[NH3+] 621702074 347230932 /nfs/dbraw/zinc/23/09/32/347230932.db2.gz DPBKWTJGJVJKAS-BQBZGAKWSA-N 1 3 173.260 -0.552 20 0 ABADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])C1)N(C)C 629611682 347352377 /nfs/dbraw/zinc/35/23/77/347352377.db2.gz ANBNYWFUUHHYNS-DTWKUNHWSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[C@H](C(=O)N[C@H](C)C[NH3+])N(C)C 629612155 347352389 /nfs/dbraw/zinc/35/23/89/347352389.db2.gz VLOZJLAYJTXIEF-HTQZYQBOSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@@H](C(=O)NCC[NH2+]C)N(C)C 629614492 347352398 /nfs/dbraw/zinc/35/23/98/347352398.db2.gz LMVDGHRWOVGSQS-QMMMGPOBSA-N 1 3 187.287 -0.338 20 0 ABADHO CC[C@H](C(=O)NC[C@H](C)[NH3+])N(C)C 629613420 347352428 /nfs/dbraw/zinc/35/24/28/347352428.db2.gz OLHVCQANMAJRJE-JGVFFNPUSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@@H](C(=O)N(C)CC[NH3+])N(C)C 629614173 347352439 /nfs/dbraw/zinc/35/24/39/347352439.db2.gz DJFNGQUFLROJDH-QMMMGPOBSA-N 1 3 187.287 -0.256 20 0 ABADHO CC[C@H](C(=O)NCC[NH2+]C)N(C)C 629614491 347352460 /nfs/dbraw/zinc/35/24/60/347352460.db2.gz LMVDGHRWOVGSQS-MRVPVSSYSA-N 1 3 187.287 -0.338 20 0 ABADHO CC[C@H](C(=O)N[C@H]1CC[NH2+]C1)N(C)C 629610997 347352473 /nfs/dbraw/zinc/35/24/73/347352473.db2.gz LCPGEEZJCRRUKR-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@@H](C(=O)NC[C@@H](C)[NH3+])N(C)C 629613423 347352490 /nfs/dbraw/zinc/35/24/90/347352490.db2.gz OLHVCQANMAJRJE-SFYZADRCSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@@H](C(=O)NCC1C[NH2+]C1)N(C)C 629612146 347352495 /nfs/dbraw/zinc/35/24/95/347352495.db2.gz VAUAVSSUDLVWHD-VIFPVBQESA-N 1 3 199.298 -0.338 20 0 ABADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)N(C)C 629611000 347352497 /nfs/dbraw/zinc/35/24/97/347352497.db2.gz LCPGEEZJCRRUKR-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@H](C(=O)NC[C@@H](C)[NH3+])N(C)C 629613416 347352518 /nfs/dbraw/zinc/35/25/18/347352518.db2.gz OLHVCQANMAJRJE-HTQZYQBOSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@@H](C(=O)N[C@H](C)C[NH3+])N(C)C 629612156 347352524 /nfs/dbraw/zinc/35/25/24/347352524.db2.gz VLOZJLAYJTXIEF-SFYZADRCSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@H](C(=O)NCC[NH3+])N(C)C 629610694 347352555 /nfs/dbraw/zinc/35/25/55/347352555.db2.gz FAAOWINWNQACFQ-SSDOTTSWSA-N 1 3 173.260 -0.599 20 0 ABADHO CC[C@H](C(=O)N(C)CC[NH3+])N(C)C 629614171 347352571 /nfs/dbraw/zinc/35/25/71/347352571.db2.gz DJFNGQUFLROJDH-MRVPVSSYSA-N 1 3 187.287 -0.256 20 0 ABADHO CC[C@@H](C(=O)N1CC[C@H]([NH3+])C1)N(C)C 629611683 347352606 /nfs/dbraw/zinc/35/26/06/347352606.db2.gz ANBNYWFUUHHYNS-IUCAKERBSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[C@@H](C(=O)NCC[NH3+])N(C)C 629610698 347352618 /nfs/dbraw/zinc/35/26/18/347352618.db2.gz FAAOWINWNQACFQ-ZETCQYMHSA-N 1 3 173.260 -0.599 20 0 ABADHO CC[C@H](C(=O)NCC1C[NH2+]C1)N(C)C 629612145 347352633 /nfs/dbraw/zinc/35/26/33/347352633.db2.gz VAUAVSSUDLVWHD-SECBINFHSA-N 1 3 199.298 -0.338 20 0 ABADHO CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)N(C)C 629610995 347352648 /nfs/dbraw/zinc/35/26/48/347352648.db2.gz LCPGEEZJCRRUKR-BDAKNGLRSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N(C)C 629610368 347352657 /nfs/dbraw/zinc/35/26/57/347352657.db2.gz ANBNYWFUUHHYNS-RKDXNWHRSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N(C)C 629610367 347352666 /nfs/dbraw/zinc/35/26/66/347352666.db2.gz ANBNYWFUUHHYNS-BDAKNGLRSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[C@@H](C(=O)N[C@H]1CC[NH2+]C1)N(C)C 629610998 347352670 /nfs/dbraw/zinc/35/26/70/347352670.db2.gz LCPGEEZJCRRUKR-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@@H](C(=O)NC[C@H](C)[NH3+])N(C)C 629613426 347352685 /nfs/dbraw/zinc/35/26/85/347352685.db2.gz OLHVCQANMAJRJE-YUMQZZPRSA-N 1 3 187.287 -0.210 20 0 ABADHO NCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 634765091 347426980 /nfs/dbraw/zinc/42/69/80/347426980.db2.gz JWKIHFUBCQKPKM-APPZFPTMSA-N 1 3 183.255 -0.797 20 0 ABADHO C[C@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 634765184 347427125 /nfs/dbraw/zinc/42/71/25/347427125.db2.gz LPECOYUBWIEALI-XKSSXDPKSA-N 1 3 197.282 -0.408 20 0 ABADHO CNCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 634764912 347427134 /nfs/dbraw/zinc/42/71/34/347427134.db2.gz GKPLASUAXGDZKY-SCZZXKLOSA-N 1 3 197.282 -0.536 20 0 ABADHO C[C@@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 634765183 347427511 /nfs/dbraw/zinc/42/75/11/347427511.db2.gz LPECOYUBWIEALI-MRTMQBJTSA-N 1 3 197.282 -0.408 20 0 ABADHO CCN[C@@H](C)C(=O)NC1CC[NH2+]CC1 637797102 347462323 /nfs/dbraw/zinc/46/23/23/347462323.db2.gz JOUFKEWIZCSGRE-QMMMGPOBSA-N 1 3 199.298 -0.147 20 0 ABADHO CCN[C@H](C)C(=O)NC1CC[NH2+]CC1 637797101 347462392 /nfs/dbraw/zinc/46/23/92/347462392.db2.gz JOUFKEWIZCSGRE-MRVPVSSYSA-N 1 3 199.298 -0.147 20 0 ABADHO CC(C)CC[C@@H](N)C(=O)NCC[NH3+] 637797936 347462644 /nfs/dbraw/zinc/46/26/44/347462644.db2.gz SPBJYTGUGLMDAK-MRVPVSSYSA-N 1 3 187.287 -0.175 20 0 ABADHO CC[NH2+][C@H](C)C(=O)N1CCCNCC1 637803396 347462739 /nfs/dbraw/zinc/46/27/39/347462739.db2.gz GYJQIEBVOXPXMK-SECBINFHSA-N 1 3 199.298 -0.194 20 0 ABADHO CC(C)CC[C@H](N)C(=O)NCC[NH3+] 637797941 347462758 /nfs/dbraw/zinc/46/27/58/347462758.db2.gz SPBJYTGUGLMDAK-QMMMGPOBSA-N 1 3 187.287 -0.175 20 0 ABADHO CC[NH2+][C@@H](C)C(=O)N1CCCNCC1 637803398 347462847 /nfs/dbraw/zinc/46/28/47/347462847.db2.gz GYJQIEBVOXPXMK-VIFPVBQESA-N 1 3 199.298 -0.194 20 0 ABADHO CCN[C@H](C)C(=O)NCCC[NH2+]C 637807019 347463551 /nfs/dbraw/zinc/46/35/51/347463551.db2.gz YLFBUKYHZCYPBN-MRVPVSSYSA-N 1 3 187.287 -0.290 20 0 ABADHO CCN[C@@H](C)C(=O)NCCC[NH2+]C 637807020 347463570 /nfs/dbraw/zinc/46/35/70/347463570.db2.gz YLFBUKYHZCYPBN-QMMMGPOBSA-N 1 3 187.287 -0.290 20 0 ABADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+]C1 637811812 347463640 /nfs/dbraw/zinc/46/36/40/347463640.db2.gz OJIGSGQDHAPOJU-HTQZYQBOSA-N 1 3 185.271 -0.538 20 0 ABADHO CCN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 637811815 347463645 /nfs/dbraw/zinc/46/36/45/347463645.db2.gz OJIGSGQDHAPOJU-YUMQZZPRSA-N 1 3 185.271 -0.538 20 0 ABADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+]C1 637811814 347463868 /nfs/dbraw/zinc/46/38/68/347463868.db2.gz OJIGSGQDHAPOJU-SFYZADRCSA-N 1 3 185.271 -0.538 20 0 ABADHO CCN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1 637811813 347463927 /nfs/dbraw/zinc/46/39/27/347463927.db2.gz OJIGSGQDHAPOJU-JGVFFNPUSA-N 1 3 185.271 -0.538 20 0 ABADHO CCN[C@H](C)C(=O)NC[C@H]1CCC[NH2+]1 637828319 347464284 /nfs/dbraw/zinc/46/42/84/347464284.db2.gz YLUCMEWYZMVIJO-RKDXNWHRSA-N 1 3 199.298 -0.147 20 0 ABADHO CCN[C@@H](C)C(=O)NCC[C@H](C)[NH3+] 637825528 347464328 /nfs/dbraw/zinc/46/43/28/347464328.db2.gz WZHTZBSHEZKVQD-YUMQZZPRSA-N 1 3 187.287 -0.162 20 0 ABADHO CCN[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 637828318 347464349 /nfs/dbraw/zinc/46/43/49/347464349.db2.gz YLUCMEWYZMVIJO-IUCAKERBSA-N 1 3 199.298 -0.147 20 0 ABADHO CCN[C@H](C)C(=O)NCC[C@H](C)[NH3+] 637825525 347464369 /nfs/dbraw/zinc/46/43/69/347464369.db2.gz WZHTZBSHEZKVQD-JGVFFNPUSA-N 1 3 187.287 -0.162 20 0 ABADHO CCN[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 637828311 347464410 /nfs/dbraw/zinc/46/44/10/347464410.db2.gz YLUCMEWYZMVIJO-BDAKNGLRSA-N 1 3 199.298 -0.147 20 0 ABADHO CCN[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]1 637828312 347464465 /nfs/dbraw/zinc/46/44/65/347464465.db2.gz YLUCMEWYZMVIJO-DTWKUNHWSA-N 1 3 199.298 -0.147 20 0 ABADHO CCN[C@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 637836395 347465074 /nfs/dbraw/zinc/46/50/74/347465074.db2.gz OTXKWHYLJFKTGX-BDAKNGLRSA-N 1 3 199.298 -0.195 20 0 ABADHO CCN[C@@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 637836398 347465089 /nfs/dbraw/zinc/46/50/89/347465089.db2.gz OTXKWHYLJFKTGX-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CCN[C@@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 637836396 347465173 /nfs/dbraw/zinc/46/51/73/347465173.db2.gz OTXKWHYLJFKTGX-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO CCN[C@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 637836399 347465278 /nfs/dbraw/zinc/46/52/78/347465278.db2.gz OTXKWHYLJFKTGX-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO CCN[C@@H](C)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 638247013 347476676 /nfs/dbraw/zinc/47/66/76/347476676.db2.gz VQTZDYFDRZYYGR-RBXMUDONSA-N 1 3 197.282 -0.682 20 0 ABADHO CC[NH2+][C@H](C)C(=O)NCCN(C)C 638227012 347476754 /nfs/dbraw/zinc/47/67/54/347476754.db2.gz LVXLDTIRHJIWNU-MRVPVSSYSA-N 1 3 187.287 -0.338 20 0 ABADHO CC[NH2+][C@@H](C)C(=O)NCCN(C)C 638227013 347476843 /nfs/dbraw/zinc/47/68/43/347476843.db2.gz LVXLDTIRHJIWNU-QMMMGPOBSA-N 1 3 187.287 -0.338 20 0 ABADHO CCN[C@H](C)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 638247011 347476853 /nfs/dbraw/zinc/47/68/53/347476853.db2.gz VQTZDYFDRZYYGR-HXFLIBJXSA-N 1 3 197.282 -0.682 20 0 ABADHO CCN[C@@H](C)C(=O)N[C@@]1(C)CC[NH2+]C1 638435149 347481433 /nfs/dbraw/zinc/48/14/33/347481433.db2.gz BJJJCAZUZJDJJR-WPRPVWTQSA-N 1 3 199.298 -0.147 20 0 ABADHO CCN[C@H](C)C(=O)N[C@@]1(C)CC[NH2+]C1 638435145 347481714 /nfs/dbraw/zinc/48/17/14/347481714.db2.gz BJJJCAZUZJDJJR-SCZZXKLOSA-N 1 3 199.298 -0.147 20 0 ABADHO CCN[C@@H](C)C(=O)N[C@]1(C)CC[NH2+]C1 638435147 347481745 /nfs/dbraw/zinc/48/17/45/347481745.db2.gz BJJJCAZUZJDJJR-WCBMZHEXSA-N 1 3 199.298 -0.147 20 0 ABADHO CCN[C@H](C)C(=O)N[C@]1(C)CC[NH2+]C1 638435144 347481765 /nfs/dbraw/zinc/48/17/65/347481765.db2.gz BJJJCAZUZJDJJR-PSASIEDQSA-N 1 3 199.298 -0.147 20 0 ABADHO CC(C)[C@@H]1CNCCN1C(=O)C[NH3+] 638485173 347482716 /nfs/dbraw/zinc/48/27/16/347482716.db2.gz XOUGBBVEFARRDO-QMMMGPOBSA-N 1 3 185.271 -0.599 20 0 ABADHO CC(C)[C@H]1CNCCN1C(=O)[C@H](C)[NH3+] 638483020 347482741 /nfs/dbraw/zinc/48/27/41/347482741.db2.gz GZJKQEMPSRDSJP-DTWKUNHWSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H](C)[NH3+] 638483019 347482820 /nfs/dbraw/zinc/48/28/20/347482820.db2.gz GZJKQEMPSRDSJP-BDAKNGLRSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)[C@H]1CNCCN1C(=O)C[NH3+] 638485172 347483028 /nfs/dbraw/zinc/48/30/28/347483028.db2.gz XOUGBBVEFARRDO-MRVPVSSYSA-N 1 3 185.271 -0.599 20 0 ABADHO CC(C)[C@@H]1CNCCN1C(=O)[C@H](C)[NH3+] 638483023 347483094 /nfs/dbraw/zinc/48/30/94/347483094.db2.gz GZJKQEMPSRDSJP-IUCAKERBSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)[C@H]1CNCCN1C(=O)[C@@H](C)[NH3+] 638483028 347483131 /nfs/dbraw/zinc/48/31/31/347483131.db2.gz GZJKQEMPSRDSJP-RKDXNWHRSA-N 1 3 199.298 -0.210 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@H](N)C1CCC1 638516215 347484116 /nfs/dbraw/zinc/48/41/16/347484116.db2.gz OOCJFHVASAQVBE-SECBINFHSA-N 1 3 199.298 -0.079 20 0 ABADHO CCN(CC[NH3+])C(=O)CNC1CC1 638517259 347484179 /nfs/dbraw/zinc/48/41/79/347484179.db2.gz PVWCCILUMHKVPI-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO CC[C@@H](N)C(=O)N(CC)CC[NH3+] 638517151 347484192 /nfs/dbraw/zinc/48/41/92/347484192.db2.gz NKRMKNALVBGDPQ-SSDOTTSWSA-N 1 3 173.260 -0.469 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@@H](N)C1CCC1 638516216 347484319 /nfs/dbraw/zinc/48/43/19/347484319.db2.gz OOCJFHVASAQVBE-VIFPVBQESA-N 1 3 199.298 -0.079 20 0 ABADHO CCN(CC[NH3+])C(=O)C1(N)CCC1 638516536 347484359 /nfs/dbraw/zinc/48/43/59/347484359.db2.gz DIMVCTKPEBQCON-UHFFFAOYSA-N 1 3 185.271 -0.325 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@H](N)C(C)C 638517229 347484445 /nfs/dbraw/zinc/48/44/45/347484445.db2.gz OYCGUJMCOSUQKD-MRVPVSSYSA-N 1 3 187.287 -0.223 20 0 ABADHO CCN(CC[NH3+])C(=O)C1(N)CC1 638522527 347484736 /nfs/dbraw/zinc/48/47/36/347484736.db2.gz KIYLYJDGLDWFBL-UHFFFAOYSA-N 1 3 171.244 -0.715 20 0 ABADHO CC[C@H](N)C(=O)N(CC)CC[NH3+] 638522679 347484841 /nfs/dbraw/zinc/48/48/41/347484841.db2.gz NKRMKNALVBGDPQ-ZETCQYMHSA-N 1 3 173.260 -0.469 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@@H](N)C(C)C 638522707 347484848 /nfs/dbraw/zinc/48/48/48/347484848.db2.gz OYCGUJMCOSUQKD-QMMMGPOBSA-N 1 3 187.287 -0.223 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@H]1CCCCN1 638522674 347484907 /nfs/dbraw/zinc/48/49/07/347484907.db2.gz NGSBBCBZCBADRK-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@@H]1CCCCN1 638522675 347484882 /nfs/dbraw/zinc/48/48/82/347484882.db2.gz NGSBBCBZCBADRK-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@@H](C)N 638522999 347484943 /nfs/dbraw/zinc/48/49/43/347484943.db2.gz YSVXKVQHBVWHIZ-ZCFIWIBFSA-N 1 3 159.233 -0.859 20 0 ABADHO CCN(CC[NH3+])C(=O)CNC 638522721 347484955 /nfs/dbraw/zinc/48/49/55/347484955.db2.gz PKLXQJWFDVCXNZ-UHFFFAOYSA-N 1 3 159.233 -0.987 20 0 ABADHO CCN(CC[NH3+])C(=O)[C@H](C)N 638522998 347485006 /nfs/dbraw/zinc/48/50/06/347485006.db2.gz YSVXKVQHBVWHIZ-LURJTMIESA-N 1 3 159.233 -0.859 20 0 ABADHO CCN(CC[NH3+])C(=O)C(C)(C)N 638522298 347485058 /nfs/dbraw/zinc/48/50/58/347485058.db2.gz DMZJMFGLTFKWJO-UHFFFAOYSA-N 1 3 173.260 -0.469 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1 638792862 347492129 /nfs/dbraw/zinc/49/21/29/347492129.db2.gz QPDCMGOIKIVMEQ-NKWVEPMBSA-N 1 3 171.244 -0.928 20 0 ABADHO NC1(C(=O)N[C@@H]2CC[NH2+]C2)CCC1 638802334 347492475 /nfs/dbraw/zinc/49/24/75/347492475.db2.gz UDPABUYULDGEQH-SSDOTTSWSA-N 1 3 183.255 -0.654 20 0 ABADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+]C1 638792440 347492487 /nfs/dbraw/zinc/49/24/87/347492487.db2.gz LDJOCSOJIFLBNW-MRVPVSSYSA-N 1 3 185.271 -0.538 20 0 ABADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638911030 347495552 /nfs/dbraw/zinc/49/55/52/347495552.db2.gz YGLVERBMMKCHPK-CIUDSAMLSA-N 1 3 197.282 -0.458 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638910042 347495622 /nfs/dbraw/zinc/49/56/22/347495622.db2.gz MCWFYOWUIXBMMX-FXQIFTODSA-N 1 3 183.255 -0.704 20 0 ABADHO CC(C)(N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638911097 347495758 /nfs/dbraw/zinc/49/57/58/347495758.db2.gz YNLYGRYFEYHTFU-BQBZGAKWSA-N 1 3 183.255 -0.704 20 0 ABADHO NC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 638909721 347495936 /nfs/dbraw/zinc/49/59/36/347495936.db2.gz JIKXHNQEXUAKHM-BQBZGAKWSA-N 1 3 181.239 -0.950 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638914115 347496056 /nfs/dbraw/zinc/49/60/56/347496056.db2.gz MCWFYOWUIXBMMX-BIIVOSGPSA-N 1 3 183.255 -0.704 20 0 ABADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638911031 347496067 /nfs/dbraw/zinc/49/60/67/347496067.db2.gz YGLVERBMMKCHPK-XHNCKOQMSA-N 1 3 197.282 -0.458 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 638917795 347496382 /nfs/dbraw/zinc/49/63/82/347496382.db2.gz ISBHXHXDLHMQPP-YIZRAAEISA-N 1 3 197.282 -0.314 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638916980 347496394 /nfs/dbraw/zinc/49/63/94/347496394.db2.gz IWJJBSGXPWPPLU-FXQIFTODSA-N 1 3 183.255 -0.833 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 638917527 347496403 /nfs/dbraw/zinc/49/64/03/347496403.db2.gz GKYZVKAMFKEACP-BIIVOSGPSA-N 1 3 183.255 -0.704 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 638925143 347496516 /nfs/dbraw/zinc/49/65/16/347496516.db2.gz ISBHXHXDLHMQPP-HRDYMLBCSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 638917528 347496528 /nfs/dbraw/zinc/49/65/28/347496528.db2.gz GKYZVKAMFKEACP-PRJMDXOYSA-N 1 3 183.255 -0.704 20 0 ABADHO CNCC(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 638918685 347496581 /nfs/dbraw/zinc/49/65/81/347496581.db2.gz DHHPZRUIGMSCIY-OCAPTIKFSA-N 1 3 183.255 -0.831 20 0 ABADHO NC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1 638915453 347496590 /nfs/dbraw/zinc/49/65/90/347496590.db2.gz MPZOHLHHNCPVHZ-YUMQZZPRSA-N 1 3 195.266 -0.560 20 0 ABADHO CC(C)(N)C(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 638918260 347496671 /nfs/dbraw/zinc/49/66/71/347496671.db2.gz OCHQTJMACUCPEK-OCAPTIKFSA-N 1 3 197.282 -0.314 20 0 ABADHO O=C(CNC1CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 638915366 347496677 /nfs/dbraw/zinc/49/66/77/347496677.db2.gz LBRBFNWMJNTYFG-IUCAKERBSA-N 1 3 195.266 -0.689 20 0 ABADHO NC1(C(=O)N2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 638917526 347496688 /nfs/dbraw/zinc/49/66/88/347496688.db2.gz GKEIDRIVWHPFGK-OCAPTIKFSA-N 1 3 195.266 -0.560 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@@H]([NH3+])C[C@H]1C 638931306 347497467 /nfs/dbraw/zinc/49/74/67/347497467.db2.gz OBYCXHQSCPSZBR-CSMHCCOUSA-N 1 3 185.271 -0.458 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@H]([NH3+])C[C@@H]1C 638931144 347497136 /nfs/dbraw/zinc/49/71/36/347497136.db2.gz OBYCXHQSCPSZBR-BIIVOSGPSA-N 1 3 185.271 -0.458 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@@H]([NH3+])C[C@H]1C 638936415 347497282 /nfs/dbraw/zinc/49/72/82/347497282.db2.gz QSMVJEOITHVYBP-GJMOJQLCSA-N 1 3 185.271 -0.328 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638936413 347497318 /nfs/dbraw/zinc/49/73/18/347497318.db2.gz QSMVJEOITHVYBP-BIIVOSGPSA-N 1 3 185.271 -0.328 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@H]([NH3+])C[C@H]1C 638936414 347497376 /nfs/dbraw/zinc/49/73/76/347497376.db2.gz QSMVJEOITHVYBP-BWZBUEFSSA-N 1 3 185.271 -0.328 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638931307 347497445 /nfs/dbraw/zinc/49/74/45/347497445.db2.gz OBYCXHQSCPSZBR-FXQIFTODSA-N 1 3 185.271 -0.458 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@H]([NH3+])C[C@@H]1C 638936416 347497507 /nfs/dbraw/zinc/49/75/07/347497507.db2.gz QSMVJEOITHVYBP-XLPZGREQSA-N 1 3 185.271 -0.328 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@H]([NH3+])C[C@H]1C 638931308 347497531 /nfs/dbraw/zinc/49/75/31/347497531.db2.gz OBYCXHQSCPSZBR-GJMOJQLCSA-N 1 3 185.271 -0.458 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638946896 347498191 /nfs/dbraw/zinc/49/81/91/347498191.db2.gz QSMVJEOITHVYBP-FXQIFTODSA-N 1 3 185.271 -0.328 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638946855 347497924 /nfs/dbraw/zinc/49/79/24/347497924.db2.gz QCIPXGBWOCSXMP-ACZMJKKPSA-N 1 3 171.244 -0.718 20 0 ABADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CNC1CC1 638938535 347497776 /nfs/dbraw/zinc/49/77/76/347497776.db2.gz YDGQPFHKSLAZPF-HTQZYQBOSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@H]([NH3+])C[C@H]1C 638946857 347497785 /nfs/dbraw/zinc/49/77/85/347497785.db2.gz QCIPXGBWOCSXMP-FSDSQADBSA-N 1 3 171.244 -0.718 20 0 ABADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](C)N 638946862 347497792 /nfs/dbraw/zinc/49/77/92/347497792.db2.gz QCIPXGBWOCSXMP-XVMARJQXSA-N 1 3 171.244 -0.718 20 0 ABADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)CNC1CC1 638938546 347497801 /nfs/dbraw/zinc/49/78/01/347497801.db2.gz YDGQPFHKSLAZPF-YUMQZZPRSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CNC1CC1 638938544 347497823 /nfs/dbraw/zinc/49/78/23/347497823.db2.gz YDGQPFHKSLAZPF-SFYZADRCSA-N 1 3 197.282 -0.314 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@H]1C 638946895 347497849 /nfs/dbraw/zinc/49/78/49/347497849.db2.gz QSMVJEOITHVYBP-CSMHCCOUSA-N 1 3 185.271 -0.328 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@H]1C 638946861 347497860 /nfs/dbraw/zinc/49/78/60/347497860.db2.gz QCIPXGBWOCSXMP-VQVTYTSYSA-N 1 3 171.244 -0.718 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 638943410 347497872 /nfs/dbraw/zinc/49/78/72/347497872.db2.gz SROMUPBYGIHWGV-CIUDSAMLSA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C 638945362 347497903 /nfs/dbraw/zinc/49/79/03/347497903.db2.gz FHJUYWLJUQGTLK-BQBZGAKWSA-N 1 3 171.244 -0.846 20 0 ABADHO CNCC(=O)N1C[C@H]([NH3+])C[C@H]1C 638945364 347497910 /nfs/dbraw/zinc/49/79/10/347497910.db2.gz FHJUYWLJUQGTLK-RNFRBKRXSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H](N)C(=O)N1C[C@H]([NH3+])C[C@@H]1C 638946858 347497934 /nfs/dbraw/zinc/49/79/34/347497934.db2.gz QCIPXGBWOCSXMP-LYFYHCNISA-N 1 3 171.244 -0.718 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@@H]([NH3+])C[C@H]1C 638946859 347497943 /nfs/dbraw/zinc/49/79/43/347497943.db2.gz QCIPXGBWOCSXMP-QYNIQEEDSA-N 1 3 171.244 -0.718 20 0 ABADHO C[C@H](N)C(=O)N1C[C@H]([NH3+])C[C@H]1C 638946856 347498028 /nfs/dbraw/zinc/49/80/28/347498028.db2.gz QCIPXGBWOCSXMP-DSYKOEDSSA-N 1 3 171.244 -0.718 20 0 ABADHO CNCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 638942773 347498045 /nfs/dbraw/zinc/49/80/45/347498045.db2.gz KDUIVEJHYKEEOU-KYZUINATSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@H]([NH3+])C[C@@H]1C 638946898 347498092 /nfs/dbraw/zinc/49/80/92/347498092.db2.gz QSMVJEOITHVYBP-RNJXMRFFSA-N 1 3 185.271 -0.328 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@H]([NH3+])C[C@H]1C 638946897 347498108 /nfs/dbraw/zinc/49/81/08/347498108.db2.gz QSMVJEOITHVYBP-PRJMDXOYSA-N 1 3 185.271 -0.328 20 0 ABADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H](C)N 638946860 347498138 /nfs/dbraw/zinc/49/81/38/347498138.db2.gz QCIPXGBWOCSXMP-RRKCRQDMSA-N 1 3 171.244 -0.718 20 0 ABADHO NCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 638943862 347498150 /nfs/dbraw/zinc/49/81/50/347498150.db2.gz XOLNBBWZNNMBDJ-ZKCHVHJHSA-N 1 3 185.271 -0.421 20 0 ABADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CNC1CC1 638938538 347498154 /nfs/dbraw/zinc/49/81/54/347498154.db2.gz YDGQPFHKSLAZPF-JGVFFNPUSA-N 1 3 197.282 -0.314 20 0 ABADHO CNCC(=O)N1C[C@H]([NH3+])C[C@@H]1C 638945363 347498169 /nfs/dbraw/zinc/49/81/69/347498169.db2.gz FHJUYWLJUQGTLK-NKWVEPMBSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 638943411 347498184 /nfs/dbraw/zinc/49/81/84/347498184.db2.gz SROMUPBYGIHWGV-IWSPIJDZSA-N 1 3 199.298 -0.033 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 639029541 347499528 /nfs/dbraw/zinc/49/95/28/347499528.db2.gz HFPUKKSDBYGHCB-CIUDSAMLSA-N 1 3 199.298 -0.020 20 0 ABADHO N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 61711393 351583565 /nfs/dbraw/zinc/58/35/65/351583565.db2.gz RZBGJUJJPGPALM-YIZRAAEISA-N 1 3 170.256 -0.067 20 0 ABADHO N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 61711393 351583569 /nfs/dbraw/zinc/58/35/69/351583569.db2.gz RZBGJUJJPGPALM-YIZRAAEISA-N 1 3 170.256 -0.067 20 0 ABADHO NC[C@@]12C[NH2+]C[C@@H]1C2 231485512 351812347 /nfs/dbraw/zinc/81/23/47/351812347.db2.gz MXNMMCMHFJOWBY-WDSKDSINSA-N 1 3 112.176 -0.445 20 0 ABADHO C1=NC2=NCCN2C2=C1C[NH2+]CC2 232456571 351814717 /nfs/dbraw/zinc/81/47/17/351814717.db2.gz SZROLHCUFCDNBL-UHFFFAOYSA-N 1 3 176.223 -0.010 20 0 ABADHO C[C@@H]1C[N@H+](CCC(=O)N(C)C)C[C@H]1N 300049030 351895128 /nfs/dbraw/zinc/89/51/28/351895128.db2.gz ORTIBFBFSWIDQI-RKDXNWHRSA-N 1 3 199.298 -0.256 20 0 ABADHO C[C@@H]1C[N@@H+](CCC(=O)N(C)C)C[C@H]1N 300049030 351895129 /nfs/dbraw/zinc/89/51/29/351895129.db2.gz ORTIBFBFSWIDQI-RKDXNWHRSA-N 1 3 199.298 -0.256 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 306157073 351902505 /nfs/dbraw/zinc/90/25/05/351902505.db2.gz CTOVLAIAMOLSSY-GJMOJQLCSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 306157074 351902791 /nfs/dbraw/zinc/90/27/91/351902791.db2.gz CTOVLAIAMOLSSY-PRJMDXOYSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 306157071 351902849 /nfs/dbraw/zinc/90/28/49/351902849.db2.gz CTOVLAIAMOLSSY-BWZBUEFSSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 306157072 351902878 /nfs/dbraw/zinc/90/28/78/351902878.db2.gz CTOVLAIAMOLSSY-CSMHCCOUSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@@H]1NCCN(C(=O)C[NH3+])[C@@H]1C 306218841 351908468 /nfs/dbraw/zinc/90/84/68/351908468.db2.gz SHIQYCHLPNKNBN-NKWVEPMBSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@@H]1NCCN(C(=O)C[NH3+])[C@H]1C 306218840 351908562 /nfs/dbraw/zinc/90/85/62/351908562.db2.gz SHIQYCHLPNKNBN-BQBZGAKWSA-N 1 3 171.244 -0.846 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1 306235617 351911413 /nfs/dbraw/zinc/91/14/13/351911413.db2.gz GRGBVELWIRDHGJ-RNFRBKRXSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H]1CN(C(=O)C(C)(C)[NH3+])C[C@@H](C)N1 306238775 351911703 /nfs/dbraw/zinc/91/17/03/351911703.db2.gz QBWHYUDLQGKOFQ-HTQZYQBOSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1CCN[C@@H](C)[C@@H]1C 306274956 351914302 /nfs/dbraw/zinc/91/43/02/351914302.db2.gz CMAMTCFWKILMJO-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1CCN[C@@H](C)[C@H]1C 306274960 351914351 /nfs/dbraw/zinc/91/43/51/351914351.db2.gz CMAMTCFWKILMJO-XHNCKOQMSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1CCN[C@H](C)[C@H]1C 306274958 351914371 /nfs/dbraw/zinc/91/43/71/351914371.db2.gz CMAMTCFWKILMJO-DJLDLDEBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1CCN[C@H](C)[C@@H]1C 306274961 351914390 /nfs/dbraw/zinc/91/43/90/351914390.db2.gz CMAMTCFWKILMJO-YIZRAAEISA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 306315246 351919529 /nfs/dbraw/zinc/91/95/29/351919529.db2.gz GRGBVELWIRDHGJ-RQJHMYQMSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H]1CN(C(=O)CC[NH3+])C[C@@H](C)N1 306357160 351922799 /nfs/dbraw/zinc/92/27/99/351922799.db2.gz UUDMJMSXQGCKMN-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CN 306883198 351971017 /nfs/dbraw/zinc/97/10/17/351971017.db2.gz ONQZMMXROYYCDA-BQBZGAKWSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CN 306883199 351971080 /nfs/dbraw/zinc/97/10/80/351971080.db2.gz ONQZMMXROYYCDA-NKWVEPMBSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H](C)N 307212971 351995248 /nfs/dbraw/zinc/99/52/48/351995248.db2.gz WLJOWLBEAKJWKR-RNJXMRFFSA-N 1 3 185.271 -0.328 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]([NH3+])C[C@H]1C 307212969 351995395 /nfs/dbraw/zinc/99/53/95/351995395.db2.gz WLJOWLBEAKJWKR-PRJMDXOYSA-N 1 3 185.271 -0.328 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C 307212967 351995411 /nfs/dbraw/zinc/99/54/11/351995411.db2.gz WLJOWLBEAKJWKR-BWZBUEFSSA-N 1 3 185.271 -0.328 20 0 ABADHO C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H](C)N 307212973 351995502 /nfs/dbraw/zinc/99/55/02/351995502.db2.gz WLJOWLBEAKJWKR-XLPZGREQSA-N 1 3 185.271 -0.328 20 0 ABADHO CC(C)(N)C[N@@H+]1CCC[C@@H](C(N)=O)C1 307251055 351998353 /nfs/dbraw/zinc/99/83/53/351998353.db2.gz QBXDOMZYKGOGPX-MRVPVSSYSA-N 1 3 199.298 -0.079 20 0 ABADHO CC(C)([NH3+])CNC(=O)[C@H]1CCCCN1 307244677 351997789 /nfs/dbraw/zinc/99/77/89/351997789.db2.gz LMMHEJZSMOVTAP-MRVPVSSYSA-N 1 3 199.298 -0.018 20 0 ABADHO CC(C)(N)C[N@@H+]1CCC[C@H](C(N)=O)C1 307251056 351998311 /nfs/dbraw/zinc/99/83/11/351998311.db2.gz QBXDOMZYKGOGPX-QMMMGPOBSA-N 1 3 199.298 -0.079 20 0 ABADHO CC(C)(N)C[N@H+]1CCC[C@H](C(N)=O)C1 307251056 351998314 /nfs/dbraw/zinc/99/83/14/351998314.db2.gz QBXDOMZYKGOGPX-QMMMGPOBSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@@H]1CN(CC[NH3+])[C@H](C)CN1C 307248985 351998344 /nfs/dbraw/zinc/99/83/44/351998344.db2.gz IQIXVNYIXLJSCX-RKDXNWHRSA-N 1 3 171.288 -0.031 20 0 ABADHO CC(C)(N)C[N@H+]1CCC[C@@H](C(N)=O)C1 307251055 351998355 /nfs/dbraw/zinc/99/83/55/351998355.db2.gz QBXDOMZYKGOGPX-MRVPVSSYSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@@H]1CN(C(=O)C[NH3+])[C@H](C)CN1 307284476 352001193 /nfs/dbraw/zinc/00/11/93/352001193.db2.gz NIQWGVRSJZPWMF-RNFRBKRXSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CC1 307340312 352004919 /nfs/dbraw/zinc/00/49/19/352004919.db2.gz UJCWEOXCULUJAK-JGVFFNPUSA-N 1 3 197.282 -0.408 20 0 ABADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CC1 307340314 352004945 /nfs/dbraw/zinc/00/49/45/352004945.db2.gz UJCWEOXCULUJAK-YUMQZZPRSA-N 1 3 197.282 -0.408 20 0 ABADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CC1 307340311 352004956 /nfs/dbraw/zinc/00/49/56/352004956.db2.gz UJCWEOXCULUJAK-HTQZYQBOSA-N 1 3 197.282 -0.408 20 0 ABADHO CC1(C)CN[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 307375274 352008277 /nfs/dbraw/zinc/00/82/77/352008277.db2.gz YZQRAEYOCCGBSU-SFYZADRCSA-N 1 3 197.282 -0.538 20 0 ABADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 307375271 352008374 /nfs/dbraw/zinc/00/83/74/352008374.db2.gz YZQRAEYOCCGBSU-HTQZYQBOSA-N 1 3 197.282 -0.538 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1CCNCC1(C)C 307399373 352009810 /nfs/dbraw/zinc/00/98/10/352009810.db2.gz WINOKQGAZKPMIL-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1C[C@@H](C)NC[C@H]1C 307481438 352015916 /nfs/dbraw/zinc/01/59/16/352015916.db2.gz LFRPZLPBGDCWDS-DJLDLDEBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1C[C@H](C)NC[C@H]1C 307481439 352015966 /nfs/dbraw/zinc/01/59/66/352015966.db2.gz LFRPZLPBGDCWDS-XHNCKOQMSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1C[C@H](C)NC[C@@H]1C 307481437 352015987 /nfs/dbraw/zinc/01/59/87/352015987.db2.gz LFRPZLPBGDCWDS-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1C[C@@H](C)NC[C@@H]1C 307481440 352016048 /nfs/dbraw/zinc/01/60/48/352016048.db2.gz LFRPZLPBGDCWDS-YIZRAAEISA-N 1 3 199.298 -0.068 20 0 ABADHO CC(C)(N)C[N@@H+]1CC[C@@H](C(N)=O)C1 307517901 352018818 /nfs/dbraw/zinc/01/88/18/352018818.db2.gz JXXGVDQRIFSANL-SSDOTTSWSA-N 1 3 185.271 -0.469 20 0 ABADHO CC(C)(N)C[N@H+]1CC[C@@H](C(N)=O)C1 307517901 352018823 /nfs/dbraw/zinc/01/88/23/352018823.db2.gz JXXGVDQRIFSANL-SSDOTTSWSA-N 1 3 185.271 -0.469 20 0 ABADHO CC(C)(N)C[N@@H+]1CC[C@H](C(N)=O)C1 307517903 352018920 /nfs/dbraw/zinc/01/89/20/352018920.db2.gz JXXGVDQRIFSANL-ZETCQYMHSA-N 1 3 185.271 -0.469 20 0 ABADHO CC(C)(N)C[N@H+]1CC[C@H](C(N)=O)C1 307517903 352018924 /nfs/dbraw/zinc/01/89/24/352018924.db2.gz JXXGVDQRIFSANL-ZETCQYMHSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H]1CN(C(=O)[C@H](C)[NH3+])[C@H](C)CN1 307522500 352019876 /nfs/dbraw/zinc/01/98/76/352019876.db2.gz BYCSLNZGQNTBKI-RNJXMRFFSA-N 1 3 185.271 -0.458 20 0 ABADHO CC(C)(N)C(=O)N[C@@H]1CCC[NH2+]C1 307574156 352023351 /nfs/dbraw/zinc/02/33/51/352023351.db2.gz HBAXELAVJREKRK-SSDOTTSWSA-N 1 3 185.271 -0.408 20 0 ABADHO CC(C)(N)C(=O)NC[C@H]1CCC[NH2+]1 307665321 352030016 /nfs/dbraw/zinc/03/00/16/352030016.db2.gz AMJBENBTWGOCPZ-SSDOTTSWSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@@]1(CNC(=O)CN)CCC[NH2+]C1 307683551 352031957 /nfs/dbraw/zinc/03/19/57/352031957.db2.gz HIBIHYFJMKAFMZ-SECBINFHSA-N 1 3 185.271 -0.549 20 0 ABADHO CC(C)(N)C(=O)N[C@@H]1CC[NH2+]C1 307710844 352034763 /nfs/dbraw/zinc/03/47/63/352034763.db2.gz RHALMEHOGKCTHG-ZCFIWIBFSA-N 1 3 171.244 -0.798 20 0 ABADHO CC(C)(N)C(=O)N[C@H]1CC[NH2+]C1 307710843 352034819 /nfs/dbraw/zinc/03/48/19/352034819.db2.gz RHALMEHOGKCTHG-LURJTMIESA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H]1NCCN(C(=O)CC[NH3+])[C@@H]1C 307715766 352035286 /nfs/dbraw/zinc/03/52/86/352035286.db2.gz GNPHIUHYWRQTQU-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H]1NCCN(C(=O)CC[NH3+])[C@H]1C 307715768 352035509 /nfs/dbraw/zinc/03/55/09/352035509.db2.gz GNPHIUHYWRQTQU-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H]1CN(C(=O)C2([NH3+])CC2)C[C@@H](C)N1 307715017 352035548 /nfs/dbraw/zinc/03/55/48/352035548.db2.gz FFWNKEHMSHXJGJ-HTQZYQBOSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@@H]1CN(C(=O)CC[NH3+])[C@H](C)CN1 307748594 352037441 /nfs/dbraw/zinc/03/74/41/352037441.db2.gz CJBABSKZARWACT-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1C[C@@H](C)N[C@H](C)C1 307749105 352037960 /nfs/dbraw/zinc/03/79/60/352037960.db2.gz FIZLDBWBOLSAIT-DJLDLDEBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1C[C@H](C)N[C@H](C)C1 307749107 352037975 /nfs/dbraw/zinc/03/79/75/352037975.db2.gz FIZLDBWBOLSAIT-XHNCKOQMSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H]([NH3+])CC(=O)N1C[C@H](C)N[C@@H](C)C1 307749104 352038188 /nfs/dbraw/zinc/03/81/88/352038188.db2.gz FIZLDBWBOLSAIT-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 308983224 352053779 /nfs/dbraw/zinc/05/37/79/352053779.db2.gz IVUINNRWJUYRCW-HLTSFMKQSA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1 308922372 352053868 /nfs/dbraw/zinc/05/38/68/352053868.db2.gz CLDJTRKNVFWNOU-RKDXNWHRSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 308983232 352053975 /nfs/dbraw/zinc/05/39/75/352053975.db2.gz IVUINNRWJUYRCW-YIZRAAEISA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 308922365 352054038 /nfs/dbraw/zinc/05/40/38/352054038.db2.gz CLDJTRKNVFWNOU-BDAKNGLRSA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])C1 309009677 352054086 /nfs/dbraw/zinc/05/40/86/352054086.db2.gz RGLQSRCIEUANDW-IUCAKERBSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H]1NCCN(C(=O)CCC[NH3+])[C@H]1C 309126491 352054783 /nfs/dbraw/zinc/05/47/83/352054783.db2.gz PWTCSGGDGBYEIC-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]1NCCN(C(=O)CCC[NH3+])[C@@H]1C 309126490 352054911 /nfs/dbraw/zinc/05/49/11/352054911.db2.gz PWTCSGGDGBYEIC-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]1CCN[C@H](C(=O)N(C)CC[NH3+])C1 334962951 352086233 /nfs/dbraw/zinc/08/62/33/352086233.db2.gz YUPZOWDPANFKBV-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H]1CCN[C@@H](C(=O)N(C)CC[NH3+])C1 334962955 352086636 /nfs/dbraw/zinc/08/66/36/352086636.db2.gz YUPZOWDPANFKBV-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H]1CN(C(=O)C(C)(C)N)C[C@H]1[NH3+] 335384940 352095954 /nfs/dbraw/zinc/09/59/54/352095954.db2.gz IONLQTAQBHIPDH-RNFRBKRXSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@@H]1CN(C(=O)C2(N)CCC2)C[C@@H]1[NH3+] 335379863 352095969 /nfs/dbraw/zinc/09/59/69/352095969.db2.gz JYEKLEVNCATXJH-SFYZADRCSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@@H]1CN(C(=O)C(C)(C)N)C[C@@H]1[NH3+] 335384941 352095974 /nfs/dbraw/zinc/09/59/74/352095974.db2.gz IONLQTAQBHIPDH-RQJHMYQMSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@@H]1CCN(C(=O)CN)C[C@@H]1C[NH3+] 335393318 352096707 /nfs/dbraw/zinc/09/67/07/352096707.db2.gz ACOOLUUXUKTGIU-SFYZADRCSA-N 1 3 185.271 -0.612 20 0 ABADHO C[C@@H]1CCN(C(=O)CN)C[C@H]1C[NH3+] 335393316 352096748 /nfs/dbraw/zinc/09/67/48/352096748.db2.gz ACOOLUUXUKTGIU-HTQZYQBOSA-N 1 3 185.271 -0.612 20 0 ABADHO C[C@@H]1CN(C(=O)CCC[NH3+])[C@H](C)CN1 335603689 352105968 /nfs/dbraw/zinc/10/59/68/352105968.db2.gz BOAUQHMLIMLZBU-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 335605964 352107038 /nfs/dbraw/zinc/10/70/38/352107038.db2.gz RGLQSRCIEUANDW-BDAKNGLRSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]1NC[C@@H](CC[NH3+])O1 536954316 352191890 /nfs/dbraw/zinc/19/18/90/352191890.db2.gz PNSANXOKAJVBRB-NTSWFWBYSA-N 1 3 130.191 -0.330 20 0 ABADHO C[C@@H]1NC[C@H](CC[NH3+])O1 536954326 352192097 /nfs/dbraw/zinc/19/20/97/352192097.db2.gz PNSANXOKAJVBRB-RITPCOANSA-N 1 3 130.191 -0.330 20 0 ABADHO C[C@@H]1C[C@H](N)C[N@@H+]1CCO 575461218 352246570 /nfs/dbraw/zinc/24/65/70/352246570.db2.gz NSHMOZIREURWMZ-RQJHMYQMSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@@H]1C[C@H](N)C[N@H+]1CCO 575461218 352246573 /nfs/dbraw/zinc/24/65/73/352246573.db2.gz NSHMOZIREURWMZ-RQJHMYQMSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@H]1C[C@@H](N)C[N@H+]1CCO 575461216 352246757 /nfs/dbraw/zinc/24/67/57/352246757.db2.gz NSHMOZIREURWMZ-NKWVEPMBSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@H]1C[C@@H](N)C[N@@H+]1CCO 575461216 352246754 /nfs/dbraw/zinc/24/67/54/352246754.db2.gz NSHMOZIREURWMZ-NKWVEPMBSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@@H]1C[C@@H](N)C[N@@H+]1CCO 575461217 352246792 /nfs/dbraw/zinc/24/67/92/352246792.db2.gz NSHMOZIREURWMZ-RNFRBKRXSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@@H]1C[C@@H](N)C[N@H+]1CCO 575461217 352246794 /nfs/dbraw/zinc/24/67/94/352246794.db2.gz NSHMOZIREURWMZ-RNFRBKRXSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@H]1C[C@H](N)C[N@@H+]1CCO 575461213 352246913 /nfs/dbraw/zinc/24/69/13/352246913.db2.gz NSHMOZIREURWMZ-BQBZGAKWSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@H]1C[C@H](N)C[N@H+]1CCO 575461213 352246915 /nfs/dbraw/zinc/24/69/15/352246915.db2.gz NSHMOZIREURWMZ-BQBZGAKWSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643533565 353000158 /nfs/dbraw/zinc/00/01/58/353000158.db2.gz QQHHNULXCODQLH-UVOCVTCTSA-N 1 3 195.310 -0.256 20 0 ABADHO C[C@@H]1CN(C)C[C@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643533564 353000413 /nfs/dbraw/zinc/00/04/13/353000413.db2.gz QQHHNULXCODQLH-NZFPMDFQSA-N 1 3 195.310 -0.256 20 0 ABADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)C(N)=O 643895031 353008576 /nfs/dbraw/zinc/00/85/76/353008576.db2.gz AMQGAMDYFVFHMO-BWZBUEFSSA-N 1 3 185.271 -0.280 20 0 ABADHO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O 643895118 353008822 /nfs/dbraw/zinc/00/88/22/353008822.db2.gz QEVQEIKAIDTTAC-IWSPIJDZSA-N 1 3 197.282 -0.266 20 0 ABADHO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O 643895117 353008852 /nfs/dbraw/zinc/00/88/52/353008852.db2.gz QEVQEIKAIDTTAC-HLTSFMKQSA-N 1 3 197.282 -0.266 20 0 ABADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)C(N)=O 643895032 353008861 /nfs/dbraw/zinc/00/88/61/353008861.db2.gz AMQGAMDYFVFHMO-XLPZGREQSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@H]1CN(C(=O)[C@H](C)N)[C@@H](C)CN1 307522498 371782167 /nfs/dbraw/zinc/78/21/67/371782167.db2.gz BYCSLNZGQNTBKI-FXQIFTODSA-N 1 3 185.271 -0.458 20 0 ABADHO C[C@H]1CN(C(=O)[C@H](C)[NH3+])[C@@H](C)CN1 307522498 371782171 /nfs/dbraw/zinc/78/21/71/371782171.db2.gz BYCSLNZGQNTBKI-FXQIFTODSA-N 1 3 185.271 -0.458 20 0 ABADHO CC(C)C[C@H](C[NH3+])NC(=O)C1(N)CC1 644088659 371875019 /nfs/dbraw/zinc/87/50/19/371875019.db2.gz LGAZZIOPWSPHFG-MRVPVSSYSA-N 1 3 199.298 -0.033 20 0 ABADHO CC(C)C[C@@H](C[NH3+])NC(=O)C1(N)CC1 644088660 371875158 /nfs/dbraw/zinc/87/51/58/371875158.db2.gz LGAZZIOPWSPHFG-QMMMGPOBSA-N 1 3 199.298 -0.033 20 0 ABADHO CC(C)(CC[NH3+])NC(=O)CNC1CC1 644164894 371876910 /nfs/dbraw/zinc/87/69/10/371876910.db2.gz DFZJBZNQOAMUGU-UHFFFAOYSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(N)=O)CC1 82475066 375363192 /nfs/dbraw/zinc/36/31/92/375363192.db2.gz SMJOVPBGLMCUJY-YUMQZZPRSA-N 1 3 199.298 -0.081 20 0 ABADHO CNCC(=O)N1CCC[C@@H]([NH+](C)C)C1 82276162 375353793 /nfs/dbraw/zinc/35/37/93/375353793.db2.gz LRXCOMYPYFRMHB-SECBINFHSA-N 1 3 199.298 -0.242 20 0 ABADHO CNCC(=O)N1CCC[C@H]([NH+](C)C)C1 82276161 375353970 /nfs/dbraw/zinc/35/39/70/375353970.db2.gz LRXCOMYPYFRMHB-VIFPVBQESA-N 1 3 199.298 -0.242 20 0 ABADHO CC(C)(O)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 82419266 375359015 /nfs/dbraw/zinc/35/90/15/375359015.db2.gz JPIIUBRYPVPFFF-DTORHVGOSA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(N)=O)CC1 82475069 375363095 /nfs/dbraw/zinc/36/30/95/375363095.db2.gz SMJOVPBGLMCUJY-HTQZYQBOSA-N 1 3 199.298 -0.081 20 0 ABADHO CNC(=O)CN1CCC([C@H](C)[NH3+])CC1 82474942 375363168 /nfs/dbraw/zinc/36/31/68/375363168.db2.gz KXNUNYLIHARCPU-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](C(N)=O)N1CCC([C@@H](C)[NH3+])CC1 82475067 375363473 /nfs/dbraw/zinc/36/34/73/375363473.db2.gz SMJOVPBGLMCUJY-SFYZADRCSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]([NH3+])C1CCN([C@H](C)C(N)=O)CC1 82475068 375363725 /nfs/dbraw/zinc/36/37/25/375363725.db2.gz SMJOVPBGLMCUJY-JGVFFNPUSA-N 1 3 199.298 -0.081 20 0 ABADHO C[NH+](C)[C@@H]1CCN(C(=O)C2(N)CC2)C1 83836036 375382786 /nfs/dbraw/zinc/38/27/86/375382786.db2.gz RYSFZVXXIGDDDN-MRVPVSSYSA-N 1 3 197.282 -0.360 20 0 ABADHO C[NH+](C)[C@H]1CCN(C(=O)C2(N)CC2)C1 83836038 375382982 /nfs/dbraw/zinc/38/29/82/375382982.db2.gz RYSFZVXXIGDDDN-QMMMGPOBSA-N 1 3 197.282 -0.360 20 0 ABADHO CNCC(=O)N1CCC[C@@H]([NH3+])C1 202076986 375408828 /nfs/dbraw/zinc/40/88/28/375408828.db2.gz NEVYCJAIKWFJAG-SSDOTTSWSA-N 1 3 171.244 -0.845 20 0 ABADHO CNCC(=O)N1CCC[C@H]([NH3+])C1 202077080 375408887 /nfs/dbraw/zinc/40/88/87/375408887.db2.gz NEVYCJAIKWFJAG-ZETCQYMHSA-N 1 3 171.244 -0.845 20 0 ABADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN 306292132 375443100 /nfs/dbraw/zinc/44/31/00/375443100.db2.gz UUGOYFRQWFLMCF-RNFRBKRXSA-N 1 3 171.244 -0.941 20 0 ABADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN 306292133 375443416 /nfs/dbraw/zinc/44/34/16/375443416.db2.gz UUGOYFRQWFLMCF-RQJHMYQMSA-N 1 3 171.244 -0.941 20 0 ABADHO CC(C)([NH3+])CNC(=O)[C@@H]1CCCCN1 306670104 375457066 /nfs/dbraw/zinc/45/70/66/375457066.db2.gz LMMHEJZSMOVTAP-QMMMGPOBSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(C)(C)N 307338037 375468184 /nfs/dbraw/zinc/46/81/84/375468184.db2.gz UKYTVSZVVIORCQ-YUMQZZPRSA-N 1 3 199.298 -0.020 20 0 ABADHO CN(C)C[C@H]1C[NH2+]C[C@@H]1CN(C)C 521399385 375540221 /nfs/dbraw/zinc/54/02/21/375540221.db2.gz LCPDRGOLBARZTM-NXEZZACHSA-N 1 3 185.315 -0.055 20 0 ABADHO CN(C)C[C@@H]1C[NH2+]C[C@H]1CN(C)C 521399386 375540468 /nfs/dbraw/zinc/54/04/68/375540468.db2.gz LCPDRGOLBARZTM-UWVGGRQHSA-N 1 3 185.315 -0.055 20 0 ABADHO CN(C)C[C@@H]1C[NH2+]C[C@@H]1CN(C)C 521399383 375540849 /nfs/dbraw/zinc/54/08/49/375540849.db2.gz LCPDRGOLBARZTM-AOOOYVTPSA-N 1 3 185.315 -0.055 20 0 ABADHO CN(C)CCNC(=O)CC1(C[NH3+])CC1 646348449 375588871 /nfs/dbraw/zinc/58/88/71/375588871.db2.gz KZARJAGJSIJIQG-UHFFFAOYSA-N 1 3 199.298 -0.207 20 0 ABADHO CN(CCN(C)C1CC1)C(=O)CC[NH3+] 646523249 375592649 /nfs/dbraw/zinc/59/26/49/375592649.db2.gz ZGAXNMXZCONLBT-UHFFFAOYSA-N 1 3 199.298 -0.112 20 0 ABADHO CN(C)CCN(C(=O)CC[NH3+])C1CC1 646542587 375592733 /nfs/dbraw/zinc/59/27/33/375592733.db2.gz JSWNJSCCHUTWPK-UHFFFAOYSA-N 1 3 199.298 -0.112 20 0 ABADHO C[NH2+]CC(=O)N(C)CCN(C)C1CC1 646523235 375593202 /nfs/dbraw/zinc/59/32/02/375593202.db2.gz SMRQFXHSBVRQBI-UHFFFAOYSA-N 1 3 199.298 -0.242 20 0 ABADHO C[NH2+]CC(=O)N(CCN(C)C)C1CC1 646542803 375593211 /nfs/dbraw/zinc/59/32/11/375593211.db2.gz XJVKPERPNANJHQ-UHFFFAOYSA-N 1 3 199.298 -0.242 20 0 ABADHO CCN1CCCC[C@@H]1C(=O)NCC[NH3+] 646570429 375594823 /nfs/dbraw/zinc/59/48/23/375594823.db2.gz FRVALPBYYSHXMO-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[NH2+]CCNC(=O)[C@@H](N)C1CCC1 646681930 375601134 /nfs/dbraw/zinc/60/11/34/375601134.db2.gz MFHFNVMAFLOCEE-VIFPVBQESA-N 1 3 199.298 -0.161 20 0 ABADHO CCN1CCCC[C@H]1C(=O)NCC[NH3+] 646570430 375595406 /nfs/dbraw/zinc/59/54/06/375595406.db2.gz FRVALPBYYSHXMO-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO C[NH2+][C@H]1CCN(C(=O)C2(N)CCC2)C1 646592839 375597584 /nfs/dbraw/zinc/59/75/84/375597584.db2.gz AEDXLPRNJUXTEY-QMMMGPOBSA-N 1 3 197.282 -0.312 20 0 ABADHO C[NH2+][C@@H]1CCN(C(=O)C2(N)CCC2)C1 646592837 375597652 /nfs/dbraw/zinc/59/76/52/375597652.db2.gz AEDXLPRNJUXTEY-MRVPVSSYSA-N 1 3 197.282 -0.312 20 0 ABADHO NC1(C(=O)N2CC[C@@H]([NH3+])C2)CCC1 646588312 375597659 /nfs/dbraw/zinc/59/76/59/375597659.db2.gz SYBDBYGKGRRBOT-SSDOTTSWSA-N 1 3 183.255 -0.573 20 0 ABADHO C[NH2+]CCCNC(=O)C1(N)CCC1 646619090 375598658 /nfs/dbraw/zinc/59/86/58/375598658.db2.gz JILUTAYKEGSAIO-UHFFFAOYSA-N 1 3 185.271 -0.407 20 0 ABADHO C[NH2+]CCCNC(=O)[C@@H](N)C1CCC1 646618982 375598922 /nfs/dbraw/zinc/59/89/22/375598922.db2.gz HQSHBQFXBHNQEU-VIFPVBQESA-N 1 3 199.298 -0.161 20 0 ABADHO NC1(C(=O)N[C@H]2CC[NH2+]C2)CCC1 646635065 375598981 /nfs/dbraw/zinc/59/89/81/375598981.db2.gz UDPABUYULDGEQH-ZETCQYMHSA-N 1 3 183.255 -0.654 20 0 ABADHO C[NH2+]CCCNC(=O)[C@H](N)C1CCC1 646618980 375599011 /nfs/dbraw/zinc/59/90/11/375599011.db2.gz HQSHBQFXBHNQEU-SECBINFHSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[NH2+]CCCNC(=O)C1(N)CCC1 646624200 375599177 /nfs/dbraw/zinc/59/91/77/375599177.db2.gz DHBPPSDOENBKBI-UHFFFAOYSA-N 1 3 199.298 -0.016 20 0 ABADHO C[NH2+]CCNC(=O)C1(N)CCC1 646679202 375599989 /nfs/dbraw/zinc/59/99/89/375599989.db2.gz DIIINBPFQFPSSE-UHFFFAOYSA-N 1 3 171.244 -0.797 20 0 ABADHO NC1(C(=O)N2CC[C@H]([NH3+])C2)CCC1 646668050 375600039 /nfs/dbraw/zinc/60/00/39/375600039.db2.gz SYBDBYGKGRRBOT-ZETCQYMHSA-N 1 3 183.255 -0.573 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H](N)C1CCC1 646679199 375600364 /nfs/dbraw/zinc/60/03/64/375600364.db2.gz BMWSTRVBMFCYLC-QMMMGPOBSA-N 1 3 185.271 -0.551 20 0 ABADHO C[NH2+]CCNC(=O)[C@H](N)C1CCC1 646679198 375600389 /nfs/dbraw/zinc/60/03/89/375600389.db2.gz BMWSTRVBMFCYLC-MRVPVSSYSA-N 1 3 185.271 -0.551 20 0 ABADHO CC[NH2+]CCNC(=O)[C@H](N)C1CCC1 646681929 375601030 /nfs/dbraw/zinc/60/10/30/375601030.db2.gz MFHFNVMAFLOCEE-SECBINFHSA-N 1 3 199.298 -0.161 20 0 ABADHO NC1(C(=O)NCC[NH2+]C2CC2)CCC1 646686034 375601250 /nfs/dbraw/zinc/60/12/50/375601250.db2.gz UZAXDRPREADBFN-UHFFFAOYSA-N 1 3 197.282 -0.264 20 0 ABADHO CC[NH2+]CCNC(=O)C1(N)CCC1 646681899 375601269 /nfs/dbraw/zinc/60/12/69/375601269.db2.gz CMNNYOZFMHTEDF-UHFFFAOYSA-N 1 3 185.271 -0.407 20 0 ABADHO CN(C(=O)C1(N)CCC1)[C@@H]1CC[NH2+]C1 646729193 375602179 /nfs/dbraw/zinc/60/21/79/375602179.db2.gz DEFPLPFQOOKHPR-MRVPVSSYSA-N 1 3 197.282 -0.312 20 0 ABADHO CN(C(=O)C1(N)CCC1)[C@H]1CC[NH2+]C1 646729194 375602236 /nfs/dbraw/zinc/60/22/36/375602236.db2.gz DEFPLPFQOOKHPR-QMMMGPOBSA-N 1 3 197.282 -0.312 20 0 ABADHO CN(CCC[NH3+])C(=O)[C@@H](N)C1CCC1 646781301 375603916 /nfs/dbraw/zinc/60/39/16/375603916.db2.gz KJGUOPXILHFEBY-VIFPVBQESA-N 1 3 199.298 -0.079 20 0 ABADHO CC(C)([NH3+])CNC(=O)[C@H](N)C1CCC1 646790054 375603927 /nfs/dbraw/zinc/60/39/27/375603927.db2.gz DUHINMOTDPSXPT-MRVPVSSYSA-N 1 3 199.298 -0.033 20 0 ABADHO CC(C)([NH3+])CNC(=O)[C@@H](N)C1CCC1 646790056 375604129 /nfs/dbraw/zinc/60/41/29/375604129.db2.gz DUHINMOTDPSXPT-QMMMGPOBSA-N 1 3 199.298 -0.033 20 0 ABADHO CC(C)[C@H]([NH3+])CNC(=O)C1(N)CCC1 646774163 375604204 /nfs/dbraw/zinc/60/42/04/375604204.db2.gz PVMOOZBXFUIYOR-MRVPVSSYSA-N 1 3 199.298 -0.033 20 0 ABADHO CN(CCC[NH3+])C(=O)[C@H](N)C1CCC1 646781300 375604350 /nfs/dbraw/zinc/60/43/50/375604350.db2.gz KJGUOPXILHFEBY-SECBINFHSA-N 1 3 199.298 -0.079 20 0 ABADHO CC(C)[C@@H]([NH3+])CNC(=O)C1(N)CCC1 646774164 375604413 /nfs/dbraw/zinc/60/44/13/375604413.db2.gz PVMOOZBXFUIYOR-QMMMGPOBSA-N 1 3 199.298 -0.033 20 0 ABADHO CN(CCC[NH3+])C(=O)C1(N)CCC1 646781455 375604459 /nfs/dbraw/zinc/60/44/59/375604459.db2.gz SOLPCEHIWYUSFY-UHFFFAOYSA-N 1 3 185.271 -0.325 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@@H](N)C1CCC1 647020597 375609192 /nfs/dbraw/zinc/60/91/92/375609192.db2.gz FYXRHFAJVAKZTP-XPUUQOCRSA-N 1 3 185.271 -0.423 20 0 ABADHO NC1(C(=O)NC[C@H]([NH3+])C2CC2)CCC1 646902368 375604946 /nfs/dbraw/zinc/60/49/46/375604946.db2.gz ALXAZLBEHJYEER-QMMMGPOBSA-N 1 3 197.282 -0.279 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@H](N)C1CCC1 646872301 375604975 /nfs/dbraw/zinc/60/49/75/375604975.db2.gz OEBQQZZTQDZKPJ-VXNVDRBHSA-N 1 3 199.298 -0.175 20 0 ABADHO CCC[NH2+]CCNC(=O)C1(N)CCC1 646882674 375605169 /nfs/dbraw/zinc/60/51/69/375605169.db2.gz LSSQUTYZHJUFNI-UHFFFAOYSA-N 1 3 199.298 -0.016 20 0 ABADHO NC1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC1 646902366 375605216 /nfs/dbraw/zinc/60/52/16/375605216.db2.gz ALXAZLBEHJYEER-MRVPVSSYSA-N 1 3 197.282 -0.279 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)C1(N)CCC1 646872278 375605465 /nfs/dbraw/zinc/60/54/65/375605465.db2.gz IFCJKDYHZCPNOH-SSDOTTSWSA-N 1 3 185.271 -0.421 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@@H](N)C1CCC1 646872299 375605586 /nfs/dbraw/zinc/60/55/86/375605586.db2.gz OEBQQZZTQDZKPJ-CBAPKCEASA-N 1 3 199.298 -0.175 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)C1(N)CCC1 646872279 375605626 /nfs/dbraw/zinc/60/56/26/375605626.db2.gz IFCJKDYHZCPNOH-ZETCQYMHSA-N 1 3 185.271 -0.421 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@H](N)C1CCC1 646872300 375605737 /nfs/dbraw/zinc/60/57/37/375605737.db2.gz OEBQQZZTQDZKPJ-IONNQARKSA-N 1 3 199.298 -0.175 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@@H](N)C1CCC1 646872298 375605749 /nfs/dbraw/zinc/60/57/49/375605749.db2.gz OEBQQZZTQDZKPJ-APPZFPTMSA-N 1 3 199.298 -0.175 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@@H](N)C1CCC1 646948220 375606528 /nfs/dbraw/zinc/60/65/28/375606528.db2.gz FIYKCHYRBHCROE-CBAPKCEASA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@H](N)C1CCC1 646948221 375606564 /nfs/dbraw/zinc/60/65/64/375606564.db2.gz FIYKCHYRBHCROE-IONNQARKSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)C1(N)CCC1 646948168 375606653 /nfs/dbraw/zinc/60/66/53/375606653.db2.gz ABXBPURCDRVMCJ-ZETCQYMHSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)C1(N)CCC1 646948167 375606754 /nfs/dbraw/zinc/60/67/54/375606754.db2.gz ABXBPURCDRVMCJ-SSDOTTSWSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@@H](N)C1CCC1 646948219 375606896 /nfs/dbraw/zinc/60/68/96/375606896.db2.gz FIYKCHYRBHCROE-APPZFPTMSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@H](N)C1CCC1 646948222 375606943 /nfs/dbraw/zinc/60/69/43/375606943.db2.gz FIYKCHYRBHCROE-VXNVDRBHSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](C[NH3+])NC(=O)C1(N)CCC1 646970006 375607813 /nfs/dbraw/zinc/60/78/13/375607813.db2.gz OHZLVFGWGPUNFO-ZCFIWIBFSA-N 1 3 171.244 -0.669 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@H](N)C1CCC1 647020594 375607841 /nfs/dbraw/zinc/60/78/41/375607841.db2.gz FYXRHFAJVAKZTP-HTRCEHHLSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@H](N)C1CCC1 647020595 375607856 /nfs/dbraw/zinc/60/78/56/375607856.db2.gz FYXRHFAJVAKZTP-POYBYMJQSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@H](N)C1CCC1 646970008 375607994 /nfs/dbraw/zinc/60/79/94/375607994.db2.gz OOKJVLVKGAGEGC-HTRCEHHLSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@@H](N)C1CCC1 646970009 375608270 /nfs/dbraw/zinc/60/82/70/375608270.db2.gz OOKJVLVKGAGEGC-SVRRBLITSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@@H](N)C1CCC1 647020596 375608284 /nfs/dbraw/zinc/60/82/84/375608284.db2.gz FYXRHFAJVAKZTP-SVRRBLITSA-N 1 3 185.271 -0.423 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)C1(N)CCC1 647024031 375609273 /nfs/dbraw/zinc/60/92/73/375609273.db2.gz MMERZWMJIRFWKY-MRVPVSSYSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@@H](CCC[NH3+])NC(=O)C(C)(C)N 647064749 375612554 /nfs/dbraw/zinc/61/25/54/375612554.db2.gz XAKQSVKTIINIDU-ZETCQYMHSA-N 1 3 187.287 -0.033 20 0 ABADHO C[C@H]([NH3+])CNC(=O)C1(N)CCC1 647020751 375609622 /nfs/dbraw/zinc/60/96/22/375609622.db2.gz LGJCEDZDOHTODY-LURJTMIESA-N 1 3 171.244 -0.669 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)C1(N)CCC1 647020752 375609645 /nfs/dbraw/zinc/60/96/45/375609645.db2.gz LGJCEDZDOHTODY-ZCFIWIBFSA-N 1 3 171.244 -0.669 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H](C)CCC[NH3+] 647064568 375612370 /nfs/dbraw/zinc/61/23/70/375612370.db2.gz BYJDSFHWTMDYFH-YUMQZZPRSA-N 1 3 187.287 -0.033 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H](C)CCC[NH3+] 647064473 375612430 /nfs/dbraw/zinc/61/24/30/375612430.db2.gz BYJDSFHWTMDYFH-JGVFFNPUSA-N 1 3 187.287 -0.033 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H](C)CCC[NH3+] 647064472 375612724 /nfs/dbraw/zinc/61/27/24/375612724.db2.gz BYJDSFHWTMDYFH-HTQZYQBOSA-N 1 3 187.287 -0.033 20 0 ABADHO C[C@@H](CCC[NH3+])NC(=O)CNC1CC1 647062710 375612772 /nfs/dbraw/zinc/61/27/72/375612772.db2.gz QYTBVLUHAYQZKD-QMMMGPOBSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H](CCC[NH3+])NC(=O)CNC1CC1 647062709 375612785 /nfs/dbraw/zinc/61/27/85/375612785.db2.gz QYTBVLUHAYQZKD-MRVPVSSYSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@H](N)C(=O)N[C@H](C)CCC[NH3+] 647064567 375612962 /nfs/dbraw/zinc/61/29/62/375612962.db2.gz BYJDSFHWTMDYFH-SFYZADRCSA-N 1 3 187.287 -0.033 20 0 ABADHO C[C@H](CCC[NH3+])NC(=O)C(C)(C)N 647064748 375613036 /nfs/dbraw/zinc/61/30/36/375613036.db2.gz XAKQSVKTIINIDU-SSDOTTSWSA-N 1 3 187.287 -0.033 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@H](C)N 647068992 375614721 /nfs/dbraw/zinc/61/47/21/375614721.db2.gz IEFFQUYCLOLOMB-WDSKDSINSA-N 1 3 159.233 -0.813 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@H](C)N 647068989 375614737 /nfs/dbraw/zinc/61/47/37/375614737.db2.gz IEFFQUYCLOLOMB-NTSWFWBYSA-N 1 3 159.233 -0.813 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)C(C)C 647068951 375614852 /nfs/dbraw/zinc/61/48/52/375614852.db2.gz AEIVKRZXYUITKK-SFYZADRCSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)CC 647069001 375614887 /nfs/dbraw/zinc/61/48/87/375614887.db2.gz IRCBMDRUMFHGMW-RNFRBKRXSA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)C(C)C 647068952 375614924 /nfs/dbraw/zinc/61/49/24/375614924.db2.gz AEIVKRZXYUITKK-YUMQZZPRSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@H](N)C(C)C 647068950 375615112 /nfs/dbraw/zinc/61/51/12/375615112.db2.gz AEIVKRZXYUITKK-JGVFFNPUSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@H](N)CC 647069000 375615127 /nfs/dbraw/zinc/61/51/27/375615127.db2.gz IRCBMDRUMFHGMW-NKWVEPMBSA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@@H](C)N 647068991 375615144 /nfs/dbraw/zinc/61/51/44/375615144.db2.gz IEFFQUYCLOLOMB-RITPCOANSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C 647080713 375618073 /nfs/dbraw/zinc/61/80/73/375618073.db2.gz FINWDJNJAPUOTQ-SFYZADRCSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)C(C)C 647068949 375615269 /nfs/dbraw/zinc/61/52/69/375615269.db2.gz AEIVKRZXYUITKK-HTQZYQBOSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](C)N 647068990 375615288 /nfs/dbraw/zinc/61/52/88/375615288.db2.gz IEFFQUYCLOLOMB-PHDIDXHHSA-N 1 3 159.233 -0.813 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)CC 647068999 375615309 /nfs/dbraw/zinc/61/53/09/375615309.db2.gz IRCBMDRUMFHGMW-BQBZGAKWSA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1NCC1(C)C 647069056 375615766 /nfs/dbraw/zinc/61/57/66/375615766.db2.gz SKSMNXPLALTQAG-YUMQZZPRSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@H]1NCC1(C)C 647069054 375615846 /nfs/dbraw/zinc/61/58/46/375615846.db2.gz SKSMNXPLALTQAG-JGVFFNPUSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@H](N)C1CCC1 647069482 375615893 /nfs/dbraw/zinc/61/58/93/375615893.db2.gz PENZKEVAZGPXGO-DTWKUNHWSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)C1CCC1 647069483 375615912 /nfs/dbraw/zinc/61/59/12/375615912.db2.gz PENZKEVAZGPXGO-IUCAKERBSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)C1(N)CCC1 647069445 375615950 /nfs/dbraw/zinc/61/59/50/375615950.db2.gz DYHIFUBWSZEPKS-SSDOTTSWSA-N 1 3 185.271 -0.279 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@@H]1NCC1(C)C 647069055 375616027 /nfs/dbraw/zinc/61/60/27/375616027.db2.gz SKSMNXPLALTQAG-SFYZADRCSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)C(C)(C)N 647069060 375616055 /nfs/dbraw/zinc/61/60/55/375616055.db2.gz SYYPDPIDTKTNIU-ZCFIWIBFSA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)CNC 647069021 375616102 /nfs/dbraw/zinc/61/61/02/375616102.db2.gz NAKARJLQKCSMKL-LURJTMIESA-N 1 3 159.233 -0.941 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)C(C)(C)N 647069059 375616139 /nfs/dbraw/zinc/61/61/39/375616139.db2.gz SYYPDPIDTKTNIU-LURJTMIESA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)C1CCC1 647069484 375616192 /nfs/dbraw/zinc/61/61/92/375616192.db2.gz PENZKEVAZGPXGO-RKDXNWHRSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)CNC 647069022 375616211 /nfs/dbraw/zinc/61/62/11/375616211.db2.gz NAKARJLQKCSMKL-ZCFIWIBFSA-N 1 3 159.233 -0.941 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]([NH3+])CC 647069002 375616227 /nfs/dbraw/zinc/61/62/27/375616227.db2.gz IRCBMDRUMFHGMW-RQJHMYQMSA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)C1(N)CCC1 647069446 375616308 /nfs/dbraw/zinc/61/63/08/375616308.db2.gz DYHIFUBWSZEPKS-ZETCQYMHSA-N 1 3 185.271 -0.279 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)CNC1CC1 647069589 375616348 /nfs/dbraw/zinc/61/63/48/375616348.db2.gz GYCDYLFIADJAJD-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)C1CCC1 647069481 375616367 /nfs/dbraw/zinc/61/63/67/375616367.db2.gz PENZKEVAZGPXGO-BDAKNGLRSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@H]1NCC1(C)C 647069053 375616383 /nfs/dbraw/zinc/61/63/83/375616383.db2.gz SKSMNXPLALTQAG-HTQZYQBOSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)CNC1CC1 647069588 375616416 /nfs/dbraw/zinc/61/64/16/375616416.db2.gz GYCDYLFIADJAJD-SSDOTTSWSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 647077343 375616888 /nfs/dbraw/zinc/61/68/88/375616888.db2.gz SEPPLQHAAUCLJE-RKDXNWHRSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)F 647070268 375616981 /nfs/dbraw/zinc/61/69/81/375616981.db2.gz UCPFRJWTHAPVFH-RFZPGFLSSA-N 1 3 195.213 -0.568 20 0 ABADHO C[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 647077342 375617105 /nfs/dbraw/zinc/61/71/05/375617105.db2.gz SEPPLQHAAUCLJE-IUCAKERBSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F 647070269 375617194 /nfs/dbraw/zinc/61/71/94/375617194.db2.gz UCPFRJWTHAPVFH-UHNVWZDZSA-N 1 3 195.213 -0.568 20 0 ABADHO C[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 647077341 375617155 /nfs/dbraw/zinc/61/71/55/375617155.db2.gz SEPPLQHAAUCLJE-DTWKUNHWSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F 647070266 375617167 /nfs/dbraw/zinc/61/71/67/375617167.db2.gz UCPFRJWTHAPVFH-CRCLSJGQSA-N 1 3 195.213 -0.568 20 0 ABADHO CNCC(=O)N[C@@H](CC[NH3+])C(F)F 647071987 375617180 /nfs/dbraw/zinc/61/71/80/375617180.db2.gz BXNJXXXMTXTQTC-YFKPBYRVSA-N 1 3 195.213 -0.696 20 0 ABADHO C[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 647077340 375617270 /nfs/dbraw/zinc/61/72/70/375617270.db2.gz SEPPLQHAAUCLJE-BDAKNGLRSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F 647070270 375617440 /nfs/dbraw/zinc/61/74/40/375617440.db2.gz UCPFRJWTHAPVFH-WHFBIAKZSA-N 1 3 195.213 -0.568 20 0 ABADHO CNCC(=O)N[C@H](CC[NH3+])C(F)F 647071986 375617542 /nfs/dbraw/zinc/61/75/42/375617542.db2.gz BXNJXXXMTXTQTC-RXMQYKEDSA-N 1 3 195.213 -0.696 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C 647080712 375617996 /nfs/dbraw/zinc/61/79/96/375617996.db2.gz FINWDJNJAPUOTQ-JGVFFNPUSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 647084119 375618035 /nfs/dbraw/zinc/61/80/35/375618035.db2.gz MJTKTNKVPQWERG-CBAPKCEASA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N[C@H](C[NH3+])C1CCCC1 647084329 375618052 /nfs/dbraw/zinc/61/80/52/375618052.db2.gz KNTGLVVPXNJKRG-SECBINFHSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 647082891 375618094 /nfs/dbraw/zinc/61/80/94/375618094.db2.gz RPUCOZMVTZWCHB-DJLDLDEBSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 647084121 375618112 /nfs/dbraw/zinc/61/81/12/375618112.db2.gz MJTKTNKVPQWERG-VXNVDRBHSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C 647080714 375618124 /nfs/dbraw/zinc/61/81/24/375618124.db2.gz FINWDJNJAPUOTQ-YUMQZZPRSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 647082894 375618206 /nfs/dbraw/zinc/61/82/06/375618206.db2.gz RPUCOZMVTZWCHB-IWSPIJDZSA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N[C@H]1CC[NH2+]CC1(C)C 647080693 375618229 /nfs/dbraw/zinc/61/82/29/375618229.db2.gz CVLAMTFWRINGMD-QMMMGPOBSA-N 1 3 199.298 -0.290 20 0 ABADHO C[C@@H]1CN(C(=O)CNC2CC2)C[C@H]1[NH3+] 647084400 375618279 /nfs/dbraw/zinc/61/82/79/375618279.db2.gz XEJWVVBCILDRSL-VXNVDRBHSA-N 1 3 197.282 -0.456 20 0 ABADHO CC(C)[C@H](N)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647084416 375618290 /nfs/dbraw/zinc/61/82/90/375618290.db2.gz ZWFMIPATZPSXIK-HLTSFMKQSA-N 1 3 199.298 -0.225 20 0 ABADHO CNCC(=O)NCCC[C@H]1CCC[NH2+]1 647077359 375618308 /nfs/dbraw/zinc/61/83/08/375618308.db2.gz VRQBJKGZHYFHLA-SECBINFHSA-N 1 3 199.298 -0.146 20 0 ABADHO CC(C)(N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 647082796 375618372 /nfs/dbraw/zinc/61/83/72/375618372.db2.gz JDGSJMFZYXQFMP-HTQZYQBOSA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N[C@@H](C[NH3+])C1CCCC1 647084330 375618927 /nfs/dbraw/zinc/61/89/27/375618927.db2.gz KNTGLVVPXNJKRG-VIFPVBQESA-N 1 3 199.298 -0.161 20 0 ABADHO CC(C)(N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 647082797 375618409 /nfs/dbraw/zinc/61/84/09/375618409.db2.gz JDGSJMFZYXQFMP-JGVFFNPUSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 647082897 375618994 /nfs/dbraw/zinc/61/89/94/375618994.db2.gz RPUCOZMVTZWCHB-YIZRAAEISA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647084410 375618444 /nfs/dbraw/zinc/61/84/44/375618444.db2.gz ZOOOHDNRZJRTTB-DSYKOEDSSA-N 1 3 171.244 -0.861 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 647082896 375618475 /nfs/dbraw/zinc/61/84/75/375618475.db2.gz RPUCOZMVTZWCHB-XHNCKOQMSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C 647080711 375618509 /nfs/dbraw/zinc/61/85/09/375618509.db2.gz FINWDJNJAPUOTQ-HTQZYQBOSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 647082895 375618583 /nfs/dbraw/zinc/61/85/83/375618583.db2.gz RPUCOZMVTZWCHB-VGMNWLOBSA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N[C@@H]1CC[NH2+]CC1(C)C 647080692 375618639 /nfs/dbraw/zinc/61/86/39/375618639.db2.gz CVLAMTFWRINGMD-MRVPVSSYSA-N 1 3 199.298 -0.290 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 647084120 375618679 /nfs/dbraw/zinc/61/86/79/375618679.db2.gz MJTKTNKVPQWERG-IONNQARKSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 647082892 375618701 /nfs/dbraw/zinc/61/87/01/375618701.db2.gz RPUCOZMVTZWCHB-HLTSFMKQSA-N 1 3 199.298 -0.033 20 0 ABADHO CC(C)(N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 647082799 375618737 /nfs/dbraw/zinc/61/87/37/375618737.db2.gz JDGSJMFZYXQFMP-YUMQZZPRSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 647082890 375618747 /nfs/dbraw/zinc/61/87/47/375618747.db2.gz RPUCOZMVTZWCHB-CIUDSAMLSA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 647086790 375620084 /nfs/dbraw/zinc/62/00/84/375620084.db2.gz HRSKKYZLUFZYFB-RKDXNWHRSA-N 1 3 199.298 -0.351 20 0 ABADHO CNCC(=O)NCCC[C@@H]1CCC[NH2+]1 647077360 375618796 /nfs/dbraw/zinc/61/87/96/375618796.db2.gz VRQBJKGZHYFHLA-VIFPVBQESA-N 1 3 199.298 -0.146 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 647082893 375618822 /nfs/dbraw/zinc/61/88/22/375618822.db2.gz RPUCOZMVTZWCHB-HRDYMLBCSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 647084118 375618853 /nfs/dbraw/zinc/61/88/53/375618853.db2.gz MJTKTNKVPQWERG-APPZFPTMSA-N 1 3 199.298 -0.033 20 0 ABADHO CC(C)(N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 647082798 375618913 /nfs/dbraw/zinc/61/89/13/375618913.db2.gz JDGSJMFZYXQFMP-SFYZADRCSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 647086806 375620176 /nfs/dbraw/zinc/62/01/76/375620176.db2.gz KSYQYCZNRYONKS-HRDYMLBCSA-N 1 3 199.298 -0.223 20 0 ABADHO CNCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 647086789 375619798 /nfs/dbraw/zinc/61/97/98/375619798.db2.gz HRSKKYZLUFZYFB-IUCAKERBSA-N 1 3 199.298 -0.351 20 0 ABADHO CNCC(=O)N(C)[C@H](C[NH3+])C1CC1 647085504 375619833 /nfs/dbraw/zinc/61/98/33/375619833.db2.gz HIDLGRPEOHRUMQ-MRVPVSSYSA-N 1 3 185.271 -0.599 20 0 ABADHO CNCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 647086788 375619838 /nfs/dbraw/zinc/61/98/38/375619838.db2.gz HRSKKYZLUFZYFB-DTWKUNHWSA-N 1 3 199.298 -0.351 20 0 ABADHO CNCC(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085222 375619862 /nfs/dbraw/zinc/61/98/62/375619862.db2.gz XXNFTMRJWKJCDC-RNFRBKRXSA-N 1 3 171.244 -0.989 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085244 375619874 /nfs/dbraw/zinc/61/98/74/375619874.db2.gz ZOOOHDNRZJRTTB-FSDSQADBSA-N 1 3 171.244 -0.861 20 0 ABADHO C[C@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 647085092 375619931 /nfs/dbraw/zinc/61/99/31/375619931.db2.gz KWITWKFGOGYQPW-XPUUQOCRSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H]1CCN(C(=O)[C@@H](C)N)C[C@H]1C[NH3+] 647086804 375619943 /nfs/dbraw/zinc/61/99/43/375619943.db2.gz KSYQYCZNRYONKS-DJLDLDEBSA-N 1 3 199.298 -0.223 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 647086805 375619952 /nfs/dbraw/zinc/61/99/52/375619952.db2.gz KSYQYCZNRYONKS-HLTSFMKQSA-N 1 3 199.298 -0.223 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085144 375619991 /nfs/dbraw/zinc/61/99/91/375619991.db2.gz QYRHQKDYZZOHIV-BWZBUEFSSA-N 1 3 185.271 -0.471 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085147 375620073 /nfs/dbraw/zinc/62/00/73/375620073.db2.gz QYRHQKDYZZOHIV-GJMOJQLCSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 647086809 375620216 /nfs/dbraw/zinc/62/02/16/375620216.db2.gz KSYQYCZNRYONKS-XHNCKOQMSA-N 1 3 199.298 -0.223 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 647086808 375620236 /nfs/dbraw/zinc/62/02/36/375620236.db2.gz KSYQYCZNRYONKS-VGMNWLOBSA-N 1 3 199.298 -0.223 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 647086803 375620355 /nfs/dbraw/zinc/62/03/55/375620355.db2.gz KSYQYCZNRYONKS-CIUDSAMLSA-N 1 3 199.298 -0.223 20 0 ABADHO C[C@H]1CCN(C(=O)[C@@H](C)N)C[C@@H]1C[NH3+] 647086810 375620402 /nfs/dbraw/zinc/62/04/02/375620402.db2.gz KSYQYCZNRYONKS-YIZRAAEISA-N 1 3 199.298 -0.223 20 0 ABADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 647085260 375620436 /nfs/dbraw/zinc/62/04/36/375620436.db2.gz ZWFMIPATZPSXIK-IWSPIJDZSA-N 1 3 199.298 -0.225 20 0 ABADHO CNCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 647086787 375620452 /nfs/dbraw/zinc/62/04/52/375620452.db2.gz HRSKKYZLUFZYFB-BDAKNGLRSA-N 1 3 199.298 -0.351 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 647086807 375620476 /nfs/dbraw/zinc/62/04/76/375620476.db2.gz KSYQYCZNRYONKS-IWSPIJDZSA-N 1 3 199.298 -0.223 20 0 ABADHO CNCC(=O)N(C)[C@@H](C[NH3+])C1CC1 647085505 375620491 /nfs/dbraw/zinc/62/04/91/375620491.db2.gz HIDLGRPEOHRUMQ-QMMMGPOBSA-N 1 3 185.271 -0.599 20 0 ABADHO C[C@@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 647085091 375620549 /nfs/dbraw/zinc/62/05/49/375620549.db2.gz KWITWKFGOGYQPW-SVRRBLITSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 647085090 375620592 /nfs/dbraw/zinc/62/05/92/375620592.db2.gz KWITWKFGOGYQPW-POYBYMJQSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 647085089 375620621 /nfs/dbraw/zinc/62/06/21/375620621.db2.gz KWITWKFGOGYQPW-HTRCEHHLSA-N 1 3 185.271 -0.471 20 0 ABADHO CN(CC[NH3+])C(=O)CNC1CC1 647088773 375621468 /nfs/dbraw/zinc/62/14/68/375621468.db2.gz RYZISJVFABZVLA-UHFFFAOYSA-N 1 3 171.244 -0.845 20 0 ABADHO CN(CC[NH3+])C(=O)C(C)(C)N 647088679 375621415 /nfs/dbraw/zinc/62/14/15/375621415.db2.gz RLDKYAXWJGMTQT-UHFFFAOYSA-N 1 3 159.233 -0.859 20 0 ABADHO CCC[C@](C)(N)C(=O)N(C)CC[NH3+] 647088792 375621419 /nfs/dbraw/zinc/62/14/19/375621419.db2.gz WKZGSVZULBYNSM-VIFPVBQESA-N 1 3 187.287 -0.079 20 0 ABADHO CC(C)C[C@H](N)C(=O)N(C)CC[NH3+] 647088731 375621472 /nfs/dbraw/zinc/62/14/72/375621472.db2.gz FKFCNVNTOXMRMS-QMMMGPOBSA-N 1 3 187.287 -0.223 20 0 ABADHO CC[C@@H](N)C(=O)N(C)CC[NH3+] 647088618 375621489 /nfs/dbraw/zinc/62/14/89/375621489.db2.gz GSGHMQJNUBWIIZ-ZCFIWIBFSA-N 1 3 159.233 -0.859 20 0 ABADHO CC(C)[C@H](N)C(=O)N(C)CC[NH3+] 647088621 375621505 /nfs/dbraw/zinc/62/15/05/375621505.db2.gz HBCRCEPCNWBVOV-ZETCQYMHSA-N 1 3 173.260 -0.613 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CC[NH3+] 647088781 375621538 /nfs/dbraw/zinc/62/15/38/375621538.db2.gz UNCPGBSGTDBAET-SFYZADRCSA-N 1 3 187.287 -0.223 20 0 ABADHO CN(CC[NH3+])C(=O)[C@@H](N)C1CCC1 647088805 375621549 /nfs/dbraw/zinc/62/15/49/375621549.db2.gz ZUMWPMQDAOLQEF-QMMMGPOBSA-N 1 3 185.271 -0.469 20 0 ABADHO CC(C)C[C@@H](N)C(=O)N(C)CC[NH3+] 647088730 375621599 /nfs/dbraw/zinc/62/15/99/375621599.db2.gz FKFCNVNTOXMRMS-MRVPVSSYSA-N 1 3 187.287 -0.223 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)N(C)CC[NH3+] 647088782 375621635 /nfs/dbraw/zinc/62/16/35/375621635.db2.gz UNCPGBSGTDBAET-YUMQZZPRSA-N 1 3 187.287 -0.223 20 0 ABADHO CN1CCC(C(=O)N(C)CC[NH3+])CC1 647088803 375621685 /nfs/dbraw/zinc/62/16/85/375621685.db2.gz ZHVQDBVCILOJBL-UHFFFAOYSA-N 1 3 199.298 -0.255 20 0 ABADHO CN(CC[NH3+])C(=O)[C@H](N)C1CCC1 647088804 375621697 /nfs/dbraw/zinc/62/16/97/375621697.db2.gz ZUMWPMQDAOLQEF-MRVPVSSYSA-N 1 3 185.271 -0.469 20 0 ABADHO CCC[C@@](C)(N)C(=O)N(C)CC[NH3+] 647088791 375621707 /nfs/dbraw/zinc/62/17/07/375621707.db2.gz WKZGSVZULBYNSM-SECBINFHSA-N 1 3 187.287 -0.079 20 0 ABADHO CC[C@H](N)C(=O)N(C)CC[NH3+] 647088617 375621719 /nfs/dbraw/zinc/62/17/19/375621719.db2.gz GSGHMQJNUBWIIZ-LURJTMIESA-N 1 3 159.233 -0.859 20 0 ABADHO CCCN(C)CC(=O)N(C)CC[NH3+] 647088608 375621734 /nfs/dbraw/zinc/62/17/34/375621734.db2.gz FIGODVWWGOTJGG-UHFFFAOYSA-N 1 3 187.287 -0.255 20 0 ABADHO CC(C)N(C)CC(=O)N(C)CC[NH3+] 647088685 375621769 /nfs/dbraw/zinc/62/17/69/375621769.db2.gz SSFWSWFWXKUBBK-UHFFFAOYSA-N 1 3 187.287 -0.256 20 0 ABADHO CC(C)[C@@H](N)C(=O)N(C)CC[NH3+] 647088620 375621794 /nfs/dbraw/zinc/62/17/94/375621794.db2.gz HBCRCEPCNWBVOV-SSDOTTSWSA-N 1 3 173.260 -0.613 20 0 ABADHO COCCNCCNCC(C)(C)[NH3+] 647547196 375660206 /nfs/dbraw/zinc/66/02/06/375660206.db2.gz QPLHZWMZRCGAKY-UHFFFAOYSA-N 1 3 189.303 -0.451 20 0 ABADHO C1C[NH2+]C[C@@H](NC[C@@H]2CNCCO2)C1 647551915 375662373 /nfs/dbraw/zinc/66/23/73/375662373.db2.gz VQMFTWWJKIUKQA-UWVGGRQHSA-N 1 3 199.298 -0.684 20 0 ABADHO C1C[NH2+]C[C@H](NC[C@H]2CNCCO2)C1 647551914 375662443 /nfs/dbraw/zinc/66/24/43/375662443.db2.gz VQMFTWWJKIUKQA-NXEZZACHSA-N 1 3 199.298 -0.684 20 0 ABADHO C1C[NH2+]C[C@@H](NC[C@H]2CNCCO2)C1 647551916 375662776 /nfs/dbraw/zinc/66/27/76/375662776.db2.gz VQMFTWWJKIUKQA-VHSXEESVSA-N 1 3 199.298 -0.684 20 0 ABADHO C1C[NH2+]C[C@H](NC[C@@H]2CNCCO2)C1 647551917 375663076 /nfs/dbraw/zinc/66/30/76/375663076.db2.gz VQMFTWWJKIUKQA-ZJUUUORDSA-N 1 3 199.298 -0.684 20 0 ABADHO C[C@H]([NH2+]CC1(N)CCC1)C(=O)N(C)C 647907655 375674892 /nfs/dbraw/zinc/67/48/92/375674892.db2.gz WYIMWZDCJBCACI-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]([NH2+]CC1(N)CCC1)C(=O)N(C)C 647907654 375675144 /nfs/dbraw/zinc/67/51/44/375675144.db2.gz WYIMWZDCJBCACI-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO CN(C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 648136180 375695563 /nfs/dbraw/zinc/69/55/63/375695563.db2.gz CTIPGHZLOOSJGF-OCAPTIKFSA-N 1 3 185.271 -0.599 20 0 ABADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN 648156214 375699729 /nfs/dbraw/zinc/69/97/29/375699729.db2.gz GHILNEWOBNWCSO-BDAKNGLRSA-N 1 3 199.298 -0.256 20 0 ABADHO NCC(=O)NCCC[C@H]1CCC[NH2+]1 648147382 375697818 /nfs/dbraw/zinc/69/78/18/375697818.db2.gz RXACQSTXLWDVPR-MRVPVSSYSA-N 1 3 185.271 -0.407 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 648148485 375697838 /nfs/dbraw/zinc/69/78/38/375697838.db2.gz KBKJGGKGBILKOL-HRDYMLBCSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 648148486 375697940 /nfs/dbraw/zinc/69/79/40/375697940.db2.gz KBKJGGKGBILKOL-XHNCKOQMSA-N 1 3 197.282 -0.456 20 0 ABADHO CC[C@@H](N)C(=O)N(C)C1CC([NH3+])C1 648146789 375698022 /nfs/dbraw/zinc/69/80/22/375698022.db2.gz SAZZXAHWDBXMEZ-KAVNDROISA-N 1 3 185.271 -0.328 20 0 ABADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)CN 648148176 375698104 /nfs/dbraw/zinc/69/81/04/375698104.db2.gz OVZJBOYSABKFDL-SSDOTTSWSA-N 1 3 185.271 -0.551 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)C1(N)CC1 648145403 375698232 /nfs/dbraw/zinc/69/82/32/375698232.db2.gz OZCQYYDEHXYFIY-ZCFIWIBFSA-N 1 3 171.244 -0.669 20 0 ABADHO NCC(=O)NCCC[C@@H]1CCC[NH2+]1 648147383 375698307 /nfs/dbraw/zinc/69/83/07/375698307.db2.gz RXACQSTXLWDVPR-QMMMGPOBSA-N 1 3 185.271 -0.407 20 0 ABADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CN 648148177 375698506 /nfs/dbraw/zinc/69/85/06/375698506.db2.gz OVZJBOYSABKFDL-ZETCQYMHSA-N 1 3 185.271 -0.551 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C 648148654 375698548 /nfs/dbraw/zinc/69/85/48/375698548.db2.gz VDTRNQOHMOEMKP-HTQZYQBOSA-N 1 3 199.298 -0.020 20 0 ABADHO CNCC(=O)N(C)C1(C[NH3+])CCC1 648147056 375698586 /nfs/dbraw/zinc/69/85/86/375698586.db2.gz BYVUNQVVPPVUBG-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C 648148655 375698663 /nfs/dbraw/zinc/69/86/63/375698663.db2.gz VDTRNQOHMOEMKP-SFYZADRCSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@@H](N)C(=O)NCCC[NH2+]C1CC1 648202505 375703421 /nfs/dbraw/zinc/70/34/21/375703421.db2.gz GXJFVBFCMOINQP-SSDOTTSWSA-N 1 3 185.271 -0.408 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)C1(N)CC1 648145402 375698711 /nfs/dbraw/zinc/69/87/11/375698711.db2.gz OZCQYYDEHXYFIY-LURJTMIESA-N 1 3 171.244 -0.669 20 0 ABADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN 648156216 375699566 /nfs/dbraw/zinc/69/95/66/375699566.db2.gz GHILNEWOBNWCSO-IUCAKERBSA-N 1 3 199.298 -0.256 20 0 ABADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN 648156216 375699569 /nfs/dbraw/zinc/69/95/69/375699569.db2.gz GHILNEWOBNWCSO-IUCAKERBSA-N 1 3 199.298 -0.256 20 0 ABADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN 648156217 375699597 /nfs/dbraw/zinc/69/95/97/375699597.db2.gz GHILNEWOBNWCSO-RKDXNWHRSA-N 1 3 199.298 -0.256 20 0 ABADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN 648156217 375699599 /nfs/dbraw/zinc/69/95/99/375699599.db2.gz GHILNEWOBNWCSO-RKDXNWHRSA-N 1 3 199.298 -0.256 20 0 ABADHO CN(CC[N@H+](C)C1CC1)C(=O)CN 648165916 375699664 /nfs/dbraw/zinc/69/96/64/375699664.db2.gz VTPMKDQHYDVWEQ-UHFFFAOYSA-N 1 3 185.271 -0.502 20 0 ABADHO CN(CC[N@@H+](C)C1CC1)C(=O)CN 648165916 375699665 /nfs/dbraw/zinc/69/96/65/375699665.db2.gz VTPMKDQHYDVWEQ-UHFFFAOYSA-N 1 3 185.271 -0.502 20 0 ABADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN 648156214 375699731 /nfs/dbraw/zinc/69/97/31/375699731.db2.gz GHILNEWOBNWCSO-BDAKNGLRSA-N 1 3 199.298 -0.256 20 0 ABADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN 648156215 375699850 /nfs/dbraw/zinc/69/98/50/375699850.db2.gz GHILNEWOBNWCSO-DTWKUNHWSA-N 1 3 199.298 -0.256 20 0 ABADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN 648156215 375699856 /nfs/dbraw/zinc/69/98/56/375699856.db2.gz GHILNEWOBNWCSO-DTWKUNHWSA-N 1 3 199.298 -0.256 20 0 ABADHO CC[C@@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 648176728 375700552 /nfs/dbraw/zinc/70/05/52/375700552.db2.gz KPPBKVNMUFMVSA-RKDXNWHRSA-N 1 3 199.298 -0.081 20 0 ABADHO NCC(=O)N[C@@H](C[NH3+])C1CCCC1 648176746 375700579 /nfs/dbraw/zinc/70/05/79/375700579.db2.gz LJYMDANYXVCOSS-QMMMGPOBSA-N 1 3 185.271 -0.421 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C 648177122 375700633 /nfs/dbraw/zinc/70/06/33/375700633.db2.gz JCZPPWJEGBSUGM-RQJHMYQMSA-N 1 3 187.287 -0.177 20 0 ABADHO C[C@@H]1C[C@@H](C)N(C(=O)CN)C[C@@H]1C[NH3+] 648179571 375700662 /nfs/dbraw/zinc/70/06/62/375700662.db2.gz FIWPZUVXOKXEGE-HLTSFMKQSA-N 1 3 199.298 -0.223 20 0 ABADHO C[C@H]1C[C@@H](C)[C@@H](C[NH3+])CN1C(=O)CN 648179574 375700733 /nfs/dbraw/zinc/70/07/33/375700733.db2.gz FIWPZUVXOKXEGE-VGMNWLOBSA-N 1 3 199.298 -0.223 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C 648177120 375700743 /nfs/dbraw/zinc/70/07/43/375700743.db2.gz JCZPPWJEGBSUGM-NKWVEPMBSA-N 1 3 187.287 -0.177 20 0 ABADHO C[C@@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C 648177121 375700762 /nfs/dbraw/zinc/70/07/62/375700762.db2.gz JCZPPWJEGBSUGM-RNFRBKRXSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 648176727 375700799 /nfs/dbraw/zinc/70/07/99/375700799.db2.gz KPPBKVNMUFMVSA-IUCAKERBSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]1C[C@@H](C)[C@H](C[NH3+])CN1C(=O)CN 648179572 375700953 /nfs/dbraw/zinc/70/09/53/375700953.db2.gz FIWPZUVXOKXEGE-HRDYMLBCSA-N 1 3 199.298 -0.223 20 0 ABADHO C[C@@H]1C[C@@H](C)N(C(=O)CN)C[C@H]1C[NH3+] 648179573 375701000 /nfs/dbraw/zinc/70/10/00/375701000.db2.gz FIWPZUVXOKXEGE-IWSPIJDZSA-N 1 3 199.298 -0.223 20 0 ABADHO CNCC(=O)N[C@@H](C[NH3+])C(C)(C)C 648177359 375701011 /nfs/dbraw/zinc/70/10/11/375701011.db2.gz VENGUQUVWIWCEP-ZETCQYMHSA-N 1 3 187.287 -0.305 20 0 ABADHO CN(CC[NH3+])C(=O)[C@@H](N)C(C)(C)C 648177682 375701027 /nfs/dbraw/zinc/70/10/27/375701027.db2.gz NETROLXJIWRBGQ-SSDOTTSWSA-N 1 3 187.287 -0.223 20 0 ABADHO CNCC(=O)N[C@H](C[NH3+])C(C)(C)C 648177358 375701076 /nfs/dbraw/zinc/70/10/76/375701076.db2.gz VENGUQUVWIWCEP-SSDOTTSWSA-N 1 3 187.287 -0.305 20 0 ABADHO C[C@@H]1CN(C(=O)C2(N)CC2)C[C@H]1[NH3+] 648176615 375701087 /nfs/dbraw/zinc/70/10/87/375701087.db2.gz DKQCADTYLBPLRF-RNFRBKRXSA-N 1 3 183.255 -0.717 20 0 ABADHO CNCC(=O)NC(C)(C)CC[NH3+] 648179398 375701107 /nfs/dbraw/zinc/70/11/07/375701107.db2.gz RHPVVHIHXOCSNS-UHFFFAOYSA-N 1 3 173.260 -0.551 20 0 ABADHO C[C@H](N)C(=O)NC(C)(C)CC[NH3+] 648179362 375701130 /nfs/dbraw/zinc/70/11/30/375701130.db2.gz ODMRMKHTSOJONV-LURJTMIESA-N 1 3 173.260 -0.423 20 0 ABADHO CN(C(=O)CN)[C@@H](C[NH3+])C1CC1 648176720 375701146 /nfs/dbraw/zinc/70/11/46/375701146.db2.gz KLXZRQLMMZXPRM-ZETCQYMHSA-N 1 3 171.244 -0.859 20 0 ABADHO CC(C)(C)[C@H](C[NH3+])NC(=O)CN 648177376 375701160 /nfs/dbraw/zinc/70/11/60/375701160.db2.gz WQIOEJYTRSFHTR-LURJTMIESA-N 1 3 173.260 -0.565 20 0 ABADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)CN 648177377 375701199 /nfs/dbraw/zinc/70/11/99/375701199.db2.gz WQIOEJYTRSFHTR-ZCFIWIBFSA-N 1 3 173.260 -0.565 20 0 ABADHO NCC(=O)N[C@H](C[NH3+])C1CCCC1 648176745 375701211 /nfs/dbraw/zinc/70/12/11/375701211.db2.gz LJYMDANYXVCOSS-MRVPVSSYSA-N 1 3 185.271 -0.421 20 0 ABADHO CC[C@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 648176726 375701232 /nfs/dbraw/zinc/70/12/32/375701232.db2.gz KPPBKVNMUFMVSA-DTWKUNHWSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H](N)C(=O)NC(C)(C)CC[NH3+] 648179355 375701269 /nfs/dbraw/zinc/70/12/69/375701269.db2.gz NFQBQKPGVWAFMJ-SSDOTTSWSA-N 1 3 187.287 -0.033 20 0 ABADHO CC[C@H](N)C(=O)NC(C)(C)CC[NH3+] 648179356 375701346 /nfs/dbraw/zinc/70/13/46/375701346.db2.gz NFQBQKPGVWAFMJ-ZETCQYMHSA-N 1 3 187.287 -0.033 20 0 ABADHO C[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C 648177119 375701389 /nfs/dbraw/zinc/70/13/89/375701389.db2.gz JCZPPWJEGBSUGM-BQBZGAKWSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 648176725 375701437 /nfs/dbraw/zinc/70/14/37/375701437.db2.gz KPPBKVNMUFMVSA-BDAKNGLRSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H](N)C(=O)NC(C)(C)CC[NH3+] 648179363 375701446 /nfs/dbraw/zinc/70/14/46/375701446.db2.gz ODMRMKHTSOJONV-ZCFIWIBFSA-N 1 3 173.260 -0.423 20 0 ABADHO CN(C(=O)CN)[C@H](C[NH3+])C1CC1 648176719 375701461 /nfs/dbraw/zinc/70/14/61/375701461.db2.gz KLXZRQLMMZXPRM-SSDOTTSWSA-N 1 3 171.244 -0.859 20 0 ABADHO CC(C)(CC[NH3+])NC(=O)CN 648179471 375701484 /nfs/dbraw/zinc/70/14/84/375701484.db2.gz YPONHLZJBGUOTK-UHFFFAOYSA-N 1 3 159.233 -0.811 20 0 ABADHO C[C@H]([NH3+])C[C@@H](C)NC(=O)CNC1CC1 648190262 375702041 /nfs/dbraw/zinc/70/20/41/375702041.db2.gz LIMTWMXGLGTWRX-JGVFFNPUSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@@H](C[C@@H](C)[NH3+])NC(=O)CN 648188188 375702074 /nfs/dbraw/zinc/70/20/74/375702074.db2.gz YCAKZCOOJZWRNL-RITPCOANSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@@H](C[C@@H](C)[NH3+])NC(=O)CNC1CC1 648190263 375702090 /nfs/dbraw/zinc/70/20/90/375702090.db2.gz LIMTWMXGLGTWRX-SFYZADRCSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H]([NH3+])C[C@@H](C)NC(=O)C(C)(C)N 648188031 375702104 /nfs/dbraw/zinc/70/21/04/375702104.db2.gz MPUOVBZHDYBTIB-NKWVEPMBSA-N 1 3 187.287 -0.034 20 0 ABADHO CNCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] 648187875 375702120 /nfs/dbraw/zinc/70/21/20/375702120.db2.gz AHYVGDBQIIVIIZ-RQJHMYQMSA-N 1 3 173.260 -0.552 20 0 ABADHO C[C@@H](C[C@@H](C)[NH3+])NC(=O)[C@@H](C)N 648187928 375702148 /nfs/dbraw/zinc/70/21/48/375702148.db2.gz DFFAQFLRCFYDEG-DSYKOEDSSA-N 1 3 173.260 -0.424 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] 648190204 375702182 /nfs/dbraw/zinc/70/21/82/375702182.db2.gz GZBIDERNMYRYFM-BWZBUEFSSA-N 1 3 187.287 -0.034 20 0 ABADHO C[C@@H](C[C@@H](C)[NH3+])NC(=O)C1(N)CC1 648188181 375702202 /nfs/dbraw/zinc/70/22/02/375702202.db2.gz XEKXVMMPYXKUMO-RQJHMYQMSA-N 1 3 185.271 -0.280 20 0 ABADHO CC[C@H](N)C(=O)N[C@H](C)C[C@H](C)[NH3+] 648187964 375702217 /nfs/dbraw/zinc/70/22/17/375702217.db2.gz GZBIDERNMYRYFM-RNJXMRFFSA-N 1 3 187.287 -0.034 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] 648190205 375702228 /nfs/dbraw/zinc/70/22/28/375702228.db2.gz GZBIDERNMYRYFM-GJMOJQLCSA-N 1 3 187.287 -0.034 20 0 ABADHO C[C@H]([NH3+])C[C@@H](C)NC(=O)C1(N)CC1 648188179 375702238 /nfs/dbraw/zinc/70/22/38/375702238.db2.gz XEKXVMMPYXKUMO-NKWVEPMBSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)N 648187927 375702269 /nfs/dbraw/zinc/70/22/69/375702269.db2.gz DFFAQFLRCFYDEG-ACZMJKKPSA-N 1 3 173.260 -0.424 20 0 ABADHO C[C@H]([NH3+])C[C@@H](C)NC(=O)[C@H](C)N 648187934 375702317 /nfs/dbraw/zinc/70/23/17/375702317.db2.gz DFFAQFLRCFYDEG-XVMARJQXSA-N 1 3 173.260 -0.424 20 0 ABADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(C)(C)N 648188030 375702371 /nfs/dbraw/zinc/70/23/71/375702371.db2.gz MPUOVBZHDYBTIB-BQBZGAKWSA-N 1 3 187.287 -0.034 20 0 ABADHO C[C@@H](C[C@@H](C)[NH3+])NC(=O)C(C)(C)N 648188033 375702429 /nfs/dbraw/zinc/70/24/29/375702429.db2.gz MPUOVBZHDYBTIB-RQJHMYQMSA-N 1 3 187.287 -0.034 20 0 ABADHO CNCC(=O)N[C@H](C)C[C@H](C)[NH3+] 648187873 375702441 /nfs/dbraw/zinc/70/24/41/375702441.db2.gz AHYVGDBQIIVIIZ-NKWVEPMBSA-N 1 3 173.260 -0.552 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H](C)C[C@H](C)[NH3+] 648190206 375702463 /nfs/dbraw/zinc/70/24/63/375702463.db2.gz GZBIDERNMYRYFM-XLPZGREQSA-N 1 3 187.287 -0.034 20 0 ABADHO C[C@@H](C[C@@H](C)[NH3+])NC(=O)[C@H](C)N 648187933 375702475 /nfs/dbraw/zinc/70/24/75/375702475.db2.gz DFFAQFLRCFYDEG-VQVTYTSYSA-N 1 3 173.260 -0.424 20 0 ABADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CN 648188187 375702494 /nfs/dbraw/zinc/70/24/94/375702494.db2.gz YCAKZCOOJZWRNL-PHDIDXHHSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CNC1CC1 648190261 375702508 /nfs/dbraw/zinc/70/25/08/375702508.db2.gz LIMTWMXGLGTWRX-HTQZYQBOSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C1(N)CC1 648188178 375702564 /nfs/dbraw/zinc/70/25/64/375702564.db2.gz XEKXVMMPYXKUMO-BQBZGAKWSA-N 1 3 185.271 -0.280 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] 648187962 375702578 /nfs/dbraw/zinc/70/25/78/375702578.db2.gz GZBIDERNMYRYFM-FXQIFTODSA-N 1 3 187.287 -0.034 20 0 ABADHO CNCC(=O)N[C@@H](C)C[C@H](C)[NH3+] 648187872 375702590 /nfs/dbraw/zinc/70/25/90/375702590.db2.gz AHYVGDBQIIVIIZ-BQBZGAKWSA-N 1 3 173.260 -0.552 20 0 ABADHO C[C@H]([NH3+])C[C@@H](C)NC(=O)[C@@H](C)N 648187932 375702896 /nfs/dbraw/zinc/70/28/96/375702896.db2.gz DFFAQFLRCFYDEG-RRKCRQDMSA-N 1 3 173.260 -0.424 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] 648187931 375702623 /nfs/dbraw/zinc/70/26/23/375702623.db2.gz DFFAQFLRCFYDEG-QYNIQEEDSA-N 1 3 173.260 -0.424 20 0 ABADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(C)(C)N 648188032 375702670 /nfs/dbraw/zinc/70/26/70/375702670.db2.gz MPUOVBZHDYBTIB-RNFRBKRXSA-N 1 3 187.287 -0.034 20 0 ABADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](C)N 648187930 375702716 /nfs/dbraw/zinc/70/27/16/375702716.db2.gz DFFAQFLRCFYDEG-LYFYHCNISA-N 1 3 173.260 -0.424 20 0 ABADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H](C)N 648187929 375702729 /nfs/dbraw/zinc/70/27/29/375702729.db2.gz DFFAQFLRCFYDEG-FSDSQADBSA-N 1 3 173.260 -0.424 20 0 ABADHO CC[C@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] 648187963 375702775 /nfs/dbraw/zinc/70/27/75/375702775.db2.gz GZBIDERNMYRYFM-PRJMDXOYSA-N 1 3 187.287 -0.034 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] 648187961 375702785 /nfs/dbraw/zinc/70/27/85/375702785.db2.gz GZBIDERNMYRYFM-CSMHCCOUSA-N 1 3 187.287 -0.034 20 0 ABADHO CNCC(=O)N[C@H](C)C[C@@H](C)[NH3+] 648187874 375702824 /nfs/dbraw/zinc/70/28/24/375702824.db2.gz AHYVGDBQIIVIIZ-RNFRBKRXSA-N 1 3 173.260 -0.552 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] 648190203 375702844 /nfs/dbraw/zinc/70/28/44/375702844.db2.gz GZBIDERNMYRYFM-BIIVOSGPSA-N 1 3 187.287 -0.034 20 0 ABADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(N)CC1 648188180 375702852 /nfs/dbraw/zinc/70/28/52/375702852.db2.gz XEKXVMMPYXKUMO-RNFRBKRXSA-N 1 3 185.271 -0.280 20 0 ABADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CN 648188189 375702861 /nfs/dbraw/zinc/70/28/61/375702861.db2.gz YCAKZCOOJZWRNL-WDSKDSINSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@H]([NH3+])C[C@@H](C)NC(=O)CN 648188186 375702868 /nfs/dbraw/zinc/70/28/68/375702868.db2.gz YCAKZCOOJZWRNL-NTSWFWBYSA-N 1 3 159.233 -0.813 20 0 ABADHO CC[C@@H](N)C(=O)NCCC[NH2+]C1CC1 648203135 375703454 /nfs/dbraw/zinc/70/34/54/375703454.db2.gz GGGFMLNXYIGOMN-SECBINFHSA-N 1 3 199.298 -0.018 20 0 ABADHO CNCC(=O)NCCC[NH2+]C1CC1 648202513 375703916 /nfs/dbraw/zinc/70/39/16/375703916.db2.gz IPJFHESYCXGJOZ-UHFFFAOYSA-N 1 3 185.271 -0.536 20 0 ABADHO CC[C@H](N)C(=O)NCCC[NH2+]C1CC1 648202499 375703974 /nfs/dbraw/zinc/70/39/74/375703974.db2.gz GGGFMLNXYIGOMN-VIFPVBQESA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CNC1CC1 648190264 375704165 /nfs/dbraw/zinc/70/41/65/375704165.db2.gz LIMTWMXGLGTWRX-YUMQZZPRSA-N 1 3 199.298 -0.020 20 0 ABADHO NCC(=O)NCCC[NH2+]C1CC1 648202480 375704221 /nfs/dbraw/zinc/70/42/21/375704221.db2.gz AECOFRVMWUGWJV-UHFFFAOYSA-N 1 3 171.244 -0.797 20 0 ABADHO C[C@H](N)C(=O)NCCC[NH2+]C1CC1 648202506 375704244 /nfs/dbraw/zinc/70/42/44/375704244.db2.gz GXJFVBFCMOINQP-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO NCC(=O)NCc1ccc(C[NH3+])cc1 648201779 375704302 /nfs/dbraw/zinc/70/43/02/375704302.db2.gz QVPMJOZJSUCWLH-UHFFFAOYSA-N 1 3 193.250 -0.280 20 0 ABADHO [NH3+]CCC(=O)NCCN1CCCC1 35663377 409317058 /nfs/dbraw/zinc/31/70/58/409317058.db2.gz YVXWCKTVYTZOAJ-UHFFFAOYSA-N 1 3 185.271 -0.453 20 0 ABADHO [NH3+]CCCC(=O)NCCN1CCCC1 35663378 409317072 /nfs/dbraw/zinc/31/70/72/409317072.db2.gz ZPNFXPROZCQSFV-UHFFFAOYSA-N 1 3 199.298 -0.063 20 0 ABADHO C[NH2+]CC(=O)N1CCCNCC1 35738367 409317461 /nfs/dbraw/zinc/31/74/61/409317461.db2.gz KGIPQHGYQZLKMC-UHFFFAOYSA-N 1 3 171.244 -0.972 20 0 ABADHO C[NH2+]CC(=O)NCCN1CCCC1 35663366 409317662 /nfs/dbraw/zinc/31/76/62/409317662.db2.gz IMYVEUNMSKDTOE-UHFFFAOYSA-N 1 3 185.271 -0.582 20 0 ABADHO CC[C@H](N)C(=O)NCCC[NH+](C)C 36871364 409318818 /nfs/dbraw/zinc/31/88/18/409318818.db2.gz ANAHVCSUQJLSGF-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[NH+]1CCC(NCCC(N)=O)CC1 36747058 409318864 /nfs/dbraw/zinc/31/88/64/409318864.db2.gz UAOVQGOZIZOFMM-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[C@@H](N)C(=O)NCCC[NH+](C)C 36871365 409319543 /nfs/dbraw/zinc/31/95/43/409319543.db2.gz ANAHVCSUQJLSGF-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO CCC[N@H+](C)C[C@H](O)CN 37098205 409321113 /nfs/dbraw/zinc/32/11/13/409321113.db2.gz VKCPHNPTCPWBSX-SSDOTTSWSA-N 1 3 146.234 -0.352 20 0 ABADHO CCC[N@@H+](C)C[C@H](O)CN 37098205 409321117 /nfs/dbraw/zinc/32/11/17/409321117.db2.gz VKCPHNPTCPWBSX-SSDOTTSWSA-N 1 3 146.234 -0.352 20 0 ABADHO CCCN(C)C[C@H](O)C[NH3+] 37098205 409321121 /nfs/dbraw/zinc/32/11/21/409321121.db2.gz VKCPHNPTCPWBSX-SSDOTTSWSA-N 1 3 146.234 -0.352 20 0 ABADHO CNCC(=O)NCCC[NH+]1CCCC1 36984193 409321191 /nfs/dbraw/zinc/32/11/91/409321191.db2.gz ZDRAECSHHTXMIK-UHFFFAOYSA-N 1 3 199.298 -0.192 20 0 ABADHO NCC(=O)NCCC[NH+]1CCCC1 36984197 409322470 /nfs/dbraw/zinc/32/24/70/409322470.db2.gz AYFPQCNLJCBRKC-UHFFFAOYSA-N 1 3 185.271 -0.453 20 0 ABADHO CCC[N@H+](C)C[C@@H](O)CN 37098206 409322910 /nfs/dbraw/zinc/32/29/10/409322910.db2.gz VKCPHNPTCPWBSX-ZETCQYMHSA-N 1 3 146.234 -0.352 20 0 ABADHO CCC[N@@H+](C)C[C@@H](O)CN 37098206 409322913 /nfs/dbraw/zinc/32/29/13/409322913.db2.gz VKCPHNPTCPWBSX-ZETCQYMHSA-N 1 3 146.234 -0.352 20 0 ABADHO CCCN(C)C[C@@H](O)C[NH3+] 37098206 409322916 /nfs/dbraw/zinc/32/29/16/409322916.db2.gz VKCPHNPTCPWBSX-ZETCQYMHSA-N 1 3 146.234 -0.352 20 0 ABADHO CC(C)CN(C)C[C@H](O)C[NH3+] 37108341 409325216 /nfs/dbraw/zinc/32/52/16/409325216.db2.gz OZWFSJAMGAPXKZ-MRVPVSSYSA-N 1 3 160.261 -0.106 20 0 ABADHO CC(C)CN(C)C[C@@H](O)C[NH3+] 37108342 409326030 /nfs/dbraw/zinc/32/60/30/409326030.db2.gz OZWFSJAMGAPXKZ-QMMMGPOBSA-N 1 3 160.261 -0.106 20 0 ABADHO NCC(=O)NCCC[NH+]1CCCCC1 37467409 409327875 /nfs/dbraw/zinc/32/78/75/409327875.db2.gz FHLFGMRJSWDVTC-UHFFFAOYSA-N 1 3 199.298 -0.063 20 0 ABADHO C[C@@H]([NH3+])CC(=O)NCCN1CCCC1 37476235 409327898 /nfs/dbraw/zinc/32/78/98/409327898.db2.gz AQBNDPHFHNYDSY-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@H](N)C(=O)NCCC[NH+]1CCCC1 37467313 409328403 /nfs/dbraw/zinc/32/84/03/409328403.db2.gz STRMJUYWHMKXRZ-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@@H]([NH3+])CC(=O)NCCN(C)C 37475653 409328642 /nfs/dbraw/zinc/32/86/42/409328642.db2.gz SSIHFPSEPPZDPL-SSDOTTSWSA-N 1 3 173.260 -0.599 20 0 ABADHO C[C@@H](N)C(=O)NCCC[NH+]1CCCC1 37467315 409329032 /nfs/dbraw/zinc/32/90/32/409329032.db2.gz STRMJUYWHMKXRZ-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO C[NH2+]CCCC(=O)NCCN(C)C 37477482 409329163 /nfs/dbraw/zinc/32/91/63/409329163.db2.gz GAHNEPIATHTBRH-UHFFFAOYSA-N 1 3 187.287 -0.336 20 0 ABADHO C[C@H]([NH3+])CC(=O)NCCN1CCCC1 37476234 409329483 /nfs/dbraw/zinc/32/94/83/409329483.db2.gz AQBNDPHFHNYDSY-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@H]([NH3+])CC(=O)NCCN(C)C 37475652 409329658 /nfs/dbraw/zinc/32/96/58/409329658.db2.gz SSIHFPSEPPZDPL-ZETCQYMHSA-N 1 3 173.260 -0.599 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 37484921 409330773 /nfs/dbraw/zinc/33/07/73/409330773.db2.gz CJRFEILDZKDPAL-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 37484921 409330779 /nfs/dbraw/zinc/33/07/79/409330779.db2.gz CJRFEILDZKDPAL-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 37484920 409331130 /nfs/dbraw/zinc/33/11/30/409331130.db2.gz CJRFEILDZKDPAL-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 37484920 409331135 /nfs/dbraw/zinc/33/11/35/409331135.db2.gz CJRFEILDZKDPAL-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 37484922 409331434 /nfs/dbraw/zinc/33/14/34/409331434.db2.gz CJRFEILDZKDPAL-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 37484922 409331437 /nfs/dbraw/zinc/33/14/37/409331437.db2.gz CJRFEILDZKDPAL-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 37484923 409331510 /nfs/dbraw/zinc/33/15/10/409331510.db2.gz CJRFEILDZKDPAL-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 37484923 409331515 /nfs/dbraw/zinc/33/15/15/409331515.db2.gz CJRFEILDZKDPAL-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[N@@H+]1CC[C@@H](CNC(=O)CNC)C1 37484141 409331642 /nfs/dbraw/zinc/33/16/42/409331642.db2.gz PGRJNPSXIYMWDZ-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO CC[N@H+]1CC[C@@H](CNC(=O)CNC)C1 37484141 409331645 /nfs/dbraw/zinc/33/16/45/409331645.db2.gz PGRJNPSXIYMWDZ-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO CN(C)CCNC(=O)C[NH2+]CC1CC1 37478044 409331688 /nfs/dbraw/zinc/33/16/88/409331688.db2.gz JZPDSXOURKVAEC-UHFFFAOYSA-N 1 3 199.298 -0.336 20 0 ABADHO C[NH2+]CCCC(=O)N1CCCNCC1 37477733 409331694 /nfs/dbraw/zinc/33/16/94/409331694.db2.gz MCRZRVUULBEOEH-UHFFFAOYSA-N 1 3 199.298 -0.192 20 0 ABADHO CC[N@@H+]1CC[C@H](CNC(=O)CNC)C1 37484140 409332456 /nfs/dbraw/zinc/33/24/56/409332456.db2.gz PGRJNPSXIYMWDZ-SECBINFHSA-N 1 3 199.298 -0.336 20 0 ABADHO CC[N@H+]1CC[C@H](CNC(=O)CNC)C1 37484140 409332461 /nfs/dbraw/zinc/33/24/61/409332461.db2.gz PGRJNPSXIYMWDZ-SECBINFHSA-N 1 3 199.298 -0.336 20 0 ABADHO C[C@@H](CNC(=O)CNC1CC1)[NH+](C)C 38089334 409338442 /nfs/dbraw/zinc/33/84/42/409338442.db2.gz LECXFFNENFXIBL-QMMMGPOBSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@@H](CNC(=O)C[C@@H](C)[NH3+])N(C)C 38089333 409338592 /nfs/dbraw/zinc/33/85/92/409338592.db2.gz JKVUNLFMYFWKDG-SFYZADRCSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@H](CNC(=O)CCC[NH3+])N(C)C 38089231 409338610 /nfs/dbraw/zinc/33/86/10/409338610.db2.gz GSGIGHYGMJQUFR-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO C[C@@H](CNC(=O)CCC[NH3+])N(C)C 38089230 409338965 /nfs/dbraw/zinc/33/89/65/409338965.db2.gz GSGIGHYGMJQUFR-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO C[C@H](CNC(=O)CN)[NH+](C)C 38089221 409339028 /nfs/dbraw/zinc/33/90/28/409339028.db2.gz ZSJDWYMOPDXYOP-ZCFIWIBFSA-N 1 3 159.233 -0.989 20 0 ABADHO C[NH2+]CC(=O)NC[C@H](C)N(C)C 38089254 409339297 /nfs/dbraw/zinc/33/92/97/409339297.db2.gz JYYKWTJAAGGRKK-ZETCQYMHSA-N 1 3 173.260 -0.728 20 0 ABADHO CNCC(=O)NC[C@H](C)[NH+](C)C 38089254 409339301 /nfs/dbraw/zinc/33/93/01/409339301.db2.gz JYYKWTJAAGGRKK-ZETCQYMHSA-N 1 3 173.260 -0.728 20 0 ABADHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)N(C)C 37985557 409339458 /nfs/dbraw/zinc/33/94/58/409339458.db2.gz VBXSWHLGASYKJX-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@H]([NH3+])CC(=O)NC[C@@H](C)N(C)C 38089330 409339544 /nfs/dbraw/zinc/33/95/44/409339544.db2.gz JKVUNLFMYFWKDG-JGVFFNPUSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@H](CNC(=O)CC[NH3+])N(C)C 38089233 409339962 /nfs/dbraw/zinc/33/99/62/409339962.db2.gz ACFGRFSEMIEMHU-SSDOTTSWSA-N 1 3 173.260 -0.599 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C 38089251 409340125 /nfs/dbraw/zinc/34/01/25/409340125.db2.gz QDXZSYBYKYFTID-RQJHMYQMSA-N 1 3 173.260 -0.600 20 0 ABADHO C[C@H]([NH3+])CC(=O)NC[C@H](C)N(C)C 38089332 409340139 /nfs/dbraw/zinc/34/01/39/409340139.db2.gz JKVUNLFMYFWKDG-YUMQZZPRSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C 38089322 409340185 /nfs/dbraw/zinc/34/01/85/409340185.db2.gz OJTZAEQAHNKPPW-SFYZADRCSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@@H]([NH3+])CC(=O)NC[C@@H](C)N(C)C 38089331 409340221 /nfs/dbraw/zinc/34/02/21/409340221.db2.gz JKVUNLFMYFWKDG-HTQZYQBOSA-N 1 3 187.287 -0.210 20 0 ABADHO C[NH2+]CC(=O)NC[C@@H](C)N(C)C 38089255 409340471 /nfs/dbraw/zinc/34/04/71/409340471.db2.gz JYYKWTJAAGGRKK-SSDOTTSWSA-N 1 3 173.260 -0.728 20 0 ABADHO CNCC(=O)NC[C@@H](C)[NH+](C)C 38089255 409340473 /nfs/dbraw/zinc/34/04/73/409340473.db2.gz JYYKWTJAAGGRKK-SSDOTTSWSA-N 1 3 173.260 -0.728 20 0 ABADHO C[C@@H](CNC(=O)CC[NH3+])N(C)C 38089232 409340498 /nfs/dbraw/zinc/34/04/98/409340498.db2.gz ACFGRFSEMIEMHU-ZETCQYMHSA-N 1 3 173.260 -0.599 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C 38089323 409340668 /nfs/dbraw/zinc/34/06/68/409340668.db2.gz OJTZAEQAHNKPPW-HTQZYQBOSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@H](CNC(=O)CNC1CC1)[NH+](C)C 38089335 409340741 /nfs/dbraw/zinc/34/07/41/409340741.db2.gz LECXFFNENFXIBL-MRVPVSSYSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H](C)[NH+](C)C 38089324 409340773 /nfs/dbraw/zinc/34/07/73/409340773.db2.gz OJTZAEQAHNKPPW-YUMQZZPRSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C 38089325 409340780 /nfs/dbraw/zinc/34/07/80/409340780.db2.gz OJTZAEQAHNKPPW-JGVFFNPUSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)N(C)C 37985555 409340800 /nfs/dbraw/zinc/34/08/00/409340800.db2.gz VBXSWHLGASYKJX-BDAKNGLRSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@H](N)C(=O)NC[C@H](C)[NH+](C)C 38089250 409340882 /nfs/dbraw/zinc/34/08/82/409340882.db2.gz QDXZSYBYKYFTID-BQBZGAKWSA-N 1 3 173.260 -0.600 20 0 ABADHO CCCN(C)CC(=O)NCC[NH3+] 40605574 409342967 /nfs/dbraw/zinc/34/29/67/409342967.db2.gz GJPQHMODBWSUFU-UHFFFAOYSA-N 1 3 173.260 -0.597 20 0 ABADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)CN)C1 40624333 409343161 /nfs/dbraw/zinc/34/31/61/409343161.db2.gz XQXVSQZDJPDGFC-SECBINFHSA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)[N@H+]1CC[C@H](CNC(=O)CN)C1 40624333 409343165 /nfs/dbraw/zinc/34/31/65/409343165.db2.gz XQXVSQZDJPDGFC-SECBINFHSA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CN)C1 40624336 409343669 /nfs/dbraw/zinc/34/36/69/409343669.db2.gz XQXVSQZDJPDGFC-VIFPVBQESA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)CN)C1 40624336 409343670 /nfs/dbraw/zinc/34/36/70/409343670.db2.gz XQXVSQZDJPDGFC-VIFPVBQESA-N 1 3 199.298 -0.208 20 0 ABADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N)C1 40457678 409344463 /nfs/dbraw/zinc/34/44/63/409344463.db2.gz MTFQFKGAWQJLCP-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N)C1 40457678 409344465 /nfs/dbraw/zinc/34/44/65/409344465.db2.gz MTFQFKGAWQJLCP-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N)C1 40457679 409344480 /nfs/dbraw/zinc/34/44/80/409344480.db2.gz MTFQFKGAWQJLCP-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N)C1 40457679 409344482 /nfs/dbraw/zinc/34/44/82/409344482.db2.gz MTFQFKGAWQJLCP-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H](CNC(=O)C(C)(C)N)[NH+](C)C 40924345 409346311 /nfs/dbraw/zinc/34/63/11/409346311.db2.gz COUICIIVEPGHDT-SSDOTTSWSA-N 1 3 187.287 -0.210 20 0 ABADHO CCC[NH+]1CCC(NC(=O)CN)CC1 40829673 409346437 /nfs/dbraw/zinc/34/64/37/409346437.db2.gz KBSAEMGVIAODFA-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CC(C)[C@@H](N)C(=O)NCC[NH3+] 40832321 409346731 /nfs/dbraw/zinc/34/67/31/409346731.db2.gz BJIFQAPRKWAJES-ZCFIWIBFSA-N 1 3 159.233 -0.955 20 0 ABADHO CC(C)([NH3+])C(=O)NCCN1CCCC1 40920681 409347571 /nfs/dbraw/zinc/34/75/71/409347571.db2.gz ULPFOUFAUDXXSQ-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CNCC(=O)NCC(C)(C)[NH+](C)C 40807176 409347621 /nfs/dbraw/zinc/34/76/21/409347621.db2.gz XVMUSNVOOGFYGR-UHFFFAOYSA-N 1 3 187.287 -0.338 20 0 ABADHO C[C@H](N)C(=O)NCC(C)(C)[NH+](C)C 40807172 409347922 /nfs/dbraw/zinc/34/79/22/409347922.db2.gz JNXYORLOVJETEY-ZETCQYMHSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)NCC[NH3+] 41043477 409348001 /nfs/dbraw/zinc/34/80/01/409348001.db2.gz YTCHXFDKCJQIAQ-RQJHMYQMSA-N 1 3 173.260 -0.565 20 0 ABADHO C[C@H](N)C(=O)NCCCC[NH+](C)C 41679570 409348988 /nfs/dbraw/zinc/34/89/88/409348988.db2.gz MGUPSPDRYFXABL-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO CN(C)CCNC(=O)C[C@@H]1CCC[NH2+]1 42165329 409349574 /nfs/dbraw/zinc/34/95/74/409349574.db2.gz UJWKZBYBGAPQSV-VIFPVBQESA-N 1 3 199.298 -0.194 20 0 ABADHO CNCC(=O)NCCCC[NH+](C)C 41679604 409350005 /nfs/dbraw/zinc/35/00/05/409350005.db2.gz CBNWVVDPOWJYER-UHFFFAOYSA-N 1 3 187.287 -0.336 20 0 ABADHO CCCN(CC[NH+](C)C)C(=O)CN 41680240 409350161 /nfs/dbraw/zinc/35/01/61/409350161.db2.gz DPFCFDKRTRVHQE-UHFFFAOYSA-N 1 3 187.287 -0.255 20 0 ABADHO CN(C)CCNC(=O)C[C@H]1CCC[NH2+]1 42165330 409350794 /nfs/dbraw/zinc/35/07/94/409350794.db2.gz UJWKZBYBGAPQSV-SECBINFHSA-N 1 3 199.298 -0.194 20 0 ABADHO CN(CC(N)=O)CC1CC[NH2+]CC1 43497631 409352790 /nfs/dbraw/zinc/35/27/90/409352790.db2.gz NRHDALQSHJJFBA-UHFFFAOYSA-N 1 3 185.271 -0.597 20 0 ABADHO [NH3+]CCOCCN1CCC[C@H](O)C1 652353516 409353257 /nfs/dbraw/zinc/35/32/57/409353257.db2.gz NIZWWVQAYOOEJU-VIFPVBQESA-N 1 3 188.271 -0.582 20 0 ABADHO [NH3+]CCOCCN1CCC[C@@H](O)C1 652353515 409353306 /nfs/dbraw/zinc/35/33/06/409353306.db2.gz NIZWWVQAYOOEJU-SECBINFHSA-N 1 3 188.271 -0.582 20 0 ABADHO CNCC(=O)NCC1CC[NH+](C)CC1 44526666 409355447 /nfs/dbraw/zinc/35/54/47/409355447.db2.gz ABGDOLPVKSBFFY-UHFFFAOYSA-N 1 3 199.298 -0.336 20 0 ABADHO CNCC(=O)NC[C@@H]1CCC[N@H+](C)C1 44538904 409355606 /nfs/dbraw/zinc/35/56/06/409355606.db2.gz PQGFBSLPMJAEBU-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO CNCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 44538904 409355613 /nfs/dbraw/zinc/35/56/13/409355613.db2.gz PQGFBSLPMJAEBU-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO C[NH2+]CCC(=O)NC[C@@H](C)N(C)C 43605491 409356129 /nfs/dbraw/zinc/35/61/29/409356129.db2.gz NRJQEJXNFBDKHX-MRVPVSSYSA-N 1 3 187.287 -0.338 20 0 ABADHO C[NH2+]CCC(=O)N1CCCNCC1 43600076 409356427 /nfs/dbraw/zinc/35/64/27/409356427.db2.gz XONGWGIZBBVHFB-UHFFFAOYSA-N 1 3 185.271 -0.582 20 0 ABADHO C[NH2+]CCC(=O)NC[C@H](C)N(C)C 43605490 409357668 /nfs/dbraw/zinc/35/76/68/409357668.db2.gz NRJQEJXNFBDKHX-QMMMGPOBSA-N 1 3 187.287 -0.338 20 0 ABADHO C[NH2+]CCC(=O)NCCN1CCCC1 43600052 409357686 /nfs/dbraw/zinc/35/76/86/409357686.db2.gz DKZLWSRKBCHSEK-UHFFFAOYSA-N 1 3 199.298 -0.192 20 0 ABADHO CNCC(=O)NC[C@H]1CCC[N@H+](C)C1 44538906 409357895 /nfs/dbraw/zinc/35/78/95/409357895.db2.gz PQGFBSLPMJAEBU-SECBINFHSA-N 1 3 199.298 -0.336 20 0 ABADHO CNCC(=O)NC[C@H]1CCC[N@@H+](C)C1 44538906 409357899 /nfs/dbraw/zinc/35/78/99/409357899.db2.gz PQGFBSLPMJAEBU-SECBINFHSA-N 1 3 199.298 -0.336 20 0 ABADHO C[C@H](C[NH3+])C(=O)NCCN(C)C 44795935 409359312 /nfs/dbraw/zinc/35/93/12/409359312.db2.gz WCHPUHLZWOWPIX-SSDOTTSWSA-N 1 3 173.260 -0.741 20 0 ABADHO CN(C)CCNC(=O)C(C)(C)C[NH3+] 44751238 409360009 /nfs/dbraw/zinc/36/00/09/409360009.db2.gz INTTYVMDPGHCOY-UHFFFAOYSA-N 1 3 187.287 -0.351 20 0 ABADHO C[C@H]1CCCN(C(=O)CN)[C@H]1CC[NH3+] 653232887 409365298 /nfs/dbraw/zinc/36/52/98/409365298.db2.gz LKUXLDNVFAUHKL-IUCAKERBSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@@H]1CCCN(C(=O)CN)[C@@H]1CC[NH3+] 653232888 409365264 /nfs/dbraw/zinc/36/52/64/409365264.db2.gz LKUXLDNVFAUHKL-RKDXNWHRSA-N 1 3 199.298 -0.079 20 0 ABADHO CNCC(=O)NCCC1CC[NH2+]CC1 653267484 409365426 /nfs/dbraw/zinc/36/54/26/409365426.db2.gz QRKRMZAFTFNUEZ-UHFFFAOYSA-N 1 3 199.298 -0.288 20 0 ABADHO C[C@@H](N)C(=O)NCCC1CC[NH2+]CC1 653266523 409365562 /nfs/dbraw/zinc/36/55/62/409365562.db2.gz BAKLRCMZBYKKBU-MRVPVSSYSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@H]1CCCN(C(=O)CN)[C@@H]1CC[NH3+] 653232886 409365771 /nfs/dbraw/zinc/36/57/71/409365771.db2.gz LKUXLDNVFAUHKL-DTWKUNHWSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@@H](N)C(=O)N1CCC(CC[NH3+])CC1 653257329 409365898 /nfs/dbraw/zinc/36/58/98/409365898.db2.gz JCPXDUDEFYMTDP-MRVPVSSYSA-N 1 3 199.298 -0.079 20 0 ABADHO NCC(=O)NCCC1CC[NH2+]CC1 653267076 409366060 /nfs/dbraw/zinc/36/60/60/409366060.db2.gz KQCDIOQFMHPOIB-UHFFFAOYSA-N 1 3 185.271 -0.549 20 0 ABADHO C[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 653257330 409366246 /nfs/dbraw/zinc/36/62/46/409366246.db2.gz JCPXDUDEFYMTDP-QMMMGPOBSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@H](N)C(=O)NCCC1CC[NH2+]CC1 653266524 409366271 /nfs/dbraw/zinc/36/62/71/409366271.db2.gz BAKLRCMZBYKKBU-QMMMGPOBSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@H](C[NH3+])C(=O)NC[C@@H](C)N(C)C 45108036 409366574 /nfs/dbraw/zinc/36/65/74/409366574.db2.gz GRRNOHMSKVJZSA-HTQZYQBOSA-N 1 3 187.287 -0.353 20 0 ABADHO CNCC(=O)N1CCC(CC[NH3+])CC1 653257344 409366589 /nfs/dbraw/zinc/36/65/89/409366589.db2.gz OALUIIVEWFEXBA-UHFFFAOYSA-N 1 3 199.298 -0.207 20 0 ABADHO C[C@@H]1CCCN(C(=O)CN)[C@H]1CC[NH3+] 653232885 409366962 /nfs/dbraw/zinc/36/69/62/409366962.db2.gz LKUXLDNVFAUHKL-BDAKNGLRSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)N 49559672 409372174 /nfs/dbraw/zinc/37/21/74/409372174.db2.gz CADCJHXILRDRHB-YUMQZZPRSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@H](CC[NH+](C)C)NC(=O)CN 49559630 409372302 /nfs/dbraw/zinc/37/23/02/409372302.db2.gz LZPMFRYMPJPWLP-SSDOTTSWSA-N 1 3 173.260 -0.599 20 0 ABADHO CNCC(=O)N[C@H](C)CC[NH+](C)C 49559675 409373154 /nfs/dbraw/zinc/37/31/54/409373154.db2.gz QUMUOQFCAQBNFF-MRVPVSSYSA-N 1 3 187.287 -0.338 20 0 ABADHO CNCC(=O)N[C@@H](C)CC[NH+](C)C 49559674 409373291 /nfs/dbraw/zinc/37/32/91/409373291.db2.gz QUMUOQFCAQBNFF-QMMMGPOBSA-N 1 3 187.287 -0.338 20 0 ABADHO C[NH2+]CC(=O)NCCN1CCCCC1 49575494 409374471 /nfs/dbraw/zinc/37/44/71/409374471.db2.gz QIBCYJIPIZNDEN-UHFFFAOYSA-N 1 3 199.298 -0.192 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C 49559673 409374570 /nfs/dbraw/zinc/37/45/70/409374570.db2.gz CADCJHXILRDRHB-SFYZADRCSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@@H](C[NH3+])C(=O)NCCN1CCCC1 54129061 409389467 /nfs/dbraw/zinc/38/94/67/409389467.db2.gz DZMBYAIQOLSCLY-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO CC(C)[N@H+](C)CCNC(=O)[C@H](C)N 54133420 409389611 /nfs/dbraw/zinc/38/96/11/409389611.db2.gz WXNLIJMPLYFECE-QMMMGPOBSA-N 1 3 187.287 -0.210 20 0 ABADHO CC(C)[N@@H+](C)CCNC(=O)[C@H](C)N 54133420 409389615 /nfs/dbraw/zinc/38/96/15/409389615.db2.gz WXNLIJMPLYFECE-QMMMGPOBSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@H](C[NH3+])C(=O)NCCN1CCCC1 54129065 409389817 /nfs/dbraw/zinc/38/98/17/409389817.db2.gz DZMBYAIQOLSCLY-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO CC(C)[N@H+](C)CCNC(=O)CN 54133454 409390078 /nfs/dbraw/zinc/39/00/78/409390078.db2.gz YXVNCDRGIIGROF-UHFFFAOYSA-N 1 3 173.260 -0.599 20 0 ABADHO CC(C)[N@@H+](C)CCNC(=O)CN 54133454 409390083 /nfs/dbraw/zinc/39/00/83/409390083.db2.gz YXVNCDRGIIGROF-UHFFFAOYSA-N 1 3 173.260 -0.599 20 0 ABADHO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)N 54133450 409390581 /nfs/dbraw/zinc/39/05/81/409390581.db2.gz WXNLIJMPLYFECE-MRVPVSSYSA-N 1 3 187.287 -0.210 20 0 ABADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)N 54133450 409390584 /nfs/dbraw/zinc/39/05/84/409390584.db2.gz WXNLIJMPLYFECE-MRVPVSSYSA-N 1 3 187.287 -0.210 20 0 ABADHO CNCC(=O)NCC[N@H+](C)C(C)C 54133569 409390788 /nfs/dbraw/zinc/39/07/88/409390788.db2.gz ODVQZIBTCFTEBF-UHFFFAOYSA-N 1 3 187.287 -0.338 20 0 ABADHO CNCC(=O)NCC[N@@H+](C)C(C)C 54133569 409390792 /nfs/dbraw/zinc/39/07/92/409390792.db2.gz ODVQZIBTCFTEBF-UHFFFAOYSA-N 1 3 187.287 -0.338 20 0 ABADHO C[C@H](C[NH3+])C(=O)N1CCCNCC1 54337909 409392315 /nfs/dbraw/zinc/39/23/15/409392315.db2.gz ZLLLZCHJLYSCJF-MRVPVSSYSA-N 1 3 185.271 -0.597 20 0 ABADHO CN(C)CCNC(=O)[C@]1(C)CC[NH2+]C1 62887313 409401645 /nfs/dbraw/zinc/40/16/45/409401645.db2.gz OIXGJQSFCIALIO-SNVBAGLBSA-N 1 3 199.298 -0.336 20 0 ABADHO CN(C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 62887312 409402237 /nfs/dbraw/zinc/40/22/37/409402237.db2.gz OIXGJQSFCIALIO-JTQLQIEISA-N 1 3 199.298 -0.336 20 0 ABADHO CC[NH+](CC)[C@@H]1CCN(C(=O)CN)C1 62972607 409404490 /nfs/dbraw/zinc/40/44/90/409404490.db2.gz LSMAUJARVJQWJH-SECBINFHSA-N 1 3 199.298 -0.112 20 0 ABADHO CC[NH+](CC)[C@H]1CCN(C(=O)CN)C1 62972608 409404567 /nfs/dbraw/zinc/40/45/67/409404567.db2.gz LSMAUJARVJQWJH-VIFPVBQESA-N 1 3 199.298 -0.112 20 0 ABADHO C[NH2+]CC1CCN([C@H](C)C(N)=O)CC1 63166193 409406346 /nfs/dbraw/zinc/40/63/46/409406346.db2.gz YQVYJSPANJOVRM-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[NH2+]CCCNC(=O)[C@H](C)NC 655413370 409406593 /nfs/dbraw/zinc/40/65/93/409406593.db2.gz WHSVOZOHBHUFCK-QMMMGPOBSA-N 1 3 187.287 -0.290 20 0 ABADHO CN[C@@H](C)C(=O)N(C)[C@H](C)C[NH3+] 655415164 409406644 /nfs/dbraw/zinc/40/66/44/409406644.db2.gz JUZBHOXODVKLBF-RQJHMYQMSA-N 1 3 173.260 -0.600 20 0 ABADHO CN[C@@H](C)C(=O)N1CC[C@@H]([NH2+]C)C1 655412227 409406697 /nfs/dbraw/zinc/40/66/97/409406697.db2.gz ORWDJFARSQTPEA-JGVFFNPUSA-N 1 3 185.271 -0.585 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 655413246 409406730 /nfs/dbraw/zinc/40/67/30/409406730.db2.gz QPDCMGOIKIVMEQ-BQBZGAKWSA-N 1 3 171.244 -0.928 20 0 ABADHO CN[C@@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 655415373 409406839 /nfs/dbraw/zinc/40/68/39/409406839.db2.gz LZCDKEBZBKDLOJ-OIBJUYFYSA-N 1 3 199.298 -0.162 20 0 ABADHO CN[C@@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 655415468 409406867 /nfs/dbraw/zinc/40/68/67/409406867.db2.gz OBEBYBDCOXLLHO-JGVFFNPUSA-N 1 3 185.271 -0.585 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 655411523 409406885 /nfs/dbraw/zinc/40/68/85/409406885.db2.gz VELZWYMMCVCYOP-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 655413700 409406914 /nfs/dbraw/zinc/40/69/14/409406914.db2.gz GDWZJODGZAJPRN-DTWKUNHWSA-N 1 3 199.298 -0.147 20 0 ABADHO CN[C@@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 655414087 409406937 /nfs/dbraw/zinc/40/69/37/409406937.db2.gz GDEDWMSUQSUFFG-DTWKUNHWSA-N 1 3 199.298 -0.290 20 0 ABADHO CN[C@@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 655414088 409406963 /nfs/dbraw/zinc/40/69/63/409406963.db2.gz GDEDWMSUQSUFFG-IUCAKERBSA-N 1 3 199.298 -0.290 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 655412391 409407002 /nfs/dbraw/zinc/40/70/02/409407002.db2.gz RHFYHZHTUKZMER-JGVFFNPUSA-N 1 3 185.271 -0.538 20 0 ABADHO CN[C@@H](C)C(=O)NCC1CC[NH2+]CC1 655411697 409407071 /nfs/dbraw/zinc/40/70/71/409407071.db2.gz HJMJXCAGTVJNGT-QMMMGPOBSA-N 1 3 199.298 -0.290 20 0 ABADHO C[NH2+]CC1CCN([C@@H](C)C(N)=O)CC1 63166192 409407267 /nfs/dbraw/zinc/40/72/67/409407267.db2.gz YQVYJSPANJOVRM-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO CN[C@@H](C)C(=O)N(C)[C@@H](C)C[NH3+] 655415157 409407274 /nfs/dbraw/zinc/40/72/74/409407274.db2.gz JUZBHOXODVKLBF-BQBZGAKWSA-N 1 3 173.260 -0.600 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 655415020 409407281 /nfs/dbraw/zinc/40/72/81/409407281.db2.gz SWROURRYCYKKGE-IUCAKERBSA-N 1 3 199.298 -0.290 20 0 ABADHO CN[C@@H](C)C(=O)N(C)C1CC[NH2+]CC1 655413255 409407442 /nfs/dbraw/zinc/40/74/42/409407442.db2.gz QWYFYVJANYKHGY-QMMMGPOBSA-N 1 3 199.298 -0.195 20 0 ABADHO CN[C@@H](C)C(=O)NCCC[NH2+]C 655413100 409407465 /nfs/dbraw/zinc/40/74/65/409407465.db2.gz KMNHJEUSIIVNKY-ZETCQYMHSA-N 1 3 173.260 -0.680 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 655411519 409407479 /nfs/dbraw/zinc/40/74/79/409407479.db2.gz VELZWYMMCVCYOP-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO CN[C@@H](C)C(=O)NC1(C[NH3+])CCCC1 655415074 409407489 /nfs/dbraw/zinc/40/74/89/409407489.db2.gz HYQSCPHEDJBKAW-QMMMGPOBSA-N 1 3 199.298 -0.018 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC(C[NH3+])CC1 655411993 409407520 /nfs/dbraw/zinc/40/75/20/409407520.db2.gz LDSUDWGMPXYJSF-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO CN[C@@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 655415470 409407600 /nfs/dbraw/zinc/40/76/00/409407600.db2.gz OBEBYBDCOXLLHO-YUMQZZPRSA-N 1 3 185.271 -0.585 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 655413701 409407611 /nfs/dbraw/zinc/40/76/11/409407611.db2.gz GDWZJODGZAJPRN-IUCAKERBSA-N 1 3 199.298 -0.147 20 0 ABADHO CN[C@@H](C)C(=O)N1CCCC[C@H]1C[NH3+] 655414169 409407637 /nfs/dbraw/zinc/40/76/37/409407637.db2.gz NQWACNNWSPGLKW-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CN[C@@H](C)C(=O)N1CC[C@H]([NH2+]C)C1 655412229 409407644 /nfs/dbraw/zinc/40/76/44/409407644.db2.gz ORWDJFARSQTPEA-YUMQZZPRSA-N 1 3 185.271 -0.585 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 655415375 409407668 /nfs/dbraw/zinc/40/76/68/409407668.db2.gz LZCDKEBZBKDLOJ-XVKPBYJWSA-N 1 3 199.298 -0.162 20 0 ABADHO CN[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] 655414168 409407673 /nfs/dbraw/zinc/40/76/73/409407673.db2.gz NQWACNNWSPGLKW-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CCC[NH2+]C1 655412393 409407687 /nfs/dbraw/zinc/40/76/87/409407687.db2.gz RHFYHZHTUKZMER-YUMQZZPRSA-N 1 3 185.271 -0.538 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1C[C@H](C)N[C@H](C)C1 655414688 409407693 /nfs/dbraw/zinc/40/76/93/409407693.db2.gz CANKVGFRXOJTLW-YIZRAAEISA-N 1 3 199.298 -0.197 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 655415019 409407704 /nfs/dbraw/zinc/40/77/04/409407704.db2.gz SWROURRYCYKKGE-DTWKUNHWSA-N 1 3 199.298 -0.290 20 0 ABADHO CN[C@@H](C)C(=O)NC(C)(C)C[NH3+] 655413947 409407750 /nfs/dbraw/zinc/40/77/50/409407750.db2.gz ALGHEJAAKUEEGD-LURJTMIESA-N 1 3 173.260 -0.552 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]C 655417817 409408663 /nfs/dbraw/zinc/40/86/63/409408663.db2.gz RUUXNAHZKLPVFJ-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]1 655415800 409408754 /nfs/dbraw/zinc/40/87/54/409408754.db2.gz HMNGNIVPRAUPPJ-JGVFFNPUSA-N 1 3 185.271 -0.538 20 0 ABADHO CN[C@@H](C)C(=O)NCC[NH2+]C1CC1 655416539 409408772 /nfs/dbraw/zinc/40/87/72/409408772.db2.gz XQFLAQYPBFFIRV-ZETCQYMHSA-N 1 3 185.271 -0.538 20 0 ABADHO CCC[NH2+]CCNC(=O)[C@H](C)NC 655450081 409408788 /nfs/dbraw/zinc/40/87/88/409408788.db2.gz CFNCUHIIPOOQRM-QMMMGPOBSA-N 1 3 187.287 -0.290 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H](C)CC[NH3+] 655451631 409408848 /nfs/dbraw/zinc/40/88/48/409408848.db2.gz MWYTXYBMRAFBSQ-BQBZGAKWSA-N 1 3 173.260 -0.552 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@@H]([NH3+])C(C)C 655416757 409408922 /nfs/dbraw/zinc/40/89/22/409408922.db2.gz AFSWBBQIJZAXKG-JGVFFNPUSA-N 1 3 187.287 -0.306 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 655417130 409408976 /nfs/dbraw/zinc/40/89/76/409408976.db2.gz GVVISXHCCWWGBM-XPUUQOCRSA-N 1 3 185.271 -0.552 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@H](C)C[NH3+] 655450636 409409068 /nfs/dbraw/zinc/40/90/68/409409068.db2.gz VOIGYQJFGKXVIQ-RQJHMYQMSA-N 1 3 173.260 -0.695 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 655416255 409409120 /nfs/dbraw/zinc/40/91/20/409409120.db2.gz NBPBVFZZEHNTFN-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H](C[NH3+])C1CC1 655417128 409409146 /nfs/dbraw/zinc/40/91/46/409409146.db2.gz GVVISXHCCWWGBM-POYBYMJQSA-N 1 3 185.271 -0.552 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1CCNCC1(C)C 655417841 409409307 /nfs/dbraw/zinc/40/93/07/409409307.db2.gz SDGUPZIQBKUFSI-QMMMGPOBSA-N 1 3 199.298 -0.195 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 655415802 409409318 /nfs/dbraw/zinc/40/93/18/409409318.db2.gz HMNGNIVPRAUPPJ-YUMQZZPRSA-N 1 3 185.271 -0.538 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] 655417670 409409356 /nfs/dbraw/zinc/40/93/56/409409356.db2.gz PQTPXWKBEGKDKC-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@H]([NH3+])C(C)C 655416759 409409467 /nfs/dbraw/zinc/40/94/67/409409467.db2.gz AFSWBBQIJZAXKG-YUMQZZPRSA-N 1 3 187.287 -0.306 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C 655417816 409409500 /nfs/dbraw/zinc/40/95/00/409409500.db2.gz RUUXNAHZKLPVFJ-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@@H]([NH3+])C1CC1 655451571 409409611 /nfs/dbraw/zinc/40/96/11/409409611.db2.gz KSQQYHABZHLDCD-POYBYMJQSA-N 1 3 185.271 -0.552 20 0 ABADHO CN[C@@H](C)C(=O)N(C)CCC[NH3+] 655417321 409409621 /nfs/dbraw/zinc/40/96/21/409409621.db2.gz HPGITUDZPXIEKM-ZETCQYMHSA-N 1 3 173.260 -0.599 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@@H](C)C[NH3+] 655450633 409409660 /nfs/dbraw/zinc/40/96/60/409409660.db2.gz VOIGYQJFGKXVIQ-BQBZGAKWSA-N 1 3 173.260 -0.695 20 0 ABADHO CN[C@@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 655416256 409409737 /nfs/dbraw/zinc/40/97/37/409409737.db2.gz NBPBVFZZEHNTFN-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H](C)CC[NH3+] 655451634 409409746 /nfs/dbraw/zinc/40/97/46/409409746.db2.gz MWYTXYBMRAFBSQ-RQJHMYQMSA-N 1 3 173.260 -0.552 20 0 ABADHO CNC(=O)CN1CCC[C@@H](CC[NH3+])C1 69626553 409409765 /nfs/dbraw/zinc/40/97/65/409409765.db2.gz QFJLAUNGQJXMNQ-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO C[C@@H](C(N)=O)N1CCC[C@H](CC[NH3+])C1 69626359 409409788 /nfs/dbraw/zinc/40/97/88/409409788.db2.gz HZMLAOURMUMWTE-DTWKUNHWSA-N 1 3 199.298 -0.079 20 0 ABADHO CN[C@@H](C)C(=O)N1CC[C@H]([NH3+])C1 655416394 409409808 /nfs/dbraw/zinc/40/98/08/409409808.db2.gz RUXYQFDTBGQVRQ-BQBZGAKWSA-N 1 3 171.244 -0.846 20 0 ABADHO CN[C@@H](C)C(=O)NCC(C)(C)[NH3+] 655416995 409409913 /nfs/dbraw/zinc/40/99/13/409409913.db2.gz CYPJARZXQBBGMC-LURJTMIESA-N 1 3 173.260 -0.552 20 0 ABADHO NC(=O)CN1CCC[C@@H](CC[NH3+])C1 69626477 409409948 /nfs/dbraw/zinc/40/99/48/409409948.db2.gz NSLWEDPYFMQSOT-QMMMGPOBSA-N 1 3 185.271 -0.468 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@H]([NH3+])C1CC1 655451573 409409981 /nfs/dbraw/zinc/40/99/81/409409981.db2.gz KSQQYHABZHLDCD-XPUUQOCRSA-N 1 3 185.271 -0.552 20 0 ABADHO CN[C@@H](C)C(=O)NCC1([NH3+])CCC1 655453158 409410009 /nfs/dbraw/zinc/41/00/09/409410009.db2.gz SFZXNWBWRYZRBJ-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H](C(N)=O)N1CCC[C@H](CC[NH3+])C1 69626362 409410189 /nfs/dbraw/zinc/41/01/89/409410189.db2.gz HZMLAOURMUMWTE-RKDXNWHRSA-N 1 3 199.298 -0.079 20 0 ABADHO CNC(=O)CN1CCC[C@H](CC[NH3+])C1 69626550 409410285 /nfs/dbraw/zinc/41/02/85/409410285.db2.gz QFJLAUNGQJXMNQ-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO NC(=O)CN1CCC[C@H](CC[NH3+])C1 69626475 409410301 /nfs/dbraw/zinc/41/03/01/409410301.db2.gz NSLWEDPYFMQSOT-MRVPVSSYSA-N 1 3 185.271 -0.468 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 655459369 409410500 /nfs/dbraw/zinc/41/05/00/409410500.db2.gz GBXHVSDIWXXHCJ-XHNCKOQMSA-N 1 3 197.282 -0.728 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] 655482367 409410521 /nfs/dbraw/zinc/41/05/21/409410521.db2.gz SJHQCPADSCTIGV-DJLDLDEBSA-N 1 3 199.298 -0.020 20 0 ABADHO CN[C@@H](C)C(=O)N(C)C1(C[NH3+])CCC1 655464163 409410553 /nfs/dbraw/zinc/41/05/53/409410553.db2.gz BMHWLTFERHVHFQ-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C 655479502 409410614 /nfs/dbraw/zinc/41/06/14/409410614.db2.gz CWYZUTGWGZPDTE-HRDYMLBCSA-N 1 3 199.298 -0.149 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H](C)CCC[NH3+] 655466381 409410633 /nfs/dbraw/zinc/41/06/33/409410633.db2.gz YDFYLMQKSWZYNP-YUMQZZPRSA-N 1 3 187.287 -0.162 20 0 ABADHO CN[C@@H](C)C(=O)NC(C)(C)CC[NH3+] 655480566 409410644 /nfs/dbraw/zinc/41/06/44/409410644.db2.gz WXWWJRCPPQADBR-ZETCQYMHSA-N 1 3 187.287 -0.162 20 0 ABADHO CN[C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 655476200 409410669 /nfs/dbraw/zinc/41/06/69/409410669.db2.gz OTPRPQPAMOJLJL-CBAPKCEASA-N 1 3 199.298 -0.210 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@H](C)[NH3+] 655459254 409410683 /nfs/dbraw/zinc/41/06/83/409410683.db2.gz BJJCUHYEKIXLKP-WDSKDSINSA-N 1 3 159.233 -0.942 20 0 ABADHO CN[C@@H](C)C(=O)NCCC[NH2+]C1CC1 655483931 409410767 /nfs/dbraw/zinc/41/07/67/409410767.db2.gz NQCJECYQCYXJBJ-QMMMGPOBSA-N 1 3 199.298 -0.147 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)[C@H](C)NC 655459955 409410809 /nfs/dbraw/zinc/41/08/09/409410809.db2.gz QYWZAONFEVGHRR-SFYZADRCSA-N 1 3 187.287 -0.292 20 0 ABADHO CN[C@@H](C)C(=O)NC[C@@H](C)[NH3+] 655459253 409410826 /nfs/dbraw/zinc/41/08/26/409410826.db2.gz BJJCUHYEKIXLKP-RITPCOANSA-N 1 3 159.233 -0.942 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C 655465715 409410862 /nfs/dbraw/zinc/41/08/62/409410862.db2.gz NVLZSTWOFNVIJY-JGVFFNPUSA-N 1 3 199.298 -0.149 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1CCNC(C)(C)C1 655465140 409411566 /nfs/dbraw/zinc/41/15/66/409411566.db2.gz KJWOXSFCQWSHFH-QMMMGPOBSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@H](C)NC 655466750 409411679 /nfs/dbraw/zinc/41/16/79/409411679.db2.gz ULELLDTWSMEGLX-NKWVEPMBSA-N 1 3 173.260 -0.552 20 0 ABADHO CN[C@@H](C)C(=O)N(C)C1CC([NH3+])C1 655466461 409411716 /nfs/dbraw/zinc/41/17/16/409411716.db2.gz RALGHCLGNMPXNB-KKMMWDRVSA-N 1 3 185.271 -0.458 20 0 ABADHO CN[C@@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 655476335 409411732 /nfs/dbraw/zinc/41/17/32/409411732.db2.gz OTPRPQPAMOJLJL-IONNQARKSA-N 1 3 199.298 -0.210 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@H](C)NC 655466748 409411832 /nfs/dbraw/zinc/41/18/32/409411832.db2.gz ULELLDTWSMEGLX-BQBZGAKWSA-N 1 3 173.260 -0.552 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C 655465717 409411986 /nfs/dbraw/zinc/41/19/86/409411986.db2.gz NVLZSTWOFNVIJY-YUMQZZPRSA-N 1 3 199.298 -0.149 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H](C)C[NH3+] 655453916 409412044 /nfs/dbraw/zinc/41/20/44/409412044.db2.gz SJATYQDCOBHRCL-RITPCOANSA-N 1 3 159.233 -0.942 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 655457081 409412168 /nfs/dbraw/zinc/41/21/68/409412168.db2.gz WYDQHKRGLARERC-IUCAKERBSA-N 1 3 199.298 -0.147 20 0 ABADHO CN[C@@H](C)C(=O)NC1(C)CC[NH2+]CC1 655457652 409412191 /nfs/dbraw/zinc/41/21/91/409412191.db2.gz DVIPESPYIOVHOF-QMMMGPOBSA-N 1 3 199.298 -0.147 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 655457043 409412242 /nfs/dbraw/zinc/41/22/42/409412242.db2.gz WYDQHKRGLARERC-DTWKUNHWSA-N 1 3 199.298 -0.147 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H](C)CCC[NH3+] 655466378 409412273 /nfs/dbraw/zinc/41/22/73/409412273.db2.gz YDFYLMQKSWZYNP-SFYZADRCSA-N 1 3 187.287 -0.162 20 0 ABADHO C[C@@H](C(N)=O)N1CCC(CC[NH3+])CC1 69730105 409412298 /nfs/dbraw/zinc/41/22/98/409412298.db2.gz PHHSIWBYHDNGHA-QMMMGPOBSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@H](C(N)=O)N1CCC(CC[NH3+])CC1 69730107 409412607 /nfs/dbraw/zinc/41/26/07/409412607.db2.gz PHHSIWBYHDNGHA-MRVPVSSYSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@H](CCNC(N)=[NH2+])N(C)C 656508604 409439910 /nfs/dbraw/zinc/43/99/10/409439910.db2.gz QBNMVJQFNNKMBV-ZCFIWIBFSA-N 1 3 158.249 -0.190 20 0 ABADHO C[C@@H](CCNC(N)=[NH2+])N(C)C 656508603 409440005 /nfs/dbraw/zinc/44/00/05/409440005.db2.gz QBNMVJQFNNKMBV-LURJTMIESA-N 1 3 158.249 -0.190 20 0 ABADHO C[NH+](C)C1(CNC(=O)CN)CCCC1 110374269 409460828 /nfs/dbraw/zinc/46/08/28/409460828.db2.gz HIMRGQGLRLIBOO-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 117145663 409465061 /nfs/dbraw/zinc/46/50/61/409465061.db2.gz WKORJPHQZCHULN-NKWVEPMBSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 117145665 409465068 /nfs/dbraw/zinc/46/50/68/409465068.db2.gz WKORJPHQZCHULN-BQBZGAKWSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H]1C[C@@H](NC(=O)CC[NH3+])CCN1C 123101785 409467295 /nfs/dbraw/zinc/46/72/95/409467295.db2.gz IEKAAAFFMHWDEV-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1C[C@H](NC(=O)CC[NH3+])CCN1C 123101600 409467377 /nfs/dbraw/zinc/46/73/77/409467377.db2.gz IEKAAAFFMHWDEV-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)CC[NH3+])CCN1C 123101991 409467652 /nfs/dbraw/zinc/46/76/52/409467652.db2.gz IEKAAAFFMHWDEV-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]1C[C@H](NC(=O)CC[NH3+])CCN1C 123101428 409468128 /nfs/dbraw/zinc/46/81/28/409468128.db2.gz IEKAAAFFMHWDEV-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](CNC(=O)CC[NH3+])N1CCCC1 134108726 409499770 /nfs/dbraw/zinc/49/97/70/409499770.db2.gz NFQSTDDFCQQUFE-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@H](O)CCN1C[C@@H]2C[NH2+]C[C@@H]2C1 134135965 409499827 /nfs/dbraw/zinc/49/98/27/409499827.db2.gz YSISLFMNNCBFEM-LPEHRKFASA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@H](CNC(=O)CC[NH3+])N1CCCC1 134108922 409499853 /nfs/dbraw/zinc/49/98/53/409499853.db2.gz NFQSTDDFCQQUFE-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@H](O)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 134136391 409500010 /nfs/dbraw/zinc/50/00/10/409500010.db2.gz YSISLFMNNCBFEM-IVZWLZJFSA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@@H](O)CCN1C[C@@H]2C[NH2+]C[C@@H]2C1 134136167 409500105 /nfs/dbraw/zinc/50/01/05/409500105.db2.gz YSISLFMNNCBFEM-BBBLOLIVSA-N 1 3 184.283 -0.092 20 0 ABADHO CCCN1CCC[C@@H]1C(=O)NCC[NH3+] 212584651 409512124 /nfs/dbraw/zinc/51/21/24/409512124.db2.gz DCHJPQBGKLEXGF-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO CCCN1CCC[C@H]1C(=O)NCC[NH3+] 212584710 409512181 /nfs/dbraw/zinc/51/21/81/409512181.db2.gz DCHJPQBGKLEXGF-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@@H]1CCN(C(=O)C(C)(C)N)C[C@@H]1[NH3+] 658973446 409524212 /nfs/dbraw/zinc/52/42/12/409524212.db2.gz QNTXCAGDGPEMMJ-SFYZADRCSA-N 1 3 199.298 -0.081 20 0 ABADHO CC(C)NCC(=O)N(C)[C@@H]1CC[NH2+]C1 659298355 409525434 /nfs/dbraw/zinc/52/54/34/409525434.db2.gz VAAQTIGAAOLHRE-SECBINFHSA-N 1 3 199.298 -0.195 20 0 ABADHO CC(C)NCC(=O)NC[C@H]1CCC[NH2+]1 659295704 409525614 /nfs/dbraw/zinc/52/56/14/409525614.db2.gz YSNUREQBPCBBHQ-SECBINFHSA-N 1 3 199.298 -0.147 20 0 ABADHO CC(C)NCC(=O)NC[C@@H]1CCC[NH2+]1 659295705 409525804 /nfs/dbraw/zinc/52/58/04/409525804.db2.gz YSNUREQBPCBBHQ-VIFPVBQESA-N 1 3 199.298 -0.147 20 0 ABADHO CC(C)NCC(=O)N(C)[C@H]1CC[NH2+]C1 659298356 409527481 /nfs/dbraw/zinc/52/74/81/409527481.db2.gz VAAQTIGAAOLHRE-VIFPVBQESA-N 1 3 199.298 -0.195 20 0 ABADHO CC(C)NCC(=O)N[C@H]1CC[NH2+]C1 659303124 409527709 /nfs/dbraw/zinc/52/77/09/409527709.db2.gz LDJOCSOJIFLBNW-QMMMGPOBSA-N 1 3 185.271 -0.538 20 0 ABADHO C[C@@H](O)CCN(C)CCOCC[NH3+] 301050970 409541347 /nfs/dbraw/zinc/54/13/47/409541347.db2.gz SYMZNQCIRLJYQK-SECBINFHSA-N 1 3 190.287 -0.336 20 0 ABADHO C[C@H](O)CCN(C)CCOCC[NH3+] 301050971 409541637 /nfs/dbraw/zinc/54/16/37/409541637.db2.gz SYMZNQCIRLJYQK-VIFPVBQESA-N 1 3 190.287 -0.336 20 0 ABADHO C[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 306202314 409544842 /nfs/dbraw/zinc/54/48/42/409544842.db2.gz SIHHWIDIGIHMKN-MRVPVSSYSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@H]([NH3+])CNC(=O)C1(N)CCCC1 306270601 409550870 /nfs/dbraw/zinc/55/08/70/409550870.db2.gz UPWSYBCJBBKITP-ZETCQYMHSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)C1(N)CCCC1 306270600 409551468 /nfs/dbraw/zinc/55/14/68/409551468.db2.gz UPWSYBCJBBKITP-SSDOTTSWSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C 306291405 409556818 /nfs/dbraw/zinc/55/68/18/409556818.db2.gz RCCSKESXOYMHKU-FXQIFTODSA-N 1 3 185.271 -0.471 20 0 ABADHO CN(C(=O)C(C)(C)N)[C@H]1CC[NH2+]C1 306296993 409553660 /nfs/dbraw/zinc/55/36/60/409553660.db2.gz AZWMJIDPTPMLDZ-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C 306291403 409554269 /nfs/dbraw/zinc/55/42/69/409554269.db2.gz RCCSKESXOYMHKU-BIIVOSGPSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C 306291406 409554644 /nfs/dbraw/zinc/55/46/44/409554644.db2.gz RCCSKESXOYMHKU-GJMOJQLCSA-N 1 3 185.271 -0.471 20 0 ABADHO CN(C(=O)C(C)(C)N)[C@@H]1CC[NH2+]C1 306296992 409555019 /nfs/dbraw/zinc/55/50/19/409555019.db2.gz AZWMJIDPTPMLDZ-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C 306291404 409555357 /nfs/dbraw/zinc/55/53/57/409555357.db2.gz RCCSKESXOYMHKU-CSMHCCOUSA-N 1 3 185.271 -0.471 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 306291058 409555875 /nfs/dbraw/zinc/55/58/75/409555875.db2.gz RWCDSRABFYGUNN-RQJHMYQMSA-N 1 3 171.244 -0.717 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 306315242 409558288 /nfs/dbraw/zinc/55/82/88/409558288.db2.gz GRGBVELWIRDHGJ-BQBZGAKWSA-N 1 3 171.244 -0.798 20 0 ABADHO NCC(=O)N1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 306362592 409560210 /nfs/dbraw/zinc/56/02/10/409560210.db2.gz UCQJLVHCDWLLQW-DJLDLDEBSA-N 1 3 197.282 -0.469 20 0 ABADHO CC1(C)CNCCN1C(=O)CC[NH3+] 306347297 409560629 /nfs/dbraw/zinc/56/06/29/409560629.db2.gz RTNUGVJJYWTBDY-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@@H]1C[NH3+] 306356772 409560927 /nfs/dbraw/zinc/56/09/27/409560927.db2.gz DJIHHPCKKSVERF-NKWVEPMBSA-N 1 3 171.244 -0.717 20 0 ABADHO NCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 306362591 409561543 /nfs/dbraw/zinc/56/15/43/409561543.db2.gz UCQJLVHCDWLLQW-CIUDSAMLSA-N 1 3 197.282 -0.469 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH3+] 306356774 409561815 /nfs/dbraw/zinc/56/18/15/409561815.db2.gz DJIHHPCKKSVERF-RNFRBKRXSA-N 1 3 171.244 -0.717 20 0 ABADHO NCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 306362593 409562705 /nfs/dbraw/zinc/56/27/05/409562705.db2.gz UCQJLVHCDWLLQW-XHNCKOQMSA-N 1 3 197.282 -0.469 20 0 ABADHO NCC(=O)N1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 306362594 409562726 /nfs/dbraw/zinc/56/27/26/409562726.db2.gz UCQJLVHCDWLLQW-YIZRAAEISA-N 1 3 197.282 -0.469 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C 306402686 409563660 /nfs/dbraw/zinc/56/36/60/409563660.db2.gz RCCSKESXOYMHKU-BWZBUEFSSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](C)N 306402689 409563693 /nfs/dbraw/zinc/56/36/93/409563693.db2.gz RCCSKESXOYMHKU-XLPZGREQSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](C)N 306402688 409564226 /nfs/dbraw/zinc/56/42/26/409564226.db2.gz RCCSKESXOYMHKU-RNJXMRFFSA-N 1 3 185.271 -0.471 20 0 ABADHO NC1(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 306395129 409564515 /nfs/dbraw/zinc/56/45/15/409564515.db2.gz FYVJXKNJTVQKLM-ZETCQYMHSA-N 1 3 183.255 -0.654 20 0 ABADHO NC1(C(=O)NC[C@H]2CCC[NH2+]2)CC1 306395127 409565213 /nfs/dbraw/zinc/56/52/13/409565213.db2.gz FYVJXKNJTVQKLM-SSDOTTSWSA-N 1 3 183.255 -0.654 20 0 ABADHO C[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 306424163 409565495 /nfs/dbraw/zinc/56/54/95/409565495.db2.gz BRENPEFOBZKKLJ-JGVFFNPUSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 306424161 409566583 /nfs/dbraw/zinc/56/65/83/409566583.db2.gz BRENPEFOBZKKLJ-HTQZYQBOSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C 306402687 409566604 /nfs/dbraw/zinc/56/66/04/409566604.db2.gz RCCSKESXOYMHKU-PRJMDXOYSA-N 1 3 185.271 -0.471 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306426921 409567491 /nfs/dbraw/zinc/56/74/91/409567491.db2.gz IHAMYUVQVZBGMU-CWKFCGSDSA-N 1 3 183.255 -0.942 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 306424166 409567573 /nfs/dbraw/zinc/56/75/73/409567573.db2.gz BRENPEFOBZKKLJ-SFYZADRCSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 306424169 409568406 /nfs/dbraw/zinc/56/84/06/409568406.db2.gz BRENPEFOBZKKLJ-YUMQZZPRSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 306433584 409568466 /nfs/dbraw/zinc/56/84/66/409568466.db2.gz XEOUSYMMEQVMDI-ACZMJKKPSA-N 1 3 189.234 -0.850 20 0 ABADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(C)(C)N 306509865 409573399 /nfs/dbraw/zinc/57/33/99/409573399.db2.gz JZIGNHCVBMFLOX-RQJHMYQMSA-N 1 3 185.271 -0.328 20 0 ABADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(C)(C)N 306509864 409573748 /nfs/dbraw/zinc/57/37/48/409573748.db2.gz JZIGNHCVBMFLOX-RNFRBKRXSA-N 1 3 185.271 -0.328 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C 306512436 409574039 /nfs/dbraw/zinc/57/40/39/409574039.db2.gz PRUZLYCFCKYXCX-HRDYMLBCSA-N 1 3 199.298 -0.020 20 0 ABADHO C[NH2+]CC(=O)N1CCNCC1(C)C 306535952 409575099 /nfs/dbraw/zinc/57/50/99/409575099.db2.gz KCHAOLUBFRTZPM-UHFFFAOYSA-N 1 3 185.271 -0.584 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 306596093 409579016 /nfs/dbraw/zinc/57/90/16/409579016.db2.gz UVEUOMGVWXQDBN-HRDYMLBCSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 306596092 409579027 /nfs/dbraw/zinc/57/90/27/409579027.db2.gz UVEUOMGVWXQDBN-CIUDSAMLSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 306596094 409579045 /nfs/dbraw/zinc/57/90/45/409579045.db2.gz UVEUOMGVWXQDBN-VGMNWLOBSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 306596095 409579150 /nfs/dbraw/zinc/57/91/50/409579150.db2.gz UVEUOMGVWXQDBN-XHNCKOQMSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 306752858 409586355 /nfs/dbraw/zinc/58/63/55/409586355.db2.gz LVRVTDASZWAVLL-CIUDSAMLSA-N 1 3 199.298 -0.020 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 306752861 409586727 /nfs/dbraw/zinc/58/67/27/409586727.db2.gz LVRVTDASZWAVLL-YIZRAAEISA-N 1 3 199.298 -0.020 20 0 ABADHO CC(C)([NH3+])CNC(=O)C(C)(C)N 306761629 409586922 /nfs/dbraw/zinc/58/69/22/409586922.db2.gz RZJHTFXZCUINGZ-UHFFFAOYSA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 306752860 409587624 /nfs/dbraw/zinc/58/76/24/409587624.db2.gz LVRVTDASZWAVLL-VGMNWLOBSA-N 1 3 199.298 -0.020 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 306752859 409588269 /nfs/dbraw/zinc/58/82/69/409588269.db2.gz LVRVTDASZWAVLL-HLTSFMKQSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 306883595 409597514 /nfs/dbraw/zinc/59/75/14/409597514.db2.gz PCQPCIQUFAGUOV-YIZRAAEISA-N 1 3 197.282 -0.314 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 306854323 409597627 /nfs/dbraw/zinc/59/76/27/409597627.db2.gz UVEUOMGVWXQDBN-DJLDLDEBSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 306854324 409597769 /nfs/dbraw/zinc/59/77/69/409597769.db2.gz UVEUOMGVWXQDBN-HLTSFMKQSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 306883593 409599211 /nfs/dbraw/zinc/59/92/11/409599211.db2.gz PCQPCIQUFAGUOV-HLTSFMKQSA-N 1 3 197.282 -0.314 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 306854326 409599232 /nfs/dbraw/zinc/59/92/32/409599232.db2.gz UVEUOMGVWXQDBN-YIZRAAEISA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 306854325 409599504 /nfs/dbraw/zinc/59/95/04/409599504.db2.gz UVEUOMGVWXQDBN-IWSPIJDZSA-N 1 3 199.298 -0.081 20 0 ABADHO NC1(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 306948127 409603267 /nfs/dbraw/zinc/60/32/67/409603267.db2.gz RRRYWBCEZICXPG-QMMMGPOBSA-N 1 3 197.282 -0.264 20 0 ABADHO NC1(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 306948126 409604611 /nfs/dbraw/zinc/60/46/11/409604611.db2.gz RRRYWBCEZICXPG-MRVPVSSYSA-N 1 3 197.282 -0.264 20 0 ABADHO CNCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 307027883 409609349 /nfs/dbraw/zinc/60/93/49/409609349.db2.gz IFASLVCQSFGJEN-SNVBAGLBSA-N 1 3 197.282 -0.582 20 0 ABADHO CNCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 307027533 409609606 /nfs/dbraw/zinc/60/96/06/409609606.db2.gz IFASLVCQSFGJEN-JTQLQIEISA-N 1 3 197.282 -0.582 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 307079672 409612711 /nfs/dbraw/zinc/61/27/11/409612711.db2.gz ICCYNPIKMWTJFQ-DJLDLDEBSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 307079674 409613656 /nfs/dbraw/zinc/61/36/56/409613656.db2.gz ICCYNPIKMWTJFQ-YIZRAAEISA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 307079671 409613750 /nfs/dbraw/zinc/61/37/50/409613750.db2.gz ICCYNPIKMWTJFQ-CIUDSAMLSA-N 1 3 197.282 -0.456 20 0 ABADHO CC(C)(N)C(=O)N[C@@H]1CCC[NH2+]CC1 307066047 409613997 /nfs/dbraw/zinc/61/39/97/409613997.db2.gz RLTNRGGAKZKLLU-MRVPVSSYSA-N 1 3 199.298 -0.018 20 0 ABADHO CC(C)(N)C(=O)N[C@H]1CCC[NH2+]CC1 307066048 409614012 /nfs/dbraw/zinc/61/40/12/409614012.db2.gz RLTNRGGAKZKLLU-QMMMGPOBSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 307079673 409614261 /nfs/dbraw/zinc/61/42/61/409614261.db2.gz ICCYNPIKMWTJFQ-XHNCKOQMSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 307125869 409615999 /nfs/dbraw/zinc/61/59/99/409615999.db2.gz ICCYNPIKMWTJFQ-VGMNWLOBSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 307125865 409616562 /nfs/dbraw/zinc/61/65/62/409616562.db2.gz ICCYNPIKMWTJFQ-HRDYMLBCSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 307125867 409617248 /nfs/dbraw/zinc/61/72/48/409617248.db2.gz ICCYNPIKMWTJFQ-IWSPIJDZSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 307125863 409617508 /nfs/dbraw/zinc/61/75/08/409617508.db2.gz ICCYNPIKMWTJFQ-HLTSFMKQSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 307154285 409619737 /nfs/dbraw/zinc/61/97/37/409619737.db2.gz URCUZRFMEUTJMK-DJLDLDEBSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] 307154630 409620524 /nfs/dbraw/zinc/62/05/24/409620524.db2.gz UYVBQHGZJFPZJS-IWSPIJDZSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] 307154629 409620536 /nfs/dbraw/zinc/62/05/36/409620536.db2.gz UYVBQHGZJFPZJS-HLTSFMKQSA-N 1 3 199.298 -0.081 20 0 ABADHO CC(C)(N)C(=O)NC[C@@H]1CCC[NH2+]C1 307149057 409621451 /nfs/dbraw/zinc/62/14/51/409621451.db2.gz QQUCWIGTPFYUHZ-MRVPVSSYSA-N 1 3 199.298 -0.161 20 0 ABADHO CC(C)(N)C(=O)NC[C@H]1CCC[NH2+]C1 307149058 409621570 /nfs/dbraw/zinc/62/15/70/409621570.db2.gz QQUCWIGTPFYUHZ-QMMMGPOBSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@H]1CCCN(C(=O)[C@@H](C)N)[C@@H]1C[NH3+] 307154628 409621944 /nfs/dbraw/zinc/62/19/44/409621944.db2.gz UYVBQHGZJFPZJS-DJLDLDEBSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H]1CCCN(C(=O)[C@@H](C)N)[C@H]1C[NH3+] 307154631 409622165 /nfs/dbraw/zinc/62/21/65/409622165.db2.gz UYVBQHGZJFPZJS-YIZRAAEISA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 307154287 409622322 /nfs/dbraw/zinc/62/23/22/409622322.db2.gz URCUZRFMEUTJMK-YIZRAAEISA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 307154286 409622412 /nfs/dbraw/zinc/62/24/12/409622412.db2.gz URCUZRFMEUTJMK-XHNCKOQMSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 307154284 409622532 /nfs/dbraw/zinc/62/25/32/409622532.db2.gz URCUZRFMEUTJMK-CIUDSAMLSA-N 1 3 197.282 -0.456 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 307158432 409623668 /nfs/dbraw/zinc/62/36/68/409623668.db2.gz ZLDAIVZLNJKKDU-IUCAKERBSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 307158431 409623737 /nfs/dbraw/zinc/62/37/37/409623737.db2.gz ZLDAIVZLNJKKDU-BDAKNGLRSA-N 1 3 199.298 -0.018 20 0 ABADHO CNCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 307197985 409626440 /nfs/dbraw/zinc/62/64/40/409626440.db2.gz XBRJXSDFPJEBIP-RKDXNWHRSA-N 1 3 197.282 -0.584 20 0 ABADHO CNCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 307197983 409627044 /nfs/dbraw/zinc/62/70/44/409627044.db2.gz XBRJXSDFPJEBIP-DTWKUNHWSA-N 1 3 197.282 -0.584 20 0 ABADHO CNCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 307197982 409627223 /nfs/dbraw/zinc/62/72/23/409627223.db2.gz XBRJXSDFPJEBIP-BDAKNGLRSA-N 1 3 197.282 -0.584 20 0 ABADHO CNCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 307197984 409627338 /nfs/dbraw/zinc/62/73/38/409627338.db2.gz XBRJXSDFPJEBIP-IUCAKERBSA-N 1 3 197.282 -0.584 20 0 ABADHO CC[C@@H]1CN(C(=O)[C@H](C)N)CC[C@H]1[NH3+] 307229746 409628685 /nfs/dbraw/zinc/62/86/85/409628685.db2.gz BEQCWGAOOSAMDA-DJLDLDEBSA-N 1 3 199.298 -0.081 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC1CC[NH2+]CC1 307257481 409628853 /nfs/dbraw/zinc/62/88/53/409628853.db2.gz BEEIGLMEAFMLIZ-SECBINFHSA-N 1 3 199.298 -0.162 20 0 ABADHO NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 307259966 409629087 /nfs/dbraw/zinc/62/90/87/409629087.db2.gz LPUSBHKVDZXYKQ-WPRPVWTQSA-N 1 3 197.282 -0.468 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1[C@H](C)[NH2+]CC[C@H]1C 307262313 409629554 /nfs/dbraw/zinc/62/95/54/409629554.db2.gz RXQTWMARLITQEQ-XGEHTFHBSA-N 1 3 199.298 -0.164 20 0 ABADHO CC[C@H]1CN(C(=O)[C@H](C)N)CC[C@H]1[NH3+] 307229749 409629708 /nfs/dbraw/zinc/62/97/08/409629708.db2.gz BEQCWGAOOSAMDA-XHNCKOQMSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C 307262311 409629765 /nfs/dbraw/zinc/62/97/65/409629765.db2.gz RXQTWMARLITQEQ-XAVMHZPKSA-N 1 3 199.298 -0.164 20 0 ABADHO CC[C@@H]1CN(C(=O)[C@H](C)N)CC[C@@H]1[NH3+] 307229753 409630902 /nfs/dbraw/zinc/63/09/02/409630902.db2.gz BEQCWGAOOSAMDA-YIZRAAEISA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H]1CN(C(=O)[C@H](C)N)CC[C@@H]1[NH3+] 307229743 409631047 /nfs/dbraw/zinc/63/10/47/409631047.db2.gz BEQCWGAOOSAMDA-CIUDSAMLSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@H]1[NH3+] 307290122 409632799 /nfs/dbraw/zinc/63/27/99/409632799.db2.gz BEQCWGAOOSAMDA-IWSPIJDZSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@@H]1[NH3+] 307290114 409633458 /nfs/dbraw/zinc/63/34/58/409633458.db2.gz BEQCWGAOOSAMDA-HLTSFMKQSA-N 1 3 199.298 -0.081 20 0 ABADHO CNCC(=O)N[C@H]1[C@H](C)[NH2+]CC[C@H]1C 307345583 409638027 /nfs/dbraw/zinc/63/80/27/409638027.db2.gz KVWZOORZJMVKIZ-KHQFGBGNSA-N 1 3 199.298 -0.292 20 0 ABADHO CNCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 307345589 409638230 /nfs/dbraw/zinc/63/82/30/409638230.db2.gz KVWZOORZJMVKIZ-QXFUBDJGSA-N 1 3 199.298 -0.292 20 0 ABADHO CNCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C 307345585 409638519 /nfs/dbraw/zinc/63/85/19/409638519.db2.gz KVWZOORZJMVKIZ-NQMVMOMDSA-N 1 3 199.298 -0.292 20 0 ABADHO CNCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C 307345587 409638938 /nfs/dbraw/zinc/63/89/38/409638938.db2.gz KVWZOORZJMVKIZ-OYNCUSHFSA-N 1 3 199.298 -0.292 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C 307389106 409640392 /nfs/dbraw/zinc/64/03/92/409640392.db2.gz PRUZLYCFCKYXCX-IWSPIJDZSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@@H]([NH3+])CC(=O)N1CCNCC1(C)C 307399372 409641071 /nfs/dbraw/zinc/64/10/71/409641071.db2.gz WINOKQGAZKPMIL-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@@H]1NCC1(C)C 307444330 409644669 /nfs/dbraw/zinc/64/46/69/409644669.db2.gz BUCOITVPYCNLFL-RQJHMYQMSA-N 1 3 185.271 -0.552 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@H]1NCC1(C)C 307444328 409645399 /nfs/dbraw/zinc/64/53/99/409645399.db2.gz BUCOITVPYCNLFL-RNFRBKRXSA-N 1 3 185.271 -0.552 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@@H]1NCC1(C)C 307444324 409645843 /nfs/dbraw/zinc/64/58/43/409645843.db2.gz BUCOITVPYCNLFL-BQBZGAKWSA-N 1 3 185.271 -0.552 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@H]1NCC1(C)C 307444326 409646211 /nfs/dbraw/zinc/64/62/11/409646211.db2.gz BUCOITVPYCNLFL-NKWVEPMBSA-N 1 3 185.271 -0.552 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] 307457769 409648574 /nfs/dbraw/zinc/64/85/74/409648574.db2.gz ZSQHFWOCACYTHB-CIUDSAMLSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] 307457770 409647980 /nfs/dbraw/zinc/64/79/80/409647980.db2.gz ZSQHFWOCACYTHB-DJLDLDEBSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] 307457771 409648095 /nfs/dbraw/zinc/64/80/95/409648095.db2.gz ZSQHFWOCACYTHB-XHNCKOQMSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] 307457776 409649368 /nfs/dbraw/zinc/64/93/68/409649368.db2.gz ZSQHFWOCACYTHB-YIZRAAEISA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 307518033 409650975 /nfs/dbraw/zinc/65/09/75/409650975.db2.gz UQZMFOHSMGOSKE-IUCAKERBSA-N 1 3 197.282 -0.584 20 0 ABADHO CNCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 307518022 409651723 /nfs/dbraw/zinc/65/17/23/409651723.db2.gz UQZMFOHSMGOSKE-DTWKUNHWSA-N 1 3 197.282 -0.584 20 0 ABADHO CNCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 307518041 409652655 /nfs/dbraw/zinc/65/26/55/409652655.db2.gz UQZMFOHSMGOSKE-RKDXNWHRSA-N 1 3 197.282 -0.584 20 0 ABADHO CNCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 307518011 409652719 /nfs/dbraw/zinc/65/27/19/409652719.db2.gz UQZMFOHSMGOSKE-BDAKNGLRSA-N 1 3 197.282 -0.584 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H](C)C[NH3+] 307613451 409657010 /nfs/dbraw/zinc/65/70/10/409657010.db2.gz LWPGRZCZEGTXCV-PHDIDXHHSA-N 1 3 159.233 -0.813 20 0 ABADHO CC[C@H]1CN(C(=O)[C@@H](C)N)CC[C@H]1[NH3+] 307621198 409657364 /nfs/dbraw/zinc/65/73/64/409657364.db2.gz BEQCWGAOOSAMDA-HRDYMLBCSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 307613433 409657891 /nfs/dbraw/zinc/65/78/91/409657891.db2.gz LVRVTDASZWAVLL-HRDYMLBCSA-N 1 3 199.298 -0.020 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 307613431 409658215 /nfs/dbraw/zinc/65/82/15/409658215.db2.gz LVRVTDASZWAVLL-DJLDLDEBSA-N 1 3 199.298 -0.020 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 307613434 409658415 /nfs/dbraw/zinc/65/84/15/409658415.db2.gz LVRVTDASZWAVLL-IWSPIJDZSA-N 1 3 199.298 -0.020 20 0 ABADHO CC[C@H]1CN(C(=O)[C@@H](C)N)CC[C@@H]1[NH3+] 307621199 409659581 /nfs/dbraw/zinc/65/95/81/409659581.db2.gz BEQCWGAOOSAMDA-VGMNWLOBSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H](C)[NH3+] 307617826 409659783 /nfs/dbraw/zinc/65/97/83/409659783.db2.gz SBLUDUYLRYSKBJ-WDSKDSINSA-N 1 3 159.233 -0.813 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H](C)[NH3+] 307617825 409659845 /nfs/dbraw/zinc/65/98/45/409659845.db2.gz SBLUDUYLRYSKBJ-RITPCOANSA-N 1 3 159.233 -0.813 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 307613435 409660265 /nfs/dbraw/zinc/66/02/65/409660265.db2.gz LVRVTDASZWAVLL-XHNCKOQMSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C)CC[NH3+] 307674971 409664710 /nfs/dbraw/zinc/66/47/10/409664710.db2.gz DEILMRPONGHTKJ-RITPCOANSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@H](N)C(=O)NC[C@H](C)C[NH3+] 307666014 409664997 /nfs/dbraw/zinc/66/49/97/409664997.db2.gz BLLNKMKYJDMPIK-RITPCOANSA-N 1 3 159.233 -0.955 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@H](C)N 307666015 409665324 /nfs/dbraw/zinc/66/53/24/409665324.db2.gz BLLNKMKYJDMPIK-WDSKDSINSA-N 1 3 159.233 -0.955 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@@H](C)N 307666013 409665586 /nfs/dbraw/zinc/66/55/86/409665586.db2.gz BLLNKMKYJDMPIK-PHDIDXHHSA-N 1 3 159.233 -0.955 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@@H](C)N 307666012 409666267 /nfs/dbraw/zinc/66/62/67/409666267.db2.gz BLLNKMKYJDMPIK-NTSWFWBYSA-N 1 3 159.233 -0.955 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@H](C)N 307674972 409666661 /nfs/dbraw/zinc/66/66/61/409666661.db2.gz DEILMRPONGHTKJ-WDSKDSINSA-N 1 3 159.233 -0.813 20 0 ABADHO CC(C)([NH3+])CNC(=O)[C@H]1NCC1(C)C 307708483 409668027 /nfs/dbraw/zinc/66/80/27/409668027.db2.gz JDTBEDXETJPKLU-SSDOTTSWSA-N 1 3 199.298 -0.162 20 0 ABADHO CNCC(=O)N[C@@H]1CCC[NH2+]C1 307708207 409668095 /nfs/dbraw/zinc/66/80/95/409668095.db2.gz IOSYVNSWGVHPJK-SSDOTTSWSA-N 1 3 171.244 -0.926 20 0 ABADHO CC(C)([NH3+])CNC(=O)[C@@H]1NCC1(C)C 307708484 409668168 /nfs/dbraw/zinc/66/81/68/409668168.db2.gz JDTBEDXETJPKLU-ZETCQYMHSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)CC1 307748840 409669121 /nfs/dbraw/zinc/66/91/21/409669121.db2.gz DIOSRYIYFGMJRD-HTQZYQBOSA-N 1 3 197.282 -0.266 20 0 ABADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)CC1 307748841 409669132 /nfs/dbraw/zinc/66/91/32/409669132.db2.gz DIOSRYIYFGMJRD-JGVFFNPUSA-N 1 3 197.282 -0.266 20 0 ABADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)CC1 307748842 409669297 /nfs/dbraw/zinc/66/92/97/409669297.db2.gz DIOSRYIYFGMJRD-SFYZADRCSA-N 1 3 197.282 -0.266 20 0 ABADHO C[C@H]1CN(C(=O)[C@@H](C)C[NH3+])C[C@@H](C)N1 307748399 409669457 /nfs/dbraw/zinc/66/94/57/409669457.db2.gz BPMXHZJVHYPEMN-XHNCKOQMSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)CC1 307748843 409669569 /nfs/dbraw/zinc/66/95/69/409669569.db2.gz DIOSRYIYFGMJRD-YUMQZZPRSA-N 1 3 197.282 -0.266 20 0 ABADHO C[C@@H](C[NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 307748396 409669663 /nfs/dbraw/zinc/66/96/63/409669663.db2.gz BPMXHZJVHYPEMN-DJLDLDEBSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@@H]1CN(C(=O)[C@H](C)C[NH3+])C[C@@H](C)N1 307748398 409669810 /nfs/dbraw/zinc/66/98/10/409669810.db2.gz BPMXHZJVHYPEMN-IWSPIJDZSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)[C@H]([NH3+])CNC(=O)CN 307736106 409669824 /nfs/dbraw/zinc/66/98/24/409669824.db2.gz ZBVXZYACWSYVDE-ZCFIWIBFSA-N 1 3 159.233 -0.955 20 0 ABADHO C[C@H]1CN(C(=O)[C@H](C)C[NH3+])C[C@@H](C)N1 307748397 409670212 /nfs/dbraw/zinc/67/02/12/409670212.db2.gz BPMXHZJVHYPEMN-HLTSFMKQSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@H]1CN(C(=O)C[C@@H](C)[NH3+])C[C@@H](C)N1 307749106 409670648 /nfs/dbraw/zinc/67/06/48/409670648.db2.gz FIZLDBWBOLSAIT-HLTSFMKQSA-N 1 3 199.298 -0.068 20 0 ABADHO CC(C)[C@@H]([NH3+])CNC(=O)CN 307736105 409670943 /nfs/dbraw/zinc/67/09/43/409670943.db2.gz ZBVXZYACWSYVDE-LURJTMIESA-N 1 3 159.233 -0.955 20 0 ABADHO CC[C@H](N)C(=O)NCC[NH2+]C 308089545 409684945 /nfs/dbraw/zinc/68/49/45/409684945.db2.gz RXYFUYVKPHYSOX-LURJTMIESA-N 1 3 159.233 -0.941 20 0 ABADHO CC[NH2+]CCCNC(=O)CN 308137468 409687100 /nfs/dbraw/zinc/68/71/00/409687100.db2.gz FEQLAOZMRDJHBD-UHFFFAOYSA-N 1 3 159.233 -0.939 20 0 ABADHO C[C@@H](N)C(=O)NCC[NH2+]C1CC1 308184268 409691205 /nfs/dbraw/zinc/69/12/05/409691205.db2.gz IJDYGSIQITWJAX-ZCFIWIBFSA-N 1 3 171.244 -0.798 20 0 ABADHO CC[NH2+]CCNC(=O)[C@@H](C)N 308174304 409691223 /nfs/dbraw/zinc/69/12/23/409691223.db2.gz YJRNNYVQISDDIC-ZCFIWIBFSA-N 1 3 159.233 -0.941 20 0 ABADHO CNCC(=O)NC[C@@H]([NH3+])C1CC1 308179988 409691757 /nfs/dbraw/zinc/69/17/57/409691757.db2.gz FTNINRRPEFMJNB-SSDOTTSWSA-N 1 3 171.244 -0.941 20 0 ABADHO CC[NH2+]CCNC(=O)[C@H](C)N 308174302 409691790 /nfs/dbraw/zinc/69/17/90/409691790.db2.gz YJRNNYVQISDDIC-LURJTMIESA-N 1 3 159.233 -0.941 20 0 ABADHO CC(C)[C@@](C)(CN)[NH2+]CCN 308176134 409692388 /nfs/dbraw/zinc/69/23/88/409692388.db2.gz ZGCTVQJPEDDVKF-MRVPVSSYSA-N 1 3 159.277 -0.092 20 0 ABADHO C[C@@H](N)C(=O)N(C)CCC[NH3+] 308170656 409692512 /nfs/dbraw/zinc/69/25/12/409692512.db2.gz WNWZJKUUCMOGPJ-ZCFIWIBFSA-N 1 3 159.233 -0.859 20 0 ABADHO CNCC(=O)NC[C@H]([NH3+])C1CC1 308179991 409692558 /nfs/dbraw/zinc/69/25/58/409692558.db2.gz FTNINRRPEFMJNB-ZETCQYMHSA-N 1 3 171.244 -0.941 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H](C)C[NH3+] 308185379 409692659 /nfs/dbraw/zinc/69/26/59/409692659.db2.gz IUSUWCHEUQSJOB-RQJHMYQMSA-N 1 3 173.260 -0.565 20 0 ABADHO CC[C@@H](N)C(=O)NCC[NH2+]C 308162106 409693198 /nfs/dbraw/zinc/69/31/98/409693198.db2.gz RXYFUYVKPHYSOX-ZCFIWIBFSA-N 1 3 159.233 -0.941 20 0 ABADHO CC(C)[C@](C)(CN)[NH2+]CCN 308176135 409693438 /nfs/dbraw/zinc/69/34/38/409693438.db2.gz ZGCTVQJPEDDVKF-QMMMGPOBSA-N 1 3 159.277 -0.092 20 0 ABADHO CNCC(=O)NCC1([NH3+])CCC1 308184937 409693842 /nfs/dbraw/zinc/69/38/42/409693842.db2.gz IMTDGWCZGVAEOJ-UHFFFAOYSA-N 1 3 171.244 -0.797 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H](C)C[NH3+] 308185378 409693988 /nfs/dbraw/zinc/69/39/88/409693988.db2.gz IUSUWCHEUQSJOB-BQBZGAKWSA-N 1 3 173.260 -0.565 20 0 ABADHO CC[C@@H](N)C(=O)NC(C)(C)C[NH3+] 308189424 409695107 /nfs/dbraw/zinc/69/51/07/409695107.db2.gz MIRUFQJXVJRTQS-ZCFIWIBFSA-N 1 3 173.260 -0.423 20 0 ABADHO CN(CCC[NH3+])C(=O)C(C)(C)N 308202674 409695172 /nfs/dbraw/zinc/69/51/72/409695172.db2.gz ZTAHBRJOZVDFGQ-UHFFFAOYSA-N 1 3 173.260 -0.469 20 0 ABADHO CC[C@H](N)C(=O)N[C@H](C)CC[NH3+] 308190813 409695351 /nfs/dbraw/zinc/69/53/51/409695351.db2.gz NRIHQHFSMDACOG-RQJHMYQMSA-N 1 3 173.260 -0.423 20 0 ABADHO CN(C)C(=O)CC[NH2+]CC(C)(C)N 308196975 409695525 /nfs/dbraw/zinc/69/55/25/409695525.db2.gz NEPQDFKZXLLMTI-UHFFFAOYSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H](C)CC[NH3+] 308190808 409695576 /nfs/dbraw/zinc/69/55/76/409695576.db2.gz NRIHQHFSMDACOG-BQBZGAKWSA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@@H](N)C(=O)N(C)[C@H](C)C[NH3+] 308198904 409695787 /nfs/dbraw/zinc/69/57/87/409695787.db2.gz WCTULRHASGYRDM-RNFRBKRXSA-N 1 3 173.260 -0.471 20 0 ABADHO CNCC(=O)NC[C@@H]([NH3+])C(C)C 308192258 409695823 /nfs/dbraw/zinc/69/58/23/409695823.db2.gz PDDNTCWIQBEJDV-SSDOTTSWSA-N 1 3 173.260 -0.695 20 0 ABADHO CNCC(=O)N[C@H](C[NH3+])C1CC1 308195638 409695864 /nfs/dbraw/zinc/69/58/64/409695864.db2.gz RZVUDIVWODRNAA-SSDOTTSWSA-N 1 3 171.244 -0.941 20 0 ABADHO CC[C@@H](N)C(=O)N(C)CCC[NH3+] 308198002 409696093 /nfs/dbraw/zinc/69/60/93/409696093.db2.gz VEFXWULLEZZVEY-SSDOTTSWSA-N 1 3 173.260 -0.469 20 0 ABADHO CC[C@H](N)C(=O)NC(C)(C)C[NH3+] 308189423 409696116 /nfs/dbraw/zinc/69/61/16/409696116.db2.gz MIRUFQJXVJRTQS-LURJTMIESA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H](C)CC[NH3+] 308190811 409696320 /nfs/dbraw/zinc/69/63/20/409696320.db2.gz NRIHQHFSMDACOG-RNFRBKRXSA-N 1 3 173.260 -0.423 20 0 ABADHO CNCC(=O)N[C@@H](C[NH3+])C1CC1 308195640 409696663 /nfs/dbraw/zinc/69/66/63/409696663.db2.gz RZVUDIVWODRNAA-ZETCQYMHSA-N 1 3 171.244 -0.941 20 0 ABADHO CC[NH2+]CCCNC(=O)[C@H](C)N 308202838 409696753 /nfs/dbraw/zinc/69/67/53/409696753.db2.gz AKEPHGLJHXIQQI-ZETCQYMHSA-N 1 3 173.260 -0.551 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](C)N 308190875 409696947 /nfs/dbraw/zinc/69/69/47/409696947.db2.gz NSBJDXMEAXZQPA-RNFRBKRXSA-N 1 3 173.260 -0.552 20 0 ABADHO CC[C@@H](N)C(=O)N(C)[C@@H](C)C[NH3+] 308198903 409697050 /nfs/dbraw/zinc/69/70/50/409697050.db2.gz WCTULRHASGYRDM-NKWVEPMBSA-N 1 3 173.260 -0.471 20 0 ABADHO CNCC(=O)NC[C@H]([NH3+])C(C)C 308192260 409697312 /nfs/dbraw/zinc/69/73/12/409697312.db2.gz PDDNTCWIQBEJDV-ZETCQYMHSA-N 1 3 173.260 -0.695 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H](C)CC[NH3+] 308190810 409697556 /nfs/dbraw/zinc/69/75/56/409697556.db2.gz NRIHQHFSMDACOG-NKWVEPMBSA-N 1 3 173.260 -0.423 20 0 ABADHO CC(C)[NH2+]CCCNC(=O)CN 308376376 409713404 /nfs/dbraw/zinc/71/34/04/409713404.db2.gz NYMMDKGMFVVSAX-UHFFFAOYSA-N 1 3 173.260 -0.551 20 0 ABADHO CC[NH2+]CCNC(=O)[C@H](N)CC 308386046 409713548 /nfs/dbraw/zinc/71/35/48/409713548.db2.gz UKRXMCUHJDKADK-SSDOTTSWSA-N 1 3 173.260 -0.551 20 0 ABADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)N 308363071 409713730 /nfs/dbraw/zinc/71/37/30/409713730.db2.gz FPIJEUYFJIINDE-RNFRBKRXSA-N 1 3 173.260 -0.567 20 0 ABADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)N 308363072 409713930 /nfs/dbraw/zinc/71/39/30/409713930.db2.gz FPIJEUYFJIINDE-RQJHMYQMSA-N 1 3 173.260 -0.567 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H](C)C[NH3+] 308367999 409714389 /nfs/dbraw/zinc/71/43/89/409714389.db2.gz IUSUWCHEUQSJOB-NKWVEPMBSA-N 1 3 173.260 -0.565 20 0 ABADHO CC(C)C[C@@H](C[NH3+])NC(=O)CN 308387009 409714427 /nfs/dbraw/zinc/71/44/27/409714427.db2.gz VERQSHHRUAYEHY-ZETCQYMHSA-N 1 3 173.260 -0.565 20 0 ABADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)N 308363070 409714450 /nfs/dbraw/zinc/71/44/50/409714450.db2.gz FPIJEUYFJIINDE-NKWVEPMBSA-N 1 3 173.260 -0.567 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)C(C)(C)N 308388682 409714647 /nfs/dbraw/zinc/71/46/47/409714647.db2.gz WSACXTJVWUBICW-LURJTMIESA-N 1 3 173.260 -0.565 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)C(C)(C)N 308388872 409714995 /nfs/dbraw/zinc/71/49/95/409714995.db2.gz WSACXTJVWUBICW-ZCFIWIBFSA-N 1 3 173.260 -0.565 20 0 ABADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)N 308363069 409715018 /nfs/dbraw/zinc/71/50/18/409715018.db2.gz FPIJEUYFJIINDE-BQBZGAKWSA-N 1 3 173.260 -0.567 20 0 ABADHO CC(C)[C@@](C)(C[NH3+])NC(=O)CN 308355059 409715183 /nfs/dbraw/zinc/71/51/83/409715183.db2.gz AVZDYDYKSCPPQB-MRVPVSSYSA-N 1 3 173.260 -0.565 20 0 ABADHO CC[NH2+]CCCNC(=O)CNC 308377016 409716430 /nfs/dbraw/zinc/71/64/30/409716430.db2.gz OKVDWESDCXCZIU-UHFFFAOYSA-N 1 3 173.260 -0.678 20 0 ABADHO CC[NH2+]CCNC(=O)[C@@H](N)CC 308386050 409716473 /nfs/dbraw/zinc/71/64/73/409716473.db2.gz UKRXMCUHJDKADK-ZETCQYMHSA-N 1 3 173.260 -0.551 20 0 ABADHO CC(C)C[C@H](C[NH3+])NC(=O)CN 308387008 409716502 /nfs/dbraw/zinc/71/65/02/409716502.db2.gz VERQSHHRUAYEHY-SSDOTTSWSA-N 1 3 173.260 -0.565 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H](C)C[NH3+] 308368001 409716619 /nfs/dbraw/zinc/71/66/19/409716619.db2.gz IUSUWCHEUQSJOB-RNFRBKRXSA-N 1 3 173.260 -0.565 20 0 ABADHO CC(C)[C@](C)(C[NH3+])NC(=O)CN 308355672 409716713 /nfs/dbraw/zinc/71/67/13/409716713.db2.gz AVZDYDYKSCPPQB-QMMMGPOBSA-N 1 3 173.260 -0.565 20 0 ABADHO CC[C@@H](N)C(=O)NCC(C)(C)[NH3+] 308397985 409718086 /nfs/dbraw/zinc/71/80/86/409718086.db2.gz GMMMAELSHSQJIC-ZCFIWIBFSA-N 1 3 173.260 -0.423 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@H](C)[NH3+] 308392489 409718620 /nfs/dbraw/zinc/71/86/20/409718620.db2.gz ZJXJVWMKRQMAAQ-NKWVEPMBSA-N 1 3 173.260 -0.567 20 0 ABADHO CC(C)CNC[C@H]1C[NH2+]C[C@H]1O 308396333 409718684 /nfs/dbraw/zinc/71/86/84/409718684.db2.gz DSWWEHFJOZRZII-DTWKUNHWSA-N 1 3 172.272 -0.188 20 0 ABADHO CC(C)C[NH2+]C[C@H]1CNC[C@H]1O 308396333 409718693 /nfs/dbraw/zinc/71/86/93/409718693.db2.gz DSWWEHFJOZRZII-DTWKUNHWSA-N 1 3 172.272 -0.188 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@H](C)[NH3+] 308392482 409718906 /nfs/dbraw/zinc/71/89/06/409718906.db2.gz ZJXJVWMKRQMAAQ-BQBZGAKWSA-N 1 3 173.260 -0.567 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@@H](C)[NH3+] 308392504 409718965 /nfs/dbraw/zinc/71/89/65/409718965.db2.gz ZJXJVWMKRQMAAQ-RQJHMYQMSA-N 1 3 173.260 -0.567 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@@H](C)[NH3+] 308392496 409719084 /nfs/dbraw/zinc/71/90/84/409719084.db2.gz ZJXJVWMKRQMAAQ-RNFRBKRXSA-N 1 3 173.260 -0.567 20 0 ABADHO CC[C@H](N)C(=O)NCC(C)(C)[NH3+] 308397984 409720537 /nfs/dbraw/zinc/72/05/37/409720537.db2.gz GMMMAELSHSQJIC-LURJTMIESA-N 1 3 173.260 -0.423 20 0 ABADHO CC[C@H](N)C(=O)N(C)[C@H](C)C[NH3+] 308425259 409721954 /nfs/dbraw/zinc/72/19/54/409721954.db2.gz WCTULRHASGYRDM-RQJHMYQMSA-N 1 3 173.260 -0.471 20 0 ABADHO CC[C@H](N)C(=O)N(C)[C@@H](C)C[NH3+] 308424964 409722420 /nfs/dbraw/zinc/72/24/20/409722420.db2.gz WCTULRHASGYRDM-BQBZGAKWSA-N 1 3 173.260 -0.471 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] 308490123 409726861 /nfs/dbraw/zinc/72/68/61/409726861.db2.gz BHKZCMQIDMEMHT-SFYZADRCSA-N 1 3 187.287 -0.033 20 0 ABADHO C[C@@H](N)C(=O)NCC[NH2+]C(C)(C)C 308505137 409727185 /nfs/dbraw/zinc/72/71/85/409727185.db2.gz IHTORYHSVLPFSS-SSDOTTSWSA-N 1 3 187.287 -0.162 20 0 ABADHO C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)N 308490125 409727462 /nfs/dbraw/zinc/72/74/62/409727462.db2.gz BHKZCMQIDMEMHT-YUMQZZPRSA-N 1 3 187.287 -0.033 20 0 ABADHO C[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 308508308 409730627 /nfs/dbraw/zinc/73/06/27/409730627.db2.gz JPONBRFAPDVCAY-RCOVLWMOSA-N 1 3 185.271 -0.423 20 0 ABADHO CNCC(=O)NCC[NH2+]C(C)(C)C 308521336 409729377 /nfs/dbraw/zinc/72/93/77/409729377.db2.gz STTIWQDAFYEIIL-UHFFFAOYSA-N 1 3 187.287 -0.290 20 0 ABADHO [NH3+][C@H]1CCN(C(=O)CNC2CC2)C1 308518872 409730542 /nfs/dbraw/zinc/73/05/42/409730542.db2.gz NYRBEKMHFMJDSX-ZETCQYMHSA-N 1 3 183.255 -0.702 20 0 ABADHO C[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 308508305 409730844 /nfs/dbraw/zinc/73/08/44/409730844.db2.gz JPONBRFAPDVCAY-IMTBSYHQSA-N 1 3 185.271 -0.423 20 0 ABADHO C[NH2+]CCCNC(=O)CNC(C)C 662398371 409730898 /nfs/dbraw/zinc/73/08/98/409730898.db2.gz VMGJWIKYXZHXAC-UHFFFAOYSA-N 1 3 187.287 -0.290 20 0 ABADHO CC[C@H]([NH2+]C)C(=O)N1CCCNCC1 662396246 409731011 /nfs/dbraw/zinc/73/10/11/409731011.db2.gz SDTJHEQIZBBONL-VIFPVBQESA-N 1 3 199.298 -0.194 20 0 ABADHO [NH3+][C@@H]1CCN(C(=O)CNC2CC2)C1 308518870 409731021 /nfs/dbraw/zinc/73/10/21/409731021.db2.gz NYRBEKMHFMJDSX-SSDOTTSWSA-N 1 3 183.255 -0.702 20 0 ABADHO CC1(CNC[C@H]2C[NH2+]C[C@H]2O)CC1 308513943 409731088 /nfs/dbraw/zinc/73/10/88/409731088.db2.gz LZIVTJUBKYQZEU-RKDXNWHRSA-N 1 3 184.283 -0.044 20 0 ABADHO [NH3+][C@H]1C[C@H](C(=O)N2CCCNCC2)C1 662396116 409731987 /nfs/dbraw/zinc/73/19/87/409731987.db2.gz PRXPDPYCNVRNKK-KYZUINATSA-N 1 3 197.282 -0.454 20 0 ABADHO CC[C@@H]([NH2+]C)C(=O)N1CCCNCC1 662396245 409732177 /nfs/dbraw/zinc/73/21/77/409732177.db2.gz SDTJHEQIZBBONL-SECBINFHSA-N 1 3 199.298 -0.194 20 0 ABADHO CC(C)NCC(=O)NC1CC[NH2+]CC1 662390603 409732367 /nfs/dbraw/zinc/73/23/67/409732367.db2.gz OYGHMWKGQHMXJA-UHFFFAOYSA-N 1 3 199.298 -0.147 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@@H](C)C[NH3+] 308549883 409732390 /nfs/dbraw/zinc/73/23/90/409732390.db2.gz XARPWIFUDKWPRD-YUMQZZPRSA-N 1 3 187.287 -0.319 20 0 ABADHO CC(C)[C@H]([NH3+])CNC(=O)C1(N)CC1 308548937 409732619 /nfs/dbraw/zinc/73/26/19/409732619.db2.gz WQZNPRQBKYMVMQ-SSDOTTSWSA-N 1 3 185.271 -0.423 20 0 ABADHO CC(C)C[C@H](N)C(=O)NC[C@@H](C)[NH3+] 308559007 409732683 /nfs/dbraw/zinc/73/26/83/409732683.db2.gz CXLLPEKJHHRPLM-SFYZADRCSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@H](C)C[NH3+] 308549879 409732806 /nfs/dbraw/zinc/73/28/06/409732806.db2.gz XARPWIFUDKWPRD-HTQZYQBOSA-N 1 3 187.287 -0.319 20 0 ABADHO CC(C)C[C@H](N)C(=O)NC[C@H](C)[NH3+] 308559008 409732976 /nfs/dbraw/zinc/73/29/76/409732976.db2.gz CXLLPEKJHHRPLM-YUMQZZPRSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)[C@@H]([NH3+])CNC(=O)C1(N)CC1 308548938 409733346 /nfs/dbraw/zinc/73/33/46/409733346.db2.gz WQZNPRQBKYMVMQ-ZETCQYMHSA-N 1 3 185.271 -0.423 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1C[C@@H](C)N[C@H](C)C1 662415145 409733539 /nfs/dbraw/zinc/73/35/39/409733539.db2.gz CANKVGFRXOJTLW-HLTSFMKQSA-N 1 3 199.298 -0.197 20 0 ABADHO CNCC(=O)N[C@@](C)(C[NH3+])C(C)C 308558737 409733656 /nfs/dbraw/zinc/73/36/56/409733656.db2.gz CWFCXPIYLVHSFB-VIFPVBQESA-N 1 3 187.287 -0.305 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@H](C)C[NH3+] 308549882 409733852 /nfs/dbraw/zinc/73/38/52/409733852.db2.gz XARPWIFUDKWPRD-SFYZADRCSA-N 1 3 187.287 -0.319 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1C[C@H](C)N[C@@H](C)C1 662415144 409733897 /nfs/dbraw/zinc/73/38/97/409733897.db2.gz CANKVGFRXOJTLW-CIUDSAMLSA-N 1 3 199.298 -0.197 20 0 ABADHO CNCC(=O)N[C@](C)(C[NH3+])C(C)C 308558736 409734103 /nfs/dbraw/zinc/73/41/03/409734103.db2.gz CWFCXPIYLVHSFB-SECBINFHSA-N 1 3 187.287 -0.305 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@@H](C)C[NH3+] 308549881 409734400 /nfs/dbraw/zinc/73/44/00/409734400.db2.gz XARPWIFUDKWPRD-JGVFFNPUSA-N 1 3 187.287 -0.319 20 0 ABADHO CNCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 308581276 409735954 /nfs/dbraw/zinc/73/59/54/409735954.db2.gz PGLCDCSXAOESHJ-YUMQZZPRSA-N 1 3 185.271 -0.599 20 0 ABADHO CCCN(C(=O)CN)[C@@H]1CC[NH2+]C1 308587714 409735984 /nfs/dbraw/zinc/73/59/84/409735984.db2.gz SYMMURNTARGERP-MRVPVSSYSA-N 1 3 185.271 -0.454 20 0 ABADHO CNCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 308581273 409736099 /nfs/dbraw/zinc/73/60/99/409736099.db2.gz PGLCDCSXAOESHJ-HTQZYQBOSA-N 1 3 185.271 -0.599 20 0 ABADHO CNCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 308581275 409736653 /nfs/dbraw/zinc/73/66/53/409736653.db2.gz PGLCDCSXAOESHJ-SFYZADRCSA-N 1 3 185.271 -0.599 20 0 ABADHO CC(C)C[C@](C)(C[NH3+])NC(=O)CN 308577036 409736703 /nfs/dbraw/zinc/73/67/03/409736703.db2.gz NDHPJOOENDIEPP-SECBINFHSA-N 1 3 187.287 -0.175 20 0 ABADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)CN 308577037 409736859 /nfs/dbraw/zinc/73/68/59/409736859.db2.gz NDHPJOOENDIEPP-VIFPVBQESA-N 1 3 187.287 -0.175 20 0 ABADHO CNCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 308581274 409737716 /nfs/dbraw/zinc/73/77/16/409737716.db2.gz PGLCDCSXAOESHJ-JGVFFNPUSA-N 1 3 185.271 -0.599 20 0 ABADHO CCCN(C(=O)CN)[C@H]1CC[NH2+]C1 308587715 409737749 /nfs/dbraw/zinc/73/77/49/409737749.db2.gz SYMMURNTARGERP-QMMMGPOBSA-N 1 3 185.271 -0.454 20 0 ABADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN 308597701 409739137 /nfs/dbraw/zinc/73/91/37/409739137.db2.gz ZPSLJYPQMCKCTP-QMMMGPOBSA-N 1 3 187.287 -0.223 20 0 ABADHO CNCC(=O)N[C@@H](C[NH3+])CC(C)C 308594981 409739441 /nfs/dbraw/zinc/73/94/41/409739441.db2.gz YBDXQONRQGCFPK-MRVPVSSYSA-N 1 3 187.287 -0.305 20 0 ABADHO CC(C)[C@H](N)C(=O)NCC(C)(C)[NH3+] 308594845 409739614 /nfs/dbraw/zinc/73/96/14/409739614.db2.gz XZTNFVLKWUCGBS-ZETCQYMHSA-N 1 3 187.287 -0.177 20 0 ABADHO C[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] 308600646 409739700 /nfs/dbraw/zinc/73/97/00/409739700.db2.gz APMLURSFYRJPQC-SSDOTTSWSA-N 1 3 187.287 -0.223 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1C[C@H](C)NC[C@@H]1C 662515887 409739739 /nfs/dbraw/zinc/73/97/39/409739739.db2.gz ZARYCGXNAPPVCT-CIUDSAMLSA-N 1 3 199.298 -0.197 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C 662515888 409739917 /nfs/dbraw/zinc/73/99/17/409739917.db2.gz ZARYCGXNAPPVCT-HLTSFMKQSA-N 1 3 199.298 -0.197 20 0 ABADHO CC(C)[C@@H](N)C(=O)NCC(C)(C)[NH3+] 308594843 409740185 /nfs/dbraw/zinc/74/01/85/409740185.db2.gz XZTNFVLKWUCGBS-SSDOTTSWSA-N 1 3 187.287 -0.177 20 0 ABADHO CNCC(=O)N[C@H](C[NH3+])CC(C)C 308594982 409740300 /nfs/dbraw/zinc/74/03/00/409740300.db2.gz YBDXQONRQGCFPK-QMMMGPOBSA-N 1 3 187.287 -0.305 20 0 ABADHO CC(C)[C@@H](N)C(=O)N(C)CCC[NH3+] 308590588 409740352 /nfs/dbraw/zinc/74/03/52/409740352.db2.gz VCMKUQQGFIKYCY-MRVPVSSYSA-N 1 3 187.287 -0.223 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)C(C)(C)N 308603336 409740451 /nfs/dbraw/zinc/74/04/51/409740451.db2.gz BFDZOCSXWFTDLO-SSDOTTSWSA-N 1 3 187.287 -0.162 20 0 ABADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H](C)N 308603630 409740637 /nfs/dbraw/zinc/74/06/37/409740637.db2.gz BHKZCMQIDMEMHT-JGVFFNPUSA-N 1 3 187.287 -0.033 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C 662515889 409740842 /nfs/dbraw/zinc/74/08/42/409740842.db2.gz ZARYCGXNAPPVCT-VGMNWLOBSA-N 1 3 199.298 -0.197 20 0 ABADHO CC(C)(N)C(=O)NC[C@@H]([NH3+])C1CC1 308595061 409740891 /nfs/dbraw/zinc/74/08/91/409740891.db2.gz YHDCEUWKJDAKQB-SSDOTTSWSA-N 1 3 185.271 -0.423 20 0 ABADHO CC[C@H]([NH2+]C)C(=O)NCCN(C)C 662516274 409740920 /nfs/dbraw/zinc/74/09/20/409740920.db2.gz CXTOUFCPCXHDTB-QMMMGPOBSA-N 1 3 187.287 -0.338 20 0 ABADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)N 308603627 409741550 /nfs/dbraw/zinc/74/15/50/409741550.db2.gz BHKZCMQIDMEMHT-HTQZYQBOSA-N 1 3 187.287 -0.033 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1C[C@H](C)NC[C@H]1C 662515890 409741038 /nfs/dbraw/zinc/74/10/38/409741038.db2.gz ZARYCGXNAPPVCT-YIZRAAEISA-N 1 3 199.298 -0.197 20 0 ABADHO CC[C@@H]([NH2+]C)C(=O)NCCN(C)C 662516273 409741122 /nfs/dbraw/zinc/74/11/22/409741122.db2.gz CXTOUFCPCXHDTB-MRVPVSSYSA-N 1 3 187.287 -0.338 20 0 ABADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)CN 308597700 409741427 /nfs/dbraw/zinc/74/14/27/409741427.db2.gz ZPSLJYPQMCKCTP-MRVPVSSYSA-N 1 3 187.287 -0.223 20 0 ABADHO CC(C)(N)C(=O)NC[C@H]([NH3+])C1CC1 308595062 409741495 /nfs/dbraw/zinc/74/14/95/409741495.db2.gz YHDCEUWKJDAKQB-ZETCQYMHSA-N 1 3 185.271 -0.423 20 0 ABADHO CN[C@@H](C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 662551789 409742478 /nfs/dbraw/zinc/74/24/78/409742478.db2.gz PBAMDZBGHJQRLK-HRDYMLBCSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)NCC(=O)NC[C@@H](C)C[NH3+] 662549566 409742498 /nfs/dbraw/zinc/74/24/98/409742498.db2.gz QWBDUNNONSNJDK-QMMMGPOBSA-N 1 3 187.287 -0.305 20 0 ABADHO CN[C@@H](C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 662551788 409742517 /nfs/dbraw/zinc/74/25/17/409742517.db2.gz PBAMDZBGHJQRLK-CIUDSAMLSA-N 1 3 199.298 -0.210 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C 662549607 409742538 /nfs/dbraw/zinc/74/25/38/409742538.db2.gz SNAZGBLNJPCACD-XHNCKOQMSA-N 1 3 199.298 -0.210 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 308642003 409742587 /nfs/dbraw/zinc/74/25/87/409742587.db2.gz FGFZPKCNMGBNBG-HTQZYQBOSA-N 1 3 185.271 -0.423 20 0 ABADHO CCC([NH3+])(CC)CNC(=O)[C@H](C)N 308639970 409742607 /nfs/dbraw/zinc/74/26/07/409742607.db2.gz DMLNQBKXIZAVHV-ZETCQYMHSA-N 1 3 187.287 -0.033 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C 662549606 409742722 /nfs/dbraw/zinc/74/27/22/409742722.db2.gz SNAZGBLNJPCACD-VGMNWLOBSA-N 1 3 199.298 -0.210 20 0 ABADHO CN[C@@H](C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 662551792 409742796 /nfs/dbraw/zinc/74/27/96/409742796.db2.gz PBAMDZBGHJQRLK-XHNCKOQMSA-N 1 3 199.298 -0.210 20 0 ABADHO CN[C@@H](C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 662551791 409742827 /nfs/dbraw/zinc/74/28/27/409742827.db2.gz PBAMDZBGHJQRLK-VGMNWLOBSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)N 308643715 409742840 /nfs/dbraw/zinc/74/28/40/409742840.db2.gz GGDYUQJJUIPXSZ-HTQZYQBOSA-N 1 3 187.287 -0.177 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 662556116 409742973 /nfs/dbraw/zinc/74/29/73/409742973.db2.gz LVCIVOQOFNQKTF-XHNCKOQMSA-N 1 3 199.298 -0.020 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C 662549604 409743020 /nfs/dbraw/zinc/74/30/20/409743020.db2.gz SNAZGBLNJPCACD-CIUDSAMLSA-N 1 3 199.298 -0.210 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 662556115 409743087 /nfs/dbraw/zinc/74/30/87/409743087.db2.gz LVCIVOQOFNQKTF-DJLDLDEBSA-N 1 3 199.298 -0.020 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 308647902 409743104 /nfs/dbraw/zinc/74/31/04/409743104.db2.gz IQBHODVARLBLSF-HTQZYQBOSA-N 1 3 185.271 -0.423 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C 662549605 409743203 /nfs/dbraw/zinc/74/32/03/409743203.db2.gz SNAZGBLNJPCACD-HRDYMLBCSA-N 1 3 199.298 -0.210 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 308636086 409743256 /nfs/dbraw/zinc/74/32/56/409743256.db2.gz CIVMFJOZABFADF-HTQZYQBOSA-N 1 3 185.271 -0.408 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 662556114 409743269 /nfs/dbraw/zinc/74/32/69/409743269.db2.gz LVCIVOQOFNQKTF-CIUDSAMLSA-N 1 3 199.298 -0.020 20 0 ABADHO C[NH2+]CCNC(=O)[C@H](N)CC(C)C 308647613 409743306 /nfs/dbraw/zinc/74/33/06/409743306.db2.gz IMMZYBNQHVHCSC-MRVPVSSYSA-N 1 3 187.287 -0.305 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 662562819 409743344 /nfs/dbraw/zinc/74/33/44/409743344.db2.gz QFJLGYNMUJQVGH-CIUDSAMLSA-N 1 3 199.298 -0.149 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 662562824 409743378 /nfs/dbraw/zinc/74/33/78/409743378.db2.gz QFJLGYNMUJQVGH-XHNCKOQMSA-N 1 3 199.298 -0.149 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 662556117 409743451 /nfs/dbraw/zinc/74/34/51/409743451.db2.gz LVCIVOQOFNQKTF-YIZRAAEISA-N 1 3 199.298 -0.020 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 662562822 409743501 /nfs/dbraw/zinc/74/35/01/409743501.db2.gz QFJLGYNMUJQVGH-VGMNWLOBSA-N 1 3 199.298 -0.149 20 0 ABADHO CC(C)C[C@@H](N)C(=O)NC[C@@H](C)[NH3+] 308637935 409743517 /nfs/dbraw/zinc/74/35/17/409743517.db2.gz CXLLPEKJHHRPLM-HTQZYQBOSA-N 1 3 187.287 -0.177 20 0 ABADHO CCC[NH2+]CCNC(=O)C1(N)CC1 308635536 409743562 /nfs/dbraw/zinc/74/35/62/409743562.db2.gz CFUAWRUISMGVGK-UHFFFAOYSA-N 1 3 185.271 -0.407 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 308636089 409743681 /nfs/dbraw/zinc/74/36/81/409743681.db2.gz CIVMFJOZABFADF-YUMQZZPRSA-N 1 3 185.271 -0.408 20 0 ABADHO CCC([NH3+])(CC)CNC(=O)[C@@H](C)N 308639968 409743722 /nfs/dbraw/zinc/74/37/22/409743722.db2.gz DMLNQBKXIZAVHV-SSDOTTSWSA-N 1 3 187.287 -0.033 20 0 ABADHO CC(C)C[C@@H](N)C(=O)NC[C@H](C)[NH3+] 308637941 409743796 /nfs/dbraw/zinc/74/37/96/409743796.db2.gz CXLLPEKJHHRPLM-JGVFFNPUSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 308636088 409743816 /nfs/dbraw/zinc/74/38/16/409743816.db2.gz CIVMFJOZABFADF-SFYZADRCSA-N 1 3 185.271 -0.408 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)NCC[NH2+]C 308644485 409743831 /nfs/dbraw/zinc/74/38/31/409743831.db2.gz GUWBBXIQPAVLBJ-SFYZADRCSA-N 1 3 187.287 -0.305 20 0 ABADHO CC(C)NCC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 662565228 409743910 /nfs/dbraw/zinc/74/39/10/409743910.db2.gz JYHUWCJMCHTQDA-MBTKJCJQSA-N 1 3 197.282 -0.682 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 308642005 409743932 /nfs/dbraw/zinc/74/39/32/409743932.db2.gz FGFZPKCNMGBNBG-SFYZADRCSA-N 1 3 185.271 -0.423 20 0 ABADHO NC1(C(=O)N[C@H](C[NH3+])C2CC2)CC1 308647641 409743965 /nfs/dbraw/zinc/74/39/65/409743965.db2.gz INKYYAHDLQFFMO-SSDOTTSWSA-N 1 3 183.255 -0.669 20 0 ABADHO CC(C)NCC(=O)NC[C@H](C)C[NH3+] 662549565 409744109 /nfs/dbraw/zinc/74/41/09/409744109.db2.gz QWBDUNNONSNJDK-MRVPVSSYSA-N 1 3 187.287 -0.305 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 662562821 409744173 /nfs/dbraw/zinc/74/41/73/409744173.db2.gz QFJLGYNMUJQVGH-HRDYMLBCSA-N 1 3 199.298 -0.149 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 308647903 409744203 /nfs/dbraw/zinc/74/42/03/409744203.db2.gz IQBHODVARLBLSF-JGVFFNPUSA-N 1 3 185.271 -0.423 20 0 ABADHO CC(C)NCC(=O)N[C@@H](C)CC[NH3+] 662552836 409744263 /nfs/dbraw/zinc/74/42/63/409744263.db2.gz UCCBBPAGZVLXOU-QMMMGPOBSA-N 1 3 187.287 -0.162 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 308647904 409744310 /nfs/dbraw/zinc/74/43/10/409744310.db2.gz IQBHODVARLBLSF-SFYZADRCSA-N 1 3 185.271 -0.423 20 0 ABADHO CC(C)NCC(=O)N[C@H](C)CC[NH3+] 662552834 409744391 /nfs/dbraw/zinc/74/43/91/409744391.db2.gz UCCBBPAGZVLXOU-MRVPVSSYSA-N 1 3 187.287 -0.162 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 308642006 409744402 /nfs/dbraw/zinc/74/44/02/409744402.db2.gz FGFZPKCNMGBNBG-YUMQZZPRSA-N 1 3 185.271 -0.423 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)NCC[NH2+]C 308644486 409744511 /nfs/dbraw/zinc/74/45/11/409744511.db2.gz GUWBBXIQPAVLBJ-YUMQZZPRSA-N 1 3 187.287 -0.305 20 0 ABADHO CC[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 308642004 409744561 /nfs/dbraw/zinc/74/45/61/409744561.db2.gz FGFZPKCNMGBNBG-JGVFFNPUSA-N 1 3 185.271 -0.423 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 308636087 409744602 /nfs/dbraw/zinc/74/46/02/409744602.db2.gz CIVMFJOZABFADF-JGVFFNPUSA-N 1 3 185.271 -0.408 20 0 ABADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)N 308643716 409744709 /nfs/dbraw/zinc/74/47/09/409744709.db2.gz GGDYUQJJUIPXSZ-SFYZADRCSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 308647905 409744811 /nfs/dbraw/zinc/74/48/11/409744811.db2.gz IQBHODVARLBLSF-YUMQZZPRSA-N 1 3 185.271 -0.423 20 0 ABADHO NC1(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 308647642 409744911 /nfs/dbraw/zinc/74/49/11/409744911.db2.gz INKYYAHDLQFFMO-ZETCQYMHSA-N 1 3 183.255 -0.669 20 0 ABADHO CCC[C@](C)(N)C(=O)N[C@H](C)C[NH3+] 308658163 409746758 /nfs/dbraw/zinc/74/67/58/409746758.db2.gz OXXXTSSDIIEAFA-APPZFPTMSA-N 1 3 187.287 -0.033 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H](N)CC(C)C 308647614 409745060 /nfs/dbraw/zinc/74/50/60/409745060.db2.gz IMMZYBNQHVHCSC-QMMMGPOBSA-N 1 3 187.287 -0.305 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 662572559 409746824 /nfs/dbraw/zinc/74/68/24/409746824.db2.gz YXPZVSSTBDDTDV-CIUDSAMLSA-N 1 3 199.298 -0.162 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 662572561 409745336 /nfs/dbraw/zinc/74/53/36/409745336.db2.gz YXPZVSSTBDDTDV-DJLDLDEBSA-N 1 3 199.298 -0.162 20 0 ABADHO CN(CC(C)(C)[NH3+])C(=O)C(C)(C)N 662605425 409745585 /nfs/dbraw/zinc/74/55/85/409745585.db2.gz NWBRHOQXVJDJSR-UHFFFAOYSA-N 1 3 187.287 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] 662605660 409745626 /nfs/dbraw/zinc/74/56/26/409745626.db2.gz PYNHHDFARNIELI-ZETCQYMHSA-N 1 3 187.287 -0.081 20 0 ABADHO CN[C@@H](C)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 662571722 409745654 /nfs/dbraw/zinc/74/56/54/409745654.db2.gz JSAVBSPHTSZBQX-GJMOJQLCSA-N 1 3 185.271 -0.600 20 0 ABADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)N 308649484 409745842 /nfs/dbraw/zinc/74/58/42/409745842.db2.gz JLVJEGJNADNQPD-HTQZYQBOSA-N 1 3 187.287 -0.033 20 0 ABADHO CC(C)[C@H](N)C(=O)N[C@@H](C)CC[NH3+] 308662648 409745867 /nfs/dbraw/zinc/74/58/67/409745867.db2.gz QWPMXPWGIDIWEM-YUMQZZPRSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 308652044 409745979 /nfs/dbraw/zinc/74/59/79/409745979.db2.gz LHGMNLUTSDWDIR-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO CCC[C@@](C)(N)C(=O)N[C@H](C)C[NH3+] 308658164 409746162 /nfs/dbraw/zinc/74/61/62/409746162.db2.gz OXXXTSSDIIEAFA-VXNVDRBHSA-N 1 3 187.287 -0.033 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C[NH3+] 308649891 409746178 /nfs/dbraw/zinc/74/61/78/409746178.db2.gz JPOQAHBVXHEUPH-RNJXMRFFSA-N 1 3 187.287 -0.177 20 0 ABADHO CCCC[C@H](C[NH3+])NC(=O)CNC 308655281 409746282 /nfs/dbraw/zinc/74/62/82/409746282.db2.gz NSUBQWSINSQKID-MRVPVSSYSA-N 1 3 187.287 -0.161 20 0 ABADHO C[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 308649887 409746508 /nfs/dbraw/zinc/74/65/08/409746508.db2.gz JPONBRFAPDVCAY-HZGVNTEJSA-N 1 3 185.271 -0.423 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 662572563 409746510 /nfs/dbraw/zinc/74/65/10/409746510.db2.gz YXPZVSSTBDDTDV-YIZRAAEISA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] 662607319 409746521 /nfs/dbraw/zinc/74/65/21/409746521.db2.gz LUZGHNYPLCHDMA-LURJTMIESA-N 1 3 173.260 -0.471 20 0 ABADHO CCC(CC)(C[NH3+])NC(=O)[C@H](C)N 308655325 409746560 /nfs/dbraw/zinc/74/65/60/409746560.db2.gz NTXMAOVVUTYWBS-ZETCQYMHSA-N 1 3 187.287 -0.033 20 0 ABADHO CC[C@@H](N)C(=O)N(C)CC(C)(C)[NH3+] 662605659 409746608 /nfs/dbraw/zinc/74/66/08/409746608.db2.gz PYNHHDFARNIELI-SSDOTTSWSA-N 1 3 187.287 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 308652047 409746649 /nfs/dbraw/zinc/74/66/49/409746649.db2.gz LHGMNLUTSDWDIR-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO CN[C@@H](C)C(=O)N(C)CC(C)(C)[NH3+] 662602418 409746684 /nfs/dbraw/zinc/74/66/84/409746684.db2.gz PMQUSJIJARGEKN-ZETCQYMHSA-N 1 3 187.287 -0.210 20 0 ABADHO CCCC[C@@H](C[NH3+])NC(=O)CNC 308655282 409746687 /nfs/dbraw/zinc/74/66/87/409746687.db2.gz NSUBQWSINSQKID-QMMMGPOBSA-N 1 3 187.287 -0.161 20 0 ABADHO CCC(CC)(C[NH3+])NC(=O)[C@@H](C)N 308655324 409746701 /nfs/dbraw/zinc/74/67/01/409746701.db2.gz NTXMAOVVUTYWBS-SSDOTTSWSA-N 1 3 187.287 -0.033 20 0 ABADHO CNCC(=O)N(C)CC(C)(C)[NH3+] 662605704 409746716 /nfs/dbraw/zinc/74/67/16/409746716.db2.gz QOYKTFAJGJTERQ-UHFFFAOYSA-N 1 3 173.260 -0.599 20 0 ABADHO CCC([NH3+])(CC)CNC(=O)CNC 308649497 409746790 /nfs/dbraw/zinc/74/67/90/409746790.db2.gz JMJPCMFEXIGFBT-UHFFFAOYSA-N 1 3 187.287 -0.161 20 0 ABADHO C[C@@H](N)C(=O)N(C)CC(C)(C)[NH3+] 662605296 409746966 /nfs/dbraw/zinc/74/69/66/409746966.db2.gz LUZGHNYPLCHDMA-ZCFIWIBFSA-N 1 3 173.260 -0.471 20 0 ABADHO CC[NH2+]CCNC(=O)[C@@H](N)C(C)C 308650015 409747117 /nfs/dbraw/zinc/74/71/17/409747117.db2.gz JSZNKFXNICLFEQ-QMMMGPOBSA-N 1 3 187.287 -0.305 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 662572562 409747119 /nfs/dbraw/zinc/74/71/19/409747119.db2.gz YXPZVSSTBDDTDV-XHNCKOQMSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@@H](N)C(C)(C)C 308650681 409747610 /nfs/dbraw/zinc/74/76/10/409747610.db2.gz KHEYUSDDPAESNT-RNFRBKRXSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[NH2+]CCCNC(=O)[C@@H](N)CC 308661952 409747719 /nfs/dbraw/zinc/74/77/19/409747719.db2.gz QJYLYKDJKMLTMA-QMMMGPOBSA-N 1 3 187.287 -0.161 20 0 ABADHO CCC[NH2+]CCNC(=O)[C@@H](N)CC 308653982 409747736 /nfs/dbraw/zinc/74/77/36/409747736.db2.gz MUNVKDFSTNEXCK-QMMMGPOBSA-N 1 3 187.287 -0.161 20 0 ABADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 308652045 409747829 /nfs/dbraw/zinc/74/78/29/409747829.db2.gz LHGMNLUTSDWDIR-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO CC[NH2+]CCNC(=O)[C@H](N)C(C)C 308650014 409747944 /nfs/dbraw/zinc/74/79/44/409747944.db2.gz JSZNKFXNICLFEQ-MRVPVSSYSA-N 1 3 187.287 -0.305 20 0 ABADHO CCC[NH2+]CCNC(=O)[C@H](N)CC 308653981 409747963 /nfs/dbraw/zinc/74/79/63/409747963.db2.gz MUNVKDFSTNEXCK-MRVPVSSYSA-N 1 3 187.287 -0.161 20 0 ABADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 308652046 409748168 /nfs/dbraw/zinc/74/81/68/409748168.db2.gz LHGMNLUTSDWDIR-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO CC(C)[C@H](N)C(=O)N[C@H](C)CC[NH3+] 308662647 409748215 /nfs/dbraw/zinc/74/82/15/409748215.db2.gz QWPMXPWGIDIWEM-SFYZADRCSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)C[NH3+] 308649890 409748248 /nfs/dbraw/zinc/74/82/48/409748248.db2.gz JPOQAHBVXHEUPH-PRJMDXOYSA-N 1 3 187.287 -0.177 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@@H](N)C(C)(C)C 308650680 409748259 /nfs/dbraw/zinc/74/82/59/409748259.db2.gz KHEYUSDDPAESNT-NKWVEPMBSA-N 1 3 187.287 -0.177 20 0 ABADHO C[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 308649888 409748303 /nfs/dbraw/zinc/74/83/03/409748303.db2.gz JPONBRFAPDVCAY-MUWHJKNJSA-N 1 3 185.271 -0.423 20 0 ABADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)N 308649485 409748333 /nfs/dbraw/zinc/74/83/33/409748333.db2.gz JLVJEGJNADNQPD-SFYZADRCSA-N 1 3 187.287 -0.033 20 0 ABADHO C[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C 662634999 409748658 /nfs/dbraw/zinc/74/86/58/409748658.db2.gz TVNOTBGCZVMBCM-YUMQZZPRSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@H](N)C(=O)NCC1([NH3+])CCCC1 662649885 409748801 /nfs/dbraw/zinc/74/88/01/409748801.db2.gz SVACRJIJSCURPS-ZETCQYMHSA-N 1 3 185.271 -0.279 20 0 ABADHO CN(CC(C)(C)[NH3+])C(=O)CNC1CC1 662611856 409748962 /nfs/dbraw/zinc/74/89/62/409748962.db2.gz HKJVQCGWFMTTKQ-UHFFFAOYSA-N 1 3 199.298 -0.066 20 0 ABADHO CN[C@@H](C)C(=O)NCC1([NH3+])CCCC1 662646234 409748981 /nfs/dbraw/zinc/74/89/81/409748981.db2.gz GWWPANLJUZMUOR-QMMMGPOBSA-N 1 3 199.298 -0.018 20 0 ABADHO CCC[NH2+]CCNC(=O)C(C)(C)N 308666716 409749231 /nfs/dbraw/zinc/74/92/31/409749231.db2.gz SVKLDJAFFRLCHA-UHFFFAOYSA-N 1 3 187.287 -0.161 20 0 ABADHO CNCC(=O)N(C)CC(C)(C)C[NH3+] 308681990 409749402 /nfs/dbraw/zinc/74/94/02/409749402.db2.gz XVZXBGNOZWIJOV-UHFFFAOYSA-N 1 3 187.287 -0.351 20 0 ABADHO C[C@@H](N)C(=O)NCC1([NH3+])CCCC1 662649878 409749413 /nfs/dbraw/zinc/74/94/13/409749413.db2.gz SVACRJIJSCURPS-SSDOTTSWSA-N 1 3 185.271 -0.279 20 0 ABADHO CC[C@@H](N)C(=O)NCC[NH2+]C1CC1 308681490 409749466 /nfs/dbraw/zinc/74/94/66/409749466.db2.gz XSCNCVROBMUCQH-MRVPVSSYSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C 662634994 409749585 /nfs/dbraw/zinc/74/95/85/409749585.db2.gz TVNOTBGCZVMBCM-HTQZYQBOSA-N 1 3 187.287 -0.210 20 0 ABADHO C[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C 662634996 409749903 /nfs/dbraw/zinc/74/99/03/409749903.db2.gz TVNOTBGCZVMBCM-SFYZADRCSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CC 308674763 409749992 /nfs/dbraw/zinc/74/99/92/409749992.db2.gz VWSHWRSQUQHCII-SFYZADRCSA-N 1 3 187.287 -0.162 20 0 ABADHO C[C@@H](CCNC(=O)[C@@H](C)N)[NH+](C)C 662634995 409750033 /nfs/dbraw/zinc/75/00/33/409750033.db2.gz TVNOTBGCZVMBCM-JGVFFNPUSA-N 1 3 187.287 -0.210 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)[NH3+] 308682820 409750074 /nfs/dbraw/zinc/75/00/74/409750074.db2.gz YEJOCBFGXCBPAW-RNJXMRFFSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 308678549 409750101 /nfs/dbraw/zinc/75/01/01/409750101.db2.gz WZGXHNVPMQYWHF-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 308678547 409750116 /nfs/dbraw/zinc/75/01/16/409750116.db2.gz WZGXHNVPMQYWHF-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO CNCC(=O)NCC[C@H](C)[NH+](C)C 662633735 409750309 /nfs/dbraw/zinc/75/03/09/409750309.db2.gz OWHXOXQOMIGSHO-QMMMGPOBSA-N 1 3 187.287 -0.338 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)C1(N)CC1 308683214 409750360 /nfs/dbraw/zinc/75/03/60/409750360.db2.gz YHOIUQOMNRSWNB-SSDOTTSWSA-N 1 3 185.271 -0.408 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 308678546 409750414 /nfs/dbraw/zinc/75/04/14/409750414.db2.gz WZGXHNVPMQYWHF-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO CNCC(=O)NCC1([NH3+])CCCC1 662647512 409750424 /nfs/dbraw/zinc/75/04/24/409750424.db2.gz AAIKWOCGAPBLNP-UHFFFAOYSA-N 1 3 185.271 -0.407 20 0 ABADHO CC[NH2+]CCCNC(=O)C1(N)CC1 308664676 409750481 /nfs/dbraw/zinc/75/04/81/409750481.db2.gz RVFWUICQRRGMGE-UHFFFAOYSA-N 1 3 185.271 -0.407 20 0 ABADHO CNCC(=O)NCC[C@@H](C)[NH+](C)C 662633734 409750500 /nfs/dbraw/zinc/75/05/00/409750500.db2.gz OWHXOXQOMIGSHO-MRVPVSSYSA-N 1 3 187.287 -0.338 20 0 ABADHO CC[NH2+]CCNC(=O)CNC1CC1 308700979 409750623 /nfs/dbraw/zinc/75/06/23/409750623.db2.gz XVUKIOCAQGAKCZ-UHFFFAOYSA-N 1 3 185.271 -0.536 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 308678548 409750649 /nfs/dbraw/zinc/75/06/49/409750649.db2.gz WZGXHNVPMQYWHF-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO CC(C)[C@H](N)C(=O)N(C)CCC[NH3+] 308671078 409750716 /nfs/dbraw/zinc/75/07/16/409750716.db2.gz VCMKUQQGFIKYCY-QMMMGPOBSA-N 1 3 187.287 -0.223 20 0 ABADHO CC[C@H](N)C(=O)NCC1([NH3+])CCC1 308668641 409750925 /nfs/dbraw/zinc/75/09/25/409750925.db2.gz UKYVHMWRCUNRGW-ZETCQYMHSA-N 1 3 185.271 -0.279 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C 308672522 409750961 /nfs/dbraw/zinc/75/09/61/409750961.db2.gz VLDTVNBGEPFYAR-HTQZYQBOSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C 308672524 409751068 /nfs/dbraw/zinc/75/10/68/409751068.db2.gz VLDTVNBGEPFYAR-SFYZADRCSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)(C[NH3+])NC(=O)CNC1CC1 308671286 409751086 /nfs/dbraw/zinc/75/10/86/409751086.db2.gz VELBRBZCDQEYTB-UHFFFAOYSA-N 1 3 185.271 -0.408 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)[NH3+] 308682815 409751243 /nfs/dbraw/zinc/75/12/43/409751243.db2.gz YEJOCBFGXCBPAW-FXQIFTODSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)[NH3+] 308682819 409751450 /nfs/dbraw/zinc/75/14/50/409751450.db2.gz YEJOCBFGXCBPAW-PRJMDXOYSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)[NH3+] 308682814 409751464 /nfs/dbraw/zinc/75/14/64/409751464.db2.gz YEJOCBFGXCBPAW-CSMHCCOUSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)CC 308674759 409751695 /nfs/dbraw/zinc/75/16/95/409751695.db2.gz VWSHWRSQUQHCII-HTQZYQBOSA-N 1 3 187.287 -0.162 20 0 ABADHO CC[C@@H](N)C(=O)NCC1([NH3+])CCC1 308668640 409751793 /nfs/dbraw/zinc/75/17/93/409751793.db2.gz UKYVHMWRCUNRGW-SSDOTTSWSA-N 1 3 185.271 -0.279 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 308848855 409754492 /nfs/dbraw/zinc/75/44/92/409754492.db2.gz QISCIFAFIXTTDE-BDAKNGLRSA-N 1 3 199.298 -0.177 20 0 ABADHO C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)N(C)C 662693868 409752482 /nfs/dbraw/zinc/75/24/82/409752482.db2.gz MKERVDIMPHXTOS-CIUDSAMLSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)[NH2+]CCCNC(=O)C1(N)CC1 308845950 409752612 /nfs/dbraw/zinc/75/26/12/409752612.db2.gz MFYYATGNLULXBT-UHFFFAOYSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)N(C)C 662693869 409752782 /nfs/dbraw/zinc/75/27/82/409752782.db2.gz MKERVDIMPHXTOS-IWSPIJDZSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 308848859 409752879 /nfs/dbraw/zinc/75/28/79/409752879.db2.gz QISCIFAFIXTTDE-IUCAKERBSA-N 1 3 199.298 -0.177 20 0 ABADHO [NH3+][C@@H]1CCCN(C(=O)CNC2CC2)C1 308828982 409752904 /nfs/dbraw/zinc/75/29/04/409752904.db2.gz ITXWAXLDDFDROL-MRVPVSSYSA-N 1 3 197.282 -0.312 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 308848861 409753182 /nfs/dbraw/zinc/75/31/82/409753182.db2.gz QISCIFAFIXTTDE-RKDXNWHRSA-N 1 3 199.298 -0.177 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCCCN1 308818870 409753296 /nfs/dbraw/zinc/75/32/96/409753296.db2.gz BIROQZCNJACWLP-IUCAKERBSA-N 1 3 199.298 -0.161 20 0 ABADHO CNCC(=O)NC[C@@H]1CCCC[NH2+]1 308727261 409753443 /nfs/dbraw/zinc/75/34/43/409753443.db2.gz HFGAFRDLPSOCNF-QMMMGPOBSA-N 1 3 185.271 -0.536 20 0 ABADHO CC(C)(C)[C@H](N)C(=O)NCC1C[NH2+]C1 308835685 409753572 /nfs/dbraw/zinc/75/35/72/409753572.db2.gz LDOODXQJUYWEQE-MRVPVSSYSA-N 1 3 199.298 -0.305 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 308847086 409753679 /nfs/dbraw/zinc/75/36/79/409753679.db2.gz PRCFRTDSUGYJAI-BDAKNGLRSA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 308848857 409753824 /nfs/dbraw/zinc/75/38/24/409753824.db2.gz QISCIFAFIXTTDE-DTWKUNHWSA-N 1 3 199.298 -0.177 20 0 ABADHO C[NH2+]CCNC(=O)[C@H]1CCCCN1 308738264 409753945 /nfs/dbraw/zinc/75/39/45/409753945.db2.gz MXVGEINTKLCVIB-MRVPVSSYSA-N 1 3 185.271 -0.536 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@H]1CCCCN1 308818871 409753958 /nfs/dbraw/zinc/75/39/58/409753958.db2.gz BIROQZCNJACWLP-RKDXNWHRSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[NH2+]CC1CCN(C(=O)CN)CC1 308831795 409754082 /nfs/dbraw/zinc/75/40/82/409754082.db2.gz GKJYOTYUESDCRZ-UHFFFAOYSA-N 1 3 199.298 -0.207 20 0 ABADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 308847091 409754138 /nfs/dbraw/zinc/75/41/38/409754138.db2.gz PRCFRTDSUGYJAI-IUCAKERBSA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 308847093 409754381 /nfs/dbraw/zinc/75/43/81/409754381.db2.gz PRCFRTDSUGYJAI-RKDXNWHRSA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 308847088 409754421 /nfs/dbraw/zinc/75/44/21/409754421.db2.gz PRCFRTDSUGYJAI-DTWKUNHWSA-N 1 3 199.298 -0.162 20 0 ABADHO CNCC(=O)NC[C@H]1CCCC[NH2+]1 308727258 409754542 /nfs/dbraw/zinc/75/45/42/409754542.db2.gz HFGAFRDLPSOCNF-MRVPVSSYSA-N 1 3 185.271 -0.536 20 0 ABADHO C[NH2+]CCCNC(=O)CNC1CC1 308736827 409754641 /nfs/dbraw/zinc/75/46/41/409754641.db2.gz LTALFHJSVFASNH-UHFFFAOYSA-N 1 3 185.271 -0.536 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@H]1CCCCN1 308818869 409754766 /nfs/dbraw/zinc/75/47/66/409754766.db2.gz BIROQZCNJACWLP-DTWKUNHWSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCCN1 308818868 409754993 /nfs/dbraw/zinc/75/49/93/409754993.db2.gz BIROQZCNJACWLP-BDAKNGLRSA-N 1 3 199.298 -0.161 20 0 ABADHO [NH3+][C@H]1CCCN(C(=O)CNC2CC2)C1 308828984 409755018 /nfs/dbraw/zinc/75/50/18/409755018.db2.gz ITXWAXLDDFDROL-QMMMGPOBSA-N 1 3 197.282 -0.312 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1CCN[C@@H](C)[C@@H]1C 662772857 409755205 /nfs/dbraw/zinc/75/52/05/409755205.db2.gz HHHCROBLKFHLPY-CIUDSAMLSA-N 1 3 199.298 -0.197 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1CCN[C@H](C)[C@H]1C 662772858 409755319 /nfs/dbraw/zinc/75/53/19/409755319.db2.gz HHHCROBLKFHLPY-HRDYMLBCSA-N 1 3 199.298 -0.197 20 0 ABADHO CC(C)[C@H](N)C(=O)NCC[NH2+]C1CC1 308865731 409755424 /nfs/dbraw/zinc/75/54/24/409755424.db2.gz WVKGKMFOBIDOLJ-VIFPVBQESA-N 1 3 199.298 -0.162 20 0 ABADHO NCC(=O)NC[C@@H]([NH3+])c1ccccc1 308868655 409755565 /nfs/dbraw/zinc/75/55/65/409755565.db2.gz XYWHZSLSTPFYDT-SECBINFHSA-N 1 3 193.250 -0.239 20 0 ABADHO CN(C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 662777800 409755621 /nfs/dbraw/zinc/75/56/21/409755621.db2.gz CTIPGHZLOOSJGF-ZKCHVHJHSA-N 1 3 185.271 -0.599 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C 662772859 409755673 /nfs/dbraw/zinc/75/56/73/409755673.db2.gz HHHCROBLKFHLPY-VGMNWLOBSA-N 1 3 199.298 -0.197 20 0 ABADHO O=C(CNC1CC1)NC[C@@H]1CCC[NH2+]1 308874978 409755690 /nfs/dbraw/zinc/75/56/90/409755690.db2.gz MUURAYVVMFROBH-VIFPVBQESA-N 1 3 197.282 -0.393 20 0 ABADHO O=C(CNC1CC1)NC[C@H]1CCC[NH2+]1 308874977 409755896 /nfs/dbraw/zinc/75/58/96/409755896.db2.gz MUURAYVVMFROBH-SECBINFHSA-N 1 3 197.282 -0.393 20 0 ABADHO O=C(CNC1CC1)NCC[NH2+]C1CC1 308867546 409756011 /nfs/dbraw/zinc/75/60/11/409756011.db2.gz GPYYLNQFHMLZQR-UHFFFAOYSA-N 1 3 197.282 -0.393 20 0 ABADHO C[NH2+][C@@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C 662772860 409756078 /nfs/dbraw/zinc/75/60/78/409756078.db2.gz HHHCROBLKFHLPY-XHNCKOQMSA-N 1 3 199.298 -0.197 20 0 ABADHO C[NH2+]CCNC(=O)CN(C)C(C)C 308856344 409756081 /nfs/dbraw/zinc/75/60/81/409756081.db2.gz PXPFVMNBJZFMNY-UHFFFAOYSA-N 1 3 187.287 -0.338 20 0 ABADHO CCCN(C)CC(=O)NCC[NH2+]C 308866670 409756494 /nfs/dbraw/zinc/75/64/94/409756494.db2.gz FXXAVBWABDJYEH-UHFFFAOYSA-N 1 3 187.287 -0.336 20 0 ABADHO CC[NH2+]CCNC(=O)[C@H]1NCC1(C)C 308883777 409756602 /nfs/dbraw/zinc/75/66/02/409756602.db2.gz RQLHHBLSQSIUTL-MRVPVSSYSA-N 1 3 199.298 -0.290 20 0 ABADHO NCC(=O)NC[C@H]([NH3+])c1ccccc1 308868656 409756669 /nfs/dbraw/zinc/75/66/69/409756669.db2.gz XYWHZSLSTPFYDT-VIFPVBQESA-N 1 3 193.250 -0.239 20 0 ABADHO CC(C)[C@H](N)C(=O)NCC1([NH3+])CCC1 308853138 409757036 /nfs/dbraw/zinc/75/70/36/409757036.db2.gz RWDKNRMXBLTFNM-QMMMGPOBSA-N 1 3 199.298 -0.033 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] 662823964 409757521 /nfs/dbraw/zinc/75/75/21/409757521.db2.gz UKSYTIJUVSWFQQ-CSMHCCOUSA-N 1 3 187.287 -0.164 20 0 ABADHO CC(C)[C@@H](N)C(=O)NCC1([NH3+])CCC1 308853137 409757613 /nfs/dbraw/zinc/75/76/13/409757613.db2.gz RWDKNRMXBLTFNM-MRVPVSSYSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[NH2+]CCNC(=O)[C@@H]1NCC1(C)C 308883779 409757763 /nfs/dbraw/zinc/75/77/63/409757763.db2.gz RQLHHBLSQSIUTL-QMMMGPOBSA-N 1 3 199.298 -0.290 20 0 ABADHO CN(CC(C)(C)[NH3+])C(=O)C1(N)CC1 662843525 409757787 /nfs/dbraw/zinc/75/77/87/409757787.db2.gz SEZUKMSIHDFYAF-UHFFFAOYSA-N 1 3 185.271 -0.327 20 0 ABADHO CC(C)[C@@H](N)C(=O)NCC[NH2+]C1CC1 308865729 409757858 /nfs/dbraw/zinc/75/78/58/409757858.db2.gz WVKGKMFOBIDOLJ-SECBINFHSA-N 1 3 199.298 -0.162 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] 662823965 409758025 /nfs/dbraw/zinc/75/80/25/409758025.db2.gz UKSYTIJUVSWFQQ-FXQIFTODSA-N 1 3 187.287 -0.164 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H](C)C[C@H](C)[NH3+] 662823967 409758038 /nfs/dbraw/zinc/75/80/38/409758038.db2.gz UKSYTIJUVSWFQQ-RNJXMRFFSA-N 1 3 187.287 -0.164 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] 662823966 409758110 /nfs/dbraw/zinc/75/81/10/409758110.db2.gz UKSYTIJUVSWFQQ-PRJMDXOYSA-N 1 3 187.287 -0.164 20 0 ABADHO CN(CC(C)(C)[NH3+])C(=O)CN 662842956 409758152 /nfs/dbraw/zinc/75/81/52/409758152.db2.gz NNAXMGANLUPNNP-UHFFFAOYSA-N 1 3 159.233 -0.859 20 0 ABADHO CCCN(C)CC(=O)NC[C@H](C)[NH3+] 308920435 409758785 /nfs/dbraw/zinc/75/87/85/409758785.db2.gz CAZKQZJFIWMRJT-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO CN(C(=O)CNC1CC1)[C@@H]1CC[NH2+]C1 308892384 409758989 /nfs/dbraw/zinc/75/89/89/409758989.db2.gz XMGNBDLDWJTYDB-SECBINFHSA-N 1 3 197.282 -0.441 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 308918070 409759129 /nfs/dbraw/zinc/75/91/29/409759129.db2.gz BPRZDHPLWOHOHT-IUCAKERBSA-N 1 3 199.298 -0.018 20 0 ABADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 308922369 409759386 /nfs/dbraw/zinc/75/93/86/409759386.db2.gz CLDJTRKNVFWNOU-IUCAKERBSA-N 1 3 199.298 -0.162 20 0 ABADHO CCCN(C(=O)CNC)[C@@H]1CC[NH2+]C1 308946573 409759503 /nfs/dbraw/zinc/75/95/03/409759503.db2.gz SIMXHCKGGPZIDO-SECBINFHSA-N 1 3 199.298 -0.194 20 0 ABADHO CN(C(=O)CNC1CC1)[C@H]1CC[NH2+]C1 308892386 409760984 /nfs/dbraw/zinc/76/09/84/409760984.db2.gz XMGNBDLDWJTYDB-VIFPVBQESA-N 1 3 197.282 -0.441 20 0 ABADHO CCCN(C)CC(=O)NC[C@@H](C)[NH3+] 308920434 409760082 /nfs/dbraw/zinc/76/00/82/409760082.db2.gz CAZKQZJFIWMRJT-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO CCCN(C(=O)CN)C1CC[NH2+]CC1 308885376 409760198 /nfs/dbraw/zinc/76/01/98/409760198.db2.gz VQHVNUVJFYCOCS-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 308922367 409760219 /nfs/dbraw/zinc/76/02/19/409760219.db2.gz CLDJTRKNVFWNOU-DTWKUNHWSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](CCNC(=O)CN)[NH+](C)C 662860390 409760230 /nfs/dbraw/zinc/76/02/30/409760230.db2.gz RLKBWTOQNUYUOE-SSDOTTSWSA-N 1 3 173.260 -0.599 20 0 ABADHO O=C(CNC1CC1)N[C@@H]1CCC[NH2+]C1 308887272 409760241 /nfs/dbraw/zinc/76/02/41/409760241.db2.gz UNJXJTXIJLIAGU-SECBINFHSA-N 1 3 197.282 -0.393 20 0 ABADHO CNCC(=O)NCC1(C)CC[NH2+]CC1 308895630 409760287 /nfs/dbraw/zinc/76/02/87/409760287.db2.gz ZSTRWXVBBIQSRN-UHFFFAOYSA-N 1 3 199.298 -0.288 20 0 ABADHO O=C(CNC1CC1)N[C@H]1CCC[NH2+]C1 308887273 409760398 /nfs/dbraw/zinc/76/03/98/409760398.db2.gz UNJXJTXIJLIAGU-VIFPVBQESA-N 1 3 197.282 -0.393 20 0 ABADHO NC1(C(=O)NCC2([NH3+])CCCC2)CC1 662865465 409760476 /nfs/dbraw/zinc/76/04/76/409760476.db2.gz RVHCPNRKXHEQRJ-UHFFFAOYSA-N 1 3 197.282 -0.135 20 0 ABADHO O=C(CNC1CC1)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 308888502 409760944 /nfs/dbraw/zinc/76/09/44/409760944.db2.gz VKHGZSQBTCLGEP-MBTKJCJQSA-N 1 3 195.266 -0.928 20 0 ABADHO C[C@@H](CCNC(=O)CN)[NH+](C)C 662860394 409761173 /nfs/dbraw/zinc/76/11/73/409761173.db2.gz RLKBWTOQNUYUOE-ZETCQYMHSA-N 1 3 173.260 -0.599 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 308918069 409761296 /nfs/dbraw/zinc/76/12/96/409761296.db2.gz BPRZDHPLWOHOHT-BDAKNGLRSA-N 1 3 199.298 -0.018 20 0 ABADHO CCCN(C(=O)CNC)[C@H]1CC[NH2+]C1 308946574 409761463 /nfs/dbraw/zinc/76/14/63/409761463.db2.gz SIMXHCKGGPZIDO-VIFPVBQESA-N 1 3 199.298 -0.194 20 0 ABADHO C[C@@H](CCNC(=O)C1(N)CC1)[NH+](C)C 662857346 409761681 /nfs/dbraw/zinc/76/16/81/409761681.db2.gz AHQMWGLAWMOTGU-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO NCC(=O)NCC1([NH3+])CCCC1 662865246 409761739 /nfs/dbraw/zinc/76/17/39/409761739.db2.gz MUOBYRSHXCPWJI-UHFFFAOYSA-N 1 3 171.244 -0.667 20 0 ABADHO C[C@H](CCNC(=O)C1(N)CC1)[NH+](C)C 662857345 409761744 /nfs/dbraw/zinc/76/17/44/409761744.db2.gz AHQMWGLAWMOTGU-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO CCC[NH2+]CCNC(=O)CNC1CC1 308951404 409762253 /nfs/dbraw/zinc/76/22/53/409762253.db2.gz VDJVLVVYYUFZPU-UHFFFAOYSA-N 1 3 199.298 -0.146 20 0 ABADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 308994412 409762400 /nfs/dbraw/zinc/76/24/00/409762400.db2.gz MAUFPKFJHSJDJX-DTWKUNHWSA-N 1 3 199.298 -0.223 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 309006851 409762497 /nfs/dbraw/zinc/76/24/97/409762497.db2.gz QDUMECYWCNKMQF-DTWKUNHWSA-N 1 3 199.298 -0.079 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)C(C)(C)N 662953309 409762609 /nfs/dbraw/zinc/76/26/09/409762609.db2.gz LZYZEOFOIVIGJA-LURJTMIESA-N 1 3 173.260 -0.552 20 0 ABADHO CC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C 308985799 409762779 /nfs/dbraw/zinc/76/27/79/409762779.db2.gz JQUBBVZTWBIFID-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)C1(N)CC1 662953761 409762823 /nfs/dbraw/zinc/76/28/23/409762823.db2.gz PVNTYHMCRHAIQP-ZCFIWIBFSA-N 1 3 171.244 -0.798 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1 662953455 409762863 /nfs/dbraw/zinc/76/28/63/409762863.db2.gz NVAIETKZFJLKJU-DTWKUNHWSA-N 1 3 199.298 -0.147 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)N 662953373 409763036 /nfs/dbraw/zinc/76/30/36/409763036.db2.gz NEIOYYPJUPQPCP-RITPCOANSA-N 1 3 159.233 -0.942 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 309006850 409762968 /nfs/dbraw/zinc/76/29/68/409762968.db2.gz QDUMECYWCNKMQF-BDAKNGLRSA-N 1 3 199.298 -0.079 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@H](N)C(C)C 662952364 409762997 /nfs/dbraw/zinc/76/29/97/409762997.db2.gz DHFBNBIPKHMRNJ-JGVFFNPUSA-N 1 3 187.287 -0.306 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)C(C)C 662952366 409763103 /nfs/dbraw/zinc/76/31/03/409763103.db2.gz DHFBNBIPKHMRNJ-YUMQZZPRSA-N 1 3 187.287 -0.306 20 0 ABADHO CC[C@H](N)C(=O)NCC1CC[NH2+]CC1 308978557 409763151 /nfs/dbraw/zinc/76/31/51/409763151.db2.gz HIDIDZZBWKKEPQ-VIFPVBQESA-N 1 3 199.298 -0.161 20 0 ABADHO CCC[C@H](N)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 309009327 409763179 /nfs/dbraw/zinc/76/31/79/409763179.db2.gz REODXVWUTVJMCE-UYXSQOIJSA-N 1 3 197.282 -0.552 20 0 ABADHO CNCC(=O)N1CCCC[C@H]1CC[NH3+] 308998303 409763206 /nfs/dbraw/zinc/76/32/06/409763206.db2.gz NEVAJGBVRBFRTD-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO CC[C@@H](N)C(=O)N1CCC[C@H]1C[NH2+]C 308985797 409763305 /nfs/dbraw/zinc/76/33/05/409763305.db2.gz JQUBBVZTWBIFID-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)N 662953370 409763357 /nfs/dbraw/zinc/76/33/57/409763357.db2.gz NEIOYYPJUPQPCP-NTSWFWBYSA-N 1 3 159.233 -0.942 20 0 ABADHO CCCN(C(=O)[C@@H](C)N)[C@H]1CC[NH2+]C1 309007634 409763458 /nfs/dbraw/zinc/76/34/58/409763458.db2.gz QJZKQPMUGBVJEW-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@H](C)N 662953374 409763472 /nfs/dbraw/zinc/76/34/72/409763472.db2.gz NEIOYYPJUPQPCP-WDSKDSINSA-N 1 3 159.233 -0.942 20 0 ABADHO CC[C@H](N)C(=O)N1CCC[C@H]1C[NH2+]C 308985798 409763551 /nfs/dbraw/zinc/76/35/51/409763551.db2.gz JQUBBVZTWBIFID-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)C(C)C 662952365 409763617 /nfs/dbraw/zinc/76/36/17/409763617.db2.gz DHFBNBIPKHMRNJ-SFYZADRCSA-N 1 3 187.287 -0.306 20 0 ABADHO CC[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 309008547 409763685 /nfs/dbraw/zinc/76/36/85/409763685.db2.gz QVJHEORUPOAYJO-SECBINFHSA-N 1 3 197.282 -0.240 20 0 ABADHO C[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 309006852 409763786 /nfs/dbraw/zinc/76/37/86/409763786.db2.gz QDUMECYWCNKMQF-IUCAKERBSA-N 1 3 199.298 -0.079 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)C1(N)CCCC1 662953299 409763877 /nfs/dbraw/zinc/76/38/77/409763877.db2.gz LZAZPBKZBJNBTM-MRVPVSSYSA-N 1 3 199.298 -0.018 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1 662953456 409763907 /nfs/dbraw/zinc/76/39/07/409763907.db2.gz NVAIETKZFJLKJU-IUCAKERBSA-N 1 3 199.298 -0.147 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 308983221 409763942 /nfs/dbraw/zinc/76/39/42/409763942.db2.gz IVUINNRWJUYRCW-CIUDSAMLSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 309006853 409763981 /nfs/dbraw/zinc/76/39/81/409763981.db2.gz QDUMECYWCNKMQF-RKDXNWHRSA-N 1 3 199.298 -0.079 20 0 ABADHO CC[C@H](N)C(=O)NCC1=CC[NH2+]CC1 309008548 409764026 /nfs/dbraw/zinc/76/40/26/409764026.db2.gz QVJHEORUPOAYJO-VIFPVBQESA-N 1 3 197.282 -0.240 20 0 ABADHO CC[C@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C 308985796 409764117 /nfs/dbraw/zinc/76/41/17/409764117.db2.gz JQUBBVZTWBIFID-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO CNCC(=O)N1CCCC[C@@H]1CC[NH3+] 308998302 409764172 /nfs/dbraw/zinc/76/41/72/409764172.db2.gz NEVAJGBVRBFRTD-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H](C)C[NH2+]C 662953756 409764282 /nfs/dbraw/zinc/76/42/82/409764282.db2.gz PQSCLQHTJZXSIH-BQBZGAKWSA-N 1 3 173.260 -0.552 20 0 ABADHO CC[C@@H](N)C(=O)NCC1CC[NH2+]CC1 308978555 409764320 /nfs/dbraw/zinc/76/43/20/409764320.db2.gz HIDIDZZBWKKEPQ-SECBINFHSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 309012506 409764363 /nfs/dbraw/zinc/76/43/63/409764363.db2.gz SIUVZNMDSJDSHI-IUCAKERBSA-N 1 3 199.298 -0.161 20 0 ABADHO CCC[C@@H](N)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 309009328 409764406 /nfs/dbraw/zinc/76/44/06/409764406.db2.gz REODXVWUTVJMCE-XAVMHZPKSA-N 1 3 197.282 -0.552 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)C1(N)CCCC1 662953300 409764428 /nfs/dbraw/zinc/76/44/28/409764428.db2.gz LZAZPBKZBJNBTM-QMMMGPOBSA-N 1 3 199.298 -0.018 20 0 ABADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]([NH3+])C1 309009676 409764430 /nfs/dbraw/zinc/76/44/30/409764430.db2.gz RGLQSRCIEUANDW-DTWKUNHWSA-N 1 3 199.298 -0.081 20 0 ABADHO C[NH2+]CCC1CCN(C(=O)CN)CC1 308999519 409764459 /nfs/dbraw/zinc/76/44/59/409764459.db2.gz NPUNCSZOCLCQRF-UHFFFAOYSA-N 1 3 199.298 -0.207 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)NCC1C[NH2+]C1 308991032 409764497 /nfs/dbraw/zinc/76/44/97/409764497.db2.gz LDFXQRBBAIQZLT-CBAPKCEASA-N 1 3 199.298 -0.305 20 0 ABADHO CC[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 309012505 409764511 /nfs/dbraw/zinc/76/45/11/409764511.db2.gz SIUVZNMDSJDSHI-BDAKNGLRSA-N 1 3 199.298 -0.161 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)N 662953371 409764523 /nfs/dbraw/zinc/76/45/23/409764523.db2.gz NEIOYYPJUPQPCP-PHDIDXHHSA-N 1 3 159.233 -0.942 20 0 ABADHO CC[C@H](N)C(=O)N[C@H](C)C[NH2+]C 662953757 409764580 /nfs/dbraw/zinc/76/45/80/409764580.db2.gz PQSCLQHTJZXSIH-RQJHMYQMSA-N 1 3 173.260 -0.552 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)C1(N)CC1 662953760 409764613 /nfs/dbraw/zinc/76/46/13/409764613.db2.gz PVNTYHMCRHAIQP-LURJTMIESA-N 1 3 171.244 -0.798 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1 662953453 409764701 /nfs/dbraw/zinc/76/47/01/409764701.db2.gz NVAIETKZFJLKJU-BDAKNGLRSA-N 1 3 199.298 -0.147 20 0 ABADHO CCCC[N@H+](C)CCNC(=O)CN 308973261 409764746 /nfs/dbraw/zinc/76/47/46/409764746.db2.gz FVVSLFHVMSXOJP-UHFFFAOYSA-N 1 3 187.287 -0.207 20 0 ABADHO CCCC[N@@H+](C)CCNC(=O)CN 308973261 409764753 /nfs/dbraw/zinc/76/47/53/409764753.db2.gz FVVSLFHVMSXOJP-UHFFFAOYSA-N 1 3 187.287 -0.207 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 308983228 409764778 /nfs/dbraw/zinc/76/47/78/409764778.db2.gz IVUINNRWJUYRCW-VGMNWLOBSA-N 1 3 199.298 -0.162 20 0 ABADHO [NH3+]C[C@H]1CCCN1C(=O)CNC1CC1 309008193 409764809 /nfs/dbraw/zinc/76/48/09/409764809.db2.gz QSGWAVJFXDYGJX-SECBINFHSA-N 1 3 197.282 -0.312 20 0 ABADHO CCCN(C(=O)[C@@H](C)N)[C@@H]1CC[NH2+]C1 309007635 409764858 /nfs/dbraw/zinc/76/48/58/409764858.db2.gz QJZKQPMUGBVJEW-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N 662953310 409765000 /nfs/dbraw/zinc/76/50/00/409765000.db2.gz LZYZEOFOIVIGJA-ZCFIWIBFSA-N 1 3 173.260 -0.552 20 0 ABADHO CC(C)[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1 308994414 409765027 /nfs/dbraw/zinc/76/50/27/409765027.db2.gz MAUFPKFJHSJDJX-RKDXNWHRSA-N 1 3 199.298 -0.223 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)NCC1C[NH2+]C1 308991031 409765040 /nfs/dbraw/zinc/76/50/40/409765040.db2.gz LDFXQRBBAIQZLT-APPZFPTMSA-N 1 3 199.298 -0.305 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](N)C(C)C 662952363 409765104 /nfs/dbraw/zinc/76/51/04/409765104.db2.gz DHFBNBIPKHMRNJ-HTQZYQBOSA-N 1 3 187.287 -0.306 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1 662953458 409765145 /nfs/dbraw/zinc/76/51/45/409765145.db2.gz NVAIETKZFJLKJU-RKDXNWHRSA-N 1 3 199.298 -0.147 20 0 ABADHO CC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 309020782 409765797 /nfs/dbraw/zinc/76/57/97/409765797.db2.gz WVJUSUYOZBFBMI-PSASIEDQSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 309022294 409765891 /nfs/dbraw/zinc/76/58/91/409765891.db2.gz XWZZYIQMZZAEFM-RKDXNWHRSA-N 1 3 199.298 -0.161 20 0 ABADHO CN[C@@H](C)C(=O)N[C@H](C)C[NH2+]C 662970118 409765904 /nfs/dbraw/zinc/76/59/04/409765904.db2.gz USZSEIWCJZLGTA-RQJHMYQMSA-N 1 3 173.260 -0.682 20 0 ABADHO C[NH2+]CCCNC(=O)[C@H]1NCC1(C)C 309078146 409765940 /nfs/dbraw/zinc/76/59/40/409765940.db2.gz MYZDRSWNHIBSQX-MRVPVSSYSA-N 1 3 199.298 -0.290 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@H]1NCC1(C)C 662964995 409766078 /nfs/dbraw/zinc/76/60/78/409766078.db2.gz KLHXKNJNKKWEME-JGVFFNPUSA-N 1 3 199.298 -0.292 20 0 ABADHO C[NH2+]CCCNC(=O)[C@@H]1NCC1(C)C 309078147 409766099 /nfs/dbraw/zinc/76/60/99/409766099.db2.gz MYZDRSWNHIBSQX-QMMMGPOBSA-N 1 3 199.298 -0.290 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 309022293 409766120 /nfs/dbraw/zinc/76/61/20/409766120.db2.gz XWZZYIQMZZAEFM-IUCAKERBSA-N 1 3 199.298 -0.161 20 0 ABADHO [NH3+]C[C@@H](NC(=O)CNC1CC1)C1CC1 309083144 409766185 /nfs/dbraw/zinc/76/61/85/409766185.db2.gz SNRRPUAYTNQAFN-SECBINFHSA-N 1 3 197.282 -0.408 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H](C)C[NH2+]C 662965355 409766188 /nfs/dbraw/zinc/76/61/88/409766188.db2.gz PQSCLQHTJZXSIH-RNFRBKRXSA-N 1 3 173.260 -0.552 20 0 ABADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH3+] 309083901 409766310 /nfs/dbraw/zinc/76/63/10/409766310.db2.gz UQAMJJKYNBJWFP-MRVPVSSYSA-N 1 3 187.287 -0.210 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)CNC(C)C 662968818 409766473 /nfs/dbraw/zinc/76/64/73/409766473.db2.gz JOSOWYHOGOITRF-MRVPVSSYSA-N 1 3 187.287 -0.292 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](N)C1CCC1 662967872 409766493 /nfs/dbraw/zinc/76/64/93/409766493.db2.gz OVFSOPDCYLTUGX-VXNVDRBHSA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)C1CCC1 662967869 409766582 /nfs/dbraw/zinc/76/65/82/409766582.db2.gz OVFSOPDCYLTUGX-APPZFPTMSA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)C1(N)CCC1 662965650 409766618 /nfs/dbraw/zinc/76/66/18/409766618.db2.gz RYBBPGPDBFKGCL-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)C1(N)CCC1 662965649 409766689 /nfs/dbraw/zinc/76/66/89/409766689.db2.gz RYBBPGPDBFKGCL-SSDOTTSWSA-N 1 3 185.271 -0.408 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)CNC1CC1 662964647 409766748 /nfs/dbraw/zinc/76/67/48/409766748.db2.gz DFFMGFQUYQDORC-ZETCQYMHSA-N 1 3 185.271 -0.538 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@H](N)C1CCC1 662967871 409767016 /nfs/dbraw/zinc/76/70/16/409767016.db2.gz OVFSOPDCYLTUGX-IONNQARKSA-N 1 3 199.298 -0.162 20 0 ABADHO CNCC(=O)N1CCC[C@@H](CC[NH3+])C1 309014791 409767139 /nfs/dbraw/zinc/76/71/39/409767139.db2.gz TZLYHCBIRWANAD-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)CNC(C)C 662968819 409767217 /nfs/dbraw/zinc/76/72/17/409767217.db2.gz JOSOWYHOGOITRF-QMMMGPOBSA-N 1 3 187.287 -0.292 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 309020725 409767255 /nfs/dbraw/zinc/76/72/55/409767255.db2.gz WTBPPZSJMXYHHH-YIZRAAEISA-N 1 3 199.298 -0.081 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@H]1NCC1(C)C 662964994 409767294 /nfs/dbraw/zinc/76/72/94/409767294.db2.gz KLHXKNJNKKWEME-HTQZYQBOSA-N 1 3 199.298 -0.292 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@@H]1NCC1(C)C 662964999 409767356 /nfs/dbraw/zinc/76/73/56/409767356.db2.gz KLHXKNJNKKWEME-YUMQZZPRSA-N 1 3 199.298 -0.292 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)CNC1CC1 662964646 409767408 /nfs/dbraw/zinc/76/74/08/409767408.db2.gz DFFMGFQUYQDORC-SSDOTTSWSA-N 1 3 185.271 -0.538 20 0 ABADHO C[NH2+]CCCNC(=O)[C@@H]1CCCCN1 309084715 409767543 /nfs/dbraw/zinc/76/75/43/409767543.db2.gz VVBGRTZIZGHRIM-VIFPVBQESA-N 1 3 199.298 -0.146 20 0 ABADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1NCC1(C)C 662964997 409767590 /nfs/dbraw/zinc/76/75/90/409767590.db2.gz KLHXKNJNKKWEME-SFYZADRCSA-N 1 3 199.298 -0.292 20 0 ABADHO CC[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 309020784 409767632 /nfs/dbraw/zinc/76/76/32/409767632.db2.gz WVJUSUYOZBFBMI-WCBMZHEXSA-N 1 3 199.298 -0.033 20 0 ABADHO CC(C)[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 309092902 409767694 /nfs/dbraw/zinc/76/76/94/409767694.db2.gz BTUCQJUCQPNGJE-IUCAKERBSA-N 1 3 199.298 -0.210 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@H](C)C[NH2+]C 662970114 409767717 /nfs/dbraw/zinc/76/77/17/409767717.db2.gz USZSEIWCJZLGTA-BQBZGAKWSA-N 1 3 173.260 -0.682 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H](C)C[NH2+]C 662965354 409767795 /nfs/dbraw/zinc/76/77/95/409767795.db2.gz PQSCLQHTJZXSIH-NKWVEPMBSA-N 1 3 173.260 -0.552 20 0 ABADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)C1CCC1 662967870 409767911 /nfs/dbraw/zinc/76/79/11/409767911.db2.gz OVFSOPDCYLTUGX-CBAPKCEASA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+]CCCNC(=O)[C@H]1CCCCN1 309084714 409767961 /nfs/dbraw/zinc/76/79/61/409767961.db2.gz VVBGRTZIZGHRIM-SECBINFHSA-N 1 3 199.298 -0.146 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 309092491 409767982 /nfs/dbraw/zinc/76/79/82/409767982.db2.gz BPRZDHPLWOHOHT-DTWKUNHWSA-N 1 3 199.298 -0.018 20 0 ABADHO CC(C)[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 309092901 409768288 /nfs/dbraw/zinc/76/82/88/409768288.db2.gz BTUCQJUCQPNGJE-BDAKNGLRSA-N 1 3 199.298 -0.210 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 309020783 409768351 /nfs/dbraw/zinc/76/83/51/409768351.db2.gz WVJUSUYOZBFBMI-SCZZXKLOSA-N 1 3 199.298 -0.033 20 0 ABADHO CCCN(C)CC(=O)N[C@H](C)C[NH3+] 309080418 409768493 /nfs/dbraw/zinc/76/84/93/409768493.db2.gz OUJWOZRIDHNEJQ-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 309020785 409768520 /nfs/dbraw/zinc/76/85/20/409768520.db2.gz WVJUSUYOZBFBMI-WPRPVWTQSA-N 1 3 199.298 -0.033 20 0 ABADHO CNCC(=O)N1CCC[C@H](CC[NH3+])C1 309014790 409768580 /nfs/dbraw/zinc/76/85/80/409768580.db2.gz TZLYHCBIRWANAD-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 309092492 409768598 /nfs/dbraw/zinc/76/85/98/409768598.db2.gz BPRZDHPLWOHOHT-RKDXNWHRSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 309022291 409768611 /nfs/dbraw/zinc/76/86/11/409768611.db2.gz XWZZYIQMZZAEFM-BDAKNGLRSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 309022292 409768673 /nfs/dbraw/zinc/76/86/73/409768673.db2.gz XWZZYIQMZZAEFM-DTWKUNHWSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 309020717 409768695 /nfs/dbraw/zinc/76/86/95/409768695.db2.gz WTBPPZSJMXYHHH-HLTSFMKQSA-N 1 3 199.298 -0.081 20 0 ABADHO [NH3+]C[C@H](NC(=O)CNC1CC1)C1CC1 309083145 409768706 /nfs/dbraw/zinc/76/87/06/409768706.db2.gz SNRRPUAYTNQAFN-VIFPVBQESA-N 1 3 197.282 -0.408 20 0 ABADHO C[C@@]1(NC(=O)CNC2CC2)CC[NH2+]C1 663010971 409769111 /nfs/dbraw/zinc/76/91/11/409769111.db2.gz NFDJYXLXXGXHIX-SNVBAGLBSA-N 1 3 197.282 -0.393 20 0 ABADHO C[C@]1(NC(=O)CNC2CC2)CC[NH2+]C1 663010970 409769151 /nfs/dbraw/zinc/76/91/51/409769151.db2.gz NFDJYXLXXGXHIX-JTQLQIEISA-N 1 3 197.282 -0.393 20 0 ABADHO CN[C@@H](C)C(=O)N[C@@]1(C)CC[NH2+]C1 663013692 409769207 /nfs/dbraw/zinc/76/92/07/409769207.db2.gz FXBSAEYLJWLQDK-CBAPKCEASA-N 1 3 185.271 -0.538 20 0 ABADHO C[C@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 663002994 409769218 /nfs/dbraw/zinc/76/92/18/409769218.db2.gz BOSKKQJJVKCCNS-POYBYMJQSA-N 1 3 171.244 -0.798 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 663009619 409769372 /nfs/dbraw/zinc/76/93/72/409769372.db2.gz GHJGGVMOMFJPGQ-APPZFPTMSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 663002996 409769379 /nfs/dbraw/zinc/76/93/79/409769379.db2.gz BOSKKQJJVKCCNS-XPUUQOCRSA-N 1 3 171.244 -0.798 20 0 ABADHO CC(C)NCC(=O)N[C@]1(C)CC[NH2+]C1 663015596 409769398 /nfs/dbraw/zinc/76/93/98/409769398.db2.gz XDKHOAGKMOKQEY-SNVBAGLBSA-N 1 3 199.298 -0.147 20 0 ABADHO C[C@@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 663002995 409769593 /nfs/dbraw/zinc/76/95/93/409769593.db2.gz BOSKKQJJVKCCNS-SVRRBLITSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 663002993 409769584 /nfs/dbraw/zinc/76/95/84/409769584.db2.gz BOSKKQJJVKCCNS-HTRCEHHLSA-N 1 3 171.244 -0.798 20 0 ABADHO CC[C@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 663003463 409769618 /nfs/dbraw/zinc/76/96/18/409769618.db2.gz GHJGGVMOMFJPGQ-CBAPKCEASA-N 1 3 185.271 -0.408 20 0 ABADHO CNCC(=O)N[C@@]1(C)CC[NH2+]C1 663004267 409769632 /nfs/dbraw/zinc/76/96/32/409769632.db2.gz NCZNIQHDPFIXIN-QMMMGPOBSA-N 1 3 171.244 -0.926 20 0 ABADHO CN[C@@H](C)C(=O)N[C@]1(C)CC[NH2+]C1 663013693 409769668 /nfs/dbraw/zinc/76/96/68/409769668.db2.gz FXBSAEYLJWLQDK-IONNQARKSA-N 1 3 185.271 -0.538 20 0 ABADHO CC[C@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 663003464 409770009 /nfs/dbraw/zinc/77/00/09/409770009.db2.gz GHJGGVMOMFJPGQ-IONNQARKSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@H]1CCCCN1 309146432 409770179 /nfs/dbraw/zinc/77/01/79/409770179.db2.gz VJTIMXCMCDSAOR-RKDXNWHRSA-N 1 3 199.298 -0.018 20 0 ABADHO CNCC(=O)N[C@]1(C)CC[NH2+]C1 663004266 409770239 /nfs/dbraw/zinc/77/02/39/409770239.db2.gz NCZNIQHDPFIXIN-MRVPVSSYSA-N 1 3 171.244 -0.926 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@H]1NCC1(C)C 309162150 409770461 /nfs/dbraw/zinc/77/04/61/409770461.db2.gz ZMZBDQPNMCIUIY-JGVFFNPUSA-N 1 3 199.298 -0.305 20 0 ABADHO CC(C)NCC(=O)N[C@@]1(C)CC[NH2+]C1 663015595 409770495 /nfs/dbraw/zinc/77/04/95/409770495.db2.gz XDKHOAGKMOKQEY-JTQLQIEISA-N 1 3 199.298 -0.147 20 0 ABADHO CC[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 309120738 409770508 /nfs/dbraw/zinc/77/05/08/409770508.db2.gz NRSTYDKBIYJPAZ-SECBINFHSA-N 1 3 199.298 -0.066 20 0 ABADHO CC(C)[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 309117109 409770572 /nfs/dbraw/zinc/77/05/72/409770572.db2.gz MAUFPKFJHSJDJX-BDAKNGLRSA-N 1 3 199.298 -0.223 20 0 ABADHO CC[C@@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 663009621 409770633 /nfs/dbraw/zinc/77/06/33/409770633.db2.gz GHJGGVMOMFJPGQ-VXNVDRBHSA-N 1 3 185.271 -0.408 20 0 ABADHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 309117306 409770790 /nfs/dbraw/zinc/77/07/90/409770790.db2.gz MAUFPKFJHSJDJX-IUCAKERBSA-N 1 3 199.298 -0.223 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@H]1NCC1(C)C 309162149 409770906 /nfs/dbraw/zinc/77/09/06/409770906.db2.gz ZMZBDQPNMCIUIY-HTQZYQBOSA-N 1 3 199.298 -0.305 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 309148886 409770956 /nfs/dbraw/zinc/77/09/56/409770956.db2.gz VWPSFISIXCKWKA-IWSPIJDZSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCCN1 309146429 409771012 /nfs/dbraw/zinc/77/10/12/409771012.db2.gz VJTIMXCMCDSAOR-BDAKNGLRSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)[C@@H]1NCC1(C)C 309162152 409771220 /nfs/dbraw/zinc/77/12/20/409771220.db2.gz ZMZBDQPNMCIUIY-YUMQZZPRSA-N 1 3 199.298 -0.305 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)[C@@H]1NCC1(C)C 309162151 409771287 /nfs/dbraw/zinc/77/12/87/409771287.db2.gz ZMZBDQPNMCIUIY-SFYZADRCSA-N 1 3 199.298 -0.305 20 0 ABADHO CN(CC(C)(C)C[NH3+])C(=O)C1(N)CC1 309113759 409771396 /nfs/dbraw/zinc/77/13/96/409771396.db2.gz KOQAMJXPIFUOEP-UHFFFAOYSA-N 1 3 199.298 -0.079 20 0 ABADHO CCC[C@@](C)(N)C(=O)NCC1C[NH2+]C1 309149388 409771428 /nfs/dbraw/zinc/77/14/28/409771428.db2.gz VZTQRDUQKYUTCX-SNVBAGLBSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@H]1CCCCN1 309146430 409771479 /nfs/dbraw/zinc/77/14/79/409771479.db2.gz VJTIMXCMCDSAOR-DTWKUNHWSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 309148885 409771580 /nfs/dbraw/zinc/77/15/80/409771580.db2.gz VWPSFISIXCKWKA-HRDYMLBCSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 309114859 409771594 /nfs/dbraw/zinc/77/15/94/409771594.db2.gz LALVJABWLPWREK-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 309120739 409771637 /nfs/dbraw/zinc/77/16/37/409771637.db2.gz NRSTYDKBIYJPAZ-VIFPVBQESA-N 1 3 199.298 -0.066 20 0 ABADHO CCC[C@](C)(N)C(=O)NCC1C[NH2+]C1 309149387 409771841 /nfs/dbraw/zinc/77/18/41/409771841.db2.gz VZTQRDUQKYUTCX-JTQLQIEISA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCCN1 309146431 409771910 /nfs/dbraw/zinc/77/19/10/409771910.db2.gz VJTIMXCMCDSAOR-IUCAKERBSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 309127377 409771930 /nfs/dbraw/zinc/77/19/30/409771930.db2.gz QFUXZBRSRTYJJX-SECBINFHSA-N 1 3 199.298 -0.079 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 309148887 409772042 /nfs/dbraw/zinc/77/20/42/409772042.db2.gz VWPSFISIXCKWKA-XHNCKOQMSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 309114860 409772384 /nfs/dbraw/zinc/77/23/84/409772384.db2.gz LALVJABWLPWREK-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 309148884 409772425 /nfs/dbraw/zinc/77/24/25/409772425.db2.gz VWPSFISIXCKWKA-DJLDLDEBSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N1CCC(C[NH3+])CC1 309127378 409772452 /nfs/dbraw/zinc/77/24/52/409772452.db2.gz QFUXZBRSRTYJJX-VIFPVBQESA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C 309386967 409773623 /nfs/dbraw/zinc/77/36/23/409773623.db2.gz ASCYCBRJERMNSH-CBAPKCEASA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C 309336163 409774551 /nfs/dbraw/zinc/77/45/51/409774551.db2.gz ASCYCBRJERMNSH-VXNVDRBHSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C 309386968 409774863 /nfs/dbraw/zinc/77/48/63/409774863.db2.gz ASCYCBRJERMNSH-IONNQARKSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C 309336159 409775512 /nfs/dbraw/zinc/77/55/12/409775512.db2.gz ASCYCBRJERMNSH-APPZFPTMSA-N 1 3 199.298 -0.210 20 0 ABADHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])C1 309645770 409775658 /nfs/dbraw/zinc/77/56/58/409775658.db2.gz VZHOECJDWXVBCP-SECBINFHSA-N 1 3 199.298 -0.112 20 0 ABADHO CCC[NH2+]CCNC(=O)[C@H](C)N 379377316 409838899 /nfs/dbraw/zinc/83/88/99/409838899.db2.gz XDFVYCJCZWFHPA-ZETCQYMHSA-N 1 3 173.260 -0.551 20 0 ABADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])C1 378753857 409798226 /nfs/dbraw/zinc/79/82/26/409798226.db2.gz WTBPPZSJMXYHHH-CIUDSAMLSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])C1 378753859 409798677 /nfs/dbraw/zinc/79/86/77/409798677.db2.gz WTBPPZSJMXYHHH-VGMNWLOBSA-N 1 3 199.298 -0.081 20 0 ABADHO C[C@@H](N)C(=O)NC(C)(C)CCC[NH3+] 378863857 409807636 /nfs/dbraw/zinc/80/76/36/409807636.db2.gz WIECVOJVLYPXKU-SSDOTTSWSA-N 1 3 187.287 -0.033 20 0 ABADHO C[C@H](N)C(=O)NC(C)(C)CCC[NH3+] 378863858 409809578 /nfs/dbraw/zinc/80/95/78/409809578.db2.gz WIECVOJVLYPXKU-ZETCQYMHSA-N 1 3 187.287 -0.033 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)CN 379328929 409826585 /nfs/dbraw/zinc/82/65/85/409826585.db2.gz RSWVZLNPOMVAQP-ZCFIWIBFSA-N 1 3 159.233 -0.941 20 0 ABADHO C[C@H](N)C(=O)N(C)CCC[NH3+] 379329919 409826626 /nfs/dbraw/zinc/82/66/26/409826626.db2.gz WNWZJKUUCMOGPJ-LURJTMIESA-N 1 3 159.233 -0.859 20 0 ABADHO CCC[NH2+]CCNC(=O)CN 379332099 409827488 /nfs/dbraw/zinc/82/74/88/409827488.db2.gz HMUHNMWESJRHPZ-UHFFFAOYSA-N 1 3 159.233 -0.939 20 0 ABADHO CNCC(=O)N(C)[C@H](C)C[NH3+] 379338760 409829347 /nfs/dbraw/zinc/82/93/47/409829347.db2.gz ORVBLGULGWCWOC-ZCFIWIBFSA-N 1 3 159.233 -0.989 20 0 ABADHO CNCC(=O)N(C)CCC[NH3+] 379339134 409829701 /nfs/dbraw/zinc/82/97/01/409829701.db2.gz XNKSETQKHHFZSW-UHFFFAOYSA-N 1 3 159.233 -0.987 20 0 ABADHO CNCC(=O)N(C)[C@@H](C)C[NH3+] 379338759 409830219 /nfs/dbraw/zinc/83/02/19/409830219.db2.gz ORVBLGULGWCWOC-LURJTMIESA-N 1 3 159.233 -0.989 20 0 ABADHO C[NH2+]C[C@H]1CCCN1C(=O)CN 379357036 409831920 /nfs/dbraw/zinc/83/19/20/409831920.db2.gz QFMCXUNFCODGGX-SSDOTTSWSA-N 1 3 171.244 -0.845 20 0 ABADHO CC[NH2+]CCCNC(=O)[C@@H](C)N 379353299 409832369 /nfs/dbraw/zinc/83/23/69/409832369.db2.gz AKEPHGLJHXIQQI-SSDOTTSWSA-N 1 3 173.260 -0.551 20 0 ABADHO C[C@H](N)C(=O)NCC[NH2+]C1CC1 379362744 409832392 /nfs/dbraw/zinc/83/23/92/409832392.db2.gz IJDYGSIQITWJAX-LURJTMIESA-N 1 3 171.244 -0.798 20 0 ABADHO C[NH2+]C[C@@H]1CCCN1C(=O)CN 379357037 409832521 /nfs/dbraw/zinc/83/25/21/409832521.db2.gz QFMCXUNFCODGGX-ZETCQYMHSA-N 1 3 171.244 -0.845 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 379360831 409832818 /nfs/dbraw/zinc/83/28/18/409832818.db2.gz DEQVSTMYNYRWOZ-IYSWYEEDSA-N 1 3 171.244 -0.813 20 0 ABADHO CNCC(=O)N1CC[C@@H]([NH2+]C)C1 379361688 409833098 /nfs/dbraw/zinc/83/30/98/409833098.db2.gz FSRBKNXOVLFHDX-SSDOTTSWSA-N 1 3 171.244 -0.974 20 0 ABADHO CN(CC(C)(C)C[NH3+])C(=O)CN 379354199 409833145 /nfs/dbraw/zinc/83/31/45/409833145.db2.gz HSXDSCRFIYKNGO-UHFFFAOYSA-N 1 3 173.260 -0.612 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)CNC 379363884 409833191 /nfs/dbraw/zinc/83/31/91/409833191.db2.gz LFOGPBKHPCOTTL-SSDOTTSWSA-N 1 3 173.260 -0.680 20 0 ABADHO CNCC(=O)N1CCC[C@@H]1C[NH3+] 379355440 409833272 /nfs/dbraw/zinc/83/32/72/409833272.db2.gz ACDCBYVYEAZCCY-SSDOTTSWSA-N 1 3 171.244 -0.845 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 379360832 409833284 /nfs/dbraw/zinc/83/32/84/409833284.db2.gz DEQVSTMYNYRWOZ-VDTYLAMSSA-N 1 3 171.244 -0.813 20 0 ABADHO CNCC(=O)N1CC[C@H]([NH2+]C)C1 379361689 409833373 /nfs/dbraw/zinc/83/33/73/409833373.db2.gz FSRBKNXOVLFHDX-ZETCQYMHSA-N 1 3 171.244 -0.974 20 0 ABADHO CC[NH2+]CCNC(=O)C(C)(C)N 379359542 409833384 /nfs/dbraw/zinc/83/33/84/409833384.db2.gz YYBBWVZSSKVZGJ-UHFFFAOYSA-N 1 3 173.260 -0.551 20 0 ABADHO C[C@H](C[NH3+])NC(=O)CNC1CC1 379354858 409833676 /nfs/dbraw/zinc/83/36/76/409833676.db2.gz JTJOXFSFAKEQPQ-ZCFIWIBFSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 379369181 409834623 /nfs/dbraw/zinc/83/46/23/409834623.db2.gz DEQVSTMYNYRWOZ-FSPLSTOPSA-N 1 3 171.244 -0.813 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)[C@H](C)N 379364860 409835052 /nfs/dbraw/zinc/83/50/52/409835052.db2.gz NSBJDXMEAXZQPA-RQJHMYQMSA-N 1 3 173.260 -0.552 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 379369178 409835247 /nfs/dbraw/zinc/83/52/47/409835247.db2.gz DEQVSTMYNYRWOZ-CAHLUQPWSA-N 1 3 171.244 -0.813 20 0 ABADHO CN(C)CCNC(=O)[C@H]1CC[NH2+]1 379367286 409835534 /nfs/dbraw/zinc/83/55/34/409835534.db2.gz UOQNSPPDTPHALY-SSDOTTSWSA-N 1 3 171.244 -0.974 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 379377125 409836764 /nfs/dbraw/zinc/83/67/64/409836764.db2.gz WIRSGHXTNCUNBN-VDTYLAMSSA-N 1 3 171.244 -0.813 20 0 ABADHO CN(CCC[NH3+])C(=O)C1(N)CC1 379375448 409837332 /nfs/dbraw/zinc/83/73/32/409837332.db2.gz POESARQIOLDVBW-UHFFFAOYSA-N 1 3 171.244 -0.715 20 0 ABADHO CNCC(=O)NCC[NH2+]C1CC1 379375143 409837590 /nfs/dbraw/zinc/83/75/90/409837590.db2.gz OOXNCSDXAYOCLS-UHFFFAOYSA-N 1 3 171.244 -0.926 20 0 ABADHO C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 379377124 409837623 /nfs/dbraw/zinc/83/76/23/409837623.db2.gz WIRSGHXTNCUNBN-IYSWYEEDSA-N 1 3 171.244 -0.813 20 0 ABADHO C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 379377123 409837894 /nfs/dbraw/zinc/83/78/94/409837894.db2.gz WIRSGHXTNCUNBN-FSPLSTOPSA-N 1 3 171.244 -0.813 20 0 ABADHO CC(C)[C@@H](N)C(=O)N[C@H](C)C[NH3+] 379374119 409838165 /nfs/dbraw/zinc/83/81/65/409838165.db2.gz MMINNHSIHPXTKS-RNFRBKRXSA-N 1 3 173.260 -0.567 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 379377122 409838500 /nfs/dbraw/zinc/83/85/00/409838500.db2.gz WIRSGHXTNCUNBN-CAHLUQPWSA-N 1 3 171.244 -0.813 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)C1(N)CC1 379377806 409838603 /nfs/dbraw/zinc/83/86/03/409838603.db2.gz YZQLPJLDTSTWCI-LURJTMIESA-N 1 3 171.244 -0.811 20 0 ABADHO CC(C)[C@H](N)C(=O)N[C@H](C)C[NH3+] 379374122 409838754 /nfs/dbraw/zinc/83/87/54/409838754.db2.gz MMINNHSIHPXTKS-RQJHMYQMSA-N 1 3 173.260 -0.567 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)C1(N)CC1 379377807 409838850 /nfs/dbraw/zinc/83/88/50/409838850.db2.gz YZQLPJLDTSTWCI-ZCFIWIBFSA-N 1 3 171.244 -0.811 20 0 ABADHO NC1(C(=O)NCC[NH2+]C2CC2)CC1 379564675 409848426 /nfs/dbraw/zinc/84/84/26/409848426.db2.gz BBRUXRIXPLDGRH-UHFFFAOYSA-N 1 3 183.255 -0.654 20 0 ABADHO CNCC(=O)NCCC[NH2+]C(C)C 379569637 409849606 /nfs/dbraw/zinc/84/96/06/409849606.db2.gz BMOOTRCWQSVQBJ-UHFFFAOYSA-N 1 3 187.287 -0.290 20 0 ABADHO O=C(CNC1CC1)N[C@H]1CC[NH2+]C1 379571050 409851900 /nfs/dbraw/zinc/85/19/00/409851900.db2.gz DPLJWVFVRIGTPK-QMMMGPOBSA-N 1 3 183.255 -0.784 20 0 ABADHO CC(C)(N)C(=O)NCC[NH2+]C1CC1 379576002 409852081 /nfs/dbraw/zinc/85/20/81/409852081.db2.gz MXUOJHQFUPOXLP-UHFFFAOYSA-N 1 3 185.271 -0.408 20 0 ABADHO O=C(CNC1CC1)N[C@@H]1CC[NH2+]C1 379571042 409852152 /nfs/dbraw/zinc/85/21/52/409852152.db2.gz DPLJWVFVRIGTPK-MRVPVSSYSA-N 1 3 183.255 -0.784 20 0 ABADHO CC[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C 379578863 409852407 /nfs/dbraw/zinc/85/24/07/409852407.db2.gz VLDTVNBGEPFYAR-JGVFFNPUSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)[NH2+]CCCNC(=O)[C@H](C)N 379577111 409852699 /nfs/dbraw/zinc/85/26/99/409852699.db2.gz PUXDTXPXBJHINK-QMMMGPOBSA-N 1 3 187.287 -0.162 20 0 ABADHO CC(C)C[C@H](N)C(=O)N[C@H](C)C[NH3+] 379577056 409852842 /nfs/dbraw/zinc/85/28/42/409852842.db2.gz PLTRHYJQHCBEOK-SFYZADRCSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C 379578864 409853105 /nfs/dbraw/zinc/85/31/05/409853105.db2.gz VLDTVNBGEPFYAR-YUMQZZPRSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)C[NH3+] 379577055 409853389 /nfs/dbraw/zinc/85/33/89/409853389.db2.gz PLTRHYJQHCBEOK-HTQZYQBOSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)[NH2+]CCCNC(=O)[C@@H](C)N 379577110 409853482 /nfs/dbraw/zinc/85/34/82/409853482.db2.gz PUXDTXPXBJHINK-MRVPVSSYSA-N 1 3 187.287 -0.162 20 0 ABADHO CCC[C@](C)(N)C(=O)NCC[NH2+]C 379618217 409855239 /nfs/dbraw/zinc/85/52/39/409855239.db2.gz BCEHKDYDAZFNEJ-VIFPVBQESA-N 1 3 187.287 -0.161 20 0 ABADHO CC(C)([NH3+])CNC(=O)CNC1CC1 379614258 409855702 /nfs/dbraw/zinc/85/57/02/409855702.db2.gz XMVKQOUTIUJTFJ-UHFFFAOYSA-N 1 3 185.271 -0.408 20 0 ABADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)CC[NH3+] 379607114 409855813 /nfs/dbraw/zinc/85/58/13/409855813.db2.gz QWPMXPWGIDIWEM-JGVFFNPUSA-N 1 3 187.287 -0.177 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@@H](N)C(C)(C)C 379602511 409856154 /nfs/dbraw/zinc/85/61/54/409856154.db2.gz MQWPLQGDQJAIEJ-RNFRBKRXSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)N 379598014 409856437 /nfs/dbraw/zinc/85/64/37/409856437.db2.gz GZLKNIZILVUTCD-IONNQARKSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH3+] 379594375 409856669 /nfs/dbraw/zinc/85/66/69/409856669.db2.gz CPMJFRXPTAXNGQ-HTQZYQBOSA-N 1 3 185.271 -0.327 20 0 ABADHO NC1(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 379599364 409856775 /nfs/dbraw/zinc/85/67/75/409856775.db2.gz JFUCYOXALMVASS-SSDOTTSWSA-N 1 3 183.255 -0.669 20 0 ABADHO CC(C)[C@@H]([NH3+])CNC(=O)C(C)(C)N 379604139 409856814 /nfs/dbraw/zinc/85/68/14/409856814.db2.gz OVHNUJGVWYQEII-ZETCQYMHSA-N 1 3 187.287 -0.177 20 0 ABADHO NC1(C(=O)NC[C@H]([NH3+])C2CC2)CC1 379599365 409856832 /nfs/dbraw/zinc/85/68/32/409856832.db2.gz JFUCYOXALMVASS-ZETCQYMHSA-N 1 3 183.255 -0.669 20 0 ABADHO CC(C)[C@@H](N)C(=O)N[C@H](C)CC[NH3+] 379606879 409857033 /nfs/dbraw/zinc/85/70/33/409857033.db2.gz QWPMXPWGIDIWEM-HTQZYQBOSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)N 379598013 409857061 /nfs/dbraw/zinc/85/70/61/409857061.db2.gz GZLKNIZILVUTCD-CBAPKCEASA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)N 379598012 409857551 /nfs/dbraw/zinc/85/75/51/409857551.db2.gz GZLKNIZILVUTCD-APPZFPTMSA-N 1 3 187.287 -0.177 20 0 ABADHO CCC[C@@](C)(N)C(=O)NCC[NH2+]C 379618131 409857575 /nfs/dbraw/zinc/85/75/75/409857575.db2.gz BCEHKDYDAZFNEJ-SECBINFHSA-N 1 3 187.287 -0.161 20 0 ABADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)N 379598128 409857739 /nfs/dbraw/zinc/85/77/39/409857739.db2.gz GZLKNIZILVUTCD-VXNVDRBHSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)[C@H]([NH3+])CNC(=O)C(C)(C)N 379604138 409857775 /nfs/dbraw/zinc/85/77/75/409857775.db2.gz OVHNUJGVWYQEII-SSDOTTSWSA-N 1 3 187.287 -0.177 20 0 ABADHO C[C@H](N)C(=O)NCC[NH2+]C(C)(C)C 379623890 409859033 /nfs/dbraw/zinc/85/90/33/409859033.db2.gz IHTORYHSVLPFSS-ZETCQYMHSA-N 1 3 187.287 -0.162 20 0 ABADHO CCC[C@](C)(N)C(=O)NC[C@H](C)[NH3+] 379620032 409859072 /nfs/dbraw/zinc/85/90/72/409859072.db2.gz DGFZJENQRZBPAE-CBAPKCEASA-N 1 3 187.287 -0.033 20 0 ABADHO CC[NH2+]CCCNC(=O)[C@H](N)CC 379634975 409859206 /nfs/dbraw/zinc/85/92/06/409859206.db2.gz QJYLYKDJKMLTMA-MRVPVSSYSA-N 1 3 187.287 -0.161 20 0 ABADHO CCC[C@@](C)(N)C(=O)NC[C@@H](C)[NH3+] 379620034 409859513 /nfs/dbraw/zinc/85/95/13/409859513.db2.gz DGFZJENQRZBPAE-VXNVDRBHSA-N 1 3 187.287 -0.033 20 0 ABADHO CCC[C@@](C)(N)C(=O)NC[C@H](C)[NH3+] 379620033 409859638 /nfs/dbraw/zinc/85/96/38/409859638.db2.gz DGFZJENQRZBPAE-IONNQARKSA-N 1 3 187.287 -0.033 20 0 ABADHO CC[C@@H](O)CN[C@H](C)C1C[NH2+]C1 665261407 409860210 /nfs/dbraw/zinc/86/02/10/409860210.db2.gz BOTIXIUKEZINPI-VXNVDRBHSA-N 1 3 172.272 -0.045 20 0 ABADHO [NH3+]CCOCCN(CCO)C1CC1 379630246 409860241 /nfs/dbraw/zinc/86/02/41/409860241.db2.gz MQXXYTWNOSKBBL-UHFFFAOYSA-N 1 3 188.271 -0.582 20 0 ABADHO CC[C@@H](O)C[NH2+][C@H](C)C1CNC1 665261407 409860221 /nfs/dbraw/zinc/86/02/21/409860221.db2.gz BOTIXIUKEZINPI-VXNVDRBHSA-N 1 3 172.272 -0.045 20 0 ABADHO CCC[C@](C)(N)C(=O)NC[C@@H](C)[NH3+] 379620031 409860813 /nfs/dbraw/zinc/86/08/13/409860813.db2.gz DGFZJENQRZBPAE-APPZFPTMSA-N 1 3 187.287 -0.033 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H]1CCCCN1 379657927 409862696 /nfs/dbraw/zinc/86/26/96/409862696.db2.gz MXVGEINTKLCVIB-QMMMGPOBSA-N 1 3 185.271 -0.536 20 0 ABADHO CC[C@@H](O)CN[C@@H](C)C1C[NH2+]C1 665261406 409862812 /nfs/dbraw/zinc/86/28/12/409862812.db2.gz BOTIXIUKEZINPI-IONNQARKSA-N 1 3 172.272 -0.045 20 0 ABADHO CC[C@@H](O)C[NH2+][C@@H](C)C1CNC1 665261406 409862821 /nfs/dbraw/zinc/86/28/21/409862821.db2.gz BOTIXIUKEZINPI-IONNQARKSA-N 1 3 172.272 -0.045 20 0 ABADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)N 379652082 409863101 /nfs/dbraw/zinc/86/31/01/409863101.db2.gz GGDYUQJJUIPXSZ-JGVFFNPUSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[NH2+]CCCNC(=O)C(C)(C)N 379658382 409863114 /nfs/dbraw/zinc/86/31/14/409863114.db2.gz NIUNWFBFCSWCIR-UHFFFAOYSA-N 1 3 187.287 -0.161 20 0 ABADHO CNCC(=O)N[C@@](C)(C[NH3+])C1CC1 379661814 409863176 /nfs/dbraw/zinc/86/31/76/409863176.db2.gz QQQOEIUQHRCHOW-VIFPVBQESA-N 1 3 185.271 -0.551 20 0 ABADHO CNCC(=O)NC1(C[NH3+])CCCC1 379652265 409863240 /nfs/dbraw/zinc/86/32/40/409863240.db2.gz GLJUOTQITGQSOI-UHFFFAOYSA-N 1 3 185.271 -0.407 20 0 ABADHO CNCC(=O)N[C@](C)(C[NH3+])C1CC1 379661813 409863296 /nfs/dbraw/zinc/86/32/96/409863296.db2.gz QQQOEIUQHRCHOW-SECBINFHSA-N 1 3 185.271 -0.551 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H]1NCC1(C)C 379662061 409863752 /nfs/dbraw/zinc/86/37/52/409863752.db2.gz QVZZDFDIKOSPFN-ZETCQYMHSA-N 1 3 185.271 -0.680 20 0 ABADHO CC[C@H](N)C(=O)NCC[NH2+]C1CC1 379645362 409863851 /nfs/dbraw/zinc/86/38/51/409863851.db2.gz XSCNCVROBMUCQH-QMMMGPOBSA-N 1 3 185.271 -0.408 20 0 ABADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)N 379652083 409863923 /nfs/dbraw/zinc/86/39/23/409863923.db2.gz GGDYUQJJUIPXSZ-YUMQZZPRSA-N 1 3 187.287 -0.177 20 0 ABADHO C[NH2+]CCNC(=O)[C@H]1NCC1(C)C 379662060 409863942 /nfs/dbraw/zinc/86/39/42/409863942.db2.gz QVZZDFDIKOSPFN-SSDOTTSWSA-N 1 3 185.271 -0.680 20 0 ABADHO CC(C)(N)C(=O)NCC[C@@H]1CC[NH2+]C1 379777914 409865482 /nfs/dbraw/zinc/86/54/82/409865482.db2.gz DULSVQRYXACBHG-QMMMGPOBSA-N 1 3 199.298 -0.161 20 0 ABADHO CC(C)[C@@H]([NH3+])CNC(=O)CNC1CC1 379771185 409865719 /nfs/dbraw/zinc/86/57/19/409865719.db2.gz AJAWKXJARVWPDP-VIFPVBQESA-N 1 3 199.298 -0.162 20 0 ABADHO CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 379773587 409866547 /nfs/dbraw/zinc/86/65/47/409866547.db2.gz BTUCQJUCQPNGJE-RKDXNWHRSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)[C@H]([NH3+])CNC(=O)CNC1CC1 379771178 409866794 /nfs/dbraw/zinc/86/67/94/409866794.db2.gz AJAWKXJARVWPDP-SECBINFHSA-N 1 3 199.298 -0.162 20 0 ABADHO CCC(CC)(C[NH3+])NC(=O)CNC 379666143 409867593 /nfs/dbraw/zinc/86/75/93/409867593.db2.gz WVMTUANYVRDCHG-UHFFFAOYSA-N 1 3 187.287 -0.161 20 0 ABADHO CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 379773584 409867995 /nfs/dbraw/zinc/86/79/95/409867995.db2.gz BTUCQJUCQPNGJE-DTWKUNHWSA-N 1 3 199.298 -0.210 20 0 ABADHO CC(C)(N)C(=O)NCC[C@H]1CC[NH2+]C1 379777913 409868105 /nfs/dbraw/zinc/86/81/05/409868105.db2.gz DULSVQRYXACBHG-MRVPVSSYSA-N 1 3 199.298 -0.161 20 0 ABADHO CNCC(=O)NC[C@]1(C)CCC[NH2+]C1 379975137 409868630 /nfs/dbraw/zinc/86/86/30/409868630.db2.gz CXWJNOQUARDZQB-SNVBAGLBSA-N 1 3 199.298 -0.288 20 0 ABADHO CNCC(=O)NC[C@@]1(C)CCC[NH2+]C1 379975134 409868852 /nfs/dbraw/zinc/86/88/52/409868852.db2.gz CXWJNOQUARDZQB-JTQLQIEISA-N 1 3 199.298 -0.288 20 0 ABADHO C[NH2+]CCC(=O)N1CCNCC1(C)C 379977629 409870056 /nfs/dbraw/zinc/87/00/56/409870056.db2.gz FNPQBZQIKIHWOI-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO CNCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 380053420 409871063 /nfs/dbraw/zinc/87/10/63/409871063.db2.gz SECBRBOFJRKDER-BDAKNGLRSA-N 1 3 199.298 -0.290 20 0 ABADHO CNCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 380053422 409871497 /nfs/dbraw/zinc/87/14/97/409871497.db2.gz SECBRBOFJRKDER-DTWKUNHWSA-N 1 3 199.298 -0.290 20 0 ABADHO CCC[C@@](C)(N)C(=O)N[C@@H]1CC[NH2+]C1 380111569 409871608 /nfs/dbraw/zinc/87/16/08/409871608.db2.gz OHVYTHAUCPSJNY-PSASIEDQSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 380095426 409871623 /nfs/dbraw/zinc/87/16/23/409871623.db2.gz KEHQFGYMXCQEPF-WPRPVWTQSA-N 1 3 199.298 -0.079 20 0 ABADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[NH2+]C1 380111575 409871665 /nfs/dbraw/zinc/87/16/65/409871665.db2.gz OHVYTHAUCPSJNY-WPRPVWTQSA-N 1 3 199.298 -0.018 20 0 ABADHO CNCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 380053423 409871713 /nfs/dbraw/zinc/87/17/13/409871713.db2.gz SECBRBOFJRKDER-IUCAKERBSA-N 1 3 199.298 -0.290 20 0 ABADHO CNCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 380053424 409871999 /nfs/dbraw/zinc/87/19/99/409871999.db2.gz SECBRBOFJRKDER-RKDXNWHRSA-N 1 3 199.298 -0.290 20 0 ABADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[NH2+]C1 380111573 409872073 /nfs/dbraw/zinc/87/20/73/409872073.db2.gz OHVYTHAUCPSJNY-SCZZXKLOSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 380095425 409872212 /nfs/dbraw/zinc/87/22/12/409872212.db2.gz KEHQFGYMXCQEPF-WCBMZHEXSA-N 1 3 199.298 -0.079 20 0 ABADHO CCC[C@@](C)(N)C(=O)N[C@H]1CC[NH2+]C1 380111574 409872431 /nfs/dbraw/zinc/87/24/31/409872431.db2.gz OHVYTHAUCPSJNY-WCBMZHEXSA-N 1 3 199.298 -0.018 20 0 ABADHO CC(C)[C@H](C(=O)NCC[NH3+])N(C)C 380277155 409874670 /nfs/dbraw/zinc/87/46/70/409874670.db2.gz XXERPZXCIIDNLW-MRVPVSSYSA-N 1 3 187.287 -0.353 20 0 ABADHO CNCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] 380228740 409873723 /nfs/dbraw/zinc/87/37/23/409873723.db2.gz KVBQLDYTKYFBOV-RKDXNWHRSA-N 1 3 199.298 -0.161 20 0 ABADHO CN(C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C 380179354 409873875 /nfs/dbraw/zinc/87/38/75/409873875.db2.gz LJGWBTQQFIIWOO-QMMMGPOBSA-N 1 3 199.298 -0.338 20 0 ABADHO CNCC(=O)N1CCC([C@@H](C)[NH3+])CC1 380260510 409874063 /nfs/dbraw/zinc/87/40/63/409874063.db2.gz RISXRWDDCFWOSI-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C 380239378 409874145 /nfs/dbraw/zinc/87/41/45/409874145.db2.gz NBLYEHDJEWCYET-CIUDSAMLSA-N 1 3 199.298 -0.081 20 0 ABADHO CN(C)CCNC(=O)[C@H]1[NH2+]CC1(C)C 380179350 409874267 /nfs/dbraw/zinc/87/42/67/409874267.db2.gz LJGWBTQQFIIWOO-MRVPVSSYSA-N 1 3 199.298 -0.338 20 0 ABADHO CNCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] 380228738 409874284 /nfs/dbraw/zinc/87/42/84/409874284.db2.gz KVBQLDYTKYFBOV-DTWKUNHWSA-N 1 3 199.298 -0.161 20 0 ABADHO CNCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] 380279138 409874376 /nfs/dbraw/zinc/87/43/76/409874376.db2.gz YNIFQBRDCLIJOI-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC1(C)CNCCN1C(=O)CCC[NH3+] 380214988 409874444 /nfs/dbraw/zinc/87/44/44/409874444.db2.gz HXEOPZVNSHQWTG-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[C@H]1CN(C(=O)CNC)CC[C@@H]1[NH3+] 380171758 409874481 /nfs/dbraw/zinc/87/44/81/409874481.db2.gz DREBMBUOUMOVAV-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] 380279139 409874739 /nfs/dbraw/zinc/87/47/39/409874739.db2.gz YNIFQBRDCLIJOI-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N1CCC([C@H](C)[NH3+])CC1 380260519 409874790 /nfs/dbraw/zinc/87/47/90/409874790.db2.gz RISXRWDDCFWOSI-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C 380239383 409875096 /nfs/dbraw/zinc/87/50/96/409875096.db2.gz NBLYEHDJEWCYET-YIZRAAEISA-N 1 3 199.298 -0.081 20 0 ABADHO CNCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] 380228739 409875232 /nfs/dbraw/zinc/87/52/32/409875232.db2.gz KVBQLDYTKYFBOV-IUCAKERBSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C 380239381 409875301 /nfs/dbraw/zinc/87/53/01/409875301.db2.gz NBLYEHDJEWCYET-HLTSFMKQSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C 380239382 409875328 /nfs/dbraw/zinc/87/53/28/409875328.db2.gz NBLYEHDJEWCYET-VGMNWLOBSA-N 1 3 199.298 -0.081 20 0 ABADHO CC(C)C[C@@H](N)C(=O)NCC1C[NH2+]C1 380271474 409875496 /nfs/dbraw/zinc/87/54/96/409875496.db2.gz WGJJJABHLBUCLL-SECBINFHSA-N 1 3 199.298 -0.305 20 0 ABADHO CC[NH2+]CCNC(=O)C1(N)CCCC1 380255662 409875556 /nfs/dbraw/zinc/87/55/56/409875556.db2.gz QFQMALOQFLTQFR-UHFFFAOYSA-N 1 3 199.298 -0.016 20 0 ABADHO CC[C@H]1CN(C(=O)CNC)CC[C@H]1[NH3+] 380171756 409875784 /nfs/dbraw/zinc/87/57/84/409875784.db2.gz DREBMBUOUMOVAV-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] 380279140 409875952 /nfs/dbraw/zinc/87/59/52/409875952.db2.gz YNIFQBRDCLIJOI-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] 380228735 409875974 /nfs/dbraw/zinc/87/59/74/409875974.db2.gz KVBQLDYTKYFBOV-BDAKNGLRSA-N 1 3 199.298 -0.161 20 0 ABADHO CC[C@@H]1CN(C(=O)CNC)CC[C@H]1[NH3+] 380171760 409876202 /nfs/dbraw/zinc/87/62/02/409876202.db2.gz DREBMBUOUMOVAV-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CNCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] 380279141 409876026 /nfs/dbraw/zinc/87/60/26/409876026.db2.gz YNIFQBRDCLIJOI-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)[C@@H](C(=O)NCC[NH3+])N(C)C 380277157 409876156 /nfs/dbraw/zinc/87/61/56/409876156.db2.gz XXERPZXCIIDNLW-QMMMGPOBSA-N 1 3 187.287 -0.353 20 0 ABADHO CC[C@@H]1CN(C(=O)CNC)CC[C@@H]1[NH3+] 380171752 409876220 /nfs/dbraw/zinc/87/62/20/409876220.db2.gz DREBMBUOUMOVAV-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])C1 381179879 409877480 /nfs/dbraw/zinc/87/74/80/409877480.db2.gz VZHOECJDWXVBCP-VIFPVBQESA-N 1 3 199.298 -0.112 20 0 ABADHO CN(CCC[NH3+])C(=O)[C@@H]1NCC1(C)C 380316108 409877568 /nfs/dbraw/zinc/87/75/68/409877568.db2.gz IXOJGEUUKVIMBF-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)CN)C1 381111963 409877881 /nfs/dbraw/zinc/87/78/81/409877881.db2.gz GCYNVIDXVYESPL-VIFPVBQESA-N 1 3 199.298 -0.255 20 0 ABADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN)C1 381111963 409877889 /nfs/dbraw/zinc/87/78/89/409877889.db2.gz GCYNVIDXVYESPL-VIFPVBQESA-N 1 3 199.298 -0.255 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 380320004 409877961 /nfs/dbraw/zinc/87/79/61/409877961.db2.gz KEHQFGYMXCQEPF-PSASIEDQSA-N 1 3 199.298 -0.079 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 380320005 409878311 /nfs/dbraw/zinc/87/83/11/409878311.db2.gz KEHQFGYMXCQEPF-SCZZXKLOSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)C1(N)CCCC1 380316512 409878849 /nfs/dbraw/zinc/87/88/49/409878849.db2.gz JBJXPQRNWAPRKI-MRVPVSSYSA-N 1 3 199.298 -0.031 20 0 ABADHO CC[N@H+](C)C[C@H]1CCN(C(=O)CN)C1 381111959 409878914 /nfs/dbraw/zinc/87/89/14/409878914.db2.gz GCYNVIDXVYESPL-SECBINFHSA-N 1 3 199.298 -0.255 20 0 ABADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)CN)C1 381111959 409878922 /nfs/dbraw/zinc/87/89/22/409878922.db2.gz GCYNVIDXVYESPL-SECBINFHSA-N 1 3 199.298 -0.255 20 0 ABADHO CN(CCC[NH3+])C(=O)[C@H]1NCC1(C)C 380316097 409879367 /nfs/dbraw/zinc/87/93/67/409879367.db2.gz IXOJGEUUKVIMBF-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)C1(N)CCCC1 380316518 409879595 /nfs/dbraw/zinc/87/95/95/409879595.db2.gz JBJXPQRNWAPRKI-QMMMGPOBSA-N 1 3 199.298 -0.031 20 0 ABADHO C[C@H]1CC[C@@H](C)N1CC(=O)NCC[NH3+] 381453770 409880808 /nfs/dbraw/zinc/88/08/08/409880808.db2.gz HPXDTYCHTMQQCS-DTORHVGOSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](C)N)C1 381436077 409881156 /nfs/dbraw/zinc/88/11/56/409881156.db2.gz XWDISJQJBXYIRJ-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)N(C)CC(=O)N[C@@H]1CC[NH2+]C1 381506240 409880884 /nfs/dbraw/zinc/88/08/84/409880884.db2.gz SIONYHNOXSBFFK-SECBINFHSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@H]1CC[N@H+](CCNC(=O)[C@@H](C)N)C1 381436077 409881163 /nfs/dbraw/zinc/88/11/63/409881163.db2.gz XWDISJQJBXYIRJ-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CCCN(C)CC(=O)NCC1C[NH2+]C1 381494965 409881207 /nfs/dbraw/zinc/88/12/07/409881207.db2.gz LYLCROJRGFTLBT-UHFFFAOYSA-N 1 3 199.298 -0.336 20 0 ABADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH3+] 381453771 409881264 /nfs/dbraw/zinc/88/12/64/409881264.db2.gz HPXDTYCHTMQQCS-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH3+] 381453772 409881556 /nfs/dbraw/zinc/88/15/56/409881556.db2.gz HPXDTYCHTMQQCS-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](C)N)C1 381436085 409881681 /nfs/dbraw/zinc/88/16/81/409881681.db2.gz XWDISJQJBXYIRJ-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](C)N)C1 381436085 409881689 /nfs/dbraw/zinc/88/16/89/409881689.db2.gz XWDISJQJBXYIRJ-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)N(C)CC(=O)N[C@H]1CC[NH2+]C1 381506241 409882639 /nfs/dbraw/zinc/88/26/39/409882639.db2.gz SIONYHNOXSBFFK-VIFPVBQESA-N 1 3 199.298 -0.195 20 0 ABADHO CNCC(=O)NC[C@@H](C1CC1)[NH+](C)C 381478889 409882874 /nfs/dbraw/zinc/88/28/74/409882874.db2.gz BSWUADOQJFXCRK-VIFPVBQESA-N 1 3 199.298 -0.338 20 0 ABADHO CNCC(=O)NC[C@H](C1CC1)[NH+](C)C 381478887 409882970 /nfs/dbraw/zinc/88/29/70/409882970.db2.gz BSWUADOQJFXCRK-SECBINFHSA-N 1 3 199.298 -0.338 20 0 ABADHO CNCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 382202505 409897196 /nfs/dbraw/zinc/89/71/96/409897196.db2.gz FKLVAZTUXWKQGG-BQBZGAKWSA-N 1 3 189.234 -0.978 20 0 ABADHO C[NH2+]CCNC(=O)C1(N)CCCCC1 382396111 409903110 /nfs/dbraw/zinc/90/31/10/409903110.db2.gz ZZSYWFGBVRMDCW-UHFFFAOYSA-N 1 3 199.298 -0.016 20 0 ABADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N(C)C 384803450 409914147 /nfs/dbraw/zinc/91/41/47/409914147.db2.gz WQXFXQMFQDSWMT-HTQZYQBOSA-N 1 3 185.271 -0.585 20 0 ABADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N(C)C 384803451 409914438 /nfs/dbraw/zinc/91/44/38/409914438.db2.gz WQXFXQMFQDSWMT-JGVFFNPUSA-N 1 3 185.271 -0.585 20 0 ABADHO CC[NH2+]CCNC(=O)C1(N)CC1 388311309 409951202 /nfs/dbraw/zinc/95/12/02/409951202.db2.gz RUDIMIMZPHYRNW-UHFFFAOYSA-N 1 3 171.244 -0.797 20 0 ABADHO CCCC[C@@H](C[NH3+])NC(=O)CN 388220475 409948085 /nfs/dbraw/zinc/94/80/85/409948085.db2.gz HZSAAIIPRMDYMQ-ZETCQYMHSA-N 1 3 173.260 -0.421 20 0 ABADHO CNCC(=O)NC[C@@H]1CCC[NH2+]1 388206277 409948146 /nfs/dbraw/zinc/94/81/46/409948146.db2.gz DIRBSAAJLVWMIY-ZETCQYMHSA-N 1 3 171.244 -0.926 20 0 ABADHO CCCC[C@H](C[NH3+])NC(=O)CN 388220473 409948589 /nfs/dbraw/zinc/94/85/89/409948589.db2.gz HZSAAIIPRMDYMQ-SSDOTTSWSA-N 1 3 173.260 -0.421 20 0 ABADHO CNCC(=O)NC[C@H]1CCC[NH2+]1 388206275 409949220 /nfs/dbraw/zinc/94/92/20/409949220.db2.gz DIRBSAAJLVWMIY-SSDOTTSWSA-N 1 3 171.244 -0.926 20 0 ABADHO CCC[NH2+]CCNC(=O)[C@@H](C)N 388251819 409949979 /nfs/dbraw/zinc/94/99/79/409949979.db2.gz XDFVYCJCZWFHPA-SSDOTTSWSA-N 1 3 173.260 -0.551 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)CNC1CC1 388297786 409952429 /nfs/dbraw/zinc/95/24/29/409952429.db2.gz MBVQZNHGIVSDPF-ZCFIWIBFSA-N 1 3 171.244 -0.798 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)C(C)(C)N 388297565 409951665 /nfs/dbraw/zinc/95/16/65/409951665.db2.gz LXVRXOMEYWGFNR-LURJTMIESA-N 1 3 173.260 -0.423 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)C(C)(C)N 388297566 409951994 /nfs/dbraw/zinc/95/19/94/409951994.db2.gz LXVRXOMEYWGFNR-ZCFIWIBFSA-N 1 3 173.260 -0.423 20 0 ABADHO C[C@H]([NH3+])CNC(=O)CNC1CC1 388297783 409952304 /nfs/dbraw/zinc/95/23/04/409952304.db2.gz MBVQZNHGIVSDPF-LURJTMIESA-N 1 3 171.244 -0.798 20 0 ABADHO CC[C@H](N)C(=O)N(C)CCC[NH3+] 388365227 409954354 /nfs/dbraw/zinc/95/43/54/409954354.db2.gz VEFXWULLEZZVEY-ZETCQYMHSA-N 1 3 173.260 -0.469 20 0 ABADHO CCC(CC)(C[NH3+])NC(=O)CN 388359893 409956092 /nfs/dbraw/zinc/95/60/92/409956092.db2.gz SGDAQEZPXKCQQV-UHFFFAOYSA-N 1 3 173.260 -0.421 20 0 ABADHO CNCC(=O)N[C@H](C)CCCC[NH3+] 389219140 409964737 /nfs/dbraw/zinc/96/47/37/409964737.db2.gz MJAHTXVWGNNZAN-MRVPVSSYSA-N 1 3 187.287 -0.161 20 0 ABADHO CN(CCC[NH3+])C(=O)CNC1CC1 389203913 409964749 /nfs/dbraw/zinc/96/47/49/409964749.db2.gz FUXLXXABNZETHY-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO C[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] 389195946 409964916 /nfs/dbraw/zinc/96/49/16/409964916.db2.gz APMLURSFYRJPQC-ZETCQYMHSA-N 1 3 187.287 -0.223 20 0 ABADHO C[C@@H](C[NH3+])CNC(=O)CNC1CC1 389225417 409965054 /nfs/dbraw/zinc/96/50/54/409965054.db2.gz PTWFGZMMYCYPPM-ZETCQYMHSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)CNC1CC1 389196612 409965736 /nfs/dbraw/zinc/96/57/36/409965736.db2.gz AZKFWWCXMADQTG-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H](C[NH3+])CNC(=O)CNC1CC1 389225416 409966150 /nfs/dbraw/zinc/96/61/50/409966150.db2.gz PTWFGZMMYCYPPM-SSDOTTSWSA-N 1 3 185.271 -0.551 20 0 ABADHO CNCC(=O)N[C@@H](C)CCCC[NH3+] 389219141 409966780 /nfs/dbraw/zinc/96/67/80/409966780.db2.gz MJAHTXVWGNNZAN-QMMMGPOBSA-N 1 3 187.287 -0.161 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)CNC1CC1 389196611 409967068 /nfs/dbraw/zinc/96/70/68/409967068.db2.gz AZKFWWCXMADQTG-SSDOTTSWSA-N 1 3 185.271 -0.408 20 0 ABADHO C[NH2+]CCNC(=O)C1(N)CCCC1 389321491 409970210 /nfs/dbraw/zinc/97/02/10/409970210.db2.gz RUDGAJRFUFYICK-UHFFFAOYSA-N 1 3 185.271 -0.407 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C 389633463 409970233 /nfs/dbraw/zinc/97/02/33/409970233.db2.gz NBLYEHDJEWCYET-XHNCKOQMSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C 389633334 409970544 /nfs/dbraw/zinc/97/05/44/409970544.db2.gz NBLYEHDJEWCYET-DJLDLDEBSA-N 1 3 199.298 -0.081 20 0 ABADHO C[NH2+]CCCNC(=O)C1(N)CCCC1 389654657 409970990 /nfs/dbraw/zinc/97/09/90/409970990.db2.gz YHZKOWTZUFEGGW-UHFFFAOYSA-N 1 3 199.298 -0.016 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C 389633462 409971283 /nfs/dbraw/zinc/97/12/83/409971283.db2.gz NBLYEHDJEWCYET-IWSPIJDZSA-N 1 3 199.298 -0.081 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C 389633461 409971919 /nfs/dbraw/zinc/97/19/19/409971919.db2.gz NBLYEHDJEWCYET-HRDYMLBCSA-N 1 3 199.298 -0.081 20 0 ABADHO C[NH2+][C@@H]1CCN(C(=O)CNC2CC2)C1 389871499 409972892 /nfs/dbraw/zinc/97/28/92/409972892.db2.gz JQDHHBKFMOGMBN-SECBINFHSA-N 1 3 197.282 -0.441 20 0 ABADHO C[NH2+][C@H]1CCN(C(=O)CNC2CC2)C1 389871500 409973626 /nfs/dbraw/zinc/97/36/26/409973626.db2.gz JQDHHBKFMOGMBN-VIFPVBQESA-N 1 3 197.282 -0.441 20 0 ABADHO CCCN(C(=O)[C@H](C)N)[C@H]1CC[NH2+]C1 389848015 409974178 /nfs/dbraw/zinc/97/41/78/409974178.db2.gz QJZKQPMUGBVJEW-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CCCN(C(=O)[C@H](C)N)[C@@H]1CC[NH2+]C1 389848014 409974404 /nfs/dbraw/zinc/97/44/04/409974404.db2.gz QJZKQPMUGBVJEW-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO NCC(=O)N(C1CC[NH2+]CC1)C1CC1 389882730 409974490 /nfs/dbraw/zinc/97/44/90/409974490.db2.gz PHBGRNJRDIRPOR-UHFFFAOYSA-N 1 3 197.282 -0.312 20 0 ABADHO NCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 389889283 409974888 /nfs/dbraw/zinc/97/48/88/409974888.db2.gz USIXNXRWUCCKGF-KYZUINATSA-N 1 3 199.298 -0.174 20 0 ABADHO CC[NH2+]CCCNC(=O)CNC1CC1 389996429 409977861 /nfs/dbraw/zinc/97/78/61/409977861.db2.gz QOIANVSIKKBJNV-UHFFFAOYSA-N 1 3 199.298 -0.146 20 0 ABADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@H](C)N)C1 393776087 409992877 /nfs/dbraw/zinc/99/28/77/409992877.db2.gz XWDISJQJBXYIRJ-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H]1CC[N@H+](CCNC(=O)[C@H](C)N)C1 393776087 409992880 /nfs/dbraw/zinc/99/28/80/409992880.db2.gz XWDISJQJBXYIRJ-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CCCN(C)CC(=O)N[C@H]1CC[NH2+]C1 393798295 409993179 /nfs/dbraw/zinc/99/31/79/409993179.db2.gz KEQXUZBCJIEPFW-VIFPVBQESA-N 1 3 199.298 -0.194 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@@H]1NCC1(C)C 393770515 409993416 /nfs/dbraw/zinc/99/34/16/409993416.db2.gz YCGHWCRHXKFDJN-YUMQZZPRSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 393776086 409993755 /nfs/dbraw/zinc/99/37/55/409993755.db2.gz XWDISJQJBXYIRJ-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 393776086 409993758 /nfs/dbraw/zinc/99/37/58/409993758.db2.gz XWDISJQJBXYIRJ-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@H]1NCC1(C)C 393770509 409993865 /nfs/dbraw/zinc/99/38/65/409993865.db2.gz YCGHWCRHXKFDJN-JGVFFNPUSA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN 393931172 409993965 /nfs/dbraw/zinc/99/39/65/409993965.db2.gz KNFDBXLGRRFCRG-BQBZGAKWSA-N 1 3 189.234 -0.897 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@@H]1NCC1(C)C 393770513 409994043 /nfs/dbraw/zinc/99/40/43/409994043.db2.gz YCGHWCRHXKFDJN-SFYZADRCSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@@H]1CCN(CCNC(=O)CC[NH3+])C1 393815118 409994593 /nfs/dbraw/zinc/99/45/93/409994593.db2.gz VZTUSOBJRJBZBZ-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO C[C@H]1CCN(CCNC(=O)CC[NH3+])C1 393815119 409994623 /nfs/dbraw/zinc/99/46/23/409994623.db2.gz VZTUSOBJRJBZBZ-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@H]1NCC1(C)C 393770508 409994639 /nfs/dbraw/zinc/99/46/39/409994639.db2.gz YCGHWCRHXKFDJN-HTQZYQBOSA-N 1 3 199.298 -0.162 20 0 ABADHO [NH3+]CCC(=O)NC[C@@H]1C[C@H](F)CN1 393947066 409996797 /nfs/dbraw/zinc/99/67/97/409996797.db2.gz NNCWVKTWBOUJGJ-BQBZGAKWSA-N 1 3 189.234 -0.849 20 0 ABADHO N[C@@H](C(=O)NCC[NH3+])C1CCC1 399083984 410023888 /nfs/dbraw/zinc/02/38/88/410023888.db2.gz QRMHESQDSVFRFN-SSDOTTSWSA-N 1 3 171.244 -0.811 20 0 ABADHO N[C@H](C(=O)NCC[NH3+])C1CCC1 399083987 410024832 /nfs/dbraw/zinc/02/48/32/410024832.db2.gz QRMHESQDSVFRFN-ZETCQYMHSA-N 1 3 171.244 -0.811 20 0 ABADHO C[C@H](CNC(=O)C1(C)C[NH2+]C1)N(C)C 399151401 410025323 /nfs/dbraw/zinc/02/53/23/410025323.db2.gz GFXRBSTVUUPBJF-MRVPVSSYSA-N 1 3 199.298 -0.338 20 0 ABADHO CN(C)CCNC(=O)C1(C)C[NH2+]C1 399352038 410027019 /nfs/dbraw/zinc/02/70/19/410027019.db2.gz YZKAXQODITZGDL-UHFFFAOYSA-N 1 3 185.271 -0.726 20 0 ABADHO C[C@@H](CNC(=O)C1(C)C[NH2+]C1)N(C)C 399151402 410028234 /nfs/dbraw/zinc/02/82/34/410028234.db2.gz GFXRBSTVUUPBJF-QMMMGPOBSA-N 1 3 199.298 -0.338 20 0 ABADHO C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)N(C)C 649305933 410187743 /nfs/dbraw/zinc/18/77/43/410187743.db2.gz MKERVDIMPHXTOS-XHNCKOQMSA-N 1 3 199.298 -0.210 20 0 ABADHO C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)N(C)C 649305932 410188129 /nfs/dbraw/zinc/18/81/29/410188129.db2.gz MKERVDIMPHXTOS-HLTSFMKQSA-N 1 3 199.298 -0.210 20 0 ABADHO CCNCC(=O)NC[C@@H](C)[NH2+]CC 308546728 573313473 /nfs/dbraw/zinc/31/34/73/573313473.db2.gz PQOYFRLNRVAVIV-MRVPVSSYSA-N 1 3 187.287 -0.290 20 0 ABADHO CCNCC(=O)NCC1CC[NH2+]CC1 308864295 573421015 /nfs/dbraw/zinc/42/10/15/573421015.db2.gz DGKGAOLPFXORPW-UHFFFAOYSA-N 1 3 199.298 -0.288 20 0 ABADHO CC[NH2+]CC(=O)N1C[C@H](C)N[C@@H](C)C1 308869285 573537024 /nfs/dbraw/zinc/53/70/24/573537024.db2.gz IKBPJBCQPGYVSW-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CCNCC(=O)N1CC[C@@H](C[NH3+])C1 308635055 573573340 /nfs/dbraw/zinc/57/33/40/573573340.db2.gz CCPFGXKWDHWENF-QMMMGPOBSA-N 1 3 185.271 -0.597 20 0 ABADHO CCNCC(=O)N1CCC[C@@H]([NH3+])C1 308644251 573622604 /nfs/dbraw/zinc/62/26/04/573622604.db2.gz GQQUODWFPWQSAK-MRVPVSSYSA-N 1 3 185.271 -0.454 20 0 ABADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)N)C1 308650430 573629021 /nfs/dbraw/zinc/62/90/21/573629021.db2.gz KBORNFDSKKBGIN-YUMQZZPRSA-N 1 3 185.271 -0.599 20 0 ABADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)N)C1 308650428 573629264 /nfs/dbraw/zinc/62/92/64/573629264.db2.gz KBORNFDSKKBGIN-JGVFFNPUSA-N 1 3 185.271 -0.599 20 0 ABADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)N)C1 308650429 573628844 /nfs/dbraw/zinc/62/88/44/573628844.db2.gz KBORNFDSKKBGIN-SFYZADRCSA-N 1 3 185.271 -0.599 20 0 ABADHO CCNCC(=O)N[C@H](C)CC[NH3+] 308425297 573698303 /nfs/dbraw/zinc/69/83/03/573698303.db2.gz WGASEPVBRWQTHG-SSDOTTSWSA-N 1 3 173.260 -0.551 20 0 ABADHO C1CNC[C@@H](C2=[NH+]CCN2)C1 108264203 573711769 /nfs/dbraw/zinc/71/17/69/573711769.db2.gz NQYQBDRNKTYXRJ-ZETCQYMHSA-N 1 3 153.229 -0.012 20 0 ABADHO CCNCC(=O)N1CC[C@@H]([NH3+])C1 308430848 573784224 /nfs/dbraw/zinc/78/42/24/573784224.db2.gz ZOWUTKZOASFOGM-SSDOTTSWSA-N 1 3 171.244 -0.845 20 0 ABADHO CCNCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 308896151 573794728 /nfs/dbraw/zinc/79/47/28/573794728.db2.gz ZMGJUQQERWBECP-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+]CCC(=O)NC1CCN(C)CC1 43600034 573858774 /nfs/dbraw/zinc/85/87/74/573858774.db2.gz CAGVOOKJOYIIPK-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO CN(CCC[NH+](C)C)C(=O)CN 41198780 573886161 /nfs/dbraw/zinc/88/61/61/573886161.db2.gz GIHLRBYHFVZCOX-UHFFFAOYSA-N 1 3 173.260 -0.645 20 0 ABADHO CCNCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 308820372 573890795 /nfs/dbraw/zinc/89/07/95/573890795.db2.gz BTKVREMHDWTOSI-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+]CC(=O)NC[C@@H]1CCCCN1C 44564554 573915094 /nfs/dbraw/zinc/91/50/94/573915094.db2.gz IHVPVUIYYARODE-VIFPVBQESA-N 1 3 199.298 -0.194 20 0 ABADHO CC[C@@H](N)C(=O)N[C@@H](C)C[NH3+] 307613450 629790257 /nfs/dbraw/zinc/79/02/57/629790257.db2.gz LWPGRZCZEGTXCV-NTSWFWBYSA-N 1 3 159.233 -0.813 20 0 ABADHO CC[NH2+]CC(=O)N1C[C@@H](C)NC[C@@H]1C 308893061 629880475 /nfs/dbraw/zinc/88/04/75/629880475.db2.gz XYSWVRKNPBHRAS-BDAKNGLRSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[NH2+]CC(=O)N1C[C@H](C)NC[C@H]1C 308893065 629880545 /nfs/dbraw/zinc/88/05/45/629880545.db2.gz XYSWVRKNPBHRAS-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[NH2+]CC(=O)N1C[C@H](C)NC[C@@H]1C 308893067 630022723 /nfs/dbraw/zinc/02/27/23/630022723.db2.gz XYSWVRKNPBHRAS-IUCAKERBSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[NH2+]CC(=O)N1C[C@@H](C)NC[C@H]1C 308893070 630023069 /nfs/dbraw/zinc/02/30/69/630023069.db2.gz XYSWVRKNPBHRAS-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO CN(CCO)CC(C)(C)C[NH3+] 17666121 630029262 /nfs/dbraw/zinc/02/92/62/630029262.db2.gz VHNBIGWHDHVBDQ-UHFFFAOYSA-N 1 3 160.261 -0.105 20 0 ABADHO NC(=O)CN1CCC2(CC[NH2+]CC2)C1 306186867 630081587 /nfs/dbraw/zinc/08/15/87/630081587.db2.gz CGZKYVPFSBBWTA-UHFFFAOYSA-N 1 3 197.282 -0.453 20 0 ABADHO CC[C@H](N)C(=O)N[C@@H](C)C[NH3+] 307700341 630186049 /nfs/dbraw/zinc/18/60/49/630186049.db2.gz LWPGRZCZEGTXCV-WDSKDSINSA-N 1 3 159.233 -0.813 20 0 ABADHO CNC(=O)CN1CCC([C@@H](C)[NH3+])CC1 82474943 524072224 /nfs/dbraw/zinc/07/22/24/524072224.db2.gz KXNUNYLIHARCPU-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H]1CCCN1CCNC(N)=[NH2+] 238400596 630397647 /nfs/dbraw/zinc/39/76/47/630397647.db2.gz RQLMQTQCIOLEQG-SSDOTTSWSA-N 1 3 170.260 -0.046 20 0 ABADHO C[NH2+]CCCNC(=O)[C@H](N)CC1CC1 83343252 630835336 /nfs/dbraw/zinc/83/53/36/630835336.db2.gz HEPLGICCDQLOPG-SECBINFHSA-N 1 3 199.298 -0.161 20 0 ABADHO CC(C)COCCNC(CN)C[NH3+] 923354861 630893454 /nfs/dbraw/zinc/89/34/54/630893454.db2.gz XALGMASGAWWEJQ-UHFFFAOYSA-N 1 3 189.303 -0.465 20 0 ABADHO CC[C@H](CO)N1C[C@@H]2C[NH2+]C[C@H]2C1 929312838 631088188 /nfs/dbraw/zinc/08/81/88/631088188.db2.gz NBMVUCLCMGCOBE-LPEHRKFASA-N 1 3 184.283 -0.092 20 0 ABADHO CC[C@@H](CO)N1C[C@@H]2C[NH2+]C[C@@H]2C1 929312836 631088801 /nfs/dbraw/zinc/08/88/01/631088801.db2.gz NBMVUCLCMGCOBE-AEJSXWLSSA-N 1 3 184.283 -0.092 20 0 ABADHO CC[C@H](CO)N1C[C@H]2C[NH2+]C[C@@H]2C1 929312839 631089405 /nfs/dbraw/zinc/08/94/05/631089405.db2.gz NBMVUCLCMGCOBE-OPRDCNLKSA-N 1 3 184.283 -0.092 20 0 ABADHO CC[C@H](CO)N1C[C@@H]2C[NH2+]C[C@@H]2C1 929312837 631090377 /nfs/dbraw/zinc/09/03/77/631090377.db2.gz NBMVUCLCMGCOBE-KXUCPTDWSA-N 1 3 184.283 -0.092 20 0 ABADHO C[C@H]1CCN(CCO)C[C@H]1C[NH3+] 253197847 631166497 /nfs/dbraw/zinc/16/64/97/631166497.db2.gz VIDNVQGHFOOHHX-DTWKUNHWSA-N 1 3 172.272 -0.105 20 0 ABADHO C[C@@H]1CCN(CCO)C[C@H]1C[NH3+] 253197849 631166528 /nfs/dbraw/zinc/16/65/28/631166528.db2.gz VIDNVQGHFOOHHX-RKDXNWHRSA-N 1 3 172.272 -0.105 20 0 ABADHO COC[C@H](O)CN1CC[C@H](C[NH3+])C1 68892332 1224173908 /nfs/dbraw/zinc/17/39/08/1224173908.db2.gz LROGNNSIUOGBGR-RKDXNWHRSA-N 1 3 188.271 -0.726 20 0 ABADHO COC[C@@H](O)CN1CC[C@H](C[NH3+])C1 68892333 1224174495 /nfs/dbraw/zinc/17/44/95/1224174495.db2.gz LROGNNSIUOGBGR-BDAKNGLRSA-N 1 3 188.271 -0.726 20 0 ABADHO C[C@H](N)C(=O)NCC1([NH+](C)C)CCC1 165227831 1224196742 /nfs/dbraw/zinc/19/67/42/1224196742.db2.gz AQFABJIBINLZPQ-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CN(CC1([NH+](C)C)CCC1)C(=O)CN 165235729 1224196761 /nfs/dbraw/zinc/19/67/61/1224196761.db2.gz WKJAQWQKSYQCRW-UHFFFAOYSA-N 1 3 199.298 -0.112 20 0 ABADHO C[C@H](CC(N)=O)NC[C@@H]1CCC[NH2+]C1 220431025 1224223620 /nfs/dbraw/zinc/22/36/20/1224223620.db2.gz OJTIDDNMPSUEPN-RKDXNWHRSA-N 1 3 199.298 -0.161 20 0 ABADHO C[C@@H](CC(N)=O)NC[C@@H]1CCC[NH2+]C1 220430954 1224223969 /nfs/dbraw/zinc/22/39/69/1224223969.db2.gz OJTIDDNMPSUEPN-DTWKUNHWSA-N 1 3 199.298 -0.161 20 0 ABADHO CN1CCC[C@H](NC(=O)[C@H]2C[C@H]2[NH3+])C1 257362494 1224242087 /nfs/dbraw/zinc/24/20/87/1224242087.db2.gz QPUAIVCSASJXIG-XHNCKOQMSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H](O)C[N@@H+]1CCCO[C@H](CN)C1 306180944 1224245371 /nfs/dbraw/zinc/24/53/71/1224245371.db2.gz SSBRMXGJHHKLGC-RKDXNWHRSA-N 1 3 188.271 -0.583 20 0 ABADHO C[C@@H](O)C[N@H+]1CCCO[C@H](CN)C1 306180944 1224245380 /nfs/dbraw/zinc/24/53/80/1224245380.db2.gz SSBRMXGJHHKLGC-RKDXNWHRSA-N 1 3 188.271 -0.583 20 0 ABADHO C[C@H](O)C[N@@H+]1CCCO[C@@H](CN)C1 306180943 1224245713 /nfs/dbraw/zinc/24/57/13/1224245713.db2.gz SSBRMXGJHHKLGC-IUCAKERBSA-N 1 3 188.271 -0.583 20 0 ABADHO C[C@H](O)C[N@H+]1CCCO[C@@H](CN)C1 306180943 1224245720 /nfs/dbraw/zinc/24/57/20/1224245720.db2.gz SSBRMXGJHHKLGC-IUCAKERBSA-N 1 3 188.271 -0.583 20 0 ABADHO C[C@H](O)C[N@@H+]1CCCO[C@H](CN)C1 306180942 1224246159 /nfs/dbraw/zinc/24/61/59/1224246159.db2.gz SSBRMXGJHHKLGC-DTWKUNHWSA-N 1 3 188.271 -0.583 20 0 ABADHO C[C@H](O)C[N@H+]1CCCO[C@H](CN)C1 306180942 1224246164 /nfs/dbraw/zinc/24/61/64/1224246164.db2.gz SSBRMXGJHHKLGC-DTWKUNHWSA-N 1 3 188.271 -0.583 20 0 ABADHO C[C@@H](O)C[N@@H+]1CCCO[C@@H](CN)C1 306180941 1224246450 /nfs/dbraw/zinc/24/64/50/1224246450.db2.gz SSBRMXGJHHKLGC-BDAKNGLRSA-N 1 3 188.271 -0.583 20 0 ABADHO C[C@@H](O)C[N@H+]1CCCO[C@@H](CN)C1 306180941 1224246457 /nfs/dbraw/zinc/24/64/57/1224246457.db2.gz SSBRMXGJHHKLGC-BDAKNGLRSA-N 1 3 188.271 -0.583 20 0 ABADHO NC1(C(=O)NCC2=CC[NH2+]CC2)CC1 306442685 1224259671 /nfs/dbraw/zinc/25/96/71/1224259671.db2.gz YTVHOOJMSYQYLP-UHFFFAOYSA-N 1 3 195.266 -0.486 20 0 ABADHO C[C@H](NC(=O)CN)[C@@H]1CCC[NH2+]C1 306463737 1224261138 /nfs/dbraw/zinc/26/11/38/1224261138.db2.gz IOLGBUJLQRBULI-JGVFFNPUSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@@H](NC(=O)CN)[C@H]1CCC[NH2+]C1 306463739 1224261165 /nfs/dbraw/zinc/26/11/65/1224261165.db2.gz IOLGBUJLQRBULI-SFYZADRCSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@H](NC(=O)CN)[C@H]1CCC[NH2+]C1 306463741 1224261227 /nfs/dbraw/zinc/26/12/27/1224261227.db2.gz IOLGBUJLQRBULI-YUMQZZPRSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@@H](NC(=O)CN)[C@@H]1CCC[NH2+]C1 306463735 1224261285 /nfs/dbraw/zinc/26/12/85/1224261285.db2.gz IOLGBUJLQRBULI-HTQZYQBOSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 306525917 1224263245 /nfs/dbraw/zinc/26/32/45/1224263245.db2.gz RXQTWMARLITQEQ-RBXMUDONSA-N 1 3 199.298 -0.164 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C 306525919 1224263872 /nfs/dbraw/zinc/26/38/72/1224263872.db2.gz RXQTWMARLITQEQ-XSPKLOCKSA-N 1 3 199.298 -0.164 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C 306525916 1224264098 /nfs/dbraw/zinc/26/40/98/1224264098.db2.gz RXQTWMARLITQEQ-BZNPZCIMSA-N 1 3 199.298 -0.164 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1[C@H](C)[NH2+]CC[C@H]1C 306525918 1224264176 /nfs/dbraw/zinc/26/41/76/1224264176.db2.gz RXQTWMARLITQEQ-RYPBNFRJSA-N 1 3 199.298 -0.164 20 0 ABADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)N)C1 306530537 1224264723 /nfs/dbraw/zinc/26/47/23/1224264723.db2.gz HCLIKILUBPVJSP-RQJHMYQMSA-N 1 3 171.244 -0.846 20 0 ABADHO C[NH2+][C@H]1CCN(C(=O)[C@H](C)N)C1 306530534 1224264925 /nfs/dbraw/zinc/26/49/25/1224264925.db2.gz HCLIKILUBPVJSP-BQBZGAKWSA-N 1 3 171.244 -0.846 20 0 ABADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)N)C1 306530536 1224265097 /nfs/dbraw/zinc/26/50/97/1224265097.db2.gz HCLIKILUBPVJSP-RNFRBKRXSA-N 1 3 171.244 -0.846 20 0 ABADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)N)C1 306530535 1224265290 /nfs/dbraw/zinc/26/52/90/1224265290.db2.gz HCLIKILUBPVJSP-NKWVEPMBSA-N 1 3 171.244 -0.846 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 306658228 1224271004 /nfs/dbraw/zinc/27/10/04/1224271004.db2.gz IPGSFJXIIWRYMS-HTQZYQBOSA-N 1 3 197.282 -0.408 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 306658229 1224271629 /nfs/dbraw/zinc/27/16/29/1224271629.db2.gz IPGSFJXIIWRYMS-SFYZADRCSA-N 1 3 197.282 -0.408 20 0 ABADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)N 308355737 1224299210 /nfs/dbraw/zinc/29/92/10/1224299210.db2.gz AZHSMKWQOAQWPG-RQJHMYQMSA-N 1 3 173.260 -0.695 20 0 ABADHO CC(C)OCCNC(CN)C[NH3+] 308384085 1224299296 /nfs/dbraw/zinc/29/92/96/1224299296.db2.gz SLYMGQSYVBNOSD-UHFFFAOYSA-N 1 3 175.276 -0.713 20 0 ABADHO C[C@H](CCCC[NH3+])NC(=O)CN 308383158 1224299708 /nfs/dbraw/zinc/29/97/08/1224299708.db2.gz RRLUPQMZXGGJIL-SSDOTTSWSA-N 1 3 173.260 -0.421 20 0 ABADHO C[C@@H](CCCC[NH3+])NC(=O)CN 308383164 1224299819 /nfs/dbraw/zinc/29/98/19/1224299819.db2.gz RRLUPQMZXGGJIL-ZETCQYMHSA-N 1 3 173.260 -0.421 20 0 ABADHO NCC(=O)NCC[C@@H]1CC[NH2+]C1 379376175 1224309252 /nfs/dbraw/zinc/30/92/52/1224309252.db2.gz SDAYNALWEXSARL-ZETCQYMHSA-N 1 3 171.244 -0.939 20 0 ABADHO NCC(=O)NCC[C@H]1CC[NH2+]C1 379376174 1224309983 /nfs/dbraw/zinc/30/99/83/1224309983.db2.gz SDAYNALWEXSARL-SSDOTTSWSA-N 1 3 171.244 -0.939 20 0 ABADHO N[C@@H](CC1CC1)C(=O)NCCCC[NH3+] 379484561 1224316294 /nfs/dbraw/zinc/31/62/94/1224316294.db2.gz DRZATMKOQUXMOR-VIFPVBQESA-N 1 3 199.298 -0.031 20 0 ABADHO C[NH2+]CC1CCN(C(=O)[C@@H](C)N)CC1 380344392 1224318848 /nfs/dbraw/zinc/31/88/48/1224318848.db2.gz SQWVYHXFCYMWKW-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)(CCC[NH3+])NC(=O)CN 382303455 1224324284 /nfs/dbraw/zinc/32/42/84/1224324284.db2.gz OAPINOFXCINNIL-UHFFFAOYSA-N 1 3 173.260 -0.421 20 0 ABADHO C[C@H](O)[C@@H](C)N(C)C[C@@H](O)C[NH3+] 388390312 1224326022 /nfs/dbraw/zinc/32/60/22/1224326022.db2.gz BNYNJSXVMKUNAS-CSMHCCOUSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@@H](C)[N@H+](C)C[C@@H](O)CN 388390312 1224326030 /nfs/dbraw/zinc/32/60/30/1224326030.db2.gz BNYNJSXVMKUNAS-CSMHCCOUSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN 388390312 1224326041 /nfs/dbraw/zinc/32/60/41/1224326041.db2.gz BNYNJSXVMKUNAS-CSMHCCOUSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@H](C)N(C)C[C@H](O)C[NH3+] 388390305 1224326072 /nfs/dbraw/zinc/32/60/72/1224326072.db2.gz BNYNJSXVMKUNAS-BIIVOSGPSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@H](C)[N@H+](C)C[C@H](O)CN 388390305 1224326083 /nfs/dbraw/zinc/32/60/83/1224326083.db2.gz BNYNJSXVMKUNAS-BIIVOSGPSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](O)[C@H](C)[N@@H+](C)C[C@H](O)CN 388390305 1224326094 /nfs/dbraw/zinc/32/60/94/1224326094.db2.gz BNYNJSXVMKUNAS-BIIVOSGPSA-N 1 3 176.260 -0.993 20 0 ABADHO C[C@H](NC[C@@H]1COCCN1)C1C[NH2+]C1 1329223401 1224444056 /nfs/dbraw/zinc/44/40/56/1224444056.db2.gz UBHWFBMXQYMUSR-WCBMZHEXSA-N 1 3 199.298 -0.828 20 0 ABADHO C[C@@H](NC[C@H]1COCCN1)C1C[NH2+]C1 1329223379 1224444115 /nfs/dbraw/zinc/44/41/15/1224444115.db2.gz UBHWFBMXQYMUSR-SCZZXKLOSA-N 1 3 199.298 -0.828 20 0 ABADHO C[C@H](NC[C@H]1COCCN1)C1C[NH2+]C1 1329223402 1224444519 /nfs/dbraw/zinc/44/45/19/1224444519.db2.gz UBHWFBMXQYMUSR-WPRPVWTQSA-N 1 3 199.298 -0.828 20 0 ABADHO C[C@@H](NC[C@@H]1COCCN1)C1C[NH2+]C1 1329223378 1224444784 /nfs/dbraw/zinc/44/47/84/1224444784.db2.gz UBHWFBMXQYMUSR-PSASIEDQSA-N 1 3 199.298 -0.828 20 0 ABADHO CCN(C(=O)CN)C1CC[NH2+]CC1 1346452123 1224466888 /nfs/dbraw/zinc/46/68/88/1224466888.db2.gz ULRHWYDXRWQQEI-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO CC[C@@H](C[NH3+])C1(O)CNC1 85923946 537925839 /nfs/dbraw/zinc/92/58/39/537925839.db2.gz BQPHLYTYBPOTAI-LURJTMIESA-N 1 3 144.218 -0.694 20 0 ABADHO CC[C@H](C[NH3+])C1(O)CNC1 85923951 537926198 /nfs/dbraw/zinc/92/61/98/537926198.db2.gz BQPHLYTYBPOTAI-ZCFIWIBFSA-N 1 3 144.218 -0.694 20 0 ABADHO CC(C)(C[NH3+])C1(O)CNC1 85923890 537926348 /nfs/dbraw/zinc/92/63/48/537926348.db2.gz AVSVTLNADQPQAO-UHFFFAOYSA-N 1 3 144.218 -0.694 20 0 ABADHO CC[C@@](C)(C[NH3+])C1(O)CNC1 85923864 537926487 /nfs/dbraw/zinc/92/64/87/537926487.db2.gz QXNDIFVVJZKFDH-ZETCQYMHSA-N 1 3 158.245 -0.304 20 0 ABADHO [NH3+]CC1(C2(O)CNC2)CCC1 85923999 537926517 /nfs/dbraw/zinc/92/65/17/537926517.db2.gz XYCNCSKLHBEVEG-UHFFFAOYSA-N 1 3 156.229 -0.550 20 0 ABADHO CC[C@](C)(C[NH3+])C1(O)CNC1 85923869 537927116 /nfs/dbraw/zinc/92/71/16/537927116.db2.gz QXNDIFVVJZKFDH-SSDOTTSWSA-N 1 3 158.245 -0.304 20 0 ABADHO [NH3+]CC1(C2(O)CNC2)CCOCC1 85923983 537927669 /nfs/dbraw/zinc/92/76/69/537927669.db2.gz MYQCIJZLPIWFBP-UHFFFAOYSA-N 1 3 186.255 -0.924 20 0 ABADHO [NH3+]CC1(C2(O)CNC2)CCCC1 85923857 537928773 /nfs/dbraw/zinc/92/87/73/537928773.db2.gz SNIWKLAVRWMWGC-UHFFFAOYSA-N 1 3 170.256 -0.160 20 0 ABADHO CCC[C@@H](C[NH3+])C1(O)CNC1 86329329 537930972 /nfs/dbraw/zinc/93/09/72/537930972.db2.gz XBRZFJOTCPDAQX-ZETCQYMHSA-N 1 3 158.245 -0.304 20 0 ABADHO CCC[C@H](C[NH3+])C1(O)CNC1 86329332 537931037 /nfs/dbraw/zinc/93/10/37/537931037.db2.gz XBRZFJOTCPDAQX-SSDOTTSWSA-N 1 3 158.245 -0.304 20 0 ABADHO NC[C@]1(N)CCC[NH2+]C1 213559746 538190862 /nfs/dbraw/zinc/19/08/62/538190862.db2.gz GQNLOVFVDPNDBK-ZCFIWIBFSA-N 1 3 129.207 -0.974 20 0 ABADHO NC[C@@]1(N)CCC[NH2+]C1 213559697 538191776 /nfs/dbraw/zinc/19/17/76/538191776.db2.gz GQNLOVFVDPNDBK-LURJTMIESA-N 1 3 129.207 -0.974 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 306244234 538300810 /nfs/dbraw/zinc/30/08/10/538300810.db2.gz XEOUSYMMEQVMDI-VQVTYTSYSA-N 1 3 189.234 -0.850 20 0 ABADHO C[NH2+]CCNC(=O)[C@H](N)C(C)C 202552794 541315279 /nfs/dbraw/zinc/31/52/79/541315279.db2.gz VZFLSCPTCUNOKT-SSDOTTSWSA-N 1 3 173.260 -0.695 20 0 ABADHO CC(C)[N@H+](C)CCNCCC(N)=O 54112460 756964924 /nfs/dbraw/zinc/96/49/24/756964924.db2.gz GFIOUHWLNWNKBP-UHFFFAOYSA-N 1 3 187.287 -0.208 20 0 ABADHO CC(C)[N@@H+](C)CCNCCC(N)=O 54112460 756964938 /nfs/dbraw/zinc/96/49/38/756964938.db2.gz GFIOUHWLNWNKBP-UHFFFAOYSA-N 1 3 187.287 -0.208 20 0 ABADHO C[NH2+]CCCNC(=O)[C@H](C)N 83339703 756977434 /nfs/dbraw/zinc/97/74/34/756977434.db2.gz JUJJYUFCDVMLRX-LURJTMIESA-N 1 3 159.233 -0.941 20 0 ABADHO C[C@H](N)C(=O)N(C)CCC[NH+](C)C 77273857 756971897 /nfs/dbraw/zinc/97/18/97/756971897.db2.gz MULAZYOXGWQZDV-QMMMGPOBSA-N 1 3 187.287 -0.256 20 0 ABADHO C[C@@H](N)C(=O)N(C)CCC[NH+](C)C 77273861 756974303 /nfs/dbraw/zinc/97/43/03/756974303.db2.gz MULAZYOXGWQZDV-MRVPVSSYSA-N 1 3 187.287 -0.256 20 0 ABADHO C[NH2+]CCCNC(=O)C1(N)CC1 83340078 756975538 /nfs/dbraw/zinc/97/55/38/756975538.db2.gz QJDUZHOSXYDSAP-UHFFFAOYSA-N 1 3 171.244 -0.797 20 0 ABADHO CSCC[C@@H](N)C(=O)NCC[NH3+] 163599107 757008562 /nfs/dbraw/zinc/00/85/62/757008562.db2.gz GOSPWQITBVXBQF-ZCFIWIBFSA-N 1 3 191.300 -0.858 20 0 ABADHO C[NH2+]CCCNC(=O)[C@@H](N)CC1CC1 238337226 757038835 /nfs/dbraw/zinc/03/88/35/757038835.db2.gz HEPLGICCDQLOPG-VIFPVBQESA-N 1 3 199.298 -0.161 20 0 ABADHO CC1(C)C[NH2+]CC[C@H]1NCCO 300741810 757052960 /nfs/dbraw/zinc/05/29/60/757052960.db2.gz AVMIQDGQRGNUPE-MRVPVSSYSA-N 1 3 172.272 -0.044 20 0 ABADHO CC1(C)CNCC[C@H]1[NH2+]CCO 300741810 757052973 /nfs/dbraw/zinc/05/29/73/757052973.db2.gz AVMIQDGQRGNUPE-MRVPVSSYSA-N 1 3 172.272 -0.044 20 0 ABADHO CC1(C)C[NH2+]CC[C@@H]1NCCO 300741812 757053183 /nfs/dbraw/zinc/05/31/83/757053183.db2.gz AVMIQDGQRGNUPE-QMMMGPOBSA-N 1 3 172.272 -0.044 20 0 ABADHO CC1(C)CNCC[C@@H]1[NH2+]CCO 300741812 757053188 /nfs/dbraw/zinc/05/31/88/757053188.db2.gz AVMIQDGQRGNUPE-QMMMGPOBSA-N 1 3 172.272 -0.044 20 0 ABADHO NC1(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 306669078 757072067 /nfs/dbraw/zinc/07/20/67/757072067.db2.gz KVMWTASLVZJNEO-QMMMGPOBSA-N 1 3 197.282 -0.264 20 0 ABADHO NC1(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 306669077 757072825 /nfs/dbraw/zinc/07/28/25/757072825.db2.gz KVMWTASLVZJNEO-MRVPVSSYSA-N 1 3 197.282 -0.264 20 0 ABADHO CN(C(=O)CN)C1CC[NH2+]CC1 306768472 757076504 /nfs/dbraw/zinc/07/65/04/757076504.db2.gz ZADLDSIUARSNSS-UHFFFAOYSA-N 1 3 171.244 -0.845 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 306973229 757083538 /nfs/dbraw/zinc/08/35/38/757083538.db2.gz WYVWEIDYEZJZRK-SFYZADRCSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 306973228 757084698 /nfs/dbraw/zinc/08/46/98/757084698.db2.gz WYVWEIDYEZJZRK-HTQZYQBOSA-N 1 3 185.271 -0.551 20 0 ABADHO CC[C@H](C)C[C@H](N)C(=O)NCC[NH3+] 400902022 757144819 /nfs/dbraw/zinc/14/48/19/757144819.db2.gz LSUBFRYPIAVDHI-YUMQZZPRSA-N 1 3 187.287 -0.175 20 0 ABADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC[NH3+] 400902016 757148930 /nfs/dbraw/zinc/14/89/30/757148930.db2.gz LSUBFRYPIAVDHI-HTQZYQBOSA-N 1 3 187.287 -0.175 20 0 ABADHO CC[C@H](C)C[C@@H](N)C(=O)NCC[NH3+] 400902018 757150084 /nfs/dbraw/zinc/15/00/84/757150084.db2.gz LSUBFRYPIAVDHI-JGVFFNPUSA-N 1 3 187.287 -0.175 20 0 ABADHO CC[C@@H](C)C[C@H](N)C(=O)NCC[NH3+] 400902020 757150278 /nfs/dbraw/zinc/15/02/78/757150278.db2.gz LSUBFRYPIAVDHI-SFYZADRCSA-N 1 3 187.287 -0.175 20 0 ABADHO [NH3+][C@@]12CNCC[C@@H]1C2 34562415 572092617 /nfs/dbraw/zinc/09/26/17/572092617.db2.gz VAQYLZQUNFNAQN-RITPCOANSA-N 1 3 112.176 -0.303 20 0 ABADHO Cc1ccc(CNC(CN)C[NH3+])cn1 695288627 757410838 /nfs/dbraw/zinc/41/08/38/757410838.db2.gz BPTVBWNRUUTRDY-UHFFFAOYSA-N 1 3 194.282 -0.234 20 0 ABADHO Cc1cncc(CNC(CN)C[NH3+])c1 695289082 757415165 /nfs/dbraw/zinc/41/51/65/757415165.db2.gz DUAFPPDFZMVPTI-UHFFFAOYSA-N 1 3 194.282 -0.234 20 0 ABADHO Cc1cc(CNC(CN)C[NH3+])ccn1 695288604 757415181 /nfs/dbraw/zinc/41/51/81/757415181.db2.gz BAVQFZNNMWEDGG-UHFFFAOYSA-N 1 3 194.282 -0.234 20 0 ABADHO Cc1ncccc1CNC(CN)C[NH3+] 695288609 757415475 /nfs/dbraw/zinc/41/54/75/757415475.db2.gz BBKGCSOYROXYGX-UHFFFAOYSA-N 1 3 194.282 -0.234 20 0 ABADHO Cc1cnccc1CNC(CN)C[NH3+] 695289448 757416018 /nfs/dbraw/zinc/41/60/18/757416018.db2.gz MUQAURBYVSANHO-UHFFFAOYSA-N 1 3 194.282 -0.234 20 0 ABADHO CC(C)(N)C(=O)NC1CC[NH2+]CC1 80439270 573900166 /nfs/dbraw/zinc/90/01/66/573900166.db2.gz BGFOVUKOIGCFNY-UHFFFAOYSA-N 1 3 185.271 -0.408 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@H]1NCC1(C)C 380115599 572831107 /nfs/dbraw/zinc/83/11/07/572831107.db2.gz PJAUZISYZHUSAK-JGVFFNPUSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 1118204047 757665195 /nfs/dbraw/zinc/66/51/95/757665195.db2.gz YOHUYBGVRAIMKO-FXQIFTODSA-N 1 3 185.271 -0.423 20 0 ABADHO CN(CC[NH3+])C(=O)[C@H](N)CC(F)F 1118226026 757666496 /nfs/dbraw/zinc/66/64/96/757666496.db2.gz DTCFRXHCYJCDFW-RXMQYKEDSA-N 1 3 195.213 -0.614 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 1118229254 757666932 /nfs/dbraw/zinc/66/69/32/757666932.db2.gz YOHUYBGVRAIMKO-GJMOJQLCSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H](C)N 1118200898 757667059 /nfs/dbraw/zinc/66/70/59/757667059.db2.gz FUDLLKVMHIFSRU-NKWVEPMBSA-N 1 3 173.260 -0.423 20 0 ABADHO CNC[C@H](O)C[NH2+]CC1(O)CCC1 1118243634 757667297 /nfs/dbraw/zinc/66/72/97/757667297.db2.gz ZULHTOQHYTXKEJ-QMMMGPOBSA-N 1 3 188.271 -0.929 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 1118204049 757667542 /nfs/dbraw/zinc/66/75/42/757667542.db2.gz YOHUYBGVRAIMKO-XLPZGREQSA-N 1 3 185.271 -0.423 20 0 ABADHO CNC[C@@H](O)C[NH2+]CC1(O)CCC1 1118243633 757668187 /nfs/dbraw/zinc/66/81/87/757668187.db2.gz ZULHTOQHYTXKEJ-MRVPVSSYSA-N 1 3 188.271 -0.929 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 1118229253 757668369 /nfs/dbraw/zinc/66/83/69/757668369.db2.gz YOHUYBGVRAIMKO-CSMHCCOUSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 1118229251 757668925 /nfs/dbraw/zinc/66/89/25/757668925.db2.gz YOHUYBGVRAIMKO-BWZBUEFSSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 1118204046 757670389 /nfs/dbraw/zinc/67/03/89/757670389.db2.gz YOHUYBGVRAIMKO-BIIVOSGPSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 1118229256 757671256 /nfs/dbraw/zinc/67/12/56/757671256.db2.gz YOHUYBGVRAIMKO-PRJMDXOYSA-N 1 3 185.271 -0.423 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 1118204048 757672019 /nfs/dbraw/zinc/67/20/19/757672019.db2.gz YOHUYBGVRAIMKO-RNJXMRFFSA-N 1 3 185.271 -0.423 20 0 ABADHO CN(CC[NH3+])C(=O)[C@@H](N)CC(F)F 1118226027 757673139 /nfs/dbraw/zinc/67/31/39/757673139.db2.gz DTCFRXHCYJCDFW-YFKPBYRVSA-N 1 3 195.213 -0.614 20 0 ABADHO C[C@H](CCC[NH3+])NC(=O)[C@@H](C)N 1118200899 757673301 /nfs/dbraw/zinc/67/33/01/757673301.db2.gz FUDLLKVMHIFSRU-RNFRBKRXSA-N 1 3 173.260 -0.423 20 0 ABADHO C1COC[C@@H](CNC2CC[NH2+]CC2)N1 1118957617 757717786 /nfs/dbraw/zinc/71/77/86/757717786.db2.gz GTHZVKXDAWCJLE-SNVBAGLBSA-N 1 3 199.298 -0.684 20 0 ABADHO C1COC[C@H](CNC2CC[NH2+]CC2)N1 1118957613 757720630 /nfs/dbraw/zinc/72/06/30/757720630.db2.gz GTHZVKXDAWCJLE-JTQLQIEISA-N 1 3 199.298 -0.684 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 1119055802 757732261 /nfs/dbraw/zinc/73/22/61/757732261.db2.gz FNZIAJAPYZNZRJ-QYNIQEEDSA-N 1 3 171.244 -0.813 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 1119055801 757734943 /nfs/dbraw/zinc/73/49/43/757734943.db2.gz FNZIAJAPYZNZRJ-FSDSQADBSA-N 1 3 171.244 -0.813 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 1119241818 757738819 /nfs/dbraw/zinc/73/88/19/757738819.db2.gz MKRIRNIGGZGGKW-FXQIFTODSA-N 1 3 185.271 -0.280 20 0 ABADHO NC1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 1119241802 757743005 /nfs/dbraw/zinc/74/30/05/757743005.db2.gz LONWUXZNJSVBKM-KNVOCYPGSA-N 1 3 183.255 -0.669 20 0 ABADHO NC1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1 1119300633 757744346 /nfs/dbraw/zinc/74/43/46/757744346.db2.gz BDGPLXBYPWNSDS-ZKCHVHJHSA-N 1 3 197.282 -0.136 20 0 ABADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH3+] 1119239318 757748525 /nfs/dbraw/zinc/74/85/25/757748525.db2.gz JKRQRBRITXZSLP-LURJTMIESA-N 1 3 196.254 -0.276 20 0 ABADHO NCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 1119300597 757751038 /nfs/dbraw/zinc/75/10/38/757751038.db2.gz AKUSLNGNUCNCOX-LJGSYFOKSA-N 1 3 171.244 -0.669 20 0 ABADHO CCN(C(=O)[C@H](C)N)[C@@H]1CC[NH2+]C1 1119379960 757753177 /nfs/dbraw/zinc/75/31/77/757753177.db2.gz CLZXPJUZTNHDLE-JGVFFNPUSA-N 1 3 185.271 -0.456 20 0 ABADHO CC[C@@H](N)C(=O)N(CC)[C@H]1CC[NH2+]C1 1119380841 757759990 /nfs/dbraw/zinc/75/99/90/757759990.db2.gz METFQMQJLMLQGN-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO CCN(C(=O)[C@@H](C)N)[C@@H]1CC[NH2+]C1 1119379959 757762169 /nfs/dbraw/zinc/76/21/69/757762169.db2.gz CLZXPJUZTNHDLE-HTQZYQBOSA-N 1 3 185.271 -0.456 20 0 ABADHO CCN(C(=O)[C@@H](C)N)[C@H]1CC[NH2+]C1 1119379961 757762657 /nfs/dbraw/zinc/76/26/57/757762657.db2.gz CLZXPJUZTNHDLE-SFYZADRCSA-N 1 3 185.271 -0.456 20 0 ABADHO CC[C@@H](N)C(=O)N(CC)[C@@H]1CC[NH2+]C1 1119380842 757763706 /nfs/dbraw/zinc/76/37/06/757763706.db2.gz METFQMQJLMLQGN-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CCN(C(=O)[C@H](C)N)[C@H]1CC[NH2+]C1 1119379962 757766174 /nfs/dbraw/zinc/76/61/74/757766174.db2.gz CLZXPJUZTNHDLE-YUMQZZPRSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H](N)C(=O)N1CCC2(CC1)C[NH2+]C2 1122052338 757831134 /nfs/dbraw/zinc/83/11/34/757831134.db2.gz NEHBYELNMSWDEO-QMMMGPOBSA-N 1 3 197.282 -0.454 20 0 ABADHO C[C@@H](N)C(=O)N1CCC2(CC1)C[NH2+]C2 1122129369 757832201 /nfs/dbraw/zinc/83/22/01/757832201.db2.gz NEHBYELNMSWDEO-MRVPVSSYSA-N 1 3 197.282 -0.454 20 0 ABADHO CC[C@H](C(=O)NCC1([NH3+])CC1)N(C)C 1122261740 757834089 /nfs/dbraw/zinc/83/40/89/757834089.db2.gz PZSYAUUMXOKJPR-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[C@@H](C(=O)NCC1([NH3+])CC1)N(C)C 1122261742 757833676 /nfs/dbraw/zinc/83/36/76/757833676.db2.gz PZSYAUUMXOKJPR-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO NC1(C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 1122212549 757833993 /nfs/dbraw/zinc/83/39/93/757833993.db2.gz TVHQPOXKRNSZIA-MRVPVSSYSA-N 1 3 197.282 -0.325 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@H](CC[NH3+])C1 1122295300 757834012 /nfs/dbraw/zinc/83/40/12/757834012.db2.gz HPOIKDWRUKAFPV-YUMQZZPRSA-N 1 3 185.271 -0.469 20 0 ABADHO NC1(C(=O)N2CC[C@H](CC[NH3+])C2)CC1 1122212550 757834141 /nfs/dbraw/zinc/83/41/41/757834141.db2.gz TVHQPOXKRNSZIA-QMMMGPOBSA-N 1 3 197.282 -0.325 20 0 ABADHO C[C@H](N)C(=O)N1CC[C@@H](CC[NH3+])C1 1122295299 757834319 /nfs/dbraw/zinc/83/43/19/757834319.db2.gz HPOIKDWRUKAFPV-JGVFFNPUSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H](N)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 1122215807 757834531 /nfs/dbraw/zinc/83/45/31/757834531.db2.gz CELXQOOKGMQYIH-XHNCKOQMSA-N 1 3 197.282 -0.599 20 0 ABADHO CC[C@H](N)C(=O)NCC1([NH3+])CC1 1122263874 757835042 /nfs/dbraw/zinc/83/50/42/757835042.db2.gz LSENQXQSAOXIFJ-LURJTMIESA-N 1 3 171.244 -0.669 20 0 ABADHO C[C@@H](N)C(=O)N(C)CC1CC[NH2+]CC1 1122476405 757837191 /nfs/dbraw/zinc/83/71/91/757837191.db2.gz XTLPXYXAVUMJMQ-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)(C)[C@H](N)C(=O)NCC1([NH3+])CC1 1122349425 757837947 /nfs/dbraw/zinc/83/79/47/757837947.db2.gz QKAJNORUSMJIDR-SSDOTTSWSA-N 1 3 199.298 -0.033 20 0 ABADHO CC[C@@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1 1122578141 757838839 /nfs/dbraw/zinc/83/88/39/757838839.db2.gz DJQUSMCRKIMEGF-FSDSQADBSA-N 1 3 171.244 -0.670 20 0 ABADHO CC[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1 1122578140 757839938 /nfs/dbraw/zinc/83/99/38/757839938.db2.gz DJQUSMCRKIMEGF-ACZMJKKPSA-N 1 3 171.244 -0.670 20 0 ABADHO CCN(C(=O)[C@@H](C)N)C1CC[NH2+]CC1 1122495822 757840261 /nfs/dbraw/zinc/84/02/61/757840261.db2.gz HBMIPKDCKNITQO-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH3+])C1 1122489234 757840332 /nfs/dbraw/zinc/84/03/32/757840332.db2.gz DMWZESZYLGAUMJ-KYZUINATSA-N 1 3 199.298 -0.068 20 0 ABADHO CCNCC(=O)N[C@@H]1CCC[NH2+]C1 308516126 573192892 /nfs/dbraw/zinc/19/28/92/573192892.db2.gz NONWKTNWDIXUHI-MRVPVSSYSA-N 1 3 185.271 -0.536 20 0 ABADHO CN(C)CCNC(=O)C[C@@H]([NH3+])C1CC1 129737645 573359017 /nfs/dbraw/zinc/35/90/17/573359017.db2.gz CRRWSAXWPYEXNC-SECBINFHSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)C1(N)CC1 308384877 573412130 /nfs/dbraw/zinc/41/21/30/573412130.db2.gz SXSAGDYSALTVAJ-ZCFIWIBFSA-N 1 3 171.244 -0.669 20 0 ABADHO CCNCC(=O)NC[C@H](C)C[NH3+] 308396610 573513877 /nfs/dbraw/zinc/51/38/77/573513877.db2.gz FBTVRBSUADQHOA-SSDOTTSWSA-N 1 3 173.260 -0.693 20 0 ABADHO CC[NH2+]CC(=O)N1C[C@@H](C)N[C@H](C)C1 308869286 573536263 /nfs/dbraw/zinc/53/62/63/573536263.db2.gz IKBPJBCQPGYVSW-RKDXNWHRSA-N 1 3 199.298 -0.195 20 0 ABADHO CCNCC(=O)N(C)CCC[NH3+] 308195127 572925557 /nfs/dbraw/zinc/92/55/57/572925557.db2.gz RRHAKPKKFQODBA-UHFFFAOYSA-N 1 3 173.260 -0.597 20 0 ABADHO NC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 82393528 573024654 /nfs/dbraw/zinc/02/46/54/573024654.db2.gz UDYIKFSNNSFXBN-JGVFFNPUSA-N 1 3 198.270 -0.667 20 0 ABADHO CCNCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 308858751 573312065 /nfs/dbraw/zinc/31/20/65/573312065.db2.gz AAUMFHDOTKCTCA-BDAKNGLRSA-N 1 3 199.298 -0.147 20 0 ABADHO C[NH+](C)CCn1cc(CN)nn1 50224570 573322750 /nfs/dbraw/zinc/32/27/50/573322750.db2.gz OJELCBJQOTWKTF-UHFFFAOYSA-N 1 3 169.232 -0.702 20 0 ABADHO CCNCC(=O)N[C@@H]1CC[NH2+]C1 308393166 573495854 /nfs/dbraw/zinc/49/58/54/573495854.db2.gz BUYVRQIIOIOFRH-SSDOTTSWSA-N 1 3 171.244 -0.926 20 0 ABADHO CCNCC(=O)NCC[C@H](C)[NH3+] 308406134 573613920 /nfs/dbraw/zinc/61/39/20/573613920.db2.gz LZMXAPOPLZWMJY-ZETCQYMHSA-N 1 3 173.260 -0.551 20 0 ABADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C[NH3+] 308659856 573625632 /nfs/dbraw/zinc/62/56/32/573625632.db2.gz PLTRHYJQHCBEOK-YUMQZZPRSA-N 1 3 187.287 -0.177 20 0 ABADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)C[NH3+] 308659845 573628177 /nfs/dbraw/zinc/62/81/77/573628177.db2.gz PLTRHYJQHCBEOK-JGVFFNPUSA-N 1 3 187.287 -0.177 20 0 ABADHO CNCC(=O)N1CCC[C@@H](C[NH2+]C)C1 308873313 573629836 /nfs/dbraw/zinc/62/98/36/573629836.db2.gz LXCLEGNFWWTYTF-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO CCNCC(=O)NC[C@H]([NH3+])C1CC1 308666659 573663023 /nfs/dbraw/zinc/66/30/23/573663023.db2.gz SSYIQLSCFMYAQB-QMMMGPOBSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@H](N)CC(F)F 308666683 573663372 /nfs/dbraw/zinc/66/33/72/573663372.db2.gz SUGBMJVZXKFDQU-RFZPGFLSSA-N 1 3 195.213 -0.568 20 0 ABADHO NC1(C(=O)NC2CCC([NH3+])CC2)CC1 83835812 573676113 /nfs/dbraw/zinc/67/61/13/573676113.db2.gz BDGPLXBYPWNSDS-UHFFFAOYSA-N 1 3 197.282 -0.136 20 0 ABADHO C[C@H]1CN(CCO)CC[C@@H]1[NH3+] 86886476 573679235 /nfs/dbraw/zinc/67/92/35/573679235.db2.gz XCWCPRFHVMGTAP-YUMQZZPRSA-N 1 3 158.245 -0.352 20 0 ABADHO CCNCC(=O)N1CC[C@@H]([NH2+]C)C1 308687731 573703109 /nfs/dbraw/zinc/70/31/09/573703109.db2.gz BIQDRECRDOIDQO-MRVPVSSYSA-N 1 3 185.271 -0.584 20 0 ABADHO CC[C@@H](N)C(=O)NCCCC[NH3+] 40832488 573719072 /nfs/dbraw/zinc/71/90/72/573719072.db2.gz GKVQJTMQIBIXPC-SSDOTTSWSA-N 1 3 173.260 -0.421 20 0 ABADHO CNCC(=O)N1CC[C@H](C[NH2+]C)C1 308716922 573776304 /nfs/dbraw/zinc/77/63/04/573776304.db2.gz BPVIYTMFSPRMBD-MRVPVSSYSA-N 1 3 185.271 -0.726 20 0 ABADHO C[C@@H](O)[C@@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1 87141046 573798983 /nfs/dbraw/zinc/79/89/83/573798983.db2.gz QEJFORRNLPGXJO-KYXWUPHJSA-N 1 3 184.283 -0.093 20 0 ABADHO CNCC(=O)NC[C@@H]1CCC[NH2+]C1 308750586 573824740 /nfs/dbraw/zinc/82/47/40/573824740.db2.gz UJIBEQITMJEDAW-MRVPVSSYSA-N 1 3 185.271 -0.678 20 0 ABADHO CNCC(=O)NC[C@H]1CCC[NH2+]C1 308750588 573826001 /nfs/dbraw/zinc/82/60/01/573826001.db2.gz UJIBEQITMJEDAW-QMMMGPOBSA-N 1 3 185.271 -0.678 20 0 ABADHO CC[NH2+]CC(=O)NCCN1CCCC1 44647150 573921075 /nfs/dbraw/zinc/92/10/75/573921075.db2.gz PKWXGONLGVLXKI-UHFFFAOYSA-N 1 3 199.298 -0.192 20 0 ABADHO CC[NH2+]CC(=O)NC[C@@H](C)N(C)C 44650784 573923515 /nfs/dbraw/zinc/92/35/15/573923515.db2.gz OXRREQOSEQOOMO-MRVPVSSYSA-N 1 3 187.287 -0.338 20 0 ABADHO CC[NH2+]CC(=O)NC[C@H](C)N(C)C 44650785 573923601 /nfs/dbraw/zinc/92/36/01/573923601.db2.gz OXRREQOSEQOOMO-QMMMGPOBSA-N 1 3 187.287 -0.338 20 0 ABADHO CC[NH2+]CC(=O)NCCN(C)C 44646607 573923648 /nfs/dbraw/zinc/92/36/48/573923648.db2.gz RHIKYBKATBEREQ-UHFFFAOYSA-N 1 3 173.260 -0.726 20 0 ABADHO CC[C@@H](C[NH3+])C(=O)NCCN(C)C 44795909 573926466 /nfs/dbraw/zinc/92/64/66/573926466.db2.gz PFSFJCRGVGHSJM-QMMMGPOBSA-N 1 3 187.287 -0.351 20 0 ABADHO CC[C@H](C[NH3+])C(=O)NCCN(C)C 44795912 573930162 /nfs/dbraw/zinc/93/01/62/573930162.db2.gz PFSFJCRGVGHSJM-MRVPVSSYSA-N 1 3 187.287 -0.351 20 0 ABADHO CCNCC(=O)N1CC[C@](C)(C[NH3+])C1 308882093 573986494 /nfs/dbraw/zinc/98/64/94/573986494.db2.gz UQWUATAYCDWXKM-SNVBAGLBSA-N 1 3 199.298 -0.207 20 0 ABADHO C[C@H](N)C(=O)NC1CC[NH2+]CC1 82255740 573994988 /nfs/dbraw/zinc/99/49/88/573994988.db2.gz GVYJMWURMVJMHR-LURJTMIESA-N 1 3 171.244 -0.798 20 0 ABADHO CNCC(=O)N1CCC([NH3+])CC1 82256302 573998192 /nfs/dbraw/zinc/99/81/92/573998192.db2.gz OBLVUPQRDVURSN-UHFFFAOYSA-N 1 3 171.244 -0.845 20 0 ABADHO C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 85283292 574027817 /nfs/dbraw/zinc/02/78/17/574027817.db2.gz NJGBWECZJFRKLA-IWSPIJDZSA-N 1 3 170.256 -0.482 20 0 ABADHO C[C@H](CNC(N)=[NH2+])N1CCCC1 112332646 574036655 /nfs/dbraw/zinc/03/66/55/574036655.db2.gz WBBAKKCUVAVMAQ-SSDOTTSWSA-N 1 3 170.260 -0.046 20 0 ABADHO CCN(C(=O)[C@@H](C)N)[C@H]1CCC[NH2+]C1 1161333445 760816424 /nfs/dbraw/zinc/81/64/24/760816424.db2.gz UPZBKQIJRVFZOE-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO CCN(C(=O)[C@@H](C)N)[C@@H]1CCC[NH2+]C1 1161333446 760817086 /nfs/dbraw/zinc/81/70/86/760817086.db2.gz UPZBKQIJRVFZOE-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CCN(CCC[NH3+])CCOCCO 40228747 1169087139 /nfs/dbraw/zinc/08/71/39/1169087139.db2.gz XSVLWEYBXZHBLL-UHFFFAOYSA-N 1 3 190.287 -0.334 20 0 ABADHO CC[N@@H+]1CCC[C@@H](CNC(=O)CN)C1 83889401 1169115704 /nfs/dbraw/zinc/11/57/04/1169115704.db2.gz MKPUVWKRXULFCA-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO CC[N@H+]1CCC[C@@H](CNC(=O)CN)C1 83889401 1169115707 /nfs/dbraw/zinc/11/57/07/1169115707.db2.gz MKPUVWKRXULFCA-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO CC[N@@H+]1CCC[C@H](CNC(=O)CN)C1 83889400 1169116785 /nfs/dbraw/zinc/11/67/85/1169116785.db2.gz MKPUVWKRXULFCA-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO CC[N@H+]1CCC[C@H](CNC(=O)CN)C1 83889400 1169116789 /nfs/dbraw/zinc/11/67/89/1169116789.db2.gz MKPUVWKRXULFCA-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO C[C@@H]1CCN(CCO)C[C@@H]1C[NH3+] 163806715 673965801 /nfs/dbraw/zinc/96/58/01/673965801.db2.gz VIDNVQGHFOOHHX-BDAKNGLRSA-N 1 3 172.272 -0.105 20 0 ABADHO C[C@H]1CCN(CCO)C[C@@H]1C[NH3+] 163806818 673966023 /nfs/dbraw/zinc/96/60/23/673966023.db2.gz VIDNVQGHFOOHHX-IUCAKERBSA-N 1 3 172.272 -0.105 20 0 ABADHO C[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 139788838 1169199598 /nfs/dbraw/zinc/19/95/98/1169199598.db2.gz NLTILXHHTDDUIE-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 139788952 1169200001 /nfs/dbraw/zinc/20/00/01/1169200001.db2.gz NLTILXHHTDDUIE-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO NCC(=O)N[C@@H](CC[NH3+])C(F)F 145903746 1169227037 /nfs/dbraw/zinc/22/70/37/1169227037.db2.gz STIJYYWTCOUDJZ-BYPYZUCNSA-N 1 3 181.186 -0.956 20 0 ABADHO NCC(=O)N[C@H](CC[NH3+])C(F)F 145903544 1169227467 /nfs/dbraw/zinc/22/74/67/1169227467.db2.gz STIJYYWTCOUDJZ-SCSAIBSYSA-N 1 3 181.186 -0.956 20 0 ABADHO C[C@H](CCC[NH3+])NC(=O)CN 146049224 1169228023 /nfs/dbraw/zinc/22/80/23/1169228023.db2.gz RAJDONIVYFDZGU-ZCFIWIBFSA-N 1 3 159.233 -0.811 20 0 ABADHO C[C@@H](CCC[NH3+])NC(=O)CN 146049022 1169228225 /nfs/dbraw/zinc/22/82/25/1169228225.db2.gz RAJDONIVYFDZGU-LURJTMIESA-N 1 3 159.233 -0.811 20 0 ABADHO C[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C 831970909 674032920 /nfs/dbraw/zinc/03/29/20/674032920.db2.gz NYZUKAJKHUNQGE-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C 831970909 674032925 /nfs/dbraw/zinc/03/29/25/674032925.db2.gz NYZUKAJKHUNQGE-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C 831970904 674032967 /nfs/dbraw/zinc/03/29/67/674032967.db2.gz NYZUKAJKHUNQGE-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C 831970904 674032971 /nfs/dbraw/zinc/03/29/71/674032971.db2.gz NYZUKAJKHUNQGE-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H](C)N 831970906 674032999 /nfs/dbraw/zinc/03/29/99/674032999.db2.gz NYZUKAJKHUNQGE-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H](C)N 831970906 674033002 /nfs/dbraw/zinc/03/30/02/674033002.db2.gz NYZUKAJKHUNQGE-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C 831970907 674033084 /nfs/dbraw/zinc/03/30/84/674033084.db2.gz NYZUKAJKHUNQGE-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C 831970907 674033088 /nfs/dbraw/zinc/03/30/88/674033088.db2.gz NYZUKAJKHUNQGE-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H](C[NH+](C)C)C1 211757311 1169331386 /nfs/dbraw/zinc/33/13/86/1169331386.db2.gz ZGWOWUHCTGKMJT-RKDXNWHRSA-N 1 3 199.298 -0.256 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 211757393 1169332057 /nfs/dbraw/zinc/33/20/57/1169332057.db2.gz ZGWOWUHCTGKMJT-BDAKNGLRSA-N 1 3 199.298 -0.256 20 0 ABADHO NCC(=O)NC[C@@H]1CCC[NH2+]C1 212911431 1169333727 /nfs/dbraw/zinc/33/37/27/1169333727.db2.gz BCSJGYCDIPHKPX-SSDOTTSWSA-N 1 3 171.244 -0.939 20 0 ABADHO NCC(=O)NC[C@H]1CCC[NH2+]C1 212911379 1169333945 /nfs/dbraw/zinc/33/39/45/1169333945.db2.gz BCSJGYCDIPHKPX-ZETCQYMHSA-N 1 3 171.244 -0.939 20 0 ABADHO C[NH2+]CC1CCN(C(=O)CN)CC1 218672602 1169340382 /nfs/dbraw/zinc/34/03/82/1169340382.db2.gz PASTYKWFAFXSFE-UHFFFAOYSA-N 1 3 185.271 -0.597 20 0 ABADHO NCC(=O)N1CCC(CC[NH3+])CC1 222426300 1169358476 /nfs/dbraw/zinc/35/84/76/1169358476.db2.gz JRGVZUAWIQPNOW-UHFFFAOYSA-N 1 3 185.271 -0.468 20 0 ABADHO COC[C@@H](O)CN1CC[C@@H](C[NH3+])C1 225485018 1169370496 /nfs/dbraw/zinc/37/04/96/1169370496.db2.gz LROGNNSIUOGBGR-IUCAKERBSA-N 1 3 188.271 -0.726 20 0 ABADHO COC[C@H](O)CN1CC[C@@H](C[NH3+])C1 225485052 1169370641 /nfs/dbraw/zinc/37/06/41/1169370641.db2.gz LROGNNSIUOGBGR-DTWKUNHWSA-N 1 3 188.271 -0.726 20 0 ABADHO CN(CCC(N)=O)C[C@@H]1CCC[NH2+]C1 234274544 1169414456 /nfs/dbraw/zinc/41/44/56/1169414456.db2.gz GPCCDVJAFBELBU-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 306180091 1169465256 /nfs/dbraw/zinc/46/52/56/1169465256.db2.gz WYVWEIDYEZJZRK-JGVFFNPUSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 306180092 1169465496 /nfs/dbraw/zinc/46/54/96/1169465496.db2.gz WYVWEIDYEZJZRK-YUMQZZPRSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 306232585 1169467041 /nfs/dbraw/zinc/46/70/41/1169467041.db2.gz DTEZBOUYJRTEGO-HTQZYQBOSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 306232590 1169467750 /nfs/dbraw/zinc/46/77/50/1169467750.db2.gz DTEZBOUYJRTEGO-SFYZADRCSA-N 1 3 185.271 -0.469 20 0 ABADHO NC1(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 306274055 1169471076 /nfs/dbraw/zinc/47/10/76/1169471076.db2.gz PBGHDQMXGBZRKX-QMMMGPOBSA-N 1 3 197.282 -0.407 20 0 ABADHO NC1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 306274051 1169471129 /nfs/dbraw/zinc/47/11/29/1169471129.db2.gz PBGHDQMXGBZRKX-MRVPVSSYSA-N 1 3 197.282 -0.407 20 0 ABADHO C[C@@]1(C[NH3+])CCN(C(=O)CN)C1 306357097 1169473634 /nfs/dbraw/zinc/47/36/34/1169473634.db2.gz UGEPNDLXPAPQOS-QMMMGPOBSA-N 1 3 171.244 -0.858 20 0 ABADHO C[NH2+][C@H]1CCN(C(=O)C2(N)CC2)C1 306355879 1169473828 /nfs/dbraw/zinc/47/38/28/1169473828.db2.gz SITVKQOSEDZKHK-ZETCQYMHSA-N 1 3 183.255 -0.702 20 0 ABADHO C[NH2+][C@@H]1CCN(C(=O)C2(N)CC2)C1 306355878 1169473881 /nfs/dbraw/zinc/47/38/81/1169473881.db2.gz SITVKQOSEDZKHK-SSDOTTSWSA-N 1 3 183.255 -0.702 20 0 ABADHO C[C@]1(C[NH3+])CCN(C(=O)CN)C1 306357096 1169474870 /nfs/dbraw/zinc/47/48/70/1169474870.db2.gz UGEPNDLXPAPQOS-MRVPVSSYSA-N 1 3 171.244 -0.858 20 0 ABADHO NCC(=O)N1CCC2(CC[NH2+]CC2)C1 306392384 1169476509 /nfs/dbraw/zinc/47/65/09/1169476509.db2.gz BLTVAHLFALWJND-UHFFFAOYSA-N 1 3 197.282 -0.453 20 0 ABADHO CN(C(=O)CN)C1CCC([NH3+])CC1 306416803 1169478698 /nfs/dbraw/zinc/47/86/98/1169478698.db2.gz RJHFNGFEPCCQFT-UHFFFAOYSA-N 1 3 185.271 -0.327 20 0 ABADHO C[C@@H]1CN(C(=O)C2(N)CC2)CC[C@H]1[NH3+] 306457976 1169480922 /nfs/dbraw/zinc/48/09/22/1169480922.db2.gz XGRZZJHCYOKPCJ-HTQZYQBOSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@H]1CN(C(=O)C2(N)CC2)CC[C@H]1[NH3+] 306457977 1169481259 /nfs/dbraw/zinc/48/12/59/1169481259.db2.gz XGRZZJHCYOKPCJ-JGVFFNPUSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@H]1CN(C(=O)C2(N)CC2)CC[C@@H]1[NH3+] 306457979 1169481636 /nfs/dbraw/zinc/48/16/36/1169481636.db2.gz XGRZZJHCYOKPCJ-YUMQZZPRSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@@H]1CN(C(=O)C2(N)CC2)CC[C@@H]1[NH3+] 306457978 1169481703 /nfs/dbraw/zinc/48/17/03/1169481703.db2.gz XGRZZJHCYOKPCJ-SFYZADRCSA-N 1 3 197.282 -0.327 20 0 ABADHO NC1(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2)CC1 307079029 1169501363 /nfs/dbraw/zinc/50/13/63/1169501363.db2.gz HJOSJYRTXABZQA-OCAPTIKFSA-N 1 3 195.266 -0.845 20 0 ABADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2(N)CC2)C1 307221618 1169510129 /nfs/dbraw/zinc/51/01/29/1169510129.db2.gz PVWSPXOULKJESC-YUMQZZPRSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2(N)CC2)C1 307221615 1169510737 /nfs/dbraw/zinc/51/07/37/1169510737.db2.gz PVWSPXOULKJESC-HTQZYQBOSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2(N)CC2)C1 307221616 1169512109 /nfs/dbraw/zinc/51/21/09/1169512109.db2.gz PVWSPXOULKJESC-JGVFFNPUSA-N 1 3 197.282 -0.327 20 0 ABADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2(N)CC2)C1 307221617 1169512271 /nfs/dbraw/zinc/51/22/71/1169512271.db2.gz PVWSPXOULKJESC-SFYZADRCSA-N 1 3 197.282 -0.327 20 0 ABADHO NC1(C(=O)NCC2CC[NH2+]CC2)CC1 307404212 1169519536 /nfs/dbraw/zinc/51/95/36/1169519536.db2.gz CLTLZJCZMXUYOI-UHFFFAOYSA-N 1 3 197.282 -0.407 20 0 ABADHO C[C@@]1(C[NH3+])CCN(C(=O)C2(N)CC2)C1 307430363 1169519953 /nfs/dbraw/zinc/51/99/53/1169519953.db2.gz VNUCHUYGMISROO-VIFPVBQESA-N 1 3 197.282 -0.325 20 0 ABADHO NC1(C(=O)N2CCC[C@H](C[NH3+])C2)CC1 307393211 1169520222 /nfs/dbraw/zinc/52/02/22/1169520222.db2.gz BHSPERSDOKGYST-MRVPVSSYSA-N 1 3 197.282 -0.325 20 0 ABADHO C[C@]1(C[NH3+])CCN(C(=O)C2(N)CC2)C1 307430362 1169520587 /nfs/dbraw/zinc/52/05/87/1169520587.db2.gz VNUCHUYGMISROO-SECBINFHSA-N 1 3 197.282 -0.325 20 0 ABADHO NC1(C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 307393212 1169521120 /nfs/dbraw/zinc/52/11/20/1169521120.db2.gz BHSPERSDOKGYST-QMMMGPOBSA-N 1 3 197.282 -0.325 20 0 ABADHO C[C@H]1C[C@H](NC(=O)C2(N)CC2)CC[NH2+]1 307491516 1169523448 /nfs/dbraw/zinc/52/34/48/1169523448.db2.gz PRMMNAACEVBHLS-JGVFFNPUSA-N 1 3 197.282 -0.266 20 0 ABADHO C[C@@H]1C[C@H](NC(=O)C2(N)CC2)CC[NH2+]1 307491515 1169524035 /nfs/dbraw/zinc/52/40/35/1169524035.db2.gz PRMMNAACEVBHLS-HTQZYQBOSA-N 1 3 197.282 -0.266 20 0 ABADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CC2)CC[NH2+]1 307491517 1169524526 /nfs/dbraw/zinc/52/45/26/1169524526.db2.gz PRMMNAACEVBHLS-SFYZADRCSA-N 1 3 197.282 -0.266 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)C2(N)CC2)CC[NH2+]1 307491518 1169524534 /nfs/dbraw/zinc/52/45/34/1169524534.db2.gz PRMMNAACEVBHLS-YUMQZZPRSA-N 1 3 197.282 -0.266 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1 307591944 1169531072 /nfs/dbraw/zinc/53/10/72/1169531072.db2.gz CTABARJUNJNEAQ-RNFRBKRXSA-N 1 3 171.244 -0.859 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 307591946 1169531840 /nfs/dbraw/zinc/53/18/40/1169531840.db2.gz CTABARJUNJNEAQ-RQJHMYQMSA-N 1 3 171.244 -0.859 20 0 ABADHO NC1(C(=O)N2CC[C@@H](C[NH3+])C2)CC1 307629091 1169534484 /nfs/dbraw/zinc/53/44/84/1169534484.db2.gz XEDDZJRVEWJECR-ZETCQYMHSA-N 1 3 183.255 -0.715 20 0 ABADHO NC1(C(=O)N2CC[C@H](C[NH3+])C2)CC1 307629090 1169534531 /nfs/dbraw/zinc/53/45/31/1169534531.db2.gz XEDDZJRVEWJECR-SSDOTTSWSA-N 1 3 183.255 -0.715 20 0 ABADHO C[NH2+][C@@H](C)CCNC(=O)[C@H](C)N 308182627 1169546103 /nfs/dbraw/zinc/54/61/03/1169546103.db2.gz HHOQLFPYQUITAK-BQBZGAKWSA-N 1 3 173.260 -0.552 20 0 ABADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](C)N)C1 307748627 1169541294 /nfs/dbraw/zinc/54/12/94/1169541294.db2.gz CMJSBOFBRNGYCT-RNJXMRFFSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 307748626 1169541476 /nfs/dbraw/zinc/54/14/76/1169541476.db2.gz CMJSBOFBRNGYCT-PRJMDXOYSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](C)N)C1 307748628 1169542546 /nfs/dbraw/zinc/54/25/46/1169542546.db2.gz CMJSBOFBRNGYCT-XLPZGREQSA-N 1 3 185.271 -0.471 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 307748625 1169542582 /nfs/dbraw/zinc/54/25/82/1169542582.db2.gz CMJSBOFBRNGYCT-BWZBUEFSSA-N 1 3 185.271 -0.471 20 0 ABADHO C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)N 308182628 1169546157 /nfs/dbraw/zinc/54/61/57/1169546157.db2.gz HHOQLFPYQUITAK-NKWVEPMBSA-N 1 3 173.260 -0.552 20 0 ABADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)N)C1 308974248 1169552955 /nfs/dbraw/zinc/55/29/55/1169552955.db2.gz GDRZCCXCDLFOQL-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+]CC1CCN(C(=O)[C@H](C)N)CC1 309013485 1169553024 /nfs/dbraw/zinc/55/30/24/1169553024.db2.gz SQWVYHXFCYMWKW-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+]C[C@H]1CCN(C(=O)C2(N)CC2)C1 309020769 1169553205 /nfs/dbraw/zinc/55/32/05/1169553205.db2.gz WUNZATSLENXVPE-MRVPVSSYSA-N 1 3 197.282 -0.454 20 0 ABADHO C[NH2+]C[C@@H]1CCN(C(=O)C2(N)CC2)C1 309020770 1169553251 /nfs/dbraw/zinc/55/32/51/1169553251.db2.gz WUNZATSLENXVPE-QMMMGPOBSA-N 1 3 197.282 -0.454 20 0 ABADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)N)C1 308974247 1169553264 /nfs/dbraw/zinc/55/32/64/1169553264.db2.gz GDRZCCXCDLFOQL-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO NCC(C[NH3+])NCc1ccon1 379352705 1169572431 /nfs/dbraw/zinc/57/24/31/1169572431.db2.gz CJOFSDRGMNTXOA-UHFFFAOYSA-N 1 3 170.216 -0.950 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)C1(N)CC1 379377925 1169579974 /nfs/dbraw/zinc/57/99/74/1169579974.db2.gz ZLBQHPCZUHRVDV-LURJTMIESA-N 1 3 171.244 -0.669 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H](N)CC(F)F 379569202 1169585531 /nfs/dbraw/zinc/58/55/31/1169585531.db2.gz APWKTWFVPORSSX-YFKPBYRVSA-N 1 3 195.213 -0.696 20 0 ABADHO C[NH2+]CCNC(=O)[C@H](N)CC(F)F 379569199 1169587488 /nfs/dbraw/zinc/58/74/88/1169587488.db2.gz APWKTWFVPORSSX-RXMQYKEDSA-N 1 3 195.213 -0.696 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1 379576321 1169588725 /nfs/dbraw/zinc/58/87/25/1169588725.db2.gz NPVLXJSBOQVREN-HTQZYQBOSA-N 1 3 185.271 -0.469 20 0 ABADHO NCC(=O)N1CCC[C@@H](CC[NH3+])C1 379580328 1169588757 /nfs/dbraw/zinc/58/87/57/1169588757.db2.gz YSGVRYXPXMRJII-QMMMGPOBSA-N 1 3 185.271 -0.468 20 0 ABADHO NCC(=O)N1CCC[C@H](CC[NH3+])C1 379580327 1169588868 /nfs/dbraw/zinc/58/88/68/1169588868.db2.gz YSGVRYXPXMRJII-MRVPVSSYSA-N 1 3 185.271 -0.468 20 0 ABADHO C[NH2+][C@@H](C)CCNC(=O)C1(N)CC1 379593976 1169590089 /nfs/dbraw/zinc/59/00/89/1169590089.db2.gz CDUBLNUBPXHSRS-ZETCQYMHSA-N 1 3 185.271 -0.408 20 0 ABADHO C[NH2+][C@H](C)CCNC(=O)C1(N)CC1 379593975 1169590479 /nfs/dbraw/zinc/59/04/79/1169590479.db2.gz CDUBLNUBPXHSRS-SSDOTTSWSA-N 1 3 185.271 -0.408 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 379576322 1169590872 /nfs/dbraw/zinc/59/08/72/1169590872.db2.gz NPVLXJSBOQVREN-JGVFFNPUSA-N 1 3 185.271 -0.469 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H](C)C[NH2+]C 379631111 1169591710 /nfs/dbraw/zinc/59/17/10/1169591710.db2.gz NOQXUJANXYXMKW-HTQZYQBOSA-N 1 3 187.287 -0.305 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H](C)C[NH2+]C 379631112 1169592122 /nfs/dbraw/zinc/59/21/22/1169592122.db2.gz NOQXUJANXYXMKW-JGVFFNPUSA-N 1 3 187.287 -0.305 20 0 ABADHO C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 379619990 1169592696 /nfs/dbraw/zinc/59/26/96/1169592696.db2.gz DEVXEEBUWJXEJK-MRVPVSSYSA-N 1 3 185.271 -0.597 20 0 ABADHO Cc1cc(CNC(CN)C[NH3+])no1 379610937 1169593412 /nfs/dbraw/zinc/59/34/12/1169593412.db2.gz UCZHBLPBAZZGSN-UHFFFAOYSA-N 1 3 184.243 -0.641 20 0 ABADHO C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 379619995 1169594112 /nfs/dbraw/zinc/59/41/12/1169594112.db2.gz DEVXEEBUWJXEJK-QMMMGPOBSA-N 1 3 185.271 -0.597 20 0 ABADHO NC1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 380096730 1169595540 /nfs/dbraw/zinc/59/55/40/1169595540.db2.gz KNRIPCTZEUCMBA-QMMMGPOBSA-N 1 3 197.282 -0.407 20 0 ABADHO NC1(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 380096722 1169595557 /nfs/dbraw/zinc/59/55/57/1169595557.db2.gz KNRIPCTZEUCMBA-MRVPVSSYSA-N 1 3 197.282 -0.407 20 0 ABADHO Cc1nc(CNC(CN)C[NH3+])oc1C 381470281 1169596703 /nfs/dbraw/zinc/59/67/03/1169596703.db2.gz MJGCDVMXEXAQMR-UHFFFAOYSA-N 1 3 198.270 -0.333 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 381561109 1169598558 /nfs/dbraw/zinc/59/85/58/1169598558.db2.gz NPVLXJSBOQVREN-SFYZADRCSA-N 1 3 185.271 -0.469 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 381561110 1169598659 /nfs/dbraw/zinc/59/86/59/1169598659.db2.gz NPVLXJSBOQVREN-YUMQZZPRSA-N 1 3 185.271 -0.469 20 0 ABADHO CC[C@](C)(O)CN(C)C[C@@H](O)C[NH3+] 388317251 1169621609 /nfs/dbraw/zinc/62/16/09/1169621609.db2.gz VQIFRYXSFCRMDB-IUCAKERBSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@](C)(O)C[N@H+](C)C[C@@H](O)CN 388317251 1169621613 /nfs/dbraw/zinc/62/16/13/1169621613.db2.gz VQIFRYXSFCRMDB-IUCAKERBSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@](C)(O)C[N@@H+](C)C[C@@H](O)CN 388317251 1169621617 /nfs/dbraw/zinc/62/16/17/1169621617.db2.gz VQIFRYXSFCRMDB-IUCAKERBSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@@](C)(O)CN(C)C[C@@H](O)C[NH3+] 388317248 1169621892 /nfs/dbraw/zinc/62/18/92/1169621892.db2.gz VQIFRYXSFCRMDB-DTWKUNHWSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@@](C)(O)C[N@H+](C)C[C@@H](O)CN 388317248 1169621895 /nfs/dbraw/zinc/62/18/95/1169621895.db2.gz VQIFRYXSFCRMDB-DTWKUNHWSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@@](C)(O)C[N@@H+](C)C[C@@H](O)CN 388317248 1169621899 /nfs/dbraw/zinc/62/18/99/1169621899.db2.gz VQIFRYXSFCRMDB-DTWKUNHWSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@@](C)(O)CN(C)C[C@H](O)C[NH3+] 388317253 1169622348 /nfs/dbraw/zinc/62/23/48/1169622348.db2.gz VQIFRYXSFCRMDB-RKDXNWHRSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@@](C)(O)C[N@H+](C)C[C@H](O)CN 388317253 1169622352 /nfs/dbraw/zinc/62/23/52/1169622352.db2.gz VQIFRYXSFCRMDB-RKDXNWHRSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@@](C)(O)C[N@@H+](C)C[C@H](O)CN 388317253 1169622357 /nfs/dbraw/zinc/62/23/57/1169622357.db2.gz VQIFRYXSFCRMDB-RKDXNWHRSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@](C)(O)CN(C)C[C@H](O)C[NH3+] 388317247 1169623122 /nfs/dbraw/zinc/62/31/22/1169623122.db2.gz VQIFRYXSFCRMDB-BDAKNGLRSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@](C)(O)C[N@H+](C)C[C@H](O)CN 388317247 1169623124 /nfs/dbraw/zinc/62/31/24/1169623124.db2.gz VQIFRYXSFCRMDB-BDAKNGLRSA-N 1 3 190.287 -0.601 20 0 ABADHO CC[C@](C)(O)C[N@@H+](C)C[C@H](O)CN 388317247 1169623131 /nfs/dbraw/zinc/62/31/31/1169623131.db2.gz VQIFRYXSFCRMDB-BDAKNGLRSA-N 1 3 190.287 -0.601 20 0 ABADHO C[N@@H+](C[C@@H]1CCOC1)C[C@H](O)CN 388236434 1169623347 /nfs/dbraw/zinc/62/33/47/1169623347.db2.gz OSTRIGHQOJHVOU-DTWKUNHWSA-N 1 3 188.271 -0.726 20 0 ABADHO C[N@H+](C[C@@H]1CCOC1)C[C@H](O)CN 388236434 1169623353 /nfs/dbraw/zinc/62/33/53/1169623353.db2.gz OSTRIGHQOJHVOU-DTWKUNHWSA-N 1 3 188.271 -0.726 20 0 ABADHO C[N@H+](C[C@@H](O)CN)C[C@H]1CCOC1 388236432 1169623434 /nfs/dbraw/zinc/62/34/34/1169623434.db2.gz OSTRIGHQOJHVOU-BDAKNGLRSA-N 1 3 188.271 -0.726 20 0 ABADHO C[N@@H+](C[C@@H](O)CN)C[C@H]1CCOC1 388236432 1169623439 /nfs/dbraw/zinc/62/34/39/1169623439.db2.gz OSTRIGHQOJHVOU-BDAKNGLRSA-N 1 3 188.271 -0.726 20 0 ABADHO C[N@H+](C[C@@H](O)CN)C[C@@H]1CCOC1 388236435 1169623540 /nfs/dbraw/zinc/62/35/40/1169623540.db2.gz OSTRIGHQOJHVOU-IUCAKERBSA-N 1 3 188.271 -0.726 20 0 ABADHO C[N@@H+](C[C@@H](O)CN)C[C@@H]1CCOC1 388236435 1169623548 /nfs/dbraw/zinc/62/35/48/1169623548.db2.gz OSTRIGHQOJHVOU-IUCAKERBSA-N 1 3 188.271 -0.726 20 0 ABADHO C[N@H+](C[C@H](O)CN)C[C@H]1CCOC1 388236437 1169623613 /nfs/dbraw/zinc/62/36/13/1169623613.db2.gz OSTRIGHQOJHVOU-RKDXNWHRSA-N 1 3 188.271 -0.726 20 0 ABADHO C[N@@H+](C[C@H](O)CN)C[C@H]1CCOC1 388236437 1169623616 /nfs/dbraw/zinc/62/36/16/1169623616.db2.gz OSTRIGHQOJHVOU-RKDXNWHRSA-N 1 3 188.271 -0.726 20 0 ABADHO NCC(C[NH3+])NCc1nccs1 388322405 1169624323 /nfs/dbraw/zinc/62/43/23/1169624323.db2.gz XTPDCZRIMBZKKQ-UHFFFAOYSA-N 1 3 186.284 -0.481 20 0 ABADHO N[C@H](CC1CC1)C(=O)NCCCC[NH3+] 388672900 1169632102 /nfs/dbraw/zinc/63/21/02/1169632102.db2.gz DRZATMKOQUXMOR-SECBINFHSA-N 1 3 199.298 -0.031 20 0 ABADHO Cc1noc(C)c1CNC(CN)C[NH3+] 389587807 1169640258 /nfs/dbraw/zinc/64/02/58/1169640258.db2.gz KEKPILKWLWWCCZ-UHFFFAOYSA-N 1 3 198.270 -0.333 20 0 ABADHO C[C@H](O)[C@H](C)NC[C@H](O)C[NH+](C)C 395721669 1169652404 /nfs/dbraw/zinc/65/24/04/1169652404.db2.gz PLIIARWZOSIUQP-CIUDSAMLSA-N 1 3 190.287 -0.732 20 0 ABADHO C[C@H](O)[C@H](C)NC[C@@H](O)C[NH+](C)C 395721680 1169652571 /nfs/dbraw/zinc/65/25/71/1169652571.db2.gz PLIIARWZOSIUQP-XHNCKOQMSA-N 1 3 190.287 -0.732 20 0 ABADHO C[C@H](O)[C@@H](C)NC[C@H](O)C[NH+](C)C 395721678 1169653319 /nfs/dbraw/zinc/65/33/19/1169653319.db2.gz PLIIARWZOSIUQP-VGMNWLOBSA-N 1 3 190.287 -0.732 20 0 ABADHO C[C@H](O)[C@@H](C)NC[C@@H](O)C[NH+](C)C 395721671 1169653490 /nfs/dbraw/zinc/65/34/90/1169653490.db2.gz PLIIARWZOSIUQP-HRDYMLBCSA-N 1 3 190.287 -0.732 20 0 ABADHO C[C@@H](CCNCCC(N)=O)[NH+](C)C 700469971 1169700413 /nfs/dbraw/zinc/70/04/13/1169700413.db2.gz AKEYLQPMXZOUID-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO C[C@@H](CC[NH2+]CCC(N)=O)N(C)C 700469971 1169700418 /nfs/dbraw/zinc/70/04/18/1169700418.db2.gz AKEYLQPMXZOUID-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO C[C@H](CCNCCC(N)=O)[NH+](C)C 700469969 1169700560 /nfs/dbraw/zinc/70/05/60/1169700560.db2.gz AKEYLQPMXZOUID-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO C[C@H](CC[NH2+]CCC(N)=O)N(C)C 700469969 1169700564 /nfs/dbraw/zinc/70/05/64/1169700564.db2.gz AKEYLQPMXZOUID-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO CNCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 307711340 566298938 /nfs/dbraw/zinc/29/89/38/566298938.db2.gz SVQZWMUJBNKIPC-HTQZYQBOSA-N 1 3 185.271 -0.408 20 0 ABADHO CNCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 307711343 566298964 /nfs/dbraw/zinc/29/89/64/566298964.db2.gz SVQZWMUJBNKIPC-YUMQZZPRSA-N 1 3 185.271 -0.408 20 0 ABADHO CNCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 307711341 566299170 /nfs/dbraw/zinc/29/91/70/566299170.db2.gz SVQZWMUJBNKIPC-JGVFFNPUSA-N 1 3 185.271 -0.408 20 0 ABADHO CNCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 307711342 566299223 /nfs/dbraw/zinc/29/92/23/566299223.db2.gz SVQZWMUJBNKIPC-SFYZADRCSA-N 1 3 185.271 -0.408 20 0 ABADHO NCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 1261495306 1170114917 /nfs/dbraw/zinc/11/49/17/1170114917.db2.gz ADOMFKYEAQYJEQ-MRVPVSSYSA-N 1 3 197.282 -0.264 20 0 ABADHO NCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 1261495307 1170115143 /nfs/dbraw/zinc/11/51/43/1170115143.db2.gz ADOMFKYEAQYJEQ-QMMMGPOBSA-N 1 3 197.282 -0.264 20 0 ABADHO C[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 1262006712 1170122097 /nfs/dbraw/zinc/12/20/97/1170122097.db2.gz FNZIAJAPYZNZRJ-ACZMJKKPSA-N 1 3 171.244 -0.813 20 0 ABADHO NCC(=O)N[C@@H](CC[NH3+])C(F)(F)F 1262166637 1170125522 /nfs/dbraw/zinc/12/55/22/1170125522.db2.gz JXXQFGBYRDPPJT-BYPYZUCNSA-N 1 3 199.176 -0.659 20 0 ABADHO NCC(=O)N[C@H](CC[NH3+])C(F)(F)F 1262166638 1170125707 /nfs/dbraw/zinc/12/57/07/1170125707.db2.gz JXXQFGBYRDPPJT-SCSAIBSYSA-N 1 3 199.176 -0.659 20 0 ABADHO C[C@@H]1NC[C@H](C)N(C(=O)CC[NH3+])[C@@H]1C 1263202185 1170140229 /nfs/dbraw/zinc/14/02/29/1170140229.db2.gz UFQSLDFUXFAYFF-XHNCKOQMSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]1NC[C@@H](C)N(C(=O)CC[NH3+])[C@@H]1C 1263202183 1170140303 /nfs/dbraw/zinc/14/03/03/1170140303.db2.gz UFQSLDFUXFAYFF-HRDYMLBCSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]1NC[C@H](C)N(C(=O)CC[NH3+])[C@H]1C 1263202182 1170141406 /nfs/dbraw/zinc/14/14/06/1170141406.db2.gz UFQSLDFUXFAYFF-CIUDSAMLSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]1NC[C@@H](C)N(C(=O)CC[NH3+])[C@H]1C 1263202184 1170141594 /nfs/dbraw/zinc/14/15/94/1170141594.db2.gz UFQSLDFUXFAYFF-VGMNWLOBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 1263264347 1170142579 /nfs/dbraw/zinc/14/25/79/1170142579.db2.gz JHSFAVFKGHBILH-XLPZGREQSA-N 1 3 197.282 -0.280 20 0 ABADHO N[C@@H](CC1CC1)C(=O)N[C@H]1C[C@H]([NH3+])C1 1263320034 1170142845 /nfs/dbraw/zinc/14/28/45/1170142845.db2.gz KMYCIPFIBSYEMW-CIUDSAMLSA-N 1 3 197.282 -0.280 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 1263264346 1170143171 /nfs/dbraw/zinc/14/31/71/1170143171.db2.gz JHSFAVFKGHBILH-RNJXMRFFSA-N 1 3 197.282 -0.280 20 0 ABADHO C[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 1263264344 1170143329 /nfs/dbraw/zinc/14/33/29/1170143329.db2.gz JHSFAVFKGHBILH-BIIVOSGPSA-N 1 3 197.282 -0.280 20 0 ABADHO N[C@H](CC1CC1)C(=O)N[C@H]1C[C@H]([NH3+])C1 1263320035 1170143730 /nfs/dbraw/zinc/14/37/30/1170143730.db2.gz KMYCIPFIBSYEMW-IWSPIJDZSA-N 1 3 197.282 -0.280 20 0 ABADHO C[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 1263264345 1170143771 /nfs/dbraw/zinc/14/37/71/1170143771.db2.gz JHSFAVFKGHBILH-FXQIFTODSA-N 1 3 197.282 -0.280 20 0 ABADHO N[C@H](C(=O)NCC1C[NH2+]C1)C1CCC1 1326049908 1170234273 /nfs/dbraw/zinc/23/42/73/1170234273.db2.gz YACNNTLCXCPUFL-VIFPVBQESA-N 1 3 197.282 -0.551 20 0 ABADHO N[C@@H](C(=O)NCC1C[NH2+]C1)C1CCC1 1326049907 1170235099 /nfs/dbraw/zinc/23/50/99/1170235099.db2.gz YACNNTLCXCPUFL-SECBINFHSA-N 1 3 197.282 -0.551 20 0 ABADHO C[C@@H](CCC[NH3+])NC(=O)[C@H](C)N 1326305324 1170238364 /nfs/dbraw/zinc/23/83/64/1170238364.db2.gz FUDLLKVMHIFSRU-BQBZGAKWSA-N 1 3 173.260 -0.423 20 0 ABADHO CC(C)([NH3+])CNC[C@@H]1CNCCO1 1326236430 1170238778 /nfs/dbraw/zinc/23/87/78/1170238778.db2.gz ISTQQYQRXQHZGN-QMMMGPOBSA-N 1 3 187.287 -0.698 20 0 ABADHO CC(C)([NH3+])CNC[C@H]1CNCCO1 1326236428 1170238983 /nfs/dbraw/zinc/23/89/83/1170238983.db2.gz ISTQQYQRXQHZGN-MRVPVSSYSA-N 1 3 187.287 -0.698 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C)CCC[NH3+] 1326305325 1170240108 /nfs/dbraw/zinc/24/01/08/1170240108.db2.gz FUDLLKVMHIFSRU-RQJHMYQMSA-N 1 3 173.260 -0.423 20 0 ABADHO NCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 1327121706 1170246262 /nfs/dbraw/zinc/24/62/62/1170246262.db2.gz OVYSIDPNCPVYOB-RQJHMYQMSA-N 1 3 171.244 -0.811 20 0 ABADHO NCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 1327121704 1170246684 /nfs/dbraw/zinc/24/66/84/1170246684.db2.gz OVYSIDPNCPVYOB-NKWVEPMBSA-N 1 3 171.244 -0.811 20 0 ABADHO NCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 1327121703 1170247218 /nfs/dbraw/zinc/24/72/18/1170247218.db2.gz OVYSIDPNCPVYOB-BQBZGAKWSA-N 1 3 171.244 -0.811 20 0 ABADHO NCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 1327121705 1170247715 /nfs/dbraw/zinc/24/77/15/1170247715.db2.gz OVYSIDPNCPVYOB-RNFRBKRXSA-N 1 3 171.244 -0.811 20 0 ABADHO NC1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 1329522263 1170268575 /nfs/dbraw/zinc/26/85/75/1170268575.db2.gz UYQQOWYUXAUVNW-SFYZADRCSA-N 1 3 197.282 -0.279 20 0 ABADHO NC1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 1329522262 1170269332 /nfs/dbraw/zinc/26/93/32/1170269332.db2.gz UYQQOWYUXAUVNW-JGVFFNPUSA-N 1 3 197.282 -0.279 20 0 ABADHO NC1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 1329522264 1170270123 /nfs/dbraw/zinc/27/01/23/1170270123.db2.gz UYQQOWYUXAUVNW-YUMQZZPRSA-N 1 3 197.282 -0.279 20 0 ABADHO NC1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 1329522261 1170270232 /nfs/dbraw/zinc/27/02/32/1170270232.db2.gz UYQQOWYUXAUVNW-HTQZYQBOSA-N 1 3 197.282 -0.279 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 1329652255 1170271032 /nfs/dbraw/zinc/27/10/32/1170271032.db2.gz UYFHZRXDESYTPZ-BWZBUEFSSA-N 1 3 185.271 -0.423 20 0 ABADHO CC[C@H](N)c1cn(CC2C[NH2+]C2)nn1 1329692067 1170272415 /nfs/dbraw/zinc/27/24/15/1170272415.db2.gz DIXUAUARNLYTLI-QMMMGPOBSA-N 1 3 195.270 -0.093 20 0 ABADHO CC[C@@H](N)c1cn(CC2C[NH2+]C2)nn1 1329692066 1170272476 /nfs/dbraw/zinc/27/24/76/1170272476.db2.gz DIXUAUARNLYTLI-MRVPVSSYSA-N 1 3 195.270 -0.093 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 1329652256 1170272816 /nfs/dbraw/zinc/27/28/16/1170272816.db2.gz UYFHZRXDESYTPZ-FXQIFTODSA-N 1 3 185.271 -0.423 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 1330036295 1170273666 /nfs/dbraw/zinc/27/36/66/1170273666.db2.gz UYFHZRXDESYTPZ-RNJXMRFFSA-N 1 3 185.271 -0.423 20 0 ABADHO CC[C@@H](N)C(=O)NCCC(C)(C)[NH3+] 1331391827 1170290366 /nfs/dbraw/zinc/29/03/66/1170290366.db2.gz HOPHJKUDUDFLII-SSDOTTSWSA-N 1 3 187.287 -0.033 20 0 ABADHO C[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 1331727411 1170294647 /nfs/dbraw/zinc/29/46/47/1170294647.db2.gz FNZIAJAPYZNZRJ-LYFYHCNISA-N 1 3 171.244 -0.813 20 0 ABADHO NCC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)[NH2+]2 1331729633 1170295202 /nfs/dbraw/zinc/29/52/02/1170295202.db2.gz YCPWUQKHQHKWSD-AYMMMOKOSA-N 1 3 197.282 -0.408 20 0 ABADHO C[NH+](C)[C@H]1CCCN(C(=O)CN)CC1 1332047674 1170297566 /nfs/dbraw/zinc/29/75/66/1170297566.db2.gz KFFSOGKRUCVBCK-VIFPVBQESA-N 1 3 199.298 -0.112 20 0 ABADHO C[C@H](N)C(=O)NCCC(C)(C)[NH3+] 1332051234 1170298788 /nfs/dbraw/zinc/29/87/88/1170298788.db2.gz YLCWNWBCUAFSCZ-LURJTMIESA-N 1 3 173.260 -0.423 20 0 ABADHO C[NH+](C)[C@@H]1CCCN(C(=O)CN)CC1 1332047669 1170299857 /nfs/dbraw/zinc/29/98/57/1170299857.db2.gz KFFSOGKRUCVBCK-SECBINFHSA-N 1 3 199.298 -0.112 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 1332229312 1170300749 /nfs/dbraw/zinc/30/07/49/1170300749.db2.gz UYFHZRXDESYTPZ-GJMOJQLCSA-N 1 3 185.271 -0.423 20 0 ABADHO Cc1nccnc1CNC(CN)C[NH3+] 1332363232 1170304013 /nfs/dbraw/zinc/30/40/13/1170304013.db2.gz DAXGWWMBJWNOET-UHFFFAOYSA-N 1 3 195.270 -0.839 20 0 ABADHO C[C@@H](CCC[NH3+])NC(=O)C1(N)CC1 1332449524 1170306285 /nfs/dbraw/zinc/30/62/85/1170306285.db2.gz GWLQAHVFUPMHKV-ZETCQYMHSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@H](CCC[NH3+])NC(=O)C1(N)CC1 1332449523 1170306816 /nfs/dbraw/zinc/30/68/16/1170306816.db2.gz GWLQAHVFUPMHKV-SSDOTTSWSA-N 1 3 185.271 -0.279 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 1332993506 1170317540 /nfs/dbraw/zinc/31/75/40/1170317540.db2.gz MKRIRNIGGZGGKW-BWZBUEFSSA-N 1 3 185.271 -0.280 20 0 ABADHO N[C@@H](CC1CC1)C(=O)NCC1C[NH2+]C1 1333178466 1170319086 /nfs/dbraw/zinc/31/90/86/1170319086.db2.gz NNOMKKCRVRMTJL-VIFPVBQESA-N 1 3 197.282 -0.551 20 0 ABADHO N[C@H](CC1CC1)C(=O)NCC1C[NH2+]C1 1333178465 1170321097 /nfs/dbraw/zinc/32/10/97/1170321097.db2.gz NNOMKKCRVRMTJL-SECBINFHSA-N 1 3 197.282 -0.551 20 0 ABADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH3+] 1333335757 1170322921 /nfs/dbraw/zinc/32/29/21/1170322921.db2.gz JKRQRBRITXZSLP-ZCFIWIBFSA-N 1 3 196.254 -0.276 20 0 ABADHO Cc1[nH]cnc1CC(=O)NCC[NH3+] 1333306565 1170323488 /nfs/dbraw/zinc/32/34/88/1170323488.db2.gz DVPBZIZOMVXEKJ-UHFFFAOYSA-N 1 3 182.227 -0.664 20 0 ABADHO C[NH2+]CCNC(=O)Cc1nc[nH]c1C 1333320164 1170323708 /nfs/dbraw/zinc/32/37/08/1170323708.db2.gz NXKHUXCUHVGTNG-UHFFFAOYSA-N 1 3 196.254 -0.404 20 0 ABADHO C[C@H](NC(CN)C[NH3+])c1cnccn1 1333530458 1170326229 /nfs/dbraw/zinc/32/62/29/1170326229.db2.gz XJALKPMNRUKQLQ-ZETCQYMHSA-N 1 3 195.270 -0.587 20 0 ABADHO NCC(C[NH3+])NCCOCC1CC1 1333529142 1170327044 /nfs/dbraw/zinc/32/70/44/1170327044.db2.gz LTSYSDXJFRAKMZ-UHFFFAOYSA-N 1 3 187.287 -0.711 20 0 ABADHO C[C@@H](NC(CN)C[NH3+])c1cnccn1 1333530457 1170327110 /nfs/dbraw/zinc/32/71/10/1170327110.db2.gz XJALKPMNRUKQLQ-SSDOTTSWSA-N 1 3 195.270 -0.587 20 0 ABADHO CCc1ncc(CNC(CN)C[NH3+])o1 1334339056 1170339997 /nfs/dbraw/zinc/33/99/97/1170339997.db2.gz URBRFGFFQKUJPH-UHFFFAOYSA-N 1 3 198.270 -0.387 20 0 ABADHO CCc1nocc1CNC(CN)C[NH3+] 1334338469 1170341143 /nfs/dbraw/zinc/34/11/43/1170341143.db2.gz OMRAEGWGAIATBU-UHFFFAOYSA-N 1 3 198.270 -0.387 20 0 ABADHO C[C@@H](O)CNC[C@H]([NH3+])CC(F)F 1334827921 1170347454 /nfs/dbraw/zinc/34/74/54/1170347454.db2.gz MUGYFSKBVICKMW-PHDIDXHHSA-N 1 3 182.214 -0.061 20 0 ABADHO C[C@@H](O)CNC[C@@H]([NH3+])CC(F)F 1334827927 1170347676 /nfs/dbraw/zinc/34/76/76/1170347676.db2.gz MUGYFSKBVICKMW-RITPCOANSA-N 1 3 182.214 -0.061 20 0 ABADHO Cc1cnc([C@@H](C)NC(CN)C[NH3+])o1 1335189518 1170350979 /nfs/dbraw/zinc/35/09/79/1170350979.db2.gz BDRAOUNFRJYGJJ-SSDOTTSWSA-N 1 3 198.270 -0.080 20 0 ABADHO Cc1cnc([C@H](C)NC(CN)C[NH3+])o1 1335189519 1170352013 /nfs/dbraw/zinc/35/20/13/1170352013.db2.gz BDRAOUNFRJYGJJ-ZETCQYMHSA-N 1 3 198.270 -0.080 20 0 ABADHO Cc1cnc(CNC(CN)C[NH3+])nc1 1336277314 1170368275 /nfs/dbraw/zinc/36/82/75/1170368275.db2.gz PBUSYSDLZPKBOR-UHFFFAOYSA-N 1 3 195.270 -0.839 20 0 ABADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH3+] 1336721233 1170379657 /nfs/dbraw/zinc/37/96/57/1170379657.db2.gz KZJGUNYRLGWTJW-ZCFIWIBFSA-N 1 3 196.254 -0.276 20 0 ABADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH3+] 1336721232 1170379964 /nfs/dbraw/zinc/37/99/64/1170379964.db2.gz KZJGUNYRLGWTJW-LURJTMIESA-N 1 3 196.254 -0.276 20 0 ABADHO C[C@@H](N)C(=O)NCCC(C)(C)[NH3+] 1337045320 1170385706 /nfs/dbraw/zinc/38/57/06/1170385706.db2.gz YLCWNWBCUAFSCZ-ZCFIWIBFSA-N 1 3 173.260 -0.423 20 0 ABADHO C[C@H](NC(CN)C[NH3+])c1ncccn1 1339914636 1170422454 /nfs/dbraw/zinc/42/24/54/1170422454.db2.gz NQHGSIRUHHXDCM-ZETCQYMHSA-N 1 3 195.270 -0.587 20 0 ABADHO C[C@@H](NC(CN)C[NH3+])c1ncccn1 1339914635 1170424116 /nfs/dbraw/zinc/42/41/16/1170424116.db2.gz NQHGSIRUHHXDCM-SSDOTTSWSA-N 1 3 195.270 -0.587 20 0 ABADHO NC1(C(=O)NCCC[NH2+]C2CC2)CC1 1340403516 1170428704 /nfs/dbraw/zinc/42/87/04/1170428704.db2.gz AJMQNGLSGRMZHP-UHFFFAOYSA-N 1 3 197.282 -0.264 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@H](CC[NH3+])C1 1341125363 1170431723 /nfs/dbraw/zinc/43/17/23/1170431723.db2.gz XHGOPGJPDSFBEA-IUCAKERBSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@H]([NH3+])C(=O)N1[C@@H](C)CN[C@@H](C)[C@@H]1C 1341142173 1170431810 /nfs/dbraw/zinc/43/18/10/1170431810.db2.gz WGLHNHJSEFAGBQ-JBDRJPRFSA-N 1 3 199.298 -0.069 20 0 ABADHO C[C@H]([NH3+])C(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C 1341142174 1170432653 /nfs/dbraw/zinc/43/26/53/1170432653.db2.gz WGLHNHJSEFAGBQ-RYPBNFRJSA-N 1 3 199.298 -0.069 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H](CC[NH3+])C1 1341121939 1170432790 /nfs/dbraw/zinc/43/27/90/1170432790.db2.gz HPOIKDWRUKAFPV-SFYZADRCSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 1341155003 1170432801 /nfs/dbraw/zinc/43/28/01/1170432801.db2.gz CELXQOOKGMQYIH-HRDYMLBCSA-N 1 3 197.282 -0.599 20 0 ABADHO C[C@H]([NH3+])C(=O)N1[C@@H](C)[C@H](C)NC[C@H]1C 1341142175 1170433105 /nfs/dbraw/zinc/43/31/05/1170433105.db2.gz WGLHNHJSEFAGBQ-XGEHTFHBSA-N 1 3 199.298 -0.069 20 0 ABADHO C[C@H]([NH3+])C(=O)N1[C@@H](C)CN[C@@H](C)[C@H]1C 1341142176 1170433209 /nfs/dbraw/zinc/43/32/09/1170433209.db2.gz WGLHNHJSEFAGBQ-XSPKLOCKSA-N 1 3 199.298 -0.069 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@@H](CC[NH3+])C1 1341125362 1170433760 /nfs/dbraw/zinc/43/37/60/1170433760.db2.gz XHGOPGJPDSFBEA-BDAKNGLRSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H](CC[NH3+])C1 1341121938 1170433786 /nfs/dbraw/zinc/43/37/86/1170433786.db2.gz HPOIKDWRUKAFPV-HTQZYQBOSA-N 1 3 185.271 -0.469 20 0 ABADHO NC1(C(=O)NCC2([NH3+])CC2)CC1 1341415451 1170434470 /nfs/dbraw/zinc/43/44/70/1170434470.db2.gz LOVNQSNZYGZKMZ-UHFFFAOYSA-N 1 3 169.228 -0.915 20 0 ABADHO C[C@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 1341437115 1170437056 /nfs/dbraw/zinc/43/70/56/1170437056.db2.gz GNXHFQPPNSATTJ-DTWKUNHWSA-N 1 3 199.298 -0.018 20 0 ABADHO N[C@H](CC1CC1)C(=O)NCC1([NH3+])CC1 1342059649 1170443114 /nfs/dbraw/zinc/44/31/14/1170443114.db2.gz USKURJPYRYXZCS-MRVPVSSYSA-N 1 3 197.282 -0.279 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 1341437116 1170438643 /nfs/dbraw/zinc/43/86/43/1170438643.db2.gz GNXHFQPPNSATTJ-IUCAKERBSA-N 1 3 199.298 -0.018 20 0 ABADHO NCC(=O)N1CC[C@@H](CC[NH3+])C1 1341869972 1170439478 /nfs/dbraw/zinc/43/94/78/1170439478.db2.gz AHMUOONXRNDCKN-SSDOTTSWSA-N 1 3 171.244 -0.858 20 0 ABADHO NCC(=O)N1CC[C@H](CC[NH3+])C1 1341869973 1170441577 /nfs/dbraw/zinc/44/15/77/1170441577.db2.gz AHMUOONXRNDCKN-ZETCQYMHSA-N 1 3 171.244 -0.858 20 0 ABADHO C[C@H](N)C(=O)NC1CC2(CC([NH3+])C2)C1 1341988963 1170442041 /nfs/dbraw/zinc/44/20/41/1170442041.db2.gz NIPOISSIZLVQFL-YTHPAYJZSA-N 1 3 197.282 -0.280 20 0 ABADHO NC1(C(=O)N[C@H]2C[C@H]([NH3+])C2)CC1 1342065115 1170442338 /nfs/dbraw/zinc/44/23/38/1170442338.db2.gz LANLIFBHZBOLCZ-IZLXSQMJSA-N 1 3 169.228 -0.916 20 0 ABADHO N[C@@H](CC1CC1)C(=O)NCC1([NH3+])CC1 1342059651 1170442833 /nfs/dbraw/zinc/44/28/33/1170442833.db2.gz USKURJPYRYXZCS-QMMMGPOBSA-N 1 3 197.282 -0.279 20 0 ABADHO NCC(=O)N1CCC2(CC1)C[NH2+]C2 1342070107 1170443192 /nfs/dbraw/zinc/44/31/92/1170443192.db2.gz ORSHIOUPWHHZOP-UHFFFAOYSA-N 1 3 183.255 -0.843 20 0 ABADHO NCC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 1341905577 1170443668 /nfs/dbraw/zinc/44/36/68/1170443668.db2.gz ASKVRXJDYRZRDH-JGVFFNPUSA-N 1 3 183.255 -0.987 20 0 ABADHO CC(C)N(C)CC(=O)NCC1([NH3+])CC1 1342063590 1170443912 /nfs/dbraw/zinc/44/39/12/1170443912.db2.gz VBWKABDWEFHMJX-UHFFFAOYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 1342204027 1170444571 /nfs/dbraw/zinc/44/45/71/1170444571.db2.gz GNXHFQPPNSATTJ-BDAKNGLRSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 1342204036 1170445475 /nfs/dbraw/zinc/44/54/75/1170445475.db2.gz GNXHFQPPNSATTJ-RKDXNWHRSA-N 1 3 199.298 -0.018 20 0 ABADHO CN(CC1CC[NH2+]CC1)C(=O)CN 1342790068 1170449190 /nfs/dbraw/zinc/44/91/90/1170449190.db2.gz DPCOUOGFSXBSMJ-UHFFFAOYSA-N 1 3 185.271 -0.597 20 0 ABADHO CCN(C(=O)[C@H](C)N)[C@@H]1CCC[NH2+]C1 1342935010 1170451293 /nfs/dbraw/zinc/45/12/93/1170451293.db2.gz UPZBKQIJRVFZOE-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO CC(C)C[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1 1342844570 1170451382 /nfs/dbraw/zinc/45/13/82/1170451382.db2.gz WFIPVZRXKGRUQA-CIUDSAMLSA-N 1 3 199.298 -0.034 20 0 ABADHO CC[C@@H](N)C(=O)NCC1([NH3+])CC1 1342931991 1170452118 /nfs/dbraw/zinc/45/21/18/1170452118.db2.gz LSENQXQSAOXIFJ-ZCFIWIBFSA-N 1 3 171.244 -0.669 20 0 ABADHO CCN(C(=O)[C@H](C)N)[C@H]1CCC[NH2+]C1 1342935011 1170452316 /nfs/dbraw/zinc/45/23/16/1170452316.db2.gz UPZBKQIJRVFZOE-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1 1342842022 1170452948 /nfs/dbraw/zinc/45/29/48/1170452948.db2.gz JHEIOKHLLVSXNV-BWZBUEFSSA-N 1 3 199.298 -0.034 20 0 ABADHO CC(C)C[C@H](N)C(=O)NCC1([NH3+])CC1 1342816268 1170453220 /nfs/dbraw/zinc/45/32/20/1170453220.db2.gz YHJHTJSLBOKEIB-QMMMGPOBSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 1343200710 1170453750 /nfs/dbraw/zinc/45/37/50/1170453750.db2.gz JHSFAVFKGHBILH-PRJMDXOYSA-N 1 3 197.282 -0.280 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 1343200607 1170454903 /nfs/dbraw/zinc/45/49/03/1170454903.db2.gz JHSFAVFKGHBILH-BWZBUEFSSA-N 1 3 197.282 -0.280 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 1343200709 1170455527 /nfs/dbraw/zinc/45/55/27/1170455527.db2.gz JHSFAVFKGHBILH-GJMOJQLCSA-N 1 3 197.282 -0.280 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 1343200608 1170455831 /nfs/dbraw/zinc/45/58/31/1170455831.db2.gz JHSFAVFKGHBILH-CSMHCCOUSA-N 1 3 197.282 -0.280 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@H](CC[NH3+])C1 1345001025 1170466533 /nfs/dbraw/zinc/46/65/33/1170466533.db2.gz XHGOPGJPDSFBEA-DTWKUNHWSA-N 1 3 199.298 -0.079 20 0 ABADHO CC[C@@H](N)C(=O)N1CC[C@@H](CC[NH3+])C1 1345001026 1170468143 /nfs/dbraw/zinc/46/81/43/1170468143.db2.gz XHGOPGJPDSFBEA-RKDXNWHRSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@H](N)C(=O)N(C)CC1CC[NH2+]CC1 1346348114 1170480592 /nfs/dbraw/zinc/48/05/92/1170480592.db2.gz XTLPXYXAVUMJMQ-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO NC1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 1349620739 1170512295 /nfs/dbraw/zinc/51/22/95/1170512295.db2.gz LONWUXZNJSVBKM-LJGSYFOKSA-N 1 3 183.255 -0.669 20 0 ABADHO CC(C)([NH3+])CCNC(=O)CN 1349874542 1170514933 /nfs/dbraw/zinc/51/49/33/1170514933.db2.gz QOGLYDQETXRQST-UHFFFAOYSA-N 1 3 159.233 -0.811 20 0 ABADHO CCN(C(=O)CN)[C@@H]1CC[NH2+]C1 1349907738 1170515300 /nfs/dbraw/zinc/51/53/00/1170515300.db2.gz GMZOBQNNWYGFNG-SSDOTTSWSA-N 1 3 171.244 -0.845 20 0 ABADHO CCN(C(=O)CN)[C@H]1CC[NH2+]C1 1349907745 1170516161 /nfs/dbraw/zinc/51/61/61/1170516161.db2.gz GMZOBQNNWYGFNG-ZETCQYMHSA-N 1 3 171.244 -0.845 20 0 ABADHO CC(C)([NH3+])CCNC(=O)C1(N)CC1 1349874733 1170516643 /nfs/dbraw/zinc/51/66/43/1170516643.db2.gz SAQZCASQFJLWCW-UHFFFAOYSA-N 1 3 185.271 -0.279 20 0 ABADHO NCC(C[NH3+])NC/C=C\Cl 1350909665 1170522784 /nfs/dbraw/zinc/52/27/84/1170522784.db2.gz KYXOHMMFKSXMNS-UPHRSURJSA-N 1 3 163.652 -0.386 20 0 ABADHO NCC(C[NH3+])NC/C=C/Cl 1350909656 1170523736 /nfs/dbraw/zinc/52/37/36/1170523736.db2.gz KYXOHMMFKSXMNS-OWOJBTEDSA-N 1 3 163.652 -0.386 20 0 ABADHO CC[C@H](N)C(=O)NCCC(C)(C)[NH3+] 1353125681 1170534016 /nfs/dbraw/zinc/53/40/16/1170534016.db2.gz HOPHJKUDUDFLII-ZETCQYMHSA-N 1 3 187.287 -0.033 20 0 ABADHO CC[C@H](N)C(=O)N(CC)[C@H]1CC[NH2+]C1 1353162431 1170534401 /nfs/dbraw/zinc/53/44/01/1170534401.db2.gz METFQMQJLMLQGN-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[C@H](N)C(=O)N(CC)[C@@H]1CC[NH2+]C1 1353162430 1170535859 /nfs/dbraw/zinc/53/58/59/1170535859.db2.gz METFQMQJLMLQGN-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO NCC(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 1355686818 1170554728 /nfs/dbraw/zinc/55/47/28/1170554728.db2.gz SFSUQYWVVXGPLX-NKWVEPMBSA-N 1 3 183.255 -0.669 20 0 ABADHO NCC(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 1355686821 1170554894 /nfs/dbraw/zinc/55/48/94/1170554894.db2.gz SFSUQYWVVXGPLX-RNFRBKRXSA-N 1 3 183.255 -0.669 20 0 ABADHO NCC(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 1355686822 1170555318 /nfs/dbraw/zinc/55/53/18/1170555318.db2.gz SFSUQYWVVXGPLX-RQJHMYQMSA-N 1 3 183.255 -0.669 20 0 ABADHO NCC(=O)NC[C@H]1CCCCC[NH2+]1 1355520549 1170556384 /nfs/dbraw/zinc/55/63/84/1170556384.db2.gz OIPBXSCRKOOOAF-MRVPVSSYSA-N 1 3 185.271 -0.407 20 0 ABADHO NCC(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 1355686815 1170556633 /nfs/dbraw/zinc/55/66/33/1170556633.db2.gz SFSUQYWVVXGPLX-BQBZGAKWSA-N 1 3 183.255 -0.669 20 0 ABADHO NCC(=O)NC[C@@H]1CCCCC[NH2+]1 1355520551 1170556671 /nfs/dbraw/zinc/55/66/71/1170556671.db2.gz OIPBXSCRKOOOAF-QMMMGPOBSA-N 1 3 185.271 -0.407 20 0 ABADHO CC(C)C[C@@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1 1356434299 1170557236 /nfs/dbraw/zinc/55/72/36/1170557236.db2.gz WFIPVZRXKGRUQA-IWSPIJDZSA-N 1 3 199.298 -0.034 20 0 ABADHO C[C@H]([NH3+])C(=O)N1[C@H](C)CN[C@H](C)[C@H]1C 1358178354 1170563440 /nfs/dbraw/zinc/56/34/40/1170563440.db2.gz WGLHNHJSEFAGBQ-BZNPZCIMSA-N 1 3 199.298 -0.069 20 0 ABADHO C[NH2+]CC(=O)N1[C@H](C)CN[C@H](C)[C@H]1C 1358175399 1170563606 /nfs/dbraw/zinc/56/36/06/1170563606.db2.gz BXVATJXZIPEREH-IWSPIJDZSA-N 1 3 199.298 -0.197 20 0 ABADHO CC(C)C[C@@H](N)C(=O)NCC1([NH3+])CC1 1358377417 1170563720 /nfs/dbraw/zinc/56/37/20/1170563720.db2.gz YHJHTJSLBOKEIB-MRVPVSSYSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@H]([NH3+])C(=O)N1[C@@H](C)[C@@H](C)NC[C@H]1C 1358178355 1170563993 /nfs/dbraw/zinc/56/39/93/1170563993.db2.gz WGLHNHJSEFAGBQ-XAVMHZPKSA-N 1 3 199.298 -0.069 20 0 ABADHO C[NH2+]CC(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C 1358175398 1170564354 /nfs/dbraw/zinc/56/43/54/1170564354.db2.gz BXVATJXZIPEREH-HRDYMLBCSA-N 1 3 199.298 -0.197 20 0 ABADHO C[NH2+]CC(=O)N1[C@@H](C)[C@H](C)NC[C@H]1C 1358175400 1170564500 /nfs/dbraw/zinc/56/45/00/1170564500.db2.gz BXVATJXZIPEREH-VGMNWLOBSA-N 1 3 199.298 -0.197 20 0 ABADHO C[NH2+]CC(=O)N1[C@@H](C)[C@@H](C)NC[C@H]1C 1358175397 1170564771 /nfs/dbraw/zinc/56/47/71/1170564771.db2.gz BXVATJXZIPEREH-HLTSFMKQSA-N 1 3 199.298 -0.197 20 0 ABADHO C[C@@H]1NC[C@@H](C)N(C(=O)[C@@H](C)[NH3+])[C@H]1C 1522828423 1170628800 /nfs/dbraw/zinc/62/88/00/1170628800.db2.gz WGLHNHJSEFAGBQ-HXFLIBJXSA-N 1 3 199.298 -0.069 20 0 ABADHO C[C@@H]1NC[C@H](C)N(C(=O)[C@@H](C)[NH3+])[C@H]1C 1522828424 1170629171 /nfs/dbraw/zinc/62/91/71/1170629171.db2.gz WGLHNHJSEFAGBQ-KZVJFYERSA-N 1 3 199.298 -0.069 20 0 ABADHO C[C@@H]1NC[C@@H](C)N(C(=O)[C@@H](C)[NH3+])[C@@H]1C 1522828425 1170629714 /nfs/dbraw/zinc/62/97/14/1170629714.db2.gz WGLHNHJSEFAGBQ-LURQLKTLSA-N 1 3 199.298 -0.069 20 0 ABADHO C[C@@H]1NC[C@H](C)N(C(=O)[C@@H](C)[NH3+])[C@@H]1C 1522828426 1170630560 /nfs/dbraw/zinc/63/05/60/1170630560.db2.gz WGLHNHJSEFAGBQ-UYXSQOIJSA-N 1 3 199.298 -0.069 20 0 ABADHO CCCN(C)CC(=O)NCC1([NH3+])CC1 1523360170 1170630579 /nfs/dbraw/zinc/63/05/79/1170630579.db2.gz NBPQBMQJUHMDOU-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CCN(C(=O)CN)[C@H]1CCC[NH2+]C1 1524266757 1170630946 /nfs/dbraw/zinc/63/09/46/1170630946.db2.gz MNNMXRNCNWQCKN-QMMMGPOBSA-N 1 3 185.271 -0.454 20 0 ABADHO CCN(C(=O)CN)[C@@H]1CCC[NH2+]C1 1524266751 1170631335 /nfs/dbraw/zinc/63/13/35/1170631335.db2.gz MNNMXRNCNWQCKN-MRVPVSSYSA-N 1 3 185.271 -0.454 20 0 ABADHO CC[C@H](C(=O)NC1C[NH2+]C1)N(C)C 1573814499 1170676441 /nfs/dbraw/zinc/67/64/41/1170676441.db2.gz HIRVELHBNZGTNK-MRVPVSSYSA-N 1 3 185.271 -0.585 20 0 ABADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)N)C1 1573769830 1170676602 /nfs/dbraw/zinc/67/66/02/1170676602.db2.gz IBQNGKARITWRHI-IUCAKERBSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)N)C1 1573769830 1170676606 /nfs/dbraw/zinc/67/66/06/1170676606.db2.gz IBQNGKARITWRHI-IUCAKERBSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[C@@H]1CN(C(=O)C[NH2+]C)C[C@H](C)N1 1573815149 1170677054 /nfs/dbraw/zinc/67/70/54/1170677054.db2.gz VMASTNNRDGHFRN-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO C[N@H+](CCCCNC(=O)CN)C1CC1 1573870681 1170677534 /nfs/dbraw/zinc/67/75/34/1170677534.db2.gz OZTDCXOJQUPIMZ-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO C[N@@H+](CCCCNC(=O)CN)C1CC1 1573870681 1170677538 /nfs/dbraw/zinc/67/75/38/1170677538.db2.gz OZTDCXOJQUPIMZ-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N)C1 1573769829 1170677571 /nfs/dbraw/zinc/67/75/71/1170677571.db2.gz IBQNGKARITWRHI-DTWKUNHWSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N)C1 1573769829 1170677575 /nfs/dbraw/zinc/67/75/75/1170677575.db2.gz IBQNGKARITWRHI-DTWKUNHWSA-N 1 3 199.298 -0.114 20 0 ABADHO C1C[C@@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)N1 1574775036 1170682245 /nfs/dbraw/zinc/68/22/45/1170682245.db2.gz VHZMNXAHVUWUPP-KATARQTJSA-N 1 3 182.267 -0.027 20 0 ABADHO C1C[C@@H](C[NH2+][C@@H]2C[C@@H]3COC[C@@H]32)N1 1574775037 1170682449 /nfs/dbraw/zinc/68/24/49/1170682449.db2.gz VHZMNXAHVUWUPP-XFWSIPNHSA-N 1 3 182.267 -0.027 20 0 ABADHO C1C[C@H](C[NH2+][C@@H]2C[C@@H]3COC[C@@H]32)N1 1574775034 1170683659 /nfs/dbraw/zinc/68/36/59/1170683659.db2.gz VHZMNXAHVUWUPP-DOLQZWNJSA-N 1 3 182.267 -0.027 20 0 ABADHO C1C[C@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)N1 1574775035 1170683678 /nfs/dbraw/zinc/68/36/78/1170683678.db2.gz VHZMNXAHVUWUPP-IMSYWVGJSA-N 1 3 182.267 -0.027 20 0 ABADHO C1OC[C@H]2[C@@H]1C[C@H]2N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1574816343 1170684422 /nfs/dbraw/zinc/68/44/22/1170684422.db2.gz DFLFSPOHIPZVGV-ZBJKAAEASA-N 1 3 194.278 -0.171 20 0 ABADHO C1OC[C@H]2[C@@H]1C[C@@H]2N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1574816342 1170685414 /nfs/dbraw/zinc/68/54/14/1170685414.db2.gz DFLFSPOHIPZVGV-VCACHIOZSA-N 1 3 194.278 -0.171 20 0 ABADHO C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1C[NH2+]C1 1574817300 1170686532 /nfs/dbraw/zinc/68/65/32/1170686532.db2.gz XSPRWWVVGNMAEW-XXFSISAASA-N 1 3 194.278 -0.029 20 0 ABADHO CC(C)(C[NH3+])N[C@H]1CCCNC(=O)C1 1575317898 1170687385 /nfs/dbraw/zinc/68/73/85/1170687385.db2.gz LFIPXZXNWGBNEP-QMMMGPOBSA-N 1 3 199.298 -0.018 20 0 ABADHO CC(C)(C[NH3+])N[C@@H]1CCCNC(=O)C1 1575317897 1170687904 /nfs/dbraw/zinc/68/79/04/1170687904.db2.gz LFIPXZXNWGBNEP-MRVPVSSYSA-N 1 3 199.298 -0.018 20 0 ABADHO CC(C)(CN)[NH2+]C1COCCOC1 1575317457 1170688267 /nfs/dbraw/zinc/68/82/67/1170688267.db2.gz BVVFXHGIBUBGTH-UHFFFAOYSA-N 1 3 188.271 -0.271 20 0 ABADHO C[C@@H](Cn1cncn1)N[C@H]1C[C@H]([NH3+])C1 1576069467 1170692854 /nfs/dbraw/zinc/69/28/54/1170692854.db2.gz CUZSKHDYUIIYCZ-CIUDSAMLSA-N 1 3 195.270 -0.254 20 0 ABADHO C[C@H](N)C[N@@H+]1CC[C@@]2(CCOC2=O)C1 1576155815 1170692961 /nfs/dbraw/zinc/69/29/61/1170692961.db2.gz CWSNAWXEHFKUMK-WCBMZHEXSA-N 1 3 198.266 -0.027 20 0 ABADHO C[C@H](N)C[N@H+]1CC[C@@]2(CCOC2=O)C1 1576155815 1170692964 /nfs/dbraw/zinc/69/29/64/1170692964.db2.gz CWSNAWXEHFKUMK-WCBMZHEXSA-N 1 3 198.266 -0.027 20 0 ABADHO C[C@@H](Cn1cncn1)N[C@H]1C[C@@H]([NH3+])C1 1576069470 1170693212 /nfs/dbraw/zinc/69/32/12/1170693212.db2.gz CUZSKHDYUIIYCZ-XHNCKOQMSA-N 1 3 195.270 -0.254 20 0 ABADHO C[C@H](N)C[N@@H+]1CC[C@]2(CCOC2=O)C1 1576155817 1170693624 /nfs/dbraw/zinc/69/36/24/1170693624.db2.gz CWSNAWXEHFKUMK-WPRPVWTQSA-N 1 3 198.266 -0.027 20 0 ABADHO C[C@H](N)C[N@H+]1CC[C@]2(CCOC2=O)C1 1576155817 1170693627 /nfs/dbraw/zinc/69/36/27/1170693627.db2.gz CWSNAWXEHFKUMK-WPRPVWTQSA-N 1 3 198.266 -0.027 20 0 ABADHO C[C@@H](N)C[N@@H+]1CC[C@]2(CCOC2=O)C1 1576155813 1170693774 /nfs/dbraw/zinc/69/37/74/1170693774.db2.gz CWSNAWXEHFKUMK-SCZZXKLOSA-N 1 3 198.266 -0.027 20 0 ABADHO C[C@@H](N)C[N@H+]1CC[C@]2(CCOC2=O)C1 1576155813 1170693775 /nfs/dbraw/zinc/69/37/75/1170693775.db2.gz CWSNAWXEHFKUMK-SCZZXKLOSA-N 1 3 198.266 -0.027 20 0 ABADHO C[C@H](N)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 1576086429 1170693858 /nfs/dbraw/zinc/69/38/58/1170693858.db2.gz RZFPVAGRJVJLAQ-YIZRAAEISA-N 1 3 197.282 -0.504 20 0 ABADHO C[C@H](N)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 1576086429 1170693861 /nfs/dbraw/zinc/69/38/61/1170693861.db2.gz RZFPVAGRJVJLAQ-YIZRAAEISA-N 1 3 197.282 -0.504 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 1576086428 1170694337 /nfs/dbraw/zinc/69/43/37/1170694337.db2.gz RZFPVAGRJVJLAQ-HLTSFMKQSA-N 1 3 197.282 -0.504 20 0 ABADHO C[C@@H](N)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 1576086428 1170694343 /nfs/dbraw/zinc/69/43/43/1170694343.db2.gz RZFPVAGRJVJLAQ-HLTSFMKQSA-N 1 3 197.282 -0.504 20 0 ABADHO C[C@@H](N)C[N@@H+]1CC[C@@]2(CCOC2=O)C1 1576155811 1170694445 /nfs/dbraw/zinc/69/44/45/1170694445.db2.gz CWSNAWXEHFKUMK-PSASIEDQSA-N 1 3 198.266 -0.027 20 0 ABADHO C[C@@H](N)C[N@H+]1CC[C@@]2(CCOC2=O)C1 1576155811 1170694447 /nfs/dbraw/zinc/69/44/47/1170694447.db2.gz CWSNAWXEHFKUMK-PSASIEDQSA-N 1 3 198.266 -0.027 20 0 ABADHO C[C@H](Cn1cncn1)N[C@H]1C[C@H]([NH3+])C1 1576069469 1170694724 /nfs/dbraw/zinc/69/47/24/1170694724.db2.gz CUZSKHDYUIIYCZ-IWSPIJDZSA-N 1 3 195.270 -0.254 20 0 ABADHO C[C@H](Cn1cncn1)N[C@H]1C[C@@H]([NH3+])C1 1576069468 1170694761 /nfs/dbraw/zinc/69/47/61/1170694761.db2.gz CUZSKHDYUIIYCZ-HLTSFMKQSA-N 1 3 195.270 -0.254 20 0 ABADHO C[C@H](N)C[NH+]1[C@H](CO)CC[C@H]1CO 1576157502 1170696618 /nfs/dbraw/zinc/69/66/18/1170696618.db2.gz RWHGQQSDARCVAU-CIUDSAMLSA-N 1 3 188.271 -0.849 20 0 ABADHO C[C@@H](N)C[NH+]1[C@H](CO)CC[C@H]1CO 1576157503 1170697887 /nfs/dbraw/zinc/69/78/87/1170697887.db2.gz RWHGQQSDARCVAU-VGMNWLOBSA-N 1 3 188.271 -0.849 20 0 ABADHO CC1(C)CN(C(=O)[C@H]2C[C@H]2[NH3+])CCN1 1576456363 1170701534 /nfs/dbraw/zinc/70/15/34/1170701534.db2.gz RSJKNVBZWDUHPC-JGVFFNPUSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@H]1[C@@H](NC(=O)[C@H]2C[C@H]2[NH3+])CCN1C 1576578183 1170701791 /nfs/dbraw/zinc/70/17/91/1170701791.db2.gz DSDQTUYHWYOGBX-MAUMQABQSA-N 1 3 197.282 -0.458 20 0 ABADHO C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]2[NH3+])CCN1C 1576578182 1170703587 /nfs/dbraw/zinc/70/35/87/1170703587.db2.gz DSDQTUYHWYOGBX-BZNPZCIMSA-N 1 3 197.282 -0.458 20 0 ABADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2[NH3+])CCN1C 1576578185 1170704088 /nfs/dbraw/zinc/70/40/88/1170704088.db2.gz DSDQTUYHWYOGBX-XAVMHZPKSA-N 1 3 197.282 -0.458 20 0 ABADHO C[C@H]1[C@H](NC(=O)[C@H]2C[C@H]2[NH3+])CCN1C 1576578184 1170704469 /nfs/dbraw/zinc/70/44/69/1170704469.db2.gz DSDQTUYHWYOGBX-RBXMUDONSA-N 1 3 197.282 -0.458 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)CN1CC[C@@H](C)C1 1576729343 1170705724 /nfs/dbraw/zinc/70/57/24/1170705724.db2.gz LJANGQQZKKEEDU-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H]1CCN(CC(=O)N[C@@H](C)C[NH3+])C1 1576729344 1170705760 /nfs/dbraw/zinc/70/57/60/1170705760.db2.gz LJANGQQZKKEEDU-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CC[C@@H](CO)NC[C@@H]([NH3+])CCOC 1578221545 1170718077 /nfs/dbraw/zinc/71/80/77/1170718077.db2.gz DGEWPMRUGNZVCH-IUCAKERBSA-N 1 3 190.287 -0.289 20 0 ABADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)N)C1 1577654806 1170718107 /nfs/dbraw/zinc/71/81/07/1170718107.db2.gz IBQNGKARITWRHI-RKDXNWHRSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)N)C1 1577654806 1170718112 /nfs/dbraw/zinc/71/81/12/1170718112.db2.gz IBQNGKARITWRHI-RKDXNWHRSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[C@@H](CO)NC[C@H]([NH3+])CCOC 1578221544 1170720014 /nfs/dbraw/zinc/72/00/14/1170720014.db2.gz DGEWPMRUGNZVCH-BDAKNGLRSA-N 1 3 190.287 -0.289 20 0 ABADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)N)C1 1577654805 1170720155 /nfs/dbraw/zinc/72/01/55/1170720155.db2.gz IBQNGKARITWRHI-BDAKNGLRSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)N)C1 1577654805 1170720160 /nfs/dbraw/zinc/72/01/60/1170720160.db2.gz IBQNGKARITWRHI-BDAKNGLRSA-N 1 3 199.298 -0.114 20 0 ABADHO CC[N@H+](C)[C@@H]1CCN(C(=O)CN)C1 1577654619 1170721083 /nfs/dbraw/zinc/72/10/83/1170721083.db2.gz FLRUBPWQPREYHA-MRVPVSSYSA-N 1 3 185.271 -0.502 20 0 ABADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)CN)C1 1577654619 1170721085 /nfs/dbraw/zinc/72/10/85/1170721085.db2.gz FLRUBPWQPREYHA-MRVPVSSYSA-N 1 3 185.271 -0.502 20 0 ABADHO CC[N@H+](C)[C@H]1CCN(C(=O)CN)C1 1577654624 1170721303 /nfs/dbraw/zinc/72/13/03/1170721303.db2.gz FLRUBPWQPREYHA-QMMMGPOBSA-N 1 3 185.271 -0.502 20 0 ABADHO CC[N@@H+](C)[C@H]1CCN(C(=O)CN)C1 1577654624 1170721310 /nfs/dbraw/zinc/72/13/10/1170721310.db2.gz FLRUBPWQPREYHA-QMMMGPOBSA-N 1 3 185.271 -0.502 20 0 ABADHO CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H](C)N1 1578227107 1170722079 /nfs/dbraw/zinc/72/20/79/1170722079.db2.gz QQJPLUOULWWSAN-XHNCKOQMSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@H](CO)NC[C@@H]([NH3+])CCOC 1578231101 1170722292 /nfs/dbraw/zinc/72/22/92/1170722292.db2.gz DGEWPMRUGNZVCH-DTWKUNHWSA-N 1 3 190.287 -0.289 20 0 ABADHO CC[C@H](CO)NC[C@H]([NH3+])CCOC 1578231102 1170722534 /nfs/dbraw/zinc/72/25/34/1170722534.db2.gz DGEWPMRUGNZVCH-RKDXNWHRSA-N 1 3 190.287 -0.289 20 0 ABADHO CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H](C)N1 1578227106 1170723112 /nfs/dbraw/zinc/72/31/12/1170723112.db2.gz QQJPLUOULWWSAN-DJLDLDEBSA-N 1 3 199.298 -0.068 20 0 ABADHO CN1CCC[C@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 1578528366 1170724707 /nfs/dbraw/zinc/72/47/07/1170724707.db2.gz GXXZTFFZIIFVMD-UKKRHICBSA-N 1 3 195.310 -0.112 20 0 ABADHO C[NH2+]CC(=O)N1C[C@H]2CCN(C)[C@H]2C1 1578616771 1170725293 /nfs/dbraw/zinc/72/52/93/1170725293.db2.gz ZZJJLOSDNXRRFJ-BDAKNGLRSA-N 1 3 197.282 -0.632 20 0 ABADHO CN1CCC[C@@H](NC(=O)[C@H]2C[C@H]2[NH3+])C1 1578529147 1170725652 /nfs/dbraw/zinc/72/56/52/1170725652.db2.gz QPUAIVCSASJXIG-HRDYMLBCSA-N 1 3 197.282 -0.456 20 0 ABADHO CN1CCC[C@@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 1578528367 1170725813 /nfs/dbraw/zinc/72/58/13/1170725813.db2.gz GXXZTFFZIIFVMD-ZNSHCXBVSA-N 1 3 195.310 -0.112 20 0 ABADHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1[NH3+] 1578530898 1170726585 /nfs/dbraw/zinc/72/65/85/1170726585.db2.gz WGPHOHOXJIVWOV-HRDYMLBCSA-N 1 3 197.282 -0.456 20 0 ABADHO CNC[C@@H](O)C[N@@H+]1CC[C@H](O)[C@@H]1C 1578654499 1170728082 /nfs/dbraw/zinc/72/80/82/1170728082.db2.gz RBPRJGZNQPXMHZ-YIZRAAEISA-N 1 3 188.271 -0.978 20 0 ABADHO CNC[C@@H](O)C[N@H+]1CC[C@H](O)[C@@H]1C 1578654499 1170728087 /nfs/dbraw/zinc/72/80/87/1170728087.db2.gz RBPRJGZNQPXMHZ-YIZRAAEISA-N 1 3 188.271 -0.978 20 0 ABADHO COC(=O)C1CN(C[C@H]2C[C@@H]([NH3+])C2)C1 1578798393 1170728291 /nfs/dbraw/zinc/72/82/91/1170728291.db2.gz YVOXQXPFWGIKOD-OTSSQURYSA-N 1 3 198.266 -0.172 20 0 ABADHO CNC[C@H](O)C[N@@H+]1CC[C@H](O)[C@@H]1C 1578654498 1170729563 /nfs/dbraw/zinc/72/95/63/1170729563.db2.gz RBPRJGZNQPXMHZ-CIUDSAMLSA-N 1 3 188.271 -0.978 20 0 ABADHO CNC[C@H](O)C[N@H+]1CC[C@H](O)[C@@H]1C 1578654498 1170729571 /nfs/dbraw/zinc/72/95/71/1170729571.db2.gz RBPRJGZNQPXMHZ-CIUDSAMLSA-N 1 3 188.271 -0.978 20 0 ABADHO COCC[C@@H]([NH3+])CNCC[C@H](C)O 1579004161 1170730822 /nfs/dbraw/zinc/73/08/22/1170730822.db2.gz QWWPUUMFDLQOTD-DTWKUNHWSA-N 1 3 190.287 -0.289 20 0 ABADHO COCC[C@H]([NH3+])CNCC[C@H](C)O 1579004162 1170731178 /nfs/dbraw/zinc/73/11/78/1170731178.db2.gz QWWPUUMFDLQOTD-IUCAKERBSA-N 1 3 190.287 -0.289 20 0 ABADHO C[C@H]1[C@@H](O)CCN1CC1C[NH2+]C1 1579507999 1170737910 /nfs/dbraw/zinc/73/79/10/1170737910.db2.gz RYIJAXBRGWVCPY-CBAPKCEASA-N 1 3 170.256 -0.339 20 0 ABADHO NCC(=O)NC[C@H]1C[NH+]2CCC1CC2 1580210253 1170748411 /nfs/dbraw/zinc/74/84/11/1170748411.db2.gz FSOMSMNXLNPKNT-VIFPVBQESA-N 1 3 197.282 -0.597 20 0 ABADHO NC1(C[NH2+]C2COCCOC2)CC1 1580152408 1170748578 /nfs/dbraw/zinc/74/85/78/1170748578.db2.gz JOUUWFBFQFFROA-UHFFFAOYSA-N 1 3 186.255 -0.517 20 0 ABADHO NCC(=O)NC[C@@H]1C[NH+]2CCC1CC2 1580210251 1170750254 /nfs/dbraw/zinc/75/02/54/1170750254.db2.gz FSOMSMNXLNPKNT-SECBINFHSA-N 1 3 197.282 -0.597 20 0 ABADHO NC(=O)[C@H]1CC[C@@H]([NH2+]C2CC(N)C2)C1 1580099308 1170750906 /nfs/dbraw/zinc/75/09/06/1170750906.db2.gz XCVJVPJPGWNRCX-YRXIUSAGSA-N 1 3 197.282 -0.280 20 0 ABADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CO 1580372129 1170752450 /nfs/dbraw/zinc/75/24/50/1170752450.db2.gz YMXOPJJMAVSUCQ-DJLDLDEBSA-N 1 3 188.271 -0.801 20 0 ABADHO NCC[N@@H+]1CC[C@@]2(CCOC2=O)C1 1580310040 1170752896 /nfs/dbraw/zinc/75/28/96/1170752896.db2.gz BAGRZHFQILPGSB-SECBINFHSA-N 1 3 184.239 -0.416 20 0 ABADHO NCC[N@H+]1CC[C@@]2(CCOC2=O)C1 1580310040 1170752900 /nfs/dbraw/zinc/75/29/00/1170752900.db2.gz BAGRZHFQILPGSB-SECBINFHSA-N 1 3 184.239 -0.416 20 0 ABADHO [NH3+]CCCN1CC[C@@]2(O)C[C@H]2C1 1580298652 1170753724 /nfs/dbraw/zinc/75/37/24/1170753724.db2.gz UIOFRONJRJYCHK-DTWKUNHWSA-N 1 3 170.256 -0.208 20 0 ABADHO NCC[N@@H+]1CC[C@]2(CCOC2=O)C1 1580310041 1170755198 /nfs/dbraw/zinc/75/51/98/1170755198.db2.gz BAGRZHFQILPGSB-VIFPVBQESA-N 1 3 184.239 -0.416 20 0 ABADHO NCC[N@H+]1CC[C@]2(CCOC2=O)C1 1580310041 1170755204 /nfs/dbraw/zinc/75/52/04/1170755204.db2.gz BAGRZHFQILPGSB-VIFPVBQESA-N 1 3 184.239 -0.416 20 0 ABADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 1580430414 1170756500 /nfs/dbraw/zinc/75/65/00/1170756500.db2.gz LPSOKADUPOEWIN-CIUDSAMLSA-N 1 3 197.282 -0.266 20 0 ABADHO N[C@H]1C[C@H]([NH2+][C@H]2CCNC(=O)CC2)C1 1580430415 1170756703 /nfs/dbraw/zinc/75/67/03/1170756703.db2.gz LPSOKADUPOEWIN-IWSPIJDZSA-N 1 3 197.282 -0.266 20 0 ABADHO [NH3+][C@H]1C[C@H](N[C@@H]2CCOC2)C1 1580429925 1170756810 /nfs/dbraw/zinc/75/68/10/1170756810.db2.gz BOZGESOITLUTRU-BWZBUEFSSA-N 1 3 156.229 -0.145 20 0 ABADHO [NH3+][C@H]1C[C@H](N[C@H]2CCOC2)C1 1580429926 1170757876 /nfs/dbraw/zinc/75/78/76/1170757876.db2.gz BOZGESOITLUTRU-FXQIFTODSA-N 1 3 156.229 -0.145 20 0 ABADHO C[NH2+]C[C@H]1CCN(C[C@H](C)O)C1 70800070 571756801 /nfs/dbraw/zinc/75/68/01/571756801.db2.gz YAHNFMIQUDGCQS-DTWKUNHWSA-N 1 3 172.272 -0.092 20 0 ABADHO C[NH2+]C[C@H]1CCN(C[C@@H](C)O)C1 70800074 571756992 /nfs/dbraw/zinc/75/69/92/571756992.db2.gz YAHNFMIQUDGCQS-RKDXNWHRSA-N 1 3 172.272 -0.092 20 0 ABADHO C[C@H](O)CN(C)CCOCC[NH3+] 301019984 571797529 /nfs/dbraw/zinc/79/75/29/571797529.db2.gz JRBUOXXNDZFGIE-QMMMGPOBSA-N 1 3 176.260 -0.726 20 0 ABADHO C[C@@H](O)CN(C)CCOCC[NH3+] 301019983 571800134 /nfs/dbraw/zinc/80/01/34/571800134.db2.gz JRBUOXXNDZFGIE-MRVPVSSYSA-N 1 3 176.260 -0.726 20 0 ABADHO CCNC(=O)CC[N@H+]1C[C@@H](N)[C@H](C)C1 300048139 571888432 /nfs/dbraw/zinc/88/84/32/571888432.db2.gz HVCRAKNBFSATAE-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CCNC(=O)CC[N@@H+]1C[C@@H](N)[C@H](C)C1 300048139 571888434 /nfs/dbraw/zinc/88/84/34/571888434.db2.gz HVCRAKNBFSATAE-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CNC(=O)CCC[N@H+]1C[C@@H](N)[C@H](C)C1 300049971 571889003 /nfs/dbraw/zinc/88/90/03/571889003.db2.gz WAKVRYUYTVWXLO-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CNC(=O)CCC[N@@H+]1C[C@@H](N)[C@H](C)C1 300049971 571889007 /nfs/dbraw/zinc/88/90/07/571889007.db2.gz WAKVRYUYTVWXLO-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H]([NH3+])[C@@]1(O)CCN(C)C1 145196823 571890095 /nfs/dbraw/zinc/89/00/95/571890095.db2.gz XGFIRCNUIUDGOB-NKWVEPMBSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@H](N)[C@@]1(O)CC[N@H+](C)C1 145196823 571890099 /nfs/dbraw/zinc/89/00/99/571890099.db2.gz XGFIRCNUIUDGOB-NKWVEPMBSA-N 1 3 144.218 -0.600 20 0 ABADHO C[C@H](N)[C@@]1(O)CC[N@@H+](C)C1 145196823 571890101 /nfs/dbraw/zinc/89/01/01/571890101.db2.gz XGFIRCNUIUDGOB-NKWVEPMBSA-N 1 3 144.218 -0.600 20 0 ABADHO CO[C@@H]1CCN(CCOCC[NH3+])C1 234829476 571971074 /nfs/dbraw/zinc/97/10/74/571971074.db2.gz DTAVVHRQUICTFX-SECBINFHSA-N 1 3 188.271 -0.318 20 0 ABADHO CC[NH2+]CC(=O)N1CCN[C@@H](C)[C@H]1C 380018017 572133434 /nfs/dbraw/zinc/13/34/34/572133434.db2.gz VBOUOOHATNDFER-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@@H](N)C(=O)N(C)CC[NH2+]C 69803246 572145424 /nfs/dbraw/zinc/14/54/24/572145424.db2.gz VKOWVWQDQXIMSN-SSDOTTSWSA-N 1 3 173.260 -0.599 20 0 ABADHO C[NH2+]CCN(C)C(=O)[C@H](N)C(C)C 69803238 572145540 /nfs/dbraw/zinc/14/55/40/572145540.db2.gz JPSWELUVZOYYBZ-MRVPVSSYSA-N 1 3 187.287 -0.353 20 0 ABADHO C[NH2+]CCN(C)C(=O)CNC1CC1 69803225 572145752 /nfs/dbraw/zinc/14/57/52/572145752.db2.gz XLFWLJVJAZLPSY-UHFFFAOYSA-N 1 3 185.271 -0.584 20 0 ABADHO C[NH2+]CCN(C)C(=O)C1(N)CCCC1 69803290 572145826 /nfs/dbraw/zinc/14/58/26/572145826.db2.gz GLKXOWFMXRHAKS-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CN[C@@H](C)C(=O)N(C)CC[NH2+]C 69803254 572145917 /nfs/dbraw/zinc/14/59/17/572145917.db2.gz AEHFQRJDKPDXMT-ZETCQYMHSA-N 1 3 173.260 -0.728 20 0 ABADHO C[NH2+]CCN(C)C(=O)C(C)(C)N 69803199 572146078 /nfs/dbraw/zinc/14/60/78/572146078.db2.gz KSRYWUCOLGHWKQ-UHFFFAOYSA-N 1 3 173.260 -0.599 20 0 ABADHO CC[C@H](N)C(=O)N(C)CC[NH2+]C 69803244 572146299 /nfs/dbraw/zinc/14/62/99/572146299.db2.gz VKOWVWQDQXIMSN-ZETCQYMHSA-N 1 3 173.260 -0.599 20 0 ABADHO C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1 69803147 572146380 /nfs/dbraw/zinc/14/63/80/572146380.db2.gz GPMGGRBMGJMERN-VIFPVBQESA-N 1 3 199.298 -0.194 20 0 ABADHO C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1 69803148 572146426 /nfs/dbraw/zinc/14/64/26/572146426.db2.gz GPMGGRBMGJMERN-SECBINFHSA-N 1 3 199.298 -0.194 20 0 ABADHO C[NH2+]CCN(C)C(=O)[C@@H](C)N 69803096 572146450 /nfs/dbraw/zinc/14/64/50/572146450.db2.gz ITQQHRYDPOMRKU-ZCFIWIBFSA-N 1 3 159.233 -0.989 20 0 ABADHO C[NH2+]CCN(C)C(=O)[C@H](C)N 69803242 572147208 /nfs/dbraw/zinc/14/72/08/572147208.db2.gz ITQQHRYDPOMRKU-LURJTMIESA-N 1 3 159.233 -0.989 20 0 ABADHO CCNCC(=O)N(C)CC[NH2+]C 69803098 572147325 /nfs/dbraw/zinc/14/73/25/572147325.db2.gz MPDIBSFEETWYFQ-UHFFFAOYSA-N 1 3 173.260 -0.726 20 0 ABADHO CNCC(=O)NC[C@H]1CC[N@H+](C)C1 37484913 572159517 /nfs/dbraw/zinc/15/95/17/572159517.db2.gz UUIORPLLCFYDIU-MRVPVSSYSA-N 1 3 185.271 -0.726 20 0 ABADHO CNCC(=O)NC[C@H]1CC[N@@H+](C)C1 37484913 572159519 /nfs/dbraw/zinc/15/95/19/572159519.db2.gz UUIORPLLCFYDIU-MRVPVSSYSA-N 1 3 185.271 -0.726 20 0 ABADHO CNCC(=O)NC[C@@H]1CC[N@H+](C)C1 37484912 572159730 /nfs/dbraw/zinc/15/97/30/572159730.db2.gz UUIORPLLCFYDIU-QMMMGPOBSA-N 1 3 185.271 -0.726 20 0 ABADHO CNCC(=O)NC[C@@H]1CC[N@@H+](C)C1 37484912 572159732 /nfs/dbraw/zinc/15/97/32/572159732.db2.gz UUIORPLLCFYDIU-QMMMGPOBSA-N 1 3 185.271 -0.726 20 0 ABADHO C[N@@H+]1CC[C@H](CNCCC(N)=O)C1 37485044 572159852 /nfs/dbraw/zinc/15/98/52/572159852.db2.gz WGYVOEAMXPSEOY-MRVPVSSYSA-N 1 3 185.271 -0.597 20 0 ABADHO C[N@H+]1CC[C@H](CNCCC(N)=O)C1 37485044 572159853 /nfs/dbraw/zinc/15/98/53/572159853.db2.gz WGYVOEAMXPSEOY-MRVPVSSYSA-N 1 3 185.271 -0.597 20 0 ABADHO C[N@@H+]1CC[C@@H](CNCCC(N)=O)C1 37485045 572160528 /nfs/dbraw/zinc/16/05/28/572160528.db2.gz WGYVOEAMXPSEOY-QMMMGPOBSA-N 1 3 185.271 -0.597 20 0 ABADHO C[N@H+]1CC[C@@H](CNCCC(N)=O)C1 37485045 572160530 /nfs/dbraw/zinc/16/05/30/572160530.db2.gz WGYVOEAMXPSEOY-QMMMGPOBSA-N 1 3 185.271 -0.597 20 0 ABADHO CC[N@@H+]1CC[C@H](CNCCC(N)=O)C1 37484370 572162681 /nfs/dbraw/zinc/16/26/81/572162681.db2.gz VPBXRYVQXSWRAS-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO CC[N@H+]1CC[C@H](CNCCC(N)=O)C1 37484370 572162683 /nfs/dbraw/zinc/16/26/83/572162683.db2.gz VPBXRYVQXSWRAS-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO CCN1CC[C@H](C[NH2+]CCC(N)=O)C1 37484370 572162688 /nfs/dbraw/zinc/16/26/88/572162688.db2.gz VPBXRYVQXSWRAS-SECBINFHSA-N 1 3 199.298 -0.207 20 0 ABADHO CC[N@@H+]1CC[C@@H](CNCCC(N)=O)C1 37484371 572163931 /nfs/dbraw/zinc/16/39/31/572163931.db2.gz VPBXRYVQXSWRAS-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO CC[N@H+]1CC[C@@H](CNCCC(N)=O)C1 37484371 572163934 /nfs/dbraw/zinc/16/39/34/572163934.db2.gz VPBXRYVQXSWRAS-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO CCN1CC[C@@H](C[NH2+]CCC(N)=O)C1 37484371 572163939 /nfs/dbraw/zinc/16/39/39/572163939.db2.gz VPBXRYVQXSWRAS-VIFPVBQESA-N 1 3 199.298 -0.207 20 0 ABADHO CN(C)CCNC(=O)[C@H]1CCC[C@H]1[NH3+] 82920030 572174504 /nfs/dbraw/zinc/17/45/04/572174504.db2.gz HMIDORGYRFCIOX-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H](N)C(=O)N1CCC[NH2+]CC1 35738369 572183094 /nfs/dbraw/zinc/18/30/94/572183094.db2.gz OCGHWDKQSQVDIM-ZETCQYMHSA-N 1 3 171.244 -0.845 20 0 ABADHO C[NH2+]C[C@@H]1CCN(C[C@H](C)O)C1 234404199 572203445 /nfs/dbraw/zinc/20/34/45/572203445.db2.gz YAHNFMIQUDGCQS-IUCAKERBSA-N 1 3 172.272 -0.092 20 0 ABADHO NCC(=O)NCCCCCC[NH3+] 221424496 572366666 /nfs/dbraw/zinc/36/66/66/572366666.db2.gz PLEBZANXFXHBKK-UHFFFAOYSA-N 1 3 173.260 -0.420 20 0 ABADHO CC(C)[C@](C)(C[NH3+])NCCO 83758227 572393538 /nfs/dbraw/zinc/39/35/38/572393538.db2.gz MCVCOYGCIOKVIO-QMMMGPOBSA-N 1 3 160.261 -0.058 20 0 ABADHO C[C@@](C[NH3+])(NCCO)C1CC1 83758266 572394093 /nfs/dbraw/zinc/39/40/93/572394093.db2.gz FPQKUZIUICULNK-QMMMGPOBSA-N 1 3 158.245 -0.304 20 0 ABADHO CC(C)(C)[C@@H](C[NH3+])NCCO 83758127 572394573 /nfs/dbraw/zinc/39/45/73/572394573.db2.gz PELZVNPBBJPOIG-SSDOTTSWSA-N 1 3 160.261 -0.058 20 0 ABADHO CC(C)(C)[C@H](C[NH3+])NCCO 83758128 572394671 /nfs/dbraw/zinc/39/46/71/572394671.db2.gz PELZVNPBBJPOIG-ZETCQYMHSA-N 1 3 160.261 -0.058 20 0 ABADHO CC(C)[C@@](C)(C[NH3+])NCCO 83758226 572394822 /nfs/dbraw/zinc/39/48/22/572394822.db2.gz MCVCOYGCIOKVIO-MRVPVSSYSA-N 1 3 160.261 -0.058 20 0 ABADHO C[C@](C[NH3+])(NCCO)C1CC1 83758265 572397204 /nfs/dbraw/zinc/39/72/04/572397204.db2.gz FPQKUZIUICULNK-MRVPVSSYSA-N 1 3 158.245 -0.304 20 0 ABADHO NC1(C(=O)NCCCC[NH3+])CC1 83835370 572432112 /nfs/dbraw/zinc/43/21/12/572432112.db2.gz DZJSVHDMDJJFIH-UHFFFAOYSA-N 1 3 171.244 -0.667 20 0 ABADHO C[NH2+]CCN(C)C(=O)C1(N)CC1 83836296 572435787 /nfs/dbraw/zinc/43/57/87/572435787.db2.gz BNSGIGPBTYSMAS-UHFFFAOYSA-N 1 3 171.244 -0.845 20 0 ABADHO CN(CCC[NH+](C)C)C(=O)C1(N)CC1 83836178 572436764 /nfs/dbraw/zinc/43/67/64/572436764.db2.gz IYQFQGCFBARYLU-UHFFFAOYSA-N 1 3 199.298 -0.112 20 0 ABADHO C[C@H](C[NH3+])C(=O)NC1CCN(C)CC1 44800968 572479436 /nfs/dbraw/zinc/47/94/36/572479436.db2.gz ZEJJMSRBQOGICH-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO CCNCC(=O)N(C)CCC[NH2+]C 87471760 572505214 /nfs/dbraw/zinc/50/52/14/572505214.db2.gz SXFVIIJMIWSTFA-UHFFFAOYSA-N 1 3 187.287 -0.336 20 0 ABADHO C[NH2+][C@@H](C)CCNC(=O)CN 308073714 572607370 /nfs/dbraw/zinc/60/73/70/572607370.db2.gz BXHLEHMRFXEVLG-LURJTMIESA-N 1 3 159.233 -0.941 20 0 ABADHO C[NH2+][C@H](C)CCNC(=O)CN 308073717 572609364 /nfs/dbraw/zinc/60/93/64/572609364.db2.gz BXHLEHMRFXEVLG-ZCFIWIBFSA-N 1 3 159.233 -0.941 20 0 ABADHO CC[C@H](O)C[N@H+](C)C[C@H](O)CN 308075775 572618159 /nfs/dbraw/zinc/61/81/59/572618159.db2.gz FLQMVGRRMGDZQL-JGVFFNPUSA-N 1 3 176.260 -0.991 20 0 ABADHO CC[C@H](O)C[N@@H+](C)C[C@H](O)CN 308075775 572618162 /nfs/dbraw/zinc/61/81/62/572618162.db2.gz FLQMVGRRMGDZQL-JGVFFNPUSA-N 1 3 176.260 -0.991 20 0 ABADHO CC[C@H](O)C[N@H+](C)C[C@@H](O)CN 308075779 572618319 /nfs/dbraw/zinc/61/83/19/572618319.db2.gz FLQMVGRRMGDZQL-YUMQZZPRSA-N 1 3 176.260 -0.991 20 0 ABADHO CC[C@H](O)C[N@@H+](C)C[C@@H](O)CN 308075779 572618322 /nfs/dbraw/zinc/61/83/22/572618322.db2.gz FLQMVGRRMGDZQL-YUMQZZPRSA-N 1 3 176.260 -0.991 20 0 ABADHO C[N@H+](C[C@H](O)CN)CC(C)(C)O 308087234 572661495 /nfs/dbraw/zinc/66/14/95/572661495.db2.gz PIWKEIBTYQVGEY-SSDOTTSWSA-N 1 3 176.260 -0.991 20 0 ABADHO C[N@@H+](C[C@H](O)CN)CC(C)(C)O 308087234 572661497 /nfs/dbraw/zinc/66/14/97/572661497.db2.gz PIWKEIBTYQVGEY-SSDOTTSWSA-N 1 3 176.260 -0.991 20 0 ABADHO CN(C[C@H](O)C[NH3+])CC(C)(C)O 308087234 572661488 /nfs/dbraw/zinc/66/14/88/572661488.db2.gz PIWKEIBTYQVGEY-SSDOTTSWSA-N 1 3 176.260 -0.991 20 0 ABADHO CN(C[C@@H](O)C[NH3+])CC(C)(C)O 308087235 572662277 /nfs/dbraw/zinc/66/22/77/572662277.db2.gz PIWKEIBTYQVGEY-ZETCQYMHSA-N 1 3 176.260 -0.991 20 0 ABADHO C[N@H+](C[C@@H](O)CN)CC(C)(C)O 308087235 572662281 /nfs/dbraw/zinc/66/22/81/572662281.db2.gz PIWKEIBTYQVGEY-ZETCQYMHSA-N 1 3 176.260 -0.991 20 0 ABADHO C[N@@H+](C[C@@H](O)CN)CC(C)(C)O 308087235 572662285 /nfs/dbraw/zinc/66/22/85/572662285.db2.gz PIWKEIBTYQVGEY-ZETCQYMHSA-N 1 3 176.260 -0.991 20 0 ABADHO N[C@H](CC(F)F)C(=O)NCC[NH3+] 308110892 572749331 /nfs/dbraw/zinc/74/93/31/572749331.db2.gz KAXRJFIMGOLNEO-SCSAIBSYSA-N 1 3 181.186 -0.956 20 0 ABADHO N[C@@H](CC(F)F)C(=O)NCC[NH3+] 308110887 572752358 /nfs/dbraw/zinc/75/23/58/572752358.db2.gz KAXRJFIMGOLNEO-BYPYZUCNSA-N 1 3 181.186 -0.956 20 0 ABADHO C[NH+](C)CC[C@@H](N)CO 70884697 572754262 /nfs/dbraw/zinc/75/42/62/572754262.db2.gz LXHODDCRRWSDQF-ZCFIWIBFSA-N 1 3 132.207 -0.742 20 0 ABADHO C[NH+](C)CC[C@H](N)CO 70884692 572753495 /nfs/dbraw/zinc/75/34/95/572753495.db2.gz LXHODDCRRWSDQF-LURJTMIESA-N 1 3 132.207 -0.742 20 0 ABADHO C[C@H]([NH3+])CCNC(=O)[C@@H]1NCC1(C)C 380115607 572829435 /nfs/dbraw/zinc/82/94/35/572829435.db2.gz PJAUZISYZHUSAK-YUMQZZPRSA-N 1 3 199.298 -0.162 20 0 ABADHO N[C@H](CC1CC1)C(=O)NCC[NH3+] 307956115 572836900 /nfs/dbraw/zinc/83/69/00/572836900.db2.gz FTHOSQJWNCRIAS-SSDOTTSWSA-N 1 3 171.244 -0.811 20 0 ABADHO N[C@@H](CC1CC1)C(=O)NCC[NH3+] 307956116 572837694 /nfs/dbraw/zinc/83/76/94/572837694.db2.gz FTHOSQJWNCRIAS-ZETCQYMHSA-N 1 3 171.244 -0.811 20 0 ABADHO CNC(=[NH2+])NC[C@H](C)CN(C)C 307956838 572837741 /nfs/dbraw/zinc/83/77/41/572837741.db2.gz GKDOQAMEYUDOLX-ZETCQYMHSA-N 1 3 172.276 -0.072 20 0 ABADHO CNC(=[NH2+])NC[C@@H](C)CN(C)C 307956836 572838015 /nfs/dbraw/zinc/83/80/15/572838015.db2.gz GKDOQAMEYUDOLX-SSDOTTSWSA-N 1 3 172.276 -0.072 20 0 ABADHO CCNCC(=O)NC[C@H](C)[NH3+] 308145588 572852321 /nfs/dbraw/zinc/85/23/21/572852321.db2.gz JVAOJNVPXXWAQL-LURJTMIESA-N 1 3 159.233 -0.941 20 0 ABADHO CCNCC(=O)NC[C@@H](C)[NH3+] 308145589 572853639 /nfs/dbraw/zinc/85/36/39/572853639.db2.gz JVAOJNVPXXWAQL-ZCFIWIBFSA-N 1 3 159.233 -0.941 20 0 ABADHO C[NH2+]CCCNC(=O)[C@@H](C)N 308145582 572853751 /nfs/dbraw/zinc/85/37/51/572853751.db2.gz JUJJYUFCDVMLRX-ZCFIWIBFSA-N 1 3 159.233 -0.941 20 0 ABADHO CN(CC(N)=O)C[C@H]1CC[C@@H]([NH3+])C1 308147271 572857624 /nfs/dbraw/zinc/85/76/24/572857624.db2.gz ZREBDWSDMCNYAT-JGVFFNPUSA-N 1 3 185.271 -0.469 20 0 ABADHO [NH3+]CC1(O)CCN(CCCO)CC1 238614580 572873524 /nfs/dbraw/zinc/87/35/24/572873524.db2.gz FPNGAGYZHJVZEP-UHFFFAOYSA-N 1 3 188.271 -0.846 20 0 ABADHO CNCC(=O)NCC[C@@H](C)[NH2+]C 308159699 572880877 /nfs/dbraw/zinc/88/08/77/572880877.db2.gz DAUYPSMOQSAQLL-SSDOTTSWSA-N 1 3 173.260 -0.680 20 0 ABADHO CNCC(=O)NCC[C@H](C)[NH2+]C 308159701 572882261 /nfs/dbraw/zinc/88/22/61/572882261.db2.gz DAUYPSMOQSAQLL-ZETCQYMHSA-N 1 3 173.260 -0.680 20 0 ABADHO NCc1ccnc2nc(CC[NH3+])nn12 236270512 572898042 /nfs/dbraw/zinc/89/80/42/572898042.db2.gz GNRLICRGDPTLCL-UHFFFAOYSA-N 1 3 192.226 -0.916 20 0 ABADHO CN(C)CCCNC1=[NH+]CCN1C 308177502 572902947 /nfs/dbraw/zinc/90/29/47/572902947.db2.gz BDCFBHFBBUWUAJ-UHFFFAOYSA-N 1 3 184.287 -0.171 20 0 ABADHO C[NH2+][C@H](C)CCNC(=O)[C@@H](C)N 308182629 572910764 /nfs/dbraw/zinc/91/07/64/572910764.db2.gz HHOQLFPYQUITAK-RNFRBKRXSA-N 1 3 173.260 -0.552 20 0 ABADHO [NH3+]CCNCCCCO 50523711 572907918 /nfs/dbraw/zinc/90/79/18/572907918.db2.gz BREALZQYMJKZGJ-UHFFFAOYSA-N 1 3 132.207 -0.693 20 0 ABADHO C[NH2+][C@H](C)CCNC(=O)[C@H](C)N 308182630 572911544 /nfs/dbraw/zinc/91/15/44/572911544.db2.gz HHOQLFPYQUITAK-RQJHMYQMSA-N 1 3 173.260 -0.552 20 0 ABADHO NCC(C[NH3+])NCc1ccno1 308196455 572938682 /nfs/dbraw/zinc/93/86/82/572938682.db2.gz SODSOWBQPAZPPS-UHFFFAOYSA-N 1 3 170.216 -0.950 20 0 ABADHO NC1(C(=O)NCCCC[NH3+])CCC1 88050777 572944796 /nfs/dbraw/zinc/94/47/96/572944796.db2.gz AHJKKPCXHUUYEH-UHFFFAOYSA-N 1 3 185.271 -0.277 20 0 ABADHO C[NH2+]CCN(C)C(=O)C1(N)CCC1 88051246 572945555 /nfs/dbraw/zinc/94/55/55/572945555.db2.gz DAYXBPBYXUFXOY-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO c1nc(CNCC2CC[NH2+]CC2)n[nH]1 86700748 572971811 /nfs/dbraw/zinc/97/18/11/572971811.db2.gz QHKBHSQAUJOVJN-UHFFFAOYSA-N 1 3 195.270 -0.106 20 0 ABADHO c1nnc(CNCC2CC[NH2+]CC2)[nH]1 86700748 572971814 /nfs/dbraw/zinc/97/18/14/572971814.db2.gz QHKBHSQAUJOVJN-UHFFFAOYSA-N 1 3 195.270 -0.106 20 0 ABADHO C[NH2+]CCN(C)C(=O)[C@@H](N)CC1CC1 308483889 573022456 /nfs/dbraw/zinc/02/24/56/573022456.db2.gz NVQSMDQFLNSZMF-VIFPVBQESA-N 1 3 199.298 -0.208 20 0 ABADHO NC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 82393526 573025530 /nfs/dbraw/zinc/02/55/30/573025530.db2.gz UDYIKFSNNSFXBN-HTQZYQBOSA-N 1 3 198.270 -0.667 20 0 ABADHO CCNCC(=O)NCC[C@H](C)[NH2+]C 393656552 573066680 /nfs/dbraw/zinc/06/66/80/573066680.db2.gz ISYFJWGLWJNZQO-QMMMGPOBSA-N 1 3 187.287 -0.290 20 0 ABADHO CNCC(=O)N(C)CCC[NH+](C)C 77273851 573112325 /nfs/dbraw/zinc/11/23/25/573112325.db2.gz MNAPDTYNPDMNSI-UHFFFAOYSA-N 1 3 187.287 -0.384 20 0 ABADHO [NH3+][C@]12CNCC[C@H]1C2 144041398 573120377 /nfs/dbraw/zinc/12/03/77/573120377.db2.gz VAQYLZQUNFNAQN-NTSWFWBYSA-N 1 3 112.176 -0.303 20 0 ABADHO C[C@@H]([NH3+])C1(O)CCN(C)CC1 258547950 573141083 /nfs/dbraw/zinc/14/10/83/573141083.db2.gz PBNRHIOCSYOVRM-SSDOTTSWSA-N 1 3 158.245 -0.210 20 0 ABADHO C[C@H]([NH3+])C1(O)CCN(C)CC1 258547959 573141497 /nfs/dbraw/zinc/14/14/97/573141497.db2.gz PBNRHIOCSYOVRM-ZETCQYMHSA-N 1 3 158.245 -0.210 20 0 ABADHO CCNCC(=O)N1CCCC[C@@H]1C[NH3+] 308850127 573172465 /nfs/dbraw/zinc/17/24/65/573172465.db2.gz NYIMWWRDHBXUQZ-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO CCNCC(=O)N1CCCC[C@H]1C[NH3+] 308850129 573173496 /nfs/dbraw/zinc/17/34/96/573173496.db2.gz NYIMWWRDHBXUQZ-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO CNC(=O)CN(C)C1CCC([NH3+])CC1 85870096 573174132 /nfs/dbraw/zinc/17/41/32/573174132.db2.gz GJHPZKFXZRHARM-UHFFFAOYSA-N 1 3 199.298 -0.066 20 0 ABADHO CN(CC(N)=O)C1CCC([NH3+])CC1 85869696 573174328 /nfs/dbraw/zinc/17/43/28/573174328.db2.gz GTSOBWDCRUUMQK-UHFFFAOYSA-N 1 3 185.271 -0.327 20 0 ABADHO NC1(C2C[NH2+]C2)CC1 211597275 573216155 /nfs/dbraw/zinc/21/61/55/573216155.db2.gz ZLMLDWNYXBIMCG-UHFFFAOYSA-N 1 3 112.176 -0.303 20 0 ABADHO CCNCC(=O)NCC[NH2+]C1CC1 308539976 573284103 /nfs/dbraw/zinc/28/41/03/573284103.db2.gz IETPUSRUKUKEIZ-UHFFFAOYSA-N 1 3 185.271 -0.536 20 0 ABADHO CN(C[C@H]1CCCN1C)C1C[NH2+]C1 86188786 573288699 /nfs/dbraw/zinc/28/86/99/573288699.db2.gz XSYZXTROECSJPH-SECBINFHSA-N 1 3 183.299 -0.016 20 0 ABADHO CCNCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 308858753 573311241 /nfs/dbraw/zinc/31/12/41/573311241.db2.gz AAUMFHDOTKCTCA-DTWKUNHWSA-N 1 3 199.298 -0.147 20 0 ABADHO CCNCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 308858754 573311462 /nfs/dbraw/zinc/31/14/62/573311462.db2.gz AAUMFHDOTKCTCA-IUCAKERBSA-N 1 3 199.298 -0.147 20 0 ABADHO CN(C)CCNC(=O)C[C@H]([NH3+])C1CC1 129737437 573358217 /nfs/dbraw/zinc/35/82/17/573358217.db2.gz CRRWSAXWPYEXNC-VIFPVBQESA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)C[NH3+] 308374291 573367877 /nfs/dbraw/zinc/36/78/77/573367877.db2.gz MMINNHSIHPXTKS-NKWVEPMBSA-N 1 3 173.260 -0.567 20 0 ABADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C[NH3+] 308374290 573368224 /nfs/dbraw/zinc/36/82/24/573368224.db2.gz MMINNHSIHPXTKS-BQBZGAKWSA-N 1 3 173.260 -0.567 20 0 ABADHO CCNCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] 308889870 573375849 /nfs/dbraw/zinc/37/58/49/573375849.db2.gz XFDHLGPCUSXNDM-RKDXNWHRSA-N 1 3 199.298 -0.018 20 0 ABADHO CNCC(=O)N1CC[C@](C)(C[NH3+])C1 308571557 573401114 /nfs/dbraw/zinc/40/11/14/573401114.db2.gz KMYSTJRICJXGNA-SECBINFHSA-N 1 3 185.271 -0.597 20 0 ABADHO CNCC(=O)N1CC[C@@](C)(C[NH3+])C1 308571558 573402265 /nfs/dbraw/zinc/40/22/65/573402265.db2.gz KMYSTJRICJXGNA-VIFPVBQESA-N 1 3 185.271 -0.597 20 0 ABADHO CC[NH2+]CC(=O)N1CCNCC1(C)C 308863349 573403862 /nfs/dbraw/zinc/40/38/62/573403862.db2.gz CMGFUXDEPJOCFO-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)C1(N)CC1 308384876 573408612 /nfs/dbraw/zinc/40/86/12/573408612.db2.gz SXSAGDYSALTVAJ-LURJTMIESA-N 1 3 171.244 -0.669 20 0 ABADHO CCNCC(=O)NCC[NH2+]CC 308382252 573421275 /nfs/dbraw/zinc/42/12/75/573421275.db2.gz RCIRSSAPZKTIPM-UHFFFAOYSA-N 1 3 173.260 -0.678 20 0 ABADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@H]1C[NH3+] 715151483 573450363 /nfs/dbraw/zinc/45/03/63/573450363.db2.gz QJPXLKGFMOYOQL-CIUDSAMLSA-N 1 3 199.298 -0.353 20 0 ABADHO CCNCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C 308891729 573496389 /nfs/dbraw/zinc/49/63/89/573496389.db2.gz XDXLKVKXCMSOGE-RKDXNWHRSA-N 1 3 199.298 -0.147 20 0 ABADHO CCNCC(=O)N[C@H]1CC[NH2+]C1 308393167 573497991 /nfs/dbraw/zinc/49/79/91/573497991.db2.gz BUYVRQIIOIOFRH-ZETCQYMHSA-N 1 3 171.244 -0.926 20 0 ABADHO CCNCC(=O)NC[C@@H](C)C[NH3+] 308396611 573510001 /nfs/dbraw/zinc/51/00/01/573510001.db2.gz FBTVRBSUADQHOA-ZETCQYMHSA-N 1 3 173.260 -0.693 20 0 ABADHO CC[NH2+]CC(=O)N1C[C@H](C)N[C@H](C)C1 308869284 573534512 /nfs/dbraw/zinc/53/45/12/573534512.db2.gz IKBPJBCQPGYVSW-DTORHVGOSA-N 1 3 199.298 -0.195 20 0 ABADHO CCNCC(=O)N[C@@H]1CCC[NH2+]CC1 308869665 573548306 /nfs/dbraw/zinc/54/83/06/573548306.db2.gz IPSLMUGBEZPNDP-SECBINFHSA-N 1 3 199.298 -0.146 20 0 ABADHO CCNCC(=O)N[C@H]1CCC[NH2+]CC1 308869666 573552353 /nfs/dbraw/zinc/55/23/53/573552353.db2.gz IPSLMUGBEZPNDP-VIFPVBQESA-N 1 3 199.298 -0.146 20 0 ABADHO C[C@@H](N[C@H]1CCN(C)C1)C1C[NH2+]C1 686247103 573553750 /nfs/dbraw/zinc/55/37/50/573553750.db2.gz UPLNGNQJELPDCU-SCZZXKLOSA-N 1 3 183.299 -0.112 20 0 ABADHO C[C@H](N[C@H]1CCN(C)C1)C1C[NH2+]C1 686247105 573554109 /nfs/dbraw/zinc/55/41/09/573554109.db2.gz UPLNGNQJELPDCU-WPRPVWTQSA-N 1 3 183.299 -0.112 20 0 ABADHO C[C@H](N[C@@H]1CCN(C)C1)C1C[NH2+]C1 686247104 573554250 /nfs/dbraw/zinc/55/42/50/573554250.db2.gz UPLNGNQJELPDCU-WCBMZHEXSA-N 1 3 183.299 -0.112 20 0 ABADHO C[C@@H](N[C@@H]1CCN(C)C1)C1C[NH2+]C1 686247101 573554355 /nfs/dbraw/zinc/55/43/55/573554355.db2.gz UPLNGNQJELPDCU-PSASIEDQSA-N 1 3 183.299 -0.112 20 0 ABADHO CCNCC(=O)N1CC[C@H](C[NH3+])C1 308635053 573572877 /nfs/dbraw/zinc/57/28/77/573572877.db2.gz CCPFGXKWDHWENF-MRVPVSSYSA-N 1 3 185.271 -0.597 20 0 ABADHO CCNCC(=O)NC[C@@H]1CCC[NH2+]C1 308872020 573605833 /nfs/dbraw/zinc/60/58/33/573605833.db2.gz KPOFIVZTXINAEA-SECBINFHSA-N 1 3 199.298 -0.288 20 0 ABADHO CCNCC(=O)NC[C@H]1CCC[NH2+]C1 308872022 573606339 /nfs/dbraw/zinc/60/63/39/573606339.db2.gz KPOFIVZTXINAEA-VIFPVBQESA-N 1 3 199.298 -0.288 20 0 ABADHO C[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 308649631 573610659 /nfs/dbraw/zinc/61/06/59/573610659.db2.gz JOAGUMQTSWSAPK-JGVFFNPUSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 308649632 573612828 /nfs/dbraw/zinc/61/28/28/573612828.db2.gz JOAGUMQTSWSAPK-YUMQZZPRSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@@H](N)CC(F)F 308642995 573618074 /nfs/dbraw/zinc/61/80/74/573618074.db2.gz FUTWSKJLEHPMBF-WHFBIAKZSA-N 1 3 195.213 -0.568 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@H](N)CC(F)F 308642993 573618851 /nfs/dbraw/zinc/61/88/51/573618851.db2.gz FUTWSKJLEHPMBF-RFZPGFLSSA-N 1 3 195.213 -0.568 20 0 ABADHO C[C@@H]([NH3+])CNC(=O)[C@@H](N)CC(F)F 308642994 573619332 /nfs/dbraw/zinc/61/93/32/573619332.db2.gz FUTWSKJLEHPMBF-UHNVWZDZSA-N 1 3 195.213 -0.568 20 0 ABADHO CCNCC(=O)N1CCC[C@H]([NH3+])C1 308644252 573625021 /nfs/dbraw/zinc/62/50/21/573625021.db2.gz GQQUODWFPWQSAK-QMMMGPOBSA-N 1 3 185.271 -0.454 20 0 ABADHO CNCC(=O)N1CCC[C@H](C[NH2+]C)C1 308873311 573626755 /nfs/dbraw/zinc/62/67/55/573626755.db2.gz LXCLEGNFWWTYTF-SECBINFHSA-N 1 3 199.298 -0.336 20 0 ABADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)N)C1 308650427 573627829 /nfs/dbraw/zinc/62/78/29/573627829.db2.gz KBORNFDSKKBGIN-HTQZYQBOSA-N 1 3 185.271 -0.599 20 0 ABADHO CCNCC(=O)NCC1([NH3+])CCC1 308650489 573630981 /nfs/dbraw/zinc/63/09/81/573630981.db2.gz KDIICKVSXDAZQI-UHFFFAOYSA-N 1 3 185.271 -0.407 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@@H](N)C(C)(C)C 308653801 573644113 /nfs/dbraw/zinc/64/41/13/573644113.db2.gz MQWPLQGDQJAIEJ-NKWVEPMBSA-N 1 3 187.287 -0.177 20 0 ABADHO CC[C@H](N)C(=O)NC[C@H](C)C[NH2+]C 308654987 573647038 /nfs/dbraw/zinc/64/70/38/573647038.db2.gz NOQXUJANXYXMKW-SFYZADRCSA-N 1 3 187.287 -0.305 20 0 ABADHO CCNCC(=O)N1CCC([NH3+])CC1 308655654 573652619 /nfs/dbraw/zinc/65/26/19/573652619.db2.gz OAFUXBCLTNDXPQ-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO CCNCC(=O)NC[C@@H]([NH3+])C1CC1 308666658 573660170 /nfs/dbraw/zinc/66/01/70/573660170.db2.gz SSYIQLSCFMYAQB-MRVPVSSYSA-N 1 3 185.271 -0.551 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@@H](N)CC(F)F 308666685 573661329 /nfs/dbraw/zinc/66/13/29/573661329.db2.gz SUGBMJVZXKFDQU-WHFBIAKZSA-N 1 3 195.213 -0.568 20 0 ABADHO C[C@H](C[NH3+])NC(=O)[C@@H](N)CC(F)F 308666684 573662570 /nfs/dbraw/zinc/66/25/70/573662570.db2.gz SUGBMJVZXKFDQU-UHNVWZDZSA-N 1 3 195.213 -0.568 20 0 ABADHO C[C@@H](C[NH3+])NC(=O)[C@H](N)CC(F)F 308666682 573664647 /nfs/dbraw/zinc/66/46/47/573664647.db2.gz SUGBMJVZXKFDQU-CRCLSJGQSA-N 1 3 195.213 -0.568 20 0 ABADHO C[NH+]1CCC(NC(=O)C2(N)CC2)CC1 83834148 573671056 /nfs/dbraw/zinc/67/10/56/573671056.db2.gz STISQBGDKINSPT-UHFFFAOYSA-N 1 3 197.282 -0.312 20 0 ABADHO NC1(C(=O)N2CCC[NH2+]CC2)CC1 83834244 573671877 /nfs/dbraw/zinc/67/18/77/573671877.db2.gz NGSPUIZNODMRJC-UHFFFAOYSA-N 1 3 183.255 -0.700 20 0 ABADHO C[N@@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 83834685 573672148 /nfs/dbraw/zinc/67/21/48/573672148.db2.gz MNDHVTYIVQEKED-MRVPVSSYSA-N 1 3 197.282 -0.454 20 0 ABADHO C[N@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 83834685 573672153 /nfs/dbraw/zinc/67/21/53/573672153.db2.gz MNDHVTYIVQEKED-MRVPVSSYSA-N 1 3 197.282 -0.454 20 0 ABADHO C[N@@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 83834687 573674188 /nfs/dbraw/zinc/67/41/88/573674188.db2.gz MNDHVTYIVQEKED-QMMMGPOBSA-N 1 3 197.282 -0.454 20 0 ABADHO C[N@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 83834687 573674194 /nfs/dbraw/zinc/67/41/94/573674194.db2.gz MNDHVTYIVQEKED-QMMMGPOBSA-N 1 3 197.282 -0.454 20 0 ABADHO C[C@@H]1CN(CCO)CC[C@@H]1[NH3+] 86886473 573676800 /nfs/dbraw/zinc/67/68/00/573676800.db2.gz XCWCPRFHVMGTAP-SFYZADRCSA-N 1 3 158.245 -0.352 20 0 ABADHO CCNCC(=O)N1CC[C@H]([NH2+]C)C1 308687732 573699895 /nfs/dbraw/zinc/69/98/95/573699895.db2.gz BIQDRECRDOIDQO-QMMMGPOBSA-N 1 3 185.271 -0.584 20 0 ABADHO CCNCC(=O)N[C@@H](C)CC[NH3+] 308425298 573700041 /nfs/dbraw/zinc/70/00/41/573700041.db2.gz WGASEPVBRWQTHG-ZETCQYMHSA-N 1 3 173.260 -0.551 20 0 ABADHO C1CNC[C@H](C2=[NH+]CCN2)C1 108264204 573712184 /nfs/dbraw/zinc/71/21/84/573712184.db2.gz NQYQBDRNKTYXRJ-SSDOTTSWSA-N 1 3 153.229 -0.012 20 0 ABADHO CC[C@H](N)C(=O)NCCCC[NH3+] 40832487 573716591 /nfs/dbraw/zinc/71/65/91/573716591.db2.gz GKVQJTMQIBIXPC-ZETCQYMHSA-N 1 3 173.260 -0.421 20 0 ABADHO C[C@H](N)C(=O)NCCCC[NH3+] 40832453 573717512 /nfs/dbraw/zinc/71/75/12/573717512.db2.gz RHFZJIPFCOZPLW-LURJTMIESA-N 1 3 159.233 -0.811 20 0 ABADHO CNCC(=O)NCCCC[NH3+] 40832455 573717655 /nfs/dbraw/zinc/71/76/55/573717655.db2.gz UNJUYCKMDSMTJY-UHFFFAOYSA-N 1 3 159.233 -0.939 20 0 ABADHO CC(C)[C@@H](N)C(=O)NCCCC[NH3+] 40832452 573717839 /nfs/dbraw/zinc/71/78/39/573717839.db2.gz HDORORFDDFKEHV-MRVPVSSYSA-N 1 3 187.287 -0.175 20 0 ABADHO CC(C)NCC(=O)NCCCC[NH3+] 40832494 573720030 /nfs/dbraw/zinc/72/00/30/573720030.db2.gz ZCXZKUBGNSFAML-UHFFFAOYSA-N 1 3 187.287 -0.161 20 0 ABADHO CC(C)[C@H](N)C(=O)NCCCC[NH3+] 40832451 573720767 /nfs/dbraw/zinc/72/07/67/573720767.db2.gz HDORORFDDFKEHV-QMMMGPOBSA-N 1 3 187.287 -0.175 20 0 ABADHO CCNCC(=O)N(C)[C@H]1CC[NH2+]C1 308700258 573748810 /nfs/dbraw/zinc/74/88/10/573748810.db2.gz XIUDGDFVOGCLRM-QMMMGPOBSA-N 1 3 185.271 -0.584 20 0 ABADHO CNCC(=O)N1CC[C@@H](C[NH2+]C)C1 308716925 573771575 /nfs/dbraw/zinc/77/15/75/573771575.db2.gz BPVIYTMFSPRMBD-QMMMGPOBSA-N 1 3 185.271 -0.726 20 0 ABADHO CCNCC(=O)N[C@H]1CCC[NH2+]C1 308739216 573785326 /nfs/dbraw/zinc/78/53/26/573785326.db2.gz NONWKTNWDIXUHI-QMMMGPOBSA-N 1 3 185.271 -0.536 20 0 ABADHO CCNCC(=O)N1CC[C@H]([NH3+])C1 308430849 573786045 /nfs/dbraw/zinc/78/60/45/573786045.db2.gz ZOWUTKZOASFOGM-ZETCQYMHSA-N 1 3 171.244 -0.845 20 0 ABADHO CNCC(=O)N(C)C1CC[NH2+]CC1 308724101 573788044 /nfs/dbraw/zinc/78/80/44/573788044.db2.gz FTBSXWWTHVURAU-UHFFFAOYSA-N 1 3 185.271 -0.584 20 0 ABADHO C[C@H](O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1 87141049 573796538 /nfs/dbraw/zinc/79/65/38/573796538.db2.gz QEJFORRNLPGXJO-AATLWQCWSA-N 1 3 184.283 -0.093 20 0 ABADHO CCNCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 308896152 573796615 /nfs/dbraw/zinc/79/66/15/573796615.db2.gz ZMGJUQQERWBECP-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO CCNCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 308896149 573796875 /nfs/dbraw/zinc/79/68/75/573796875.db2.gz ZMGJUQQERWBECP-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H]([C@@H](C)O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 87141044 573797736 /nfs/dbraw/zinc/79/77/36/573797736.db2.gz QEJFORRNLPGXJO-QCLAVDOMSA-N 1 3 184.283 -0.093 20 0 ABADHO C[C@H](O)[C@@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1 87141052 573798250 /nfs/dbraw/zinc/79/82/50/573798250.db2.gz QEJFORRNLPGXJO-RGOKHQFPSA-N 1 3 184.283 -0.093 20 0 ABADHO CCNCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 308820377 573891647 /nfs/dbraw/zinc/89/16/47/573891647.db2.gz BTKVREMHDWTOSI-IUCAKERBSA-N 1 3 199.298 -0.208 20 0 ABADHO CCNCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 308820375 573894915 /nfs/dbraw/zinc/89/49/15/573894915.db2.gz BTKVREMHDWTOSI-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO CCNCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 308820379 573897007 /nfs/dbraw/zinc/89/70/07/573897007.db2.gz BTKVREMHDWTOSI-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH+](C)CCCCNC(=O)CN 41679549 573908265 /nfs/dbraw/zinc/90/82/65/573908265.db2.gz MWZMWABKRMMTMJ-UHFFFAOYSA-N 1 3 173.260 -0.597 20 0 ABADHO C[NH2+]CC(=O)NC[C@H]1CCCCN1C 44564556 573915756 /nfs/dbraw/zinc/91/57/56/573915756.db2.gz IHVPVUIYYARODE-SECBINFHSA-N 1 3 199.298 -0.194 20 0 ABADHO CN1CCCC[C@@H]1CNC(=O)CC[NH3+] 44564301 573917637 /nfs/dbraw/zinc/91/76/37/573917637.db2.gz FBCDMOXUSXGBKU-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO CN1CCCC[C@H]1CNC(=O)CC[NH3+] 44564303 573917984 /nfs/dbraw/zinc/91/79/84/573917984.db2.gz FBCDMOXUSXGBKU-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO CCNCC(=O)NCCC[NH+](C)C 44646738 573919320 /nfs/dbraw/zinc/91/93/20/573919320.db2.gz FYNILDUNBSMELL-UHFFFAOYSA-N 1 3 187.287 -0.336 20 0 ABADHO CCNCC(=O)NC[C@H]1CC[N@H+](C)C1 44649388 573919366 /nfs/dbraw/zinc/91/93/66/573919366.db2.gz JJLUTEXYZFKRCZ-SECBINFHSA-N 1 3 199.298 -0.336 20 0 ABADHO CCNCC(=O)NC[C@H]1CC[N@@H+](C)C1 44649388 573919371 /nfs/dbraw/zinc/91/93/71/573919371.db2.gz JJLUTEXYZFKRCZ-SECBINFHSA-N 1 3 199.298 -0.336 20 0 ABADHO CC[NH2+]CC(=O)NC1CCN(C)CC1 44647067 573923109 /nfs/dbraw/zinc/92/31/09/573923109.db2.gz FTKYJYANILEZQJ-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO CCNCC(=O)NC[C@@H]1CC[N@H+](C)C1 44649385 573924731 /nfs/dbraw/zinc/92/47/31/573924731.db2.gz JJLUTEXYZFKRCZ-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO CCNCC(=O)NC[C@@H]1CC[N@@H+](C)C1 44649385 573924735 /nfs/dbraw/zinc/92/47/35/573924735.db2.gz JJLUTEXYZFKRCZ-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO CCNCC(=O)N1CC[C@@](C)(C[NH3+])C1 308882092 573988126 /nfs/dbraw/zinc/98/81/26/573988126.db2.gz UQWUATAYCDWXKM-JTQLQIEISA-N 1 3 199.298 -0.207 20 0 ABADHO C[C@H](N)C(=O)N1CCC([NH3+])CC1 82255738 573991930 /nfs/dbraw/zinc/99/19/30/573991930.db2.gz FGPOGCBQWQBQRA-LURJTMIESA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@@H](N)C(=O)N1CCC([NH3+])CC1 82255739 573991948 /nfs/dbraw/zinc/99/19/48/573991948.db2.gz FGPOGCBQWQBQRA-ZCFIWIBFSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@@H](N)C(=O)NC1CC[NH2+]CC1 82255741 573994252 /nfs/dbraw/zinc/99/42/52/573994252.db2.gz GVYJMWURMVJMHR-ZCFIWIBFSA-N 1 3 171.244 -0.798 20 0 ABADHO CNCC(=O)NC1CC[NH2+]CC1 82256303 573996988 /nfs/dbraw/zinc/99/69/88/573996988.db2.gz AEIDJZYKIMFTOY-UHFFFAOYSA-N 1 3 171.244 -0.926 20 0 ABADHO CC(C)(N)C(=O)N1CCC([NH3+])CC1 82257172 573997220 /nfs/dbraw/zinc/99/72/20/573997220.db2.gz ZRLVMGSQIXZNIR-UHFFFAOYSA-N 1 3 185.271 -0.327 20 0 ABADHO NCC(=O)NCc1ccccc1C[NH3+] 308829340 574035291 /nfs/dbraw/zinc/03/52/91/574035291.db2.gz IXTJLSRLBIWWBU-UHFFFAOYSA-N 1 3 193.250 -0.280 20 0 ABADHO C[C@@H](CNC(N)=[NH2+])N1CCCC1 112332644 574037712 /nfs/dbraw/zinc/03/77/12/574037712.db2.gz WBBAKKCUVAVMAQ-ZETCQYMHSA-N 1 3 170.260 -0.046 20 0 ABADHO CN(C)CCNC(=O)CCC[NH3+] 11755301 486710263 /nfs/dbraw/zinc/71/02/63/486710263.db2.gz HMYRTWWCIYMTPC-UHFFFAOYSA-N 1 3 173.260 -0.597 20 0 ABADHO CC[NH2+]CCNC(=O)[C@H](C)NC 15894704 486711235 /nfs/dbraw/zinc/71/12/35/486711235.db2.gz DALVVAVMVGIQEQ-ZETCQYMHSA-N 1 3 173.260 -0.680 20 0 ABADHO CNCC(=O)NC(C)(C)C[NH3+] 17673663 486711874 /nfs/dbraw/zinc/71/18/74/486711874.db2.gz VKGUEPFTTJCEBR-UHFFFAOYSA-N 1 3 159.233 -0.941 20 0 ABADHO CC(C)[NH2+]CC(=O)NCCN(C)C 37477065 486719906 /nfs/dbraw/zinc/71/99/06/486719906.db2.gz ZAUKMDJCMYNGNF-UHFFFAOYSA-N 1 3 187.287 -0.338 20 0 ABADHO CN(C)CCNC(=O)CC[NH2+]C1CC1 37478043 486720057 /nfs/dbraw/zinc/72/00/57/486720057.db2.gz FZTWMGDNUIXNPW-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO CC(C)[NH2+]CC(=O)N1CCCNCC1 37477154 486720475 /nfs/dbraw/zinc/72/04/75/486720475.db2.gz VRBWVIOFQJGARY-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO CN(C(=O)CNC1CC1)C1CC([NH3+])C1 669520300 486723418 /nfs/dbraw/zinc/72/34/18/486723418.db2.gz AVFVJJMRBMAHFW-UHFFFAOYSA-N 1 3 197.282 -0.314 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@H]1C[C@H](C)CCN1 669517779 486723566 /nfs/dbraw/zinc/72/35/66/486723566.db2.gz TVYSSLGLDBLJHC-HRDYMLBCSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 669520964 486723647 /nfs/dbraw/zinc/72/36/47/486723647.db2.gz MVJMIYOFBLPSBD-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H](C)CCN1 669517781 486723694 /nfs/dbraw/zinc/72/36/94/486723694.db2.gz TVYSSLGLDBLJHC-XHNCKOQMSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@H]1CCCCN1 669520262 486723728 /nfs/dbraw/zinc/72/37/28/486723728.db2.gz PMUSXBNNYWSPMQ-DTWKUNHWSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCN1 669520261 486723742 /nfs/dbraw/zinc/72/37/42/486723742.db2.gz PMUSXBNNYWSPMQ-BDAKNGLRSA-N 1 3 199.298 -0.018 20 0 ABADHO CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCCN1 669520264 486723775 /nfs/dbraw/zinc/72/37/75/486723775.db2.gz PMUSXBNNYWSPMQ-RKDXNWHRSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H](C)CCN1 669517778 486723861 /nfs/dbraw/zinc/72/38/61/486723861.db2.gz TVYSSLGLDBLJHC-CIUDSAMLSA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCCN1 669520263 486723978 /nfs/dbraw/zinc/72/39/78/486723978.db2.gz PMUSXBNNYWSPMQ-IUCAKERBSA-N 1 3 199.298 -0.018 20 0 ABADHO C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H](C)CCN1 669517780 486724005 /nfs/dbraw/zinc/72/40/05/486724005.db2.gz TVYSSLGLDBLJHC-VGMNWLOBSA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+][C@@H](C)C(=O)NCCN(C)C 54071474 486752915 /nfs/dbraw/zinc/75/29/15/486752915.db2.gz BBCRRFJNBWIYAR-ZETCQYMHSA-N 1 3 173.260 -0.728 20 0 ABADHO C[NH2+][C@@H](C)C(=O)NCCN1CCCC1 54072175 486753027 /nfs/dbraw/zinc/75/30/27/486753027.db2.gz QKOZTRDOWPTNCC-VIFPVBQESA-N 1 3 199.298 -0.194 20 0 ABADHO CN[C@@H](C)C(=O)NCCC[NH+](C)C 54071684 486753220 /nfs/dbraw/zinc/75/32/20/486753220.db2.gz GLHKEZOEBNUBAS-QMMMGPOBSA-N 1 3 187.287 -0.338 20 0 ABADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N(C)C 54075684 486754110 /nfs/dbraw/zinc/75/41/10/486754110.db2.gz PFFDPVOWSUJQSA-SFYZADRCSA-N 1 3 187.287 -0.339 20 0 ABADHO C[NH2+][C@@H](C)C(=O)NC[C@H](C)N(C)C 54075683 486754472 /nfs/dbraw/zinc/75/44/72/486754472.db2.gz PFFDPVOWSUJQSA-YUMQZZPRSA-N 1 3 187.287 -0.339 20 0 ABADHO C[C@H](C[NH3+])C(=O)NCCN(C)C1CC1 61995899 486763737 /nfs/dbraw/zinc/76/37/37/486763737.db2.gz RUKAFRAXGOXJDR-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@@H](C[NH3+])C(=O)NCCN(C)C1CC1 61995895 486763909 /nfs/dbraw/zinc/76/39/09/486763909.db2.gz RUKAFRAXGOXJDR-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+]CCC(=O)NCCN(C)C1CC1 62010160 486764048 /nfs/dbraw/zinc/76/40/48/486764048.db2.gz ZJNIQWBBKLMTRG-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO C[C@@H]([NH3+])CC(=O)NCCN(C)C1CC1 62010206 486764210 /nfs/dbraw/zinc/76/42/10/486764210.db2.gz KATVUOBYQIUTIK-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH2+][C@@H](C)C(=O)NCCN(C)C1CC1 62010211 486764355 /nfs/dbraw/zinc/76/43/55/486764355.db2.gz FWGLDGSSFLKYOU-QMMMGPOBSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@H]([NH3+])CC(=O)NCCN(C)C1CC1 62010205 486764867 /nfs/dbraw/zinc/76/48/67/486764867.db2.gz KATVUOBYQIUTIK-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[N@H+](CCNC(=O)CN)C1CCCC1 70946085 486797148 /nfs/dbraw/zinc/79/71/48/486797148.db2.gz CVPMYQSOSJYYGX-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO C[N@@H+](CCNC(=O)CN)C1CCCC1 70946085 486797153 /nfs/dbraw/zinc/79/71/53/486797153.db2.gz CVPMYQSOSJYYGX-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CN(C)CCNC(=O)CC(C)(C)[NH3+] 82771492 486825517 /nfs/dbraw/zinc/82/55/17/486825517.db2.gz CSEGVLCAEJVCGU-UHFFFAOYSA-N 1 3 187.287 -0.208 20 0 ABADHO CC(C)([NH3+])CC(=O)N1CCCNCC1 82771840 486826388 /nfs/dbraw/zinc/82/63/88/486826388.db2.gz ZMNROTZSVVPJBS-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CN(C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] 82920027 486828386 /nfs/dbraw/zinc/82/83/86/486828386.db2.gz HMIDORGYRFCIOX-BDAKNGLRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+]CCCNC(=O)C(C)(C)N 83340177 486832477 /nfs/dbraw/zinc/83/24/77/486832477.db2.gz FJJUXLZZZVMOGR-UHFFFAOYSA-N 1 3 173.260 -0.551 20 0 ABADHO CC[C@@H](N)C(=O)NCCC[NH2+]C 83340176 486832492 /nfs/dbraw/zinc/83/24/92/486832492.db2.gz YRENGPSPDHQWSL-SSDOTTSWSA-N 1 3 173.260 -0.551 20 0 ABADHO C[NH+](C)CCNC(=O)C1(N)CC1 83340077 486832598 /nfs/dbraw/zinc/83/25/98/486832598.db2.gz MLMLKGTZVWBXIY-UHFFFAOYSA-N 1 3 171.244 -0.845 20 0 ABADHO C[NH+](C)CCCNC(=O)C1(N)CC1 83341077 486833060 /nfs/dbraw/zinc/83/30/60/486833060.db2.gz OCBCIVJSKLXIJA-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO C[NH2+]CCCNC(=O)[C@@H](N)C(C)C 83341313 486833143 /nfs/dbraw/zinc/83/31/43/486833143.db2.gz HMICXMXYBFQSSI-QMMMGPOBSA-N 1 3 187.287 -0.305 20 0 ABADHO CC[C@H](N)C(=O)NCCC[NH2+]C 83340175 486833340 /nfs/dbraw/zinc/83/33/40/486833340.db2.gz YRENGPSPDHQWSL-ZETCQYMHSA-N 1 3 173.260 -0.551 20 0 ABADHO C[C@@H](CC[NH+](C)C)NC(=O)C1(N)CC1 83835556 486842882 /nfs/dbraw/zinc/84/28/82/486842882.db2.gz ZUKOVICIVRYCPO-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH+](C)C(C)(C)CNC(=O)C1(N)CC1 83835329 486843047 /nfs/dbraw/zinc/84/30/47/486843047.db2.gz QLHCMJUBGLBAFD-UHFFFAOYSA-N 1 3 199.298 -0.066 20 0 ABADHO CC(C)[N@H+](C)CCNC(=O)C1(N)CC1 83835885 486843252 /nfs/dbraw/zinc/84/32/52/486843252.db2.gz XFSLLQQUTBCGIX-UHFFFAOYSA-N 1 3 199.298 -0.066 20 0 ABADHO CC(C)[N@@H+](C)CCNC(=O)C1(N)CC1 83835885 486843256 /nfs/dbraw/zinc/84/32/56/486843256.db2.gz XFSLLQQUTBCGIX-UHFFFAOYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H](CNC(=O)C1(N)CC1)[NH+](C)C 83835087 486843355 /nfs/dbraw/zinc/84/33/55/486843355.db2.gz XZALOTNZGLSOCC-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO C[N@H+](CCNC(=O)C1(N)CC1)C1CC1 83835981 486843453 /nfs/dbraw/zinc/84/34/53/486843453.db2.gz FAMNLADDBRRQBI-UHFFFAOYSA-N 1 3 197.282 -0.312 20 0 ABADHO C[N@@H+](CCNC(=O)C1(N)CC1)C1CC1 83835981 486843456 /nfs/dbraw/zinc/84/34/56/486843456.db2.gz FAMNLADDBRRQBI-UHFFFAOYSA-N 1 3 197.282 -0.312 20 0 ABADHO C[NH+](C)CCCCNC(=O)C1(N)CC1 83835717 486843510 /nfs/dbraw/zinc/84/35/10/486843510.db2.gz UZUFZOBWCMDCFE-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@H](CC[NH+](C)C)NC(=O)C1(N)CC1 83835558 486843623 /nfs/dbraw/zinc/84/36/23/486843623.db2.gz ZUKOVICIVRYCPO-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](CNC(=O)C1(N)CC1)[NH+](C)C 83835085 486843763 /nfs/dbraw/zinc/84/37/63/486843763.db2.gz XZALOTNZGLSOCC-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO C[NH+]1CCC(CCNC(=O)CN)CC1 83911654 486848335 /nfs/dbraw/zinc/84/83/35/486848335.db2.gz BHIDRGUTDAVQTC-UHFFFAOYSA-N 1 3 199.298 -0.207 20 0 ABADHO CN(C)CCNC(=O)C[C@@H]1CC[NH2+]C1 84381378 486860026 /nfs/dbraw/zinc/86/00/26/486860026.db2.gz OCTPTRFHYGLMNK-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO C[NH2+]C[C@H](C)C(=O)NCCN(C)C 86064617 486872194 /nfs/dbraw/zinc/87/21/94/486872194.db2.gz CEVAMMRBLKWYNJ-QMMMGPOBSA-N 1 3 187.287 -0.480 20 0 ABADHO C[NH2+]C[C@@H](C)C(=O)NCCN(C)C 86064620 486872534 /nfs/dbraw/zinc/87/25/34/486872534.db2.gz CEVAMMRBLKWYNJ-MRVPVSSYSA-N 1 3 187.287 -0.480 20 0 ABADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C 86270477 486875358 /nfs/dbraw/zinc/87/53/58/486875358.db2.gz SDRIQWQGHVTNAF-RKDXNWHRSA-N 1 3 199.298 -0.338 20 0 ABADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C 86270479 486875636 /nfs/dbraw/zinc/87/56/36/486875636.db2.gz SDRIQWQGHVTNAF-BDAKNGLRSA-N 1 3 199.298 -0.338 20 0 ABADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C 86270478 486875721 /nfs/dbraw/zinc/87/57/21/486875721.db2.gz SDRIQWQGHVTNAF-DTWKUNHWSA-N 1 3 199.298 -0.338 20 0 ABADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C 86270480 486875902 /nfs/dbraw/zinc/87/59/02/486875902.db2.gz SDRIQWQGHVTNAF-IUCAKERBSA-N 1 3 199.298 -0.338 20 0 ABADHO [NH3+][C@H]1CCC[C@@H](NCCO)C1 86402634 486878731 /nfs/dbraw/zinc/87/87/31/486878731.db2.gz RVFIJUMEUAATLI-JGVFFNPUSA-N 1 3 158.245 -0.162 20 0 ABADHO [NH3+][C@@H]1CCC[C@H](NCCO)C1 86402639 486878780 /nfs/dbraw/zinc/87/87/80/486878780.db2.gz RVFIJUMEUAATLI-SFYZADRCSA-N 1 3 158.245 -0.162 20 0 ABADHO [NH3+][C@H]1CCC[C@H](NCCO)C1 86402637 486879024 /nfs/dbraw/zinc/87/90/24/486879024.db2.gz RVFIJUMEUAATLI-YUMQZZPRSA-N 1 3 158.245 -0.162 20 0 ABADHO [NH3+][C@@H]1CCC[C@@H](NCCO)C1 86402636 486879188 /nfs/dbraw/zinc/87/91/88/486879188.db2.gz RVFIJUMEUAATLI-HTQZYQBOSA-N 1 3 158.245 -0.162 20 0 ABADHO [NH3+]CCOCCN1CCCOCC1 86435710 486879899 /nfs/dbraw/zinc/87/98/99/486879899.db2.gz SVIXVMVIPZKZBB-UHFFFAOYSA-N 1 3 188.271 -0.316 20 0 ABADHO COC[C@H](C)N(C)CCOCC[NH3+] 86435510 486879923 /nfs/dbraw/zinc/87/99/23/486879923.db2.gz BVAHWMUXALBQNB-VIFPVBQESA-N 1 3 190.287 -0.072 20 0 ABADHO COC[C@@H](C)N(C)CCOCC[NH3+] 86435511 486880038 /nfs/dbraw/zinc/88/00/38/486880038.db2.gz BVAHWMUXALBQNB-SECBINFHSA-N 1 3 190.287 -0.072 20 0 ABADHO COCCN(C)CCOCC[NH3+] 86435482 486880290 /nfs/dbraw/zinc/88/02/90/486880290.db2.gz OEPRUQCUPDONFM-UHFFFAOYSA-N 1 3 176.260 -0.460 20 0 ABADHO CCN(CC(N)=O)CC1CC[NH2+]CC1 86703103 486884153 /nfs/dbraw/zinc/88/41/53/486884153.db2.gz RHIILGHRPXZXNT-UHFFFAOYSA-N 1 3 199.298 -0.207 20 0 ABADHO CN(C)CCNC(=O)CC1([NH3+])CCC1 86852947 486888174 /nfs/dbraw/zinc/88/81/74/486888174.db2.gz PPDPYVQAMWQIBE-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[C@@H](N)C(=O)N(C)CCC[NH2+]C 87471681 486896043 /nfs/dbraw/zinc/89/60/43/486896043.db2.gz CHQGRWZAMJKWFQ-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO CN[C@@H](C)C(=O)N(C)CCC[NH2+]C 87471763 486896229 /nfs/dbraw/zinc/89/62/29/486896229.db2.gz DXWMQNZKDVRQQV-QMMMGPOBSA-N 1 3 187.287 -0.338 20 0 ABADHO CC[C@H](N)C(=O)N(C)CCC[NH2+]C 87471747 486896261 /nfs/dbraw/zinc/89/62/61/486896261.db2.gz CHQGRWZAMJKWFQ-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO C[NH2+]CCCN(C)C(=O)[C@@H](C)N 87471700 486896300 /nfs/dbraw/zinc/89/63/00/486896300.db2.gz HVUOQLWBYDIZQH-SSDOTTSWSA-N 1 3 173.260 -0.599 20 0 ABADHO CNCC(=O)N(C)CCC[NH2+]C 87471825 486896349 /nfs/dbraw/zinc/89/63/49/486896349.db2.gz PTMAVCIMKKSSGL-UHFFFAOYSA-N 1 3 173.260 -0.726 20 0 ABADHO C[NH2+]CCCN(C)C(=O)CNC1CC1 87471826 486896540 /nfs/dbraw/zinc/89/65/40/486896540.db2.gz ISGWXOJYDAVQNL-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO C[NH2+]CCCN(C)C(=O)[C@H](C)N 87471698 486896661 /nfs/dbraw/zinc/89/66/61/486896661.db2.gz HVUOQLWBYDIZQH-ZETCQYMHSA-N 1 3 173.260 -0.599 20 0 ABADHO C[NH2+]CCCN(C)C(=O)C(C)(C)N 87471620 486896746 /nfs/dbraw/zinc/89/67/46/486896746.db2.gz PXHGNZRGZHXJAC-UHFFFAOYSA-N 1 3 187.287 -0.208 20 0 ABADHO C[NH2+]CCCN(C)C(=O)C1(N)CC1 87471645 486896818 /nfs/dbraw/zinc/89/68/18/486896818.db2.gz VMZXOEQPMXIOGY-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO CCOCCN(C)CCOCC[NH3+] 87977900 486904999 /nfs/dbraw/zinc/90/49/99/486904999.db2.gz JXJYHPMKQQZFCW-UHFFFAOYSA-N 1 3 190.287 -0.070 20 0 ABADHO C[NH2+]CCCN(C)C(=O)C1(N)CCC1 88051579 486907944 /nfs/dbraw/zinc/90/79/44/486907944.db2.gz NFLAVOUXOZVHAR-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@H](CNC(=O)C1(N)CCC1)[NH+](C)C 88050646 486908249 /nfs/dbraw/zinc/90/82/49/486908249.db2.gz WELSRLQLIFRHCZ-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[NH+](C)CCCNC(=O)C1(N)CCC1 88050107 486908298 /nfs/dbraw/zinc/90/82/98/486908298.db2.gz IYHCNYRYBIQMRG-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO C[C@@H](CNC(=O)C1(N)CCC1)[NH+](C)C 88050645 486908693 /nfs/dbraw/zinc/90/86/93/486908693.db2.gz WELSRLQLIFRHCZ-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CN(CCOCC[NH3+])[C@@H]1CCOC1 134716665 486942594 /nfs/dbraw/zinc/94/25/94/486942594.db2.gz ZTRRYOUBQUVJRK-SECBINFHSA-N 1 3 188.271 -0.318 20 0 ABADHO CN(CCOCC[NH3+])[C@H]1CCOC1 134716691 486942845 /nfs/dbraw/zinc/94/28/45/486942845.db2.gz ZTRRYOUBQUVJRK-VIFPVBQESA-N 1 3 188.271 -0.318 20 0 ABADHO CNCC(=O)N[C@H](C)CC[NH3+] 146058797 486951176 /nfs/dbraw/zinc/95/11/76/486951176.db2.gz DVLKVPAZNBDMSB-ZCFIWIBFSA-N 1 3 159.233 -0.941 20 0 ABADHO CNCC(=O)N[C@@H](C)CC[NH3+] 146058574 486951562 /nfs/dbraw/zinc/95/15/62/486951562.db2.gz DVLKVPAZNBDMSB-LURJTMIESA-N 1 3 159.233 -0.941 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H](N)C(C)C 146666865 486951951 /nfs/dbraw/zinc/95/19/51/486951951.db2.gz VZFLSCPTCUNOKT-ZETCQYMHSA-N 1 3 173.260 -0.695 20 0 ABADHO C[C@@H]1C[C@H](NCCC(N)=O)CC[N@@H+]1C 155850829 486961979 /nfs/dbraw/zinc/96/19/79/486961979.db2.gz YJMSESZMXWMPGS-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]1C[C@H](NCCC(N)=O)CC[N@H+]1C 155850829 486961985 /nfs/dbraw/zinc/96/19/85/486961985.db2.gz YJMSESZMXWMPGS-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1C[C@H](NCCC(N)=O)CC[N@@H+]1C 155850932 486962327 /nfs/dbraw/zinc/96/23/27/486962327.db2.gz YJMSESZMXWMPGS-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1C[C@H](NCCC(N)=O)CC[N@H+]1C 155850932 486962331 /nfs/dbraw/zinc/96/23/31/486962331.db2.gz YJMSESZMXWMPGS-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]1C[C@@H](NCCC(N)=O)CC[N@@H+]1C 155851045 486962397 /nfs/dbraw/zinc/96/23/97/486962397.db2.gz YJMSESZMXWMPGS-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H]1C[C@@H](NCCC(N)=O)CC[N@H+]1C 155851045 486962402 /nfs/dbraw/zinc/96/24/02/486962402.db2.gz YJMSESZMXWMPGS-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1C[C@@H](NCCC(N)=O)CC[N@@H+]1C 155851171 486962802 /nfs/dbraw/zinc/96/28/02/486962802.db2.gz YJMSESZMXWMPGS-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]1C[C@@H](NCCC(N)=O)CC[N@H+]1C 155851171 486962807 /nfs/dbraw/zinc/96/28/07/486962807.db2.gz YJMSESZMXWMPGS-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]([NH3+])[C@@H](C)C(=O)NCCN(C)C 164946303 486989203 /nfs/dbraw/zinc/98/92/03/486989203.db2.gz NVRRCPQUHKOLCP-SFYZADRCSA-N 1 3 187.287 -0.353 20 0 ABADHO C[C@H](C(=O)NCCN(C)C)[C@@H](C)[NH3+] 164945968 486989585 /nfs/dbraw/zinc/98/95/85/486989585.db2.gz NVRRCPQUHKOLCP-JGVFFNPUSA-N 1 3 187.287 -0.353 20 0 ABADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN(C)C 164946205 486989656 /nfs/dbraw/zinc/98/96/56/486989656.db2.gz NVRRCPQUHKOLCP-YUMQZZPRSA-N 1 3 187.287 -0.353 20 0 ABADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN(C)C 164946089 486989792 /nfs/dbraw/zinc/98/97/92/486989792.db2.gz NVRRCPQUHKOLCP-HTQZYQBOSA-N 1 3 187.287 -0.353 20 0 ABADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH3+] 194866995 487009645 /nfs/dbraw/zinc/00/96/45/487009645.db2.gz FCBZUWQNSPXRBH-QMMMGPOBSA-N 1 3 187.287 -0.210 20 0 ABADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH3+] 194866979 487009681 /nfs/dbraw/zinc/00/96/81/487009681.db2.gz FCBZUWQNSPXRBH-MRVPVSSYSA-N 1 3 187.287 -0.210 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H](N)C(C)(C)C 220436431 487031143 /nfs/dbraw/zinc/03/11/43/487031143.db2.gz VJYXYWLWMHXTRL-SSDOTTSWSA-N 1 3 187.287 -0.305 20 0 ABADHO C[C@H](C(N)=O)N1CCC[C@@H](CC[NH3+])C1 224290653 487039264 /nfs/dbraw/zinc/03/92/64/487039264.db2.gz HZMLAOURMUMWTE-BDAKNGLRSA-N 1 3 199.298 -0.079 20 0 ABADHO C[C@@H](C(N)=O)N1CCC[C@@H](CC[NH3+])C1 224290600 487039965 /nfs/dbraw/zinc/03/99/65/487039965.db2.gz HZMLAOURMUMWTE-IUCAKERBSA-N 1 3 199.298 -0.079 20 0 ABADHO CNC(=O)CCN(C)C[C@@H]1CC[NH2+]C1 226437693 487051623 /nfs/dbraw/zinc/05/16/23/487051623.db2.gz KPLGXYDAJBKJET-SECBINFHSA-N 1 3 199.298 -0.336 20 0 ABADHO C[C@H](C[NH3+])C(=O)NC[C@H]1CCCN1C 226021446 487045301 /nfs/dbraw/zinc/04/53/01/487045301.db2.gz NVGGXZODHMPDJM-RKDXNWHRSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1C 226077968 487045403 /nfs/dbraw/zinc/04/54/03/487045403.db2.gz INZJDLHOHQRSEE-DTWKUNHWSA-N 1 3 199.298 -0.195 20 0 ABADHO C[C@@H](C[NH3+])C(=O)NC[C@H]1CCCN1C 226021436 487045617 /nfs/dbraw/zinc/04/56/17/487045617.db2.gz NVGGXZODHMPDJM-DTWKUNHWSA-N 1 3 199.298 -0.208 20 0 ABADHO C[NH2+]CCC(=O)NC[C@H]1CCCN1C 226082788 487045838 /nfs/dbraw/zinc/04/58/38/487045838.db2.gz CETQNFIEIWTLAE-SECBINFHSA-N 1 3 199.298 -0.194 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 226398944 487051078 /nfs/dbraw/zinc/05/10/78/487051078.db2.gz NBOZACAYTLWEHT-HTQZYQBOSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 226398944 487051080 /nfs/dbraw/zinc/05/10/80/487051080.db2.gz NBOZACAYTLWEHT-HTQZYQBOSA-N 1 3 199.298 -0.068 20 0 ABADHO CNCC(=O)NC[C@H](C)[N@H+](C)C1CC1 226398927 487051099 /nfs/dbraw/zinc/05/10/99/487051099.db2.gz NYURNVFSSZTJEV-QMMMGPOBSA-N 1 3 199.298 -0.195 20 0 ABADHO CNCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 226398927 487051104 /nfs/dbraw/zinc/05/11/04/487051104.db2.gz NYURNVFSSZTJEV-QMMMGPOBSA-N 1 3 199.298 -0.195 20 0 ABADHO CC[C@H](C)[N@H+](C)CCNC(=O)CN 226397084 487051060 /nfs/dbraw/zinc/05/10/60/487051060.db2.gz ZMNLDTQBMWXPRS-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CN 226397084 487051061 /nfs/dbraw/zinc/05/10/61/487051061.db2.gz ZMNLDTQBMWXPRS-QMMMGPOBSA-N 1 3 187.287 -0.208 20 0 ABADHO C[C@@H](CNC(=O)[C@@H](C)N)[N@H+](C)C1CC1 226398954 487051209 /nfs/dbraw/zinc/05/12/09/487051209.db2.gz NBOZACAYTLWEHT-JGVFFNPUSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](CNC(=O)[C@@H](C)N)[N@@H+](C)C1CC1 226398954 487051212 /nfs/dbraw/zinc/05/12/12/487051212.db2.gz NBOZACAYTLWEHT-JGVFFNPUSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H](CNC(=O)CN)[N@H+](C)C1CC1 226399367 487051250 /nfs/dbraw/zinc/05/12/50/487051250.db2.gz KKDIZPJWMZRDSL-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H](CNC(=O)CN)[N@@H+](C)C1CC1 226399367 487051252 /nfs/dbraw/zinc/05/12/52/487051252.db2.gz KKDIZPJWMZRDSL-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO CNCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 226398921 487051288 /nfs/dbraw/zinc/05/12/88/487051288.db2.gz NYURNVFSSZTJEV-MRVPVSSYSA-N 1 3 199.298 -0.195 20 0 ABADHO CNCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 226398921 487051290 /nfs/dbraw/zinc/05/12/90/487051290.db2.gz NYURNVFSSZTJEV-MRVPVSSYSA-N 1 3 199.298 -0.195 20 0 ABADHO CCC[N@H+](CC)CCNC(=O)CN 226407615 487051314 /nfs/dbraw/zinc/05/13/14/487051314.db2.gz SNZJGZVPQDIXJZ-UHFFFAOYSA-N 1 3 187.287 -0.207 20 0 ABADHO CCC[N@@H+](CC)CCNC(=O)CN 226407615 487051319 /nfs/dbraw/zinc/05/13/19/487051319.db2.gz SNZJGZVPQDIXJZ-UHFFFAOYSA-N 1 3 187.287 -0.207 20 0 ABADHO CNC(=O)CCN(C)C[C@H]1CC[NH2+]C1 226437698 487051354 /nfs/dbraw/zinc/05/13/54/487051354.db2.gz KPLGXYDAJBKJET-VIFPVBQESA-N 1 3 199.298 -0.336 20 0 ABADHO C[C@@H](CNC(=O)CC[NH3+])N(C)C1CC1 226399571 487051371 /nfs/dbraw/zinc/05/13/71/487051371.db2.gz FSZPVJQTSREVGK-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CCN(CCNC(=O)CC[NH3+])C1CC1 226398152 487051447 /nfs/dbraw/zinc/05/14/47/487051447.db2.gz LNLWOTRZEBEBAC-UHFFFAOYSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[N@H+](CCNC(=O)[C@@H](C)N)C1CC1 226397643 487051506 /nfs/dbraw/zinc/05/15/06/487051506.db2.gz ZCPRVEZRTMNZND-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@@H+](CCNC(=O)[C@@H](C)N)C1CC1 226397643 487051511 /nfs/dbraw/zinc/05/15/11/487051511.db2.gz ZCPRVEZRTMNZND-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@H+](CCNC(=O)CNC)C1CC1 226397617 487051525 /nfs/dbraw/zinc/05/15/25/487051525.db2.gz PEQFQNJHKLQCPS-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO CC[N@@H+](CCNC(=O)CNC)C1CC1 226397617 487051529 /nfs/dbraw/zinc/05/15/29/487051529.db2.gz PEQFQNJHKLQCPS-UHFFFAOYSA-N 1 3 199.298 -0.194 20 0 ABADHO C[C@@H](CNC(=O)CN)[N@H+](C)C1CC1 226399361 487051665 /nfs/dbraw/zinc/05/16/65/487051665.db2.gz KKDIZPJWMZRDSL-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@@H](CNC(=O)CN)[N@@H+](C)C1CC1 226399361 487051670 /nfs/dbraw/zinc/05/16/70/487051670.db2.gz KKDIZPJWMZRDSL-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 226398947 487051695 /nfs/dbraw/zinc/05/16/95/487051695.db2.gz NBOZACAYTLWEHT-SFYZADRCSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 226398947 487051698 /nfs/dbraw/zinc/05/16/98/487051698.db2.gz NBOZACAYTLWEHT-SFYZADRCSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[N@H+](CCNC(=O)[C@H](C)N)C1CC1 226397652 487051713 /nfs/dbraw/zinc/05/17/13/487051713.db2.gz ZCPRVEZRTMNZND-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@@H+](CCNC(=O)[C@H](C)N)C1CC1 226397652 487051716 /nfs/dbraw/zinc/05/17/16/487051716.db2.gz ZCPRVEZRTMNZND-QMMMGPOBSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H](CNC(=O)CC[NH3+])N(C)C1CC1 226399577 487051736 /nfs/dbraw/zinc/05/17/36/487051736.db2.gz FSZPVJQTSREVGK-MRVPVSSYSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@H]([NH3+])CC(=O)NC[C@H]1CCCN1C 226394794 487051849 /nfs/dbraw/zinc/05/18/49/487051849.db2.gz NXWXZFLVZQTVDT-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CN 226397077 487051884 /nfs/dbraw/zinc/05/18/84/487051884.db2.gz ZMNLDTQBMWXPRS-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CN 226397077 487051886 /nfs/dbraw/zinc/05/18/86/487051886.db2.gz ZMNLDTQBMWXPRS-MRVPVSSYSA-N 1 3 187.287 -0.208 20 0 ABADHO C[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 226398961 487051961 /nfs/dbraw/zinc/05/19/61/487051961.db2.gz NBOZACAYTLWEHT-YUMQZZPRSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 226398961 487051965 /nfs/dbraw/zinc/05/19/65/487051965.db2.gz NBOZACAYTLWEHT-YUMQZZPRSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H]([NH3+])CC(=O)NC[C@H]1CCCN1C 226394787 487051979 /nfs/dbraw/zinc/05/19/79/487051979.db2.gz NXWXZFLVZQTVDT-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CC[N@H+](CCNC(=O)CN)C1CC1 226397984 487051901 /nfs/dbraw/zinc/05/19/01/487051901.db2.gz UTVAEKTXSYVMSR-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO CC[N@@H+](CCNC(=O)CN)C1CC1 226397984 487051906 /nfs/dbraw/zinc/05/19/06/487051906.db2.gz UTVAEKTXSYVMSR-UHFFFAOYSA-N 1 3 185.271 -0.454 20 0 ABADHO CC[C@H](O)CNC[C@@H](O)C[NH+](C)C 229977097 487071883 /nfs/dbraw/zinc/07/18/83/487071883.db2.gz RJIZTOYXWSHJDQ-DTWKUNHWSA-N 1 3 190.287 -0.731 20 0 ABADHO CC[C@H](O)CNC[C@H](O)C[NH+](C)C 229977102 487071945 /nfs/dbraw/zinc/07/19/45/487071945.db2.gz RJIZTOYXWSHJDQ-IUCAKERBSA-N 1 3 190.287 -0.731 20 0 ABADHO CC[C@@H](O)CNC[C@H](O)C[NH+](C)C 229977100 487072093 /nfs/dbraw/zinc/07/20/93/487072093.db2.gz RJIZTOYXWSHJDQ-BDAKNGLRSA-N 1 3 190.287 -0.731 20 0 ABADHO CC[C@@H](O)CNC[C@@H](O)C[NH+](C)C 229977093 487072432 /nfs/dbraw/zinc/07/24/32/487072432.db2.gz RJIZTOYXWSHJDQ-RKDXNWHRSA-N 1 3 190.287 -0.731 20 0 ABADHO C[NH2+]CCCN1CC[C@@](C)(C(N)=O)C1 230896357 487076343 /nfs/dbraw/zinc/07/63/43/487076343.db2.gz RPMROPFDOJALJQ-SNVBAGLBSA-N 1 3 199.298 -0.207 20 0 ABADHO C[NH2+]CCCN1CC[C@](C)(C(N)=O)C1 230896360 487076830 /nfs/dbraw/zinc/07/68/30/487076830.db2.gz RPMROPFDOJALJQ-JTQLQIEISA-N 1 3 199.298 -0.207 20 0 ABADHO CO[C@H]1CCN(CCOCC[NH3+])C1 234802883 487099683 /nfs/dbraw/zinc/09/96/83/487099683.db2.gz DTAVVHRQUICTFX-VIFPVBQESA-N 1 3 188.271 -0.318 20 0 ABADHO C[C@@H](O)C[NH2+]CCOCCN(C)C 235243876 487102006 /nfs/dbraw/zinc/10/20/06/487102006.db2.gz WUPHXZMLCQJXHH-SECBINFHSA-N 1 3 190.287 -0.465 20 0 ABADHO C[C@H](O)C[NH2+]CCOCCN(C)C 235538267 487106062 /nfs/dbraw/zinc/10/60/62/487106062.db2.gz WUPHXZMLCQJXHH-VIFPVBQESA-N 1 3 190.287 -0.465 20 0 ABADHO C[C@H](O)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 252886031 487128238 /nfs/dbraw/zinc/12/82/38/487128238.db2.gz YSISLFMNNCBFEM-GUBZILKMSA-N 1 3 184.283 -0.092 20 0 ABADHO CC[C@@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 306170025 487150028 /nfs/dbraw/zinc/15/00/28/487150028.db2.gz KJUVLHJYUHBXKC-HRDYMLBCSA-N 1 3 197.282 -0.599 20 0 ABADHO CC[C@H](N)C(=O)N1CC[C@H]([NH3+])C1 306180527 487150936 /nfs/dbraw/zinc/15/09/36/487150936.db2.gz RWCDSRABFYGUNN-BQBZGAKWSA-N 1 3 171.244 -0.717 20 0 ABADHO C[C@@H]1CCN(C(=O)CN)[C@@H](C[NH3+])C1 306449207 487156329 /nfs/dbraw/zinc/15/63/29/487156329.db2.gz ACCUFTXZNHTDSF-HTQZYQBOSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@@H]1CCN(C(=O)CN)[C@H](C[NH3+])C1 306449209 487156360 /nfs/dbraw/zinc/15/63/60/487156360.db2.gz ACCUFTXZNHTDSF-SFYZADRCSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@H]1CCN(C(=O)CN)[C@@H](C[NH3+])C1 306449208 487156505 /nfs/dbraw/zinc/15/65/05/487156505.db2.gz ACCUFTXZNHTDSF-JGVFFNPUSA-N 1 3 185.271 -0.469 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] 306524710 487159883 /nfs/dbraw/zinc/15/98/83/487159883.db2.gz ZSQHFWOCACYTHB-IWSPIJDZSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] 306524711 487159911 /nfs/dbraw/zinc/15/99/11/487159911.db2.gz ZSQHFWOCACYTHB-VGMNWLOBSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] 306524709 487159914 /nfs/dbraw/zinc/15/99/14/487159914.db2.gz ZSQHFWOCACYTHB-HRDYMLBCSA-N 1 3 199.298 -0.033 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] 306524708 487159919 /nfs/dbraw/zinc/15/99/19/487159919.db2.gz ZSQHFWOCACYTHB-HLTSFMKQSA-N 1 3 199.298 -0.033 20 0 ABADHO CC(C)[C@H](N)C(=O)NC1CC[NH2+]CC1 306645287 487163106 /nfs/dbraw/zinc/16/31/06/487163106.db2.gz BEEIGLMEAFMLIZ-VIFPVBQESA-N 1 3 199.298 -0.162 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1C[C@H](C)N[C@H](C)C1 306675860 487164434 /nfs/dbraw/zinc/16/44/34/487164434.db2.gz UNZLKYZLYSNTLH-HRDYMLBCSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 306675861 487164586 /nfs/dbraw/zinc/16/45/86/487164586.db2.gz UNZLKYZLYSNTLH-IWSPIJDZSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 306675862 487164642 /nfs/dbraw/zinc/16/46/42/487164642.db2.gz UNZLKYZLYSNTLH-XHNCKOQMSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](NC(=O)CN)C1CC[NH+](C)CC1 307003158 487171854 /nfs/dbraw/zinc/17/18/54/487171854.db2.gz DBKYEPDKIFOMBD-MRVPVSSYSA-N 1 3 199.298 -0.208 20 0 ABADHO C[C@H](NC(=O)CN)C1CC[NH+](C)CC1 307003159 487172350 /nfs/dbraw/zinc/17/23/50/487172350.db2.gz DBKYEPDKIFOMBD-QMMMGPOBSA-N 1 3 199.298 -0.208 20 0 ABADHO CC(C)(N)C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 307185511 487175309 /nfs/dbraw/zinc/17/53/09/487175309.db2.gz SDDFKDMHPHVSTC-OCAPTIKFSA-N 1 3 197.282 -0.599 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 307189987 487176176 /nfs/dbraw/zinc/17/61/76/487176176.db2.gz YYGSOJGZZTZFQX-YIZRAAEISA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 307189985 487176280 /nfs/dbraw/zinc/17/62/80/487176280.db2.gz YYGSOJGZZTZFQX-DJLDLDEBSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 307189986 487176381 /nfs/dbraw/zinc/17/63/81/487176381.db2.gz YYGSOJGZZTZFQX-XHNCKOQMSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 307189984 487176460 /nfs/dbraw/zinc/17/64/60/487176460.db2.gz YYGSOJGZZTZFQX-CIUDSAMLSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N)CC[NH2+]1 307308032 487178693 /nfs/dbraw/zinc/17/86/93/487178693.db2.gz ZUCLFIUEMNRVRH-HTQZYQBOSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H](NC(=O)[C@@H](C)N)[C@@H]1CCC[NH2+]C1 307307495 487178828 /nfs/dbraw/zinc/17/88/28/487178828.db2.gz YYGSOJGZZTZFQX-HRDYMLBCSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N)CC[NH2+]1 307308036 487178866 /nfs/dbraw/zinc/17/88/66/487178866.db2.gz ZUCLFIUEMNRVRH-YUMQZZPRSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@H]1C[C@H](NC(=O)C(C)(C)N)CC[NH2+]1 307308033 487178915 /nfs/dbraw/zinc/17/89/15/487178915.db2.gz ZUCLFIUEMNRVRH-JGVFFNPUSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 307307493 487179026 /nfs/dbraw/zinc/17/90/26/487179026.db2.gz YYGSOJGZZTZFQX-HLTSFMKQSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N)CC[NH2+]1 307308034 487179112 /nfs/dbraw/zinc/17/91/12/487179112.db2.gz ZUCLFIUEMNRVRH-SFYZADRCSA-N 1 3 199.298 -0.020 20 0 ABADHO C[C@@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 307307498 487179136 /nfs/dbraw/zinc/17/91/36/487179136.db2.gz YYGSOJGZZTZFQX-IWSPIJDZSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@H](NC(=O)[C@@H](C)N)[C@H]1CCC[NH2+]C1 307307500 487179140 /nfs/dbraw/zinc/17/91/40/487179140.db2.gz YYGSOJGZZTZFQX-VGMNWLOBSA-N 1 3 199.298 -0.162 20 0 ABADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 307375273 487180293 /nfs/dbraw/zinc/18/02/93/487180293.db2.gz YZQRAEYOCCGBSU-JGVFFNPUSA-N 1 3 197.282 -0.538 20 0 ABADHO CC1(C)CN[C@H]1C(=O)N[C@H]1CC[NH2+]C1 307375275 487180583 /nfs/dbraw/zinc/18/05/83/487180583.db2.gz YZQRAEYOCCGBSU-YUMQZZPRSA-N 1 3 197.282 -0.538 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C 307508594 487182390 /nfs/dbraw/zinc/18/23/90/487182390.db2.gz JFAOGKVTBXBATF-XHNCKOQMSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C 307508582 487182596 /nfs/dbraw/zinc/18/25/96/487182596.db2.gz JFAOGKVTBXBATF-HRDYMLBCSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C 307508588 487182627 /nfs/dbraw/zinc/18/26/27/487182627.db2.gz JFAOGKVTBXBATF-IWSPIJDZSA-N 1 3 199.298 -0.068 20 0 ABADHO CC[C@@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C 307508576 487182664 /nfs/dbraw/zinc/18/26/64/487182664.db2.gz JFAOGKVTBXBATF-DJLDLDEBSA-N 1 3 199.298 -0.068 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 307556783 487183612 /nfs/dbraw/zinc/18/36/12/487183612.db2.gz URCUZRFMEUTJMK-IWSPIJDZSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 307556781 487183631 /nfs/dbraw/zinc/18/36/31/487183631.db2.gz URCUZRFMEUTJMK-HRDYMLBCSA-N 1 3 197.282 -0.456 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 307556779 487183634 /nfs/dbraw/zinc/18/36/34/487183634.db2.gz URCUZRFMEUTJMK-HLTSFMKQSA-N 1 3 197.282 -0.456 20 0 ABADHO CNCC(=O)N[C@H]1CCC[NH2+]C1 307561128 487183667 /nfs/dbraw/zinc/18/36/67/487183667.db2.gz IOSYVNSWGVHPJK-ZETCQYMHSA-N 1 3 171.244 -0.926 20 0 ABADHO C[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 307556785 487183713 /nfs/dbraw/zinc/18/37/13/487183713.db2.gz URCUZRFMEUTJMK-VGMNWLOBSA-N 1 3 197.282 -0.456 20 0 ABADHO CN(C(=O)C1(N)CC1)[C@H]1CC[NH2+]C1 307694918 487188093 /nfs/dbraw/zinc/18/80/93/487188093.db2.gz YJFZBCWBYDFZQA-ZETCQYMHSA-N 1 3 183.255 -0.702 20 0 ABADHO CN(C(=O)C1(N)CC1)[C@@H]1CC[NH2+]C1 307694917 487188185 /nfs/dbraw/zinc/18/81/85/487188185.db2.gz YJFZBCWBYDFZQA-SSDOTTSWSA-N 1 3 183.255 -0.702 20 0 ABADHO CC[C@H](N)C(=O)N[C@H](C)C[NH3+] 307700340 487188446 /nfs/dbraw/zinc/18/84/46/487188446.db2.gz LWPGRZCZEGTXCV-RITPCOANSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1NC(=O)[C@@H](C)N 307722226 487189521 /nfs/dbraw/zinc/18/95/21/487189521.db2.gz RXQTWMARLITQEQ-HXFLIBJXSA-N 1 3 199.298 -0.164 20 0 ABADHO C[NH2+][C@@H]1CCCN(C(=O)C2(N)CC2)C1 307725401 487189534 /nfs/dbraw/zinc/18/95/34/487189534.db2.gz AZCQOQUERLZBPY-MRVPVSSYSA-N 1 3 197.282 -0.312 20 0 ABADHO C[C@@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C 307722225 487189580 /nfs/dbraw/zinc/18/95/80/487189580.db2.gz RXQTWMARLITQEQ-FNCVBFRFSA-N 1 3 199.298 -0.164 20 0 ABADHO CC1(CNC(=O)CN)CC[NH2+]CC1 307725890 487189596 /nfs/dbraw/zinc/18/95/96/487189596.db2.gz BSDBBMUFSXRMPC-UHFFFAOYSA-N 1 3 185.271 -0.549 20 0 ABADHO C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1NC(=O)[C@@H](C)N 307722227 487189613 /nfs/dbraw/zinc/18/96/13/487189613.db2.gz RXQTWMARLITQEQ-LURQLKTLSA-N 1 3 199.298 -0.164 20 0 ABADHO C[NH2+][C@H]1CCCN(C(=O)C2(N)CC2)C1 307725403 487189637 /nfs/dbraw/zinc/18/96/37/487189637.db2.gz AZCQOQUERLZBPY-QMMMGPOBSA-N 1 3 197.282 -0.312 20 0 ABADHO C[C@@H](N)C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C 307722224 487189650 /nfs/dbraw/zinc/18/96/50/487189650.db2.gz RXQTWMARLITQEQ-BGZDPUMWSA-N 1 3 199.298 -0.164 20 0 ABADHO [NH3+]CCNC1(CO)CCCC1 307722512 487189692 /nfs/dbraw/zinc/18/96/92/487189692.db2.gz YNTWFFACDYYDRZ-UHFFFAOYSA-N 1 3 158.245 -0.160 20 0 ABADHO NC1(C(=O)NCC2([NH3+])CCC2)CC1 307722235 487189812 /nfs/dbraw/zinc/18/98/12/487189812.db2.gz RZMBVHYJFQSKIU-UHFFFAOYSA-N 1 3 183.255 -0.525 20 0 ABADHO CNCC(=O)NCC(C)(C)[NH3+] 307731278 487190102 /nfs/dbraw/zinc/19/01/02/487190102.db2.gz MSFGVDWOVWVLIF-UHFFFAOYSA-N 1 3 159.233 -0.941 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@@H](C)[NH3+] 307733553 487190154 /nfs/dbraw/zinc/19/01/54/487190154.db2.gz SBLUDUYLRYSKBJ-PHDIDXHHSA-N 1 3 159.233 -0.813 20 0 ABADHO CC[C@@H](N)C(=O)NC[C@H](C)[NH3+] 307733549 487190169 /nfs/dbraw/zinc/19/01/69/487190169.db2.gz SBLUDUYLRYSKBJ-NTSWFWBYSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@H](N)C(=O)N(C)[C@@H](C)C[NH3+] 307733913 487190326 /nfs/dbraw/zinc/19/03/26/487190326.db2.gz UCYLYUBURATCSX-WDSKDSINSA-N 1 3 159.233 -0.861 20 0 ABADHO C[C@@H](CC[NH3+])NC(=O)[C@@H](C)N 307726480 487190337 /nfs/dbraw/zinc/19/03/37/487190337.db2.gz DEILMRPONGHTKJ-NTSWFWBYSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@H](CC[NH3+])NC(=O)[C@@H](C)N 307726481 487190354 /nfs/dbraw/zinc/19/03/54/487190354.db2.gz DEILMRPONGHTKJ-PHDIDXHHSA-N 1 3 159.233 -0.813 20 0 ABADHO C[C@H](N)C(=O)N(C)[C@H](C)C[NH3+] 307733911 487190442 /nfs/dbraw/zinc/19/04/42/487190442.db2.gz UCYLYUBURATCSX-RITPCOANSA-N 1 3 159.233 -0.861 20 0 ABADHO CNCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 307759180 487190851 /nfs/dbraw/zinc/19/08/51/487190851.db2.gz QREVXKCVAHGIPR-BDAKNGLRSA-N 1 3 197.282 -0.441 20 0 ABADHO C[C@@H](C[NH3+])N(C)C(=O)[C@@H](C)N 307759828 487191361 /nfs/dbraw/zinc/19/13/61/487191361.db2.gz UCYLYUBURATCSX-NTSWFWBYSA-N 1 3 159.233 -0.861 20 0 ABADHO C[C@@H](N)C(=O)N(C)[C@H](C)C[NH3+] 307759829 487191819 /nfs/dbraw/zinc/19/18/19/487191819.db2.gz UCYLYUBURATCSX-PHDIDXHHSA-N 1 3 159.233 -0.861 20 0 ABADHO NCC(=O)N[C@H](C[NH3+])C1CCCCC1 309081235 487208295 /nfs/dbraw/zinc/20/82/95/487208295.db2.gz PWXJZWJABXQTRR-SECBINFHSA-N 1 3 199.298 -0.031 20 0 ABADHO CN(CCC[NH3+])C(=O)[C@H]1CCCCN1 309101077 487208335 /nfs/dbraw/zinc/20/83/35/487208335.db2.gz FSKMQZNIAFCFFM-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO CC[NH2+]CCNC(=O)[C@@H]1CCCCN1 308869630 487208384 /nfs/dbraw/zinc/20/83/84/487208384.db2.gz IMZHJHJAURGTOV-VIFPVBQESA-N 1 3 199.298 -0.146 20 0 ABADHO CC[NH2+]CCNC(=O)[C@H]1CCCCN1 308869629 487208438 /nfs/dbraw/zinc/20/84/38/487208438.db2.gz IMZHJHJAURGTOV-SECBINFHSA-N 1 3 199.298 -0.146 20 0 ABADHO CC(C)[C@H]1CN(C(=O)CC[NH3+])CCN1 309005015 487208444 /nfs/dbraw/zinc/20/84/44/487208444.db2.gz PMOUSLFSQMBERS-SECBINFHSA-N 1 3 199.298 -0.208 20 0 ABADHO NCC(=O)N[C@@H](C[NH3+])C1CCCCC1 309081236 487208513 /nfs/dbraw/zinc/20/85/13/487208513.db2.gz PWXJZWJABXQTRR-VIFPVBQESA-N 1 3 199.298 -0.031 20 0 ABADHO CNCC(=O)NC(C)(C)CCC[NH3+] 378848238 487237010 /nfs/dbraw/zinc/23/70/10/487237010.db2.gz BNERKLAZYVCGMZ-UHFFFAOYSA-N 1 3 187.287 -0.161 20 0 ABADHO CNCC(=O)N(C)[C@@H]1CC[NH2+]C1 379370647 487240106 /nfs/dbraw/zinc/24/01/06/487240106.db2.gz GNGFEHJMBKMQTJ-SSDOTTSWSA-N 1 3 171.244 -0.974 20 0 ABADHO CNCC(=O)N(C)[C@H]1CC[NH2+]C1 379370649 487240190 /nfs/dbraw/zinc/24/01/90/487240190.db2.gz GNGFEHJMBKMQTJ-ZETCQYMHSA-N 1 3 171.244 -0.974 20 0 ABADHO C[C@](C[NH3+])(NC(=O)CN)C1CC1 379370954 487240328 /nfs/dbraw/zinc/24/03/28/487240328.db2.gz GZMLNFFOXCKEEY-MRVPVSSYSA-N 1 3 171.244 -0.811 20 0 ABADHO C[C@@](C[NH3+])(NC(=O)CN)C1CC1 379370955 487240406 /nfs/dbraw/zinc/24/04/06/487240406.db2.gz GZMLNFFOXCKEEY-QMMMGPOBSA-N 1 3 171.244 -0.811 20 0 ABADHO CCC[NH2+]CCNC(=O)CNC 379370528 487240495 /nfs/dbraw/zinc/24/04/95/487240495.db2.gz GKCSFOPOUBZOPY-UHFFFAOYSA-N 1 3 173.260 -0.678 20 0 ABADHO C[NH2+]CCNC(=O)CNC1CC1 379372316 487240609 /nfs/dbraw/zinc/24/06/09/487240609.db2.gz JGOLCKVBOASDRL-UHFFFAOYSA-N 1 3 171.244 -0.926 20 0 ABADHO CNCC(=O)NCC1([NH3+])CCCCC1 380265142 487248236 /nfs/dbraw/zinc/24/82/36/487248236.db2.gz SZDIWUPHXAXFDE-UHFFFAOYSA-N 1 3 199.298 -0.016 20 0 ABADHO CN(C)CCNC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 380160491 487248546 /nfs/dbraw/zinc/24/85/46/487248546.db2.gz BBHLUBGJFBTZKI-BRPSZJMVSA-N 1 3 197.282 -0.870 20 0 ABADHO CCCN1CC[C@H](NC(=O)CC[NH3+])C1 389156736 487262246 /nfs/dbraw/zinc/26/22/46/487262246.db2.gz KVGLHZCMVQIMCQ-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO CCCN1CC[C@@H](NC(=O)CC[NH3+])C1 389156733 487262428 /nfs/dbraw/zinc/26/24/28/487262428.db2.gz KVGLHZCMVQIMCQ-SECBINFHSA-N 1 3 199.298 -0.064 20 0 ABADHO C[NH2+]CC(=O)N1CCN[C@@H](C(C)C)C1 389898578 487263965 /nfs/dbraw/zinc/26/39/65/487263965.db2.gz BMCWSFNWRPQGEN-SECBINFHSA-N 1 3 199.298 -0.338 20 0 ABADHO CN(CCC[NH3+])C(=O)[C@@H]1CCCCN1 389578491 487264044 /nfs/dbraw/zinc/26/40/44/487264044.db2.gz FSKMQZNIAFCFFM-VIFPVBQESA-N 1 3 199.298 -0.064 20 0 ABADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N)C1 389421867 487264138 /nfs/dbraw/zinc/26/41/38/487264138.db2.gz VPUNXATYLGDDMB-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N)C1 389421867 487264140 /nfs/dbraw/zinc/26/41/40/487264140.db2.gz VPUNXATYLGDDMB-IUCAKERBSA-N 1 3 199.298 -0.066 20 0 ABADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N)C1 389421865 487264148 /nfs/dbraw/zinc/26/41/48/487264148.db2.gz VPUNXATYLGDDMB-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N)C1 389421865 487264151 /nfs/dbraw/zinc/26/41/51/487264151.db2.gz VPUNXATYLGDDMB-BDAKNGLRSA-N 1 3 199.298 -0.066 20 0 ABADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N)C1 389421866 487264167 /nfs/dbraw/zinc/26/41/67/487264167.db2.gz VPUNXATYLGDDMB-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N)C1 389421866 487264169 /nfs/dbraw/zinc/26/41/69/487264169.db2.gz VPUNXATYLGDDMB-DTWKUNHWSA-N 1 3 199.298 -0.066 20 0 ABADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N)C1 389421868 487264453 /nfs/dbraw/zinc/26/44/53/487264453.db2.gz VPUNXATYLGDDMB-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N)C1 389421868 487264456 /nfs/dbraw/zinc/26/44/56/487264456.db2.gz VPUNXATYLGDDMB-RKDXNWHRSA-N 1 3 199.298 -0.066 20 0 ABADHO C[C@@H](C[NH3+])N(C)C(=O)CNC1CC1 393655985 487267313 /nfs/dbraw/zinc/26/73/13/487267313.db2.gz HMKPHJKNACBNCL-ZETCQYMHSA-N 1 3 185.271 -0.456 20 0 ABADHO C[C@H](C[NH3+])N(C)C(=O)CNC1CC1 393655984 487267409 /nfs/dbraw/zinc/26/74/09/487267409.db2.gz HMKPHJKNACBNCL-SSDOTTSWSA-N 1 3 185.271 -0.456 20 0 ABADHO [NH3+]C1(CNC(=O)CNC2CC2)CCC1 393621383 487267562 /nfs/dbraw/zinc/26/75/62/487267562.db2.gz SXIKTBKBTKXHRH-UHFFFAOYSA-N 1 3 197.282 -0.264 20 0 ABADHO CC[NH2+][C@H](C)CNC(=O)CNC1CC1 393643114 487267586 /nfs/dbraw/zinc/26/75/86/487267586.db2.gz CMDLCVAAMMHYLV-MRVPVSSYSA-N 1 3 199.298 -0.147 20 0 ABADHO CNCC(=O)N1CCC[C@H]1C[NH2+]C 393656774 487267673 /nfs/dbraw/zinc/26/76/73/487267673.db2.gz KOCKHXJKMANWKM-QMMMGPOBSA-N 1 3 185.271 -0.584 20 0 ABADHO CNCC(=O)N1CCC[C@@H]1C[NH2+]C 393656773 487267692 /nfs/dbraw/zinc/26/76/92/487267692.db2.gz KOCKHXJKMANWKM-MRVPVSSYSA-N 1 3 185.271 -0.584 20 0 ABADHO CNCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C 393674949 487268209 /nfs/dbraw/zinc/26/82/09/487268209.db2.gz UAZPGIWRACYIIG-HTQZYQBOSA-N 1 3 185.271 -0.599 20 0 ABADHO CNCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C 393674956 487268283 /nfs/dbraw/zinc/26/82/83/487268283.db2.gz UAZPGIWRACYIIG-JGVFFNPUSA-N 1 3 185.271 -0.599 20 0 ABADHO CNCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C 393674960 487268291 /nfs/dbraw/zinc/26/82/91/487268291.db2.gz UAZPGIWRACYIIG-YUMQZZPRSA-N 1 3 185.271 -0.599 20 0 ABADHO CNCC(=O)N1C[C@H](C[NH3+])C[C@H]1C 393674958 487268550 /nfs/dbraw/zinc/26/85/50/487268550.db2.gz UAZPGIWRACYIIG-SFYZADRCSA-N 1 3 185.271 -0.599 20 0 ABADHO C[C@H]1CCN[C@@H](C(=O)N[C@H](C)C[NH3+])C1 669514019 487373626 /nfs/dbraw/zinc/37/36/26/487373626.db2.gz WYNSCMYCYNJURP-DJLDLDEBSA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H]1C[C@@H](C)CCN1 669510356 487373653 /nfs/dbraw/zinc/37/36/53/487373653.db2.gz MWLAXQOJBCSRIW-IUCAKERBSA-N 1 3 199.298 -0.290 20 0 ABADHO C[C@@H]1CCN[C@@H](C(=O)N[C@H](C)C[NH3+])C1 669514021 487373688 /nfs/dbraw/zinc/37/36/88/487373688.db2.gz WYNSCMYCYNJURP-IWSPIJDZSA-N 1 3 199.298 -0.162 20 0 ABADHO C[C@@H]1CCN[C@H](C(=O)N[C@H](C)C[NH3+])C1 669514020 487373733 /nfs/dbraw/zinc/37/37/33/487373733.db2.gz WYNSCMYCYNJURP-HLTSFMKQSA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+]CCNC(=O)[C@@H]1C[C@H](C)CCN1 669510354 487373873 /nfs/dbraw/zinc/37/38/73/487373873.db2.gz MWLAXQOJBCSRIW-BDAKNGLRSA-N 1 3 199.298 -0.290 20 0 ABADHO C[NH2+]CCNC(=O)[C@H]1C[C@H](C)CCN1 669510357 487373902 /nfs/dbraw/zinc/37/39/02/487373902.db2.gz MWLAXQOJBCSRIW-RKDXNWHRSA-N 1 3 199.298 -0.290 20 0 ABADHO C[C@H]1CCN[C@H](C(=O)N[C@H](C)C[NH3+])C1 669514022 487373927 /nfs/dbraw/zinc/37/39/27/487373927.db2.gz WYNSCMYCYNJURP-YIZRAAEISA-N 1 3 199.298 -0.162 20 0 ABADHO C[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CCN1 669510355 487373980 /nfs/dbraw/zinc/37/39/80/487373980.db2.gz MWLAXQOJBCSRIW-DTWKUNHWSA-N 1 3 199.298 -0.290 20 0 ABADHO