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C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000433446410 269896728 /nfs/dbraw/zinc/89/67/28/269896728.db2.gz GKQSIKYQEFBZMQ-QMTHXVAHSA-N -1 3 328.365 0.657 20 30 ECEDHM CCN(CCO)CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000184343460 263158665 /nfs/dbraw/zinc/15/86/65/263158665.db2.gz ORCLGCOJKJXBLC-UHFFFAOYSA-N -1 3 331.825 0.804 20 30 ECEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCN1CCCS1(=O)=O ZINC000269662180 263195586 /nfs/dbraw/zinc/19/55/86/263195586.db2.gz LZVKMGIPECTVSV-UHFFFAOYSA-N -1 3 347.393 0.011 20 30 ECEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)NCCF ZINC000282447845 264044571 /nfs/dbraw/zinc/04/45/71/264044571.db2.gz VHSKSXMTFKXXEY-MRVPVSSYSA-N -1 3 333.772 0.964 20 30 ECEDHM COCC[C@@H](COC)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000352552685 266705690 /nfs/dbraw/zinc/70/56/90/266705690.db2.gz XSNHJJGWNNRATJ-JTQLQIEISA-N -1 3 343.361 0.796 20 30 ECEDHM C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329939672 266996155 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N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289458594 268177279 /nfs/dbraw/zinc/17/72/79/268177279.db2.gz PWXXBDNNNYQEOZ-KBPBESRZSA-N -1 3 343.387 0.589 20 30 ECEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)N2CCOCC2)c(Cl)c1 ZINC000318002413 268198383 /nfs/dbraw/zinc/19/83/83/268198383.db2.gz OXLXXYBMHTXBRG-UHFFFAOYSA-N -1 3 343.792 0.349 20 30 ECEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)N2CCCCC2)c(F)c1 ZINC000523571831 268254591 /nfs/dbraw/zinc/25/45/91/268254591.db2.gz CYLGXGWEXZVDJB-UHFFFAOYSA-N -1 3 325.365 0.988 20 30 ECEDHM Cc1ccc(S(=O)(=O)NCCC(=O)N=C2[N-]C(=O)CN2)cc1C ZINC000050222329 436475214 /nfs/dbraw/zinc/47/52/14/436475214.db2.gz BNGSVFNLQIMVAV-UHFFFAOYSA-N -1 3 338.389 0.414 20 30 ECEDHM C#CCCN1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000104866365 436566353 /nfs/dbraw/zinc/56/63/53/436566353.db2.gz HYCJIARESNDDGE-UHFFFAOYSA-N -1 3 341.415 0.349 20 30 ECEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C(=O)N1CCCC1 ZINC000062883983 436641311 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336.377 0.557 20 30 ECEDHM N#C[C@H]1COCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000283343948 437027636 /nfs/dbraw/zinc/02/76/36/437027636.db2.gz HYUURPUHMYFOAS-LBPRGKRZSA-N -1 3 344.302 0.238 20 30 ECEDHM N#C[C@H]1COCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000283343948 437027641 /nfs/dbraw/zinc/02/76/41/437027641.db2.gz HYUURPUHMYFOAS-LBPRGKRZSA-N -1 3 344.302 0.238 20 30 ECEDHM C#C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)C ZINC000282013499 437010316 /nfs/dbraw/zinc/01/03/16/437010316.db2.gz KTWJEEJHIRNUKY-VIFPVBQESA-N -1 3 328.166 0.485 20 30 ECEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000276027129 437045680 /nfs/dbraw/zinc/04/56/80/437045680.db2.gz LLOHHJQNAMPQAE-UHFFFAOYSA-N -1 3 332.403 0.424 20 30 ECEDHM C[C@@]1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCS(=O)(=O)C1 ZINC000176770581 437157384 /nfs/dbraw/zinc/15/73/84/437157384.db2.gz OUTCDJZGAFERHF-GFCCVEGCSA-N -1 3 332.378 0.553 20 30 ECEDHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1 ZINC000265445803 437132499 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C=CCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@@H]1CCS(=O)(=O)C1 ZINC000277322434 437210408 /nfs/dbraw/zinc/21/04/08/437210408.db2.gz FWSYJWVGXNDRBA-SNVBAGLBSA-N -1 3 338.364 0.912 20 30 ECEDHM CC(C)(C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1cc(F)cc(C#N)c1 ZINC000332657222 437240561 /nfs/dbraw/zinc/24/05/61/437240561.db2.gz OSKYOLXKOMVBAP-CYBMUJFWSA-N -1 3 344.346 0.738 20 30 ECEDHM C=CC[C@H](CO)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000337050555 437323908 /nfs/dbraw/zinc/32/39/08/437323908.db2.gz JIGHGIVPHGWOQL-SNVBAGLBSA-N -1 3 348.371 0.686 20 30 ECEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(=O)N(C2CC2)C1 ZINC000279548426 437422690 /nfs/dbraw/zinc/42/26/90/437422690.db2.gz IZOVWKFHSMJPBI-UHFFFAOYSA-N -1 3 328.372 0.999 20 30 ECEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000290188113 437469519 /nfs/dbraw/zinc/46/95/19/437469519.db2.gz LRHQIFSYLJPGPS-VIFPVBQESA-N -1 3 334.781 0.029 20 30 ECEDHM C#CCC(C)(C)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000186413063 437473181 /nfs/dbraw/zinc/47/31/81/437473181.db2.gz PVBSMGYEFXBCMI-UHFFFAOYSA-N -1 3 342.355 0.321 20 30 ECEDHM C#CCC(C)(C)C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000186413063 437473185 /nfs/dbraw/zinc/47/31/85/437473185.db2.gz PVBSMGYEFXBCMI-UHFFFAOYSA-N -1 3 342.355 0.321 20 30 ECEDHM C#CCSCCNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269217465 437468928 /nfs/dbraw/zinc/46/89/28/437468928.db2.gz CGFKSDAYWXYFTK-MRXNPFEDSA-N -1 3 331.397 0.837 20 30 ECEDHM C=C[C@](C)(O)CC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000354139738 437540226 /nfs/dbraw/zinc/54/02/26/437540226.db2.gz SIBCSBIEFHFPQN-DLBZAZTESA-N -1 3 331.372 0.685 20 30 ECEDHM C#C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C(C)(C)C ZINC000290928658 437543795 /nfs/dbraw/zinc/54/37/95/437543795.db2.gz ORCOCDYPDNTCSW-LLVKDONJSA-N -1 3 327.406 0.734 20 30 ECEDHM Cc1cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)nn1CCC#N ZINC000360168703 437544060 /nfs/dbraw/zinc/54/40/60/437544060.db2.gz OCSOOGWQWMPRME-UHFFFAOYSA-N -1 3 342.285 1.564 20 30 ECEDHM 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0.638 20 30 ECEDHM C=CC[C@H](CO)CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823888358 587747706 /nfs/dbraw/zinc/74/77/06/587747706.db2.gz KDQZQHAPSGIZIG-NSHDSACASA-N -1 3 337.405 0.638 20 30 ECEDHM C#CCN(C)C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000824009022 587848253 /nfs/dbraw/zinc/84/82/53/587848253.db2.gz ZNYCMEXSWRMZBH-UHFFFAOYSA-N -1 3 349.391 0.982 20 30 ECEDHM C[C@@H](C#N)CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000824035279 587849843 /nfs/dbraw/zinc/84/98/43/587849843.db2.gz VTJOPNDAFQXZOP-NSHDSACASA-N -1 3 341.379 0.253 20 30 ECEDHM C[C@@H](C#N)CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000824035279 587849845 /nfs/dbraw/zinc/84/98/45/587849845.db2.gz VTJOPNDAFQXZOP-NSHDSACASA-N -1 3 341.379 0.253 20 30 ECEDHM CCn1cc(C#N)c(=O)n(Cc2cccc(-c3nnn[n-]3)c2F)c1=O ZINC000825799945 587961854 /nfs/dbraw/zinc/96/18/54/587961854.db2.gz XDOJKFBVJAGTFG-UHFFFAOYSA-N -1 3 341.306 0.269 20 30 ECEDHM CCn1cc(C#N)c(=O)n(Cc2cccc(-c3nn[n-]n3)c2F)c1=O ZINC000825799945 587961855 /nfs/dbraw/zinc/96/18/55/587961855.db2.gz XDOJKFBVJAGTFG-UHFFFAOYSA-N -1 3 341.306 0.269 20 30 ECEDHM N#C[C@H]1CSCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826381069 588036707 /nfs/dbraw/zinc/03/67/07/588036707.db2.gz WOUXRFHVMVTSBX-NWDGAFQWSA-N -1 3 330.373 0.368 20 30 ECEDHM N#C[C@H]1CSCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826381069 588036709 /nfs/dbraw/zinc/03/67/09/588036709.db2.gz WOUXRFHVMVTSBX-NWDGAFQWSA-N -1 3 330.373 0.368 20 30 ECEDHM N#Cc1ncn(CCOc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826388107 588037491 /nfs/dbraw/zinc/03/74/91/588037491.db2.gz IQXUOBVTLWQIKI-UHFFFAOYSA-N -1 3 326.276 0.922 20 30 ECEDHM N#Cc1ccc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)[nH]1 ZINC000826384169 588037685 /nfs/dbraw/zinc/03/76/85/588037685.db2.gz JQUYVSOMWAEUNH-UHFFFAOYSA-N -1 3 349.358 0.424 20 30 ECEDHM N#Cc1ccc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[nH]1 ZINC000826384169 588037687 /nfs/dbraw/zinc/03/76/87/588037687.db2.gz JQUYVSOMWAEUNH-UHFFFAOYSA-N -1 3 349.358 0.424 20 30 ECEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000828394752 588176467 /nfs/dbraw/zinc/17/64/67/588176467.db2.gz ACRPJIRWWLBLIC-QMMMGPOBSA-N -1 3 329.765 0.929 20 30 ECEDHM C#CCN1CCC[C@H]1C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830820714 588387928 /nfs/dbraw/zinc/38/79/28/588387928.db2.gz GXVITPKCFVKOTE-FZMZJTMJSA-N -1 3 331.338 0.754 20 30 ECEDHM N#CC(C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)NC1CCCC1 ZINC000831065248 588402401 /nfs/dbraw/zinc/40/24/01/588402401.db2.gz PVQHZFARFBCQJX-QWHCGFSZSA-N -1 3 337.376 0.913 20 30 ECEDHM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)N(C)c1ccc(C#N)nc1 ZINC000844835616 589123167 /nfs/dbraw/zinc/12/31/67/589123167.db2.gz WLABYKBYYGHWRX-UHFFFAOYSA-N -1 3 349.372 0.987 20 30 ECEDHM N#Cc1ccc(COC(=O)[C@@H]2CCS(=O)(=O)[N-]2)c([N+](=O)[O-])c1 ZINC000845376689 589147426 /nfs/dbraw/zinc/14/74/26/589147426.db2.gz SYJUNUHHILEZKX-JTQLQIEISA-N -1 3 325.302 0.201 20 30 ECEDHM CC(C)(C)OC(=O)c1cnc(C(=O)N[C@H]2CCCN([O-])C2=O)cn1 ZINC000848131634 589279057 /nfs/dbraw/zinc/27/90/57/589279057.db2.gz BDPLCUOXUNZKPB-VIFPVBQESA-N -1 3 336.348 0.542 20 30 ECEDHM COc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1N1CCNC1=O ZINC000848136905 589279265 /nfs/dbraw/zinc/27/92/65/589279265.db2.gz UEBJWWWBNDDBPT-NSHDSACASA-N -1 3 348.359 0.335 20 30 ECEDHM CCC[C@H](CCCS(C)(=O)=O)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848133979 589279306 /nfs/dbraw/zinc/27/93/06/589279306.db2.gz LEPSGCUHQUNYHV-NEPJUHHUSA-N -1 3 334.438 0.724 20 30 ECEDHM O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CCCN([O-])C1=O ZINC000848136451 589279453 /nfs/dbraw/zinc/27/94/53/589279453.db2.gz NAFSEPRVWCRODC-CYBMUJFWSA-N -1 3 325.409 0.518 20 30 ECEDHM O=C(Cc1cccc(N2CCCC2=O)c1)N[C@H]1CCCN([O-])C1=O ZINC000848134152 589279631 /nfs/dbraw/zinc/27/96/31/589279631.db2.gz OLYBKTMYKHRRDG-AWEZNQCLSA-N -1 3 331.372 0.852 20 30 ECEDHM Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCCN([O-])C3=O)n2)cc1 ZINC000848138129 589280132 /nfs/dbraw/zinc/28/01/32/589280132.db2.gz MXPGAFVYOGWDEG-LBPRGKRZSA-N -1 3 330.348 0.145 20 30 ECEDHM CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000848138594 589280235 /nfs/dbraw/zinc/28/02/35/589280235.db2.gz ODMKJOCTYHKNKE-GFCCVEGCSA-N -1 3 341.389 0.097 20 30 ECEDHM O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCCN([O-])C1=O ZINC000848139109 589280269 /nfs/dbraw/zinc/28/02/69/589280269.db2.gz XRJLVZNTQURQIO-GFCCVEGCSA-N -1 3 330.344 0.764 20 30 ECEDHM C[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000848139269 589280300 /nfs/dbraw/zinc/28/03/00/589280300.db2.gz YXVPFFMDRHPSEE-DDHJBXDOSA-N -1 3 337.376 0.047 20 30 ECEDHM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H]1CCCN([O-])C1=O)C2=O ZINC000848139004 589280513 /nfs/dbraw/zinc/28/05/13/589280513.db2.gz WIIIJIFYBQIYII-ZWNOBZJWSA-N -1 3 345.355 0.476 20 30 ECEDHM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(C)c1 ZINC000848965165 589317820 /nfs/dbraw/zinc/31/78/20/589317820.db2.gz KBSUKHXZZUQIQE-LBPRGKRZSA-N -1 3 345.446 0.463 20 30 ECEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000851829037 589427376 /nfs/dbraw/zinc/42/73/76/589427376.db2.gz VMKOJWIMJFRYFL-LBPRGKRZSA-N -1 3 325.346 0.697 20 30 ECEDHM C#CC[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000854546964 589592222 /nfs/dbraw/zinc/59/22/22/589592222.db2.gz ORTHMAMSVNZBHK-LBPRGKRZSA-N -1 3 340.376 0.380 20 30 ECEDHM C#C[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000854764938 589604634 /nfs/dbraw/zinc/60/46/34/589604634.db2.gz DDKQLMINHSSZCJ-JTQLQIEISA-N -1 3 342.355 0.118 20 30 ECEDHM C#C[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000854765931 589604662 /nfs/dbraw/zinc/60/46/62/589604662.db2.gz SGXWTXDHWOLFJN-NSHDSACASA-N -1 3 328.365 0.236 20 30 ECEDHM CC[C@@H](O)CNC(=O)CCC/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000855741530 589643643 /nfs/dbraw/zinc/64/36/43/589643643.db2.gz AFTZULPWGGTBRR-LLVKDONJSA-N -1 3 339.417 0.392 20 30 ECEDHM C=CCCO[N-]C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000856033046 589651757 /nfs/dbraw/zinc/65/17/57/589651757.db2.gz XBAMTOYHUZCEDW-UHFFFAOYSA-N -1 3 347.375 0.615 20 30 ECEDHM C=C[C@H](CO)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000856275143 589658869 /nfs/dbraw/zinc/65/88/69/589658869.db2.gz RSJRDKAAGKNLLS-MRVPVSSYSA-N -1 3 346.355 0.682 20 30 ECEDHM C=C[C@H](CO)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000856275199 589658911 /nfs/dbraw/zinc/65/89/11/589658911.db2.gz WXVNQAJYYOYWGO-NXEZZACHSA-N -1 3 347.824 0.455 20 30 ECEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ncc[nH]2)ccc1F ZINC000114339372 589666273 /nfs/dbraw/zinc/66/62/73/589666273.db2.gz SYZGEEXDZALEDS-UHFFFAOYSA-N -1 3 338.364 0.943 20 30 ECEDHM C#CC[C@H](CCOC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000863784375 590037999 /nfs/dbraw/zinc/03/79/99/590037999.db2.gz KDPKCWRDNFGUTL-LLVKDONJSA-N -1 3 340.401 0.922 20 30 ECEDHM C#CC[C@@H](COC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000863794224 590038488 /nfs/dbraw/zinc/03/84/88/590038488.db2.gz WLCJNKNVPVIHET-RYUDHWBXSA-N -1 3 342.392 0.647 20 30 ECEDHM C#CC[C@H](COC)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000863794283 590038566 /nfs/dbraw/zinc/03/85/66/590038566.db2.gz XPFVMLRXHOOVHP-LLVKDONJSA-N -1 3 330.431 0.571 20 30 ECEDHM CCOc1ccc(/C=N/C[C@]23COCCN2C(=O)COC3)c([O-])c1 ZINC000864348071 590075906 /nfs/dbraw/zinc/07/59/06/590075906.db2.gz DOWKZGMPEGDMJC-MGABJAEBSA-N -1 3 334.372 0.838 20 30 ECEDHM C=CC[N-]S(=O)(=O)c1ccc(CC(=O)OCC#CCOC)s1 ZINC000873494675 590191124 /nfs/dbraw/zinc/19/11/24/590191124.db2.gz NBQVZSPWLIFDHI-UHFFFAOYSA-N -1 3 343.426 0.948 20 30 ECEDHM C#CCC1(O)CCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)CC1 ZINC000880481864 590395353 /nfs/dbraw/zinc/39/53/53/590395353.db2.gz QYDHEKKCZZZNGE-UHFFFAOYSA-N -1 3 330.384 0.802 20 30 ECEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC[C@@H](CF)C1 ZINC000881589418 590460643 /nfs/dbraw/zinc/46/06/43/590460643.db2.gz RNBVYEDFVUROQK-NSHDSACASA-N -1 3 339.392 0.933 20 30 ECEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000882152452 590521479 /nfs/dbraw/zinc/52/14/79/590521479.db2.gz NRSXQBWMZFVKAW-ADWYPQAOSA-N -1 3 325.456 0.376 20 30 ECEDHM C#CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)C1 ZINC000885511371 590730452 /nfs/dbraw/zinc/73/04/52/590730452.db2.gz GUDCOXWGCPWVOE-LBPRGKRZSA-N -1 3 342.442 0.911 20 30 ECEDHM N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)[nH]1 ZINC000937841764 609115960 /nfs/dbraw/zinc/11/59/60/609115960.db2.gz OKDSRRKZIRXCRA-JTQLQIEISA-N -1 3 326.316 0.026 20 30 ECEDHM O=C(C[C@@H]1CCC2(CCOCC2)CO1)N[C@@H]1CCCN([O-])C1=O ZINC000908406180 609653000 /nfs/dbraw/zinc/65/30/00/609653000.db2.gz MYEQWYHLKLAFOS-QWHCGFSZSA-N -1 3 326.393 0.849 20 30 ECEDHM O=C(C[C@@H]1CCC2(CCOCC2)CO1)N[C@H]1CCCN([O-])C1=O ZINC000908406181 609653056 /nfs/dbraw/zinc/65/30/56/609653056.db2.gz MYEQWYHLKLAFOS-STQMWFEESA-N -1 3 326.393 0.849 20 30 ECEDHM Cc1occc1CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000919758609 609662417 /nfs/dbraw/zinc/66/24/17/609662417.db2.gz BNACYSIGDMTOSK-UHFFFAOYSA-N -1 3 333.369 0.943 20 30 ECEDHM C#CC[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000910052011 609705084 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