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244.169 -0.513 20 0 BBADRM CCCNS(=O)(=O)NCCC(=O)[O-] ZINC000160272607 169271275 /nfs/dbraw/zinc/27/12/75/169271275.db2.gz CBMKTDJOXUHAHP-UHFFFAOYSA-N -1 0 210.255 -0.705 20 0 BBADRM CC(C)NS(=O)(=O)NCCC(=O)[O-] ZINC000160272911 167124987 /nfs/dbraw/zinc/12/49/87/167124987.db2.gz RNKPKGYVYQJAQU-UHFFFAOYSA-N -1 0 210.255 -0.707 20 0 BBADRM CCCNS(=O)(=O)N(C)CC(=O)[O-] ZINC000160273311 169270788 /nfs/dbraw/zinc/27/07/88/169270788.db2.gz NFMAAMIPQHKJBU-UHFFFAOYSA-N -1 0 210.255 -0.753 20 0 BBADRM CC(C)NS(=O)(=O)N(C)CC(=O)[O-] ZINC000160273642 605424619 /nfs/dbraw/zinc/42/46/19/605424619.db2.gz JWYRHCMACPNLBG-UHFFFAOYSA-N -1 0 210.255 -0.754 20 0 BBADRM CCCNS(=O)(=O)NCCCC(=O)[O-] ZINC000160273943 169271616 /nfs/dbraw/zinc/27/16/16/169271616.db2.gz AHVUQIFJSYNHOB-UHFFFAOYSA-N -1 0 224.282 -0.315 20 0 BBADRM CC(C)NS(=O)(=O)NCCCC(=O)[O-] ZINC000160274357 167125894 /nfs/dbraw/zinc/12/58/94/167125894.db2.gz SFDUBNGOYHMDFY-UHFFFAOYSA-N -1 0 224.282 -0.316 20 0 BBADRM CNS(=O)(=O)NCCCCCC(=O)[O-] ZINC000160274903 388056720 /nfs/dbraw/zinc/05/67/20/388056720.db2.gz DWLCRVVVLGFWFK-UHFFFAOYSA-N -1 0 224.282 -0.315 20 0 BBADRM CNS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000160280353 711806732 /nfs/dbraw/zinc/80/67/32/711806732.db2.gz WOLVPWXBPAGYGI-LURJTMIESA-N -1 0 224.282 -0.461 20 0 BBADRM CNS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000160280460 711806566 /nfs/dbraw/zinc/80/65/66/711806566.db2.gz WOLVPWXBPAGYGI-ZCFIWIBFSA-N -1 0 224.282 -0.461 20 0 BBADRM CCCNS(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000160281926 169272448 /nfs/dbraw/zinc/27/24/48/169272448.db2.gz DKAPWNZUVHZSEY-ZETCQYMHSA-N -1 0 238.309 -0.070 20 0 BBADRM CCCNS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000160282051 169271318 /nfs/dbraw/zinc/27/13/18/169271318.db2.gz DKAPWNZUVHZSEY-SSDOTTSWSA-N -1 0 238.309 -0.070 20 0 BBADRM CC(C)[C@H](NS(=O)(=O)NC1CC1)C(=O)[O-] ZINC000160282216 323064715 /nfs/dbraw/zinc/06/47/15/323064715.db2.gz AZMXFCWCBCBYRN-ZETCQYMHSA-N -1 0 236.293 -0.318 20 0 BBADRM CC(C)[C@@H](NS(=O)(=O)NC1CC1)C(=O)[O-] ZINC000160282334 323064686 /nfs/dbraw/zinc/06/46/86/323064686.db2.gz AZMXFCWCBCBYRN-SSDOTTSWSA-N -1 0 236.293 -0.318 20 0 BBADRM CC(C)NS(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000160282479 167128432 /nfs/dbraw/zinc/12/84/32/167128432.db2.gz LLWFIKPVYBVQIW-ZETCQYMHSA-N -1 0 238.309 -0.072 20 0 BBADRM CC(C)NS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000160282598 167128565 /nfs/dbraw/zinc/12/85/65/167128565.db2.gz LLWFIKPVYBVQIW-SSDOTTSWSA-N -1 0 238.309 -0.072 20 0 BBADRM CCCNS(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000160283267 169272228 /nfs/dbraw/zinc/27/22/28/169272228.db2.gz YLLBKCXNAUJEOP-RXMQYKEDSA-N -1 0 210.255 -0.707 20 0 BBADRM C[C@H](NS(=O)(=O)NC1CC1)C(=O)[O-] ZINC000160283675 323064704 /nfs/dbraw/zinc/06/47/04/323064704.db2.gz XGCHHUXLWDMOOW-BYPYZUCNSA-N -1 0 208.239 -0.954 20 0 BBADRM C[C@@H](NS(=O)(=O)NC1CC1)C(=O)[O-] ZINC000160283793 324138347 /nfs/dbraw/zinc/13/83/47/324138347.db2.gz XGCHHUXLWDMOOW-SCSAIBSYSA-N -1 0 208.239 -0.954 20 0 BBADRM CC[C@H](C)[C@H](NS(=O)(=O)NC)C(=O)[O-] ZINC000160284916 711806384 /nfs/dbraw/zinc/80/63/84/711806384.db2.gz WVJLIFYAZTUDCI-WDSKDSINSA-N -1 0 224.282 -0.461 20 0 BBADRM CCNS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000160286484 597396499 /nfs/dbraw/zinc/39/64/99/597396499.db2.gz VYHJOGJPNWPICM-BQBZGAKWSA-N -1 0 238.309 -0.070 20 0 BBADRM CNS(=O)(=O)NC1(C(=O)[O-])CCCCC1 ZINC000160292892 711474595 /nfs/dbraw/zinc/47/45/95/711474595.db2.gz YEAYVDMJFJYHCT-UHFFFAOYSA-N -1 0 236.293 -0.172 20 0 BBADRM CNS(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC000160296055 343203601 /nfs/dbraw/zinc/20/36/01/343203601.db2.gz GCEIMACTQBHURK-UHFFFAOYSA-N -1 0 222.266 -0.562 20 0 BBADRM CCCNS(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC000160298137 384675824 /nfs/dbraw/zinc/67/58/24/384675824.db2.gz PHFMIKPOQFKHOJ-LURJTMIESA-N -1 0 224.282 -0.316 20 0 BBADRM CCCNS(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC000160298281 535177696 /nfs/dbraw/zinc/17/76/96/535177696.db2.gz PHFMIKPOQFKHOJ-ZCFIWIBFSA-N -1 0 224.282 -0.316 20 0 BBADRM CC(C)NS(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC000160298932 134847087 /nfs/dbraw/zinc/84/70/87/134847087.db2.gz JNDSBSKEXZPCET-LURJTMIESA-N -1 0 224.282 -0.318 20 0 BBADRM CC(C)NS(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC000160299050 384676875 /nfs/dbraw/zinc/67/68/75/384676875.db2.gz JNDSBSKEXZPCET-ZCFIWIBFSA-N -1 0 224.282 -0.318 20 0 BBADRM CCNS(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000160300944 600578241 /nfs/dbraw/zinc/57/82/41/600578241.db2.gz LZGHKIATUUOKSX-LURJTMIESA-N -1 0 238.309 -0.070 20 0 BBADRM CCNS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000160301068 600589333 /nfs/dbraw/zinc/58/93/33/600589333.db2.gz LZGHKIATUUOKSX-ZCFIWIBFSA-N -1 0 238.309 -0.070 20 0 BBADRM CCCNS(=O)(=O)N[C@H](CC)C(=O)[O-] ZINC000160301342 346360208 /nfs/dbraw/zinc/36/02/08/346360208.db2.gz FWXVJSLHQRQOSQ-ZCFIWIBFSA-N -1 0 224.282 -0.316 20 0 BBADRM CC[C@H](NS(=O)(=O)NC(C)C)C(=O)[O-] ZINC000160302047 488122313 /nfs/dbraw/zinc/12/23/13/488122313.db2.gz GQVGZDZGXBOYIT-LURJTMIESA-N -1 0 224.282 -0.318 20 0 BBADRM CC[C@@H](NS(=O)(=O)NC(C)C)C(=O)[O-] ZINC000160302194 343203581 /nfs/dbraw/zinc/20/35/81/343203581.db2.gz GQVGZDZGXBOYIT-ZCFIWIBFSA-N -1 0 224.282 -0.318 20 0 BBADRM CNS(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC000160307334 488122338 /nfs/dbraw/zinc/12/23/38/488122338.db2.gz JIDHSYPYCDQBSZ-UHFFFAOYSA-N -1 0 222.266 -0.753 20 0 BBADRM O=C([O-])CN(CC1CC1)S(=O)(=O)NC1CC1 ZINC000160307498 488121813 /nfs/dbraw/zinc/12/18/13/488121813.db2.gz CVCVGHGZNATHLH-UHFFFAOYSA-N -1 0 248.304 -0.220 20 0 BBADRM CCNS(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC000160307818 488122178 /nfs/dbraw/zinc/12/21/78/488122178.db2.gz BLBLTHCWZVYRFB-UHFFFAOYSA-N -1 0 236.293 -0.363 20 0 BBADRM CNS(=O)(=O)NC1CCC(C(=O)[O-])CC1 ZINC000160307964 711806461 /nfs/dbraw/zinc/80/64/61/711806461.db2.gz XZEXABYWDFWPFD-UHFFFAOYSA-N -1 0 236.293 -0.316 20 0 BBADRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)NC ZINC000160309253 388057988 /nfs/dbraw/zinc/05/79/88/388057988.db2.gz YYHSJJSOIIMIOE-ZCFIWIBFSA-N -1 0 224.282 -0.364 20 0 BBADRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)NC ZINC000160309370 136214619 /nfs/dbraw/zinc/21/46/19/136214619.db2.gz YYHSJJSOIIMIOE-LURJTMIESA-N -1 0 224.282 -0.364 20 0 BBADRM CC(C)NS(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC000160312877 605436974 /nfs/dbraw/zinc/43/69/74/605436974.db2.gz AKAGDMCLRUTZGJ-UHFFFAOYSA-N -1 0 236.293 -0.222 20 0 BBADRM CCNS(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC000160313077 601402674 /nfs/dbraw/zinc/40/26/74/601402674.db2.gz FLYGNVSKTYIBNU-UHFFFAOYSA-N -1 0 222.266 -0.610 20 0 BBADRM CCNS(=O)(=O)N(CC)CCC(=O)[O-] ZINC000160315490 600225972 /nfs/dbraw/zinc/22/59/72/600225972.db2.gz KTVGGNONYNEGII-UHFFFAOYSA-N -1 0 224.282 -0.363 20 0 BBADRM CNS(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000160315797 711806742 /nfs/dbraw/zinc/80/67/42/711806742.db2.gz GAYYSHKDWOQJHZ-SSDOTTSWSA-N -1 0 236.293 -0.220 20 0 BBADRM CNS(=O)(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000160315943 711479435 /nfs/dbraw/zinc/47/94/35/711479435.db2.gz GAYYSHKDWOQJHZ-ZETCQYMHSA-N -1 0 236.293 -0.220 20 0 BBADRM CC(C)NS(=O)(=O)NC(C)(C)C(=O)[O-] ZINC000160321074 605424449 /nfs/dbraw/zinc/42/44/49/605424449.db2.gz UTBUVJQXLYMVJL-UHFFFAOYSA-N -1 0 224.282 -0.318 20 0 BBADRM CCNS(=O)(=O)NC(C)(C)C(=O)[O-] ZINC000160321209 600222669 /nfs/dbraw/zinc/22/26/69/600222669.db2.gz ZGNFMZLXFQMVCN-UHFFFAOYSA-N -1 0 210.255 -0.707 20 0 BBADRM CCNS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000160323940 604516007 /nfs/dbraw/zinc/51/60/07/604516007.db2.gz KHSBKCBQOJDMHH-SSDOTTSWSA-N -1 0 236.293 -0.220 20 0 BBADRM CCNS(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000160324071 604515848 /nfs/dbraw/zinc/51/58/48/604515848.db2.gz KHSBKCBQOJDMHH-ZETCQYMHSA-N -1 0 236.293 -0.220 20 0 BBADRM CCCNS(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000160325321 169270597 /nfs/dbraw/zinc/27/05/97/169270597.db2.gz SQLFWWWNKNSVLO-SSDOTTSWSA-N -1 0 238.309 -0.117 20 0 BBADRM CCCNS(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000160325429 169270920 /nfs/dbraw/zinc/27/09/20/169270920.db2.gz SQLFWWWNKNSVLO-ZETCQYMHSA-N -1 0 238.309 -0.117 20 0 BBADRM CNS(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000160325632 711806494 /nfs/dbraw/zinc/80/64/94/711806494.db2.gz MCGSQJIQIRCDSS-YFKPBYRVSA-N -1 0 210.255 -0.897 20 0 BBADRM CNS(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000160325718 711806519 /nfs/dbraw/zinc/80/65/19/711806519.db2.gz MCGSQJIQIRCDSS-RXMQYKEDSA-N -1 0 210.255 -0.897 20 0 BBADRM CC(C)NS(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000160325943 605424210 /nfs/dbraw/zinc/42/42/10/605424210.db2.gz UFDJBHVNXQQMBV-SSDOTTSWSA-N -1 0 238.309 -0.118 20 0 BBADRM CC(C)NS(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000160326103 605424124 /nfs/dbraw/zinc/42/41/24/605424124.db2.gz UFDJBHVNXQQMBV-ZETCQYMHSA-N -1 0 238.309 -0.118 20 0 BBADRM CCNS(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000160326284 600223583 /nfs/dbraw/zinc/22/35/83/600223583.db2.gz DWQKIWCXALSJAF-ZCFIWIBFSA-N -1 0 224.282 -0.507 20 0 BBADRM CCNS(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000160326435 600223482 /nfs/dbraw/zinc/22/34/82/600223482.db2.gz DWQKIWCXALSJAF-LURJTMIESA-N -1 0 224.282 -0.507 20 0 BBADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)NC ZINC000160329976 488123480 /nfs/dbraw/zinc/12/34/80/488123480.db2.gz XAAGRGNPTFJUDF-YFKPBYRVSA-N -1 0 210.255 -0.754 20 0 BBADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)NC ZINC000160330102 488123042 /nfs/dbraw/zinc/12/30/42/488123042.db2.gz XAAGRGNPTFJUDF-RXMQYKEDSA-N -1 0 210.255 -0.754 20 0 BBADRM CCNS(=O)(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000160330543 488123036 /nfs/dbraw/zinc/12/30/36/488123036.db2.gz JVANDVLHRNRTRU-LURJTMIESA-N -1 0 224.282 -0.364 20 0 BBADRM CCNS(=O)(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000160330664 487555913 /nfs/dbraw/zinc/55/59/13/487555913.db2.gz JVANDVLHRNRTRU-ZCFIWIBFSA-N -1 0 224.282 -0.364 20 0 BBADRM CC(C)NS(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000160334687 167123878 /nfs/dbraw/zinc/12/38/78/167123878.db2.gz WWVCEHQVCHCOTK-LURJTMIESA-N -1 0 224.282 -0.366 20 0 BBADRM CC(C)NS(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000160334857 167122571 /nfs/dbraw/zinc/12/25/71/167122571.db2.gz WWVCEHQVCHCOTK-ZCFIWIBFSA-N -1 0 224.282 -0.366 20 0 BBADRM CNS(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000160335333 711806568 /nfs/dbraw/zinc/80/65/68/711806568.db2.gz NJQBLELZEOMEEC-SSDOTTSWSA-N -1 0 236.293 -0.363 20 0 BBADRM CNS(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000160335489 711806419 /nfs/dbraw/zinc/80/64/19/711806419.db2.gz NJQBLELZEOMEEC-ZETCQYMHSA-N -1 0 236.293 -0.363 20 0 BBADRM CCCNS(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000160335628 488123553 /nfs/dbraw/zinc/12/35/53/488123553.db2.gz FBPQIZDSTHVFET-ZCFIWIBFSA-N -1 0 224.282 -0.459 20 0 BBADRM CCCNS(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000160335767 487557229 /nfs/dbraw/zinc/55/72/29/487557229.db2.gz FBPQIZDSTHVFET-LURJTMIESA-N -1 0 224.282 -0.459 20 0 BBADRM CC(C)NS(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000160336401 538883813 /nfs/dbraw/zinc/88/38/13/538883813.db2.gz NYVRLKHYIBDMMK-ZCFIWIBFSA-N -1 0 224.282 -0.461 20 0 BBADRM CC(C)NS(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000160336538 538883913 /nfs/dbraw/zinc/88/39/13/538883913.db2.gz NYVRLKHYIBDMMK-LURJTMIESA-N -1 0 224.282 -0.461 20 0 BBADRM CCNS(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000160336668 488124553 /nfs/dbraw/zinc/12/45/53/488124553.db2.gz HYACASVZLXVWLB-RXMQYKEDSA-N -1 0 210.255 -0.849 20 0 BBADRM CCNS(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000160336799 488123994 /nfs/dbraw/zinc/12/39/94/488123994.db2.gz HYACASVZLXVWLB-YFKPBYRVSA-N -1 0 210.255 -0.849 20 0 BBADRM CC(C)NS(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000160337758 605434697 /nfs/dbraw/zinc/43/46/97/605434697.db2.gz DSTPPSRCBMOVPY-ZETCQYMHSA-N -1 0 236.293 -0.318 20 0 BBADRM CC(C)NS(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000160337852 605434680 /nfs/dbraw/zinc/43/46/80/605434680.db2.gz DSTPPSRCBMOVPY-SSDOTTSWSA-N -1 0 236.293 -0.318 20 0 BBADRM CCNS(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000160337992 601389545 /nfs/dbraw/zinc/38/95/45/601389545.db2.gz LXWGIFPLUDMKBE-LURJTMIESA-N -1 0 222.266 -0.707 20 0 BBADRM CCNS(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000160338112 601389595 /nfs/dbraw/zinc/38/95/95/601389595.db2.gz LXWGIFPLUDMKBE-ZCFIWIBFSA-N -1 0 222.266 -0.707 20 0 BBADRM CCNS(=O)(=O)N(C)C(C)(C)C(=O)[O-] ZINC000160339200 600230695 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CCN(CC(=O)N(C)C)C(=O)[C@@H](C)C(=O)[O-] ZINC000165428461 490256227 /nfs/dbraw/zinc/25/62/27/490256227.db2.gz AMLYIDFZLBCOMI-SSDOTTSWSA-N -1 0 230.264 -0.356 20 0 BBADRM CCN(CC(=O)N(C)C)C(=O)[C@H](C)C(=O)[O-] ZINC000165428597 490256301 /nfs/dbraw/zinc/25/63/01/490256301.db2.gz AMLYIDFZLBCOMI-ZETCQYMHSA-N -1 0 230.264 -0.356 20 0 BBADRM CCNC(=O)CN(CC)C(=O)[C@@H](C)C(=O)[O-] ZINC000165438113 388252386 /nfs/dbraw/zinc/25/23/86/388252386.db2.gz UINUZPOVIMSSOW-SSDOTTSWSA-N -1 0 230.264 -0.308 20 0 BBADRM CCNC(=O)CN(CC)C(=O)[C@H](C)C(=O)[O-] ZINC000165438241 385390275 /nfs/dbraw/zinc/39/02/75/385390275.db2.gz UINUZPOVIMSSOW-ZETCQYMHSA-N -1 0 230.264 -0.308 20 0 BBADRM CC(C)NC(=O)CN(C)C(=O)[C@@H](C)C(=O)[O-] ZINC000165438584 487981610 /nfs/dbraw/zinc/98/16/10/487981610.db2.gz MMGAPLQCCCATRB-SSDOTTSWSA-N -1 0 230.264 -0.310 20 0 BBADRM CC(C)NC(=O)CN(C)C(=O)[C@H](C)C(=O)[O-] ZINC000165438687 487981578 /nfs/dbraw/zinc/98/15/78/487981578.db2.gz MMGAPLQCCCATRB-ZETCQYMHSA-N -1 0 230.264 -0.310 20 0 BBADRM CCCCN(CC(N)=O)C(=O)[C@@H](C)C(=O)[O-] ZINC000165445007 326422693 /nfs/dbraw/zinc/42/26/93/326422693.db2.gz LUBAMFDTKMGTMF-SSDOTTSWSA-N -1 0 230.264 -0.179 20 0 BBADRM CCCCN(CC(N)=O)C(=O)[C@H](C)C(=O)[O-] ZINC000165445127 388402372 /nfs/dbraw/zinc/40/23/72/388402372.db2.gz LUBAMFDTKMGTMF-ZETCQYMHSA-N -1 0 230.264 -0.179 20 0 BBADRM CC(C)CN(CC(N)=O)C(=O)[C@@H](C)C(=O)[O-] ZINC000165448819 326422605 /nfs/dbraw/zinc/42/26/05/326422605.db2.gz IMQMISCZUOQBRZ-SSDOTTSWSA-N -1 0 230.264 -0.323 20 0 BBADRM CC(C)CN(CC(N)=O)C(=O)[C@H](C)C(=O)[O-] ZINC000165448943 388402092 /nfs/dbraw/zinc/40/20/92/388402092.db2.gz IMQMISCZUOQBRZ-ZETCQYMHSA-N -1 0 230.264 -0.323 20 0 BBADRM CCNC(=O)CN(C)C(=O)[C@@H](C)C(=O)[O-] ZINC000165450303 487985017 /nfs/dbraw/zinc/98/50/17/487985017.db2.gz GJSVFNMMOMHEPO-ZCFIWIBFSA-N -1 0 216.237 -0.698 20 0 BBADRM CCNC(=O)CN(C)C(=O)[C@H](C)C(=O)[O-] ZINC000165450423 487850494 /nfs/dbraw/zinc/85/04/94/487850494.db2.gz GJSVFNMMOMHEPO-LURJTMIESA-N -1 0 216.237 -0.698 20 0 BBADRM COC(=O)[C@@H](C)CN(C)C(=O)[C@@H](C)C(=O)[O-] ZINC000165452084 388402452 /nfs/dbraw/zinc/40/24/52/388402452.db2.gz YCCYCSRAAWZVKI-NKWVEPMBSA-N -1 0 231.248 -0.025 20 0 BBADRM COC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)C(=O)[O-] ZINC000165452209 388402145 /nfs/dbraw/zinc/40/21/45/388402145.db2.gz YCCYCSRAAWZVKI-RNFRBKRXSA-N -1 0 231.248 -0.025 20 0 BBADRM COC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)C(=O)[O-] ZINC000165452349 326422671 /nfs/dbraw/zinc/42/26/71/326422671.db2.gz YCCYCSRAAWZVKI-BQBZGAKWSA-N -1 0 231.248 -0.025 20 0 BBADRM COC(=O)[C@H](C)CN(C)C(=O)[C@H](C)C(=O)[O-] ZINC000165452470 323174877 /nfs/dbraw/zinc/17/48/77/323174877.db2.gz YCCYCSRAAWZVKI-RQJHMYQMSA-N -1 0 231.248 -0.025 20 0 BBADRM CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)C(=O)[O-] ZINC000165454119 487987666 /nfs/dbraw/zinc/98/76/66/487987666.db2.gz BHLRUAAGABBRRQ-NKWVEPMBSA-N -1 0 228.248 -0.556 20 0 BBADRM CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)C(=O)[O-] ZINC000165454248 487988044 /nfs/dbraw/zinc/98/80/44/487988044.db2.gz BHLRUAAGABBRRQ-RNFRBKRXSA-N -1 0 228.248 -0.556 20 0 BBADRM CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)C(=O)[O-] ZINC000165454374 487987189 /nfs/dbraw/zinc/98/71/89/487987189.db2.gz BHLRUAAGABBRRQ-BQBZGAKWSA-N -1 0 228.248 -0.556 20 0 BBADRM CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)C(=O)[O-] ZINC000165454497 487987779 /nfs/dbraw/zinc/98/77/79/487987779.db2.gz BHLRUAAGABBRRQ-RQJHMYQMSA-N -1 0 228.248 -0.556 20 0 BBADRM C[C@H](C(=O)[O-])C(=O)NC[C@@H]1COCCO1 ZINC000165457574 388401987 /nfs/dbraw/zinc/40/19/87/388401987.db2.gz WFRCNRQARMESKU-NKWVEPMBSA-N -1 0 217.221 -0.761 20 0 BBADRM C[C@@H](C(=O)[O-])C(=O)NC[C@@H]1COCCO1 ZINC000165457704 388402760 /nfs/dbraw/zinc/40/27/60/388402760.db2.gz WFRCNRQARMESKU-RNFRBKRXSA-N -1 0 217.221 -0.761 20 0 BBADRM C[C@H](C(=O)[O-])C(=O)NC[C@H]1COCCO1 ZINC000165457828 326422602 /nfs/dbraw/zinc/42/26/02/326422602.db2.gz WFRCNRQARMESKU-BQBZGAKWSA-N -1 0 217.221 -0.761 20 0 BBADRM C[C@@H](C(=O)[O-])C(=O)NC[C@H]1COCCO1 ZINC000165457954 326422694 /nfs/dbraw/zinc/42/26/94/326422694.db2.gz WFRCNRQARMESKU-RQJHMYQMSA-N -1 0 217.221 -0.761 20 0 BBADRM CCCN(CC(=O)NC)C(=O)[C@@H](C)C(=O)[O-] ZINC000165459388 343211292 /nfs/dbraw/zinc/21/12/92/343211292.db2.gz ILGVFVQGSSYSLE-SSDOTTSWSA-N -1 0 230.264 -0.308 20 0 BBADRM CCCN(CC(=O)NC)C(=O)[C@H](C)C(=O)[O-] ZINC000165459522 343211140 /nfs/dbraw/zinc/21/11/40/343211140.db2.gz ILGVFVQGSSYSLE-ZETCQYMHSA-N -1 0 230.264 -0.308 20 0 BBADRM COCCOCCCNC(=O)[C@H](C)C(=O)[O-] ZINC000165464823 326422991 /nfs/dbraw/zinc/42/29/91/326422991.db2.gz WWKUAKGQMOGPOS-QMMMGPOBSA-N -1 0 233.264 -0.124 20 0 BBADRM COCCOCCCNC(=O)[C@@H](C)C(=O)[O-] ZINC000165464949 388402539 /nfs/dbraw/zinc/40/25/39/388402539.db2.gz WWKUAKGQMOGPOS-MRVPVSSYSA-N -1 0 233.264 -0.124 20 0 BBADRM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCCNC1=O ZINC000165471016 388402087 /nfs/dbraw/zinc/40/20/87/388402087.db2.gz OGOPCVBGGHIADN-NKWVEPMBSA-N -1 0 228.248 -0.508 20 0 BBADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCCNC1=O ZINC000165471174 323039720 /nfs/dbraw/zinc/03/97/20/323039720.db2.gz OGOPCVBGGHIADN-RNFRBKRXSA-N -1 0 228.248 -0.508 20 0 BBADRM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCCCNC1=O ZINC000165471298 323039774 /nfs/dbraw/zinc/03/97/74/323039774.db2.gz OGOPCVBGGHIADN-BQBZGAKWSA-N -1 0 228.248 -0.508 20 0 BBADRM C[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCCNC1=O ZINC000165471430 323039667 /nfs/dbraw/zinc/03/96/67/323039667.db2.gz OGOPCVBGGHIADN-RQJHMYQMSA-N -1 0 228.248 -0.508 20 0 BBADRM COC(=O)[C@H](C)NC(=O)[C@@H](C)C(=O)[O-] ZINC000165473323 343432638 /nfs/dbraw/zinc/43/26/38/343432638.db2.gz FBGDMWNZDQHXNZ-UHNVWZDZSA-N -1 0 203.194 -0.615 20 0 BBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)C(=O)[O-] ZINC000165473454 343433383 /nfs/dbraw/zinc/43/33/83/343433383.db2.gz FBGDMWNZDQHXNZ-WHFBIAKZSA-N -1 0 203.194 -0.615 20 0 BBADRM COC(=O)C(C)(C)NC(=O)[C@H](C)C(=O)[O-] ZINC000165473595 388402389 /nfs/dbraw/zinc/40/23/89/388402389.db2.gz VUJVOKHOPWPVIF-YFKPBYRVSA-N -1 0 217.221 -0.225 20 0 BBADRM COC(=O)C(C)(C)NC(=O)[C@@H](C)C(=O)[O-] ZINC000165473726 326423343 /nfs/dbraw/zinc/42/33/43/326423343.db2.gz VUJVOKHOPWPVIF-RXMQYKEDSA-N -1 0 217.221 -0.225 20 0 BBADRM COC(=O)CCCNC(=O)[C@H](C)C(=O)[O-] ZINC000165477517 326423295 /nfs/dbraw/zinc/42/32/95/326423295.db2.gz HZEMMMFFULBRLL-LURJTMIESA-N -1 0 217.221 -0.224 20 0 BBADRM COC(=O)CCCNC(=O)[C@@H](C)C(=O)[O-] ZINC000165477650 388402414 /nfs/dbraw/zinc/40/24/14/388402414.db2.gz HZEMMMFFULBRLL-ZCFIWIBFSA-N -1 0 217.221 -0.224 20 0 BBADRM CC(C)C(=O)NCCNC(=O)[C@@H](C)C(=O)[O-] ZINC000165479646 388402002 /nfs/dbraw/zinc/40/20/02/388402002.db2.gz DUFUSOIICXRHLK-SSDOTTSWSA-N -1 0 230.264 -0.405 20 0 BBADRM CC(C)C(=O)NCCNC(=O)[C@H](C)C(=O)[O-] ZINC000165479745 326423336 /nfs/dbraw/zinc/42/33/36/326423336.db2.gz DUFUSOIICXRHLK-ZETCQYMHSA-N -1 0 230.264 -0.405 20 0 BBADRM COC(=O)CCNC(=O)[C@H](C)C(=O)[O-] ZINC000165481139 326423193 /nfs/dbraw/zinc/42/31/93/326423193.db2.gz YFBAZHYJCAXMGE-YFKPBYRVSA-N -1 0 203.194 -0.614 20 0 BBADRM COC(=O)CCNC(=O)[C@@H](C)C(=O)[O-] ZINC000165481268 326423274 /nfs/dbraw/zinc/42/32/74/326423274.db2.gz YFBAZHYJCAXMGE-RXMQYKEDSA-N -1 0 203.194 -0.614 20 0 BBADRM C[C@H](C(=O)[O-])C(=O)NCc1cnn(C)c1 ZINC000165485695 343211326 /nfs/dbraw/zinc/21/13/26/343211326.db2.gz IOHDEVSXQPDOOR-LURJTMIESA-N -1 0 211.221 -0.243 20 0 BBADRM C[C@@H](C(=O)[O-])C(=O)NCc1cnn(C)c1 ZINC000165485812 343211220 /nfs/dbraw/zinc/21/12/20/343211220.db2.gz IOHDEVSXQPDOOR-ZCFIWIBFSA-N -1 0 211.221 -0.243 20 0 BBADRM C[C@H](C(=O)[O-])C(=O)NCCn1ccnc1 ZINC000165485953 326423189 /nfs/dbraw/zinc/42/31/89/326423189.db2.gz VQYOUTIDMAVGNA-ZETCQYMHSA-N -1 0 211.221 -0.280 20 0 BBADRM C[C@@H](C(=O)[O-])C(=O)NCCn1ccnc1 ZINC000165486085 388403221 /nfs/dbraw/zinc/40/32/21/388403221.db2.gz VQYOUTIDMAVGNA-SSDOTTSWSA-N -1 0 211.221 -0.280 20 0 BBADRM COCCOCCNC(=O)[C@H](C)C(=O)[O-] ZINC000165492506 343211615 /nfs/dbraw/zinc/21/16/15/343211615.db2.gz YGLKLLUSXRTWMQ-ZETCQYMHSA-N -1 0 219.237 -0.514 20 0 BBADRM COCCOCCNC(=O)[C@@H](C)C(=O)[O-] ZINC000165492626 343211621 /nfs/dbraw/zinc/21/16/21/343211621.db2.gz YGLKLLUSXRTWMQ-SSDOTTSWSA-N -1 0 219.237 -0.514 20 0 BBADRM C[C@H](C(=O)[O-])C(=O)N1CCS(=O)CC1 ZINC000165494355 384300555 /nfs/dbraw/zinc/30/05/55/384300555.db2.gz BSQYGPJOHLNAST-LURJTMIESA-N -1 0 219.262 -0.702 20 0 BBADRM C[C@@H](C(=O)[O-])C(=O)N1CCS(=O)CC1 ZINC000165494478 323175020 /nfs/dbraw/zinc/17/50/20/323175020.db2.gz BSQYGPJOHLNAST-ZCFIWIBFSA-N -1 0 219.262 -0.702 20 0 BBADRM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)C(=O)[O-] ZINC000165503245 640582845 /nfs/dbraw/zinc/58/28/45/640582845.db2.gz MUWAKGOVNXDDSJ-PHDIDXHHSA-N -1 0 217.221 -0.225 20 0 BBADRM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)C(=O)[O-] ZINC000165503368 640581573 /nfs/dbraw/zinc/58/15/73/640581573.db2.gz MUWAKGOVNXDDSJ-RITPCOANSA-N -1 0 217.221 -0.225 20 0 BBADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)C(=O)[O-] ZINC000165503498 640582602 /nfs/dbraw/zinc/58/26/02/640582602.db2.gz MUWAKGOVNXDDSJ-NTSWFWBYSA-N -1 0 217.221 -0.225 20 0 BBADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)C(=O)[O-] ZINC000165503615 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O=C([O-])[C@H]1CC[C@@H](C(=O)NCCO)C1 ZINC000236499192 636717739 /nfs/dbraw/zinc/71/77/39/636717739.db2.gz YLTLWWFIOJPELN-RQJHMYQMSA-N -1 0 201.222 -0.404 20 0 BBADRM O=C([O-])[C@H](CO)NC(=O)c1cccnc1Cl ZINC000236502980 599742394 /nfs/dbraw/zinc/74/23/94/599742394.db2.gz DHDUPUNMYWRINZ-LURJTMIESA-N -1 0 244.634 -0.090 20 0 BBADRM O=C([O-])[C@H](CO)NC(=O)c1ccnc(Cl)c1 ZINC000236503029 605280821 /nfs/dbraw/zinc/28/08/21/605280821.db2.gz UYENEXOPGJJZSP-LURJTMIESA-N -1 0 244.634 -0.090 20 0 BBADRM O=C([O-])[C@H](CO)NC(=O)c1ccnc(F)c1 ZINC000236503043 605280942 /nfs/dbraw/zinc/28/09/42/605280942.db2.gz UJWGVTJKZUFQGK-LURJTMIESA-N -1 0 228.179 -0.604 20 0 BBADRM O=C([O-])c1ccc(NC[C@H](O)CO)nc1 ZINC000236514510 488067801 /nfs/dbraw/zinc/06/78/01/488067801.db2.gz AIHAARFUMLMJBK-ZETCQYMHSA-N -1 0 212.205 -0.455 20 0 BBADRM O=C([O-])[C@H](CO)NC(=O)C1Cc2ccccc2C1 ZINC000236515722 632957539 /nfs/dbraw/zinc/95/75/39/632957539.db2.gz HQTVSVRJIWFMFP-NSHDSACASA-N -1 0 249.266 -0.037 20 0 BBADRM O=C([O-])c1ccc(NC[C@@H](O)CO)nc1 ZINC000236518169 488067578 /nfs/dbraw/zinc/06/75/78/488067578.db2.gz AIHAARFUMLMJBK-SSDOTTSWSA-N -1 0 212.205 -0.455 20 0 BBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000236532351 632963374 /nfs/dbraw/zinc/96/33/74/632963374.db2.gz MTEPHYMXAVTSMH-MROZADKFSA-N -1 0 241.165 -0.254 20 0 BBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000236532460 601442305 /nfs/dbraw/zinc/44/23/05/601442305.db2.gz MTEPHYMXAVTSMH-UOWFLXDJSA-N -1 0 241.165 -0.254 20 0 BBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000236534296 601442200 /nfs/dbraw/zinc/44/22/00/601442200.db2.gz MTEPHYMXAVTSMH-VPENINKCSA-N -1 0 241.165 -0.254 20 0 BBADRM O=C(NC[C@H]1CC[C@@H](O)C1)c1cn[nH]n1 ZINC000236547505 385155962 /nfs/dbraw/zinc/15/59/62/385155962.db2.gz RPVYHVWFMUJIGR-NKWVEPMBSA-N -1 0 210.237 -0.305 20 0 BBADRM O=C(NC[C@@H]1CC[C@H](O)C1)c1cn[nH]n1 ZINC000236562433 385162064 /nfs/dbraw/zinc/16/20/64/385162064.db2.gz RPVYHVWFMUJIGR-RQJHMYQMSA-N -1 0 210.237 -0.305 20 0 BBADRM O=C(c1c([O-])cccc1F)N1C[C@H](O)[C@@H](O)C1 ZINC000236570811 488073312 /nfs/dbraw/zinc/07/33/12/488073312.db2.gz QNCZMUMORLABDB-IUCAKERBSA-N -1 0 241.218 -0.291 20 0 BBADRM O=C(c1ccc(F)cc1[O-])N1C[C@H](O)[C@@H](O)C1 ZINC000236573873 488072362 /nfs/dbraw/zinc/07/23/62/488072362.db2.gz OVUATIUJNQLZHE-UWVGGRQHSA-N -1 0 241.218 -0.291 20 0 BBADRM O=C([O-])c1coc(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000236591499 601154728 /nfs/dbraw/zinc/15/47/28/601154728.db2.gz KUMPGZNKXFTHGC-DTORHVGOSA-N -1 0 227.216 -0.485 20 0 BBADRM O=C([O-])[C@@H](c1ccccc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000236603301 601154745 /nfs/dbraw/zinc/15/47/45/601154745.db2.gz XWYNHSZSZMCAAB-OUAUKWLOSA-N -1 0 237.255 -0.150 20 0 BBADRM O=C([O-])[C@H](c1ccccc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000236604549 601154757 /nfs/dbraw/zinc/15/47/57/601154757.db2.gz XWYNHSZSZMCAAB-AXFHLTTASA-N -1 0 237.255 -0.150 20 0 BBADRM O=C([O-])c1ccc(N2C[C@@H](O)[C@@H](O)C2)nc1 ZINC000236610988 643693657 /nfs/dbraw/zinc/69/36/57/643693657.db2.gz XNWPBCLDIBROLQ-OCAPTIKFSA-N -1 0 224.216 -0.678 20 0 BBADRM CC(C)[C@H](NC(=O)C(=O)NC1CC1)C(=O)[O-] ZINC000236664804 192089529 /nfs/dbraw/zinc/08/95/29/192089529.db2.gz QMGGTUNFPDPRLQ-ZETCQYMHSA-N -1 0 228.248 -0.510 20 0 BBADRM CC(=O)N[C@H](C(=O)NCC(=O)[O-])C1CCCC1 ZINC000236680183 386301221 /nfs/dbraw/zinc/30/12/21/386301221.db2.gz LGUWLCOZWIFJNB-JTQLQIEISA-N -1 0 242.275 -0.118 20 0 BBADRM CCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC000236680717 168538812 /nfs/dbraw/zinc/53/88/12/168538812.db2.gz TYAZBECDPGRWEJ-MRVPVSSYSA-N -1 0 242.275 -0.022 20 0 BBADRM CC(C)(NC(=O)c1nccnc1N)C(=O)[O-] ZINC000236682328 187802687 /nfs/dbraw/zinc/80/26/87/187802687.db2.gz GXJUUJGQUXEWLP-UHFFFAOYSA-N -1 0 224.220 -0.348 20 0 BBADRM CCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC000236686494 597023919 /nfs/dbraw/zinc/02/39/19/597023919.db2.gz TYAZBECDPGRWEJ-QMMMGPOBSA-N -1 0 242.275 -0.022 20 0 BBADRM CC(C)[C@@H](NC(=O)c1nccnc1N)C(=O)[O-] ZINC000236705581 386303247 /nfs/dbraw/zinc/30/32/47/386303247.db2.gz SDYLZXZFYZCFIG-ZCFIWIBFSA-N -1 0 238.247 -0.102 20 0 BBADRM CCCC(=O)NCC(=O)N(CC(=O)[O-])C1CC1 ZINC000236709391 168544852 /nfs/dbraw/zinc/54/48/52/168544852.db2.gz FXEZQUUSXSJLTI-UHFFFAOYSA-N -1 0 242.275 -0.022 20 0 BBADRM CCCC(=O)NCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000236711059 597503756 /nfs/dbraw/zinc/50/37/56/597503756.db2.gz IHDSYKRDQHNNCE-MRVPVSSYSA-N -1 0 242.275 -0.164 20 0 BBADRM CCCC(=O)NCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000236711136 597503712 /nfs/dbraw/zinc/50/37/12/597503712.db2.gz IHDSYKRDQHNNCE-QMMMGPOBSA-N -1 0 242.275 -0.164 20 0 BBADRM CCCC(=O)NCC(=O)NC(C)(C)C(=O)[O-] ZINC000236711558 632817920 /nfs/dbraw/zinc/81/79/20/632817920.db2.gz VHILUVBEWMMYBS-UHFFFAOYSA-N -1 0 230.264 -0.118 20 0 BBADRM CCCC(=O)NCC(=O)NCCCC(=O)[O-] ZINC000236712112 597278479 /nfs/dbraw/zinc/27/84/79/597278479.db2.gz FUBPPMYMYDRBTA-UHFFFAOYSA-N -1 0 230.264 -0.116 20 0 BBADRM CC(=O)N[C@@H](C(=O)NCC(=O)[O-])C1CCCC1 ZINC000236713599 188190918 /nfs/dbraw/zinc/19/09/18/188190918.db2.gz LGUWLCOZWIFJNB-SNVBAGLBSA-N -1 0 242.275 -0.118 20 0 BBADRM CC(C)(CNC(=O)c1nccnc1N)C(=O)[O-] ZINC000236714136 386306150 /nfs/dbraw/zinc/30/61/50/386306150.db2.gz QIGOBWYLGVILHE-UHFFFAOYSA-N -1 0 238.247 -0.101 20 0 BBADRM CCC(=O)N1CCCC[C@@H]1C(=O)NCC(=O)[O-] ZINC000236748319 168216714 /nfs/dbraw/zinc/21/67/14/168216714.db2.gz NXPWXPBEBAJXIL-MRVPVSSYSA-N -1 0 242.275 -0.022 20 0 BBADRM CCC(=O)N1CCCC[C@H]1C(=O)NCC(=O)[O-] ZINC000236752406 168216507 /nfs/dbraw/zinc/21/65/07/168216507.db2.gz NXPWXPBEBAJXIL-QMMMGPOBSA-N -1 0 242.275 -0.022 20 0 BBADRM CCC(=O)N1CCC[C@@H](C(=O)NCC(=O)[O-])C1 ZINC000236755433 134835114 /nfs/dbraw/zinc/83/51/14/134835114.db2.gz AMCDRZJGRBZXJZ-MRVPVSSYSA-N -1 0 242.275 -0.164 20 0 BBADRM CCC(=O)N1CCC[C@H](C(=O)NCC(=O)[O-])C1 ZINC000236757206 387905795 /nfs/dbraw/zinc/90/57/95/387905795.db2.gz AMCDRZJGRBZXJZ-QMMMGPOBSA-N -1 0 242.275 -0.164 20 0 BBADRM CC(C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC000236759751 134834460 /nfs/dbraw/zinc/83/44/60/134834460.db2.gz IZNQBIPHGVLTHF-MRVPVSSYSA-N -1 0 242.275 -0.166 20 0 BBADRM CC(C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC000236763576 387906515 /nfs/dbraw/zinc/90/65/15/387906515.db2.gz IZNQBIPHGVLTHF-QMMMGPOBSA-N -1 0 242.275 -0.166 20 0 BBADRM CC(C)[C@@H](NC(=O)C(=O)NC1CC1)C(=O)[O-] ZINC000236809834 388383673 /nfs/dbraw/zinc/38/36/73/388383673.db2.gz QMGGTUNFPDPRLQ-SSDOTTSWSA-N -1 0 228.248 -0.510 20 0 BBADRM CC[C@H](C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000236871062 171227355 /nfs/dbraw/zinc/22/73/55/171227355.db2.gz ZSVFKNYXRBNXEM-SSDOTTSWSA-N -1 0 228.248 -0.412 20 0 BBADRM CC[C@H](C(=O)N[C@H](C)C(=O)[O-])N1CCCC1=O ZINC000236872139 171232632 /nfs/dbraw/zinc/23/26/32/171232632.db2.gz IFZWVHPKAITTND-HTQZYQBOSA-N -1 0 242.275 -0.023 20 0 BBADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C(=O)NC1CC1 ZINC000236883839 388386117 /nfs/dbraw/zinc/38/61/17/388386117.db2.gz MLHLNNWFVFFAEH-ZETCQYMHSA-N -1 0 242.275 -0.023 20 0 BBADRM CCN(CC(=O)[O-])C(=O)CCCn1cncn1 ZINC000236928862 635649270 /nfs/dbraw/zinc/64/92/70/635649270.db2.gz TZQMAAJDUCTNEY-UHFFFAOYSA-N -1 0 240.263 -0.009 20 0 BBADRM CC[C@H](C)[C@H](NC(=O)C(=O)NC1CC1)C(=O)[O-] ZINC000236939068 171398019 /nfs/dbraw/zinc/39/80/19/171398019.db2.gz QANGNTXYBIOQFU-XPUUQOCRSA-N -1 0 242.275 -0.120 20 0 BBADRM CCCN(CC(=O)[O-])C(=O)c1nccnc1N ZINC000236940546 169097910 /nfs/dbraw/zinc/09/79/10/169097910.db2.gz LLUGBGMSTBAHBA-UHFFFAOYSA-N -1 0 238.247 -0.004 20 0 BBADRM CC[C@@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-] ZINC000236960449 386330776 /nfs/dbraw/zinc/33/07/76/386330776.db2.gz VFIBSBXMEGRVTI-MRVPVSSYSA-N -1 0 238.243 -0.022 20 0 BBADRM CC[C@@H](C(=O)NCC(=O)[O-])N1CCCC1=O ZINC000236979096 170661924 /nfs/dbraw/zinc/66/19/24/170661924.db2.gz ZSVFKNYXRBNXEM-ZETCQYMHSA-N -1 0 228.248 -0.412 20 0 BBADRM CC[C@@H](C(=O)N[C@H](C)C(=O)[O-])N1CCCC1=O ZINC000236979961 602250929 /nfs/dbraw/zinc/25/09/29/602250929.db2.gz IFZWVHPKAITTND-SFYZADRCSA-N -1 0 242.275 -0.023 20 0 BBADRM CCN(CC)C(=O)CCC(=O)NCC(=O)[O-] ZINC000237006225 169744665 /nfs/dbraw/zinc/74/46/65/169744665.db2.gz IYFDGNPPVNXSPX-UHFFFAOYSA-N -1 0 230.264 -0.164 20 0 BBADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cnnn1 ZINC000237013415 601460970 /nfs/dbraw/zinc/46/09/70/601460970.db2.gz JCZOKYNXUDRAQK-VIFPVBQESA-N -1 0 241.251 -0.567 20 0 BBADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C(=O)NC1CC1 ZINC000237026709 259680476 /nfs/dbraw/zinc/68/04/76/259680476.db2.gz MLHLNNWFVFFAEH-SSDOTTSWSA-N -1 0 242.275 -0.023 20 0 BBADRM CC[C@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-] ZINC000237048803 171509445 /nfs/dbraw/zinc/50/94/45/171509445.db2.gz VFIBSBXMEGRVTI-QMMMGPOBSA-N -1 0 238.243 -0.022 20 0 BBADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cn1cnnn1 ZINC000237107052 601461212 /nfs/dbraw/zinc/46/12/12/601461212.db2.gz JCZOKYNXUDRAQK-SECBINFHSA-N -1 0 241.251 -0.567 20 0 BBADRM COC[C@](C)(NC(=O)Cn1cccn1)C(=O)[O-] ZINC000237131095 601695198 /nfs/dbraw/zinc/69/51/98/601695198.db2.gz UZUUBJOXJBAYKI-JTQLQIEISA-N -1 0 241.247 -0.511 20 0 BBADRM CN(C)C(=O)CCCC(=O)NC1(C(=O)[O-])CC1 ZINC000237131154 386358397 /nfs/dbraw/zinc/35/83/97/386358397.db2.gz JUGAPDRWLMIPTH-UHFFFAOYSA-N -1 0 242.275 -0.022 20 0 BBADRM CN(CC(=O)[O-])C(=O)CCCNC(=O)C1CC1 ZINC000237135475 172613624 /nfs/dbraw/zinc/61/36/24/172613624.db2.gz UJPBYMJMXONDEZ-UHFFFAOYSA-N -1 0 242.275 -0.164 20 0 BBADRM COC[C@](C)(NC(=O)c1cc(C)n[nH]1)C(=O)[O-] ZINC000237140171 601700534 /nfs/dbraw/zinc/70/05/34/601700534.db2.gz ZXFIWUCDVNYUJE-JTQLQIEISA-N -1 0 241.247 -0.062 20 0 BBADRM CNC(=O)c1cccc(C(=O)NCC(=O)[O-])c1 ZINC000237166210 388390740 /nfs/dbraw/zinc/39/07/40/388390740.db2.gz CSNVLKSERKPZQC-UHFFFAOYSA-N -1 0 236.227 -0.139 20 0 BBADRM COC[C@@](C)(NC(=O)Cn1cccn1)C(=O)[O-] ZINC000237215298 601695098 /nfs/dbraw/zinc/69/50/98/601695098.db2.gz UZUUBJOXJBAYKI-SNVBAGLBSA-N -1 0 241.247 -0.511 20 0 BBADRM COC[C@@](C)(NC(=O)c1cc(C)n[nH]1)C(=O)[O-] ZINC000237220713 174522304 /nfs/dbraw/zinc/52/23/04/174522304.db2.gz ZXFIWUCDVNYUJE-SNVBAGLBSA-N -1 0 241.247 -0.062 20 0 BBADRM COCCN(CC(=O)[O-])C(=O)Cc1ccon1 ZINC000237274894 174286239 /nfs/dbraw/zinc/28/62/39/174286239.db2.gz LNWHXEUAYXZGKL-UHFFFAOYSA-N -1 0 242.231 -0.223 20 0 BBADRM C[C@@H](NC(=O)c1ccc2nncn2c1)C(=O)[O-] ZINC000237353211 387924870 /nfs/dbraw/zinc/92/48/70/387924870.db2.gz VCOXMQCRSNXLAO-ZCFIWIBFSA-N -1 0 234.215 -0.068 20 0 BBADRM C[C@@H](NC(=O)c1cn2cccnc2n1)C(=O)[O-] ZINC000237363437 325353376 /nfs/dbraw/zinc/35/33/76/325353376.db2.gz LYPWAMIZSGTGIS-ZCFIWIBFSA-N -1 0 234.215 -0.068 20 0 BBADRM C[C@H](NC(=O)Cn1ccccc1=O)C(=O)[O-] ZINC000237418989 388394926 /nfs/dbraw/zinc/39/49/26/388394926.db2.gz HAXARRNTTJKGAH-ZETCQYMHSA-N -1 0 224.216 -0.562 20 0 BBADRM C[C@H](NC(=O)c1ccoc1)C(=O)NCC(=O)[O-] ZINC000237454383 386381354 /nfs/dbraw/zinc/38/13/54/386381354.db2.gz ABUCSLYDDJOGJB-LURJTMIESA-N -1 0 240.215 -0.401 20 0 BBADRM C[C@@H](CC(=O)[O-])NC(=O)c1nccnc1N ZINC000237463019 388394594 /nfs/dbraw/zinc/39/45/94/388394594.db2.gz DCFSBJXBAWJKIG-YFKPBYRVSA-N -1 0 224.220 -0.348 20 0 BBADRM C[C@H](NC(=O)c1nccn2ccnc12)C(=O)[O-] ZINC000237463394 388394676 /nfs/dbraw/zinc/39/46/76/388394676.db2.gz DPAXYCGFLTYVAL-LURJTMIESA-N -1 0 234.215 -0.068 20 0 BBADRM C[C@H](NC(=O)c1nccnc1N)C(=O)[O-] ZINC000237463435 388394825 /nfs/dbraw/zinc/39/48/25/388394825.db2.gz SWVLMZSPEIRSLG-BYPYZUCNSA-N -1 0 210.193 -0.738 20 0 BBADRM C[C@H](NC(=O)c1ccc2nncn2c1)C(=O)[O-] ZINC000237486455 136272179 /nfs/dbraw/zinc/27/21/79/136272179.db2.gz VCOXMQCRSNXLAO-LURJTMIESA-N -1 0 234.215 -0.068 20 0 BBADRM C[C@H](NC(=O)c1cn2cccnc2n1)C(=O)[O-] ZINC000237494855 325357859 /nfs/dbraw/zinc/35/78/59/325357859.db2.gz LYPWAMIZSGTGIS-LURJTMIESA-N -1 0 234.215 -0.068 20 0 BBADRM C[C@@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-] ZINC000237557158 602246906 /nfs/dbraw/zinc/24/69/06/602246906.db2.gz INTIZTSQSJLFEH-SSDOTTSWSA-N -1 0 242.275 -0.118 20 0 BBADRM C[C@@H](NC(=O)CCN1CCCC1=O)C(=O)[O-] ZINC000237565645 537947485 /nfs/dbraw/zinc/94/74/85/537947485.db2.gz JRPZMKDPPDGFAH-SSDOTTSWSA-N -1 0 228.248 -0.412 20 0 BBADRM C[C@@H](NC(=O)c1ccoc1)C(=O)NCC(=O)[O-] ZINC000237585382 386393045 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642314010 /nfs/dbraw/zinc/31/40/10/642314010.db2.gz LYIXHCDADLQHHT-NKWVEPMBSA-N -1 0 203.238 -0.016 20 0 BBADRM CC[C@H](C)C[C@H](NC(=O)CO)C(=O)[O-] ZINC000238318728 642313703 /nfs/dbraw/zinc/31/37/03/642313703.db2.gz LYIXHCDADLQHHT-BQBZGAKWSA-N -1 0 203.238 -0.016 20 0 BBADRM CO[N-]C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC000238354178 642803037 /nfs/dbraw/zinc/80/30/37/642803037.db2.gz CWMONMPRQNTXIV-ZCFIWIBFSA-N -1 0 234.252 -0.450 20 0 BBADRM C[C@@H](O)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000238416649 632096299 /nfs/dbraw/zinc/09/62/99/632096299.db2.gz GERHCOSXYOWEPS-RNFRBKRXSA-N -1 0 201.222 -0.167 20 0 BBADRM C[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000238416700 632095700 /nfs/dbraw/zinc/09/57/00/632095700.db2.gz GERHCOSXYOWEPS-RQJHMYQMSA-N -1 0 201.222 -0.167 20 0 BBADRM C[C@@H](O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000238416765 632096424 /nfs/dbraw/zinc/09/64/24/632096424.db2.gz QIVHLCWTBRJAEJ-RNFRBKRXSA-N -1 0 201.222 -0.310 20 0 BBADRM C[C@@H](O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000238416868 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322816523 /nfs/dbraw/zinc/81/65/23/322816523.db2.gz GJILHCGWTXFNJP-ZCFIWIBFSA-N -1 0 244.247 -0.194 20 0 BBADRM CCOC(=O)NCC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000497148839 384802583 /nfs/dbraw/zinc/80/25/83/384802583.db2.gz OVPLGRNXLLIIHQ-LURJTMIESA-N -1 0 232.236 -0.336 20 0 BBADRM CCOC(=O)NCC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000497148840 384803825 /nfs/dbraw/zinc/80/38/25/384803825.db2.gz OVPLGRNXLLIIHQ-ZCFIWIBFSA-N -1 0 232.236 -0.336 20 0 BBADRM CC(C)OCCO[N-]C(=O)[C@H]1COC(=O)N1 ZINC000497152650 385079742 /nfs/dbraw/zinc/07/97/42/385079742.db2.gz NMGREPOIRNDPAM-SSDOTTSWSA-N -1 0 232.236 -0.432 20 0 BBADRM CC(C)OCCO[N-]C(=O)[C@@H]1COC(=O)N1 ZINC000497152653 385080622 /nfs/dbraw/zinc/08/06/22/385080622.db2.gz NMGREPOIRNDPAM-ZETCQYMHSA-N -1 0 232.236 -0.432 20 0 BBADRM C[C@H]1OC(=O)N[C@H]1C(=O)[N-]OCC(F)F ZINC000497179413 384758024 /nfs/dbraw/zinc/75/80/24/384758024.db2.gz AHTUHTNPILYMOV-NQXXGFSBSA-N -1 0 224.163 -0.204 20 0 BBADRM C[C@@H]1OC(=O)N[C@@H]1C(=O)[N-]OCC(F)F ZINC000497179414 384757972 /nfs/dbraw/zinc/75/79/72/384757972.db2.gz AHTUHTNPILYMOV-UCORVYFPSA-N -1 0 224.163 -0.204 20 0 BBADRM C[C@H]1OC(=O)N[C@@H]1C(=O)[N-]OCC(F)F ZINC000497179415 384758422 /nfs/dbraw/zinc/75/84/22/384758422.db2.gz AHTUHTNPILYMOV-WUJLRWPWSA-N -1 0 224.163 -0.204 20 0 BBADRM C[C@@H]1OC(=O)N[C@H]1C(=O)[N-]OCC(F)F ZINC000497179416 384759445 /nfs/dbraw/zinc/75/94/45/384759445.db2.gz AHTUHTNPILYMOV-WVZVXSGGSA-N -1 0 224.163 -0.204 20 0 BBADRM CC(C)(C)OC(=O)NCC(=O)[N-]OCCCO ZINC000497244517 384906444 /nfs/dbraw/zinc/90/64/44/384906444.db2.gz PNUHLAIEXMJWPL-UHFFFAOYSA-N -1 0 248.279 -0.059 20 0 BBADRM CNC(=O)CSCCCOC(=O)NC(N)=O ZINC000497245587 384904749 /nfs/dbraw/zinc/90/47/49/384904749.db2.gz SYVKOOSEITYLBS-UHFFFAOYSA-N -1 0 249.292 -0.339 20 0 BBADRM CC(C)O[N-]C(=O)[C@@H]1NC(=O)O[C@H]1C ZINC000497280350 384934434 /nfs/dbraw/zinc/93/44/34/384934434.db2.gz VQIXMTOGIDIPGW-NTSWFWBYSA-N -1 0 202.210 -0.061 20 0 BBADRM CC(C)O[N-]C(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC000497280351 528050549 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ZINC000514670735 387914117 /nfs/dbraw/zinc/91/41/17/387914117.db2.gz IIFNZGLXILEPRO-LURJTMIESA-N -1 0 240.256 -0.661 20 0 BBADRM O=C([O-])[C@@H](CF)NS(=O)(=O)N1CCCC1 ZINC000514670741 387914014 /nfs/dbraw/zinc/91/40/14/387914014.db2.gz IIFNZGLXILEPRO-ZCFIWIBFSA-N -1 0 240.256 -0.661 20 0 BBADRM CC[C@@H](Nc1nc2[nH][nH]cc-2c(=O)n1)C(=O)[O-] ZINC000514672516 387921383 /nfs/dbraw/zinc/92/13/83/387921383.db2.gz MXKSJUOGCKZYHL-RXMQYKEDSA-N -1 0 237.219 -0.293 20 0 BBADRM COCC1(S(=O)(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000514724584 387279405 /nfs/dbraw/zinc/27/94/05/387279405.db2.gz DXQSOZHYSRDMCH-LURJTMIESA-N -1 0 237.277 -0.442 20 0 BBADRM CCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000514856760 387296905 /nfs/dbraw/zinc/29/69/05/387296905.db2.gz ZNWRFRRXNPBYGD-MRVPVSSYSA-N -1 0 237.277 -0.441 20 0 BBADRM CCS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC000514856761 387297082 /nfs/dbraw/zinc/29/70/82/387297082.db2.gz ZNWRFRRXNPBYGD-QMMMGPOBSA-N -1 0 237.277 -0.441 20 0 BBADRM 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COC(=O)[C@@H]1C[C@@H]1C(=O)NCCCC(=O)[O-] ZINC000592368084 347770315 /nfs/dbraw/zinc/77/03/15/347770315.db2.gz IOLSSIASYNXGAJ-NKWVEPMBSA-N -1 0 229.232 -0.224 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)NCCCC(=O)[O-] ZINC000592368085 347770485 /nfs/dbraw/zinc/77/04/85/347770485.db2.gz IOLSSIASYNXGAJ-RNFRBKRXSA-N -1 0 229.232 -0.224 20 0 BBADRM COC(=O)[C@H]1C[C@H]1C(=O)NCCCC(=O)[O-] ZINC000592368086 347770295 /nfs/dbraw/zinc/77/02/95/347770295.db2.gz IOLSSIASYNXGAJ-RQJHMYQMSA-N -1 0 229.232 -0.224 20 0 BBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000592368490 347770511 /nfs/dbraw/zinc/77/05/11/347770511.db2.gz QDUAHXYUAWQNRZ-BIIVOSGPSA-N -1 0 241.243 -0.271 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000592368491 347770664 /nfs/dbraw/zinc/77/06/64/347770664.db2.gz QDUAHXYUAWQNRZ-BWZBUEFSSA-N -1 0 241.243 -0.271 20 0 BBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000592368492 347770320 /nfs/dbraw/zinc/77/03/20/347770320.db2.gz QDUAHXYUAWQNRZ-GJMOJQLCSA-N -1 0 241.243 -0.271 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000592368493 347770375 /nfs/dbraw/zinc/77/03/75/347770375.db2.gz QDUAHXYUAWQNRZ-XLPZGREQSA-N -1 0 241.243 -0.271 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000592368509 347770629 /nfs/dbraw/zinc/77/06/29/347770629.db2.gz SXCYIOQGASJDBY-BWZBUEFSSA-N -1 0 241.243 -0.129 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000592368510 347770463 /nfs/dbraw/zinc/77/04/63/347770463.db2.gz SXCYIOQGASJDBY-PRJMDXOYSA-N -1 0 241.243 -0.129 20 0 BBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000592368511 347770516 /nfs/dbraw/zinc/77/05/16/347770516.db2.gz SXCYIOQGASJDBY-RNJXMRFFSA-N -1 0 241.243 -0.129 20 0 BBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000592368512 347770298 /nfs/dbraw/zinc/77/02/98/347770298.db2.gz SXCYIOQGASJDBY-XLPZGREQSA-N -1 0 241.243 -0.129 20 0 BBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000592368910 347770467 /nfs/dbraw/zinc/77/04/67/347770467.db2.gz PRCSNDCVIMHCTI-DSYKOEDSSA-N -1 0 229.232 -0.273 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000592368911 347770328 /nfs/dbraw/zinc/77/03/28/347770328.db2.gz PRCSNDCVIMHCTI-FSDSQADBSA-N -1 0 229.232 -0.273 20 0 BBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000592368912 347771107 /nfs/dbraw/zinc/77/11/07/347771107.db2.gz PRCSNDCVIMHCTI-LYFYHCNISA-N -1 0 229.232 -0.273 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000592368913 347771164 /nfs/dbraw/zinc/77/11/64/347771164.db2.gz PRCSNDCVIMHCTI-RRKCRQDMSA-N -1 0 229.232 -0.273 20 0 BBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000592369259 347770956 /nfs/dbraw/zinc/77/09/56/347770956.db2.gz HDTQSFHSPHZPFC-BQBZGAKWSA-N -1 0 229.232 -0.271 20 0 BBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000592369260 347770919 /nfs/dbraw/zinc/77/09/19/347770919.db2.gz HDTQSFHSPHZPFC-NKWVEPMBSA-N -1 0 229.232 -0.271 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000592369261 347771175 /nfs/dbraw/zinc/77/11/75/347771175.db2.gz HDTQSFHSPHZPFC-RNFRBKRXSA-N -1 0 229.232 -0.271 20 0 BBADRM COC(=O)[C@H]1C[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000592369263 347771279 /nfs/dbraw/zinc/77/12/79/347771279.db2.gz HDTQSFHSPHZPFC-RQJHMYQMSA-N -1 0 229.232 -0.271 20 0 BBADRM CC[C@@H](NC(=O)[C@@H]1C[C@@H]1C(=O)OC)C(=O)[O-] ZINC000592369344 347771105 /nfs/dbraw/zinc/77/11/05/347771105.db2.gz PYZZDHFEAXAHSJ-DSYKOEDSSA-N -1 0 229.232 -0.225 20 0 BBADRM CC[C@@H](NC(=O)[C@@H]1C[C@H]1C(=O)OC)C(=O)[O-] ZINC000592369345 347770908 /nfs/dbraw/zinc/77/09/08/347770908.db2.gz PYZZDHFEAXAHSJ-FSDSQADBSA-N -1 0 229.232 -0.225 20 0 BBADRM CC[C@@H](NC(=O)[C@H]1C[C@@H]1C(=O)OC)C(=O)[O-] ZINC000592369346 347771213 /nfs/dbraw/zinc/77/12/13/347771213.db2.gz PYZZDHFEAXAHSJ-LYFYHCNISA-N -1 0 229.232 -0.225 20 0 BBADRM CC[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)OC)C(=O)[O-] ZINC000592369347 347770941 /nfs/dbraw/zinc/77/09/41/347770941.db2.gz PYZZDHFEAXAHSJ-RRKCRQDMSA-N -1 0 229.232 -0.225 20 0 BBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000592370576 347770948 /nfs/dbraw/zinc/77/09/48/347770948.db2.gz SXCYIOQGASJDBY-BIIVOSGPSA-N -1 0 241.243 -0.129 20 0 BBADRM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000592370577 347771159 /nfs/dbraw/zinc/77/11/59/347771159.db2.gz SXCYIOQGASJDBY-CSMHCCOUSA-N -1 0 241.243 -0.129 20 0 BBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000592370578 347770966 /nfs/dbraw/zinc/77/09/66/347770966.db2.gz SXCYIOQGASJDBY-FXQIFTODSA-N -1 0 241.243 -0.129 20 0 BBADRM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000592370579 347770987 /nfs/dbraw/zinc/77/09/87/347770987.db2.gz SXCYIOQGASJDBY-GJMOJQLCSA-N -1 0 241.243 -0.129 20 0 BBADRM COC(=O)[C@H]1C[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000592371138 347771117 /nfs/dbraw/zinc/77/11/17/347771117.db2.gz QZLLXXVNTDTMNZ-PBXRRBTRSA-N -1 0 215.205 -0.615 20 0 BBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000592371139 347770964 /nfs/dbraw/zinc/77/09/64/347770964.db2.gz QZLLXXVNTDTMNZ-SRQIZXRXSA-N -1 0 215.205 -0.615 20 0 BBADRM COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000592372806 347771185 /nfs/dbraw/zinc/77/11/85/347771185.db2.gz QZLLXXVNTDTMNZ-JKUQZMGJSA-N -1 0 215.205 -0.615 20 0 BBADRM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000592372807 347770958 /nfs/dbraw/zinc/77/09/58/347770958.db2.gz QZLLXXVNTDTMNZ-ZLUOBGJFSA-N -1 0 215.205 -0.615 20 0 BBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000592375832 347771771 /nfs/dbraw/zinc/77/17/71/347771771.db2.gz NFURAHKFXHTQBO-BIIVOSGPSA-N -1 0 243.259 -0.025 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000592375833 347771588 /nfs/dbraw/zinc/77/15/88/347771588.db2.gz NFURAHKFXHTQBO-BWZBUEFSSA-N -1 0 243.259 -0.025 20 0 BBADRM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000592375834 347771605 /nfs/dbraw/zinc/77/16/05/347771605.db2.gz NFURAHKFXHTQBO-GJMOJQLCSA-N -1 0 243.259 -0.025 20 0 BBADRM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000592375835 347771803 /nfs/dbraw/zinc/77/18/03/347771803.db2.gz NFURAHKFXHTQBO-XLPZGREQSA-N -1 0 243.259 -0.025 20 0 BBADRM CC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)OC)C(=O)[O-] ZINC000592379861 347772204 /nfs/dbraw/zinc/77/22/04/347772204.db2.gz PYZZDHFEAXAHSJ-ACZMJKKPSA-N -1 0 229.232 -0.225 20 0 BBADRM CC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)OC)C(=O)[O-] ZINC000592379862 347772226 /nfs/dbraw/zinc/77/22/26/347772226.db2.gz PYZZDHFEAXAHSJ-QYNIQEEDSA-N -1 0 229.232 -0.225 20 0 BBADRM CC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)OC)C(=O)[O-] ZINC000592379864 347772231 /nfs/dbraw/zinc/77/22/31/347772231.db2.gz PYZZDHFEAXAHSJ-VQVTYTSYSA-N -1 0 229.232 -0.225 20 0 BBADRM CC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)OC)C(=O)[O-] ZINC000592380265 347772143 /nfs/dbraw/zinc/77/21/43/347772143.db2.gz PYZZDHFEAXAHSJ-XVMARJQXSA-N -1 0 229.232 -0.225 20 0 BBADRM CC[C@H](NC(=O)CSCC(N)=O)C(=O)[O-] ZINC000592380939 347772210 /nfs/dbraw/zinc/77/22/10/347772210.db2.gz WVWKDXDBSBHSAM-YFKPBYRVSA-N -1 0 234.277 -0.816 20 0 BBADRM CSCCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000592439905 347779242 /nfs/dbraw/zinc/77/92/42/347779242.db2.gz HZYOXJKUONUCHN-UHFFFAOYSA-N -1 0 248.304 -0.553 20 0 BBADRM CC[C@H](CNC(=O)C(=O)[O-])C(=O)OC ZINC000592442069 347779245 /nfs/dbraw/zinc/77/92/45/347779245.db2.gz HXLOOXJHZZDING-RXMQYKEDSA-N -1 0 203.194 -0.614 20 0 BBADRM CC[C@@H](CNC(=O)C(=O)[O-])C(=O)OC ZINC000592442080 347779147 /nfs/dbraw/zinc/77/91/47/347779147.db2.gz HXLOOXJHZZDING-YFKPBYRVSA-N -1 0 203.194 -0.614 20 0 BBADRM C[C@@H](CSCCNS(C)(=O)=O)C(=O)[O-] ZINC000592449822 347780636 /nfs/dbraw/zinc/78/06/36/347780636.db2.gz WRXNLEMVVACQCA-LURJTMIESA-N -1 0 241.334 -0.011 20 0 BBADRM C[C@H](CSCCNS(C)(=O)=O)C(=O)[O-] ZINC000592449834 347780333 /nfs/dbraw/zinc/78/03/33/347780333.db2.gz WRXNLEMVVACQCA-ZCFIWIBFSA-N -1 0 241.334 -0.011 20 0 BBADRM CSCC(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000592468507 347789410 /nfs/dbraw/zinc/78/94/10/347789410.db2.gz AUPRCYOBDZFTDG-UHFFFAOYSA-N -1 0 230.249 -0.336 20 0 BBADRM CC[C@H](NC(=O)C1(C(=O)OC)CC1)C(=O)[O-] ZINC000592469074 347789321 /nfs/dbraw/zinc/78/93/21/347789321.db2.gz UNUROROTAODRNE-LURJTMIESA-N -1 0 229.232 -0.081 20 0 BBADRM O=C([O-])c1coc(N[C@H]2CC[S@@](=O)C2)n1 ZINC000592976931 411667734 /nfs/dbraw/zinc/66/77/34/411667734.db2.gz LXDLFVLLXIECGH-SPHRHWQCSA-N -1 0 230.245 0.306 20 0 BBADRM O=C([O-])c1coc(N[C@@H]2CC[S@](=O)C2)n1 ZINC000592976939 411666631 /nfs/dbraw/zinc/66/66/31/411666631.db2.gz LXDLFVLLXIECGH-MQWCLQQTSA-N -1 0 230.245 0.306 20 0 BBADRM O=C([O-])c1coc(N[C@@H]2CC[S@@](=O)C2)n1 ZINC000592976940 411666553 /nfs/dbraw/zinc/66/65/53/411666553.db2.gz LXDLFVLLXIECGH-BMSCFWOVSA-N -1 0 230.245 0.306 20 0 BBADRM O=C([O-])c1coc(N[C@H]2CC[S@](=O)C2)n1 ZINC000592976941 411666742 /nfs/dbraw/zinc/66/67/42/411666742.db2.gz LXDLFVLLXIECGH-AANKLQPISA-N -1 0 230.245 0.306 20 0 BBADRM CCOC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000592988437 347837174 /nfs/dbraw/zinc/83/71/74/347837174.db2.gz DPZSMVCRJKKFLF-SSDOTTSWSA-N -1 0 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ZINC000655878216 411151689 /nfs/dbraw/zinc/15/16/89/411151689.db2.gz CBXTXLYKHZVROU-GJMOJQLCSA-N -1 0 246.263 -0.580 20 0 BBADRM CO[C@@H]1COC[C@H]1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655878465 411151566 /nfs/dbraw/zinc/15/15/66/411151566.db2.gz CBXTXLYKHZVROU-BWZBUEFSSA-N -1 0 246.263 -0.580 20 0 BBADRM CO[C@@H]1COC[C@H]1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655878466 411152524 /nfs/dbraw/zinc/15/25/24/411152524.db2.gz CBXTXLYKHZVROU-XLPZGREQSA-N -1 0 246.263 -0.580 20 0 BBADRM CC[C@H](O)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655880487 411152504 /nfs/dbraw/zinc/15/25/04/411152504.db2.gz ATXDMDMLSMAKHM-BQBZGAKWSA-N -1 0 218.253 -0.223 20 0 BBADRM CC[C@H](O)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655880490 411153054 /nfs/dbraw/zinc/15/30/54/411153054.db2.gz ATXDMDMLSMAKHM-RQJHMYQMSA-N -1 0 218.253 -0.223 20 0 BBADRM C[C@H](CNC(=O)N1CC(C)(CO)C1)C(=O)[O-] ZINC000655881334 411152790 /nfs/dbraw/zinc/15/27/90/411152790.db2.gz LEIPXSRDJPSODI-SSDOTTSWSA-N -1 0 230.264 -0.269 20 0 BBADRM 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/nfs/dbraw/zinc/15/28/66/411152866.db2.gz KKGBEZWYLKAJAA-LYFYHCNISA-N -1 0 243.263 -0.730 20 0 BBADRM C[C@H](CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000655882632 411152605 /nfs/dbraw/zinc/15/26/05/411152605.db2.gz KKGBEZWYLKAJAA-QYNIQEEDSA-N -1 0 243.263 -0.730 20 0 BBADRM C[C@@H](CNC(=O)N[C@H]1C[C@@H](O)C1)C(=O)[O-] ZINC000655882685 411152484 /nfs/dbraw/zinc/15/24/84/411152484.db2.gz LWZADGBQEUOZGX-LYFYHCNISA-N -1 0 216.237 -0.470 20 0 BBADRM C[C@H](CNC(=O)N[C@H]1C[C@@H](O)C1)C(=O)[O-] ZINC000655882686 411152835 /nfs/dbraw/zinc/15/28/35/411152835.db2.gz LWZADGBQEUOZGX-QYNIQEEDSA-N -1 0 216.237 -0.470 20 0 BBADRM C[C@@H](CNC(=O)N[C@@H]1CCC[C@H]1O)C(=O)[O-] ZINC000655882983 411152565 /nfs/dbraw/zinc/15/25/65/411152565.db2.gz RVDQFBULRRVKPO-XLPZGREQSA-N -1 0 230.264 -0.080 20 0 BBADRM C[C@@H](CNC(=O)N1CC(CO)C1)C(=O)[O-] ZINC000655883523 411152699 /nfs/dbraw/zinc/15/26/99/411152699.db2.gz AYJHIDAONHZTQU-LURJTMIESA-N -1 0 216.237 -0.659 20 0 BBADRM C[C@H](CNC(=O)N1CC(CO)C1)C(=O)[O-] ZINC000655883524 411152881 /nfs/dbraw/zinc/15/28/81/411152881.db2.gz AYJHIDAONHZTQU-ZCFIWIBFSA-N -1 0 216.237 -0.659 20 0 BBADRM C[C@H](CNC(=O)NCCCCO)C(=O)[O-] ZINC000655883657 411152591 /nfs/dbraw/zinc/15/25/91/411152591.db2.gz DZGWDLYWSFTXHC-SSDOTTSWSA-N -1 0 218.253 -0.221 20 0 BBADRM C[C@@H](CNC(=O)NCCCCO)C(=O)[O-] ZINC000655883658 411152858 /nfs/dbraw/zinc/15/28/58/411152858.db2.gz DZGWDLYWSFTXHC-ZETCQYMHSA-N -1 0 218.253 -0.221 20 0 BBADRM CC[C@@H](CO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655883816 411153406 /nfs/dbraw/zinc/15/34/06/411153406.db2.gz HAVNLZLXSHIKIS-BQBZGAKWSA-N -1 0 218.253 -0.223 20 0 BBADRM CC[C@@H](CO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655883817 411154117 /nfs/dbraw/zinc/15/41/17/411154117.db2.gz HAVNLZLXSHIKIS-RQJHMYQMSA-N -1 0 218.253 -0.223 20 0 BBADRM C[C@@H](O)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655883818 411153691 /nfs/dbraw/zinc/15/36/91/411153691.db2.gz HBUWOJTXCGPWRS-NTSWFWBYSA-N -1 0 204.226 -0.613 20 0 BBADRM C[C@@H](O)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655883819 411154017 /nfs/dbraw/zinc/15/40/17/411154017.db2.gz HBUWOJTXCGPWRS-PHDIDXHHSA-N -1 0 204.226 -0.613 20 0 BBADRM C[C@H](CNC(=O)NC[C@H](C)O)C(=O)[O-] ZINC000655883820 411153627 /nfs/dbraw/zinc/15/36/27/411153627.db2.gz HBUWOJTXCGPWRS-RITPCOANSA-N -1 0 204.226 -0.613 20 0 BBADRM C[C@H](O)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655883821 411153393 /nfs/dbraw/zinc/15/33/93/411153393.db2.gz HBUWOJTXCGPWRS-WDSKDSINSA-N -1 0 204.226 -0.613 20 0 BBADRM C[C@H](CNC(=O)NCC(F)(F)CO)C(=O)[O-] ZINC000655883932 411153922 /nfs/dbraw/zinc/15/39/22/411153922.db2.gz HVORXYOWHCCVKZ-RXMQYKEDSA-N -1 0 240.206 -0.366 20 0 BBADRM C[C@@H](CNC(=O)NCC(F)(F)CO)C(=O)[O-] ZINC000655883938 411153725 /nfs/dbraw/zinc/15/37/25/411153725.db2.gz HVORXYOWHCCVKZ-YFKPBYRVSA-N -1 0 240.206 -0.366 20 0 BBADRM C[C@H](CNC(=O)NCC1(CO)CC1)C(=O)[O-] ZINC000655884050 411153600 /nfs/dbraw/zinc/15/36/00/411153600.db2.gz CLGKTLBAEHDXPR-SSDOTTSWSA-N -1 0 230.264 -0.221 20 0 BBADRM C[C@@H](CNC(=O)NCC1(CO)CC1)C(=O)[O-] ZINC000655884051 411153452 /nfs/dbraw/zinc/15/34/52/411153452.db2.gz CLGKTLBAEHDXPR-ZETCQYMHSA-N -1 0 230.264 -0.221 20 0 BBADRM C[C@H](CNC(=O)NCC1(O)CCC1)C(=O)[O-] ZINC000655884236 411154156 /nfs/dbraw/zinc/15/41/56/411154156.db2.gz DNIGPDWDYYNWKD-SSDOTTSWSA-N -1 0 230.264 -0.079 20 0 BBADRM C[C@@H](CNC(=O)NCC1(O)CCC1)C(=O)[O-] ZINC000655884237 411153935 /nfs/dbraw/zinc/15/39/35/411153935.db2.gz DNIGPDWDYYNWKD-ZETCQYMHSA-N -1 0 230.264 -0.079 20 0 BBADRM C[C@H](CNC(=O)NC[C@]1(O)CCOC1)C(=O)[O-] ZINC000655885105 411153943 /nfs/dbraw/zinc/15/39/43/411153943.db2.gz RGJOECIHFPHVID-GMSGAONNSA-N -1 0 246.263 -0.842 20 0 BBADRM C[C@@H](CNC(=O)NC[C@]1(O)CCOC1)C(=O)[O-] ZINC000655885108 411153487 /nfs/dbraw/zinc/15/34/87/411153487.db2.gz RGJOECIHFPHVID-OIBJUYFYSA-N -1 0 246.263 -0.842 20 0 BBADRM C[C@H](CNC(=O)NC[C@@]1(O)CCOC1)C(=O)[O-] ZINC000655885109 411153949 /nfs/dbraw/zinc/15/39/49/411153949.db2.gz RGJOECIHFPHVID-XCBNKYQSSA-N -1 0 246.263 -0.842 20 0 BBADRM C[C@@H](CNC(=O)NC[C@@]1(O)CCOC1)C(=O)[O-] ZINC000655885110 411153994 /nfs/dbraw/zinc/15/39/94/411153994.db2.gz RGJOECIHFPHVID-XVKPBYJWSA-N -1 0 246.263 -0.842 20 0 BBADRM COCC[C@H](CO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655885226 411153397 /nfs/dbraw/zinc/15/33/97/411153397.db2.gz SHEKLUCGJCFUNB-HTQZYQBOSA-N -1 0 248.279 -0.596 20 0 BBADRM COCC[C@H](CO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655885227 411153638 /nfs/dbraw/zinc/15/36/38/411153638.db2.gz SHEKLUCGJCFUNB-JGVFFNPUSA-N -1 0 248.279 -0.596 20 0 BBADRM COCC[C@@H](CO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655885228 411153732 /nfs/dbraw/zinc/15/37/32/411153732.db2.gz SHEKLUCGJCFUNB-SFYZADRCSA-N -1 0 248.279 -0.596 20 0 BBADRM COCC[C@@H](CO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655885229 411154104 /nfs/dbraw/zinc/15/41/04/411154104.db2.gz SHEKLUCGJCFUNB-YUMQZZPRSA-N -1 0 248.279 -0.596 20 0 BBADRM COC[C@@H](CO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655885308 411154803 /nfs/dbraw/zinc/15/48/03/411154803.db2.gz UHPFYNGDEWLQHY-NKWVEPMBSA-N -1 0 234.252 -0.986 20 0 BBADRM COC[C@@H](CO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655885310 411155070 /nfs/dbraw/zinc/15/50/70/411155070.db2.gz UHPFYNGDEWLQHY-RNFRBKRXSA-N -1 0 234.252 -0.986 20 0 BBADRM C[C@H](CO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655886360 411153596 /nfs/dbraw/zinc/15/35/96/411153596.db2.gz YBOBBFUIRDVNBX-NTSWFWBYSA-N -1 0 204.226 -0.613 20 0 BBADRM C[C@H](CO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655886361 411153645 /nfs/dbraw/zinc/15/36/45/411153645.db2.gz YBOBBFUIRDVNBX-PHDIDXHHSA-N -1 0 204.226 -0.613 20 0 BBADRM C[C@H](CNC(=O)N[C@@H](C)CO)C(=O)[O-] ZINC000655886362 411153612 /nfs/dbraw/zinc/15/36/12/411153612.db2.gz YBOBBFUIRDVNBX-RITPCOANSA-N -1 0 204.226 -0.613 20 0 BBADRM C[C@@H](CO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655886363 411154041 /nfs/dbraw/zinc/15/40/41/411154041.db2.gz YBOBBFUIRDVNBX-WDSKDSINSA-N -1 0 204.226 -0.613 20 0 BBADRM CC[C@H](CO)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000655886890 411154749 /nfs/dbraw/zinc/15/47/49/411154749.db2.gz HAVNLZLXSHIKIS-NKWVEPMBSA-N -1 0 218.253 -0.223 20 0 BBADRM CC[C@H](CO)NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655886891 411154560 /nfs/dbraw/zinc/15/45/60/411154560.db2.gz HAVNLZLXSHIKIS-RNFRBKRXSA-N -1 0 218.253 -0.223 20 0 BBADRM C[C@H](CNC(=O)NC1(CO)CCC1)C(=O)[O-] ZINC000655886946 411154693 /nfs/dbraw/zinc/15/46/93/411154693.db2.gz HXKJYZUZLPUCTC-SSDOTTSWSA-N -1 0 230.264 -0.079 20 0 BBADRM C[C@@H](CNC(=O)NC1(CO)CCC1)C(=O)[O-] ZINC000655886947 411154625 /nfs/dbraw/zinc/15/46/25/411154625.db2.gz HXKJYZUZLPUCTC-ZETCQYMHSA-N -1 0 230.264 -0.079 20 0 BBADRM C[C@H](CNC(=O)NC[C@@H](O)C1CC1)C(=O)[O-] ZINC000655886992 411154603 /nfs/dbraw/zinc/15/46/03/411154603.db2.gz JOPBDRNNKIZEJN-HTRCEHHLSA-N -1 0 230.264 -0.223 20 0 BBADRM C[C@@H](CNC(=O)NC[C@@H](O)C1CC1)C(=O)[O-] ZINC000655886993 411155110 /nfs/dbraw/zinc/15/51/10/411155110.db2.gz JOPBDRNNKIZEJN-POYBYMJQSA-N -1 0 230.264 -0.223 20 0 BBADRM C[C@H](CNC(=O)NC[C@H](O)C1CC1)C(=O)[O-] ZINC000655886994 411154600 /nfs/dbraw/zinc/15/46/00/411154600.db2.gz JOPBDRNNKIZEJN-SVRRBLITSA-N -1 0 230.264 -0.223 20 0 BBADRM C[C@@H](CNC(=O)NC[C@H](O)C1CC1)C(=O)[O-] ZINC000655886995 411154672 /nfs/dbraw/zinc/15/46/72/411154672.db2.gz JOPBDRNNKIZEJN-XPUUQOCRSA-N -1 0 230.264 -0.223 20 0 BBADRM COC[C@](C)(O)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655887014 411154665 /nfs/dbraw/zinc/15/46/65/411154665.db2.gz JVPJOWWRMXWXRT-GMSGAONNSA-N -1 0 248.279 -0.596 20 0 BBADRM COC[C@](C)(O)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655887015 411154564 /nfs/dbraw/zinc/15/45/64/411154564.db2.gz JVPJOWWRMXWXRT-OIBJUYFYSA-N -1 0 248.279 -0.596 20 0 BBADRM COC[C@@](C)(O)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655887016 411154622 /nfs/dbraw/zinc/15/46/22/411154622.db2.gz JVPJOWWRMXWXRT-XCBNKYQSSA-N -1 0 248.279 -0.596 20 0 BBADRM COC[C@@](C)(O)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655887017 411154700 /nfs/dbraw/zinc/15/47/00/411154700.db2.gz JVPJOWWRMXWXRT-XVKPBYJWSA-N -1 0 248.279 -0.596 20 0 BBADRM C[C@@H](O)CCNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655887378 411154597 /nfs/dbraw/zinc/15/45/97/411154597.db2.gz MCTXKKZINVLMBB-NKWVEPMBSA-N -1 0 218.253 -0.223 20 0 BBADRM C[C@@H](O)CCNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655887379 411155048 /nfs/dbraw/zinc/15/50/48/411155048.db2.gz MCTXKKZINVLMBB-RNFRBKRXSA-N -1 0 218.253 -0.223 20 0 BBADRM C[C@H](CO)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655887720 411155064 /nfs/dbraw/zinc/15/50/64/411155064.db2.gz CVNWELPDBBAVIN-BQBZGAKWSA-N -1 0 218.253 -0.365 20 0 BBADRM C[C@H](CNC(=O)NC[C@H](C)CO)C(=O)[O-] ZINC000655887723 411154599 /nfs/dbraw/zinc/15/45/99/411154599.db2.gz CVNWELPDBBAVIN-NKWVEPMBSA-N -1 0 218.253 -0.365 20 0 BBADRM C[C@@H](CO)CNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655887724 411154723 /nfs/dbraw/zinc/15/47/23/411154723.db2.gz CVNWELPDBBAVIN-RNFRBKRXSA-N -1 0 218.253 -0.365 20 0 BBADRM C[C@@H](CO)CNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655887726 411154957 /nfs/dbraw/zinc/15/49/57/411154957.db2.gz CVNWELPDBBAVIN-RQJHMYQMSA-N -1 0 218.253 -0.365 20 0 BBADRM C[C@@H](CNC(=O)NCC(C)(C)O)C(=O)[O-] ZINC000655887740 411154719 /nfs/dbraw/zinc/15/47/19/411154719.db2.gz PBYXPRSDPSHPQU-LURJTMIESA-N -1 0 218.253 -0.223 20 0 BBADRM C[C@H](CNC(=O)NCC(C)(C)O)C(=O)[O-] ZINC000655887741 411154827 /nfs/dbraw/zinc/15/48/27/411154827.db2.gz PBYXPRSDPSHPQU-ZCFIWIBFSA-N -1 0 218.253 -0.223 20 0 BBADRM C[C@H](CNC(=O)N(C)C1CC(O)C1)C(=O)[O-] ZINC000655888826 411154850 /nfs/dbraw/zinc/15/48/50/411154850.db2.gz MCAPDZKUOHBUND-JECWYVHBSA-N -1 0 230.264 -0.128 20 0 BBADRM C[C@@H](CNC(=O)N(C)C1CC(O)C1)C(=O)[O-] ZINC000655888829 411154895 /nfs/dbraw/zinc/15/48/95/411154895.db2.gz MCAPDZKUOHBUND-KKMMWDRVSA-N -1 0 230.264 -0.128 20 0 BBADRM COC[C@H](O)CCNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655889817 411154655 /nfs/dbraw/zinc/15/46/55/411154655.db2.gz VTHBNDVMRLKQBA-HTQZYQBOSA-N -1 0 248.279 -0.596 20 0 BBADRM COC[C@H](O)CCNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655889818 411154577 /nfs/dbraw/zinc/15/45/77/411154577.db2.gz VTHBNDVMRLKQBA-JGVFFNPUSA-N -1 0 248.279 -0.596 20 0 BBADRM COC[C@@H](O)CCNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000655889819 411154679 /nfs/dbraw/zinc/15/46/79/411154679.db2.gz VTHBNDVMRLKQBA-SFYZADRCSA-N -1 0 248.279 -0.596 20 0 BBADRM COC[C@@H](O)CCNC(=O)NC[C@H](C)C(=O)[O-] ZINC000655889820 411155104 /nfs/dbraw/zinc/15/51/04/411155104.db2.gz VTHBNDVMRLKQBA-YUMQZZPRSA-N -1 0 248.279 -0.596 20 0 BBADRM CC(C)[C@@H](CNC(=O)N1CC(CO)C1)C(=O)[O-] ZINC000655899138 488018121 /nfs/dbraw/zinc/01/81/21/488018121.db2.gz ZICVEYFYHZLJKA-SECBINFHSA-N -1 0 244.291 -0.023 20 0 BBADRM CC(C)[C@H](CNC(=O)N1CC(CO)C1)C(=O)[O-] ZINC000655899139 488018205 /nfs/dbraw/zinc/01/82/05/488018205.db2.gz ZICVEYFYHZLJKA-VIFPVBQESA-N -1 0 244.291 -0.023 20 0 BBADRM CCN(CC(=O)NCC(=O)[O-])c1cnn(C)c1 ZINC000655934736 411159333 /nfs/dbraw/zinc/15/93/33/411159333.db2.gz VIIRNYXXMMGQRG-UHFFFAOYSA-N -1 0 240.263 -0.553 20 0 BBADRM CC(C)CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655975400 411165547 /nfs/dbraw/zinc/16/55/47/411165547.db2.gz NLNNHEQSQQYRRG-MRVPVSSYSA-N -1 0 244.291 -0.014 20 0 BBADRM CC(C)CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655975401 411165177 /nfs/dbraw/zinc/16/51/77/411165177.db2.gz NLNNHEQSQQYRRG-QMMMGPOBSA-N -1 0 244.291 -0.014 20 0 BBADRM C[C@H](CNC(=O)C(=O)NC1CCCC1)C(=O)[O-] ZINC000655975928 411165453 /nfs/dbraw/zinc/16/54/53/411165453.db2.gz SBWHFJKOHJLLJY-SSDOTTSWSA-N -1 0 242.275 -0.118 20 0 BBADRM C[C@@H](CNC(=O)C(=O)NC1CCCC1)C(=O)[O-] ZINC000655975929 411165064 /nfs/dbraw/zinc/16/50/64/411165064.db2.gz SBWHFJKOHJLLJY-ZETCQYMHSA-N -1 0 242.275 -0.118 20 0 BBADRM C[C@H](CNC(=O)C(=O)NCC(C)(C)C)C(=O)[O-] ZINC000655980406 411165748 /nfs/dbraw/zinc/16/57/48/411165748.db2.gz FTKPLHJBRFIOGU-SSDOTTSWSA-N -1 0 244.291 -0.014 20 0 BBADRM C[C@@H](CNC(=O)C(=O)NCC(C)(C)C)C(=O)[O-] ZINC000655980411 411166010 /nfs/dbraw/zinc/16/60/10/411166010.db2.gz FTKPLHJBRFIOGU-ZETCQYMHSA-N -1 0 244.291 -0.014 20 0 BBADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CC1(C)C)C(=O)[O-] ZINC000655980788 411166305 /nfs/dbraw/zinc/16/63/05/411166305.db2.gz JGIDQYTWAXGQJN-BQBZGAKWSA-N -1 0 242.275 -0.262 20 0 BBADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CC1(C)C)C(=O)[O-] ZINC000655980789 411166127 /nfs/dbraw/zinc/16/61/27/411166127.db2.gz JGIDQYTWAXGQJN-NKWVEPMBSA-N -1 0 242.275 -0.262 20 0 BBADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CC1(C)C)C(=O)[O-] ZINC000655980790 411166064 /nfs/dbraw/zinc/16/60/64/411166064.db2.gz JGIDQYTWAXGQJN-RNFRBKRXSA-N -1 0 242.275 -0.262 20 0 BBADRM C[C@H](CNC(=O)C(=O)N[C@H]1CC1(C)C)C(=O)[O-] ZINC000655980791 411165877 /nfs/dbraw/zinc/16/58/77/411165877.db2.gz JGIDQYTWAXGQJN-RQJHMYQMSA-N -1 0 242.275 -0.262 20 0 BBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]1C)C(=O)[O-] ZINC000655981378 411166449 /nfs/dbraw/zinc/16/64/49/411166449.db2.gz KIRBRDLWXQYMMX-BWZBUEFSSA-N -1 0 242.275 -0.405 20 0 BBADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1C[C@H]1C)C(=O)[O-] ZINC000655981380 411165898 /nfs/dbraw/zinc/16/58/98/411165898.db2.gz KIRBRDLWXQYMMX-PRJMDXOYSA-N -1 0 242.275 -0.405 20 0 BBADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1C[C@@H]1C)C(=O)[O-] ZINC000655981381 411165819 /nfs/dbraw/zinc/16/58/19/411165819.db2.gz KIRBRDLWXQYMMX-RNJXMRFFSA-N -1 0 242.275 -0.405 20 0 BBADRM C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]1C)C(=O)[O-] ZINC000655981383 411166096 /nfs/dbraw/zinc/16/60/96/411166096.db2.gz KIRBRDLWXQYMMX-XLPZGREQSA-N -1 0 242.275 -0.405 20 0 BBADRM C[C@@H](CNC(=O)C(=O)NC1CCC1)C(=O)[O-] ZINC000655981390 411166207 /nfs/dbraw/zinc/16/62/07/411166207.db2.gz KKHYUDWEYXTIEM-LURJTMIESA-N -1 0 228.248 -0.508 20 0 BBADRM C[C@H](CNC(=O)C(=O)NC1CCC1)C(=O)[O-] ZINC000655981391 411166061 /nfs/dbraw/zinc/16/60/61/411166061.db2.gz KKHYUDWEYXTIEM-ZCFIWIBFSA-N -1 0 228.248 -0.508 20 0 BBADRM C[C@H](CNC(=O)C(=O)NCC1CCC1)C(=O)[O-] ZINC000655981723 411166493 /nfs/dbraw/zinc/16/64/93/411166493.db2.gz NZNBZUBDYBTDNU-SSDOTTSWSA-N -1 0 242.275 -0.260 20 0 BBADRM C[C@@H](CNC(=O)C(=O)NCC1CCC1)C(=O)[O-] ZINC000655981725 411166446 /nfs/dbraw/zinc/16/64/46/411166446.db2.gz NZNBZUBDYBTDNU-ZETCQYMHSA-N -1 0 242.275 -0.260 20 0 BBADRM C[C@@H](CNC(=O)C(=O)NC1CC(C)C1)C(=O)[O-] ZINC000655985942 411166497 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ZINC000655988938 411165821 /nfs/dbraw/zinc/16/58/21/411165821.db2.gz VALOZVUBNIWMBB-SSDOTTSWSA-N -1 0 242.275 -0.260 20 0 BBADRM C[C@@H](CNC(=O)C(=O)NCCC1CC1)C(=O)[O-] ZINC000655988940 411166500 /nfs/dbraw/zinc/16/65/00/411166500.db2.gz VALOZVUBNIWMBB-ZETCQYMHSA-N -1 0 242.275 -0.260 20 0 BBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655996268 488027930 /nfs/dbraw/zinc/02/79/30/488027930.db2.gz OZAZYAIMFNOUSF-BWZBUEFSSA-N -1 0 242.275 -0.262 20 0 BBADRM CC[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655996269 488028083 /nfs/dbraw/zinc/02/80/83/488028083.db2.gz OZAZYAIMFNOUSF-XLPZGREQSA-N -1 0 242.275 -0.262 20 0 BBADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C)C(=O)[O-] ZINC000655999378 411167471 /nfs/dbraw/zinc/16/74/71/411167471.db2.gz FPXZQALJQNNLGZ-HTQZYQBOSA-N -1 0 242.275 -0.166 20 0 BBADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C)C(=O)[O-] ZINC000655999379 411167482 /nfs/dbraw/zinc/16/74/82/411167482.db2.gz FPXZQALJQNNLGZ-JGVFFNPUSA-N -1 0 242.275 -0.166 20 0 BBADRM 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20 0 BBADRM CO[C@](C)(CO)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000702451473 712053812 /nfs/dbraw/zinc/05/38/12/712053812.db2.gz NPROQNMQSOVFSN-XSSZXYGBSA-N -1 0 231.248 -0.779 20 0 BBADRM CO[C@](C)(CO)CNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000702454061 712053824 /nfs/dbraw/zinc/05/38/24/712053824.db2.gz AQZAXQPONSDZGU-FYBVGQRMSA-N -1 0 245.275 -0.389 20 0 BBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCC1CC(O)C1 ZINC000702478181 712054706 /nfs/dbraw/zinc/05/47/06/712054706.db2.gz FLCGQDDSMYALGI-GEPGNKONSA-N -1 0 227.260 -0.016 20 0 BBADRM O=C([O-])[C@H]1C[C@H]1C(=O)NCCC1CC(O)C1 ZINC000702478188 712054607 /nfs/dbraw/zinc/05/46/07/712054607.db2.gz FLCGQDDSMYALGI-YNTFGVKOSA-N -1 0 227.260 -0.016 20 0 BBADRM COC[C@H](OC)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000702558382 712055066 /nfs/dbraw/zinc/05/50/66/712055066.db2.gz HPWPFGZFLKIRLD-BDAKNGLRSA-N -1 0 243.259 -0.063 20 0 BBADRM COC[C@@H](OC)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000702558387 712055042 /nfs/dbraw/zinc/05/50/42/712055042.db2.gz HPWPFGZFLKIRLD-DTWKUNHWSA-N -1 0 243.259 -0.063 20 0 BBADRM COC[C@H](OC)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000702558391 712055083 /nfs/dbraw/zinc/05/50/83/712055083.db2.gz HPWPFGZFLKIRLD-IUCAKERBSA-N -1 0 243.259 -0.063 20 0 BBADRM COC[C@@H](OC)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000702558393 712055166 /nfs/dbraw/zinc/05/51/66/712055166.db2.gz HPWPFGZFLKIRLD-RKDXNWHRSA-N -1 0 243.259 -0.063 20 0 BBADRM COC(=O)Cc1c[n-]n(-c2ccnn2C)c1=O ZINC000702800252 712061223 /nfs/dbraw/zinc/06/12/23/712061223.db2.gz KVAWXWVPWOKJAB-SSDOTTSWSA-N -1 0 236.231 -0.068 20 0 BBADRM COC(=O)Cc1c[n-]n(-c2ccnn2C)c1=O ZINC000702800253 712061450 /nfs/dbraw/zinc/06/14/50/712061450.db2.gz KVAWXWVPWOKJAB-ZETCQYMHSA-N -1 0 236.231 -0.068 20 0 BBADRM C[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000702945700 712062014 /nfs/dbraw/zinc/06/20/14/712062014.db2.gz GEZDABUIVNBNDB-BGZDPUMWSA-N -1 0 243.259 -0.230 20 0 BBADRM C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000702945702 712061796 /nfs/dbraw/zinc/06/17/96/712061796.db2.gz GEZDABUIVNBNDB-HXFLIBJXSA-N -1 0 243.259 -0.230 20 0 BBADRM C[C@H]1CCO[C@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000702945703 712062297 /nfs/dbraw/zinc/06/22/97/712062297.db2.gz GEZDABUIVNBNDB-KDXUFGMBSA-N -1 0 243.259 -0.230 20 0 BBADRM C[C@H]1CCO[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000702945705 712062292 /nfs/dbraw/zinc/06/22/92/712062292.db2.gz GEZDABUIVNBNDB-KZVJFYERSA-N -1 0 243.259 -0.230 20 0 BBADRM C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000702947692 712061843 /nfs/dbraw/zinc/06/18/43/712061843.db2.gz IFVFNCYKCUSSMJ-MAUMQABQSA-N -1 0 243.259 -0.230 20 0 BBADRM C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])O1 ZINC000702948903 712062257 /nfs/dbraw/zinc/06/22/57/712062257.db2.gz WQDJADKMWLTNRM-BGZDPUMWSA-N -1 0 243.259 -0.088 20 0 BBADRM CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000702956654 711679355 /nfs/dbraw/zinc/67/93/55/711679355.db2.gz OFZCSVFAUNOOEL-XUTVFYLZSA-N -1 0 229.232 -0.620 20 0 BBADRM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)Cn1cccn1 ZINC000702960537 712063878 /nfs/dbraw/zinc/06/38/78/712063878.db2.gz HXERWFWXCPMXPY-IONNQARKSA-N -1 0 239.231 -0.759 20 0 BBADRM C[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000703004520 712063818 /nfs/dbraw/zinc/06/38/18/712063818.db2.gz IFVFNCYKCUSSMJ-BGZDPUMWSA-N -1 0 243.259 -0.230 20 0 BBADRM C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000703004521 711679323 /nfs/dbraw/zinc/67/93/23/711679323.db2.gz IFVFNCYKCUSSMJ-KDXUFGMBSA-N -1 0 243.259 -0.230 20 0 BBADRM C[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000703004522 712063848 /nfs/dbraw/zinc/06/38/48/712063848.db2.gz IFVFNCYKCUSSMJ-XAVMHZPKSA-N -1 0 243.259 -0.230 20 0 BBADRM C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])O1 ZINC000703004653 712063964 /nfs/dbraw/zinc/06/39/64/712063964.db2.gz WQDJADKMWLTNRM-HXFLIBJXSA-N -1 0 243.259 -0.088 20 0 BBADRM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])O1 ZINC000703004654 712064050 /nfs/dbraw/zinc/06/40/50/712064050.db2.gz WQDJADKMWLTNRM-KDXUFGMBSA-N -1 0 243.259 -0.088 20 0 BBADRM C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])O1 ZINC000703004655 712064206 /nfs/dbraw/zinc/06/42/06/712064206.db2.gz WQDJADKMWLTNRM-KZVJFYERSA-N -1 0 243.259 -0.088 20 0 BBADRM COC1(C(=O)N(C)CC(=O)[O-])CCOCC1 ZINC000703037579 712065585 /nfs/dbraw/zinc/06/55/85/712065585.db2.gz AQDOJYZHHUBMSR-UHFFFAOYSA-N -1 0 231.248 -0.275 20 0 BBADRM CO[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1CC1 ZINC000703040557 712066001 /nfs/dbraw/zinc/06/60/01/712066001.db2.gz FCLKRZIIURXJLO-GMSGAONNSA-N -1 0 231.248 -0.637 20 0 BBADRM CO[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1CC1 ZINC000703040558 712066035 /nfs/dbraw/zinc/06/60/35/712066035.db2.gz FCLKRZIIURXJLO-OIBJUYFYSA-N -1 0 231.248 -0.637 20 0 BBADRM CO[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1CC1 ZINC000703040568 712065792 /nfs/dbraw/zinc/06/57/92/712065792.db2.gz FCLKRZIIURXJLO-XCBNKYQSSA-N -1 0 231.248 -0.637 20 0 BBADRM CO[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1CC1 ZINC000703040569 712066032 /nfs/dbraw/zinc/06/60/32/712066032.db2.gz FCLKRZIIURXJLO-XVKPBYJWSA-N -1 0 231.248 -0.637 20 0 BBADRM CCCNS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000703043258 712065841 /nfs/dbraw/zinc/06/58/41/712065841.db2.gz QOMIYDPMIVLFQE-LJGSYFOKSA-N -1 0 236.293 -0.316 20 0 BBADRM CN(CCO)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000703047374 712066025 /nfs/dbraw/zinc/06/60/25/712066025.db2.gz NQUXYRNVCMJGNW-LJGSYFOKSA-N -1 0 216.237 -0.517 20 0 BBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)N[C@@H]1CCOC1 ZINC000703064631 712066048 /nfs/dbraw/zinc/06/60/48/712066048.db2.gz RISQSKSGSUWWEM-BWZBUEFSSA-N -1 0 228.248 -0.062 20 0 BBADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)N[C@H]1CCOC1 ZINC000703064632 712066052 /nfs/dbraw/zinc/06/60/52/712066052.db2.gz RISQSKSGSUWWEM-FXQIFTODSA-N -1 0 228.248 -0.062 20 0 BBADRM O=C(CN1CCCC1=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000703190826 712067822 /nfs/dbraw/zinc/06/78/22/712067822.db2.gz VSTNRRXTQCLJDV-ZKCHVHJHSA-N -1 0 240.259 -0.412 20 0 BBADRM COC1CC(C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC000703442538 712075069 /nfs/dbraw/zinc/07/50/69/712075069.db2.gz UCIWSEQXQKFVIX-HNQUHTCLSA-N -1 0 231.248 -0.637 20 0 BBADRM COC1CC(C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC000703442541 712075210 /nfs/dbraw/zinc/07/52/10/712075210.db2.gz UCIWSEQXQKFVIX-QIMWKCOFSA-N -1 0 231.248 -0.637 20 0 BBADRM COC1CC(C(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC000703451742 712075913 /nfs/dbraw/zinc/07/59/13/712075913.db2.gz OHNFONUTFWANNG-AMDVSUOASA-N -1 0 243.259 -0.277 20 0 BBADRM COC1CC(C(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC000703451744 712075854 /nfs/dbraw/zinc/07/58/54/712075854.db2.gz OHNFONUTFWANNG-HACHORDNSA-N -1 0 243.259 -0.277 20 0 BBADRM O=C([O-])C1CC(NC(=O)Cn2cccn2)C1 ZINC000703457861 712076100 /nfs/dbraw/zinc/07/61/00/712076100.db2.gz LYIRATRALSRKSQ-UHFFFAOYSA-N -1 0 223.232 -0.138 20 0 BBADRM O=C(CCn1ccnn1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000703466581 712075811 /nfs/dbraw/zinc/07/58/11/712075811.db2.gz LVXWVZNESCPOIQ-OCAPTIKFSA-N -1 0 238.247 -0.352 20 0 BBADRM COC1CC(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC000703488806 712076825 /nfs/dbraw/zinc/07/68/25/712076825.db2.gz SBFXIEHEQFFROO-AYVLWNQUSA-N -1 0 243.259 -0.541 20 0 BBADRM COC1CC(C(=O)N2CC[C@](O)(C(=O)[O-])C2)C1 ZINC000703488807 712076832 /nfs/dbraw/zinc/07/68/32/712076832.db2.gz SBFXIEHEQFFROO-OIAXGBPSSA-N -1 0 243.259 -0.541 20 0 BBADRM O=C([O-])C1CC(NC(=O)N[C@H]2CCOC2)C1 ZINC000703518666 712078047 /nfs/dbraw/zinc/07/80/47/712078047.db2.gz RISQSKSGSUWWEM-WTIBDHCWSA-N -1 0 228.248 -0.062 20 0 BBADRM O=C([O-])C1CC(NC(=O)N[C@@H]2CCOC2)C1 ZINC000703518668 712078083 /nfs/dbraw/zinc/07/80/83/712078083.db2.gz RISQSKSGSUWWEM-ZUEIMRROSA-N -1 0 228.248 -0.062 20 0 BBADRM O=C([O-])C1CC(NC(=O)[C@@H]2CSC(=O)N2)C1 ZINC000703533210 712077982 /nfs/dbraw/zinc/07/79/82/712077982.db2.gz PIBAJSLVJVXXOK-WRVKLSGPSA-N -1 0 244.272 -0.209 20 0 BBADRM C[C@H](C(=O)NC1CC(C(=O)[O-])C1)S(C)(=O)=O ZINC000703533995 712078028 /nfs/dbraw/zinc/07/80/28/712078028.db2.gz UMZOIUAGHJOTSN-GRQBKTHUSA-N -1 0 249.288 -0.601 20 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CC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000708023271 712174513 /nfs/dbraw/zinc/17/45/13/712174513.db2.gz XWQVNCUGJOQZQR-RKDXNWHRSA-N -1 0 242.275 -0.023 20 0 BBADRM O=C(NCc1nnn[n-]1)c1cn2c(n1)CCCC2 ZINC000708289266 712185563 /nfs/dbraw/zinc/18/55/63/712185563.db2.gz SDQFUZJRNSYLBV-UHFFFAOYSA-N -1 0 247.262 -0.338 20 0 BBADRM CN(CC(C)(CO)CO)C(=O)C1(C(=O)[O-])CC1 ZINC000708354096 712190209 /nfs/dbraw/zinc/19/02/09/712190209.db2.gz ISBVIMOUBAQSDC-UHFFFAOYSA-N -1 0 245.275 -0.700 20 0 BBADRM COCCO[N-]C(=O)C1=NC(=O)N(C)C1 ZINC000708377508 712190820 /nfs/dbraw/zinc/19/08/20/712190820.db2.gz DCLMSELYPYKICF-UHFFFAOYSA-N -1 0 215.209 -0.567 20 0 BBADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CCO)CC1CC1 ZINC000708474364 604868132 /nfs/dbraw/zinc/86/81/32/604868132.db2.gz SNLJWPYDFZBGSP-DTWKUNHWSA-N -1 0 227.260 -0.062 20 0 BBADRM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CCO)CC1CC1 ZINC000708474366 604867673 /nfs/dbraw/zinc/86/76/73/604867673.db2.gz SNLJWPYDFZBGSP-IUCAKERBSA-N -1 0 227.260 -0.062 20 0 BBADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CC1CC1 ZINC000708474368 604868045 /nfs/dbraw/zinc/86/80/45/604868045.db2.gz SNLJWPYDFZBGSP-RKDXNWHRSA-N -1 0 227.260 -0.062 20 0 BBADRM O=C([O-])CCNC(=O)N(CCO)CC1CC1 ZINC000708497025 597293503 /nfs/dbraw/zinc/29/35/03/597293503.db2.gz JAMXWDARESMUFS-UHFFFAOYSA-N -1 0 230.264 -0.125 20 0 BBADRM CCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1=O ZINC000708551987 712212848 /nfs/dbraw/zinc/21/28/48/712212848.db2.gz PDFQRWRQQLSNOT-GJMOJQLCSA-N -1 0 240.259 -0.556 20 0 BBADRM CN(c1ccc(C(=O)[O-])cn1)[C@@H]1COC[C@H]1O ZINC000708593542 712214289 /nfs/dbraw/zinc/21/42/89/712214289.db2.gz CDDODQXCMSXMTR-RKDXNWHRSA-N -1 0 238.243 -0.024 20 0 BBADRM CCN1CC[C@H](NC(=O)[C@H](C)C(=O)[O-])C1=O ZINC000708618594 712195877 /nfs/dbraw/zinc/19/58/77/712195877.db2.gz BRIHRYOCSYPCLK-BQBZGAKWSA-N -1 0 228.248 -0.556 20 0 BBADRM CCN1CC[C@@H](NC(=O)[C@H](C)C(=O)[O-])C1=O ZINC000708618597 712195582 /nfs/dbraw/zinc/19/55/82/712195582.db2.gz BRIHRYOCSYPCLK-NKWVEPMBSA-N -1 0 228.248 -0.556 20 0 BBADRM CCN1CC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C1=O ZINC000708618600 712195570 /nfs/dbraw/zinc/19/55/70/712195570.db2.gz BRIHRYOCSYPCLK-RNFRBKRXSA-N -1 0 228.248 -0.556 20 0 BBADRM CCN1CC[C@H](NC(=O)[C@@H](C)C(=O)[O-])C1=O ZINC000708618601 712195853 /nfs/dbraw/zinc/19/58/53/712195853.db2.gz BRIHRYOCSYPCLK-RQJHMYQMSA-N -1 0 228.248 -0.556 20 0 BBADRM CCN1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])C1=O ZINC000708643223 712195581 /nfs/dbraw/zinc/19/55/81/712195581.db2.gz JDIXACRTBDXVKI-SSDOTTSWSA-N -1 0 242.275 -0.166 20 0 BBADRM CCN1CC[C@H](NC(=O)C(C)(C)C(=O)[O-])C1=O ZINC000708643226 712196080 /nfs/dbraw/zinc/19/60/80/712196080.db2.gz JDIXACRTBDXVKI-ZETCQYMHSA-N -1 0 242.275 -0.166 20 0 BBADRM CCN1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)C1=O ZINC000708643241 712196525 /nfs/dbraw/zinc/19/65/25/712196525.db2.gz KDUHZDNQBOLOEJ-SSDOTTSWSA-N -1 0 240.259 -0.412 20 0 BBADRM CCN1CC[C@H](NC(=O)C2(C(=O)[O-])CC2)C1=O ZINC000708643245 712196057 /nfs/dbraw/zinc/19/60/57/712196057.db2.gz KDUHZDNQBOLOEJ-ZETCQYMHSA-N -1 0 240.259 -0.412 20 0 BBADRM C[C@H](CNC(=O)N(C)[C@@H]1COC[C@H]1O)C(=O)[O-] ZINC000708651385 712196523 /nfs/dbraw/zinc/19/65/23/712196523.db2.gz KZOGREYFWMBTBT-BWZBUEFSSA-N -1 0 246.263 -0.892 20 0 BBADRM C[C@@H](CNC(=O)N(C)[C@@H]1COC[C@H]1O)C(=O)[O-] ZINC000708651386 712196379 /nfs/dbraw/zinc/19/63/79/712196379.db2.gz KZOGREYFWMBTBT-XLPZGREQSA-N -1 0 246.263 -0.892 20 0 BBADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CON)C1 ZINC000708680376 712196774 /nfs/dbraw/zinc/19/67/74/712196774.db2.gz DHIQSWJSMKUZSZ-BQBZGAKWSA-N -1 0 216.237 -0.554 20 0 BBADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CON)C1 ZINC000708680377 711961448 /nfs/dbraw/zinc/96/14/48/711961448.db2.gz DHIQSWJSMKUZSZ-NKWVEPMBSA-N -1 0 216.237 -0.554 20 0 BBADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CON)C1 ZINC000708680378 712196796 /nfs/dbraw/zinc/19/67/96/712196796.db2.gz DHIQSWJSMKUZSZ-RNFRBKRXSA-N -1 0 216.237 -0.554 20 0 BBADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CON)C1 ZINC000708680379 712196784 /nfs/dbraw/zinc/19/67/84/712196784.db2.gz DHIQSWJSMKUZSZ-RQJHMYQMSA-N -1 0 216.237 -0.554 20 0 BBADRM C[C@H](C(=O)[O-])N(C(=O)CON)C1CC1 ZINC000708690429 712196787 /nfs/dbraw/zinc/19/67/87/712196787.db2.gz AQHXQUZQYSZPFN-RXMQYKEDSA-N -1 0 202.210 -0.659 20 0 BBADRM C[C@@H](C(=O)[O-])N(C(=O)CON)C1CC1 ZINC000708690431 712196943 /nfs/dbraw/zinc/19/69/43/712196943.db2.gz AQHXQUZQYSZPFN-YFKPBYRVSA-N -1 0 202.210 -0.659 20 0 BBADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CON ZINC000708694364 712196861 /nfs/dbraw/zinc/19/68/61/712196861.db2.gz OTNAYSIASMLKBE-BQBZGAKWSA-N -1 0 216.237 -0.412 20 0 BBADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CON ZINC000708694367 712196891 /nfs/dbraw/zinc/19/68/91/712196891.db2.gz OTNAYSIASMLKBE-NKWVEPMBSA-N -1 0 216.237 -0.412 20 0 BBADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CON ZINC000708694370 712196964 /nfs/dbraw/zinc/19/69/64/712196964.db2.gz OTNAYSIASMLKBE-RNFRBKRXSA-N -1 0 216.237 -0.412 20 0 BBADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CON ZINC000708694372 712196802 /nfs/dbraw/zinc/19/68/02/712196802.db2.gz OTNAYSIASMLKBE-RQJHMYQMSA-N -1 0 216.237 -0.412 20 0 BBADRM C[C@@H]1CCCN(C(=O)CON)[C@H]1C(=O)[O-] ZINC000708745460 712198231 /nfs/dbraw/zinc/19/82/31/712198231.db2.gz AMZORZSNBLPBPZ-HTRCEHHLSA-N -1 0 216.237 -0.412 20 0 BBADRM C[C@H]1CCCN(C(=O)CON)[C@H]1C(=O)[O-] ZINC000708745462 712198180 /nfs/dbraw/zinc/19/81/80/712198180.db2.gz AMZORZSNBLPBPZ-POYBYMJQSA-N -1 0 216.237 -0.412 20 0 BBADRM C[C@@H]1CCCN(C(=O)CON)[C@@H]1C(=O)[O-] ZINC000708745464 712198323 /nfs/dbraw/zinc/19/83/23/712198323.db2.gz AMZORZSNBLPBPZ-SVRRBLITSA-N -1 0 216.237 -0.412 20 0 BBADRM C[C@H]1CCCN(C(=O)CON)[C@@H]1C(=O)[O-] ZINC000708745467 712198247 /nfs/dbraw/zinc/19/82/47/712198247.db2.gz AMZORZSNBLPBPZ-XPUUQOCRSA-N -1 0 216.237 -0.412 20 0 BBADRM NOCC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000708747825 712198010 /nfs/dbraw/zinc/19/80/10/712198010.db2.gz LZJUXWCCWYWKLH-SSDOTTSWSA-N -1 0 216.237 -0.268 20 0 BBADRM NOCC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000708747826 712198173 /nfs/dbraw/zinc/19/81/73/712198173.db2.gz LZJUXWCCWYWKLH-ZETCQYMHSA-N -1 0 216.237 -0.268 20 0 BBADRM C[C@H]1CCN(C(=O)CON)C[C@@H]1C(=O)[O-] ZINC000708753217 712198267 /nfs/dbraw/zinc/19/82/67/712198267.db2.gz CYBKGQQUEPTSNI-BQBZGAKWSA-N -1 0 216.237 -0.554 20 0 BBADRM C[C@H]1CCN(C(=O)CON)C[C@H]1C(=O)[O-] ZINC000708753218 712198199 /nfs/dbraw/zinc/19/81/99/712198199.db2.gz CYBKGQQUEPTSNI-NKWVEPMBSA-N -1 0 216.237 -0.554 20 0 BBADRM C[C@@H]1CCN(C(=O)CON)C[C@H]1C(=O)[O-] ZINC000708753220 712198246 /nfs/dbraw/zinc/19/82/46/712198246.db2.gz CYBKGQQUEPTSNI-RNFRBKRXSA-N -1 0 216.237 -0.554 20 0 BBADRM C[C@@H]1CCN(C(=O)CON)C[C@@H]1C(=O)[O-] ZINC000708753222 712198069 /nfs/dbraw/zinc/19/80/69/712198069.db2.gz CYBKGQQUEPTSNI-RQJHMYQMSA-N -1 0 216.237 -0.554 20 0 BBADRM NOCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000708753347 712198311 /nfs/dbraw/zinc/19/83/11/712198311.db2.gz DWQLSKUOHKJOHT-MRVPVSSYSA-N -1 0 230.264 -0.020 20 0 BBADRM NOCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000708753352 712198345 /nfs/dbraw/zinc/19/83/45/712198345.db2.gz DWQLSKUOHKJOHT-QMMMGPOBSA-N -1 0 230.264 -0.020 20 0 BBADRM NOCC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000708756414 712198255 /nfs/dbraw/zinc/19/82/55/712198255.db2.gz QZMLFAIEWSJEAU-SSDOTTSWSA-N -1 0 216.237 -0.410 20 0 BBADRM NOCC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000708756417 712198022 /nfs/dbraw/zinc/19/80/22/712198022.db2.gz QZMLFAIEWSJEAU-ZETCQYMHSA-N -1 0 216.237 -0.410 20 0 BBADRM NOCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000708772833 712198906 /nfs/dbraw/zinc/19/89/06/712198906.db2.gz BLPFJXLWLADQDZ-LURJTMIESA-N -1 0 202.210 -0.800 20 0 BBADRM NOCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000708772835 712198659 /nfs/dbraw/zinc/19/86/59/712198659.db2.gz BLPFJXLWLADQDZ-ZCFIWIBFSA-N -1 0 202.210 -0.800 20 0 BBADRM NOCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000708774253 712198562 /nfs/dbraw/zinc/19/85/62/712198562.db2.gz IWQQCRRZDTUPMO-LURJTMIESA-N -1 0 202.210 -0.658 20 0 BBADRM NOCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000708774255 712198754 /nfs/dbraw/zinc/19/87/54/712198754.db2.gz IWQQCRRZDTUPMO-ZCFIWIBFSA-N -1 0 202.210 -0.658 20 0 BBADRM NOCC(=O)N(CC(=O)[O-])CC1CC1 ZINC000708776306 712198688 /nfs/dbraw/zinc/19/86/88/712198688.db2.gz UGSUGEGAQLXPNJ-UHFFFAOYSA-N -1 0 202.210 -0.800 20 0 BBADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CON ZINC000708788895 712198635 /nfs/dbraw/zinc/19/86/35/712198635.db2.gz BIXBKQWGJYBOLC-UHFFFAOYSA-N -1 0 218.253 -0.164 20 0 BBADRM COCCO[N-]C(=O)[C@H]1CCCN1C(C)=O ZINC000708828293 712200277 /nfs/dbraw/zinc/20/02/77/712200277.db2.gz PUGSAJDSSMTWMI-SECBINFHSA-N -1 0 230.264 -0.309 20 0 BBADRM COCCO[N-]C(=O)[C@@H]1CCCN1C(C)=O ZINC000708828294 712199948 /nfs/dbraw/zinc/19/99/48/712199948.db2.gz PUGSAJDSSMTWMI-VIFPVBQESA-N -1 0 230.264 -0.309 20 0 BBADRM CC[C@@H](NC(C)=O)C(=O)[N-]OCCOC ZINC000708888825 712202478 /nfs/dbraw/zinc/20/24/78/712202478.db2.gz OUYLSYKHLSDCIU-MRVPVSSYSA-N -1 0 218.253 -0.405 20 0 BBADRM CC[C@H](NC(C)=O)C(=O)[N-]OCCOC ZINC000708888827 712202633 /nfs/dbraw/zinc/20/26/33/712202633.db2.gz OUYLSYKHLSDCIU-QMMMGPOBSA-N -1 0 218.253 -0.405 20 0 BBADRM CC(C)[C@H]1CN(C(=O)COCC(=O)[O-])CCO1 ZINC000708893071 712202768 /nfs/dbraw/zinc/20/27/68/712202768.db2.gz RVWXVCMTNNIKIC-SECBINFHSA-N -1 0 245.275 -0.029 20 0 BBADRM CC(C)[C@@H]1CN(C(=O)COCC(=O)[O-])CCO1 ZINC000708893072 712202446 /nfs/dbraw/zinc/20/24/46/712202446.db2.gz RVWXVCMTNNIKIC-VIFPVBQESA-N -1 0 245.275 -0.029 20 0 BBADRM CO[C@H](C(=O)[O-])C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000709006868 712205763 /nfs/dbraw/zinc/20/57/63/712205763.db2.gz LHGITJSZFOJDIZ-BDAKNGLRSA-N -1 0 245.275 -0.031 20 0 BBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCO[C@H](C(C)C)C1 ZINC000709006870 712205861 /nfs/dbraw/zinc/20/58/61/712205861.db2.gz LHGITJSZFOJDIZ-DTWKUNHWSA-N -1 0 245.275 -0.031 20 0 BBADRM CO[C@H](C(=O)[O-])C(=O)N1CCO[C@H](C(C)C)C1 ZINC000709006873 712205828 /nfs/dbraw/zinc/20/58/28/712205828.db2.gz LHGITJSZFOJDIZ-IUCAKERBSA-N -1 0 245.275 -0.031 20 0 BBADRM CO[C@@H](C(=O)[O-])C(=O)N1CCO[C@@H](C(C)C)C1 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599842567 /nfs/dbraw/zinc/84/25/67/599842567.db2.gz BBUCIRSJVRCUHS-MRVPVSSYSA-N -1 0 246.263 -0.090 20 0 BBADRM COC(=O)CN(C)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737602923 602373229 /nfs/dbraw/zinc/37/32/29/602373229.db2.gz BBUCIRSJVRCUHS-QMMMGPOBSA-N -1 0 246.263 -0.090 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)C(C)C ZINC000737602956 599751534 /nfs/dbraw/zinc/75/15/34/599751534.db2.gz CIMSQSYAMDTGHS-UHFFFAOYSA-N -1 0 217.221 -0.271 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1CCC1 ZINC000737603070 599751711 /nfs/dbraw/zinc/75/17/11/599751711.db2.gz HZUSUABFCTYTHW-UHFFFAOYSA-N -1 0 229.232 -0.127 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCOC1 ZINC000737603176 600170583 /nfs/dbraw/zinc/17/05/83/600170583.db2.gz JKPHQNSWGGTKPC-SSDOTTSWSA-N -1 0 245.231 -0.891 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCOC1 ZINC000737603190 600170538 /nfs/dbraw/zinc/17/05/38/600170538.db2.gz JKPHQNSWGGTKPC-ZETCQYMHSA-N -1 0 245.231 -0.891 20 0 BBADRM COC(=O)CN(C)C(=O)CCNC(=O)[O-] ZINC000737603747 599744094 /nfs/dbraw/zinc/74/40/94/599744094.db2.gz HDOXNUISMKPXJD-UHFFFAOYSA-N -1 0 218.209 -0.725 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)C[C@@H](C)OC ZINC000737603752 600008661 /nfs/dbraw/zinc/00/86/61/600008661.db2.gz LVTLDJMOVBBKTA-SSDOTTSWSA-N -1 0 247.247 -0.502 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)C[C@H](C)OC ZINC000737603760 600008727 /nfs/dbraw/zinc/00/87/27/600008727.db2.gz LVTLDJMOVBBKTA-ZETCQYMHSA-N -1 0 247.247 -0.502 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)SC ZINC000737603786 599750660 /nfs/dbraw/zinc/75/06/60/599750660.db2.gz HNHQSBLZWHETDL-LURJTMIESA-N -1 0 249.288 -0.176 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)SC ZINC000737603790 599750650 /nfs/dbraw/zinc/75/06/50/599750650.db2.gz HNHQSBLZWHETDL-ZCFIWIBFSA-N -1 0 249.288 -0.176 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1C ZINC000737604134 599751634 /nfs/dbraw/zinc/75/16/34/599751634.db2.gz ONCKIDZPTPKSSB-BQBZGAKWSA-N -1 0 229.232 -0.271 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1C ZINC000737604135 599751688 /nfs/dbraw/zinc/75/16/88/599751688.db2.gz ONCKIDZPTPKSSB-NKWVEPMBSA-N -1 0 229.232 -0.271 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1C ZINC000737604136 599751626 /nfs/dbraw/zinc/75/16/26/599751626.db2.gz ONCKIDZPTPKSSB-RNFRBKRXSA-N -1 0 229.232 -0.271 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1C ZINC000737604138 599751718 /nfs/dbraw/zinc/75/17/18/599751718.db2.gz ONCKIDZPTPKSSB-RQJHMYQMSA-N -1 0 229.232 -0.271 20 0 BBADRM COC(=O)CN(C)C(=O)CCSCC(=O)[O-] ZINC000737604309 599744006 /nfs/dbraw/zinc/74/40/06/599744006.db2.gz JBQHYSQVDRWPAX-UHFFFAOYSA-N -1 0 249.288 -0.174 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1=COCC1 ZINC000737604387 600494519 /nfs/dbraw/zinc/49/45/19/600494519.db2.gz KDFGBOXQKWGKMW-UHFFFAOYSA-N -1 0 243.215 -0.623 20 0 BBADRM COC(=O)CN(C)CCC(=O)N(C)CC(=O)[O-] ZINC000737604426 600976841 /nfs/dbraw/zinc/97/68/41/600976841.db2.gz KJCOSEQXRVHGGK-UHFFFAOYSA-N -1 0 246.263 -0.976 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)C1CC1 ZINC000737604724 599751517 /nfs/dbraw/zinc/75/15/17/599751517.db2.gz PHJCECBTJAGHIF-UHFFFAOYSA-N -1 0 215.205 -0.517 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H]1CCCO1 ZINC000737604801 599751622 /nfs/dbraw/zinc/75/16/22/599751622.db2.gz QESWAMXTUAEWBM-SSDOTTSWSA-N -1 0 245.231 -0.748 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CCCO1 ZINC000737604802 599751520 /nfs/dbraw/zinc/75/15/20/599751520.db2.gz QESWAMXTUAEWBM-ZETCQYMHSA-N -1 0 245.231 -0.748 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)CC1CC1 ZINC000737604888 585037215 /nfs/dbraw/zinc/03/72/15/585037215.db2.gz SOBBRLULHOWPEK-UHFFFAOYSA-N -1 0 229.232 -0.127 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)CSC ZINC000737604951 585037206 /nfs/dbraw/zinc/03/72/06/585037206.db2.gz HWMJIOCZVAWZCI-UHFFFAOYSA-N -1 0 235.261 -0.564 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)OC ZINC000737604980 585037227 /nfs/dbraw/zinc/03/72/27/585037227.db2.gz MEIVKBKJIOIVEY-LURJTMIESA-N -1 0 233.220 -0.893 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)OC ZINC000737604983 585037242 /nfs/dbraw/zinc/03/72/42/585037242.db2.gz MEIVKBKJIOIVEY-ZCFIWIBFSA-N -1 0 233.220 -0.893 20 0 BBADRM COC(=O)CN(C)C(=O)CCCNC(=O)[O-] ZINC000737605154 585037221 /nfs/dbraw/zinc/03/72/21/585037221.db2.gz OYVGBQJISNWHBX-UHFFFAOYSA-N -1 0 232.236 -0.334 20 0 BBADRM COC(=O)CN(C)C(=O)C(C)(C)NC(=O)[O-] ZINC000737605627 585037226 /nfs/dbraw/zinc/03/72/26/585037226.db2.gz RMMDJPRDIMCZTA-UHFFFAOYSA-N -1 0 232.236 -0.336 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)CCSC ZINC000737605681 585037246 /nfs/dbraw/zinc/03/72/46/585037246.db2.gz XBRUGNTYJSYUTB-UHFFFAOYSA-N -1 0 249.288 -0.174 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)COC(C)C ZINC000737606321 585037202 /nfs/dbraw/zinc/03/72/02/585037202.db2.gz XMHWMRFONYXWRA-UHFFFAOYSA-N -1 0 247.247 -0.502 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc[nH]1 ZINC000737609249 585037274 /nfs/dbraw/zinc/03/72/74/585037274.db2.gz UTCXFTMPDPNMDD-UHFFFAOYSA-N -1 0 240.215 -0.286 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cc[nH]c1 ZINC000737609667 585037356 /nfs/dbraw/zinc/03/73/56/585037356.db2.gz DDWPLSQGGHGWID-UHFFFAOYSA-N -1 0 240.215 -0.286 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccn[nH]1 ZINC000737610789 585037348 /nfs/dbraw/zinc/03/73/48/585037348.db2.gz NTDMXSGWYKPCBN-UHFFFAOYSA-N -1 0 241.203 -0.891 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccco1 ZINC000737612189 585037304 /nfs/dbraw/zinc/03/73/04/585037304.db2.gz GWRJZQMLAORVQT-UHFFFAOYSA-N -1 0 241.199 -0.021 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)OC ZINC000737612796 585037353 /nfs/dbraw/zinc/03/73/53/585037353.db2.gz YVOQJEUZGIMFMK-UHFFFAOYSA-N -1 0 205.166 -0.688 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccon1 ZINC000737612939 585037425 /nfs/dbraw/zinc/03/74/25/585037425.db2.gz KYPOHWIQNHYIOJ-UHFFFAOYSA-N -1 0 242.187 -0.626 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cn[nH]c1 ZINC000737613173 585037386 /nfs/dbraw/zinc/03/73/86/585037386.db2.gz NRVOUNGEYCFJEA-UHFFFAOYSA-N -1 0 241.203 -0.891 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1cocn1 ZINC000737613496 585037265 /nfs/dbraw/zinc/03/72/65/585037265.db2.gz PIXLFXYQUKRHIF-UHFFFAOYSA-N -1 0 242.187 -0.626 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccoc1 ZINC000737613530 585037392 /nfs/dbraw/zinc/03/73/92/585037392.db2.gz QQYBWTUQJIKFBT-UHFFFAOYSA-N -1 0 241.199 -0.021 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C(=O)c1c[nH]cn1 ZINC000737613533 585037377 /nfs/dbraw/zinc/03/73/77/585037377.db2.gz QSERDAAQPVHZHR-UHFFFAOYSA-N -1 0 241.203 -0.891 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C[C@H]1CCOC1 ZINC000737614353 585037279 /nfs/dbraw/zinc/03/72/79/585037279.db2.gz BUZYDRCFFKTMIX-MRVPVSSYSA-N -1 0 231.248 -0.418 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C[C@@H]1CCOC1 ZINC000737614355 585037363 /nfs/dbraw/zinc/03/73/63/585037363.db2.gz BUZYDRCFFKTMIX-QMMMGPOBSA-N -1 0 231.248 -0.418 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C[C@H]1CCCO1 ZINC000737615269 585037272 /nfs/dbraw/zinc/03/72/72/585037272.db2.gz JWCCIZFXIAJZAH-MRVPVSSYSA-N -1 0 231.248 -0.275 20 0 BBADRM COC(=O)CN(CC(=O)[O-])C[C@@H]1CCCO1 ZINC000737615270 585037405 /nfs/dbraw/zinc/03/74/05/585037405.db2.gz JWCCIZFXIAJZAH-QMMMGPOBSA-N -1 0 231.248 -0.275 20 0 BBADRM COC(=O)CN(CC(=O)[O-])CC1CCOCC1 ZINC000737616041 585037601 /nfs/dbraw/zinc/03/76/01/585037601.db2.gz RXRMVUCCONLCQR-UHFFFAOYSA-N -1 0 245.275 -0.027 20 0 BBADRM COC(=O)CN(CC(=O)[O-])CN1CCCC1=O ZINC000737616434 585037474 /nfs/dbraw/zinc/03/74/74/585037474.db2.gz VZDDLVBLAUWHOE-UHFFFAOYSA-N -1 0 244.247 -0.874 20 0 BBADRM COC(=O)CN(CC(=O)[O-])Cc1ccno1 ZINC000737617241 585037510 /nfs/dbraw/zinc/03/75/10/585037510.db2.gz CDFYCOJFBSMQRK-UHFFFAOYSA-N -1 0 228.204 -0.266 20 0 BBADRM COC(=O)CN(CC(=O)[O-])Cc1nccn1C ZINC000737617247 585037489 /nfs/dbraw/zinc/03/74/89/585037489.db2.gz CRLTWDMSZSLMDK-UHFFFAOYSA-N -1 0 241.247 -0.520 20 0 BBADRM COC(=O)CN(CC(=O)[O-])Cc1noc(C)n1 ZINC000737617274 585037529 /nfs/dbraw/zinc/03/75/29/585037529.db2.gz DRXBSOJNURHEAC-UHFFFAOYSA-N -1 0 243.219 -0.562 20 0 BBADRM COC(=O)CN(CC(=O)[O-])Cc1cnn(C)c1 ZINC000737618058 585037641 /nfs/dbraw/zinc/03/76/41/585037641.db2.gz KKHZGMQJKBBYIT-UHFFFAOYSA-N -1 0 241.247 -0.520 20 0 BBADRM COC(=O)CN(CC(=O)[O-])Cc1nonc1C ZINC000737618463 585037533 /nfs/dbraw/zinc/03/75/33/585037533.db2.gz PTYPGPSUJWYFQC-UHFFFAOYSA-N -1 0 243.219 -0.562 20 0 BBADRM COC(=O)CN(CC(=O)[O-])Cc1ccon1 ZINC000737618537 585037622 /nfs/dbraw/zinc/03/76/22/585037622.db2.gz QULFGSGXRCIMQQ-UHFFFAOYSA-N -1 0 228.204 -0.266 20 0 BBADRM COC(=O)CN(CC(=O)[O-])Cc1nc(C)no1 ZINC000737618879 585037591 /nfs/dbraw/zinc/03/75/91/585037591.db2.gz VIIXCYXJEBDXNH-UHFFFAOYSA-N -1 0 243.219 -0.562 20 0 BBADRM COC(=O)CN(CCC(=O)N(C)C)CC(=O)[O-] ZINC000737619439 585037454 /nfs/dbraw/zinc/03/74/54/585037454.db2.gz HVLCXVDLCCGWCI-UHFFFAOYSA-N -1 0 246.263 -0.976 20 0 BBADRM COC(=O)CN(CCN1CCOCC1)C(=O)[O-] ZINC000737619916 585037471 /nfs/dbraw/zinc/03/74/71/585037471.db2.gz PCIZKQHJSLFOHL-UHFFFAOYSA-N -1 0 246.263 -0.528 20 0 BBADRM COC(=O)CN(CCOC(C)C)CC(=O)[O-] ZINC000737619956 585037464 /nfs/dbraw/zinc/03/74/64/585037464.db2.gz PRTRINCWPFMFKI-UHFFFAOYSA-N -1 0 233.264 -0.029 20 0 BBADRM COC(=O)CN(CC(=O)OC)C(=O)[O-] ZINC000737619963 585037528 /nfs/dbraw/zinc/03/75/28/585037528.db2.gz PUEZJPPVCDFKAY-UHFFFAOYSA-N -1 0 205.166 -0.688 20 0 BBADRM COC(=O)COC(=O)CCNC(=O)[O-] ZINC000737620611 585037585 /nfs/dbraw/zinc/03/75/85/585037585.db2.gz ANQLIDZPAPNFCB-UHFFFAOYSA-N -1 0 205.166 -0.640 20 0 BBADRM COC(=O)CNC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737620612 585037572 /nfs/dbraw/zinc/03/75/72/585037572.db2.gz ANRAFJURPVTMNF-SSDOTTSWSA-N -1 0 232.236 -0.432 20 0 BBADRM COC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737620613 585037645 /nfs/dbraw/zinc/03/76/45/585037645.db2.gz ANRAFJURPVTMNF-ZETCQYMHSA-N -1 0 232.236 -0.432 20 0 BBADRM COC(=O)COC(=O)CCCNC(=O)[O-] ZINC000737620650 585037634 /nfs/dbraw/zinc/03/76/34/585037634.db2.gz COFVQIAMXSYMOP-UHFFFAOYSA-N -1 0 219.193 -0.250 20 0 BBADRM COC(=O)CNC(=O)C(C)(C)NC(=O)[O-] ZINC000737620656 585037538 /nfs/dbraw/zinc/03/75/38/585037538.db2.gz CQRSBRTVUWGVJQ-UHFFFAOYSA-N -1 0 218.209 -0.678 20 0 BBADRM COC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000737621123 585037455 /nfs/dbraw/zinc/03/74/55/585037455.db2.gz HPFYGXUICLEPFH-SSDOTTSWSA-N -1 0 201.222 -0.044 20 0 BBADRM COC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000737621125 585037434 /nfs/dbraw/zinc/03/74/34/585037434.db2.gz HPFYGXUICLEPFH-ZETCQYMHSA-N -1 0 201.222 -0.044 20 0 BBADRM COC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000737621221 585037632 /nfs/dbraw/zinc/03/76/32/585037632.db2.gz JQHWPXIURVHGPI-UHFFFAOYSA-N -1 0 201.222 -0.044 20 0 BBADRM COC(=O)CNC(=O)CSC[C@H](C)C(=O)[O-] ZINC000737621782 585037638 /nfs/dbraw/zinc/03/76/38/585037638.db2.gz LBLLVIKCZJWIFS-LURJTMIESA-N -1 0 249.288 -0.271 20 0 BBADRM COC(=O)CNC(=O)CSC[C@@H](C)C(=O)[O-] ZINC000737621784 585037657 /nfs/dbraw/zinc/03/76/57/585037657.db2.gz LBLLVIKCZJWIFS-ZCFIWIBFSA-N -1 0 249.288 -0.271 20 0 BBADRM COC(=O)COC(=O)CCSCC(=O)[O-] ZINC000737621829 585037666 /nfs/dbraw/zinc/03/76/66/585037666.db2.gz MKGZHCBBARCTBY-UHFFFAOYSA-N -1 0 236.245 -0.090 20 0 BBADRM COC(=O)CNC(=O)CCSCC(=O)[O-] ZINC000737621836 585037667 /nfs/dbraw/zinc/03/76/67/585037667.db2.gz MTKBMKFFZWHTFR-UHFFFAOYSA-N -1 0 235.261 -0.517 20 0 BBADRM COC(=O)CNC(=O)CS[C@@H](C)CC(=O)[O-] ZINC000737622522 585037473 /nfs/dbraw/zinc/03/74/73/585037473.db2.gz OULNNLREAOHPAJ-LURJTMIESA-N -1 0 249.288 -0.128 20 0 BBADRM COC(=O)CNC(=O)CS[C@H](C)CC(=O)[O-] ZINC000737622526 585037568 /nfs/dbraw/zinc/03/75/68/585037568.db2.gz OULNNLREAOHPAJ-ZCFIWIBFSA-N -1 0 249.288 -0.128 20 0 BBADRM COC(=O)COC(=O)C(C)(C)NC(=O)[O-] ZINC000737622543 585037611 /nfs/dbraw/zinc/03/76/11/585037611.db2.gz PBQNOQKGFZVPPK-UHFFFAOYSA-N -1 0 219.193 -0.251 20 0 BBADRM COC(=O)CNC(=O)CCCN(C)C(=O)[O-] ZINC000737622660 585037522 /nfs/dbraw/zinc/03/75/22/585037522.db2.gz QRVALQFLPRSAHQ-UHFFFAOYSA-N -1 0 232.236 -0.334 20 0 BBADRM COC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000737623980 585037720 /nfs/dbraw/zinc/03/77/20/585037720.db2.gz XDEITRUSHWDTPA-CRCLSJGQSA-N -1 0 202.162 -0.577 20 0 BBADRM COC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000737623982 585037534 /nfs/dbraw/zinc/03/75/34/585037534.db2.gz XDEITRUSHWDTPA-RFZPGFLSSA-N -1 0 202.162 -0.577 20 0 BBADRM COC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737623985 585037658 /nfs/dbraw/zinc/03/76/58/585037658.db2.gz XDEITRUSHWDTPA-UHNVWZDZSA-N -1 0 202.162 -0.577 20 0 BBADRM COC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000737623987 585037714 /nfs/dbraw/zinc/03/77/14/585037714.db2.gz XDEITRUSHWDTPA-WHFBIAKZSA-N -1 0 202.162 -0.577 20 0 BBADRM COC(=O)CNC(=O)CCCNC(=O)[O-] ZINC000737624134 585037689 /nfs/dbraw/zinc/03/76/89/585037689.db2.gz ZDVZPPJEVKYFMX-UHFFFAOYSA-N -1 0 218.209 -0.677 20 0 BBADRM COC(=O)COC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737624143 585037520 /nfs/dbraw/zinc/03/75/20/585037520.db2.gz ZHHMRTPDTZBFNC-SSDOTTSWSA-N -1 0 233.220 -0.005 20 0 BBADRM COC(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737624145 585037500 /nfs/dbraw/zinc/03/75/00/585037500.db2.gz ZHHMRTPDTZBFNC-ZETCQYMHSA-N -1 0 233.220 -0.005 20 0 BBADRM COC(=O)CSCCC(=O)N(C)CC(=O)[O-] ZINC000737626902 585037570 /nfs/dbraw/zinc/03/75/70/585037570.db2.gz BFQLJXOPVUUZDI-UHFFFAOYSA-N -1 0 249.288 -0.174 20 0 BBADRM COC(=O)CSCCC(=O)NCC(=O)[O-] ZINC000737627773 585037628 /nfs/dbraw/zinc/03/76/28/585037628.db2.gz KVJWQVNJDAQGAZ-UHFFFAOYSA-N -1 0 235.261 -0.517 20 0 BBADRM COC(=O)CSCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000737628275 585037592 /nfs/dbraw/zinc/03/75/92/585037592.db2.gz ORJLHCOFGUXCFR-LURJTMIESA-N -1 0 249.288 -0.128 20 0 BBADRM COC(=O)CSCCC(=O)OCC(=O)[O-] ZINC000737629242 585037642 /nfs/dbraw/zinc/03/76/42/585037642.db2.gz YYZTTXPZNLWVAA-UHFFFAOYSA-N -1 0 236.245 -0.090 20 0 BBADRM COC(=O)CSCCC(=O)NCCC(=O)[O-] ZINC000737629254 585037573 /nfs/dbraw/zinc/03/75/73/585037573.db2.gz ZXXWACUOKBUADG-UHFFFAOYSA-N -1 0 249.288 -0.126 20 0 BBADRM COC(=O)N(C)CC(=O)OCCNC(=O)[O-] ZINC000737631626 585037468 /nfs/dbraw/zinc/03/74/68/585037468.db2.gz PPCCSTOLFUUVCU-UHFFFAOYSA-N -1 0 234.208 -0.505 20 0 BBADRM COC(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC000737634832 585037845 /nfs/dbraw/zinc/03/78/45/585037845.db2.gz XPPKHRIMXIKSLB-UHFFFAOYSA-N -1 0 246.263 -0.528 20 0 BBADRM COC(=O)N[C@@H](C(=O)OCC(=O)[O-])C(C)C ZINC000737635158 585037792 /nfs/dbraw/zinc/03/77/92/585037792.db2.gz YZCNDVGPYACDFD-SSDOTTSWSA-N -1 0 233.220 -0.005 20 0 BBADRM COC(=O)N[C@H](C(=O)OCC(=O)[O-])C(C)C ZINC000737635159 585037793 /nfs/dbraw/zinc/03/77/93/585037793.db2.gz YZCNDVGPYACDFD-ZETCQYMHSA-N -1 0 233.220 -0.005 20 0 BBADRM COC(=O)NCCCC(=O)OCC(=O)[O-] ZINC000737636845 585037912 /nfs/dbraw/zinc/03/79/12/585037912.db2.gz BADFHEMGVQMSJE-UHFFFAOYSA-N -1 0 219.193 -0.250 20 0 BBADRM COC(=O)NCCOC(=O)CCNC(=O)[O-] ZINC000737636862 585037867 /nfs/dbraw/zinc/03/78/67/585037867.db2.gz BSNIPULSEHORHE-UHFFFAOYSA-N -1 0 234.208 -0.457 20 0 BBADRM COC(=O)NCCC(=O)OCCNC(=O)[O-] ZINC000737637428 585037818 /nfs/dbraw/zinc/03/78/18/585037818.db2.gz INNZHMURTXPUEB-UHFFFAOYSA-N -1 0 234.208 -0.457 20 0 BBADRM COC(=O)NCC(=O)OCCNC(=O)[O-] ZINC000737637475 585037804 /nfs/dbraw/zinc/03/78/04/585037804.db2.gz DFDCBAXLMCQFKD-UHFFFAOYSA-N -1 0 220.181 -0.847 20 0 BBADRM COC(=O)NC(C)(C)C(=O)NC[C@H](C)C(=O)[O-] ZINC000737637698 585037728 /nfs/dbraw/zinc/03/77/28/585037728.db2.gz GNTSVMBMMHXKPT-LURJTMIESA-N -1 0 246.263 -0.042 20 0 BBADRM COC(=O)NC(C)(C)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000737637700 585037889 /nfs/dbraw/zinc/03/78/89/585037889.db2.gz GNTSVMBMMHXKPT-ZCFIWIBFSA-N -1 0 246.263 -0.042 20 0 BBADRM COC(=O)NCCC(=O)NC(C)(C)C(=O)[O-] ZINC000737637727 585037939 /nfs/dbraw/zinc/03/79/39/585037939.db2.gz GZIRUXPPCHZEOK-UHFFFAOYSA-N -1 0 232.236 -0.288 20 0 BBADRM COC(=O)NCCC(=O)NC[C@H](C)C(=O)[O-] ZINC000737637779 585037799 /nfs/dbraw/zinc/03/77/99/585037799.db2.gz HVDNJOFAYFBUJQ-LURJTMIESA-N -1 0 232.236 -0.431 20 0 BBADRM COC(=O)NCCC(=O)NC[C@@H](C)C(=O)[O-] ZINC000737637781 585037816 /nfs/dbraw/zinc/03/78/16/585037816.db2.gz HVDNJOFAYFBUJQ-ZCFIWIBFSA-N -1 0 232.236 -0.431 20 0 BBADRM COC(=O)NCCOC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000737637898 585037938 /nfs/dbraw/zinc/03/79/38/585037938.db2.gz LQBLGYCPPIHXNF-NTSWFWBYSA-N -1 0 231.204 -0.394 20 0 BBADRM COC(=O)NCCOC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000737637900 585037847 /nfs/dbraw/zinc/03/78/47/585037847.db2.gz LQBLGYCPPIHXNF-PHDIDXHHSA-N -1 0 231.204 -0.394 20 0 BBADRM COC(=O)NCCOC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737637901 585037931 /nfs/dbraw/zinc/03/79/31/585037931.db2.gz LQBLGYCPPIHXNF-RITPCOANSA-N -1 0 231.204 -0.394 20 0 BBADRM COC(=O)NCCOC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000737637903 585037915 /nfs/dbraw/zinc/03/79/15/585037915.db2.gz LQBLGYCPPIHXNF-WDSKDSINSA-N -1 0 231.204 -0.394 20 0 BBADRM COC(=O)NCCC(=O)OCC(=O)[O-] ZINC000737637920 585037848 /nfs/dbraw/zinc/03/78/48/585037848.db2.gz LZJDWNXKCPADLH-UHFFFAOYSA-N -1 0 205.166 -0.640 20 0 BBADRM COC(=O)NCCOC(=O)CN(C)C(=O)[O-] ZINC000737638000 585037745 /nfs/dbraw/zinc/03/77/45/585037745.db2.gz OIAPEXSKFJAATP-UHFFFAOYSA-N -1 0 234.208 -0.505 20 0 BBADRM COC(=O)NCCOC(=O)CCCNC(=O)[O-] ZINC000737638250 585037781 /nfs/dbraw/zinc/03/77/81/585037781.db2.gz PFHURDUEFAZVBX-UHFFFAOYSA-N -1 0 248.235 -0.067 20 0 BBADRM COC(=O)NCCCC(=O)NC[C@@H](C)C(=O)[O-] ZINC000737638314 585037923 /nfs/dbraw/zinc/03/79/23/585037923.db2.gz PVUBZRVLWLHEJY-SSDOTTSWSA-N -1 0 246.263 -0.041 20 0 BBADRM COC(=O)NCCCC(=O)NC[C@H](C)C(=O)[O-] ZINC000737638315 585037750 /nfs/dbraw/zinc/03/77/50/585037750.db2.gz PVUBZRVLWLHEJY-ZETCQYMHSA-N -1 0 246.263 -0.041 20 0 BBADRM COC(=O)NC(C)(C)C(=O)OCC(=O)[O-] ZINC000737638394 585037955 /nfs/dbraw/zinc/03/79/55/585037955.db2.gz KUTYHVDJXIRDJU-UHFFFAOYSA-N -1 0 219.193 -0.251 20 0 BBADRM COC(=O)NCCCC(=O)OCCNC(=O)[O-] ZINC000737638695 585037806 /nfs/dbraw/zinc/03/78/06/585037806.db2.gz VHSCZWZFBFCCOW-UHFFFAOYSA-N -1 0 248.235 -0.067 20 0 BBADRM COC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000737638704 585037733 /nfs/dbraw/zinc/03/77/33/585037733.db2.gz MSOJOTKDVODDQC-SSDOTTSWSA-N -1 0 246.263 -0.042 20 0 BBADRM COC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000737638705 585037801 /nfs/dbraw/zinc/03/78/01/585037801.db2.gz MSOJOTKDVODDQC-ZETCQYMHSA-N -1 0 246.263 -0.042 20 0 BBADRM COC(=O)NCCOC(=O)CNC(=O)[O-] ZINC000737638715 585037918 /nfs/dbraw/zinc/03/79/18/585037918.db2.gz VVBXWOVUNCQJGF-UHFFFAOYSA-N -1 0 220.181 -0.847 20 0 BBADRM COC(=O)NCCC(=O)O[C@H](C)C(=O)[O-] ZINC000737638836 585037814 /nfs/dbraw/zinc/03/78/14/585037814.db2.gz XRNOXTWJOMJWRW-RXMQYKEDSA-N -1 0 219.193 -0.251 20 0 BBADRM COC(=O)NCCC(=O)O[C@@H](C)C(=O)[O-] ZINC000737638838 585037820 /nfs/dbraw/zinc/03/78/20/585037820.db2.gz XRNOXTWJOMJWRW-YFKPBYRVSA-N -1 0 219.193 -0.251 20 0 BBADRM COC(=O)NCC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000737638871 585037766 /nfs/dbraw/zinc/03/77/66/585037766.db2.gz QITSFHAUVXHESB-JTQLQIEISA-N -1 0 244.247 -0.288 20 0 BBADRM COC(=O)NCC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000737638872 585037786 /nfs/dbraw/zinc/03/77/86/585037786.db2.gz QITSFHAUVXHESB-SNVBAGLBSA-N -1 0 244.247 -0.288 20 0 BBADRM COC(=O)[C@H](C)NC(=O)CCCNC(=O)[O-] ZINC000737642351 585037783 /nfs/dbraw/zinc/03/77/83/585037783.db2.gz APHVVPMCTFJIOG-LURJTMIESA-N -1 0 232.236 -0.288 20 0 BBADRM COC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[O-] ZINC000737642369 585037907 /nfs/dbraw/zinc/03/79/07/585037907.db2.gz BAAPPXVJDQOZJF-YFKPBYRVSA-N -1 0 232.236 -0.290 20 0 BBADRM COC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737642439 585037928 /nfs/dbraw/zinc/03/79/28/585037928.db2.gz DHMHQXZSGGTTRC-BQBZGAKWSA-N -1 0 246.263 -0.044 20 0 BBADRM COC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737642440 585037883 /nfs/dbraw/zinc/03/78/83/585037883.db2.gz DHMHQXZSGGTTRC-NKWVEPMBSA-N -1 0 246.263 -0.044 20 0 BBADRM COC(=O)[C@H](C)NC(=O)CCNC(=O)[O-] ZINC000737642679 585037825 /nfs/dbraw/zinc/03/78/25/585037825.db2.gz JFSZZFXLKHKHOS-YFKPBYRVSA-N -1 0 218.209 -0.678 20 0 BBADRM COC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[O-] ZINC000737642726 585038132 /nfs/dbraw/zinc/03/81/32/585038132.db2.gz NCTQMJODIJBAMZ-LURJTMIESA-N -1 0 230.220 -0.582 20 0 BBADRM COC(=O)[C@H](C)NC(=O)CCSCC(=O)[O-] ZINC000737642945 585038086 /nfs/dbraw/zinc/03/80/86/585038086.db2.gz VTLJFQOKPZYAGZ-LURJTMIESA-N -1 0 249.288 -0.128 20 0 BBADRM COC(=O)[C@@H]1CCCN1C(=O)CN(C)C(=O)[O-] ZINC000737642955 585038044 /nfs/dbraw/zinc/03/80/44/585038044.db2.gz WJQDKTUHLXRVKA-ZETCQYMHSA-N -1 0 244.247 -0.240 20 0 BBADRM CC(C)n1cnnc1CNC(=O)CNC(=O)[O-] ZINC000737660612 583353434 /nfs/dbraw/zinc/35/34/34/583353434.db2.gz QAQSLMXHHIDSTJ-UHFFFAOYSA-N -1 0 241.251 -0.257 20 0 BBADRM COC(=O)c1ccc(=O)n(CCCC(=O)[O-])n1 ZINC000737678323 600517304 /nfs/dbraw/zinc/51/73/04/600517304.db2.gz OZLBLMGAFIMDCL-UHFFFAOYSA-N -1 0 240.215 -0.105 20 0 BBADRM C[C@H](C(=O)N[C@@H](C)C(=O)[O-])N1C(=O)CCC1=O ZINC000737679927 585037982 /nfs/dbraw/zinc/03/79/82/585037982.db2.gz HGQUWIBIKSNZLJ-NTSWFWBYSA-N -1 0 242.231 -0.887 20 0 BBADRM C[C@@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)[O-] ZINC000737679929 585038166 /nfs/dbraw/zinc/03/81/66/585038166.db2.gz HGQUWIBIKSNZLJ-PHDIDXHHSA-N -1 0 242.231 -0.887 20 0 BBADRM C[C@@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)[O-] ZINC000737679932 585038167 /nfs/dbraw/zinc/03/81/67/585038167.db2.gz HGQUWIBIKSNZLJ-RITPCOANSA-N -1 0 242.231 -0.887 20 0 BBADRM C[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)[O-] ZINC000737679933 585038187 /nfs/dbraw/zinc/03/81/87/585038187.db2.gz HGQUWIBIKSNZLJ-WDSKDSINSA-N -1 0 242.231 -0.887 20 0 BBADRM C[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)[O-] ZINC000737681583 583173269 /nfs/dbraw/zinc/17/32/69/583173269.db2.gz SNXRUPDIHAYANL-NTSWFWBYSA-N -1 0 203.238 -0.017 20 0 BBADRM C[C@@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)[O-] ZINC000737681594 583173170 /nfs/dbraw/zinc/17/31/70/583173170.db2.gz SNXRUPDIHAYANL-PHDIDXHHSA-N -1 0 203.238 -0.017 20 0 BBADRM C[C@@H](NC(=O)[C@H](O)C(C)(C)C)C(=O)[O-] ZINC000737681599 583172964 /nfs/dbraw/zinc/17/29/64/583172964.db2.gz SNXRUPDIHAYANL-RITPCOANSA-N -1 0 203.238 -0.017 20 0 BBADRM C[C@H](NC(=O)[C@H](O)C(C)(C)C)C(=O)[O-] ZINC000737681600 583173058 /nfs/dbraw/zinc/17/30/58/583173058.db2.gz 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215.253 -0.550 20 0 BBADRM C[C@H]1CN(CC(N)=O)CC[C@H]1NC(=O)[O-] ZINC000739181976 602767328 /nfs/dbraw/zinc/76/73/28/602767328.db2.gz VIDWTEDVROLDEJ-NKWVEPMBSA-N -1 0 215.253 -0.550 20 0 BBADRM C[C@@H]1CN(CC(N)=O)CC[C@H]1NC(=O)[O-] ZINC000739181979 602766849 /nfs/dbraw/zinc/76/68/49/602766849.db2.gz VIDWTEDVROLDEJ-RNFRBKRXSA-N -1 0 215.253 -0.550 20 0 BBADRM C[C@@H]1CN(CC(N)=O)CC[C@@H]1NC(=O)[O-] ZINC000739181980 602767029 /nfs/dbraw/zinc/76/70/29/602767029.db2.gz VIDWTEDVROLDEJ-RQJHMYQMSA-N -1 0 215.253 -0.550 20 0 BBADRM C[C@H]1CN(CC(N)=O)CCN1C(=O)[O-] ZINC000739182233 603353615 /nfs/dbraw/zinc/35/36/15/603353615.db2.gz WBXVFNOSKJNBAS-LURJTMIESA-N -1 0 201.226 -0.844 20 0 BBADRM C[C@@H]1CN(CC(N)=O)CCN1C(=O)[O-] ZINC000739182234 603353525 /nfs/dbraw/zinc/35/35/25/603353525.db2.gz WBXVFNOSKJNBAS-ZCFIWIBFSA-N -1 0 201.226 -0.844 20 0 BBADRM C[C@H]1CN(CC(N)=O)C[C@H](C)N1C(=O)[O-] ZINC000739182692 602835837 /nfs/dbraw/zinc/83/58/37/602835837.db2.gz XTXLMEHWFKHPIN-BQBZGAKWSA-N -1 0 215.253 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236.293 -0.076 20 0 BBADRM CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1 ZINC000739195571 635136258 /nfs/dbraw/zinc/13/62/58/635136258.db2.gz JENFGNCOJZSCNH-UHFFFAOYSA-N -1 0 231.277 -0.110 20 0 BBADRM C[C@@H]1NC(=S)N([C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739195667 602571839 /nfs/dbraw/zinc/57/18/39/602571839.db2.gz CCRCOVNVNZABDK-NTSWFWBYSA-N -1 0 243.288 -0.156 20 0 BBADRM C[C@H]1NC(=S)N([C@@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739195671 602571814 /nfs/dbraw/zinc/57/18/14/602571814.db2.gz CCRCOVNVNZABDK-PHDIDXHHSA-N -1 0 243.288 -0.156 20 0 BBADRM C[C@H]1NC(=S)N([C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739195676 602571684 /nfs/dbraw/zinc/57/16/84/602571684.db2.gz CCRCOVNVNZABDK-RITPCOANSA-N -1 0 243.288 -0.156 20 0 BBADRM C[C@@H]1NC(=S)N([C@H]2CCN(C(=O)[O-])C2)C1=O ZINC000739195681 602571809 /nfs/dbraw/zinc/57/18/09/602571809.db2.gz CCRCOVNVNZABDK-WDSKDSINSA-N -1 0 243.288 -0.156 20 0 BBADRM C[C@H]1CN(c2nnnn2C)CC[C@@H]1NC(=O)[O-] ZINC000739198399 603404772 /nfs/dbraw/zinc/40/47/72/603404772.db2.gz 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/nfs/dbraw/zinc/89/79/17/586897917.db2.gz MGXNGVALXLTWQJ-SECBINFHSA-N -1 0 219.237 -0.683 20 0 BBADRM COC[C@](C)(O)C(=O)N(C)CCC(=O)[O-] ZINC000818530510 586898008 /nfs/dbraw/zinc/89/80/08/586898008.db2.gz MGXNGVALXLTWQJ-VIFPVBQESA-N -1 0 219.237 -0.683 20 0 BBADRM COC[C@](C)(O)CNC(=O)NCCC(=O)[O-] ZINC000818530652 586897863 /nfs/dbraw/zinc/89/78/63/586897863.db2.gz RBLQRSBIQUGIMH-SECBINFHSA-N -1 0 234.252 -0.842 20 0 BBADRM COC[C@@](C)(O)CNC(=O)NCCC(=O)[O-] ZINC000818530656 586897786 /nfs/dbraw/zinc/89/77/86/586897786.db2.gz RBLQRSBIQUGIMH-VIFPVBQESA-N -1 0 234.252 -0.842 20 0 BBADRM COC[C@@](C)(O)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000818530695 586897853 /nfs/dbraw/zinc/89/78/53/586897853.db2.gz RKPQUNUMAHYDAR-HZGVNTEJSA-N -1 0 219.237 -0.685 20 0 BBADRM COC[C@@](C)(O)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000818530701 586898020 /nfs/dbraw/zinc/89/80/20/586898020.db2.gz RKPQUNUMAHYDAR-IMTBSYHQSA-N -1 0 219.237 -0.685 20 0 BBADRM COC[C@](C)(O)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000818530702 586897694 /nfs/dbraw/zinc/89/76/94/586897694.db2.gz RKPQUNUMAHYDAR-MUWHJKNJSA-N -1 0 219.237 -0.685 20 0 BBADRM COC[C@](C)(O)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000818530703 586897847 /nfs/dbraw/zinc/89/78/47/586897847.db2.gz RKPQUNUMAHYDAR-RCOVLWMOSA-N -1 0 219.237 -0.685 20 0 BBADRM COC[C@@](C)(O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000818530707 586898090 /nfs/dbraw/zinc/89/80/90/586898090.db2.gz ROCREMNTZKNUNG-GMSGAONNSA-N -1 0 231.248 -0.683 20 0 BBADRM COC[C@@](C)(O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000818530708 586897755 /nfs/dbraw/zinc/89/77/55/586897755.db2.gz ROCREMNTZKNUNG-OIBJUYFYSA-N -1 0 231.248 -0.683 20 0 BBADRM COC[C@](C)(O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000818530709 586897816 /nfs/dbraw/zinc/89/78/16/586897816.db2.gz ROCREMNTZKNUNG-XCBNKYQSSA-N -1 0 231.248 -0.683 20 0 BBADRM COC[C@](C)(O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000818530710 586896825 /nfs/dbraw/zinc/89/68/25/586896825.db2.gz ROCREMNTZKNUNG-XVKPBYJWSA-N -1 0 231.248 -0.683 20 0 BBADRM COC[C@@](C)(O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000818530820 586897840 /nfs/dbraw/zinc/89/78/40/586897840.db2.gz WSRGTTLMVATIKI-LLVKDONJSA-N -1 0 245.275 -0.293 20 0 BBADRM COC[C@](C)(O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000818530822 586896510 /nfs/dbraw/zinc/89/65/10/586896510.db2.gz WSRGTTLMVATIKI-NSHDSACASA-N -1 0 245.275 -0.293 20 0 BBADRM COC[C@@H](CCO)NC(=O)NCCC(=O)[O-] ZINC000818533696 586898576 /nfs/dbraw/zinc/89/85/76/586898576.db2.gz MMAGJLJHJBKYBX-SSDOTTSWSA-N -1 0 234.252 -0.842 20 0 BBADRM COC[C@H](CCO)NC(=O)NCCC(=O)[O-] ZINC000818533697 586898623 /nfs/dbraw/zinc/89/86/23/586898623.db2.gz MMAGJLJHJBKYBX-ZETCQYMHSA-N -1 0 234.252 -0.842 20 0 BBADRM COC[C@]1(C)CC(=O)N(CN(C)CC(=O)[O-])C1 ZINC000818533777 586898598 /nfs/dbraw/zinc/89/85/98/586898598.db2.gz SIUPTFCWABECFW-LLVKDONJSA-N -1 0 244.291 -0.155 20 0 BBADRM COC[C@@]1(C)CC(=O)N(CN(C)CC(=O)[O-])C1 ZINC000818533778 586898484 /nfs/dbraw/zinc/89/84/84/586898484.db2.gz SIUPTFCWABECFW-NSHDSACASA-N -1 0 244.291 -0.155 20 0 BBADRM COC[C@@H](O)CNC(=O)NCCCC(=O)[O-] ZINC000818533802 586898355 /nfs/dbraw/zinc/89/83/55/586898355.db2.gz VEQRNWILVOXCIM-ZETCQYMHSA-N -1 0 234.252 -0.842 20 0 BBADRM COCCN(CC(=O)[O-])C(=O)C1(O)CCCC1 ZINC000818536916 586899095 /nfs/dbraw/zinc/89/90/95/586899095.db2.gz AVLGCFSZULHYKC-UHFFFAOYSA-N -1 0 245.275 -0.149 20 0 BBADRM CO[C@H](CNC(=O)c1cc(=O)[nH][n-]1)C1CC1 ZINC000818540529 586898975 /nfs/dbraw/zinc/89/89/75/586898975.db2.gz SRIJKXZATQPJCR-MRVPVSSYSA-N -1 0 225.248 -0.597 20 0 BBADRM CO[C@@H](CNC(=O)c1cc(=O)[nH][n-]1)C1CC1 ZINC000818540530 586898994 /nfs/dbraw/zinc/89/89/94/586898994.db2.gz SRIJKXZATQPJCR-QMMMGPOBSA-N -1 0 225.248 -0.597 20 0 BBADRM COCCNC(=S)N1CC[C@@H](C(=O)[O-])C1 ZINC000818542798 586898951 /nfs/dbraw/zinc/89/89/51/586898951.db2.gz RJGQBOTWFDJQDX-SSDOTTSWSA-N -1 0 232.305 -0.086 20 0 BBADRM COCCNC(=S)N1CC[C@H](C(=O)[O-])C1 ZINC000818542801 586899077 /nfs/dbraw/zinc/89/90/77/586899077.db2.gz RJGQBOTWFDJQDX-ZETCQYMHSA-N -1 0 232.305 -0.086 20 0 BBADRM COCCNC(=S)N(C)[C@@H](C)C(=O)[O-] ZINC000818542809 586898891 /nfs/dbraw/zinc/89/88/91/586898891.db2.gz SGPLREKSNWNSBA-LURJTMIESA-N -1 0 220.294 -0.088 20 0 BBADRM COCCNC(=S)N(C)[C@H](C)C(=O)[O-] ZINC000818542810 586899508 /nfs/dbraw/zinc/89/95/08/586899508.db2.gz SGPLREKSNWNSBA-ZCFIWIBFSA-N -1 0 220.294 -0.088 20 0 BBADRM COCCc1nnc(S[C@H](C)C(=O)[O-])n1N ZINC000818545453 586899373 /nfs/dbraw/zinc/89/93/73/586899373.db2.gz NAUWQULDRSBADW-RXMQYKEDSA-N -1 0 246.292 -0.254 20 0 BBADRM COCCc1nnc(S[C@@H](C)C(=O)[O-])n1N ZINC000818545454 586899730 /nfs/dbraw/zinc/89/97/30/586899730.db2.gz NAUWQULDRSBADW-YFKPBYRVSA-N -1 0 246.292 -0.254 20 0 BBADRM Cc1nccnc1CCNC(=O)c1cc(=O)[nH][n-]1 ZINC000818545757 586899469 /nfs/dbraw/zinc/89/94/69/586899469.db2.gz IMCGZOKWPNULQP-UHFFFAOYSA-N -1 0 247.258 -0.680 20 0 BBADRM COCCn1ccc(NC(=O)NCC(=O)[O-])n1 ZINC000818547420 586899573 /nfs/dbraw/zinc/89/95/73/586899573.db2.gz KIYBUEOVFZTUCF-UHFFFAOYSA-N -1 0 242.235 -0.264 20 0 BBADRM COCc1nn(CN(C)[C@@H](C)C(=O)[O-])c(=O)o1 ZINC000818552577 586900071 /nfs/dbraw/zinc/90/00/71/586900071.db2.gz YBDWJWWIWGWGEQ-LURJTMIESA-N -1 0 245.235 -0.655 20 0 BBADRM COCc1nn(CN(C)[C@H](C)C(=O)[O-])c(=O)o1 ZINC000818552578 586900416 /nfs/dbraw/zinc/90/04/16/586900416.db2.gz YBDWJWWIWGWGEQ-ZCFIWIBFSA-N -1 0 245.235 -0.655 20 0 BBADRM CC[C@@H](NC(=O)c1cc(=O)[nH][n-]1)C(C)(C)O ZINC000818584273 586903404 /nfs/dbraw/zinc/90/34/04/586903404.db2.gz KVEIENJWAFYFTP-SSDOTTSWSA-N -1 0 227.264 -0.472 20 0 BBADRM CC[C@H](NC(=O)c1cc(=O)[nH][n-]1)C(C)(C)O ZINC000818584346 586903484 /nfs/dbraw/zinc/90/34/84/586903484.db2.gz KVEIENJWAFYFTP-ZETCQYMHSA-N -1 0 227.264 -0.472 20 0 BBADRM CCN(C(=O)c1cc(=O)[nH][n-]1)[C@@H](C)CO ZINC000818633990 586908777 /nfs/dbraw/zinc/90/87/77/586908777.db2.gz IMMYXBDJWKOMPJ-LURJTMIESA-N -1 0 213.237 -0.908 20 0 BBADRM COc1ncncc1NC(=O)NCC(=O)[O-] ZINC000818639027 586908924 /nfs/dbraw/zinc/90/89/24/586908924.db2.gz WFSZTPVIJLGGOU-UHFFFAOYSA-N -1 0 226.192 -0.309 20 0 BBADRM CON(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818658984 586908567 /nfs/dbraw/zinc/90/85/67/586908567.db2.gz HENJIMAWYKIFEN-UHFFFAOYSA-N -1 0 246.263 -0.377 20 0 BBADRM C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)[O-])[NH+](C)C ZINC000818665457 586908460 /nfs/dbraw/zinc/90/84/60/586908460.db2.gz APQVMPFNMIWUFY-VIFPVBQESA-N -1 0 245.323 -0.589 20 0 BBADRM O=C([O-])CNC(=O)Cn1cnc(Cl)n1 ZINC000818705309 644999970 /nfs/dbraw/zinc/99/99/70/644999970.db2.gz KVMSJMXVQCPRSL-UHFFFAOYSA-N -1 0 218.600 -0.868 20 0 BBADRM Cc1cc(OCC(=O)NCC(=O)[O-])nnc1C ZINC000818706016 597755417 /nfs/dbraw/zinc/75/54/17/597755417.db2.gz TUFMVOBSHRPFEV-UHFFFAOYSA-N -1 0 239.231 -0.327 20 0 BBADRM Cc1cc(=O)n(C)cc1NC(=O)NCC(=O)[O-] ZINC000818783871 586911735 /nfs/dbraw/zinc/91/17/35/586911735.db2.gz LLBJMOSBOHJXCU-UHFFFAOYSA-N -1 0 239.231 -0.100 20 0 BBADRM Cc1cc(=O)c(C(=O)OCC(=O)[O-])c[nH]1 ZINC000818783912 586911550 /nfs/dbraw/zinc/91/15/50/586911550.db2.gz RZZUHFIQMPVEMP-UHFFFAOYSA-N -1 0 211.173 -0.075 20 0 BBADRM Cc1cc(NC(=O)NCC(=O)[O-])c(=O)n(C)c1 ZINC000818842175 586913788 /nfs/dbraw/zinc/91/37/88/586913788.db2.gz XCBCJHCMXRIPEH-UHFFFAOYSA-N -1 0 239.231 -0.100 20 0 BBADRM Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)[O-] ZINC000818849229 586914060 /nfs/dbraw/zinc/91/40/60/586914060.db2.gz GHROOLTWYGGTFE-UHFFFAOYSA-N -1 0 241.199 -0.510 20 0 BBADRM Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cn1 ZINC000818898938 586915226 /nfs/dbraw/zinc/91/52/26/586915226.db2.gz WHJBXCXKUAPPKV-UHFFFAOYSA-N -1 0 237.215 -0.471 20 0 BBADRM Cc1ccn(C)c(=O)c1NC(=O)NCC(=O)[O-] ZINC000818963461 586918257 /nfs/dbraw/zinc/91/82/57/586918257.db2.gz BRQNDYGTAQWMIS-UHFFFAOYSA-N -1 0 239.231 -0.100 20 0 BBADRM Cc1cncc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000818970640 586918372 /nfs/dbraw/zinc/91/83/72/586918372.db2.gz JWTFKFBPUYZUPF-UHFFFAOYSA-N -1 0 237.215 -0.471 20 0 BBADRM Cc1conc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000818976700 586918267 /nfs/dbraw/zinc/91/82/67/586918267.db2.gz AVJGPBMWMCXVJA-RXMQYKEDSA-N -1 0 241.203 -0.489 20 0 BBADRM Cc1conc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000818976701 586919401 /nfs/dbraw/zinc/91/94/01/586919401.db2.gz AVJGPBMWMCXVJA-YFKPBYRVSA-N -1 0 241.203 -0.489 20 0 BBADRM Cc1csc(NC(=O)C(=O)NCC(=O)[O-])n1 ZINC000818976705 586918975 /nfs/dbraw/zinc/91/89/75/586918975.db2.gz BNYWXCZCJRKJKQ-UHFFFAOYSA-N -1 0 243.244 -0.409 20 0 BBADRM Cc1conc1NC(=O)C(=O)NCC(=O)[O-] ZINC000818976707 586918816 /nfs/dbraw/zinc/91/88/16/586918816.db2.gz BQXPHRPJDMEOIR-UHFFFAOYSA-N -1 0 227.176 -0.878 20 0 BBADRM Cc1conc1NC(=O)C(=O)NCCC(=O)[O-] ZINC000818976739 586919217 /nfs/dbraw/zinc/91/92/17/586919217.db2.gz HNHMURJCJZCZHT-UHFFFAOYSA-N -1 0 241.203 -0.488 20 0 BBADRM Cc1nc(SCC(=O)NCCC(=O)[O-])n[nH]1 ZINC000818981455 586919791 /nfs/dbraw/zinc/91/97/91/586919791.db2.gz VQKDXEKDHRDHHP-UHFFFAOYSA-N -1 0 244.276 -0.204 20 0 BBADRM CCn1nc(C)c(CNC(=O)C(=O)[O-])n1 ZINC000818992602 586920478 /nfs/dbraw/zinc/92/04/78/586920478.db2.gz RHOLHAITTNTNKF-UHFFFAOYSA-N -1 0 212.209 -0.693 20 0 BBADRM Cc1nc(COC(=O)CSCC(=O)[O-])n[nH]1 ZINC000818994654 586921180 /nfs/dbraw/zinc/92/11/80/586921180.db2.gz KLKNKURNMUASNM-UHFFFAOYSA-N -1 0 245.260 -0.026 20 0 BBADRM C[C@H]1CCC[C@]1(O)CNC(=O)c1cc(=O)[nH][n-]1 ZINC000818999378 586921895 /nfs/dbraw/zinc/92/18/95/586921895.db2.gz IUBNLPRNJMFLIW-CPCISQLKSA-N -1 0 239.275 -0.470 20 0 BBADRM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc(=O)[nH][n-]1 ZINC000818999381 586921791 /nfs/dbraw/zinc/92/17/91/586921791.db2.gz IUBNLPRNJMFLIW-HQJQHLMTSA-N -1 0 239.275 -0.470 20 0 BBADRM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc(=O)[nH][n-]1 ZINC000818999382 586921845 /nfs/dbraw/zinc/92/18/45/586921845.db2.gz IUBNLPRNJMFLIW-RDDDGLTNSA-N -1 0 239.275 -0.470 20 0 BBADRM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc(=O)[nH][n-]1 ZINC000818999383 586922206 /nfs/dbraw/zinc/92/22/06/586922206.db2.gz IUBNLPRNJMFLIW-WRWORJQWSA-N -1 0 239.275 -0.470 20 0 BBADRM Cc1ncc(C(=O)OCC(=O)[O-])c(N)n1 ZINC000819008791 586923661 /nfs/dbraw/zinc/92/36/61/586923661.db2.gz HXAWTVBRRFYBHP-UHFFFAOYSA-N -1 0 211.177 -0.391 20 0 BBADRM Cc1ncccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000819012363 586923663 /nfs/dbraw/zinc/92/36/63/586923663.db2.gz KGYUUSKPCHHNQV-UHFFFAOYSA-N -1 0 237.215 -0.471 20 0 BBADRM Cc1nnc(CC(=O)N(C)[C@H](C)C(=O)[O-])o1 ZINC000819035839 584998757 /nfs/dbraw/zinc/99/87/57/584998757.db2.gz AFVNYZTUJRTUSB-RXMQYKEDSA-N -1 0 227.220 -0.148 20 0 BBADRM Cc1nnc(CC(=O)N(C)[C@@H](C)C(=O)[O-])o1 ZINC000819035840 584998900 /nfs/dbraw/zinc/99/89/00/584998900.db2.gz AFVNYZTUJRTUSB-YFKPBYRVSA-N -1 0 227.220 -0.148 20 0 BBADRM Cc1nc(SCCC(=O)NCC(=O)[O-])n[nH]1 ZINC000819036072 586926409 /nfs/dbraw/zinc/92/64/09/586926409.db2.gz QIZQOBPDHQLCKL-UHFFFAOYSA-N -1 0 244.276 -0.204 20 0 BBADRM Cc1noc(CCC(=O)OCC(=O)[O-])n1 ZINC000819045286 586927082 /nfs/dbraw/zinc/92/70/82/586927082.db2.gz HKSGAHIPKCAFHR-UHFFFAOYSA-N -1 0 214.177 -0.062 20 0 BBADRM Cc1nonc1CNC(=O)NCCC(=O)[O-] ZINC000819051385 586927621 /nfs/dbraw/zinc/92/76/21/586927621.db2.gz MZOULXBQBNUNDQ-UHFFFAOYSA-N -1 0 228.208 -0.348 20 0 BBADRM Cn1c(CO)nnc1SCCC(=O)[O-] ZINC000819063523 597274149 /nfs/dbraw/zinc/27/41/49/597274149.db2.gz BGTRMWHPNPNUDO-UHFFFAOYSA-N -1 0 217.250 -0.126 20 0 BBADRM Cn1cc(C(N)=O)cc1C(=O)OCC(=O)[O-] ZINC000819067288 601598224 /nfs/dbraw/zinc/59/82/24/601598224.db2.gz CHPWBJDZALVPID-UHFFFAOYSA-N -1 0 226.188 -0.635 20 0 BBADRM Cn1cc(N2CCN(CC(=O)[O-])CC2=O)cn1 ZINC000819068375 601424821 /nfs/dbraw/zinc/42/48/21/601424821.db2.gz ZOABZXQKQAKAMF-UHFFFAOYSA-N -1 0 238.247 -0.847 20 0 BBADRM Cn1cccc(NC(=O)NCC(=O)[O-])c1=O ZINC000819072128 586928806 /nfs/dbraw/zinc/92/88/06/586928806.db2.gz FYRUNFWPGODLDG-UHFFFAOYSA-N -1 0 225.204 -0.409 20 0 BBADRM Cn1cccc(NC(=O)NCCC(=O)[O-])c1=O ZINC000819072187 586929233 /nfs/dbraw/zinc/92/92/33/586929233.db2.gz LNEDNRUKQYCEKS-UHFFFAOYSA-N -1 0 239.231 -0.019 20 0 BBADRM Cn1cc(NC(=O)NCCC(=O)[O-])ccc1=O ZINC000819072462 586928767 /nfs/dbraw/zinc/92/87/67/586928767.db2.gz UIFKWFNUTUVOBS-UHFFFAOYSA-N -1 0 239.231 -0.019 20 0 BBADRM Cn1cnnc1COC(=O)CSCC(=O)[O-] ZINC000819077993 586929145 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CCCn1cc(C(=O)OCC(=O)[O-])nn1 ZINC000820330317 587043766 /nfs/dbraw/zinc/04/37/66/587043766.db2.gz SXCKAXBCOZKUQT-UHFFFAOYSA-N -1 0 213.193 -0.071 20 0 BBADRM CCCn1cc(C(=O)NCCC(=O)[O-])nn1 ZINC000820330526 587043794 /nfs/dbraw/zinc/04/37/94/587043794.db2.gz XPLBJBYJFVRHEG-UHFFFAOYSA-N -1 0 226.236 -0.107 20 0 BBADRM CCNC(=O)CC(=O)N[C@@H](C)C(=O)[O-] ZINC000820353732 587044495 /nfs/dbraw/zinc/04/44/95/587044495.db2.gz AEOTVXDYIBNMRN-YFKPBYRVSA-N -1 0 202.210 -0.898 20 0 BBADRM CCNC(=O)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000820353757 587044465 /nfs/dbraw/zinc/04/44/65/587044465.db2.gz AOEHYFYDHMJVNM-SSDOTTSWSA-N -1 0 228.248 -0.412 20 0 BBADRM CCNC(=O)CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000820353758 587044571 /nfs/dbraw/zinc/04/45/71/587044571.db2.gz AOEHYFYDHMJVNM-ZETCQYMHSA-N -1 0 228.248 -0.412 20 0 BBADRM CCNC(=O)CC(=O)N(C)CC(=O)[O-] ZINC000820353790 587044453 /nfs/dbraw/zinc/04/44/53/587044453.db2.gz CLUZPNOBRZWCQH-UHFFFAOYSA-N -1 0 202.210 -0.944 20 0 BBADRM CCNC(=O)CC(=O)N(C)CCC(=O)[O-] ZINC000820353835 587044545 /nfs/dbraw/zinc/04/45/45/587044545.db2.gz GIADMPFAPDIIPU-UHFFFAOYSA-N -1 0 216.237 -0.554 20 0 BBADRM CCNC(=O)CC(=O)N(CCOC)CC(=O)[O-] ZINC000820353841 587044436 /nfs/dbraw/zinc/04/44/36/587044436.db2.gz GUBPWPVQCAHTTE-UHFFFAOYSA-N -1 0 246.263 -0.928 20 0 BBADRM CCNC(=O)CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000820353857 587044678 /nfs/dbraw/zinc/04/46/78/587044678.db2.gz HLNVJPDGFJGNED-MRVPVSSYSA-N -1 0 242.275 -0.022 20 0 BBADRM CCNC(=O)CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000820353859 587044661 /nfs/dbraw/zinc/04/46/61/587044661.db2.gz HLNVJPDGFJGNED-QMMMGPOBSA-N -1 0 242.275 -0.022 20 0 BBADRM CCNC(=O)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000820353933 587044536 /nfs/dbraw/zinc/04/45/36/587044536.db2.gz IQPOTLROROKNBO-UHFFFAOYSA-N -1 0 242.275 -0.164 20 0 BBADRM CCN1CCOC[C@@H]1C(=O)NCCC(=O)[O-] ZINC000820353981 587044872 /nfs/dbraw/zinc/04/48/72/587044872.db2.gz JPZIYENFNVFEAF-MRVPVSSYSA-N -1 0 230.264 -0.702 20 0 BBADRM CCN1CCOC[C@H]1C(=O)NCCC(=O)[O-] ZINC000820353982 587044898 /nfs/dbraw/zinc/04/48/98/587044898.db2.gz JPZIYENFNVFEAF-QMMMGPOBSA-N -1 0 230.264 -0.702 20 0 BBADRM CCNC(=O)CC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000820354008 587044946 /nfs/dbraw/zinc/04/49/46/587044946.db2.gz KKLFREBFYSCMLQ-LURJTMIESA-N -1 0 216.237 -0.556 20 0 BBADRM CCNC(=O)CC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000820354009 587044815 /nfs/dbraw/zinc/04/48/15/587044815.db2.gz KKLFREBFYSCMLQ-ZCFIWIBFSA-N -1 0 216.237 -0.556 20 0 BBADRM CCN1CCOC[C@@H]1C(=O)O[C@H](C)C(=O)[O-] ZINC000820354118 587044798 /nfs/dbraw/zinc/04/47/98/587044798.db2.gz MCNKAOGWQPFSBO-HTQZYQBOSA-N -1 0 231.248 -0.277 20 0 BBADRM CCN1CCOC[C@@H]1C(=O)O[C@@H](C)C(=O)[O-] ZINC000820354120 587044821 /nfs/dbraw/zinc/04/48/21/587044821.db2.gz MCNKAOGWQPFSBO-JGVFFNPUSA-N -1 0 231.248 -0.277 20 0 BBADRM CCN1CCOC[C@H]1C(=O)O[C@H](C)C(=O)[O-] ZINC000820354122 587044905 /nfs/dbraw/zinc/04/49/05/587044905.db2.gz MCNKAOGWQPFSBO-SFYZADRCSA-N -1 0 231.248 -0.277 20 0 BBADRM CCN1CCOC[C@H]1C(=O)O[C@@H](C)C(=O)[O-] ZINC000820354124 587044945 /nfs/dbraw/zinc/04/49/45/587044945.db2.gz MCNKAOGWQPFSBO-YUMQZZPRSA-N -1 0 231.248 -0.277 20 0 BBADRM CCN1CCOC[C@@H]1C(=O)N(C)CC(=O)[O-] ZINC000820354127 587044762 /nfs/dbraw/zinc/04/47/62/587044762.db2.gz MDPGDZSOLAIGFS-MRVPVSSYSA-N -1 0 230.264 -0.750 20 0 BBADRM CCN1CCOC[C@H]1C(=O)N(C)CC(=O)[O-] ZINC000820354135 587044902 /nfs/dbraw/zinc/04/49/02/587044902.db2.gz MDPGDZSOLAIGFS-QMMMGPOBSA-N -1 0 230.264 -0.750 20 0 BBADRM CCNC(=O)CC(=O)NCCCCC(=O)[O-] ZINC000820354241 587044802 /nfs/dbraw/zinc/04/48/02/587044802.db2.gz OIOLRAHFMNPPRQ-UHFFFAOYSA-N -1 0 230.264 -0.116 20 0 BBADRM CCN1CCOC[C@@H]1C(=O)NCCCC(=O)[O-] ZINC000820354243 587044930 /nfs/dbraw/zinc/04/49/30/587044930.db2.gz OOFCFOPLXGONHH-SECBINFHSA-N -1 0 244.291 -0.312 20 0 BBADRM CCN1CCOC[C@H]1C(=O)NCCCC(=O)[O-] ZINC000820354244 587044952 /nfs/dbraw/zinc/04/49/52/587044952.db2.gz OOFCFOPLXGONHH-VIFPVBQESA-N -1 0 244.291 -0.312 20 0 BBADRM CCN1CCOC[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000820354247 587044852 /nfs/dbraw/zinc/04/48/52/587044852.db2.gz OSRTTZOVYYFMJY-HTQZYQBOSA-N -1 0 230.264 -0.704 20 0 BBADRM CCN1CCOC[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000820354249 587044833 /nfs/dbraw/zinc/04/48/33/587044833.db2.gz OSRTTZOVYYFMJY-JGVFFNPUSA-N -1 0 230.264 -0.704 20 0 BBADRM CCN1CCOC[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000820354251 587044871 /nfs/dbraw/zinc/04/48/71/587044871.db2.gz OSRTTZOVYYFMJY-SFYZADRCSA-N -1 0 230.264 -0.704 20 0 BBADRM CCN1CCOC[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000820354252 587044832 /nfs/dbraw/zinc/04/48/32/587044832.db2.gz OSRTTZOVYYFMJY-YUMQZZPRSA-N -1 0 230.264 -0.704 20 0 BBADRM CCN1CCOC[C@@H]1C(=O)OCC(=O)[O-] ZINC000820354376 587044757 /nfs/dbraw/zinc/04/47/57/587044757.db2.gz TYTCXNDBHFRWKH-SSDOTTSWSA-N -1 0 217.221 -0.665 20 0 BBADRM CCN1CCOC[C@H]1C(=O)OCC(=O)[O-] ZINC000820354377 587044912 /nfs/dbraw/zinc/04/49/12/587044912.db2.gz TYTCXNDBHFRWKH-ZETCQYMHSA-N -1 0 217.221 -0.665 20 0 BBADRM CCNC(=O)CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000820354511 587044937 /nfs/dbraw/zinc/04/49/37/587044937.db2.gz WEXVCLKAUCBWJP-SSDOTTSWSA-N -1 0 228.248 -0.554 20 0 BBADRM CCNC(=O)CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000820354512 587044888 /nfs/dbraw/zinc/04/48/88/587044888.db2.gz WEXVCLKAUCBWJP-ZETCQYMHSA-N -1 0 228.248 -0.554 20 0 BBADRM CCNC(=O)CC(=O)NCCC(=O)[O-] ZINC000820354519 587044878 /nfs/dbraw/zinc/04/48/78/587044878.db2.gz WTJINTVIEXNYDX-UHFFFAOYSA-N -1 0 202.210 -0.897 20 0 BBADRM CCNC(=O)CC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000820354577 587044907 /nfs/dbraw/zinc/04/49/07/587044907.db2.gz ZTVOXKTYXVYDKK-SECBINFHSA-N -1 0 230.264 -0.262 20 0 BBADRM CCNC(=O)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000820354580 587044744 /nfs/dbraw/zinc/04/47/44/587044744.db2.gz ZTVOXKTYXVYDKK-VIFPVBQESA-N -1 0 230.264 -0.262 20 0 BBADRM CCOC(=O)C1(C(=O)OCC(=O)[O-])CC1 ZINC000820360762 587043482 /nfs/dbraw/zinc/04/34/82/587043482.db2.gz FEVBQNXFBJBSQA-UHFFFAOYSA-N -1 0 216.189 -0.043 20 0 BBADRM CCOC(=O)C(C)(C)NCC(=O)NCC(=O)[O-] ZINC000820360827 587044773 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ZINC000824607007 587278814 /nfs/dbraw/zinc/27/88/14/587278814.db2.gz TUMWYYHQGJCJBR-RNFRBKRXSA-N -1 0 218.253 -0.080 20 0 BBADRM C[C@H](CCO)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000824607008 587278781 /nfs/dbraw/zinc/27/87/81/587278781.db2.gz TUMWYYHQGJCJBR-RQJHMYQMSA-N -1 0 218.253 -0.080 20 0 BBADRM C[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])C(N)=O ZINC000824607523 587279548 /nfs/dbraw/zinc/27/95/48/587279548.db2.gz YPZXEWJSXVAFGY-CRCLSJGQSA-N -1 0 217.225 -0.977 20 0 BBADRM C[C@H](CC(=O)N[C@H](C)C(N)=O)NC(=O)[O-] ZINC000824607524 587279253 /nfs/dbraw/zinc/27/92/53/587279253.db2.gz YPZXEWJSXVAFGY-RFZPGFLSSA-N -1 0 217.225 -0.977 20 0 BBADRM C[C@H](CC(=O)N[C@@H](C)C(N)=O)NC(=O)[O-] ZINC000824607526 587278061 /nfs/dbraw/zinc/27/80/61/587278061.db2.gz YPZXEWJSXVAFGY-UHNVWZDZSA-N -1 0 217.225 -0.977 20 0 BBADRM C[C@@H](CC(=O)N[C@@H](C)C(N)=O)NC(=O)[O-] ZINC000824607527 587278197 /nfs/dbraw/zinc/27/81/97/587278197.db2.gz YPZXEWJSXVAFGY-WHFBIAKZSA-N -1 0 217.225 -0.977 20 0 BBADRM 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ZINC000824633775 603330997 /nfs/dbraw/zinc/33/09/97/603330997.db2.gz AXUOXIBWPHWHTK-LURJTMIESA-N -1 0 231.252 -0.586 20 0 BBADRM C[C@H](CC(=O)NCCCC(N)=O)NC(=O)[O-] ZINC000824633776 603331139 /nfs/dbraw/zinc/33/11/39/603331139.db2.gz AXUOXIBWPHWHTK-ZCFIWIBFSA-N -1 0 231.252 -0.586 20 0 BBADRM C[C@H](CC(=O)NCCC(N)=O)NC(=O)[O-] ZINC000824633783 603478557 /nfs/dbraw/zinc/47/85/57/603478557.db2.gz AZWIZZQJFNCKHW-RXMQYKEDSA-N -1 0 217.225 -0.976 20 0 BBADRM C[C@@H](CC(=O)NCCC(N)=O)NC(=O)[O-] ZINC000824633785 603478597 /nfs/dbraw/zinc/47/85/97/603478597.db2.gz AZWIZZQJFNCKHW-YFKPBYRVSA-N -1 0 217.225 -0.976 20 0 BBADRM C[C@H](CC(=O)NCCC(=O)N(C)C)NC(=O)[O-] ZINC000824637105 603348174 /nfs/dbraw/zinc/34/81/74/603348174.db2.gz RMGCFMQWHPUTLW-SSDOTTSWSA-N -1 0 245.279 -0.373 20 0 BBADRM C[C@@H](CC(=O)NCCC(=O)N(C)C)NC(=O)[O-] ZINC000824637107 603347811 /nfs/dbraw/zinc/34/78/11/603347811.db2.gz RMGCFMQWHPUTLW-ZETCQYMHSA-N -1 0 245.279 -0.373 20 0 BBADRM C[C@H](CC(=O)NC[C@@H]1COCCO1)NC(=O)[O-] ZINC000824637596 603372361 /nfs/dbraw/zinc/37/23/61/603372361.db2.gz UGOVHBGEKXDHBE-HTQZYQBOSA-N -1 0 246.263 -0.436 20 0 BBADRM C[C@@H](CC(=O)NC[C@@H]1COCCO1)NC(=O)[O-] ZINC000824637597 603372405 /nfs/dbraw/zinc/37/24/05/603372405.db2.gz UGOVHBGEKXDHBE-JGVFFNPUSA-N -1 0 246.263 -0.436 20 0 BBADRM C[C@H](CC(=O)NC[C@H]1COCCO1)NC(=O)[O-] ZINC000824637598 603372369 /nfs/dbraw/zinc/37/23/69/603372369.db2.gz UGOVHBGEKXDHBE-SFYZADRCSA-N -1 0 246.263 -0.436 20 0 BBADRM C[C@@H](CC(=O)NC[C@H]1COCCO1)NC(=O)[O-] ZINC000824637600 603372270 /nfs/dbraw/zinc/37/22/70/603372270.db2.gz UGOVHBGEKXDHBE-YUMQZZPRSA-N -1 0 246.263 -0.436 20 0 BBADRM C[C@H](CC(=O)NCCOCCO)NC(=O)[O-] ZINC000824646566 587281035 /nfs/dbraw/zinc/28/10/35/587281035.db2.gz LEPTVMGVTFMYIG-SSDOTTSWSA-N -1 0 234.252 -0.842 20 0 BBADRM C[C@@H](CC(=O)NCCOCCO)NC(=O)[O-] ZINC000824646567 587280843 /nfs/dbraw/zinc/28/08/43/587280843.db2.gz LEPTVMGVTFMYIG-ZETCQYMHSA-N -1 0 234.252 -0.842 20 0 BBADRM C[C@@H](CC(=O)NCCCO)NC(=O)[O-] ZINC000824647103 587280606 /nfs/dbraw/zinc/28/06/06/587280606.db2.gz SYXJOKHLVHWIGM-LURJTMIESA-N -1 0 204.226 -0.469 20 0 BBADRM C[C@H](CC(=O)NCCCO)NC(=O)[O-] ZINC000824647104 587280622 /nfs/dbraw/zinc/28/06/22/587280622.db2.gz SYXJOKHLVHWIGM-ZCFIWIBFSA-N -1 0 204.226 -0.469 20 0 BBADRM C[C@H](CC(=O)NCc1cn[nH]n1)NC(=O)[O-] ZINC000824653904 587281566 /nfs/dbraw/zinc/28/15/66/587281566.db2.gz BBPIFSZAZHKFHN-RXMQYKEDSA-N -1 0 227.224 -0.533 20 0 BBADRM C[C@@H](CC(=O)NCc1cn[nH]n1)NC(=O)[O-] ZINC000824653905 587281481 /nfs/dbraw/zinc/28/14/81/587281481.db2.gz BBPIFSZAZHKFHN-YFKPBYRVSA-N -1 0 227.224 -0.533 20 0 BBADRM C[C@@H](O)CCNC(=O)C[C@H](C)NC(=O)[O-] ZINC000824654153 587281380 /nfs/dbraw/zinc/28/13/80/587281380.db2.gz COCZZMODLUXLKF-NKWVEPMBSA-N -1 0 218.253 -0.080 20 0 BBADRM C[C@@H](O)CCNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824654154 587281501 /nfs/dbraw/zinc/28/15/01/587281501.db2.gz COCZZMODLUXLKF-RNFRBKRXSA-N -1 0 218.253 -0.080 20 0 BBADRM C[C@H](CC(=O)NCC[S@](C)=O)NC(=O)[O-] ZINC000824654248 587281181 /nfs/dbraw/zinc/28/11/81/587281181.db2.gz FDHMXLNHDHKRFY-BAHMLBHCSA-N -1 0 236.293 -0.473 20 0 BBADRM C[C@H](CC(=O)NCC[S@@](C)=O)NC(=O)[O-] ZINC000824654253 587281401 /nfs/dbraw/zinc/28/14/01/587281401.db2.gz FDHMXLNHDHKRFY-NPMWZIQKSA-N -1 0 236.293 -0.473 20 0 BBADRM C[C@@H](CC(=O)NCC[S@@](C)=O)NC(=O)[O-] ZINC000824654255 587281477 /nfs/dbraw/zinc/28/14/77/587281477.db2.gz FDHMXLNHDHKRFY-WDDATRMLSA-N -1 0 236.293 -0.473 20 0 BBADRM C[C@@H](CC(=O)NCC[S@](C)=O)NC(=O)[O-] ZINC000824654257 602873405 /nfs/dbraw/zinc/87/34/05/602873405.db2.gz FDHMXLNHDHKRFY-XHLQUELWSA-N -1 0 236.293 -0.473 20 0 BBADRM C[C@H](CC(=O)NCCn1cncn1)NC(=O)[O-] ZINC000824656328 587281366 /nfs/dbraw/zinc/28/13/66/587281366.db2.gz RMYXFBABUBGQEW-SSDOTTSWSA-N -1 0 241.251 -0.560 20 0 BBADRM C[C@@H](CC(=O)NCCn1cncn1)NC(=O)[O-] ZINC000824656329 587281582 /nfs/dbraw/zinc/28/15/82/587281582.db2.gz RMYXFBABUBGQEW-ZETCQYMHSA-N -1 0 241.251 -0.560 20 0 BBADRM C[C@@H](CC(=O)NCCc1nnc[nH]1)NC(=O)[O-] ZINC000824656642 587281376 /nfs/dbraw/zinc/28/13/76/587281376.db2.gz UJYIFJXESDLFRW-LURJTMIESA-N -1 0 241.251 -0.490 20 0 BBADRM C[C@H](CC(=O)NCCc1nnc[nH]1)NC(=O)[O-] ZINC000824656643 587281473 /nfs/dbraw/zinc/28/14/73/587281473.db2.gz UJYIFJXESDLFRW-ZCFIWIBFSA-N -1 0 241.251 -0.490 20 0 BBADRM COC(OC)C(=O)[N-]OCCN1CCCC1=O ZINC000824659252 587281538 /nfs/dbraw/zinc/28/15/38/587281538.db2.gz BFBHKWMFBYQDRT-UHFFFAOYSA-N -1 0 246.263 -0.725 20 0 BBADRM C[C@H](CC(=O)NCc1nc[nH]n1)NC(=O)[O-] ZINC000824671405 587282121 /nfs/dbraw/zinc/28/21/21/587282121.db2.gz GZADHJVQAAIZGQ-RXMQYKEDSA-N -1 0 227.224 -0.533 20 0 BBADRM C[C@@H](CC(=O)NCc1nc[nH]n1)NC(=O)[O-] ZINC000824671406 587281911 /nfs/dbraw/zinc/28/19/11/587281911.db2.gz GZADHJVQAAIZGQ-YFKPBYRVSA-N -1 0 227.224 -0.533 20 0 BBADRM C[C@@H](CC(=O)NCc1nncn1C)NC(=O)[O-] ZINC000824671648 587281761 /nfs/dbraw/zinc/28/17/61/587281761.db2.gz JCPPLUJNOXMMIQ-LURJTMIESA-N -1 0 241.251 -0.523 20 0 BBADRM C[C@H](CC(=O)NCc1nncn1C)NC(=O)[O-] ZINC000824671649 587281902 /nfs/dbraw/zinc/28/19/02/587281902.db2.gz JCPPLUJNOXMMIQ-ZCFIWIBFSA-N -1 0 241.251 -0.523 20 0 BBADRM C[C@H](CC(=O)NN1CCOCC1)NC(=O)[O-] ZINC000824672411 587281957 /nfs/dbraw/zinc/28/19/57/587281957.db2.gz XESWOGNGWQQXHB-SSDOTTSWSA-N -1 0 231.252 -0.604 20 0 BBADRM C[C@@H](CC(=O)NN1CCOCC1)NC(=O)[O-] ZINC000824672413 587281909 /nfs/dbraw/zinc/28/19/09/587281909.db2.gz XESWOGNGWQQXHB-ZETCQYMHSA-N -1 0 231.252 -0.604 20 0 BBADRM C[C@@H](O)CCN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC000824698239 587283159 /nfs/dbraw/zinc/28/31/59/587283159.db2.gz JRMRTWFLARCHKU-SSDOTTSWSA-N -1 0 249.278 -0.136 20 0 BBADRM C[C@H](O)CCN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC000824698241 587283422 /nfs/dbraw/zinc/28/34/22/587283422.db2.gz JRMRTWFLARCHKU-ZETCQYMHSA-N -1 0 249.278 -0.136 20 0 BBADRM C[C@H](O)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC000824698678 587283449 /nfs/dbraw/zinc/28/34/49/587283449.db2.gz MWSNWJVEAAMWMQ-LURJTMIESA-N -1 0 235.251 -0.161 20 0 BBADRM C[C@@H](O)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC000824698679 587283671 /nfs/dbraw/zinc/28/36/71/587283671.db2.gz MWSNWJVEAAMWMQ-ZCFIWIBFSA-N -1 0 235.251 -0.161 20 0 BBADRM C[C@H](CC(=O)N=c1nc[nH]n1C)NC(=O)[O-] ZINC000824710876 587284032 /nfs/dbraw/zinc/28/40/32/587284032.db2.gz NFAJQPMDQRBIOT-RXMQYKEDSA-N -1 0 227.224 -0.778 20 0 BBADRM C[C@@H](CC(=O)N=c1nc[nH]n1C)NC(=O)[O-] ZINC000824710877 587284031 /nfs/dbraw/zinc/28/40/31/587284031.db2.gz NFAJQPMDQRBIOT-YFKPBYRVSA-N -1 0 227.224 -0.778 20 0 BBADRM C[C@@H](CC(=O)Nc1nc[nH]n1)NC(=O)[O-] ZINC000824711063 587283889 /nfs/dbraw/zinc/28/38/89/587283889.db2.gz PJFVAHJOQJDFBD-BYPYZUCNSA-N -1 0 213.197 -0.211 20 0 BBADRM C[C@H](CC(=O)Nc1nc[nH]n1)NC(=O)[O-] ZINC000824711064 587283947 /nfs/dbraw/zinc/28/39/47/587283947.db2.gz PJFVAHJOQJDFBD-SCSAIBSYSA-N -1 0 213.197 -0.211 20 0 BBADRM C[C@H](CC(=O)Nc1nn[nH]n1)NC(=O)[O-] ZINC000824711427 587283763 /nfs/dbraw/zinc/28/37/63/587283763.db2.gz WOVGTIIJIHXYPZ-GSVOUGTGSA-N -1 0 214.185 -0.816 20 0 BBADRM C[C@@H](CC(=O)Nc1nn[nH]n1)NC(=O)[O-] ZINC000824711428 587284072 /nfs/dbraw/zinc/28/40/72/587284072.db2.gz WOVGTIIJIHXYPZ-VKHMYHEASA-N -1 0 214.185 -0.816 20 0 BBADRM C[C@@H](CC(=O)O[C@H]1CCN(C)C1=O)NC(=O)[O-] ZINC000824717622 603974431 /nfs/dbraw/zinc/97/44/31/603974431.db2.gz AKNLDRBCQYZJCM-BQBZGAKWSA-N -1 0 244.247 -0.194 20 0 BBADRM C[C@@H](CC(=O)O[C@@H]1CCN(C)C1=O)NC(=O)[O-] ZINC000824717623 603974419 /nfs/dbraw/zinc/97/44/19/603974419.db2.gz AKNLDRBCQYZJCM-NKWVEPMBSA-N -1 0 244.247 -0.194 20 0 BBADRM C[C@H](CC(=O)O[C@@H]1CCN(C)C1=O)NC(=O)[O-] ZINC000824717624 603974243 /nfs/dbraw/zinc/97/42/43/603974243.db2.gz AKNLDRBCQYZJCM-RNFRBKRXSA-N -1 0 244.247 -0.194 20 0 BBADRM C[C@H](CC(=O)O[C@H]1CCN(C)C1=O)NC(=O)[O-] ZINC000824717625 603974233 /nfs/dbraw/zinc/97/42/33/603974233.db2.gz AKNLDRBCQYZJCM-RQJHMYQMSA-N -1 0 244.247 -0.194 20 0 BBADRM C[C@@H](CC(=O)O[C@@H]1CCNC1=O)NC(=O)[O-] ZINC000824717761 605190640 /nfs/dbraw/zinc/19/06/40/605190640.db2.gz CIYWTFSXSNHNIT-NTSWFWBYSA-N -1 0 230.220 -0.536 20 0 BBADRM C[C@H](CC(=O)O[C@@H]1CCNC1=O)NC(=O)[O-] ZINC000824717763 605190577 /nfs/dbraw/zinc/19/05/77/605190577.db2.gz CIYWTFSXSNHNIT-PHDIDXHHSA-N -1 0 230.220 -0.536 20 0 BBADRM C[C@H](CC(=O)O[C@H]1CCNC1=O)NC(=O)[O-] ZINC000824717765 605190088 /nfs/dbraw/zinc/19/00/88/605190088.db2.gz CIYWTFSXSNHNIT-RITPCOANSA-N -1 0 230.220 -0.536 20 0 BBADRM C[C@@H](CC(=O)O[C@H]1CCNC1=O)NC(=O)[O-] ZINC000824717766 587284283 /nfs/dbraw/zinc/28/42/83/587284283.db2.gz CIYWTFSXSNHNIT-WDSKDSINSA-N -1 0 230.220 -0.536 20 0 BBADRM C[C@@H](OC(=O)C[C@H](C)NC(=O)[O-])C(N)=O ZINC000824717992 587284423 /nfs/dbraw/zinc/28/44/23/587284423.db2.gz DCQPYPIGNLJKAS-CRCLSJGQSA-N -1 0 218.209 -0.550 20 0 BBADRM C[C@H](CC(=O)O[C@H](C)C(N)=O)NC(=O)[O-] ZINC000824717993 587284298 /nfs/dbraw/zinc/28/42/98/587284298.db2.gz DCQPYPIGNLJKAS-RFZPGFLSSA-N -1 0 218.209 -0.550 20 0 BBADRM C[C@H](CC(=O)O[C@@H](C)C(N)=O)NC(=O)[O-] ZINC000824717994 587284481 /nfs/dbraw/zinc/28/44/81/587284481.db2.gz DCQPYPIGNLJKAS-UHNVWZDZSA-N -1 0 218.209 -0.550 20 0 BBADRM C[C@@H](CC(=O)O[C@@H](C)C(N)=O)NC(=O)[O-] ZINC000824717995 587284263 /nfs/dbraw/zinc/28/42/63/587284263.db2.gz DCQPYPIGNLJKAS-WHFBIAKZSA-N -1 0 218.209 -0.550 20 0 BBADRM C[C@@H](CC(=O)O[C@@H]1CCOC1=O)NC(=O)[O-] ZINC000824718973 587284501 /nfs/dbraw/zinc/28/45/01/587284501.db2.gz JUFBLULYVKXLMU-NTSWFWBYSA-N -1 0 231.204 -0.109 20 0 BBADRM C[C@H](CC(=O)O[C@@H]1CCOC1=O)NC(=O)[O-] ZINC000824718974 587284521 /nfs/dbraw/zinc/28/45/21/587284521.db2.gz JUFBLULYVKXLMU-PHDIDXHHSA-N -1 0 231.204 -0.109 20 0 BBADRM C[C@H](CC(=O)O[C@H]1CCOC1=O)NC(=O)[O-] ZINC000824718975 587284428 /nfs/dbraw/zinc/28/44/28/587284428.db2.gz JUFBLULYVKXLMU-RITPCOANSA-N -1 0 231.204 -0.109 20 0 BBADRM C[C@@H](CC(=O)O[C@H]1CCOC1=O)NC(=O)[O-] ZINC000824718976 587284309 /nfs/dbraw/zinc/28/43/09/587284309.db2.gz JUFBLULYVKXLMU-WDSKDSINSA-N -1 0 231.204 -0.109 20 0 BBADRM C[C@@H](CC(=O)O[C@H]1CCCNC1=O)NC(=O)[O-] ZINC000824719790 587284249 /nfs/dbraw/zinc/28/42/49/587284249.db2.gz MLZCQSNCJXUZFJ-BQBZGAKWSA-N -1 0 244.247 -0.146 20 0 BBADRM C[C@@H](CC(=O)O[C@@H]1CCCNC1=O)NC(=O)[O-] ZINC000824719791 587284558 /nfs/dbraw/zinc/28/45/58/587284558.db2.gz MLZCQSNCJXUZFJ-NKWVEPMBSA-N -1 0 244.247 -0.146 20 0 BBADRM C[C@H](CC(=O)O[C@@H]1CCCNC1=O)NC(=O)[O-] ZINC000824719793 587284286 /nfs/dbraw/zinc/28/42/86/587284286.db2.gz MLZCQSNCJXUZFJ-RNFRBKRXSA-N -1 0 244.247 -0.146 20 0 BBADRM C[C@H](CC(=O)O[C@H]1CCCNC1=O)NC(=O)[O-] ZINC000824719795 587284519 /nfs/dbraw/zinc/28/45/19/587284519.db2.gz MLZCQSNCJXUZFJ-RQJHMYQMSA-N -1 0 244.247 -0.146 20 0 BBADRM C[C@@H](CC(=O)OCC(=O)N(C)C)NC(=O)[O-] ZINC000824720513 587284334 /nfs/dbraw/zinc/28/43/34/587284334.db2.gz OIGNWWMIXFYUBP-LURJTMIESA-N -1 0 232.236 -0.336 20 0 BBADRM C[C@H](CC(=O)OCC(=O)N(C)C)NC(=O)[O-] ZINC000824720514 587284255 /nfs/dbraw/zinc/28/42/55/587284255.db2.gz OIGNWWMIXFYUBP-ZCFIWIBFSA-N -1 0 232.236 -0.336 20 0 BBADRM C[C@H](CC(=O)OCC(=O)N1CCC1)NC(=O)[O-] ZINC000824722545 587284179 /nfs/dbraw/zinc/28/41/79/587284179.db2.gz WXIMFDTVLHXQED-SSDOTTSWSA-N -1 0 244.247 -0.192 20 0 BBADRM C[C@@H](CC(=O)OCC(=O)N1CCC1)NC(=O)[O-] ZINC000824722546 587284316 /nfs/dbraw/zinc/28/43/16/587284316.db2.gz WXIMFDTVLHXQED-ZETCQYMHSA-N -1 0 244.247 -0.192 20 0 BBADRM C[C@@H](CC(=O)OCC(N)=O)NC(=O)[O-] ZINC000824728504 587284997 /nfs/dbraw/zinc/28/49/97/587284997.db2.gz MMPAQDUGGOGMLI-BYPYZUCNSA-N -1 0 204.182 -0.939 20 0 BBADRM C[C@H](CC(=O)OCC(N)=O)NC(=O)[O-] ZINC000824728509 587285029 /nfs/dbraw/zinc/28/50/29/587285029.db2.gz MMPAQDUGGOGMLI-SCSAIBSYSA-N -1 0 204.182 -0.939 20 0 BBADRM C[C@@H](CC(=O)OCCCO)NC(=O)[O-] ZINC000824728554 587284604 /nfs/dbraw/zinc/28/46/04/587284604.db2.gz MZLAAYHKAQMLEJ-LURJTMIESA-N -1 0 205.210 -0.042 20 0 BBADRM C[C@H](CC(=O)OCCCO)NC(=O)[O-] ZINC000824728555 587284885 /nfs/dbraw/zinc/28/48/85/587284885.db2.gz MZLAAYHKAQMLEJ-ZCFIWIBFSA-N -1 0 205.210 -0.042 20 0 BBADRM C[C@@H](CC(=O)OCC(=O)NC1CC1)NC(=O)[O-] ZINC000824728611 587284664 /nfs/dbraw/zinc/28/46/64/587284664.db2.gz NNSQHLAPNDLURX-LURJTMIESA-N -1 0 244.247 -0.146 20 0 BBADRM C[C@H](CC(=O)OCC(=O)NC1CC1)NC(=O)[O-] ZINC000824728613 587284836 /nfs/dbraw/zinc/28/48/36/587284836.db2.gz NNSQHLAPNDLURX-ZCFIWIBFSA-N -1 0 244.247 -0.146 20 0 BBADRM C[C@H](CC(=O)OCCn1cncn1)NC(=O)[O-] ZINC000824736606 587285050 /nfs/dbraw/zinc/28/50/50/587285050.db2.gz RLGOCMBUVPJZRA-SSDOTTSWSA-N -1 0 242.235 -0.133 20 0 BBADRM C[C@@H](CC(=O)OCCn1cncn1)NC(=O)[O-] ZINC000824736607 587284857 /nfs/dbraw/zinc/28/48/57/587284857.db2.gz RLGOCMBUVPJZRA-ZETCQYMHSA-N -1 0 242.235 -0.133 20 0 BBADRM C[C@H](CC(=O)OCc1nnnn1C)NC(=O)[O-] ZINC000824743123 587285159 /nfs/dbraw/zinc/28/51/59/587285159.db2.gz HMMFBJOAXMGFLX-RXMQYKEDSA-N -1 0 243.223 -0.701 20 0 BBADRM C[C@@H](CC(=O)OCc1nnnn1C)NC(=O)[O-] ZINC000824743124 587285116 /nfs/dbraw/zinc/28/51/16/587285116.db2.gz HMMFBJOAXMGFLX-YFKPBYRVSA-N -1 0 243.223 -0.701 20 0 BBADRM C[C@@H](CC(N)=O)NC(=O)C(C)(C)CNC(=O)[O-] ZINC000824750386 587285785 /nfs/dbraw/zinc/28/57/85/587285785.db2.gz CZERWUNHAJXZHK-LURJTMIESA-N -1 0 245.279 -0.340 20 0 BBADRM C[C@H](CC(N)=O)NC(=O)C(C)(C)CNC(=O)[O-] ZINC000824750387 587285864 /nfs/dbraw/zinc/28/58/64/587285864.db2.gz CZERWUNHAJXZHK-ZCFIWIBFSA-N -1 0 245.279 -0.340 20 0 BBADRM C[C@@H](CC(N)=O)NC(=O)CC1CN(C(=O)[O-])C1 ZINC000824751221 587285768 /nfs/dbraw/zinc/28/57/68/587285768.db2.gz IRZPJUUXGYDTPX-LURJTMIESA-N -1 0 243.263 -0.634 20 0 BBADRM C[C@H](CC(N)=O)NC(=O)CC1CN(C(=O)[O-])C1 ZINC000824751223 587285665 /nfs/dbraw/zinc/28/56/65/587285665.db2.gz IRZPJUUXGYDTPX-ZCFIWIBFSA-N -1 0 243.263 -0.634 20 0 BBADRM C[C@@H](CC(N)=O)NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000824751284 587285611 /nfs/dbraw/zinc/28/56/11/587285611.db2.gz JDYJIWUWARWKOW-BQBZGAKWSA-N -1 0 245.279 -0.388 20 0 BBADRM C[C@H](CC(N)=O)NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000824751286 587285607 /nfs/dbraw/zinc/28/56/07/587285607.db2.gz JDYJIWUWARWKOW-NKWVEPMBSA-N -1 0 245.279 -0.388 20 0 BBADRM C[C@H](CC(N)=O)NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000824751287 587285714 /nfs/dbraw/zinc/28/57/14/587285714.db2.gz JDYJIWUWARWKOW-RNFRBKRXSA-N -1 0 245.279 -0.388 20 0 BBADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@@H](C)CC(N)=O ZINC000824751288 587285676 /nfs/dbraw/zinc/28/56/76/587285676.db2.gz JDYJIWUWARWKOW-RQJHMYQMSA-N -1 0 245.279 -0.388 20 0 BBADRM C[C@H](CC(N)=O)NC(=O)C1(NC(=O)[O-])CC1 ZINC000824751328 587285544 /nfs/dbraw/zinc/28/55/44/587285544.db2.gz JPSLJYHCTBVLBH-RXMQYKEDSA-N -1 0 229.236 -0.833 20 0 BBADRM C[C@@H](CC(N)=O)NC(=O)C1(NC(=O)[O-])CC1 ZINC000824751330 587285643 /nfs/dbraw/zinc/28/56/43/587285643.db2.gz JPSLJYHCTBVLBH-YFKPBYRVSA-N -1 0 229.236 -0.833 20 0 BBADRM C[C@@H](CC(N)=O)NC(=O)NCCN(C)C(=O)[O-] ZINC000824751642 587285814 /nfs/dbraw/zinc/28/58/14/587285814.db2.gz MAHKLIZPJSDTFQ-LURJTMIESA-N -1 0 246.267 -0.841 20 0 BBADRM C[C@H](CC(N)=O)NC(=O)NCCN(C)C(=O)[O-] ZINC000824751643 587285604 /nfs/dbraw/zinc/28/56/04/587285604.db2.gz MAHKLIZPJSDTFQ-ZCFIWIBFSA-N -1 0 246.267 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ZINC000825521287 587321654 /nfs/dbraw/zinc/32/16/54/587321654.db2.gz NQKYKLGIPMJTKM-ZETCQYMHSA-N -1 0 233.268 -0.334 20 0 BBADRM C[C@H](O)CN(C)C(=O)C1(NC(=O)[O-])CC1 ZINC000825521288 587321355 /nfs/dbraw/zinc/32/13/55/587321355.db2.gz NRKOUNRMKLCZPU-LURJTMIESA-N -1 0 216.237 -0.374 20 0 BBADRM C[C@@H](O)CN(C)C(=O)C1(NC(=O)[O-])CC1 ZINC000825521289 587321629 /nfs/dbraw/zinc/32/16/29/587321629.db2.gz NRKOUNRMKLCZPU-ZCFIWIBFSA-N -1 0 216.237 -0.374 20 0 BBADRM C[C@H](O)CN(C)C(=O)C(C)(C)NC(=O)[O-] ZINC000825521405 587323138 /nfs/dbraw/zinc/32/31/38/587323138.db2.gz PCNVWJUTZZNMNQ-LURJTMIESA-N -1 0 218.253 -0.128 20 0 BBADRM C[C@@H](O)CN(C)C(=O)C(C)(C)NC(=O)[O-] ZINC000825521407 587322908 /nfs/dbraw/zinc/32/29/08/587322908.db2.gz PCNVWJUTZZNMNQ-ZCFIWIBFSA-N -1 0 218.253 -0.128 20 0 BBADRM C[C@@H](O)CCN(C)C(=O)CCNC(=O)[O-] ZINC000825521428 587323080 /nfs/dbraw/zinc/32/30/80/587323080.db2.gz PMVGGIDURMXKPZ-SSDOTTSWSA-N -1 0 218.253 -0.127 20 0 BBADRM C[C@H](O)CCN(C)C(=O)CCNC(=O)[O-] ZINC000825521429 587322931 /nfs/dbraw/zinc/32/29/31/587322931.db2.gz PMVGGIDURMXKPZ-ZETCQYMHSA-N -1 0 218.253 -0.127 20 0 BBADRM C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000825521504 587322959 /nfs/dbraw/zinc/32/29/59/587322959.db2.gz QONNSEDORVJHID-HTQZYQBOSA-N -1 0 230.264 -0.032 20 0 BBADRM C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000825521505 587322895 /nfs/dbraw/zinc/32/28/95/587322895.db2.gz QONNSEDORVJHID-JGVFFNPUSA-N -1 0 230.264 -0.032 20 0 BBADRM C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000825521506 587322906 /nfs/dbraw/zinc/32/29/06/587322906.db2.gz QONNSEDORVJHID-SFYZADRCSA-N -1 0 230.264 -0.032 20 0 BBADRM C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000825521507 587323055 /nfs/dbraw/zinc/32/30/55/587323055.db2.gz QONNSEDORVJHID-YUMQZZPRSA-N -1 0 230.264 -0.032 20 0 BBADRM C[C@@H](O)CN(C)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000825521625 587323069 /nfs/dbraw/zinc/32/30/69/587323069.db2.gz RFPYSCFJYYFVQW-HTQZYQBOSA-N -1 0 246.263 -0.796 20 0 BBADRM 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218.253 -0.128 20 0 BBADRM C[C@@H](O)CN(C)C(=O)C[C@H](C)NC(=O)[O-] ZINC000825521880 587323113 /nfs/dbraw/zinc/32/31/13/587323113.db2.gz UHLQAKSZCLVGIN-NKWVEPMBSA-N -1 0 218.253 -0.128 20 0 BBADRM C[C@@H](O)CN(C)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000825521881 587323025 /nfs/dbraw/zinc/32/30/25/587323025.db2.gz UHLQAKSZCLVGIN-RNFRBKRXSA-N -1 0 218.253 -0.128 20 0 BBADRM C[C@H](CC(=O)N(C)C[C@H](C)O)NC(=O)[O-] ZINC000825521883 587323088 /nfs/dbraw/zinc/32/30/88/587323088.db2.gz UHLQAKSZCLVGIN-RQJHMYQMSA-N -1 0 218.253 -0.128 20 0 BBADRM C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000825521918 604229899 /nfs/dbraw/zinc/22/98/99/604229899.db2.gz UQWDQPAKZDLZDA-GMSGAONNSA-N -1 0 248.254 -0.082 20 0 BBADRM C[C@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000825521926 604229747 /nfs/dbraw/zinc/22/97/47/604229747.db2.gz UQWDQPAKZDLZDA-OIBJUYFYSA-N -1 0 248.254 -0.082 20 0 BBADRM C[C@@H](O)CN(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000825521927 604230129 /nfs/dbraw/zinc/23/01/29/604230129.db2.gz 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587379583 /nfs/dbraw/zinc/37/95/83/587379583.db2.gz GOQWPOFNVMNPHS-UHFFFAOYSA-N -1 0 211.221 -0.404 20 0 BBADRM CCOCCNC(=O)C1(NC(=O)[O-])CC1 ZINC000827399389 587379632 /nfs/dbraw/zinc/37/96/32/587379632.db2.gz FWTANWMSPOHOIE-UHFFFAOYSA-N -1 0 216.237 -0.061 20 0 BBADRM CCOCCNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827399523 587379602 /nfs/dbraw/zinc/37/96/02/587379602.db2.gz IXQAOXKTWWCMQH-MRVPVSSYSA-N -1 0 246.263 -0.482 20 0 BBADRM CCOCCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827399524 587379662 /nfs/dbraw/zinc/37/96/62/587379662.db2.gz IXQAOXKTWWCMQH-QMMMGPOBSA-N -1 0 246.263 -0.482 20 0 BBADRM CCOCCCn1nnnc1CNC(=O)[O-] ZINC000827400018 587379867 /nfs/dbraw/zinc/37/98/67/587379867.db2.gz WIIUTBXHYMCWLJ-UHFFFAOYSA-N -1 0 229.240 -0.133 20 0 BBADRM CCOCCOC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827404009 587379846 /nfs/dbraw/zinc/37/98/46/587379846.db2.gz BSVCSQKRQJIRLJ-MRVPVSSYSA-N -1 0 247.247 -0.055 20 0 BBADRM CCOCCOC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000827404013 587379990 /nfs/dbraw/zinc/37/99/90/587379990.db2.gz BSVCSQKRQJIRLJ-QMMMGPOBSA-N -1 0 247.247 -0.055 20 0 BBADRM CCOCCOC(=O)COC1CN(C(=O)[O-])C1 ZINC000827404344 587379998 /nfs/dbraw/zinc/37/99/98/587379998.db2.gz DQYYQQSIIOEXLK-UHFFFAOYSA-N -1 0 247.247 -0.055 20 0 BBADRM CCOCCOC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000827404625 587380040 /nfs/dbraw/zinc/38/00/40/587380040.db2.gz GIISDIIIBTZIBE-MRVPVSSYSA-N -1 0 247.247 -0.055 20 0 BBADRM CCOCCOC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000827404626 587379943 /nfs/dbraw/zinc/37/99/43/587379943.db2.gz GIISDIIIBTZIBE-QMMMGPOBSA-N -1 0 247.247 -0.055 20 0 BBADRM CCOCCNC(=O)COC1CN(C(=O)[O-])C1 ZINC000827405245 587379866 /nfs/dbraw/zinc/37/98/66/587379866.db2.gz MLROJCIFQNEXRK-UHFFFAOYSA-N -1 0 246.263 -0.482 20 0 BBADRM CCOCCNC(=O)NC1CN(C(=O)[O-])C1 ZINC000827406193 587380119 /nfs/dbraw/zinc/38/01/19/587380119.db2.gz YFZLDRHNTXXPRK-UHFFFAOYSA-N -1 0 231.252 -0.316 20 0 BBADRM CCOCCn1nnnc1CNC(=O)[O-] ZINC000827406223 587380262 /nfs/dbraw/zinc/38/02/62/587380262.db2.gz 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/nfs/dbraw/zinc/38/10/39/587381039.db2.gz VFQYTTOFKPBFKY-ZCFIWIBFSA-N -1 0 228.248 -0.427 20 0 BBADRM C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000827436570 587381144 /nfs/dbraw/zinc/38/11/44/587381144.db2.gz DZHHCQIOXYLOPZ-BDAKNGLRSA-N -1 0 244.291 -0.504 20 0 BBADRM C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000827436571 587381124 /nfs/dbraw/zinc/38/11/24/587381124.db2.gz DZHHCQIOXYLOPZ-DTWKUNHWSA-N -1 0 244.291 -0.504 20 0 BBADRM C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000827436572 587381052 /nfs/dbraw/zinc/38/10/52/587381052.db2.gz DZHHCQIOXYLOPZ-IUCAKERBSA-N -1 0 244.291 -0.504 20 0 BBADRM C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000827436573 587381112 /nfs/dbraw/zinc/38/11/12/587381112.db2.gz DZHHCQIOXYLOPZ-RKDXNWHRSA-N -1 0 244.291 -0.504 20 0 BBADRM C[C@H](CN(C)C(=O)CCc1nnc[nH]1)C(=O)[O-] ZINC000827436768 587381079 /nfs/dbraw/zinc/38/10/79/587381079.db2.gz JEQAAJMLOWRNFG-SSDOTTSWSA-N -1 0 240.263 -0.084 20 0 BBADRM C[C@@H](CN(C)C(=O)CCc1nnc[nH]1)C(=O)[O-] ZINC000827436769 587381167 /nfs/dbraw/zinc/38/11/67/587381167.db2.gz JEQAAJMLOWRNFG-ZETCQYMHSA-N -1 0 240.263 -0.084 20 0 BBADRM C[C@H](CN(C)C(=O)CC(N)=O)C(=O)[O-] ZINC000827437299 587381076 /nfs/dbraw/zinc/38/10/76/587381076.db2.gz YEQFYOAMMQNGDN-RXMQYKEDSA-N -1 0 202.210 -0.959 20 0 BBADRM C[C@@H](CN(C)C(=O)CC(N)=O)C(=O)[O-] ZINC000827437300 587381230 /nfs/dbraw/zinc/38/12/30/587381230.db2.gz YEQFYOAMMQNGDN-YFKPBYRVSA-N -1 0 202.210 -0.959 20 0 BBADRM C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000827465765 587382111 /nfs/dbraw/zinc/38/21/11/587382111.db2.gz DBTNGAWYMJIQFG-HTQZYQBOSA-N -1 0 230.264 -0.846 20 0 BBADRM C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000827465766 587382179 /nfs/dbraw/zinc/38/21/79/587382179.db2.gz DBTNGAWYMJIQFG-JGVFFNPUSA-N -1 0 230.264 -0.846 20 0 BBADRM C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000827465767 587382161 /nfs/dbraw/zinc/38/21/61/587382161.db2.gz DBTNGAWYMJIQFG-SFYZADRCSA-N -1 0 230.264 -0.846 20 0 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QGBUTPFHXMTLEX-ZETCQYMHSA-N -1 0 240.267 -0.897 20 0 BBADRM COC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000828712874 587458303 /nfs/dbraw/zinc/45/83/03/587458303.db2.gz BBWVYDDXHWLIIX-SSDOTTSWSA-N -1 0 231.252 -0.364 20 0 BBADRM COC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000828712875 587458059 /nfs/dbraw/zinc/45/80/59/587458059.db2.gz BBWVYDDXHWLIIX-ZETCQYMHSA-N -1 0 231.252 -0.364 20 0 BBADRM COC(=O)NCCC(=O)OC1CN(C(=O)[O-])C1 ZINC000828712911 587458183 /nfs/dbraw/zinc/45/81/83/587458183.db2.gz CDJODYNCZGZCOC-UHFFFAOYSA-N -1 0 246.219 -0.362 20 0 BBADRM COC(=O)NCC(=O)NCC(C)(C)NC(=O)[O-] ZINC000828713165 587458057 /nfs/dbraw/zinc/45/80/57/587458057.db2.gz FEFBUACOFDRIPQ-UHFFFAOYSA-N -1 0 247.251 -0.495 20 0 BBADRM COC(=O)NCC(=O)OC[C@@H](C)NC(=O)[O-] ZINC000828713470 587458218 /nfs/dbraw/zinc/45/82/18/587458218.db2.gz HMVMLBQLRJSHNF-RXMQYKEDSA-N -1 0 234.208 -0.458 20 0 BBADRM COC(=O)NCC(=O)OC[C@H](C)NC(=O)[O-] ZINC000828713473 587458281 /nfs/dbraw/zinc/45/82/81/587458281.db2.gz HMVMLBQLRJSHNF-YFKPBYRVSA-N -1 0 234.208 -0.458 20 0 BBADRM COC(=O)NCCOC(=O)C1(NC(=O)[O-])CC1 ZINC000828713826 587458053 /nfs/dbraw/zinc/45/80/53/587458053.db2.gz LMLNVFDSOLRVDK-UHFFFAOYSA-N -1 0 246.219 -0.314 20 0 BBADRM COC(=O)N1CCN(CCNC(=O)[O-])CC1 ZINC000828713847 587458314 /nfs/dbraw/zinc/45/83/14/587458314.db2.gz LRJLQYJBTOUFFO-UHFFFAOYSA-N -1 0 231.252 -0.362 20 0 BBADRM COC(=O)NCCC(=O)OC[C@H](C)NC(=O)[O-] ZINC000828713959 587458326 /nfs/dbraw/zinc/45/83/26/587458326.db2.gz MSFFLZVRBXDSNM-LURJTMIESA-N -1 0 248.235 -0.068 20 0 BBADRM COC(=O)NCCC(=O)OC[C@@H](C)NC(=O)[O-] ZINC000828713960 587458227 /nfs/dbraw/zinc/45/82/27/587458227.db2.gz MSFFLZVRBXDSNM-ZCFIWIBFSA-N -1 0 248.235 -0.068 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)CCCNC(=O)[O-] ZINC000828722569 587458627 /nfs/dbraw/zinc/45/86/27/587458627.db2.gz APHVVPMCTFJIOG-ZCFIWIBFSA-N -1 0 232.236 -0.288 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)C(C)(C)NC(=O)[O-] ZINC000828722603 587458570 /nfs/dbraw/zinc/45/85/70/587458570.db2.gz BAAPPXVJDQOZJF-RXMQYKEDSA-N -1 0 232.236 -0.290 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000828722874 587458583 /nfs/dbraw/zinc/45/85/83/587458583.db2.gz DHMHQXZSGGTTRC-RNFRBKRXSA-N -1 0 246.263 -0.044 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000828722897 587458586 /nfs/dbraw/zinc/45/85/86/587458586.db2.gz DHMHQXZSGGTTRC-RQJHMYQMSA-N -1 0 246.263 -0.044 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)CCNC(=O)[O-] ZINC000828723155 587458673 /nfs/dbraw/zinc/45/86/73/587458673.db2.gz JFSZZFXLKHKHOS-RXMQYKEDSA-N -1 0 218.209 -0.678 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828723329 587458562 /nfs/dbraw/zinc/45/85/62/587458562.db2.gz LPXYHFQZGFBTTN-RNFRBKRXSA-N -1 0 244.247 -0.336 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828723330 587458734 /nfs/dbraw/zinc/45/87/34/587458734.db2.gz LPXYHFQZGFBTTN-RQJHMYQMSA-N -1 0 244.247 -0.336 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000828723363 587458578 /nfs/dbraw/zinc/45/85/78/587458578.db2.gz NCNQGGCDDZYAGQ-RNFRBKRXSA-N -1 0 244.247 -0.194 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000828723364 587458681 /nfs/dbraw/zinc/45/86/81/587458681.db2.gz NCNQGGCDDZYAGQ-RQJHMYQMSA-N -1 0 244.247 -0.194 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828723394 587458590 /nfs/dbraw/zinc/45/85/90/587458590.db2.gz NQABYUJHEIPJHP-NKWVEPMBSA-N -1 0 246.263 -0.090 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828723397 587458489 /nfs/dbraw/zinc/45/84/89/587458489.db2.gz NQABYUJHEIPJHP-RNFRBKRXSA-N -1 0 246.263 -0.090 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)CC1CN(C(=O)[O-])C1 ZINC000828723470 587458600 /nfs/dbraw/zinc/45/86/00/587458600.db2.gz POZXQIPVEMTACO-ZCFIWIBFSA-N -1 0 244.247 -0.336 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)C1(NC(=O)[O-])CC1 ZINC000828723515 587458440 /nfs/dbraw/zinc/45/84/40/587458440.db2.gz QZMBZVZYJNVZPM-RXMQYKEDSA-N -1 0 230.220 -0.536 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[O-] ZINC000828723645 587458535 /nfs/dbraw/zinc/45/85/35/587458535.db2.gz VPTFIFIGKGZZBM-CRCLSJGQSA-N -1 0 218.209 -0.680 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[O-] ZINC000828723646 587458589 /nfs/dbraw/zinc/45/85/89/587458589.db2.gz VPTFIFIGKGZZBM-RFZPGFLSSA-N -1 0 218.209 -0.680 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)C(C)(C)CNC(=O)[O-] ZINC000828723698 587458539 /nfs/dbraw/zinc/45/85/39/587458539.db2.gz WZZADJDEGPGIOX-ZCFIWIBFSA-N -1 0 246.263 -0.042 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000828723719 587458499 /nfs/dbraw/zinc/45/84/99/587458499.db2.gz XXWAFBQXCQORLK-NTSWFWBYSA-N -1 0 232.236 -0.290 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000828723720 587458648 /nfs/dbraw/zinc/45/86/48/587458648.db2.gz XXWAFBQXCQORLK-PHDIDXHHSA-N -1 0 232.236 -0.290 20 0 BBADRM COC(=O)[C@@H](C)NC(=O)CN(C)C(=O)[O-] ZINC000828723740 587458777 /nfs/dbraw/zinc/45/87/77/587458777.db2.gz YUZPOQVABQGLTB-RXMQYKEDSA-N -1 0 218.209 -0.726 20 0 BBADRM COC(=O)[C@H](C)NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000828730777 587459012 /nfs/dbraw/zinc/45/90/12/587459012.db2.gz NQABYUJHEIPJHP-BQBZGAKWSA-N -1 0 246.263 -0.090 20 0 BBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000828730778 587458873 /nfs/dbraw/zinc/45/88/73/587458873.db2.gz NQABYUJHEIPJHP-RQJHMYQMSA-N -1 0 246.263 -0.090 20 0 BBADRM COC(=O)[C@H](C)NC(=O)CC1CN(C(=O)[O-])C1 ZINC000828731133 587458887 /nfs/dbraw/zinc/45/88/87/587458887.db2.gz POZXQIPVEMTACO-LURJTMIESA-N -1 0 244.247 -0.336 20 0 BBADRM COC(=O)[C@H](C)NC(=O)C1(NC(=O)[O-])CC1 ZINC000828731227 587459040 /nfs/dbraw/zinc/45/90/40/587459040.db2.gz QZMBZVZYJNVZPM-YFKPBYRVSA-N -1 0 230.220 -0.536 20 0 BBADRM COC(=O)[C@H]1CCCCN1C(=O)CNC(=O)[O-] ZINC000828731522 587458895 /nfs/dbraw/zinc/45/88/95/587458895.db2.gz VJTBJMUHPMKYMA-SSDOTTSWSA-N -1 0 244.247 -0.192 20 0 BBADRM COC(=O)[C@H](C)NC(=O)C(C)(C)CNC(=O)[O-] ZINC000828731550 587458897 /nfs/dbraw/zinc/45/88/97/587458897.db2.gz WZZADJDEGPGIOX-LURJTMIESA-N -1 0 246.263 -0.042 20 0 BBADRM COC(=O)[C@H](C)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000828731593 587458877 /nfs/dbraw/zinc/45/88/77/587458877.db2.gz XXWAFBQXCQORLK-RITPCOANSA-N -1 0 232.236 -0.290 20 0 BBADRM COC(=O)[C@H](C)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000828731594 587458991 /nfs/dbraw/zinc/45/89/91/587458991.db2.gz XXWAFBQXCQORLK-WDSKDSINSA-N -1 0 232.236 -0.290 20 0 BBADRM CC[C@H](C)[C@@H](O)CNC(=O)CNC(=O)[O-] ZINC000828738669 587459349 /nfs/dbraw/zinc/45/93/49/587459349.db2.gz OBKUXNZMPDVBRP-BQBZGAKWSA-N -1 0 218.253 -0.223 20 0 BBADRM CC[C@H](C)[C@H](O)CNC(=O)CNC(=O)[O-] ZINC000828738674 587459580 /nfs/dbraw/zinc/45/95/80/587459580.db2.gz OBKUXNZMPDVBRP-NKWVEPMBSA-N -1 0 218.253 -0.223 20 0 BBADRM CC[C@@H](C)[C@H](O)CNC(=O)CNC(=O)[O-] ZINC000828738676 587459574 /nfs/dbraw/zinc/45/95/74/587459574.db2.gz OBKUXNZMPDVBRP-RNFRBKRXSA-N -1 0 218.253 -0.223 20 0 BBADRM CC[C@@H](C)[C@@H](O)CNC(=O)CNC(=O)[O-] ZINC000828738678 587459210 /nfs/dbraw/zinc/45/92/10/587459210.db2.gz OBKUXNZMPDVBRP-RQJHMYQMSA-N -1 0 218.253 -0.223 20 0 BBADRM CCn1[n-]nnc1=NC(=O)N(C)CCCCO ZINC000828747976 592706529 /nfs/dbraw/zinc/70/65/29/592706529.db2.gz VSEHWSXTCXCBGG-UHFFFAOYSA-N -1 0 242.283 -0.649 20 0 BBADRM O=C([O-])CNS(=O)(=O)C[C@@H]1CCCOC1 ZINC000828757389 587460767 /nfs/dbraw/zinc/46/07/67/587460767.db2.gz YCYMGIVOSUHARX-SSDOTTSWSA-N -1 0 237.277 -0.583 20 0 BBADRM O=C([O-])CNS(=O)(=O)C[C@H]1CCCOC1 ZINC000828757391 587460504 /nfs/dbraw/zinc/46/05/04/587460504.db2.gz YCYMGIVOSUHARX-ZETCQYMHSA-N -1 0 237.277 -0.583 20 0 BBADRM C[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)CCN1C ZINC000828775369 587461730 /nfs/dbraw/zinc/46/17/30/587461730.db2.gz UEBPLDLSIDOJHN-MRVPVSSYSA-N -1 0 238.291 -0.098 20 0 BBADRM C[C@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)CCN1C ZINC000828775370 584904385 /nfs/dbraw/zinc/90/43/85/584904385.db2.gz UEBPLDLSIDOJHN-QMMMGPOBSA-N -1 0 238.291 -0.098 20 0 BBADRM COC(C)(C)CNC(=O)COCCNC(=O)[O-] ZINC000828817484 587463696 /nfs/dbraw/zinc/46/36/96/587463696.db2.gz LZZBYRCYRJVEQO-UHFFFAOYSA-N -1 0 248.279 -0.188 20 0 BBADRM COC(C)(C)CNC(=O)CNC(=O)[O-] ZINC000828818548 587463899 /nfs/dbraw/zinc/46/38/99/587463899.db2.gz XFMJWNXETNRERX-UHFFFAOYSA-N -1 0 204.226 -0.205 20 0 BBADRM COC(C)(C)CNC(=O)NCCNC(=O)[O-] ZINC000828823811 587462915 /nfs/dbraw/zinc/46/29/15/587462915.db2.gz IXRQXVDVMZXWRY-UHFFFAOYSA-N -1 0 233.268 -0.022 20 0 BBADRM CO[C@H](C)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000828824334 587464870 /nfs/dbraw/zinc/46/48/70/587464870.db2.gz QKKYBMMTZYMMCV-HTRCEHHLSA-N -1 0 245.231 -0.114 20 0 BBADRM CO[C@@H](C)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000828824336 587464690 /nfs/dbraw/zinc/46/46/90/587464690.db2.gz QKKYBMMTZYMMCV-POYBYMJQSA-N -1 0 245.231 -0.114 20 0 BBADRM CO[C@H](C)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000828824338 587464713 /nfs/dbraw/zinc/46/47/13/587464713.db2.gz QKKYBMMTZYMMCV-SVRRBLITSA-N -1 0 245.231 -0.114 20 0 BBADRM CO[C@@H](C)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000828824340 587464666 /nfs/dbraw/zinc/46/46/66/587464666.db2.gz QKKYBMMTZYMMCV-XPUUQOCRSA-N -1 0 245.231 -0.114 20 0 BBADRM CCC(CC)(NC(=O)CC(N)=O)C(=O)[O-] ZINC000828824815 587464575 /nfs/dbraw/zinc/46/45/75/587464575.db2.gz VJQAFNQLZBZXFG-UHFFFAOYSA-N -1 0 216.237 -0.379 20 0 BBADRM CO[C@H](C)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828830627 587465060 /nfs/dbraw/zinc/46/50/60/587465060.db2.gz MOVJVLIXUWNRNK-HTQZYQBOSA-N -1 0 247.247 -0.057 20 0 BBADRM CO[C@@H](C)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828830628 587465174 /nfs/dbraw/zinc/46/51/74/587465174.db2.gz MOVJVLIXUWNRNK-JGVFFNPUSA-N -1 0 247.247 -0.057 20 0 BBADRM CO[C@H](C)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828830629 587465197 /nfs/dbraw/zinc/46/51/97/587465197.db2.gz MOVJVLIXUWNRNK-SFYZADRCSA-N -1 0 247.247 -0.057 20 0 BBADRM CO[C@@H](C)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828830630 587465248 /nfs/dbraw/zinc/46/52/48/587465248.db2.gz MOVJVLIXUWNRNK-YUMQZZPRSA-N -1 0 247.247 -0.057 20 0 BBADRM COC1CN(C(=O)C2(NC(=O)[O-])CC2)C1 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CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CC(=O)[O-] ZINC000830978418 587579687 /nfs/dbraw/zinc/57/96/87/587579687.db2.gz AIYBATMCEJEKBX-SFYZADRCSA-N -1 0 242.275 -0.166 20 0 BBADRM CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)CC(=O)[O-] ZINC000830978419 587579696 /nfs/dbraw/zinc/57/96/96/587579696.db2.gz AIYBATMCEJEKBX-YUMQZZPRSA-N -1 0 242.275 -0.166 20 0 BBADRM CNC(=O)CCN(C)C(=O)[C@H](C)CC(=O)[O-] ZINC000830984847 587579614 /nfs/dbraw/zinc/57/96/14/587579614.db2.gz YMQBOAOFEDFPIM-SSDOTTSWSA-N -1 0 230.264 -0.308 20 0 BBADRM CNC(=O)CCN(C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000830984850 587579437 /nfs/dbraw/zinc/57/94/37/587579437.db2.gz YMQBOAOFEDFPIM-ZETCQYMHSA-N -1 0 230.264 -0.308 20 0 BBADRM CNC(=O)CCCNC(=O)[C@H](C)CC(=O)[O-] ZINC000830984908 587580215 /nfs/dbraw/zinc/58/02/15/587580215.db2.gz ZXAWIHMXPPLPFF-SSDOTTSWSA-N -1 0 230.264 -0.260 20 0 BBADRM CNC(=O)CCCNC(=O)[C@@H](C)CC(=O)[O-] ZINC000830984909 587579874 /nfs/dbraw/zinc/57/98/74/587579874.db2.gz ZXAWIHMXPPLPFF-ZETCQYMHSA-N -1 0 230.264 -0.260 20 0 BBADRM CNC(=O)CN(CC(=O)[O-])C1CCOCC1 ZINC000830986948 587580159 /nfs/dbraw/zinc/58/01/59/587580159.db2.gz BLPITXPZORPCQH-UHFFFAOYSA-N -1 0 230.264 -0.702 20 0 BBADRM CNC(=O)CCOC(=O)CCSCC(=O)[O-] ZINC000830987294 587580226 /nfs/dbraw/zinc/58/02/26/587580226.db2.gz HUWWODSFWXYJRP-UHFFFAOYSA-N -1 0 249.288 -0.126 20 0 BBADRM CNC(=O)CCOC(=O)[C@@H](C)CC(=O)[O-] ZINC000830987592 587580233 /nfs/dbraw/zinc/58/02/33/587580233.db2.gz LCPXCAICAPXFPD-LURJTMIESA-N -1 0 217.221 -0.224 20 0 BBADRM CNC(=O)CCOC(=O)[C@H](C)CC(=O)[O-] ZINC000830987594 587580029 /nfs/dbraw/zinc/58/00/29/587580029.db2.gz LCPXCAICAPXFPD-ZCFIWIBFSA-N -1 0 217.221 -0.224 20 0 BBADRM CNC(=O)CCOC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000830988052 587580156 /nfs/dbraw/zinc/58/01/56/587580156.db2.gz QXVUKHKAEWWTPQ-NTSWFWBYSA-N -1 0 215.205 -0.614 20 0 BBADRM CNC(=O)CCOC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000830988056 587579981 /nfs/dbraw/zinc/57/99/81/587579981.db2.gz QXVUKHKAEWWTPQ-PHDIDXHHSA-N -1 0 215.205 -0.614 20 0 BBADRM CNC(=O)CCOC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000830988058 587579880 /nfs/dbraw/zinc/57/98/80/587579880.db2.gz QXVUKHKAEWWTPQ-RITPCOANSA-N -1 0 215.205 -0.614 20 0 BBADRM CNC(=O)CCOC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000830988060 587579797 /nfs/dbraw/zinc/57/97/97/587579797.db2.gz QXVUKHKAEWWTPQ-WDSKDSINSA-N -1 0 215.205 -0.614 20 0 BBADRM CNC(=O)CN(C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000830988132 587580245 /nfs/dbraw/zinc/58/02/45/587580245.db2.gz UTMIWOLZOMMJPS-LURJTMIESA-N -1 0 216.237 -0.698 20 0 BBADRM CNC(=O)CN(C)C(=O)[C@H](C)CC(=O)[O-] ZINC000830988134 587580264 /nfs/dbraw/zinc/58/02/64/587580264.db2.gz UTMIWOLZOMMJPS-ZCFIWIBFSA-N -1 0 216.237 -0.698 20 0 BBADRM CNC(=O)CN(C)[C@H](COC(C)C)C(=O)[O-] ZINC000830988349 587580180 /nfs/dbraw/zinc/58/01/80/587580180.db2.gz YSNJZOYCWSHGAG-MRVPVSSYSA-N -1 0 232.280 -0.458 20 0 BBADRM CNC(=O)CN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC000830988353 587580242 /nfs/dbraw/zinc/58/02/42/587580242.db2.gz YSNJZOYCWSHGAG-QMMMGPOBSA-N -1 0 232.280 -0.458 20 0 BBADRM 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219.237 -0.779 20 0 BBADRM COC[C@](C)(O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000831631192 587625040 /nfs/dbraw/zinc/62/50/40/587625040.db2.gz AVCQXSJONXNBNC-MUWHJKNJSA-N -1 0 219.237 -0.779 20 0 BBADRM COC[C@](C)(O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000831631193 587625276 /nfs/dbraw/zinc/62/52/76/587625276.db2.gz AVCQXSJONXNBNC-RCOVLWMOSA-N -1 0 219.237 -0.779 20 0 BBADRM COC[C@](C)(O)C(=O)N(C)CCCC(=O)[O-] ZINC000831631378 587625206 /nfs/dbraw/zinc/62/52/06/587625206.db2.gz FTUFJLRPZJDDAA-JTQLQIEISA-N -1 0 233.264 -0.293 20 0 BBADRM COC[C@@](C)(O)C(=O)N(C)CCCC(=O)[O-] ZINC000831631381 587625041 /nfs/dbraw/zinc/62/50/41/587625041.db2.gz FTUFJLRPZJDDAA-SNVBAGLBSA-N -1 0 233.264 -0.293 20 0 BBADRM COC[C@](C)(O)C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000831631397 584910317 /nfs/dbraw/zinc/91/03/17/584910317.db2.gz GKCDRJQLABEBTH-FYBVGQRMSA-N -1 0 245.275 -0.437 20 0 BBADRM COC[C@](C)(O)C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000831631399 584910270 /nfs/dbraw/zinc/91/02/70/584910270.db2.gz 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/nfs/dbraw/zinc/71/30/75/587713075.db2.gz QSHKVMPOXCDAFT-MRVPVSSYSA-N -1 0 201.222 -0.249 20 0 BBADRM CC(=O)CCN1CCOC[C@H]1C(=O)[O-] ZINC000833388468 587712972 /nfs/dbraw/zinc/71/29/72/587712972.db2.gz QSHKVMPOXCDAFT-QMMMGPOBSA-N -1 0 201.222 -0.249 20 0 BBADRM CC(=O)C[C@@H](C)NC(=O)CNC(=O)[O-] ZINC000833388471 587713198 /nfs/dbraw/zinc/71/31/98/587713198.db2.gz WCXLBDVPDDOLOX-RXMQYKEDSA-N -1 0 202.210 -0.262 20 0 BBADRM CC(=O)C[C@H](C)NC(=O)CNC(=O)[O-] ZINC000833388472 587712829 /nfs/dbraw/zinc/71/28/29/587712829.db2.gz WCXLBDVPDDOLOX-YFKPBYRVSA-N -1 0 202.210 -0.262 20 0 BBADRM CC(=O)N1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000833390859 587713126 /nfs/dbraw/zinc/71/31/26/587713126.db2.gz KLQOOKXIROITOB-ZETCQYMHSA-N -1 0 243.263 -0.667 20 0 BBADRM CC(=O)NC[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-] ZINC000833395755 587713666 /nfs/dbraw/zinc/71/36/66/587713666.db2.gz ACXHAIBZWNBKQQ-RITPCOANSA-N -1 0 232.236 -0.290 20 0 BBADRM CC(=O)NC[C@H](C)OC(=O)[C@H](C)NC(=O)[O-] ZINC000833395756 587713699 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587713544 /nfs/dbraw/zinc/71/35/44/587713544.db2.gz HZPQOWFFDKVXTH-ARDNSNSESA-N -1 0 229.232 -0.225 20 0 BBADRM CC(=O)NC[C@H](C)OC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000833396368 587713598 /nfs/dbraw/zinc/71/35/98/587713598.db2.gz HZPQOWFFDKVXTH-GEVIPFJHSA-N -1 0 229.232 -0.225 20 0 BBADRM CC(=O)NC[C@H](C)OC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000833396369 587713447 /nfs/dbraw/zinc/71/34/47/587713447.db2.gz HZPQOWFFDKVXTH-UIISKDMLSA-N -1 0 229.232 -0.225 20 0 BBADRM CC(=O)NC[C@H](C)OC(=O)CN(C)C(=O)[O-] ZINC000833396803 587713769 /nfs/dbraw/zinc/71/37/69/587713769.db2.gz QKDATOASPOTBMU-LURJTMIESA-N -1 0 232.236 -0.336 20 0 BBADRM CC(=O)NC[C@@H](C)OC(=O)CN(C)C(=O)[O-] ZINC000833396804 587713479 /nfs/dbraw/zinc/71/34/79/587713479.db2.gz QKDATOASPOTBMU-ZCFIWIBFSA-N -1 0 232.236 -0.336 20 0 BBADRM CC(=O)NCCCN1CCOC[C@@H]1C(=O)[O-] ZINC000833397225 587713777 /nfs/dbraw/zinc/71/37/77/587713777.db2.gz IYTUTIHYDVKEEA-SECBINFHSA-N -1 0 230.264 -0.702 20 0 BBADRM CC(=O)NCCCN1CCOC[C@H]1C(=O)[O-] ZINC000833397226 587713649 /nfs/dbraw/zinc/71/36/49/587713649.db2.gz IYTUTIHYDVKEEA-VIFPVBQESA-N -1 0 230.264 -0.702 20 0 BBADRM CC(=O)NCCCOC(=O)[C@H](C)NC(=O)[O-] ZINC000833397314 587713469 /nfs/dbraw/zinc/71/34/69/587713469.db2.gz LUYGGIQCAMBRDN-LURJTMIESA-N -1 0 232.236 -0.288 20 0 BBADRM CC(=O)NCCCNC(=O)[C@H](C)NC(=O)[O-] ZINC000833397543 587713784 /nfs/dbraw/zinc/71/37/84/587713784.db2.gz RXKZRSRGTPMRNF-LURJTMIESA-N -1 0 231.252 -0.715 20 0 BBADRM C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])C1CCOCC1 ZINC000833404197 587713790 /nfs/dbraw/zinc/71/37/90/587713790.db2.gz IYNIPVYVQZALDI-APPZFPTMSA-N -1 0 245.275 -0.389 20 0 BBADRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1CCOCC1 ZINC000833404198 587713723 /nfs/dbraw/zinc/71/37/23/587713723.db2.gz IYNIPVYVQZALDI-CBAPKCEASA-N -1 0 245.275 -0.389 20 0 BBADRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])c1ccco1 ZINC000833405595 587713623 /nfs/dbraw/zinc/71/36/23/587713623.db2.gz WTIBPYJGGOAMTK-BQBZGAKWSA-N -1 0 227.216 -0.055 20 0 BBADRM C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])c1ccco1 ZINC000833405597 587712917 /nfs/dbraw/zinc/71/29/17/587712917.db2.gz WTIBPYJGGOAMTK-RQJHMYQMSA-N -1 0 227.216 -0.055 20 0 BBADRM C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])c1cccnc1 ZINC000833405958 587713628 /nfs/dbraw/zinc/71/36/28/587713628.db2.gz ZOORQMUCYGAOEY-APPZFPTMSA-N -1 0 238.243 -0.253 20 0 BBADRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])c1cccnc1 ZINC000833405959 587713674 /nfs/dbraw/zinc/71/36/74/587713674.db2.gz ZOORQMUCYGAOEY-CBAPKCEASA-N -1 0 238.243 -0.253 20 0 BBADRM C[C@@H](C(N)=O)N(C)C(=O)CCSCC(=O)[O-] ZINC000833406649 587713512 /nfs/dbraw/zinc/71/35/12/587713512.db2.gz CMADRQZCPDTVFW-LURJTMIESA-N -1 0 248.304 -0.474 20 0 BBADRM C[C@H](C(N)=O)N(C)C(=O)CCSCC(=O)[O-] ZINC000833406650 587713745 /nfs/dbraw/zinc/71/37/45/587713745.db2.gz CMADRQZCPDTVFW-ZCFIWIBFSA-N -1 0 248.304 -0.474 20 0 BBADRM C[C@H](C(N)=O)N(C)C(=O)C(C)(C)NC(=O)[O-] ZINC000833406942 587712977 /nfs/dbraw/zinc/71/29/77/587712977.db2.gz GBASPMPTUUHIBW-RXMQYKEDSA-N -1 0 231.252 -0.635 20 0 BBADRM C[C@@H](C(N)=O)N(C)C(=O)C(C)(C)NC(=O)[O-] ZINC000833406947 587713083 /nfs/dbraw/zinc/71/30/83/587713083.db2.gz GBASPMPTUUHIBW-YFKPBYRVSA-N -1 0 231.252 -0.635 20 0 BBADRM C[C@H](C(N)=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833406949 587713154 /nfs/dbraw/zinc/71/31/54/587713154.db2.gz GCJQDNLZZATSQM-HTRCEHHLSA-N -1 0 230.264 -0.982 20 0 BBADRM C[C@@H](C(N)=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833406957 587713236 /nfs/dbraw/zinc/71/32/36/587713236.db2.gz GCJQDNLZZATSQM-POYBYMJQSA-N -1 0 230.264 -0.982 20 0 BBADRM C[C@H](C(N)=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833406959 587713124 /nfs/dbraw/zinc/71/31/24/587713124.db2.gz GCJQDNLZZATSQM-SVRRBLITSA-N -1 0 230.264 -0.982 20 0 BBADRM C[C@@H](C(N)=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833406962 587713093 /nfs/dbraw/zinc/71/30/93/587713093.db2.gz GCJQDNLZZATSQM-XPUUQOCRSA-N -1 0 230.264 -0.982 20 0 BBADRM C[C@H](C(N)=O)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000833407781 587713673 /nfs/dbraw/zinc/71/36/73/587713673.db2.gz 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/nfs/dbraw/zinc/71/43/74/587714374.db2.gz SCZWFOXVZNEGMZ-JGVFFNPUSA-N -1 0 245.275 -0.295 20 0 BBADRM CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000833427471 587714298 /nfs/dbraw/zinc/71/42/98/587714298.db2.gz SCZWFOXVZNEGMZ-SFYZADRCSA-N -1 0 245.275 -0.295 20 0 BBADRM CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000833427472 587714617 /nfs/dbraw/zinc/71/46/17/587714617.db2.gz SCZWFOXVZNEGMZ-YUMQZZPRSA-N -1 0 245.275 -0.295 20 0 BBADRM CC(C)(C)[C@@H](O)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000833427506 587714260 /nfs/dbraw/zinc/71/42/60/587714260.db2.gz STLGAHQCSWDAPD-CPCISQLKSA-N -1 0 245.275 -0.247 20 0 BBADRM CC(C)(C)[C@H](O)C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000833427507 587714449 /nfs/dbraw/zinc/71/44/49/587714449.db2.gz STLGAHQCSWDAPD-HQJQHLMTSA-N -1 0 245.275 -0.247 20 0 BBADRM CC(C)(C)[C@H](O)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000833427508 587714271 /nfs/dbraw/zinc/71/42/71/587714271.db2.gz STLGAHQCSWDAPD-RDDDGLTNSA-N -1 0 245.275 -0.247 20 0 BBADRM CC(C)(C)[C@@H](O)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000833427509 605069373 /nfs/dbraw/zinc/06/93/73/605069373.db2.gz STLGAHQCSWDAPD-WRWORJQWSA-N -1 0 245.275 -0.247 20 0 BBADRM CC(C)(C)[C@H](O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833427825 587714444 /nfs/dbraw/zinc/71/44/44/587714444.db2.gz WXTBLFHUUOVWHL-SSDOTTSWSA-N -1 0 230.264 -0.128 20 0 BBADRM CC(C)(C)[C@@H](O)C(=O)NC1CN(C(=O)[O-])C1 ZINC000833427826 587714659 /nfs/dbraw/zinc/71/46/59/587714659.db2.gz WXTBLFHUUOVWHL-ZETCQYMHSA-N -1 0 230.264 -0.128 20 0 BBADRM CC(C)(C)NC(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC000833431940 587714760 /nfs/dbraw/zinc/71/47/60/587714760.db2.gz ZDYYJUSLLPLMIA-LLVKDONJSA-N -1 0 244.291 -0.266 20 0 BBADRM CC(C)(C)NC(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC000833431942 587715013 /nfs/dbraw/zinc/71/50/13/587715013.db2.gz ZDYYJUSLLPLMIA-NSHDSACASA-N -1 0 244.291 -0.266 20 0 BBADRM CC(C)(C)OCC(=O)OCC(=O)NCC(=O)[O-] ZINC000833445705 587715078 /nfs/dbraw/zinc/71/50/78/587715078.db2.gz NCPYEXULMRHYQH-UHFFFAOYSA-N -1 0 247.247 -0.455 20 0 BBADRM CC(C)(CC(=O)[O-])CC(=O)NC1=NCC(=O)N1 ZINC000833452889 587715587 /nfs/dbraw/zinc/71/55/87/587715587.db2.gz XYLGEPNCBNGWJL-UHFFFAOYSA-N -1 0 241.247 -0.521 20 0 BBADRM CC(C)(CC(=O)[O-])CC(=O)OCC(N)=O ZINC000833455420 587715626 /nfs/dbraw/zinc/71/56/26/587715626.db2.gz QETVWDFQKWXGNJ-UHFFFAOYSA-N -1 0 217.221 -0.094 20 0 BBADRM CC(C)(CC(=O)[O-])NC(=O)C1(NC(N)=O)CC1 ZINC000833455895 587715403 /nfs/dbraw/zinc/71/54/03/587715403.db2.gz DOKHLQMMXYTWEU-UHFFFAOYSA-N -1 0 243.263 -0.443 20 0 BBADRM CC(C)(CC(=O)[O-])[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC000833456514 587715255 /nfs/dbraw/zinc/71/52/55/587715255.db2.gz YTNVYGGTMMNQKN-UHFFFAOYSA-N -1 0 214.225 -0.147 20 0 BBADRM CC(C)(CC(=O)[O-])CC(=O)NN1CN=NC1=O ZINC000833456770 587715284 /nfs/dbraw/zinc/71/52/84/587715284.db2.gz ZQMHAFWWWXGUKZ-UHFFFAOYSA-N -1 0 242.235 -0.055 20 0 BBADRM CC(C)(CCO)NC(=O)CCNC(=O)[O-] ZINC000833457132 587715372 /nfs/dbraw/zinc/71/53/72/587715372.db2.gz RCCANBDABMLFOI-UHFFFAOYSA-N -1 0 218.253 -0.079 20 0 BBADRM 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