smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[N@@H+](CCCC)C(C)C ZINC000059512051 409397817 /nfs/dbraw/zinc/39/78/17/409397817.db2.gz SOHWZFPRGYAUDU-UHFFFAOYSA-N 1 1 185.355 3.687 20 0 AHADMO CCCCC[N@@H+](C)CC1CCCCC1 ZINC000060032426 343350170 /nfs/dbraw/zinc/35/01/70/343350170.db2.gz JFBJXIRZUYTUKS-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CCCCCCn1cc[nH+]c1C(C)C ZINC000069950181 572615939 /nfs/dbraw/zinc/61/59/39/572615939.db2.gz FVEISPSTLRHZGO-UHFFFAOYSA-N 1 1 194.322 3.587 20 0 AHADMO CC(C)C[N@@H+](C(C)C)C1CCCCC1 ZINC000080224370 343591245 /nfs/dbraw/zinc/59/12/45/343591245.db2.gz DZVSQFOOCRHGFC-UHFFFAOYSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC000102852380 409448953 /nfs/dbraw/zinc/44/89/53/409448953.db2.gz RLBYPPKJTKMREQ-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@H](C)[N@@H+](CC)CC1CCCCC1 ZINC000102852382 409448942 /nfs/dbraw/zinc/44/89/42/409448942.db2.gz RLBYPPKJTKMREQ-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCCC[N@@H+](CC)CCCC ZINC000112963692 574044773 /nfs/dbraw/zinc/04/47/73/574044773.db2.gz VBCHBQPSMZOZAV-UHFFFAOYSA-N 1 1 185.355 3.689 20 0 AHADMO CCCC[N@@H+](C(C)C)C1CCCCC1 ZINC000112983562 343756650 /nfs/dbraw/zinc/75/66/50/343756650.db2.gz VNFGYZOKHLGFAV-UHFFFAOYSA-N 1 1 197.366 3.830 20 0 AHADMO CCCC[N@@H+](CC)CCC(C)(C)C ZINC000114691789 490027462 /nfs/dbraw/zinc/02/74/62/490027462.db2.gz PICWNIWXJROVOT-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CCCC[N@@H+](CC)CC(CC)CC ZINC000114732102 486925527 /nfs/dbraw/zinc/92/55/27/486925527.db2.gz BOWKOSBALBSTJC-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CC(C)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000144690868 344029061 /nfs/dbraw/zinc/02/90/61/344029061.db2.gz PUYIFEGDTUVNPS-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000144691055 344028952 /nfs/dbraw/zinc/02/89/52/344028952.db2.gz PUYIFEGDTUVNPS-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCCC[N@@H+](C)CCC(C)C ZINC000144994711 582541389 /nfs/dbraw/zinc/54/13/89/582541389.db2.gz OQOWFQIWOZGNDD-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CC[N@@H+](CCCC(C)(C)C)C(C)C ZINC000147006964 582504500 /nfs/dbraw/zinc/50/45/00/582504500.db2.gz CGRSMHLZYILFOO-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CC[N@@H+](CC1CCCC1)CC(C)(C)C ZINC000148624199 486959151 /nfs/dbraw/zinc/95/91/51/486959151.db2.gz YPDCMORHOCXUSZ-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[N@@H+](CCCC(C)C)C(C)C ZINC000149177425 756995185 /nfs/dbraw/zinc/99/51/85/756995185.db2.gz YQIGVUOOWGDXHU-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO C[N@@H+](CC1CCCCC1)CC(C)(C)C ZINC000149373066 344064874 /nfs/dbraw/zinc/06/48/74/344064874.db2.gz YJWSCPVDZLGFJP-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(C)(C)C ZINC000149400641 344065635 /nfs/dbraw/zinc/06/56/35/344065635.db2.gz YJYYWASPADLUPW-TXEJJXNPSA-N 1 1 197.366 3.686 20 0 AHADMO CCCCCC[N@@H+](CC)CC(C)C ZINC000149554757 697655281 /nfs/dbraw/zinc/65/52/81/697655281.db2.gz IGQJPNDGBJZMIG-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CCCCCC[N@H+]1CCC[C@@H]1C(C)C ZINC000164213570 629961664 /nfs/dbraw/zinc/96/16/64/629961664.db2.gz OOGNEXGFHSOEKY-CYBMUJFWSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCCC[N@H+]1CCC[C@H]1C(C)C ZINC000164213682 629800619 /nfs/dbraw/zinc/80/06/19/629800619.db2.gz OOGNEXGFHSOEKY-ZDUSSCGKSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[N@@H+](CCC(C)C)[C@@H](C)CC ZINC000165195881 757011244 /nfs/dbraw/zinc/01/12/44/757011244.db2.gz SDPPHCQSZITWNB-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[N@@H+](CCC(C)C)[C@H](C)CC ZINC000165196001 757008976 /nfs/dbraw/zinc/00/89/76/757008976.db2.gz SDPPHCQSZITWNB-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[N@@H+](CCC)C1CCCCC1 ZINC000196670285 629817975 /nfs/dbraw/zinc/81/79/75/629817975.db2.gz WFRMORMUQSCWKN-UHFFFAOYSA-N 1 1 197.366 3.831 20 0 AHADMO CCCCCC[N@@H+](C)C1CCCCC1 ZINC000197112373 757024135 /nfs/dbraw/zinc/02/41/35/757024135.db2.gz SCHSQZSUSSJORW-UHFFFAOYSA-N 1 1 197.366 3.831 20 0 AHADMO CC(C)CC[N@H+]1CCC[C@@H]1CC(C)C ZINC000200363046 375405998 /nfs/dbraw/zinc/40/59/98/375405998.db2.gz YQZYBWPQYMWJBE-CYBMUJFWSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@H+]1CCC[C@H]1CC(C)C ZINC000200363077 375406071 /nfs/dbraw/zinc/40/60/71/375406071.db2.gz YQZYBWPQYMWJBE-ZDUSSCGKSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](CCC(C)(C)C)CC1CC1 ZINC000200627429 582707285 /nfs/dbraw/zinc/70/72/85/582707285.db2.gz FHJVGIUOSZEMNS-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO C[N@@H+](CCC(C)(C)C)C1CCCCC1 ZINC000202420050 582706995 /nfs/dbraw/zinc/70/69/95/582706995.db2.gz OQXRLRBHRDPDPY-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC(C)[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC000202734059 487018681 /nfs/dbraw/zinc/01/86/81/487018681.db2.gz XBVHBVMBPDFKSL-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000202850664 487018692 /nfs/dbraw/zinc/01/86/92/487018692.db2.gz VEEVRECDNDHKQA-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC000208394712 375414409 /nfs/dbraw/zinc/41/44/09/375414409.db2.gz XBVHBVMBPDFKSL-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCCC[N@@H+](C)CC(C)(C)C ZINC000218988080 583495301 /nfs/dbraw/zinc/49/53/01/583495301.db2.gz NUACRRJPECPMIH-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CCCCCC[N@@H+](C)[C@@H](C)CCC ZINC000225266316 697690325 /nfs/dbraw/zinc/69/03/25/697690325.db2.gz CZKCHVDSCFOZED-LBPRGKRZSA-N 1 1 185.355 3.687 20 0 AHADMO CCCCCC[N@@H+](C)[C@H](C)CCC ZINC000225266350 697690302 /nfs/dbraw/zinc/69/03/02/697690302.db2.gz CZKCHVDSCFOZED-GFCCVEGCSA-N 1 1 185.355 3.687 20 0 AHADMO CCC(C)(C)[N@@H+](C)CCC(C)(C)C ZINC000308192360 346267685 /nfs/dbraw/zinc/26/76/85/346267685.db2.gz ORJQNQKGHCBLTC-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CCC(CC)[N@@H+](CC)CCC(C)C ZINC000308208108 491084337 /nfs/dbraw/zinc/08/43/37/491084337.db2.gz DPLVFKBIXFMIIL-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H](C)[N@@H+](CCC)CC(C)C ZINC000308212707 487196803 /nfs/dbraw/zinc/19/68/03/487196803.db2.gz HHBMMEJFBDGKMC-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@H](C)[N@@H+](CCC)CC(C)C ZINC000308212708 487196748 /nfs/dbraw/zinc/19/67/48/487196748.db2.gz HHBMMEJFBDGKMC-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H](C)C[N@@H+](C)C(C)(C)CC ZINC000308215351 491084947 /nfs/dbraw/zinc/08/49/47/491084947.db2.gz JCCNCTIMAMRYDE-LLVKDONJSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@H](C)C[N@@H+](C)C(C)(C)CC ZINC000308215352 491084810 /nfs/dbraw/zinc/08/48/10/491084810.db2.gz JCCNCTIMAMRYDE-NSHDSACASA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H](C)C[N@@H+](C)[C@@H](C)CCC ZINC000308233778 491086749 /nfs/dbraw/zinc/08/67/49/491086749.db2.gz QAPDRGRBUKSLSW-NEPJUHHUSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H](C)[N@H+](C)C[C@@H](C)CCC ZINC000308233779 491086734 /nfs/dbraw/zinc/08/67/34/491086734.db2.gz QAPDRGRBUKSLSW-NWDGAFQWSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@H](C)C[N@@H+](C)[C@@H](C)CCC ZINC000308233780 491086717 /nfs/dbraw/zinc/08/67/17/491086717.db2.gz QAPDRGRBUKSLSW-RYUDHWBXSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H](C)C[N@@H+](C)[C@H](C)CCC ZINC000308233781 491086810 /nfs/dbraw/zinc/08/68/10/491086810.db2.gz QAPDRGRBUKSLSW-VXGBXAGGSA-N 1 1 185.355 3.543 20 0 AHADMO CCCCC[N@@H+](CCC)CC(C)C ZINC000308234216 346273264 /nfs/dbraw/zinc/27/32/64/346273264.db2.gz QDMIXPYQKJZHBK-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CCCC[C@H](C)[N@@H+](C)C[C@H](C)CC ZINC000308287459 491093113 /nfs/dbraw/zinc/09/31/13/491093113.db2.gz FBIIAPXZMZIKMG-NEPJUHHUSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](C)CC ZINC000308287460 491093101 /nfs/dbraw/zinc/09/31/01/491093101.db2.gz FBIIAPXZMZIKMG-NWDGAFQWSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[C@H](C)[N@@H+](C)C[C@@H](C)CC ZINC000308287461 491093207 /nfs/dbraw/zinc/09/32/07/491093207.db2.gz FBIIAPXZMZIKMG-RYUDHWBXSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[C@@H](C)[N@@H+](C)C[C@H](C)CC ZINC000308287462 491093159 /nfs/dbraw/zinc/09/31/59/491093159.db2.gz FBIIAPXZMZIKMG-VXGBXAGGSA-N 1 1 185.355 3.543 20 0 AHADMO CCC(CC)[N@H+](CC)C[C@H](C)CC ZINC000308293494 491093831 /nfs/dbraw/zinc/09/38/31/491093831.db2.gz IUBCVTAKHMTDAK-LLVKDONJSA-N 1 1 185.355 3.543 20 0 AHADMO CCC(CC)[N@H+](CC)C[C@@H](C)CC ZINC000308293495 491093727 /nfs/dbraw/zinc/09/37/27/491093727.db2.gz IUBCVTAKHMTDAK-NSHDSACASA-N 1 1 185.355 3.543 20 0 AHADMO CCC(CC)C[N@@H+](CC)[C@H](C)CC ZINC000308309573 491095370 /nfs/dbraw/zinc/09/53/70/491095370.db2.gz QIPSWFKZEOAIBS-LLVKDONJSA-N 1 1 185.355 3.543 20 0 AHADMO CCC(CC)C[N@@H+](CC)[C@@H](C)CC ZINC000308309575 491095399 /nfs/dbraw/zinc/09/53/99/491095399.db2.gz QIPSWFKZEOAIBS-NSHDSACASA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[C@@H](C)[N@@H+](C)CCC(C)C ZINC000308311238 491095584 /nfs/dbraw/zinc/09/55/84/491095584.db2.gz RMIXUPIVXDWIGW-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[C@H](C)[N@@H+](C)CCC(C)C ZINC000308311239 491095558 /nfs/dbraw/zinc/09/55/58/491095558.db2.gz RMIXUPIVXDWIGW-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC000308327185 346289980 /nfs/dbraw/zinc/28/99/80/346289980.db2.gz GFSPHIPTDQDZNE-LLVKDONJSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC000308327186 346290009 /nfs/dbraw/zinc/29/00/09/346290009.db2.gz GFSPHIPTDQDZNE-NSHDSACASA-N 1 1 185.355 3.543 20 0 AHADMO CCC[N@@H+](CC(C)C)C(CC)CC ZINC000308328643 491097491 /nfs/dbraw/zinc/09/74/91/491097491.db2.gz HJVVZZQCTUOMSI-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[N@@H+](C)[C@H](C)CCCC(C)C ZINC000308384736 573412912 /nfs/dbraw/zinc/41/29/12/573412912.db2.gz WFIQCGOJLLLVID-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[N@@H+](C)[C@@H](C)CCCC(C)C ZINC000308384739 573409620 /nfs/dbraw/zinc/40/96/20/573409620.db2.gz WFIQCGOJLLLVID-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H](C)[N@@H+](C)CCCC(C)C ZINC000308385254 491100199 /nfs/dbraw/zinc/10/01/99/491100199.db2.gz WMTMQQRZIXSCSS-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@H](C)[N@@H+](C)CCCC(C)C ZINC000308385255 491100232 /nfs/dbraw/zinc/10/02/32/491100232.db2.gz WMTMQQRZIXSCSS-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CCCCCC[N@@H+](C)[C@H](C)C(C)C ZINC000308396189 573506874 /nfs/dbraw/zinc/50/68/74/573506874.db2.gz DITLOWHMJFCSDU-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCCCCC[N@@H+](C)[C@@H](C)C(C)C ZINC000308396190 573508762 /nfs/dbraw/zinc/50/87/62/573508762.db2.gz DITLOWHMJFCSDU-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CCCCCC[N@@H+](C)C[C@H](C)CC ZINC000308413655 673944791 /nfs/dbraw/zinc/94/47/91/673944791.db2.gz MKIGOLFIUJMQQH-GFCCVEGCSA-N 1 1 185.355 3.545 20 0 AHADMO CCCCCC[N@@H+](C)C[C@@H](C)CC ZINC000308413656 573677199 /nfs/dbraw/zinc/67/71/99/573677199.db2.gz MKIGOLFIUJMQQH-LBPRGKRZSA-N 1 1 185.355 3.545 20 0 AHADMO CCC(CC)[N@@H+](C)CCCC(C)C ZINC000308487507 573060300 /nfs/dbraw/zinc/06/03/00/573060300.db2.gz PSIWRLBGFBENDO-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CCCCC[N@@H+](CC)[C@H](C)C(C)C ZINC000379361126 346507021 /nfs/dbraw/zinc/50/70/21/346507021.db2.gz DLXIHAGIVIVHLD-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCCCC[N@@H+](CC)[C@@H](C)C(C)C ZINC000379361127 346506823 /nfs/dbraw/zinc/50/68/23/346506823.db2.gz DLXIHAGIVIVHLD-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@H](C)[N@@H+](CC)C[C@H](C)CC ZINC000379372371 487240556 /nfs/dbraw/zinc/24/05/56/487240556.db2.gz JJRAYDMVFRXYTJ-NEPJUHHUSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC ZINC000379372372 487240198 /nfs/dbraw/zinc/24/01/98/487240198.db2.gz JJRAYDMVFRXYTJ-NWDGAFQWSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@H](C)[N@@H+](CC)C[C@@H](C)CC ZINC000379372373 487240630 /nfs/dbraw/zinc/24/06/30/487240630.db2.gz JJRAYDMVFRXYTJ-RYUDHWBXSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H](C)[N@@H+](CC)C[C@H](C)CC ZINC000379372374 487240580 /nfs/dbraw/zinc/24/05/80/487240580.db2.gz JJRAYDMVFRXYTJ-VXGBXAGGSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[N@@H+](C)CCC(C)(C)CC ZINC000379385713 346512157 /nfs/dbraw/zinc/51/21/57/346512157.db2.gz VAWFHFPAALZPKU-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CCCC[N@@H+](CC)[C@H](C)CC(C)C ZINC000379388073 538380982 /nfs/dbraw/zinc/38/09/82/538380982.db2.gz IUDKIUPAPMDMFA-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[N@@H+](CC)[C@@H](C)CC(C)C ZINC000379388074 538380517 /nfs/dbraw/zinc/38/05/17/538380517.db2.gz IUDKIUPAPMDMFA-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CC[C@@H](C)[N@@H+](C)CCCC(C)(C)C ZINC000379394825 538386243 /nfs/dbraw/zinc/38/62/43/538386243.db2.gz YFJIWRYHTKDBEW-LLVKDONJSA-N 1 1 185.355 3.543 20 0 AHADMO CC[C@H](C)[N@@H+](C)CCCC(C)(C)C ZINC000379394826 538387013 /nfs/dbraw/zinc/38/70/13/538387013.db2.gz YFJIWRYHTKDBEW-NSHDSACASA-N 1 1 185.355 3.543 20 0 AHADMO CCCCC[N@@H+](CC(C)C)C(C)C ZINC000388232147 346548723 /nfs/dbraw/zinc/54/87/23/346548723.db2.gz MXXKWGOERNXOSZ-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000388577506 409957628 /nfs/dbraw/zinc/95/76/28/409957628.db2.gz CHPQXPLGZJMMDX-JTQLQIEISA-N 1 1 197.347 3.541 20 0 AHADMO CCCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000388577508 409957304 /nfs/dbraw/zinc/95/73/04/409957304.db2.gz CHPQXPLGZJMMDX-SNVBAGLBSA-N 1 1 197.347 3.541 20 0 AHADMO CC[C@@H](C)[N@@H+](C)CCC(C)(C)CC ZINC000388578024 346559204 /nfs/dbraw/zinc/55/92/04/346559204.db2.gz CQZZQQYNPGOVQB-LLVKDONJSA-N 1 1 185.355 3.543 20 0 AHADMO CC[C@H](C)[N@@H+](C)CCC(C)(C)CC ZINC000388578025 346558861 /nfs/dbraw/zinc/55/88/61/346558861.db2.gz CQZZQQYNPGOVQB-NSHDSACASA-N 1 1 185.355 3.543 20 0 AHADMO CC[N@@H+](CCC(C)(C)CC)C(C)C ZINC000388627448 697982231 /nfs/dbraw/zinc/98/22/31/697982231.db2.gz JNKJOMXRLFCEES-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[N@@H+](CC)CCC(C)(C)CC ZINC000388711757 346564728 /nfs/dbraw/zinc/56/47/28/346564728.db2.gz PSFQUXSRCUNBGQ-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CCCCC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000388753738 346566417 /nfs/dbraw/zinc/56/64/17/346566417.db2.gz CHKYNISFQBEUCA-LLVKDONJSA-N 1 1 185.355 3.543 20 0 AHADMO CCCCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000388753742 346566513 /nfs/dbraw/zinc/56/65/13/346566513.db2.gz CHKYNISFQBEUCA-NSHDSACASA-N 1 1 185.355 3.543 20 0 AHADMO CCC(C)(C)[N@@H+](C)CCCC(C)C ZINC000393577769 573224691 /nfs/dbraw/zinc/22/46/91/573224691.db2.gz AAKQFKARCCPCLG-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CC(C)C[N@@H+](C)CCC1CCCCC1 ZINC000585761983 346762023 /nfs/dbraw/zinc/76/20/23/346762023.db2.gz OMVMESJTZXHWEB-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[N@@H+](C)CCC1CCCCC1 ZINC000586768536 346762882 /nfs/dbraw/zinc/76/28/82/346762882.db2.gz UETNJDGTPPGPOJ-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CC(C)C[N@@H+](CC1CCCC1)C(C)C ZINC000590058842 346776216 /nfs/dbraw/zinc/77/62/16/346776216.db2.gz WFNAFMPPHBTFPQ-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000591378167 346813198 /nfs/dbraw/zinc/81/31/98/346813198.db2.gz XEJAAUPMMCWXEZ-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000591378168 346813305 /nfs/dbraw/zinc/81/33/05/346813305.db2.gz XEJAAUPMMCWXEZ-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000591475631 346816504 /nfs/dbraw/zinc/81/65/04/346816504.db2.gz RWRGQKTTWASAFA-NEPJUHHUSA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[N@@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000591475632 346816544 /nfs/dbraw/zinc/81/65/44/346816544.db2.gz RWRGQKTTWASAFA-NWDGAFQWSA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[N@@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000591475633 346816524 /nfs/dbraw/zinc/81/65/24/346816524.db2.gz RWRGQKTTWASAFA-RYUDHWBXSA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[N@@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000591475634 346816530 /nfs/dbraw/zinc/81/65/30/346816530.db2.gz RWRGQKTTWASAFA-VXGBXAGGSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H](C)[C@H](C)[N@@H+](CC(C)C)C1CC1 ZINC000591476474 346816597 /nfs/dbraw/zinc/81/65/97/346816597.db2.gz RIZNMXPQGBYSBM-NEPJUHHUSA-N 1 1 197.366 3.541 20 0 AHADMO CC[C@H](C)[C@@H](C)[N@@H+](CC(C)C)C1CC1 ZINC000591476475 346816562 /nfs/dbraw/zinc/81/65/62/346816562.db2.gz 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197.366 3.545 20 0 AHADMO CCCC[N@@H+](CCC(C)(C)C)C1CC1 ZINC000602860868 346946103 /nfs/dbraw/zinc/94/61/03/346946103.db2.gz DFXUPDNHZGJUBG-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC(C)C[N@@H+](CCC(C)(C)C)C1CC1 ZINC000602860905 346946286 /nfs/dbraw/zinc/94/62/86/346946286.db2.gz GDLGGPHIWWHNAW-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)C[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC000602861009 346946532 /nfs/dbraw/zinc/94/65/32/346946532.db2.gz MBQYQMXQLAGBGX-GFCCVEGCSA-N 1 1 199.382 3.789 20 0 AHADMO CC(C)C[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC000602861034 346946214 /nfs/dbraw/zinc/94/62/14/346946214.db2.gz MBQYQMXQLAGBGX-LBPRGKRZSA-N 1 1 199.382 3.789 20 0 AHADMO CC(C)[N@@H+](CCC(C)(C)C)CC1CC1 ZINC000602862335 346946080 /nfs/dbraw/zinc/94/60/80/346946080.db2.gz BYJWCBCTZLQNDD-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CC[N@@H+](CCC(C)(C)C)C1CCCC1 ZINC000602862404 346946350 /nfs/dbraw/zinc/94/63/50/346946350.db2.gz HQQZMZZDOFDETL-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000602862763 346946126 /nfs/dbraw/zinc/94/61/26/346946126.db2.gz SCUJHSHFFXRCKV-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000602862765 346946501 /nfs/dbraw/zinc/94/65/01/346946501.db2.gz SCUJHSHFFXRCKV-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[N@@H+](CCC(C)(C)C)CC(C)C ZINC000602868789 346946600 /nfs/dbraw/zinc/94/66/00/346946600.db2.gz AAPGLIWRIXKSMC-UHFFFAOYSA-N 1 1 199.382 3.791 20 0 AHADMO CC(C)[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC000602877245 346947645 /nfs/dbraw/zinc/94/76/45/346947645.db2.gz QEZJYSFXIJUYGM-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC000602877246 346947325 /nfs/dbraw/zinc/94/73/25/346947325.db2.gz QEZJYSFXIJUYGM-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC[N@@H+](CCC(C)(C)C)[C@H](C)C(C)C ZINC000603555271 346956624 /nfs/dbraw/zinc/95/66/24/346956624.db2.gz AQWMFXCPBLELMX-GFCCVEGCSA-N 1 1 199.382 3.789 20 0 AHADMO CC[N@@H+](CCC(C)(C)C)[C@@H](C)C(C)C ZINC000603555272 346956562 /nfs/dbraw/zinc/95/65/62/346956562.db2.gz AQWMFXCPBLELMX-LBPRGKRZSA-N 1 1 199.382 3.789 20 0 AHADMO CCC(C)(C)[N@@H+](C)CC1CCCCC1 ZINC000603821909 346958263 /nfs/dbraw/zinc/95/82/63/346958263.db2.gz SENWGYLJXLCWTC-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000604055128 346961163 /nfs/dbraw/zinc/96/11/63/346961163.db2.gz KJAPRLQVBDZBMW-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000604055129 346961057 /nfs/dbraw/zinc/96/10/57/346961057.db2.gz KJAPRLQVBDZBMW-ZDUSSCGKSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000604759877 346965360 /nfs/dbraw/zinc/96/53/60/346965360.db2.gz QFRYJIQHZJKWCN-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000604759878 346965597 /nfs/dbraw/zinc/96/55/97/346965597.db2.gz QFRYJIQHZJKWCN-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC000604999056 346967407 /nfs/dbraw/zinc/96/74/07/346967407.db2.gz IFHVQHOBHMGPIY-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC000604999057 346967633 /nfs/dbraw/zinc/96/76/33/346967633.db2.gz IFHVQHOBHMGPIY-ZDUSSCGKSA-N 1 1 197.366 3.545 20 0 AHADMO CC(C)CC[N@H+]1CCCC[C@@H]1C(C)C ZINC000605000673 346967489 /nfs/dbraw/zinc/96/74/89/346967489.db2.gz QBFYPZNCLISMIX-CYBMUJFWSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@H+]1CCCC[C@H]1C(C)C ZINC000605000674 346967473 /nfs/dbraw/zinc/96/74/73/346967473.db2.gz QBFYPZNCLISMIX-ZDUSSCGKSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCC[N@@H+](CCC(C)C)C1CC1 ZINC000605149735 346967543 /nfs/dbraw/zinc/96/75/43/346967543.db2.gz FEYZEOZPDWQTEQ-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCC[N@@H+](C)C1CCCCCC1 ZINC000605149756 346968462 /nfs/dbraw/zinc/96/84/62/346968462.db2.gz KCJAYFRAFKLUMR-UHFFFAOYSA-N 1 1 197.366 3.831 20 0 AHADMO CCCCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000605149858 346968361 /nfs/dbraw/zinc/96/83/61/346968361.db2.gz HUJSIKQUNLNVAX-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000605149859 346968403 /nfs/dbraw/zinc/96/84/03/346968403.db2.gz HUJSIKQUNLNVAX-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000605149860 346968256 /nfs/dbraw/zinc/96/82/56/346968256.db2.gz HUJSIKQUNLNVAX-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000605149861 346968309 /nfs/dbraw/zinc/96/83/09/346968309.db2.gz HUJSIKQUNLNVAX-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CCCCC[N@@H+](C1CC1)C1CCCC1 ZINC000605149887 346968456 /nfs/dbraw/zinc/96/84/56/346968456.db2.gz KUJZSQCUEIXMMT-UHFFFAOYSA-N 1 1 195.350 3.584 20 0 AHADMO CCCCC[N@@H+](C(CC)CC)C1CC1 ZINC000605150131 346968236 /nfs/dbraw/zinc/96/82/36/346968236.db2.gz WNWQBIFHDYWIMH-UHFFFAOYSA-N 1 1 197.366 3.830 20 0 AHADMO CCCCC[N@H+]1CCC[C@@H]1CC(C)C ZINC000605150226 346968356 /nfs/dbraw/zinc/96/83/56/346968356.db2.gz NUULYXOALAINNE-CYBMUJFWSA-N 1 1 197.366 3.687 20 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346982331 /nfs/dbraw/zinc/98/23/31/346982331.db2.gz LDAXHJRHLKEMKW-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(C)C ZINC000606434106 346982439 /nfs/dbraw/zinc/98/24/39/346982439.db2.gz LDAXHJRHLKEMKW-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(C)C ZINC000606434107 346982410 /nfs/dbraw/zinc/98/24/10/346982410.db2.gz LDAXHJRHLKEMKW-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(C)C ZINC000606434108 346982648 /nfs/dbraw/zinc/98/26/48/346982648.db2.gz LDAXHJRHLKEMKW-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000606434437 346982518 /nfs/dbraw/zinc/98/25/18/346982518.db2.gz ZPGVUICJYDSWDW-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@H+]1CCCC[C@H]1[C@H](C)CC ZINC000606434438 346982406 /nfs/dbraw/zinc/98/24/06/346982406.db2.gz ZPGVUICJYDSWDW-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000606434439 346982490 /nfs/dbraw/zinc/98/24/90/346982490.db2.gz ZPGVUICJYDSWDW-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000606434440 346982146 /nfs/dbraw/zinc/98/21/46/346982146.db2.gz ZPGVUICJYDSWDW-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@@H]1CCCCC[N@H+]1CCC(C)C ZINC000606900751 346986501 /nfs/dbraw/zinc/98/65/01/346986501.db2.gz KXKTZSRXDCNVIZ-CYBMUJFWSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@H]1CCCCC[N@H+]1CCC(C)C ZINC000606900752 346986568 /nfs/dbraw/zinc/98/65/68/346986568.db2.gz KXKTZSRXDCNVIZ-ZDUSSCGKSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@@H]1CCCCC[N@H+]1CC=C(C)C ZINC000606901127 346986433 /nfs/dbraw/zinc/98/64/33/346986433.db2.gz DAEZYXYQQOIAKP-CYBMUJFWSA-N 1 1 195.350 3.607 20 0 AHADMO CC[C@H]1CCCCC[N@H+]1CC=C(C)C ZINC000606901128 346986187 /nfs/dbraw/zinc/98/61/87/346986187.db2.gz DAEZYXYQQOIAKP-ZDUSSCGKSA-N 1 1 195.350 3.607 20 0 AHADMO CC(C)[N@@H+](CCC(C)(C)C)C1CCC1 ZINC000607155915 346989500 /nfs/dbraw/zinc/98/95/00/346989500.db2.gz OFKCBMGAISVPNP-UHFFFAOYSA-N 1 1 197.366 3.686 20 0 AHADMO CCC[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000607156927 346989644 /nfs/dbraw/zinc/98/96/44/346989644.db2.gz IRCSEGYSNCCYNW-CYBMUJFWSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[N@H+]1CCCCC[C@H]1CC(C)C ZINC000607156928 346990282 /nfs/dbraw/zinc/99/02/82/346990282.db2.gz IRCSEGYSNCCYNW-ZDUSSCGKSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CC)CCC1CCCC1 ZINC000607726217 352926648 /nfs/dbraw/zinc/92/66/48/352926648.db2.gz BEGUDQLHALLPNU-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CC(C)[C@@H](C)[N@@H+](C)CCC1CCCC1 ZINC000607726262 352926556 /nfs/dbraw/zinc/92/65/56/352926556.db2.gz IQLLCVVCGCEDHU-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)[C@H](C)[N@@H+](C)CCC1CCCC1 ZINC000607726263 352926385 /nfs/dbraw/zinc/92/63/85/352926385.db2.gz IQLLCVVCGCEDHU-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H](C)[N@@H+](C)CCC1CCCC1 ZINC000607726675 346993005 /nfs/dbraw/zinc/99/30/05/346993005.db2.gz PSMHVQOFEFUHRI-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H](C)[N@@H+](C)CCC1CCCC1 ZINC000607726676 346992998 /nfs/dbraw/zinc/99/29/98/346992998.db2.gz PSMHVQOFEFUHRI-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CC(C)CC[N@@H+](C)CCC1CCCC1 ZINC000607727230 346992564 /nfs/dbraw/zinc/99/25/64/346992564.db2.gz QGZAFQARPNMONN-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO C[N@@H+](CCC1CCCC1)CC(C)(C)C ZINC000607729083 346993855 /nfs/dbraw/zinc/99/38/55/346993855.db2.gz YSOCVVZPGYKMTN-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@@H](C)C[N@@H+](C)CCC1CCCC1 ZINC000607731609 346994425 /nfs/dbraw/zinc/99/44/25/346994425.db2.gz MCZUIPLKVHGKQA-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H](C)C[N@@H+](C)CCC1CCCC1 ZINC000607731610 346994615 /nfs/dbraw/zinc/99/46/15/346994615.db2.gz MCZUIPLKVHGKQA-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(C)(C)[N@@H+](C)CCC1CCCC1 ZINC000607732108 346994301 /nfs/dbraw/zinc/99/43/01/346994301.db2.gz KZMSBTVRZPCDPM-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[N@@H+](CCC1CCCC1)CC(C)C ZINC000607732388 346994329 /nfs/dbraw/zinc/99/43/29/346994329.db2.gz BYFANISEJDEJPM-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO C[C@@H]1CCC[N@@H+](CCC(C)(C)C)[C@H]1C ZINC000607740286 346995773 /nfs/dbraw/zinc/99/57/73/346995773.db2.gz HGAJSEFQQUQZNJ-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(C)(C)C ZINC000607740287 346995940 /nfs/dbraw/zinc/99/59/40/346995940.db2.gz HGAJSEFQQUQZNJ-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H]1CCC[N@@H+](CCC(C)(C)C)[C@H]1C ZINC000607740288 346995598 /nfs/dbraw/zinc/99/55/98/346995598.db2.gz HGAJSEFQQUQZNJ-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H]1CCC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC000607740289 346995786 /nfs/dbraw/zinc/99/57/86/346995786.db2.gz HGAJSEFQQUQZNJ-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000607742519 346996339 /nfs/dbraw/zinc/99/63/39/346996339.db2.gz KHCHXRNWQWFOJE-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000607742520 346996747 /nfs/dbraw/zinc/99/67/47/346996747.db2.gz KHCHXRNWQWFOJE-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000607742521 346996710 /nfs/dbraw/zinc/99/67/10/346996710.db2.gz KHCHXRNWQWFOJE-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000607742522 346996262 /nfs/dbraw/zinc/99/62/62/346996262.db2.gz KHCHXRNWQWFOJE-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@H+]1CCCC(C)(C)CC1 ZINC000607748510 346996623 /nfs/dbraw/zinc/99/66/23/346996623.db2.gz PXMBPMKVVKJXNT-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CCCCC[N@@H+](C[C@H]1C[C@H]1C)C(C)C ZINC000607751178 346996614 /nfs/dbraw/zinc/99/66/14/346996614.db2.gz CFEXVWANWXPEJJ-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCC[N@@H+](C[C@@H]1C[C@H]1C)C(C)C ZINC000607751179 346996482 /nfs/dbraw/zinc/99/64/82/346996482.db2.gz CFEXVWANWXPEJJ-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCC[N@@H+](C[C@H]1C[C@@H]1C)C(C)C ZINC000607751180 346996448 /nfs/dbraw/zinc/99/64/48/346996448.db2.gz CFEXVWANWXPEJJ-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCC[N@@H+](C[C@@H]1C[C@@H]1C)C(C)C ZINC000607751181 346996665 /nfs/dbraw/zinc/99/66/65/346996665.db2.gz CFEXVWANWXPEJJ-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CCC(C)(C)CC[N@@H+](C)C1CCCC1 ZINC000608491746 347002426 /nfs/dbraw/zinc/00/24/26/347002426.db2.gz BAZIQNDCQOLXKI-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(C)(C)CC[N@@H+](C)[C@H](C)C(C)C ZINC000608491823 347002625 /nfs/dbraw/zinc/00/26/25/347002625.db2.gz OKHIPKKRAZWFJG-GFCCVEGCSA-N 1 1 199.382 3.789 20 0 AHADMO CCC(C)(C)CC[N@@H+](C)[C@@H](C)C(C)C ZINC000608491824 347002734 /nfs/dbraw/zinc/00/27/34/347002734.db2.gz OKHIPKKRAZWFJG-LBPRGKRZSA-N 1 1 199.382 3.789 20 0 AHADMO CCC(C)(C)CC[N@@H+](C)[C@H](C)C1CC1 ZINC000608491871 347002411 /nfs/dbraw/zinc/00/24/11/347002411.db2.gz GAXAMRUEOHSFIB-LLVKDONJSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(C)(C)CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000608491872 347002520 /nfs/dbraw/zinc/00/25/20/347002520.db2.gz GAXAMRUEOHSFIB-NSHDSACASA-N 1 1 197.366 3.543 20 0 AHADMO CCC(C)(C)CC[N@H+]1CCC[C@@H](C)C1 ZINC000608491917 347002644 /nfs/dbraw/zinc/00/26/44/347002644.db2.gz IXMSCFWOAOYVNF-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(C)(C)CC[N@H+]1CCC[C@H](C)C1 ZINC000608491918 347002329 /nfs/dbraw/zinc/00/23/29/347002329.db2.gz IXMSCFWOAOYVNF-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(C)(C)CC[N@H+]1CCCC[C@H]1C ZINC000608491939 347002528 /nfs/dbraw/zinc/00/25/28/347002528.db2.gz RSKLJOOCPTZEPZ-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(C)(C)CC[N@H+]1CCCC[C@@H]1C ZINC000608491940 347002749 /nfs/dbraw/zinc/00/27/49/347002749.db2.gz RSKLJOOCPTZEPZ-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H](C)[N@@H+](C)CCC(C)(C)CC ZINC000608492137 347003654 /nfs/dbraw/zinc/00/36/54/347003654.db2.gz GXEODPSWWLTFQN-GFCCVEGCSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[C@H](C)[N@@H+](C)CCC(C)(C)CC ZINC000608492138 347003584 /nfs/dbraw/zinc/00/35/84/347003584.db2.gz 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CCC(C)(C)CC[N@@H+](C)CCC(C)C ZINC000608493026 347004123 /nfs/dbraw/zinc/00/41/23/347004123.db2.gz WYCOSTUEIDPVNX-UHFFFAOYSA-N 1 1 199.382 3.791 20 0 AHADMO CCC(C)(C)CC[N@@H+](C)CC(C)(C)C ZINC000608494197 347005484 /nfs/dbraw/zinc/00/54/84/347005484.db2.gz NKQMRPUCMHVXKE-UHFFFAOYSA-N 1 1 199.382 3.791 20 0 AHADMO CC[C@@H]1CCC[N@H+]1CCC(C)(C)CC ZINC000608494475 347005013 /nfs/dbraw/zinc/00/50/13/347005013.db2.gz FHCRLLHFDNHANN-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@H]1CCC[N@H+]1CCC(C)(C)CC ZINC000608494479 347005299 /nfs/dbraw/zinc/00/52/99/347005299.db2.gz FHCRLLHFDNHANN-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(C)(C)CC[N@H+]1CCCC1(C)C ZINC000608494870 347005171 /nfs/dbraw/zinc/00/51/71/347005171.db2.gz GBQYHZHQLBMQFG-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@@H](C)C[N@@H+](C)CCC(C)(C)CC ZINC000608497049 347006397 /nfs/dbraw/zinc/00/63/97/347006397.db2.gz WEKKSWJUJWHPTH-GFCCVEGCSA-N 1 1 199.382 3.791 20 0 AHADMO CC[C@H](C)C[N@@H+](C)CCC(C)(C)CC ZINC000608497051 347005926 /nfs/dbraw/zinc/00/59/26/347005926.db2.gz WEKKSWJUJWHPTH-LBPRGKRZSA-N 1 1 199.382 3.791 20 0 AHADMO CC[N@@H+](CCC(C)(C)CC)CC1CC1 ZINC000608497293 347006489 /nfs/dbraw/zinc/00/64/89/347006489.db2.gz FHOFMJVBICYDAQ-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(C)(C)CC[N@H+]1C[C@H](C)C[C@@H]1C ZINC000608497509 347006292 /nfs/dbraw/zinc/00/62/92/347006292.db2.gz BLZDSDMGGIURQH-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(C)(C)CC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000608497511 347006127 /nfs/dbraw/zinc/00/61/27/347006127.db2.gz BLZDSDMGGIURQH-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(C)(C)CC[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000608497512 347005972 /nfs/dbraw/zinc/00/59/72/347005972.db2.gz BLZDSDMGGIURQH-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(C)(C)CC[N@H+]1C[C@H](C)C[C@H]1C ZINC000608497513 347006174 /nfs/dbraw/zinc/00/61/74/347006174.db2.gz BLZDSDMGGIURQH-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](CCC(C)(C)CC)C1CC1 ZINC000608500553 347008375 /nfs/dbraw/zinc/00/83/75/347008375.db2.gz IAKXWWYHLFLYIH-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[N@@H+](CCC(C)(C)CC)C1CCC1 ZINC000608501656 347009106 /nfs/dbraw/zinc/00/91/06/347009106.db2.gz DRNOZHQLKCBGFW-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@]1(C)CCC[N@@H+](CCC(C)C)C1 ZINC000608508095 347009827 /nfs/dbraw/zinc/00/98/27/347009827.db2.gz YLILQWXAEZRGMH-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@@]1(C)CCC[N@@H+](CCC(C)C)C1 ZINC000608508096 347009952 /nfs/dbraw/zinc/00/99/52/347009952.db2.gz YLILQWXAEZRGMH-ZDUSSCGKSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(C)(C)CC[N@H+]1CCC(C)(C)C1 ZINC000608508553 347009895 /nfs/dbraw/zinc/00/98/95/347009895.db2.gz VEYNKLLNLUKFHC-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@]1(C)CCC[N@@H+](CC(C)C)C1 ZINC000608510835 347009592 /nfs/dbraw/zinc/00/95/92/347009592.db2.gz JXEOOXHEXKTKSS-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@@]1(C)CCC[N@@H+](CC(C)C)C1 ZINC000608510836 347009865 /nfs/dbraw/zinc/00/98/65/347009865.db2.gz JXEOOXHEXKTKSS-ZDUSSCGKSA-N 1 1 197.366 3.545 20 0 AHADMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(C)(C)C ZINC000608511188 347010589 /nfs/dbraw/zinc/01/05/89/347010589.db2.gz BCDNMOJAZRGHBP-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC000608511189 347010724 /nfs/dbraw/zinc/01/07/24/347010724.db2.gz BCDNMOJAZRGHBP-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC000608511190 347010801 /nfs/dbraw/zinc/01/08/01/347010801.db2.gz BCDNMOJAZRGHBP-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(C)(C)CC[N@@H+](C)C(C)(C)CC ZINC000608563209 347011549 /nfs/dbraw/zinc/01/15/49/347011549.db2.gz FRWDSIVUKOBXBQ-UHFFFAOYSA-N 1 1 199.382 3.933 20 0 AHADMO CCCCC[N@H+]1CC[C@H](CC(C)C)C1 ZINC000608746435 347013027 /nfs/dbraw/zinc/01/30/27/347013027.db2.gz IFQPHVGYATYFDQ-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CCCCC[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000608746437 347013378 /nfs/dbraw/zinc/01/33/78/347013378.db2.gz IFQPHVGYATYFDQ-ZDUSSCGKSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(C)(C)C ZINC000608752328 347013285 /nfs/dbraw/zinc/01/32/85/347013285.db2.gz GPBCYKRZSMERRC-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(C)(C)C ZINC000608752329 347012923 /nfs/dbraw/zinc/01/29/23/347012923.db2.gz GPBCYKRZSMERRC-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(C)(C)C ZINC000608752330 347013226 /nfs/dbraw/zinc/01/32/26/347013226.db2.gz GPBCYKRZSMERRC-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(C)(C)C ZINC000608752331 347013310 /nfs/dbraw/zinc/01/33/10/347013310.db2.gz GPBCYKRZSMERRC-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCC[N@@H+](CCC(C)C)C(C)C ZINC000613408345 371866270 /nfs/dbraw/zinc/86/62/70/371866270.db2.gz HHNWWGHSCMAWEX-UHFFFAOYSA-N 1 1 199.382 3.933 20 0 AHADMO CCCCC[N@@H+](CC=C(C)C)C(C)C ZINC000613408402 371865721 /nfs/dbraw/zinc/86/57/21/371865721.db2.gz IUJBIBINXYEWCO-UHFFFAOYSA-N 1 1 197.366 3.853 20 0 AHADMO 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ZINC000676740969 486869315 /nfs/dbraw/zinc/86/93/15/486869315.db2.gz GREZLUSMDHLXGX-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)[N@@H+](CC)[C@@H]1C=CCCC1 ZINC000677232430 486880967 /nfs/dbraw/zinc/88/09/67/486880967.db2.gz MRDGYEDEPGMJEM-CYBMUJFWSA-N 1 1 195.350 3.606 20 0 AHADMO CCC(CC)[N@@H+](CC)[C@H]1C=CCCC1 ZINC000677232431 486880275 /nfs/dbraw/zinc/88/02/75/486880275.db2.gz MRDGYEDEPGMJEM-ZDUSSCGKSA-N 1 1 195.350 3.606 20 0 AHADMO CCCC[N@H+]1CCCC12CCCCC2 ZINC000677568743 486889879 /nfs/dbraw/zinc/88/98/79/486889879.db2.gz DIRYUPOZJZGLFQ-UHFFFAOYSA-N 1 1 195.350 3.585 20 0 AHADMO CCC[C@@H](C)[N@@H+](C)CC(CC)CC ZINC000678140293 486921341 /nfs/dbraw/zinc/92/13/41/486921341.db2.gz CZQKZQDUHOTUEY-LLVKDONJSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@H](C)[N@@H+](C)CC(CC)CC ZINC000678140295 486921494 /nfs/dbraw/zinc/92/14/94/486921494.db2.gz CZQKZQDUHOTUEY-NSHDSACASA-N 1 1 185.355 3.543 20 0 AHADMO CCC(CC)C[N@@H+](CC1CC1)C(C)C ZINC000678157127 486922905 /nfs/dbraw/zinc/92/29/05/486922905.db2.gz URUJVKFMLKUOSG-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@@H+](C)C(C)(C)CC ZINC000678259160 486928634 /nfs/dbraw/zinc/92/86/34/486928634.db2.gz DTEBMUPCKTYMFA-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CCC(CC)C[N@@H+](C(C)C)C1CCC1 ZINC000678277747 486930585 /nfs/dbraw/zinc/93/05/85/486930585.db2.gz ZGXDOVCPRWVQHF-UHFFFAOYSA-N 1 1 197.366 3.686 20 0 AHADMO CCC(CC)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000678333730 486932525 /nfs/dbraw/zinc/93/25/25/486932525.db2.gz GPWXEOROAWTALB-LLVKDONJSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000678333741 486932482 /nfs/dbraw/zinc/93/24/82/486932482.db2.gz GPWXEOROAWTALB-NSHDSACASA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H](C)C[N@@H+](CC1CC1)C(C)C ZINC000678815966 486946787 /nfs/dbraw/zinc/94/67/87/486946787.db2.gz QZRJGOOUXBKLEF-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@@H+](CC1CC1)C(C)C ZINC000678815967 486947010 /nfs/dbraw/zinc/94/70/10/486947010.db2.gz QZRJGOOUXBKLEF-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H](C)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000678840254 486948044 /nfs/dbraw/zinc/94/80/44/486948044.db2.gz DOIRXCQXCXYAER-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000678840256 486947719 /nfs/dbraw/zinc/94/77/19/486947719.db2.gz DOIRXCQXCXYAER-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000678840417 486948452 /nfs/dbraw/zinc/94/84/52/486948452.db2.gz DOIRXCQXCXYAER-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H](C)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000678840418 486948168 /nfs/dbraw/zinc/94/81/68/486948168.db2.gz DOIRXCQXCXYAER-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCC[N@@H+](C)C1CCC(C)CC1 ZINC000679581525 486965586 /nfs/dbraw/zinc/96/55/86/486965586.db2.gz NMOLWUTVPKDZEQ-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H]1CCCC[N@H+]1CC=C(C)C ZINC000680433951 486985405 /nfs/dbraw/zinc/98/54/05/486985405.db2.gz DPLDCBZPQCHJQW-CYBMUJFWSA-N 1 1 195.350 3.607 20 0 AHADMO CCC[C@H]1CCCC[N@H+]1CC=C(C)C ZINC000680433952 486985541 /nfs/dbraw/zinc/98/55/41/486985541.db2.gz DPLDCBZPQCHJQW-ZDUSSCGKSA-N 1 1 195.350 3.607 20 0 AHADMO CC[N@@H+](CCC1CC1)CCC(C)(C)C ZINC000680636087 486990061 /nfs/dbraw/zinc/99/00/61/486990061.db2.gz NIIFGRDVWGNZCB-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CC/C=C/CC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000681018623 487004887 /nfs/dbraw/zinc/00/48/87/487004887.db2.gz MJDSZILQZCPGFJ-BCPZQOPPSA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C/CC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000681018625 487004413 /nfs/dbraw/zinc/00/44/13/487004413.db2.gz MJDSZILQZCPGFJ-IDVQTMNDSA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C\CC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000681018628 487004839 /nfs/dbraw/zinc/00/48/39/487004839.db2.gz MJDSZILQZCPGFJ-JLVNDZCYSA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C\CC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000681018631 487004802 /nfs/dbraw/zinc/00/48/02/487004802.db2.gz MJDSZILQZCPGFJ-LAUAKBEESA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C\CC[N@@H+](C)C1CCCCC1 ZINC000681018669 487004706 /nfs/dbraw/zinc/00/47/06/487004706.db2.gz MOXCALPYYYLQOT-PLNGDYQASA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C/CC[N@@H+](C)C1CCCCC1 ZINC000681018670 487004425 /nfs/dbraw/zinc/00/44/25/487004425.db2.gz MOXCALPYYYLQOT-SNAWJCMRSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C/CC[N@@H+](CC)C1CCCC1 ZINC000681018960 487004912 /nfs/dbraw/zinc/00/49/12/487004912.db2.gz ILJSEPQWHKNZKP-AATRIKPKSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CC[N@@H+](CC)C1CCCC1 ZINC000681018961 487004183 /nfs/dbraw/zinc/00/41/83/487004183.db2.gz ILJSEPQWHKNZKP-WAYWQWQTSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CC[N@@H+](CC)[C@H](C)C(C)C ZINC000681019830 487004580 /nfs/dbraw/zinc/00/45/80/487004580.db2.gz PBPVVRALEFJJAF-LJTDUEICSA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C/CC[N@@H+](CC)[C@H](C)C(C)C ZINC000681019831 487004935 /nfs/dbraw/zinc/00/49/35/487004935.db2.gz PBPVVRALEFJJAF-MMQHEFTJSA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C/CC[N@@H+](CC)[C@@H](C)C(C)C ZINC000681019832 487004275 /nfs/dbraw/zinc/00/42/75/487004275.db2.gz PBPVVRALEFJJAF-XEHSLEBBSA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C\CC[N@@H+](CC)[C@@H](C)C(C)C ZINC000681019833 487004206 /nfs/dbraw/zinc/00/42/06/487004206.db2.gz PBPVVRALEFJJAF-YXVBKTCISA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C\CC[N@H+](CCCC)C1CC1 ZINC000681020192 487005741 /nfs/dbraw/zinc/00/57/41/487005741.db2.gz WFCCICBVUAMOHW-ALCCZGGFSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C/CC[N@H+](CCCC)C1CC1 ZINC000681020193 487005993 /nfs/dbraw/zinc/00/59/93/487005993.db2.gz WFCCICBVUAMOHW-FNORWQNLSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C/CC[N@@H+](CC(C)C)C(C)C ZINC000681020394 487005821 /nfs/dbraw/zinc/00/58/21/487005821.db2.gz XMNBQOOMROKITM-BQYQJAHWSA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C\CC[N@@H+](CC(C)C)C(C)C ZINC000681020395 487005920 /nfs/dbraw/zinc/00/59/20/487005920.db2.gz XMNBQOOMROKITM-FPLPWBNLSA-N 1 1 197.366 3.709 20 0 AHADMO CC/C=C/CC[N@@H+](C(C)C)C1CCC1 ZINC000681024108 487006818 /nfs/dbraw/zinc/00/68/18/487006818.db2.gz DJJNIQJIWGRBFJ-AATRIKPKSA-N 1 1 195.350 3.606 20 0 AHADMO CC/C=C\CC[N@@H+](C(C)C)C1CCC1 ZINC000681024109 487006946 /nfs/dbraw/zinc/00/69/46/487006946.db2.gz DJJNIQJIWGRBFJ-WAYWQWQTSA-N 1 1 195.350 3.606 20 0 AHADMO C[N@@H+](CCCC(C)(C)C)C1CCCC1 ZINC000682027084 487040577 /nfs/dbraw/zinc/04/05/77/487040577.db2.gz GSRMTIANCWLACO-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO C[C@H](C1CC1)[N@@H+](C)CCCC(C)(C)C ZINC000682027866 487040460 /nfs/dbraw/zinc/04/04/60/487040460.db2.gz UCPONYWNXMPGAP-LLVKDONJSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H](C1CC1)[N@@H+](C)CCCC(C)(C)C ZINC000682027867 487040699 /nfs/dbraw/zinc/04/06/99/487040699.db2.gz UCPONYWNXMPGAP-NSHDSACASA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)[N@@H+](CCCC(C)(C)C)C1CC1 ZINC000682028090 487040238 /nfs/dbraw/zinc/04/02/38/487040238.db2.gz UPQWOZHZQZYXJY-UHFFFAOYSA-N 1 1 197.366 3.686 20 0 AHADMO CC[N@@H+](CCCC(C)(C)C)C1CCC1 ZINC000682028238 487040858 /nfs/dbraw/zinc/04/08/58/487040858.db2.gz ANZQEOAQIINYDM-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[N@@H+](CCCC(C)(C)C)CC1CC1 ZINC000682028574 487040276 /nfs/dbraw/zinc/04/02/76/487040276.db2.gz VPXAGNFXOKVZCM-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO C[N@@H+](CCCC(C)(C)C)CCC1CC1 ZINC000682029158 487040722 /nfs/dbraw/zinc/04/07/22/487040722.db2.gz RHPQJQXRVCGAOI-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CC(C)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000682070695 487043017 /nfs/dbraw/zinc/04/30/17/487043017.db2.gz YSPKHTKVNYQTNS-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000682070696 487042882 /nfs/dbraw/zinc/04/28/82/487042882.db2.gz YSPKHTKVNYQTNS-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@@H+](CC1CC1)C(C)C ZINC000682150599 487046839 /nfs/dbraw/zinc/04/68/39/487046839.db2.gz CMTRPWAMYRNGML-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000682155786 487048619 /nfs/dbraw/zinc/04/86/19/487048619.db2.gz DTBXSCSKHJIBHP-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000682155787 487049214 /nfs/dbraw/zinc/04/92/14/487049214.db2.gz DTBXSCSKHJIBHP-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@@H+](C(C)C)C1CCC1 ZINC000682157324 487050478 /nfs/dbraw/zinc/05/04/78/487050478.db2.gz SDDSZCTXZRNRMO-UHFFFAOYSA-N 1 1 197.366 3.686 20 0 AHADMO CC(C)CC[N@@H+](CC1CCC1)C(C)C ZINC000683527432 487092887 /nfs/dbraw/zinc/09/28/87/487092887.db2.gz CMCWUTFAZKBREK-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](C)C[N@@H+](CC1CCC1)C(C)C ZINC000683527930 487093593 /nfs/dbraw/zinc/09/35/93/487093593.db2.gz RETTVNNKBXQVBO-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](C)C[N@@H+](CC1CCC1)C(C)C ZINC000683527931 487093288 /nfs/dbraw/zinc/09/32/88/487093288.db2.gz RETTVNNKBXQVBO-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H]([N@@H+](C)CC1(C)CCC1)C(C)(C)C ZINC000683696425 487095186 /nfs/dbraw/zinc/09/51/86/487095186.db2.gz WGFOFVOOWIEZPY-LLVKDONJSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H]([N@@H+](C)CC1(C)CCC1)C(C)(C)C ZINC000683696426 487094756 /nfs/dbraw/zinc/09/47/56/487094756.db2.gz WGFOFVOOWIEZPY-NSHDSACASA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)C[N@@H+](CC1(C)CCC1)C(C)C ZINC000683696735 487094873 /nfs/dbraw/zinc/09/48/73/487094873.db2.gz JNTNTFJJMTXWPN-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CC[N@@H+](CC1(C)CCC1)[C@H](C)C(C)C ZINC000683697703 487094450 /nfs/dbraw/zinc/09/44/50/487094450.db2.gz OZANIAYXPJHNFV-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC[N@@H+](CC1(C)CCC1)[C@@H](C)C(C)C ZINC000683697704 487094883 /nfs/dbraw/zinc/09/48/83/487094883.db2.gz OZANIAYXPJHNFV-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC/C=C/CC[N@@H+](C)C1(C)CCCC1 ZINC000683804666 487099127 /nfs/dbraw/zinc/09/91/27/487099127.db2.gz BSUWPEOAAXJVEO-AATRIKPKSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CC[N@@H+](C)C1(C)CCCC1 ZINC000683804669 487098862 /nfs/dbraw/zinc/09/88/62/487098862.db2.gz BSUWPEOAAXJVEO-WAYWQWQTSA-N 1 1 195.350 3.607 20 0 AHADMO C[N@@H+](CCC(C)(C)C)C1(C)CCCC1 ZINC000683804879 487099038 /nfs/dbraw/zinc/09/90/38/487099038.db2.gz GBILKDKWTGMLIW-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCC[N@@H+](CC1(C)CC1)C(C)C ZINC000683825698 487098692 /nfs/dbraw/zinc/09/86/92/487098692.db2.gz PYPZLCQTIJRNBW-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[N@@H+](CCC(C)(C)C)CC1CCC1 ZINC000684429243 487122041 /nfs/dbraw/zinc/12/20/41/487122041.db2.gz RRFOBRLAUJLKCS-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CC(C)C[C@@H](C)C[N@@H+](C)C1CCCC1 ZINC000685000243 487139095 /nfs/dbraw/zinc/13/90/95/487139095.db2.gz COCOCWAKQGKLFL-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)C[C@H](C)C[N@@H+](C)C1CCCC1 ZINC000685000245 487138708 /nfs/dbraw/zinc/13/87/08/487138708.db2.gz COCOCWAKQGKLFL-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)C[C@@H](C)C[N@@H+](C(C)C)C1CC1 ZINC000685000395 487139045 /nfs/dbraw/zinc/13/90/45/487139045.db2.gz GNTCQNGXPFRUKM-GFCCVEGCSA-N 1 1 197.366 3.541 20 0 AHADMO CC(C)C[C@H](C)C[N@@H+](C(C)C)C1CC1 ZINC000685000396 487139208 /nfs/dbraw/zinc/13/92/08/487139208.db2.gz GNTCQNGXPFRUKM-LBPRGKRZSA-N 1 1 197.366 3.541 20 0 AHADMO CC[N@@H+](C[C@H](C)CC(C)C)C1CCC1 ZINC000685001387 487138861 /nfs/dbraw/zinc/13/88/61/487138861.db2.gz DFBAEEIDJFYVKN-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC[N@@H+](C[C@@H](C)CC(C)C)C1CCC1 ZINC000685001388 487139056 /nfs/dbraw/zinc/13/90/56/487139056.db2.gz DFBAEEIDJFYVKN-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[C@@H](C)[N@@H+](C)[C@@H]1C=CCCC1 ZINC000685612315 487148551 /nfs/dbraw/zinc/14/85/51/487148551.db2.gz BJVCQWVQCSZJEB-CHWSQXEVSA-N 1 1 195.350 3.606 20 0 AHADMO CCCC[C@@H](C)[N@@H+](C)[C@H]1C=CCCC1 ZINC000685612316 487148524 /nfs/dbraw/zinc/14/85/24/487148524.db2.gz BJVCQWVQCSZJEB-OLZOCXBDSA-N 1 1 195.350 3.606 20 0 AHADMO CCCC[C@H](C)[N@@H+](C)[C@@H]1C=CCCC1 ZINC000685612317 487148735 /nfs/dbraw/zinc/14/87/35/487148735.db2.gz BJVCQWVQCSZJEB-QWHCGFSZSA-N 1 1 195.350 3.606 20 0 AHADMO CCCC[C@H](C)[N@@H+](C)[C@H]1C=CCCC1 ZINC000685612318 487148666 /nfs/dbraw/zinc/14/86/66/487148666.db2.gz BJVCQWVQCSZJEB-STQMWFEESA-N 1 1 195.350 3.606 20 0 AHADMO CCCC[C@@H](C)[N@@H+](C)CC1(C)CCC1 ZINC000685852689 487151330 /nfs/dbraw/zinc/15/13/30/487151330.db2.gz XLZQGDFCUNQLFH-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[C@H](C)[N@@H+](C)CC1(C)CCC1 ZINC000685852690 487151252 /nfs/dbraw/zinc/15/12/52/487151252.db2.gz XLZQGDFCUNQLFH-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](C)C1CCC(CC)CC1 ZINC000728052924 582535845 /nfs/dbraw/zinc/53/58/45/582535845.db2.gz NHXRVRQJOONBHX-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCCC[N@@H+](CC(C)C)C1CC1 ZINC000740874613 582730895 /nfs/dbraw/zinc/73/08/95/582730895.db2.gz USMMCGCQCJVCMC-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCCC[N@@H+](CCCC)C1CC1 ZINC000740874994 582730935 /nfs/dbraw/zinc/73/09/35/582730935.db2.gz WXMBQHAGTQVAHT-UHFFFAOYSA-N 1 1 197.366 3.831 20 0 AHADMO CCCCCC[N@@H+](CC1CC1)C(C)C ZINC000740875000 582730037 /nfs/dbraw/zinc/73/00/37/582730037.db2.gz XIGTVSFNIASUQQ-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCCC[N@@H+](C)CC1CCCC1 ZINC000740875865 582730710 /nfs/dbraw/zinc/73/07/10/582730710.db2.gz IJTSBRLPAPZBBZ-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CCCCCC[N@@H+](C(C)C)C1CCC1 ZINC000740886338 582730359 /nfs/dbraw/zinc/73/03/59/582730359.db2.gz MQXXGDBGYAMDKA-UHFFFAOYSA-N 1 1 197.366 3.830 20 0 AHADMO CCCCCC[N@@H+](CC)[C@H](C)C(C)C ZINC000741053484 582731176 /nfs/dbraw/zinc/73/11/76/582731176.db2.gz JZPFACHQVSZMGX-CYBMUJFWSA-N 1 1 199.382 3.933 20 0 AHADMO CCCCCC[N@@H+](CC)[C@@H](C)C(C)C ZINC000741053485 582731909 /nfs/dbraw/zinc/73/19/09/582731909.db2.gz JZPFACHQVSZMGX-ZDUSSCGKSA-N 1 1 199.382 3.933 20 0 AHADMO CC(C)C[N@@H+](C)C1CCCCCCC1 ZINC000748803262 582753041 /nfs/dbraw/zinc/75/30/41/582753041.db2.gz VFUNWQADWSRSHH-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](C)C1CCCCCCC1 ZINC000748982390 582753314 /nfs/dbraw/zinc/75/33/14/582753314.db2.gz BVIJREYDIOZZML-UHFFFAOYSA-N 1 1 197.366 3.831 20 0 AHADMO CCCCCC[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000752357007 582768875 /nfs/dbraw/zinc/76/88/75/582768875.db2.gz UCCBLNLWCRAMDA-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCCC[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000752357008 582769430 /nfs/dbraw/zinc/76/94/30/582769430.db2.gz UCCBLNLWCRAMDA-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCCC[N@@H+](CCC)CC1CC1 ZINC000755249612 582785874 /nfs/dbraw/zinc/78/58/74/582785874.db2.gz DOFAYYOWZAPIIR-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CCCCCC[N@H+]1CCCC12CCC2 ZINC000769984048 698092017 /nfs/dbraw/zinc/09/20/17/698092017.db2.gz KELACJGMQWKEJG-UHFFFAOYSA-N 1 1 195.350 3.585 20 0 AHADMO CCC[C@@H](C)C[N@@H+](C(C)C)C1CCC1 ZINC000775715041 582863283 /nfs/dbraw/zinc/86/32/83/582863283.db2.gz AWXROQOSLVAWDK-GFCCVEGCSA-N 1 1 197.366 3.686 20 0 AHADMO CCC[C@H](C)C[N@@H+](C(C)C)C1CCC1 ZINC000775715044 582863637 /nfs/dbraw/zinc/86/36/37/582863637.db2.gz AWXROQOSLVAWDK-LBPRGKRZSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H](C)C[N@@H+](CC)C1CCCCC1 ZINC001166997494 760862303 /nfs/dbraw/zinc/86/23/03/760862303.db2.gz SXTXQRKOOHBZFE-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@H](C)C[N@@H+](CC)C1CCCCC1 ZINC001166997495 760863284 /nfs/dbraw/zinc/86/32/84/760863284.db2.gz SXTXQRKOOHBZFE-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@@H]1CCCC[N@H+]1CCCC(C)C ZINC001167157348 760862358 /nfs/dbraw/zinc/86/23/58/760862358.db2.gz JIJPAFTXVGDNDC-CYBMUJFWSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@H]1CCCC[N@H+]1CCCC(C)C ZINC001167157349 760863334 /nfs/dbraw/zinc/86/33/34/760863334.db2.gz JIJPAFTXVGDNDC-ZDUSSCGKSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[N@@H+](CC)C[C@H](C)CC(C)(C)C ZINC001167237345 760863690 /nfs/dbraw/zinc/86/36/90/760863690.db2.gz AWTSHLFUNJDGLJ-GFCCVEGCSA-N 1 1 199.382 3.791 20 0 AHADMO CCC[N@@H+](CC)C[C@@H](C)CC(C)(C)C ZINC001167237346 760863201 /nfs/dbraw/zinc/86/32/01/760863201.db2.gz AWTSHLFUNJDGLJ-LBPRGKRZSA-N 1 1 199.382 3.791 20 0 AHADMO CCCC[C@@H](CC)C[N@@H+](CC)CCC ZINC001167237616 760863577 /nfs/dbraw/zinc/86/35/77/760863577.db2.gz MMHOFZATXPODBJ-CYBMUJFWSA-N 1 1 199.382 3.935 20 0 AHADMO CCCC[C@H](CC)C[N@@H+](CC)CCC ZINC001167237617 760863056 /nfs/dbraw/zinc/86/30/56/760863056.db2.gz MMHOFZATXPODBJ-ZDUSSCGKSA-N 1 1 199.382 3.935 20 0 AHADMO CCCC[C@@H](CC)C[N@@H+](C)CC(C)C ZINC001167237709 760862880 /nfs/dbraw/zinc/86/28/80/760862880.db2.gz PPFFQFUURGMDEH-CYBMUJFWSA-N 1 1 199.382 3.791 20 0 AHADMO CCCC[C@H](CC)C[N@@H+](C)CC(C)C ZINC001167237710 760863023 /nfs/dbraw/zinc/86/30/23/760863023.db2.gz PPFFQFUURGMDEH-ZDUSSCGKSA-N 1 1 199.382 3.791 20 0 AHADMO CC(C)C[N@@H+](C)CCCC1CCCC1 ZINC001167237826 760863720 /nfs/dbraw/zinc/86/37/20/760863720.db2.gz VQWWKTBGBVICGP-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[N@@H+](CCCC1CC1)CC(C)C ZINC001167256138 760863744 /nfs/dbraw/zinc/86/37/44/760863744.db2.gz TWDOOTXOWDTVLT-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@@H](C)[N@H+]1CCC[C@@H](CC)CC1 ZINC001167378013 760864140 /nfs/dbraw/zinc/86/41/40/760864140.db2.gz YMDYMPCDTMIYNE-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H](C)[N@H+]1CCC[C@H](CC)CC1 ZINC001167378014 760864365 /nfs/dbraw/zinc/86/43/65/760864365.db2.gz YMDYMPCDTMIYNE-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H](C)[N@H+]1CCC[C@@H](CC)CC1 ZINC001167378015 760864935 /nfs/dbraw/zinc/86/49/35/760864935.db2.gz YMDYMPCDTMIYNE-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H](C)[N@H+]1CCC[C@H](CC)CC1 ZINC001167378016 760865403 /nfs/dbraw/zinc/86/54/03/760865403.db2.gz YMDYMPCDTMIYNE-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@@H](C)[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC001167425720 760864953 /nfs/dbraw/zinc/86/49/53/760864953.db2.gz SMXBXLKSTGRKBV-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](C)[N@H+]1CCC[C@H](C(C)C)CC1 ZINC001167425722 760864832 /nfs/dbraw/zinc/86/48/32/760864832.db2.gz SMXBXLKSTGRKBV-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](C)[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC001167425724 760865881 /nfs/dbraw/zinc/86/58/81/760865881.db2.gz SMXBXLKSTGRKBV-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](C)[N@H+]1CCC[C@H](C(C)C)CC1 ZINC001167425727 760865336 /nfs/dbraw/zinc/86/53/36/760865336.db2.gz SMXBXLKSTGRKBV-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](C)C[N@@H+](CC)CCC=C(C)C ZINC001167563709 760865165 /nfs/dbraw/zinc/86/51/65/760865165.db2.gz YDFNYTSYGQVKMU-CYBMUJFWSA-N 1 1 197.366 3.711 20 0 AHADMO CC[C@H](C)C[N@@H+](CC)CCC=C(C)C ZINC001167563710 760865310 /nfs/dbraw/zinc/86/53/10/760865310.db2.gz YDFNYTSYGQVKMU-ZDUSSCGKSA-N 1 1 197.366 3.711 20 0 AHADMO CC(C)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC001167659755 760867639 /nfs/dbraw/zinc/86/76/39/760867639.db2.gz VVGQVJLGUNCRQB-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001167662855 760866170 /nfs/dbraw/zinc/86/61/70/760866170.db2.gz CRUDGXNZELJAIY-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001167662857 760867529 /nfs/dbraw/zinc/86/75/29/760867529.db2.gz CRUDGXNZELJAIY-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[N@H+]1CCC[C@@H](C)[C@H]1CCC ZINC001167798063 760869001 /nfs/dbraw/zinc/86/90/01/760869001.db2.gz KHGFPUCNJBIQKY-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCC ZINC001167798064 760868979 /nfs/dbraw/zinc/86/89/79/760868979.db2.gz KHGFPUCNJBIQKY-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@H+]1CCC[C@H](C)[C@H]1CCC ZINC001167798065 760868204 /nfs/dbraw/zinc/86/82/04/760868204.db2.gz KHGFPUCNJBIQKY-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@H+]1CCC[C@H](C)[C@@H]1CCC ZINC001167798066 760868604 /nfs/dbraw/zinc/86/86/04/760868604.db2.gz KHGFPUCNJBIQKY-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(C)C ZINC001167799187 760868798 /nfs/dbraw/zinc/86/87/98/760868798.db2.gz UYPDZHBMVUDEQL-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H]1[C@H](C)CCC[N@H+]1CC(C)C ZINC001167799188 760868358 /nfs/dbraw/zinc/86/83/58/760868358.db2.gz UYPDZHBMVUDEQL-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(C)C ZINC001167799189 760869627 /nfs/dbraw/zinc/86/96/27/760869627.db2.gz UYPDZHBMVUDEQL-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(C)C ZINC001167799190 760869582 /nfs/dbraw/zinc/86/95/82/760869582.db2.gz UYPDZHBMVUDEQL-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@H+]1CCC[C@@H]1CCC(C)C ZINC001168111479 760893408 /nfs/dbraw/zinc/89/34/08/760893408.db2.gz FBARHCRSXOGDIT-CYBMUJFWSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@H+]1CCC[C@H]1CCC(C)C ZINC001168111480 760893159 /nfs/dbraw/zinc/89/31/59/760893159.db2.gz FBARHCRSXOGDIT-ZDUSSCGKSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@]1(C)CC[N@@H+](CCC(C)(C)C)C1 ZINC001168163451 760898046 /nfs/dbraw/zinc/89/80/46/760898046.db2.gz MZOYFZSHACOXDT-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@@]1(C)CC[N@@H+](CCC(C)(C)C)C1 ZINC001168163453 760897197 /nfs/dbraw/zinc/89/71/97/760897197.db2.gz MZOYFZSHACOXDT-ZDUSSCGKSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[N@@H+](CC)C1CCC(C)CC1 ZINC001168209042 760897526 /nfs/dbraw/zinc/89/75/26/760897526.db2.gz JQDCOVLHACNZEB-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC1CCC([N@@H+](C)CC(C)(C)C)CC1 ZINC001168216648 760896889 /nfs/dbraw/zinc/89/68/89/760896889.db2.gz AUBOGUUEVXHMOO-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)[N@@H+](C)C1CCC(C)CC1 ZINC001168219102 760898239 /nfs/dbraw/zinc/89/82/39/760898239.db2.gz DQPJVUYCPXAYTD-UHFFFAOYSA-N 1 1 197.366 3.686 20 0 AHADMO CCC[C@H](C)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001169092574 760957120 /nfs/dbraw/zinc/95/71/20/760957120.db2.gz VBLAGQUICKZZIY-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H](C)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001169092575 760939663 /nfs/dbraw/zinc/93/96/63/760939663.db2.gz VBLAGQUICKZZIY-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001169092576 760946429 /nfs/dbraw/zinc/94/64/29/760946429.db2.gz VBLAGQUICKZZIY-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H](C)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001169092577 760963943 /nfs/dbraw/zinc/96/39/43/760963943.db2.gz VBLAGQUICKZZIY-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)C[C@@H](C)[N@H+]1CCCC(C)(C)C1 ZINC001169301053 760948250 /nfs/dbraw/zinc/94/82/50/760948250.db2.gz RKAQUWWVDCZEEL-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)C[C@H](C)[N@H+]1CCCC(C)(C)C1 ZINC001169301054 760947832 /nfs/dbraw/zinc/94/78/32/760947832.db2.gz RKAQUWWVDCZEEL-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)(C)CC[N@H+]1CCCC(C)(C)C1 ZINC001169301473 760943377 /nfs/dbraw/zinc/94/33/77/760943377.db2.gz UGGCTVKCRREWLG-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H](C)[C@H](C)[N@H+]1CCCC[C@@H](C)C1 ZINC001169395326 760970151 /nfs/dbraw/zinc/97/01/51/760970151.db2.gz GZKCYRIXSBADES-AGIUHOORSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](C)[C@H](C)[N@H+]1CCCC[C@H](C)C1 ZINC001169395327 760981912 /nfs/dbraw/zinc/98/19/12/760981912.db2.gz GZKCYRIXSBADES-AVGNSLFASA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](C)[C@@H](C)[N@H+]1CCCC[C@@H](C)C1 ZINC001169395328 760969767 /nfs/dbraw/zinc/96/97/67/760969767.db2.gz GZKCYRIXSBADES-FRRDWIJNSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](C)[C@@H](C)[N@H+]1CCCC[C@H](C)C1 ZINC001169395329 760974725 /nfs/dbraw/zinc/97/47/25/760974725.db2.gz GZKCYRIXSBADES-RWMBFGLXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CCCCC[C@H]1C ZINC001169463377 760978882 /nfs/dbraw/zinc/97/88/82/760978882.db2.gz VELYXAIUFUNWMS-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(CC)C[N@H+]1CCCCC[C@@H]1C ZINC001169463379 760977002 /nfs/dbraw/zinc/97/70/02/760977002.db2.gz VELYXAIUFUNWMS-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CC[N@@H+]([C@H](C)CCCC(C)C)C1CC1 ZINC001170072704 761000564 /nfs/dbraw/zinc/00/05/64/761000564.db2.gz CHDPEWXGVRCIDH-GFCCVEGCSA-N 1 1 197.366 3.686 20 0 AHADMO CC[N@@H+]([C@@H](C)CCCC(C)C)C1CC1 ZINC001170072705 761003224 /nfs/dbraw/zinc/00/32/24/761003224.db2.gz CHDPEWXGVRCIDH-LBPRGKRZSA-N 1 1 197.366 3.686 20 0 AHADMO CC(C)CCC[C@@H](C)[N@@H+](C)C(C)C ZINC001170072719 760996452 /nfs/dbraw/zinc/99/64/52/760996452.db2.gz CQIHFSTVEIGQMA-GFCCVEGCSA-N 1 1 185.355 3.541 20 0 AHADMO CC(C)CCC[C@H](C)[N@@H+](C)C(C)C ZINC001170072722 760998850 /nfs/dbraw/zinc/99/88/50/760998850.db2.gz CQIHFSTVEIGQMA-LBPRGKRZSA-N 1 1 185.355 3.541 20 0 AHADMO CCC[N@@H+](CC)[C@H](C)CCCC(C)C ZINC001170072913 761003628 /nfs/dbraw/zinc/00/36/28/761003628.db2.gz FNROTHUGHZVXTO-CYBMUJFWSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[N@@H+](CC)[C@@H](C)CCCC(C)C ZINC001170072914 761003359 /nfs/dbraw/zinc/00/33/59/761003359.db2.gz FNROTHUGHZVXTO-ZDUSSCGKSA-N 1 1 199.382 3.933 20 0 AHADMO CC(C)CCC[C@@H](C)[N@@H+](C)CC(C)C ZINC001170073393 761004365 /nfs/dbraw/zinc/00/43/65/761004365.db2.gz JVOLCPFNNGXZQW-CYBMUJFWSA-N 1 1 199.382 3.789 20 0 AHADMO CC(C)CCC[C@H](C)[N@@H+](C)CC(C)C ZINC001170073394 761002886 /nfs/dbraw/zinc/00/28/86/761002886.db2.gz JVOLCPFNNGXZQW-ZDUSSCGKSA-N 1 1 199.382 3.789 20 0 AHADMO CC(C)CCC[C@@H](C)[N@@H+](C)CC1CC1 ZINC001170073715 761002070 /nfs/dbraw/zinc/00/20/70/761002070.db2.gz MIZKPERWRCJVNB-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[C@H](C)[N@@H+](C)CC1CC1 ZINC001170073716 761003297 /nfs/dbraw/zinc/00/32/97/761003297.db2.gz MIZKPERWRCJVNB-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[C@@H](C)[N@H+]1CCC[C@H]1C ZINC001170073805 760997206 /nfs/dbraw/zinc/99/72/06/760997206.db2.gz NUNVBADRCMLAAH-CHWSQXEVSA-N 1 1 197.366 3.686 20 0 AHADMO CC(C)CCC[C@@H](C)[N@H+]1CCC[C@@H]1C ZINC001170073807 761003894 /nfs/dbraw/zinc/00/38/94/761003894.db2.gz NUNVBADRCMLAAH-OLZOCXBDSA-N 1 1 197.366 3.686 20 0 AHADMO CC(C)CCC[C@H](C)[N@H+]1CCC[C@H]1C ZINC001170073808 760997342 /nfs/dbraw/zinc/99/73/42/760997342.db2.gz NUNVBADRCMLAAH-QWHCGFSZSA-N 1 1 197.366 3.686 20 0 AHADMO CC(C)CCC[C@H](C)[N@H+]1CCC[C@@H]1C ZINC001170073810 761001263 /nfs/dbraw/zinc/00/12/63/761001263.db2.gz NUNVBADRCMLAAH-STQMWFEESA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[N@@H+](C)[C@H](C)CCCC(C)C ZINC001170074468 761001580 /nfs/dbraw/zinc/00/15/80/761001580.db2.gz TZXZUVWCPJVWMT-CYBMUJFWSA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[N@@H+](C)[C@@H](C)CCCC(C)C ZINC001170074469 760998604 /nfs/dbraw/zinc/99/86/04/760998604.db2.gz TZXZUVWCPJVWMT-ZDUSSCGKSA-N 1 1 199.382 3.933 20 0 AHADMO CC[N@@H+](C(C)C)[C@H](C)CCCC(C)C ZINC001170075008 760996104 /nfs/dbraw/zinc/99/61/04/760996104.db2.gz YZNDNKHIABPREH-CYBMUJFWSA-N 1 1 199.382 3.932 20 0 AHADMO CC[N@@H+](C(C)C)[C@@H](C)CCCC(C)C ZINC001170075009 761002538 /nfs/dbraw/zinc/00/25/38/761002538.db2.gz YZNDNKHIABPREH-ZDUSSCGKSA-N 1 1 199.382 3.932 20 0 AHADMO CC[C@@H](C)[N@@H+](C)[C@H](C)CCCC(C)C ZINC001170078405 760998928 /nfs/dbraw/zinc/99/89/28/760998928.db2.gz RGECCFPKXVTAAM-CHWSQXEVSA-N 1 1 199.382 3.932 20 0 AHADMO CC[C@@H](C)[N@@H+](C)[C@@H](C)CCCC(C)C ZINC001170078406 760996043 /nfs/dbraw/zinc/99/60/43/760996043.db2.gz RGECCFPKXVTAAM-OLZOCXBDSA-N 1 1 199.382 3.932 20 0 AHADMO CC[C@H](C)[N@@H+](C)[C@H](C)CCCC(C)C ZINC001170078407 761002598 /nfs/dbraw/zinc/00/25/98/761002598.db2.gz RGECCFPKXVTAAM-QWHCGFSZSA-N 1 1 199.382 3.932 20 0 AHADMO CC[C@H](C)[N@@H+](C)[C@@H](C)CCCC(C)C ZINC001170078408 761001202 /nfs/dbraw/zinc/00/12/02/761001202.db2.gz RGECCFPKXVTAAM-STQMWFEESA-N 1 1 199.382 3.932 20 0 AHADMO CC(C)CCC[C@@H](C)[N@H+]1CC[C@@H](C)C1 ZINC001170078786 761000127 /nfs/dbraw/zinc/00/01/27/761000127.db2.gz UQJPPHKXAGGIKV-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[C@H](C)[N@H+]1CC[C@@H](C)C1 ZINC001170078787 761003562 /nfs/dbraw/zinc/00/35/62/761003562.db2.gz UQJPPHKXAGGIKV-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[C@@H](C)[N@H+]1CC[C@H](C)C1 ZINC001170078788 760997821 /nfs/dbraw/zinc/99/78/21/760997821.db2.gz UQJPPHKXAGGIKV-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[C@H](C)[N@H+]1CC[C@H](C)C1 ZINC001170078789 761002030 /nfs/dbraw/zinc/00/20/30/761002030.db2.gz UQJPPHKXAGGIKV-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[C@@H](C)[N@@H+](C)C(C)(C)C ZINC001170084898 761000452 /nfs/dbraw/zinc/00/04/52/761000452.db2.gz ZWRRXDRIDVVBRF-GFCCVEGCSA-N 1 1 199.382 3.932 20 0 AHADMO CC(C)CCC[C@H](C)[N@@H+](C)C(C)(C)C ZINC001170084900 761003731 /nfs/dbraw/zinc/00/37/31/761003731.db2.gz ZWRRXDRIDVVBRF-LBPRGKRZSA-N 1 1 199.382 3.932 20 0 AHADMO CCC[N@@H+]([C@H](C)CC)[C@@H]1CC[C@@H](C)C1 ZINC001170122883 761020718 /nfs/dbraw/zinc/02/07/18/761020718.db2.gz AOCKANKDMHYUEY-JHJVBQTASA-N 1 1 197.366 3.686 20 0 AHADMO CCC[N@@H+]([C@H](C)CC)[C@H]1CC[C@@H](C)C1 ZINC001170122884 761020365 /nfs/dbraw/zinc/02/03/65/761020365.db2.gz AOCKANKDMHYUEY-UPJWGTAASA-N 1 1 197.366 3.686 20 0 AHADMO CCC[N@@H+]([C@H](C)CC)[C@H]1CC[C@H](C)C1 ZINC001170122885 761017629 /nfs/dbraw/zinc/01/76/29/761017629.db2.gz AOCKANKDMHYUEY-XQQFMLRXSA-N 1 1 197.366 3.686 20 0 AHADMO CCC[N@@H+]([C@H](C)CC)[C@@H]1CC[C@H](C)C1 ZINC001170122886 761019118 /nfs/dbraw/zinc/01/91/18/761019118.db2.gz AOCKANKDMHYUEY-YNEHKIRRSA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[N@@H+](CCC)[C@@H]1CC[C@@H](C)C1 ZINC001170143965 761030748 /nfs/dbraw/zinc/03/07/48/761030748.db2.gz AXVSIPBIZUGZGZ-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CCC)[C@H]1CC[C@@H](C)C1 ZINC001170143966 761028696 /nfs/dbraw/zinc/02/86/96/761028696.db2.gz AXVSIPBIZUGZGZ-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CCC)[C@@H]1CC[C@H](C)C1 ZINC001170143967 761023790 /nfs/dbraw/zinc/02/37/90/761023790.db2.gz AXVSIPBIZUGZGZ-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CCC)[C@H]1CC[C@H](C)C1 ZINC001170143968 761029319 /nfs/dbraw/zinc/02/93/19/761029319.db2.gz AXVSIPBIZUGZGZ-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CCC(CC)[N@@H+](CC)[C@H]1CC[C@H](C)C1 ZINC001170148322 761029872 /nfs/dbraw/zinc/02/98/72/761029872.db2.gz GZJDAMZVLUQTCQ-AAEUAGOBSA-N 1 1 197.366 3.686 20 0 AHADMO CCC(CC)[N@@H+](CC)[C@@H]1CC[C@@H](C)C1 ZINC001170148324 761026353 /nfs/dbraw/zinc/02/63/53/761026353.db2.gz GZJDAMZVLUQTCQ-DGCLKSJQSA-N 1 1 197.366 3.686 20 0 AHADMO CCC(CC)[N@@H+](CC)[C@@H]1CC[C@H](C)C1 ZINC001170148325 761030298 /nfs/dbraw/zinc/03/02/98/761030298.db2.gz GZJDAMZVLUQTCQ-WCQYABFASA-N 1 1 197.366 3.686 20 0 AHADMO CCC(CC)[N@@H+](CC)[C@H]1CC[C@@H](C)C1 ZINC001170148327 761024675 /nfs/dbraw/zinc/02/46/75/761024675.db2.gz GZJDAMZVLUQTCQ-YPMHNXCESA-N 1 1 197.366 3.686 20 0 AHADMO CCC[N@@H+](CC(C)C)[C@@H]1CC[C@@H](C)C1 ZINC001170156479 761033842 /nfs/dbraw/zinc/03/38/42/761033842.db2.gz GEFQBOBUYGQQKL-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](CC(C)C)[C@H]1CC[C@@H](C)C1 ZINC001170156480 761032614 /nfs/dbraw/zinc/03/26/14/761032614.db2.gz GEFQBOBUYGQQKL-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](CC(C)C)[C@@H]1CC[C@H](C)C1 ZINC001170156481 761035079 /nfs/dbraw/zinc/03/50/79/761035079.db2.gz GEFQBOBUYGQQKL-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](CC(C)C)[C@H]1CC[C@H](C)C1 ZINC001170156482 761036919 /nfs/dbraw/zinc/03/69/19/761036919.db2.gz GEFQBOBUYGQQKL-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[C@@H](C)[N@@H+](C)CC(CC)CC ZINC001170845437 761072785 /nfs/dbraw/zinc/07/27/85/761072785.db2.gz BLFXYFKQERVOID-GFCCVEGCSA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[C@H](C)[N@@H+](C)CC(CC)CC ZINC001170845438 761067464 /nfs/dbraw/zinc/06/74/64/761067464.db2.gz BLFXYFKQERVOID-LBPRGKRZSA-N 1 1 199.382 3.933 20 0 AHADMO CC/C=C/CC[N@H+](C)[C@H](C)CCCC ZINC001170845876 761067945 /nfs/dbraw/zinc/06/79/45/761067945.db2.gz FYVHJWBSYXIJOG-BUUCAEBMSA-N 1 1 197.366 3.853 20 0 AHADMO CC/C=C\CC[N@H+](C)[C@H](C)CCCC ZINC001170845877 761070204 /nfs/dbraw/zinc/07/02/04/761070204.db2.gz FYVHJWBSYXIJOG-FNOHHLHBSA-N 1 1 197.366 3.853 20 0 AHADMO CC/C=C\CC[N@H+](C)[C@@H](C)CCCC ZINC001170845879 761074248 /nfs/dbraw/zinc/07/42/48/761074248.db2.gz FYVHJWBSYXIJOG-JWJUJFCLSA-N 1 1 197.366 3.853 20 0 AHADMO CC/C=C/CC[N@H+](C)[C@@H](C)CCCC ZINC001170845880 761070733 /nfs/dbraw/zinc/07/07/33/761070733.db2.gz FYVHJWBSYXIJOG-XOVSCCBYSA-N 1 1 197.366 3.853 20 0 AHADMO C=C/C=C/CC[N@H+](C)[C@H](C)CCCC ZINC001170847543 761070599 /nfs/dbraw/zinc/07/05/99/761070599.db2.gz SOBIQPNWVHSONV-BUUCAEBMSA-N 1 1 195.350 3.629 20 0 AHADMO C=C/C=C\CC[N@H+](C)[C@H](C)CCCC ZINC001170847544 761071584 /nfs/dbraw/zinc/07/15/84/761071584.db2.gz SOBIQPNWVHSONV-FNOHHLHBSA-N 1 1 195.350 3.629 20 0 AHADMO C=C/C=C\CC[N@H+](C)[C@@H](C)CCCC ZINC001170847545 761067497 /nfs/dbraw/zinc/06/74/97/761067497.db2.gz SOBIQPNWVHSONV-JWJUJFCLSA-N 1 1 195.350 3.629 20 0 AHADMO C=C/C=C/CC[N@H+](C)[C@@H](C)CCCC ZINC001170847546 761068907 /nfs/dbraw/zinc/06/89/07/761068907.db2.gz SOBIQPNWVHSONV-XOVSCCBYSA-N 1 1 195.350 3.629 20 0 AHADMO CC[N@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC001171058144 761082685 /nfs/dbraw/zinc/08/26/85/761082685.db2.gz PGEXWROUXSUYEW-LLVKDONJSA-N 1 1 197.366 3.543 20 0 AHADMO CC[N@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC001171058145 761081027 /nfs/dbraw/zinc/08/10/27/761081027.db2.gz PGEXWROUXSUYEW-NSHDSACASA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H]1CCCC[C@H]1C[N@@H+](C)C(C)(C)C ZINC001171480071 761087139 /nfs/dbraw/zinc/08/71/39/761087139.db2.gz OOCYRCCZZQARIQ-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H]1CCCC[C@@H]1C[N@@H+](C)C(C)(C)C ZINC001171480072 761086410 /nfs/dbraw/zinc/08/64/10/761086410.db2.gz OOCYRCCZZQARIQ-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H]1CCCC[C@H]1C[N@@H+](C)C(C)(C)C ZINC001171480073 761083546 /nfs/dbraw/zinc/08/35/46/761083546.db2.gz OOCYRCCZZQARIQ-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C(C)(C)C ZINC001171480074 761084298 /nfs/dbraw/zinc/08/42/98/761084298.db2.gz OOCYRCCZZQARIQ-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCCC[N@@H+](C)CCC(C)(C)C ZINC001171523788 761085604 /nfs/dbraw/zinc/08/56/04/761085604.db2.gz QQYQRUYZGDLRPB-UHFFFAOYSA-N 1 1 199.382 3.935 20 0 AHADMO CCC[N@@H+](CC)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172364381 761117568 /nfs/dbraw/zinc/11/75/68/761117568.db2.gz BHEBVPOTOWKJOV-FRRDWIJNSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](CC)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172364382 761114155 /nfs/dbraw/zinc/11/41/55/761114155.db2.gz BHEBVPOTOWKJOV-JHJVBQTASA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](CC)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172364383 761119630 /nfs/dbraw/zinc/11/96/30/761119630.db2.gz BHEBVPOTOWKJOV-RWMBFGLXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](CC)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172364384 761120763 /nfs/dbraw/zinc/12/07/63/761120763.db2.gz BHEBVPOTOWKJOV-YNEHKIRRSA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@@H+](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172364567 761113124 /nfs/dbraw/zinc/11/31/24/761113124.db2.gz CXIVKHRNJFQGNZ-FRRDWIJNSA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@@H+](C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172364568 761122771 /nfs/dbraw/zinc/12/27/71/761122771.db2.gz CXIVKHRNJFQGNZ-JHJVBQTASA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@@H+](C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172364569 761117996 /nfs/dbraw/zinc/11/79/96/761117996.db2.gz CXIVKHRNJFQGNZ-RWMBFGLXSA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@@H+](C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172364570 761118639 /nfs/dbraw/zinc/11/86/39/761118639.db2.gz CXIVKHRNJFQGNZ-YNEHKIRRSA-N 1 1 197.366 3.543 20 0 AHADMO CC[N@@H+](C(C)C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172365989 761119855 /nfs/dbraw/zinc/11/98/55/761119855.db2.gz MLDFSWZCLMLJPW-FRRDWIJNSA-N 1 1 197.366 3.541 20 0 AHADMO CC[N@@H+](C(C)C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172365991 761115559 /nfs/dbraw/zinc/11/55/59/761115559.db2.gz MLDFSWZCLMLJPW-JHJVBQTASA-N 1 1 197.366 3.541 20 0 AHADMO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172365993 761122194 /nfs/dbraw/zinc/12/21/94/761122194.db2.gz MLDFSWZCLMLJPW-RWMBFGLXSA-N 1 1 197.366 3.541 20 0 AHADMO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172365995 761115868 /nfs/dbraw/zinc/11/58/68/761115868.db2.gz MLDFSWZCLMLJPW-YNEHKIRRSA-N 1 1 197.366 3.541 20 0 AHADMO C[C@@H]1CC[C@@H]([N@@H+](C)C(C)(C)C)C[C@@H]1C ZINC001172371848 761134068 /nfs/dbraw/zinc/13/40/68/761134068.db2.gz ASRPNKLWKIGHBC-GRYCIOLGSA-N 1 1 197.366 3.541 20 0 AHADMO C[C@@H]1CC[C@@H]([N@@H+](C)C(C)(C)C)C[C@H]1C ZINC001172371849 761127390 /nfs/dbraw/zinc/12/73/90/761127390.db2.gz ASRPNKLWKIGHBC-IJLUTSLNSA-N 1 1 197.366 3.541 20 0 AHADMO C[C@@H]1CC[C@H]([N@@H+](C)C(C)(C)C)C[C@H]1C ZINC001172371850 761128412 /nfs/dbraw/zinc/12/84/12/761128412.db2.gz ASRPNKLWKIGHBC-UTUOFQBUSA-N 1 1 197.366 3.541 20 0 AHADMO C[C@@H]1CC[C@H]([N@@H+](C)C(C)(C)C)C[C@@H]1C ZINC001172371851 761133482 /nfs/dbraw/zinc/13/34/82/761133482.db2.gz ASRPNKLWKIGHBC-WOPDTQHZSA-N 1 1 197.366 3.541 20 0 AHADMO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172372467 761125860 /nfs/dbraw/zinc/12/58/60/761125860.db2.gz IMTJKDXXQYSMTA-FVCCEPFGSA-N 1 1 197.366 3.541 20 0 AHADMO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172372469 761128734 /nfs/dbraw/zinc/12/87/34/761128734.db2.gz IMTJKDXXQYSMTA-MROQNXINSA-N 1 1 197.366 3.541 20 0 AHADMO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172372470 761127901 /nfs/dbraw/zinc/12/79/01/761127901.db2.gz IMTJKDXXQYSMTA-QNWHQSFQSA-N 1 1 197.366 3.541 20 0 AHADMO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172372472 761132335 /nfs/dbraw/zinc/13/23/35/761132335.db2.gz IMTJKDXXQYSMTA-ZDEQEGDKSA-N 1 1 197.366 3.541 20 0 AHADMO CC[C@@H](C)[N@@H+](C)[C@@H](CC)CC(C)C ZINC001172395644 761142958 /nfs/dbraw/zinc/14/29/58/761142958.db2.gz HLAYBXHJOHWQKX-NEPJUHHUSA-N 1 1 185.355 3.541 20 0 AHADMO CC[C@H](CC(C)C)[N@H+](C)[C@@H](C)CC ZINC001172395645 761139574 /nfs/dbraw/zinc/13/95/74/761139574.db2.gz HLAYBXHJOHWQKX-NWDGAFQWSA-N 1 1 185.355 3.541 20 0 AHADMO CC[C@H](C)[N@@H+](C)[C@@H](CC)CC(C)C ZINC001172395646 761137250 /nfs/dbraw/zinc/13/72/50/761137250.db2.gz HLAYBXHJOHWQKX-RYUDHWBXSA-N 1 1 185.355 3.541 20 0 AHADMO CC[C@@H](C)[N@@H+](C)[C@H](CC)CC(C)C ZINC001172395648 761138774 /nfs/dbraw/zinc/13/87/74/761138774.db2.gz HLAYBXHJOHWQKX-VXGBXAGGSA-N 1 1 185.355 3.541 20 0 AHADMO CC[C@@H](CC(C)C)[N@@H+](C)C1CC(C)C1 ZINC001172395680 761139720 /nfs/dbraw/zinc/13/97/20/761139720.db2.gz HQYZEIFHKVDPJQ-CPCZMJQVSA-N 1 1 197.366 3.541 20 0 AHADMO CC[C@H](CC(C)C)[N@@H+](C)C1CC(C)C1 ZINC001172395681 761142415 /nfs/dbraw/zinc/14/24/15/761142415.db2.gz HQYZEIFHKVDPJQ-OTTFEQOBSA-N 1 1 197.366 3.541 20 0 AHADMO CC[C@H](CC(C)C)[N@H+]1CCCC1(C)C ZINC001172395894 761142032 /nfs/dbraw/zinc/14/20/32/761142032.db2.gz JBFHNNNAUUKREA-GFCCVEGCSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H](CC(C)C)[N@H+]1CCCC1(C)C ZINC001172395895 761135507 /nfs/dbraw/zinc/13/55/07/761135507.db2.gz JBFHNNNAUUKREA-LBPRGKRZSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@H](CC(C)C)[N@@H+](CC)C(C)C ZINC001172397954 761151053 /nfs/dbraw/zinc/15/10/53/761151053.db2.gz CPYQDHLEJZEVSA-GFCCVEGCSA-N 1 1 185.355 3.541 20 0 AHADMO CC[C@@H](CC(C)C)[N@@H+](CC)C(C)C ZINC001172397955 761147160 /nfs/dbraw/zinc/14/71/60/761147160.db2.gz CPYQDHLEJZEVSA-LBPRGKRZSA-N 1 1 185.355 3.541 20 0 AHADMO CC[C@H](CC(C)C)[N@@H+](C)CCC1CC1 ZINC001172399271 761149091 /nfs/dbraw/zinc/14/90/91/761149091.db2.gz AWASJOMGKWKSQU-CYBMUJFWSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](CC(C)C)[N@@H+](C)CCC1CC1 ZINC001172399272 761145644 /nfs/dbraw/zinc/14/56/44/761145644.db2.gz AWASJOMGKWKSQU-ZDUSSCGKSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](CC)[C@H](CC)CC(C)C ZINC001172399917 761151973 /nfs/dbraw/zinc/15/19/73/761151973.db2.gz IGUPVIITUXNOBE-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[N@@H+](CC)[C@@H](CC)CC(C)C ZINC001172399918 761148977 /nfs/dbraw/zinc/14/89/77/761148977.db2.gz IGUPVIITUXNOBE-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CC[C@H](CC(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001172400526 761147063 /nfs/dbraw/zinc/14/70/63/761147063.db2.gz KYVQQFAHHQQUBP-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](CC(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001172400529 761154495 /nfs/dbraw/zinc/15/44/95/761154495.db2.gz KYVQQFAHHQQUBP-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](CC(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001172400532 761144934 /nfs/dbraw/zinc/14/49/34/761144934.db2.gz KYVQQFAHHQQUBP-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](CC(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001172400534 761151507 /nfs/dbraw/zinc/15/15/07/761151507.db2.gz KYVQQFAHHQQUBP-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@@H+](C)[C@H](CC)CC(C)C ZINC001172401771 761154315 /nfs/dbraw/zinc/15/43/15/761154315.db2.gz NZJXYFGWTSNBMC-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[N@@H+](C)[C@@H](CC)CC(C)C ZINC001172401772 761152382 /nfs/dbraw/zinc/15/23/82/761152382.db2.gz NZJXYFGWTSNBMC-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CCCCC[N@@H+](C)[C@H](CC)CC(C)C ZINC001172402247 761148941 /nfs/dbraw/zinc/14/89/41/761148941.db2.gz QDLVLKDBBAXVGA-CYBMUJFWSA-N 1 1 199.382 3.933 20 0 AHADMO CCCCC[N@@H+](C)[C@@H](CC)CC(C)C ZINC001172402248 761152040 /nfs/dbraw/zinc/15/20/40/761152040.db2.gz QDLVLKDBBAXVGA-ZDUSSCGKSA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[N@@H+](CC)[C@H](CC)CC(C)C ZINC001172402323 761148027 /nfs/dbraw/zinc/14/80/27/761148027.db2.gz ROKCDQFROVDOEW-CYBMUJFWSA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[N@@H+](CC)[C@@H](CC)CC(C)C ZINC001172402325 761152854 /nfs/dbraw/zinc/15/28/54/761152854.db2.gz ROKCDQFROVDOEW-ZDUSSCGKSA-N 1 1 199.382 3.933 20 0 AHADMO CC[C@H](CC(C)C)[N@H+]1CCCC[C@H]1C ZINC001172402875 761150227 /nfs/dbraw/zinc/15/02/27/761150227.db2.gz WSZQQQUCWHYMOQ-CHWSQXEVSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H](CC(C)C)[N@H+]1CCCC[C@H]1C ZINC001172402876 761146961 /nfs/dbraw/zinc/14/69/61/761146961.db2.gz WSZQQQUCWHYMOQ-OLZOCXBDSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@H](CC(C)C)[N@H+]1CCCC[C@@H]1C ZINC001172402877 761150592 /nfs/dbraw/zinc/15/05/92/761150592.db2.gz WSZQQQUCWHYMOQ-QWHCGFSZSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H](CC(C)C)[N@H+]1CCCC[C@@H]1C ZINC001172402878 761147652 /nfs/dbraw/zinc/14/76/52/761147652.db2.gz WSZQQQUCWHYMOQ-STQMWFEESA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@H](CC(C)C)[N@H+]1CCC[C@H]1CC ZINC001172403961 761149824 /nfs/dbraw/zinc/14/98/24/761149824.db2.gz QJXKKDSYPDFRCY-CHWSQXEVSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H](CC(C)C)[N@H+]1CCC[C@H]1CC ZINC001172403962 761146737 /nfs/dbraw/zinc/14/67/37/761146737.db2.gz QJXKKDSYPDFRCY-OLZOCXBDSA-N 1 1 197.366 3.686 20 0 AHADMO CCC(CC)[N@@H+](C)[C@H](CC)CC(C)C ZINC001172404545 761149068 /nfs/dbraw/zinc/14/90/68/761149068.db2.gz ZVKITWQUBQLMEQ-CYBMUJFWSA-N 1 1 199.382 3.932 20 0 AHADMO CCC(CC)[N@@H+](C)[C@@H](CC)CC(C)C ZINC001172404546 761145677 /nfs/dbraw/zinc/14/56/77/761145677.db2.gz ZVKITWQUBQLMEQ-ZDUSSCGKSA-N 1 1 199.382 3.932 20 0 AHADMO CC[C@H](CC(C)C)[N@H+]1CC[C@@H](CC)C1 ZINC001172405488 761151856 /nfs/dbraw/zinc/15/18/56/761151856.db2.gz YHXTUFGUBQPAHW-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](CC(C)C)[N@H+]1CC[C@@H](CC)C1 ZINC001172405489 761145285 /nfs/dbraw/zinc/14/52/85/761145285.db2.gz YHXTUFGUBQPAHW-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](CC(C)C)[N@H+]1CCC(C)(C)C1 ZINC001172405861 761144358 /nfs/dbraw/zinc/14/43/58/761144358.db2.gz DEMKJMGLORNVNJ-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](CC(C)C)[N@H+]1CCC(C)(C)C1 ZINC001172405862 761147880 /nfs/dbraw/zinc/14/78/80/761147880.db2.gz DEMKJMGLORNVNJ-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](CC(C)C)[N@@H+](C)CC(C)(C)C ZINC001172406434 761157054 /nfs/dbraw/zinc/15/70/54/761157054.db2.gz HTEACYADVQUALI-GFCCVEGCSA-N 1 1 199.382 3.789 20 0 AHADMO CC[C@@H](CC(C)C)[N@@H+](C)CC(C)(C)C ZINC001172406435 761160671 /nfs/dbraw/zinc/16/06/71/761160671.db2.gz HTEACYADVQUALI-LBPRGKRZSA-N 1 1 199.382 3.789 20 0 AHADMO CC[C@H](CC(C)C)[N@@H+](C)CC1CCC1 ZINC001172407022 761156091 /nfs/dbraw/zinc/15/60/91/761156091.db2.gz MBLZMYAZFICUAV-CYBMUJFWSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](CC(C)C)[N@@H+](C)CC1CCC1 ZINC001172407023 761161004 /nfs/dbraw/zinc/16/10/04/761161004.db2.gz MBLZMYAZFICUAV-ZDUSSCGKSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H](CC(C)C)[N@@H+](C)C1CCCC1 ZINC001172407589 761163216 /nfs/dbraw/zinc/16/32/16/761163216.db2.gz OTGQFSXAHHBZTM-GFCCVEGCSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H](CC(C)C)[N@@H+](C)C1CCCC1 ZINC001172407592 761157560 /nfs/dbraw/zinc/15/75/60/761157560.db2.gz OTGQFSXAHHBZTM-LBPRGKRZSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@H](CC(C)C)[N@H+]1CCC[C@@H]1CC ZINC001172408044 761158074 /nfs/dbraw/zinc/15/80/74/761158074.db2.gz QJXKKDSYPDFRCY-QWHCGFSZSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H](CC(C)C)[N@H+]1CCC[C@@H]1CC ZINC001172408045 761164442 /nfs/dbraw/zinc/16/44/42/761164442.db2.gz QJXKKDSYPDFRCY-STQMWFEESA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@H](CC(C)C)[N@@H+](C)C(C)(C)C ZINC001172408439 761161763 /nfs/dbraw/zinc/16/17/63/761161763.db2.gz UFPXDSXZLXSCCZ-LLVKDONJSA-N 1 1 185.355 3.541 20 0 AHADMO CC[C@@H](CC(C)C)[N@@H+](C)C(C)(C)C ZINC001172408440 761162568 /nfs/dbraw/zinc/16/25/68/761162568.db2.gz UFPXDSXZLXSCCZ-NSHDSACASA-N 1 1 185.355 3.541 20 0 AHADMO CCCC[C@H](CC(C)C)[N@@H+](C)C1CC1 ZINC001173255032 761220686 /nfs/dbraw/zinc/22/06/86/761220686.db2.gz DSOCBWPMGIKRJR-CYBMUJFWSA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[C@@H](CC(C)C)[N@@H+](C)C1CC1 ZINC001173255033 761224469 /nfs/dbraw/zinc/22/44/69/761224469.db2.gz DSOCBWPMGIKRJR-ZDUSSCGKSA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[C@H](CC(C)C)[N@@H+](C)C(C)C ZINC001173255155 761221534 /nfs/dbraw/zinc/22/15/34/761221534.db2.gz GJYNPAADYMUTDE-CYBMUJFWSA-N 1 1 199.382 3.932 20 0 AHADMO CCCC[C@@H](CC(C)C)[N@@H+](C)C(C)C ZINC001173255156 761219279 /nfs/dbraw/zinc/21/92/79/761219279.db2.gz GJYNPAADYMUTDE-ZDUSSCGKSA-N 1 1 199.382 3.932 20 0 AHADMO CCCC[C@H](CC(C)C)[N@@H+](C)CCC ZINC001173255493 761227310 /nfs/dbraw/zinc/22/73/10/761227310.db2.gz IZGPIUHVCAPBCM-CYBMUJFWSA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[C@@H](CC(C)C)[N@@H+](C)CCC ZINC001173255494 761227506 /nfs/dbraw/zinc/22/75/06/761227506.db2.gz IZGPIUHVCAPBCM-ZDUSSCGKSA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[C@H](CC(C)C)[N@@H+](C)CC ZINC001173258079 761227369 /nfs/dbraw/zinc/22/73/69/761227369.db2.gz NWLXGLVWLAJFHS-GFCCVEGCSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[C@@H](CC(C)C)[N@@H+](C)CC ZINC001173258083 761228037 /nfs/dbraw/zinc/22/80/37/761228037.db2.gz NWLXGLVWLAJFHS-LBPRGKRZSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[C@H](CC(C)C)[N@H+]1CC[C@H]1C ZINC001173258440 761224535 /nfs/dbraw/zinc/22/45/35/761224535.db2.gz URNBXJNXRUEWRF-CHWSQXEVSA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[C@@H](CC(C)C)[N@H+]1CC[C@H]1C ZINC001173258441 761220609 /nfs/dbraw/zinc/22/06/09/761220609.db2.gz URNBXJNXRUEWRF-OLZOCXBDSA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]1C ZINC001173258442 761222813 /nfs/dbraw/zinc/22/28/13/761222813.db2.gz URNBXJNXRUEWRF-QWHCGFSZSA-N 1 1 197.366 3.686 20 0 AHADMO CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]1C ZINC001173258443 761227228 /nfs/dbraw/zinc/22/72/28/761227228.db2.gz URNBXJNXRUEWRF-STQMWFEESA-N 1 1 197.366 3.686 20 0 AHADMO CCCCC[N@@H+](C)[C@@H]1CC[C@@H](CC)C1 ZINC001173273637 761242789 /nfs/dbraw/zinc/24/27/89/761242789.db2.gz NUMCZWMLSPYKHV-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCC[N@@H+](C)[C@H]1CC[C@@H](CC)C1 ZINC001173273639 761246889 /nfs/dbraw/zinc/24/68/89/761246889.db2.gz NUMCZWMLSPYKHV-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCC[N@@H+](C)[C@@H]1CC[C@H](CC)C1 ZINC001173273641 761250747 /nfs/dbraw/zinc/25/07/47/761250747.db2.gz NUMCZWMLSPYKHV-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCC[N@@H+](C)[C@H]1CC[C@H](CC)C1 ZINC001173273642 761253926 /nfs/dbraw/zinc/25/39/26/761253926.db2.gz NUMCZWMLSPYKHV-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CC)[C@@H]1CC[C@@H](CC)C1 ZINC001173274570 761254386 /nfs/dbraw/zinc/25/43/86/761254386.db2.gz RWIZEWMNKJUJPI-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CC)[C@H]1CC[C@@H](CC)C1 ZINC001173274571 761245114 /nfs/dbraw/zinc/24/51/14/761245114.db2.gz RWIZEWMNKJUJPI-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CC)[C@@H]1CC[C@H](CC)C1 ZINC001173274572 761241582 /nfs/dbraw/zinc/24/15/82/761241582.db2.gz RWIZEWMNKJUJPI-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CC)[C@H]1CC[C@H](CC)C1 ZINC001173274573 761251100 /nfs/dbraw/zinc/25/11/00/761251100.db2.gz RWIZEWMNKJUJPI-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@@H]1CC[C@H]([N@@H+](C)CC(C)(C)C)C1 ZINC001173288193 761266535 /nfs/dbraw/zinc/26/65/35/761266535.db2.gz MDTWXILOCTUDGZ-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H]1CC[C@@H]([N@@H+](C)CC(C)(C)C)C1 ZINC001173288194 761265354 /nfs/dbraw/zinc/26/53/54/761265354.db2.gz MDTWXILOCTUDGZ-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)C)C1 ZINC001173288197 761263041 /nfs/dbraw/zinc/26/30/41/761263041.db2.gz MDTWXILOCTUDGZ-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H]1CC[C@@H]([N@@H+](C)CC(C)(C)C)C1 ZINC001173288201 761257107 /nfs/dbraw/zinc/25/71/07/761257107.db2.gz MDTWXILOCTUDGZ-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)[N@@H+](C)[C@H]1CC[C@H](CC)C1 ZINC001173292847 761265319 /nfs/dbraw/zinc/26/53/19/761265319.db2.gz INTSMTCYKHCGCR-AAEUAGOBSA-N 1 1 197.366 3.686 20 0 AHADMO CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H](CC)C1 ZINC001173292849 761264323 /nfs/dbraw/zinc/26/43/23/761264323.db2.gz INTSMTCYKHCGCR-DGCLKSJQSA-N 1 1 197.366 3.686 20 0 AHADMO CCC(CC)[N@@H+](C)[C@@H]1CC[C@H](CC)C1 ZINC001173292850 761263458 /nfs/dbraw/zinc/26/34/58/761263458.db2.gz INTSMTCYKHCGCR-WCQYABFASA-N 1 1 197.366 3.686 20 0 AHADMO CCC(CC)[N@@H+](C)[C@H]1CC[C@@H](CC)C1 ZINC001173292851 761256661 /nfs/dbraw/zinc/25/66/61/761256661.db2.gz INTSMTCYKHCGCR-YPMHNXCESA-N 1 1 197.366 3.686 20 0 AHADMO CC(C)=CNc1cccc2cc[nH+]cc21 ZINC001174555424 761343681 /nfs/dbraw/zinc/34/36/81/761343681.db2.gz JAOPDGCWKULTGZ-UHFFFAOYSA-N 1 1 198.269 3.570 20 0 AHADMO CC(C)=CNc1ccc2c[nH+]ccc2c1 ZINC001174558168 761347853 /nfs/dbraw/zinc/34/78/53/761347853.db2.gz VPAWZTBUKVGSDK-UHFFFAOYSA-N 1 1 198.269 3.570 20 0 AHADMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001174622528 761352411 /nfs/dbraw/zinc/35/24/11/761352411.db2.gz KWFZDONDNLMSAL-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[C@@H](CC)CCC[N@@H+](C)CC ZINC001174724138 761354746 /nfs/dbraw/zinc/35/47/46/761354746.db2.gz GKNCALDRPVUOME-CYBMUJFWSA-N 1 1 199.382 3.935 20 0 AHADMO CCCC[C@H](CC)CCC[N@@H+](C)CC ZINC001174724139 761352204 /nfs/dbraw/zinc/35/22/04/761352204.db2.gz GKNCALDRPVUOME-ZDUSSCGKSA-N 1 1 199.382 3.935 20 0 AHADMO CCC(CC)CCC[N@@H+](C)CC1CC1 ZINC001174949516 761406859 /nfs/dbraw/zinc/40/68/59/761406859.db2.gz XLIPEHBKUXSEBD-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CC(C)CCC[N@H+]1C[C@H](C)CC1(C)C ZINC001175757656 761416094 /nfs/dbraw/zinc/41/60/94/761416094.db2.gz GECFVVIGTMCNCK-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1C[C@@H](C)CC1(C)C ZINC001175757661 761420121 /nfs/dbraw/zinc/42/01/21/761420121.db2.gz GECFVVIGTMCNCK-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCCC[N@@H+](C)CCC1CC1 ZINC001179926519 761479034 /nfs/dbraw/zinc/47/90/34/761479034.db2.gz YWTRVNXLPKZZRD-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CC(C)[C@H](C)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001180166996 761482170 /nfs/dbraw/zinc/48/21/70/761482170.db2.gz YLACSBQBWBDWHP-NEPJUHHUSA-N 1 1 199.382 3.645 20 0 AHADMO CC(C)[C@@H](C)[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001180166997 761483911 /nfs/dbraw/zinc/48/39/11/761483911.db2.gz YLACSBQBWBDWHP-NWDGAFQWSA-N 1 1 199.382 3.645 20 0 AHADMO CC(C)[C@H](C)[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001180166998 761479759 /nfs/dbraw/zinc/47/97/59/761479759.db2.gz YLACSBQBWBDWHP-RYUDHWBXSA-N 1 1 199.382 3.645 20 0 AHADMO CC(C)[C@@H](C)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001180166999 761483086 /nfs/dbraw/zinc/48/30/86/761483086.db2.gz YLACSBQBWBDWHP-VXGBXAGGSA-N 1 1 199.382 3.645 20 0 AHADMO CC(C)CCCC[N@@H+](C(C)C)C1CC1 ZINC001180178077 761480320 /nfs/dbraw/zinc/48/03/20/761480320.db2.gz NIFWTLGQQIXJCH-UHFFFAOYSA-N 1 1 197.366 3.686 20 0 AHADMO C[C@@H]([N@@H+](C)CCC(C)(C)C)C(C)(C)C ZINC001180253423 761484228 /nfs/dbraw/zinc/48/42/28/761484228.db2.gz LTKZUBDWMQOHKM-LLVKDONJSA-N 1 1 199.382 3.789 20 0 AHADMO C[C@H]([N@@H+](C)CCC(C)(C)C)C(C)(C)C ZINC001180253424 761484359 /nfs/dbraw/zinc/48/43/59/761484359.db2.gz LTKZUBDWMQOHKM-NSHDSACASA-N 1 1 199.382 3.789 20 0 AHADMO CCC[C@@H](C)[N@@H+](C)CCCCC(C)C ZINC001180275195 761482533 /nfs/dbraw/zinc/48/25/33/761482533.db2.gz JKCSORMOPNWEJC-CYBMUJFWSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[C@H](C)[N@@H+](C)CCCCC(C)C ZINC001180275196 761483930 /nfs/dbraw/zinc/48/39/30/761483930.db2.gz JKCSORMOPNWEJC-ZDUSSCGKSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[C@@H](C)[N@@H+](C)C[C@H](C)CC(C)C ZINC001180275252 761480389 /nfs/dbraw/zinc/48/03/89/761480389.db2.gz LDECZGCFNKARAO-CHWSQXEVSA-N 1 1 199.382 3.789 20 0 AHADMO CCC[C@H](C)[N@@H+](C)C[C@H](C)CC(C)C ZINC001180275253 761482611 /nfs/dbraw/zinc/48/26/11/761482611.db2.gz LDECZGCFNKARAO-OLZOCXBDSA-N 1 1 199.382 3.789 20 0 AHADMO CCC[C@@H](C)[N@@H+](C)C[C@@H](C)CC(C)C ZINC001180275254 761482815 /nfs/dbraw/zinc/48/28/15/761482815.db2.gz LDECZGCFNKARAO-QWHCGFSZSA-N 1 1 199.382 3.789 20 0 AHADMO CCC[C@H](C)[N@@H+](C)C[C@@H](C)CC(C)C ZINC001180275255 761480296 /nfs/dbraw/zinc/48/02/96/761480296.db2.gz LDECZGCFNKARAO-STQMWFEESA-N 1 1 199.382 3.789 20 0 AHADMO CC(C)[N@@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC001180431263 761489150 /nfs/dbraw/zinc/48/91/50/761489150.db2.gz WTWGMDDIGPZTLB-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)[N@@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC001180431264 761489068 /nfs/dbraw/zinc/48/90/68/761489068.db2.gz WTWGMDDIGPZTLB-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H]1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001180431372 761488281 /nfs/dbraw/zinc/48/82/81/761488281.db2.gz ZEYHFTZLEUSVDW-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H]1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001180431373 761489983 /nfs/dbraw/zinc/48/99/83/761489983.db2.gz ZEYHFTZLEUSVDW-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H]1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001180431374 761491012 /nfs/dbraw/zinc/49/10/12/761491012.db2.gz ZEYHFTZLEUSVDW-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H]1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001180431375 761487278 /nfs/dbraw/zinc/48/72/78/761487278.db2.gz ZEYHFTZLEUSVDW-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCCC[N@@H+](C)C(C)(C)C ZINC001182532835 761532728 /nfs/dbraw/zinc/53/27/28/761532728.db2.gz GJTDJNZJZWPLQQ-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO CCCC[C@@H](CC)C[N@@H+](CC)C1CC1 ZINC001190331786 761592985 /nfs/dbraw/zinc/59/29/85/761592985.db2.gz MGEVSXBIYPYJNV-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[C@H](CC)C[N@@H+](CC)C1CC1 ZINC001190331787 761594869 /nfs/dbraw/zinc/59/48/69/761594869.db2.gz MGEVSXBIYPYJNV-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CCCC(C)C)C1CC1 ZINC001190348575 761596246 /nfs/dbraw/zinc/59/62/46/761596246.db2.gz MNIQRAUSNQVRGH-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[N@@H+](C[C@H](C)CC(C)(C)C)C(C)C ZINC001190448179 761592470 /nfs/dbraw/zinc/59/24/70/761592470.db2.gz YCUHWACQUOQLOI-GFCCVEGCSA-N 1 1 199.382 3.789 20 0 AHADMO CC[N@@H+](C[C@@H](C)CC(C)(C)C)C(C)C ZINC001190448184 761592141 /nfs/dbraw/zinc/59/21/41/761592141.db2.gz YCUHWACQUOQLOI-LBPRGKRZSA-N 1 1 199.382 3.789 20 0 AHADMO CCC[N@@H+](CC(C)C)[C@H](C)[C@H](C)CC ZINC001190651989 761599216 /nfs/dbraw/zinc/59/92/16/761599216.db2.gz UDYHUAGMHOBFAI-CHWSQXEVSA-N 1 1 199.382 3.789 20 0 AHADMO CCC[N@@H+](CC(C)C)[C@@H](C)[C@H](C)CC ZINC001190651990 761598656 /nfs/dbraw/zinc/59/86/56/761598656.db2.gz UDYHUAGMHOBFAI-OLZOCXBDSA-N 1 1 199.382 3.789 20 0 AHADMO CCC[N@@H+](CC(C)C)[C@H](C)[C@@H](C)CC ZINC001190651991 761601741 /nfs/dbraw/zinc/60/17/41/761601741.db2.gz UDYHUAGMHOBFAI-QWHCGFSZSA-N 1 1 199.382 3.789 20 0 AHADMO CCC[N@@H+](CC(C)C)[C@@H](C)[C@@H](C)CC ZINC001190651993 761600213 /nfs/dbraw/zinc/60/02/13/761600213.db2.gz UDYHUAGMHOBFAI-STQMWFEESA-N 1 1 199.382 3.789 20 0 AHADMO CC[C@@H](C)C[N@H+]1CCC[C@@H](CC)CC1 ZINC001190965263 761600501 /nfs/dbraw/zinc/60/05/01/761600501.db2.gz DVGCKKIRUKSFFN-CHWSQXEVSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@@H](C)C[N@H+]1CCC[C@H](CC)CC1 ZINC001190965265 761603092 /nfs/dbraw/zinc/60/30/92/761603092.db2.gz DVGCKKIRUKSFFN-OLZOCXBDSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H](C)C[N@H+]1CCC[C@@H](CC)CC1 ZINC001190965266 761602083 /nfs/dbraw/zinc/60/20/83/761602083.db2.gz DVGCKKIRUKSFFN-QWHCGFSZSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H](C)C[N@H+]1CCC[C@H](CC)CC1 ZINC001190965268 761602847 /nfs/dbraw/zinc/60/28/47/761602847.db2.gz DVGCKKIRUKSFFN-STQMWFEESA-N 1 1 197.366 3.545 20 0 AHADMO CC(C)(C)CCC[N@H+]1CCCC1(C)C ZINC001191014042 761600898 /nfs/dbraw/zinc/60/08/98/761600898.db2.gz WDVMRGHCWHQFPQ-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO C[C@@H](C[N@@H+](C)C1CCC1)CC(C)(C)C ZINC001191232806 761601843 /nfs/dbraw/zinc/60/18/43/761601843.db2.gz JNJFKIYHGIEEAM-LLVKDONJSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H](C[N@@H+](C)C1CCC1)CC(C)(C)C ZINC001191232808 761603001 /nfs/dbraw/zinc/60/30/01/761603001.db2.gz JNJFKIYHGIEEAM-NSHDSACASA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](C)C[N@@H+](CC)CCC1CCC1 ZINC001191375458 761598969 /nfs/dbraw/zinc/59/89/69/761598969.db2.gz SMXTUWWHCVJJMR-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H](C)C[N@@H+](CC)CCC1CCC1 ZINC001191375459 761600964 /nfs/dbraw/zinc/60/09/64/761600964.db2.gz SMXTUWWHCVJJMR-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@@H](CC)C1 ZINC001191409982 761599184 /nfs/dbraw/zinc/59/91/84/761599184.db2.gz YQDKZBVYIFPFNU-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@H](CC)C1 ZINC001191409984 761602273 /nfs/dbraw/zinc/60/22/73/761602273.db2.gz YQDKZBVYIFPFNU-ZDUSSCGKSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[N@@H+](C[C@H](C)CC(C)C)C1CC1 ZINC001192526485 761611689 /nfs/dbraw/zinc/61/16/89/761611689.db2.gz ZNKDJJAJLINNEH-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](C[C@@H](C)CC(C)C)C1CC1 ZINC001192526486 761613037 /nfs/dbraw/zinc/61/30/37/761613037.db2.gz ZNKDJJAJLINNEH-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(C)(C)C ZINC001192645028 761614176 /nfs/dbraw/zinc/61/41/76/761614176.db2.gz FYWGENIAFXPAJV-NEPJUHHUSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(C)(C)C ZINC001192645030 761611264 /nfs/dbraw/zinc/61/12/64/761611264.db2.gz FYWGENIAFXPAJV-NWDGAFQWSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(C)(C)C ZINC001192645031 761614602 /nfs/dbraw/zinc/61/46/02/761614602.db2.gz FYWGENIAFXPAJV-RYUDHWBXSA-N 1 1 197.366 3.686 20 0 AHADMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(C)(C)C ZINC001192645032 761615752 /nfs/dbraw/zinc/61/57/52/761615752.db2.gz FYWGENIAFXPAJV-VXGBXAGGSA-N 1 1 197.366 3.686 20 0 AHADMO CCC(CC)C[N@H+]1CC[C@H](CC)[C@@H]1C ZINC001193603572 761629254 /nfs/dbraw/zinc/62/92/54/761629254.db2.gz BZBOOFHIWPPIAR-AAEUAGOBSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CC[C@@H](CC)[C@H]1C ZINC001193603590 761627492 /nfs/dbraw/zinc/62/74/92/761627492.db2.gz BZBOOFHIWPPIAR-DGCLKSJQSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CC[C@@H](CC)[C@@H]1C ZINC001193603592 761629721 /nfs/dbraw/zinc/62/97/21/761629721.db2.gz BZBOOFHIWPPIAR-WCQYABFASA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CC[C@H](CC)[C@H]1C ZINC001193603595 761629974 /nfs/dbraw/zinc/62/99/74/761629974.db2.gz BZBOOFHIWPPIAR-YPMHNXCESA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H]1[C@H](C)CC[N@H+]1CCCC(C)C ZINC001193672896 761626478 /nfs/dbraw/zinc/62/64/78/761626478.db2.gz AVXQIWVICFDRTG-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H]1[C@H](C)CC[N@H+]1CCCC(C)C ZINC001193672897 761629287 /nfs/dbraw/zinc/62/92/87/761629287.db2.gz AVXQIWVICFDRTG-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCCC(C)C ZINC001193672898 761628511 /nfs/dbraw/zinc/62/85/11/761628511.db2.gz AVXQIWVICFDRTG-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@H]1[C@@H](C)CC[N@H+]1CCCC(C)C ZINC001193672900 761629956 /nfs/dbraw/zinc/62/99/56/761629956.db2.gz AVXQIWVICFDRTG-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CCC(C)(C)[N@@H+](C)CCCC1CCC1 ZINC001194041924 761655948 /nfs/dbraw/zinc/65/59/48/761655948.db2.gz IFGZDPNTBKRCOF-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC(C)CC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC001194041962 761657258 /nfs/dbraw/zinc/65/72/58/761657258.db2.gz IWJYKRMKVDEZOC-GFCCVEGCSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC001194041963 761658477 /nfs/dbraw/zinc/65/84/77/761658477.db2.gz IWJYKRMKVDEZOC-LBPRGKRZSA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@H+]1CCC[C@]1(C)CC(C)C ZINC001194533400 761670710 /nfs/dbraw/zinc/67/07/10/761670710.db2.gz AIEMDQUWQHVCRL-CYBMUJFWSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@H+]1CCC[C@@]1(C)CC(C)C ZINC001194533401 761673903 /nfs/dbraw/zinc/67/39/03/761673903.db2.gz AIEMDQUWQHVCRL-ZDUSSCGKSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(CC)[N@@H+](CC)C[C@@H]1C[C@H]1CC ZINC001194782157 761676362 /nfs/dbraw/zinc/67/63/62/761676362.db2.gz NYRMPIFNVZWUFZ-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H]1CC ZINC001194873242 761676480 /nfs/dbraw/zinc/67/64/80/761676480.db2.gz DZZNNSKMTGJVLE-UPJWGTAASA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1CC ZINC001194873244 761678888 /nfs/dbraw/zinc/67/88/88/761678888.db2.gz DZZNNSKMTGJVLE-XQQFMLRXSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCCC[N@H+]1CC(C)(C)C[C@H]1C ZINC001195195492 761696214 /nfs/dbraw/zinc/69/62/14/761696214.db2.gz ASZFQWLVTJYHJX-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCCC[N@H+]1CC(C)(C)C[C@@H]1C ZINC001195195495 761697232 /nfs/dbraw/zinc/69/72/32/761697232.db2.gz ASZFQWLVTJYHJX-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(CC)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001195349937 761699839 /nfs/dbraw/zinc/69/98/39/761699839.db2.gz JHNKAYMEFVXRJI-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H](C[N@@H+](C)C(C)(C)C)CC(C)(C)C ZINC001195450904 761702033 /nfs/dbraw/zinc/70/20/33/761702033.db2.gz AFLOONCJZWIDBL-LLVKDONJSA-N 1 1 199.382 3.789 20 0 AHADMO C[C@H](C[N@@H+](C)C(C)(C)C)CC(C)(C)C ZINC001195450911 761699423 /nfs/dbraw/zinc/69/94/23/761699423.db2.gz AFLOONCJZWIDBL-NSHDSACASA-N 1 1 199.382 3.789 20 0 AHADMO CC(C)CCC[N@@H+](C)CCC(C)(C)C ZINC001195497890 761698707 /nfs/dbraw/zinc/69/87/07/761698707.db2.gz LFROWVBEFYEGOX-UHFFFAOYSA-N 1 1 199.382 3.791 20 0 AHADMO CCC[N@@H+](CCC1CCCC1)C(C)C ZINC001195596333 761700382 /nfs/dbraw/zinc/70/03/82/761700382.db2.gz MGHOBINMVSEUGB-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[N@@H+](C)C1CC(C)(C)CC(C)(C)C1 ZINC001195963678 761708704 /nfs/dbraw/zinc/70/87/04/761708704.db2.gz SFXUBBNQYSWWCE-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001195994609 761705291 /nfs/dbraw/zinc/70/52/91/761705291.db2.gz FLOPUYGHXOUAKD-UHFFFAOYSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCCC[N@@H+](CC)[C@H](C)CC ZINC001196038550 761709971 /nfs/dbraw/zinc/70/99/71/761709971.db2.gz BWNHBWVNYACVBH-GFCCVEGCSA-N 1 1 185.355 3.687 20 0 AHADMO CCCCCC[N@@H+](CC)[C@@H](C)CC ZINC001196038551 761705682 /nfs/dbraw/zinc/70/56/82/761705682.db2.gz BWNHBWVNYACVBH-LBPRGKRZSA-N 1 1 185.355 3.687 20 0 AHADMO CCCCC[N@H+]1C[C@H](CC)CC[C@H]1C ZINC001196175124 761705527 /nfs/dbraw/zinc/70/55/27/761705527.db2.gz GDVCGPLTCXSVJY-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(CC)[N@@H+](C)CC1CCCCC1 ZINC001201399857 761755245 /nfs/dbraw/zinc/75/52/45/761755245.db2.gz JHUNTNAZOKYVAB-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H]1CCCC[N@H+]1CC(C)(C)C ZINC001201440265 761763017 /nfs/dbraw/zinc/76/30/17/761763017.db2.gz FZEQOPAHBYTDNI-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H]1CCCC[N@H+]1CC(C)(C)C ZINC001201440266 761761400 /nfs/dbraw/zinc/76/14/00/761761400.db2.gz FZEQOPAHBYTDNI-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(CC)[N@@H+](CC)CC(C)(C)C ZINC001201443017 761759649 /nfs/dbraw/zinc/75/96/49/761759649.db2.gz NPBSNQKWUHVIRW-UHFFFAOYSA-N 1 1 185.355 3.543 20 0 AHADMO C[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)C)CC1 ZINC001201446252 761759839 /nfs/dbraw/zinc/75/98/39/761759839.db2.gz AUBOGUUEVXHMOO-HAQNSBGRSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)=CCC[C@@H](C)C[N@@H+](C)C(C)C ZINC001201482060 761763439 /nfs/dbraw/zinc/76/34/39/761763439.db2.gz CTKHNTBOUKJNFN-CYBMUJFWSA-N 1 1 197.366 3.709 20 0 AHADMO CC(C)=CCC[C@H](C)C[N@@H+](C)C(C)C ZINC001201482061 761767473 /nfs/dbraw/zinc/76/74/73/761767473.db2.gz CTKHNTBOUKJNFN-ZDUSSCGKSA-N 1 1 197.366 3.709 20 0 AHADMO CCC[N@@H+](C)C[C@H](C)CCC=C(C)C ZINC001201482102 761766999 /nfs/dbraw/zinc/76/69/99/761766999.db2.gz DQSXDZUKEQJSFF-CYBMUJFWSA-N 1 1 197.366 3.711 20 0 AHADMO CCC[N@@H+](C)C[C@@H](C)CCC=C(C)C ZINC001201482103 761763932 /nfs/dbraw/zinc/76/39/32/761763932.db2.gz DQSXDZUKEQJSFF-ZDUSSCGKSA-N 1 1 197.366 3.711 20 0 AHADMO CCC[N@@H+](C[C@H](C)CC)[C@@H](C)CC ZINC001201499757 761772200 /nfs/dbraw/zinc/77/22/00/761772200.db2.gz PYIUGJQSQDFTOB-NEPJUHHUSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[N@@H+](C[C@@H](C)CC)[C@H](C)CC ZINC001201499758 761770952 /nfs/dbraw/zinc/77/09/52/761770952.db2.gz PYIUGJQSQDFTOB-NWDGAFQWSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[N@@H+](C[C@@H](C)CC)[C@@H](C)CC ZINC001201499760 761771132 /nfs/dbraw/zinc/77/11/32/761771132.db2.gz PYIUGJQSQDFTOB-RYUDHWBXSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[N@@H+](C[C@H](C)CC)[C@H](C)CC ZINC001201499761 761773520 /nfs/dbraw/zinc/77/35/20/761773520.db2.gz PYIUGJQSQDFTOB-VXGBXAGGSA-N 1 1 185.355 3.543 20 0 AHADMO CCC[C@@H]1CCCC[N@H+]1C[C@H](C)CC ZINC001201511796 761770061 /nfs/dbraw/zinc/77/00/61/761770061.db2.gz YTBSQWGTYMHJSC-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H]1CCCC[N@H+]1C[C@H](C)CC ZINC001201511797 761771999 /nfs/dbraw/zinc/77/19/99/761771999.db2.gz YTBSQWGTYMHJSC-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](C)CC ZINC001201511798 761771177 /nfs/dbraw/zinc/77/11/77/761771177.db2.gz YTBSQWGTYMHJSC-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H]1CCCC[N@H+]1C[C@@H](C)CC ZINC001201511799 761773506 /nfs/dbraw/zinc/77/35/06/761773506.db2.gz YTBSQWGTYMHJSC-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CCC[N@@H+](CC(CC)CC)[C@H](C)CC ZINC001201520469 761778529 /nfs/dbraw/zinc/77/85/29/761778529.db2.gz ACGQNZYFKSCMJZ-GFCCVEGCSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[N@@H+](CC(CC)CC)[C@@H](C)CC ZINC001201520470 761778321 /nfs/dbraw/zinc/77/83/21/761778321.db2.gz ACGQNZYFKSCMJZ-LBPRGKRZSA-N 1 1 199.382 3.933 20 0 AHADMO CCCCC[N@@H+](C)CC(CC)CC ZINC001201520628 761778417 /nfs/dbraw/zinc/77/84/17/761778417.db2.gz IAQXDIMAIOTZFK-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CCC(CC)C[N@@H+](C)C1CCCCC1 ZINC001201521809 761775643 /nfs/dbraw/zinc/77/56/43/761775643.db2.gz ZHXVWWDWJACVCF-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@H](C)C[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001201521811 761777197 /nfs/dbraw/zinc/77/71/97/761777197.db2.gz ZIWMRGZKNSSPTR-AVGNSLFASA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](C)C[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001201521812 761778511 /nfs/dbraw/zinc/77/85/11/761778511.db2.gz ZIWMRGZKNSSPTR-JHJVBQTASA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@@H](C)CC1 ZINC001201523217 761775593 /nfs/dbraw/zinc/77/55/93/761775593.db2.gz GBSJRGWMMGDFRV-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@H](C)CC1 ZINC001201523218 761778900 /nfs/dbraw/zinc/77/89/00/761778900.db2.gz GBSJRGWMMGDFRV-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(CC)C[N@H+]1CCCC[C@@H](C)C1 ZINC001201523745 761777241 /nfs/dbraw/zinc/77/72/41/761777241.db2.gz WIYQFBYZFGMRDE-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(CC)C[N@H+]1CCCC[C@H](C)C1 ZINC001201523746 761778470 /nfs/dbraw/zinc/77/84/70/761778470.db2.gz WIYQFBYZFGMRDE-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(CC)C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001201531228 761776450 /nfs/dbraw/zinc/77/64/50/761776450.db2.gz JHNKAYMEFVXRJI-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CC[C@H](C)C[C@H]1C ZINC001201531229 761778535 /nfs/dbraw/zinc/77/85/35/761778535.db2.gz JHNKAYMEFVXRJI-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC001201531231 761776783 /nfs/dbraw/zinc/77/67/83/761776783.db2.gz JHNKAYMEFVXRJI-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001201531936 761776408 /nfs/dbraw/zinc/77/64/08/761776408.db2.gz ZBRARUIJQLHPFW-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC001201531937 761778483 /nfs/dbraw/zinc/77/84/83/761778483.db2.gz ZBRARUIJQLHPFW-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC001201531938 761774675 /nfs/dbraw/zinc/77/46/75/761774675.db2.gz ZBRARUIJQLHPFW-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001201531939 761777292 /nfs/dbraw/zinc/77/72/92/761777292.db2.gz ZBRARUIJQLHPFW-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC001201534144 761777364 /nfs/dbraw/zinc/77/73/64/761777364.db2.gz BFIQTLNSAZCRKM-RWMBFGLXSA-N 1 1 197.366 3.686 20 0 AHADMO CCC[C@@H](C)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC001201534145 761774630 /nfs/dbraw/zinc/77/46/30/761774630.db2.gz BFIQTLNSAZCRKM-UPJWGTAASA-N 1 1 197.366 3.686 20 0 AHADMO CCC[C@@H](C)C[N@@H+](C)C1CCCCC1 ZINC001201534485 761774429 /nfs/dbraw/zinc/77/44/29/761774429.db2.gz JVHVPAXLFHHKOY-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H](C)C[N@@H+](C)C1CCCCC1 ZINC001201534487 761778821 /nfs/dbraw/zinc/77/88/21/761778821.db2.gz JVHVPAXLFHHKOY-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(CC)C[N@H+]1CCCC[C@@H]1CC ZINC001201534492 761776386 /nfs/dbraw/zinc/77/63/86/761776386.db2.gz JYPTVPHOALHWIS-ZDUSSCGKSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H](C)C[N@@H+](CCC)CC1CC1 ZINC001201534763 761777718 /nfs/dbraw/zinc/77/77/18/761777718.db2.gz RJZZLSYCGGGBGK-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@H](C)C[N@@H+](CCC)CC1CC1 ZINC001201534764 761776923 /nfs/dbraw/zinc/77/69/23/761776923.db2.gz RJZZLSYCGGGBGK-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@@H]1C(C)C ZINC001201534894 761776585 /nfs/dbraw/zinc/77/65/85/761776585.db2.gz CMYWSVXHYAATLB-CYBMUJFWSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CCC[C@H]1C(C)C ZINC001201534895 761777953 /nfs/dbraw/zinc/77/79/53/761777953.db2.gz CMYWSVXHYAATLB-ZDUSSCGKSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)C[N@H+]1CCCC[C@H]1CC ZINC001201535327 761778656 /nfs/dbraw/zinc/77/86/56/761778656.db2.gz JYPTVPHOALHWIS-CYBMUJFWSA-N 1 1 197.366 3.687 20 0 AHADMO CCC(CC)C[N@@H+](C)CC1CCCC1 ZINC001201536048 761775112 /nfs/dbraw/zinc/77/51/12/761775112.db2.gz UQDNMZUGXFOHGD-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CCC(CC)C[N@@H+](CC)C(CC)CC ZINC001201536204 761774735 /nfs/dbraw/zinc/77/47/35/761774735.db2.gz VISRNHYWOHKGBF-UHFFFAOYSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCCC[C@@H](C)C1 ZINC001201538329 761774651 /nfs/dbraw/zinc/77/46/51/761774651.db2.gz DYKXTMNFTRIOAF-CHWSQXEVSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCCC[C@H](C)C1 ZINC001201538330 761774399 /nfs/dbraw/zinc/77/43/99/761774399.db2.gz DYKXTMNFTRIOAF-OLZOCXBDSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCCC[C@@H](C)C1 ZINC001201538331 761777687 /nfs/dbraw/zinc/77/76/87/761777687.db2.gz DYKXTMNFTRIOAF-QWHCGFSZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCCC[C@H](C)C1 ZINC001201538332 761778775 /nfs/dbraw/zinc/77/87/75/761778775.db2.gz DYKXTMNFTRIOAF-STQMWFEESA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCC[C@@H](C)CC1 ZINC001201538568 761778571 /nfs/dbraw/zinc/77/85/71/761778571.db2.gz JYJLWRQZPYWSES-CHWSQXEVSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@@H](C)CC1 ZINC001201538569 761775973 /nfs/dbraw/zinc/77/59/73/761775973.db2.gz JYJLWRQZPYWSES-OLZOCXBDSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCC[C@H](C)CC1 ZINC001201538570 761775694 /nfs/dbraw/zinc/77/56/94/761775694.db2.gz JYJLWRQZPYWSES-QWHCGFSZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@H](C)CC1 ZINC001201538571 761778754 /nfs/dbraw/zinc/77/87/54/761778754.db2.gz JYJLWRQZPYWSES-STQMWFEESA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[N@@H+](CC)C[C@H](C)CCC ZINC001201539035 761777136 /nfs/dbraw/zinc/77/71/36/761777136.db2.gz OFOPKNZJLNEAKJ-GFCCVEGCSA-N 1 1 185.355 3.545 20 0 AHADMO CCCC[N@@H+](CC)C[C@@H](C)CCC ZINC001201539036 761778403 /nfs/dbraw/zinc/77/84/03/761778403.db2.gz OFOPKNZJLNEAKJ-LBPRGKRZSA-N 1 1 185.355 3.545 20 0 AHADMO CCC[C@@H](C)C[N@@H+](CCC)[C@H](C)CC ZINC001201539204 761784180 /nfs/dbraw/zinc/78/41/80/761784180.db2.gz ROALPUPPSWTMPL-CHWSQXEVSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[C@@H](C)C[N@@H+](CCC)[C@@H](C)CC ZINC001201539205 761782154 /nfs/dbraw/zinc/78/21/54/761782154.db2.gz ROALPUPPSWTMPL-OLZOCXBDSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[C@H](C)C[N@@H+](CCC)[C@H](C)CC ZINC001201539206 761780771 /nfs/dbraw/zinc/78/07/71/761780771.db2.gz ROALPUPPSWTMPL-QWHCGFSZSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[C@H](C)C[N@@H+](CCC)[C@@H](C)CC ZINC001201539207 761782833 /nfs/dbraw/zinc/78/28/33/761782833.db2.gz ROALPUPPSWTMPL-STQMWFEESA-N 1 1 199.382 3.933 20 0 AHADMO CCCCC[N@@H+](C)C[C@H](C)CCC ZINC001201539541 761782202 /nfs/dbraw/zinc/78/22/02/761782202.db2.gz WQZQTGVUFFXNHI-GFCCVEGCSA-N 1 1 185.355 3.545 20 0 AHADMO CCCCC[N@@H+](C)C[C@@H](C)CCC ZINC001201539543 761782669 /nfs/dbraw/zinc/78/26/69/761782669.db2.gz WQZQTGVUFFXNHI-LBPRGKRZSA-N 1 1 185.355 3.545 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCCCC[C@H]1C ZINC001201549840 761781742 /nfs/dbraw/zinc/78/17/42/761781742.db2.gz DKEFUGDIMMPABK-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCCCC[C@@H]1C ZINC001201549842 761783066 /nfs/dbraw/zinc/78/30/66/761783066.db2.gz DKEFUGDIMMPABK-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCCCC[C@H]1C ZINC001201549843 761780303 /nfs/dbraw/zinc/78/03/03/761780303.db2.gz DKEFUGDIMMPABK-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCCCC[C@@H]1C ZINC001201549844 761780152 /nfs/dbraw/zinc/78/01/52/761780152.db2.gz DKEFUGDIMMPABK-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC001201551075 761782783 /nfs/dbraw/zinc/78/27/83/761782783.db2.gz OGCWNLCYDIUSSG-AVGNSLFASA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC001201551076 761784242 /nfs/dbraw/zinc/78/42/42/761784242.db2.gz OGCWNLCYDIUSSG-RWMBFGLXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001201551077 761782135 /nfs/dbraw/zinc/78/21/35/761782135.db2.gz OGCWNLCYDIUSSG-XQQFMLRXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001201551078 761783443 /nfs/dbraw/zinc/78/34/43/761783443.db2.gz OGCWNLCYDIUSSG-YNEHKIRRSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H](C)C[N@@H+](CC)C(CC)CC ZINC001201551920 761782431 /nfs/dbraw/zinc/78/24/31/761782431.db2.gz GPDYDJZPTIWDOO-GFCCVEGCSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[C@H](C)C[N@@H+](CC)C(CC)CC ZINC001201551921 761780603 /nfs/dbraw/zinc/78/06/03/761780603.db2.gz GPDYDJZPTIWDOO-LBPRGKRZSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCC[C@@H](CC)C1 ZINC001201552606 761781375 /nfs/dbraw/zinc/78/13/75/761781375.db2.gz OJWIPWHQCGDGQR-CHWSQXEVSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCC[C@H](CC)C1 ZINC001201552607 761784662 /nfs/dbraw/zinc/78/46/62/761784662.db2.gz OJWIPWHQCGDGQR-OLZOCXBDSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@@H](CC)C1 ZINC001201552608 761780371 /nfs/dbraw/zinc/78/03/71/761780371.db2.gz OJWIPWHQCGDGQR-QWHCGFSZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@H](CC)C1 ZINC001201552609 761783097 /nfs/dbraw/zinc/78/30/97/761783097.db2.gz OJWIPWHQCGDGQR-STQMWFEESA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001201552610 761782614 /nfs/dbraw/zinc/78/26/14/761782614.db2.gz OMAXOHZUJSOYHW-AGIUHOORSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC001201552611 761780668 /nfs/dbraw/zinc/78/06/68/761780668.db2.gz OMAXOHZUJSOYHW-AVGNSLFASA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001201552612 761782186 /nfs/dbraw/zinc/78/21/86/761782186.db2.gz OMAXOHZUJSOYHW-FRRDWIJNSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@H+]1CC[C@H](C)C[C@H]1C ZINC001201552613 761784316 /nfs/dbraw/zinc/78/43/16/761784316.db2.gz OMAXOHZUJSOYHW-RWMBFGLXSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCCC[C@H]1CC ZINC001201552913 761780118 /nfs/dbraw/zinc/78/01/18/761780118.db2.gz VNHIGWQAQYRRFZ-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1CC ZINC001201552914 761780277 /nfs/dbraw/zinc/78/02/77/761780277.db2.gz VNHIGWQAQYRRFZ-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCCC[C@H]1CC ZINC001201552915 761783076 /nfs/dbraw/zinc/78/30/76/761783076.db2.gz VNHIGWQAQYRRFZ-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCCC[C@@H]1CC ZINC001201552916 761784380 /nfs/dbraw/zinc/78/43/80/761784380.db2.gz VNHIGWQAQYRRFZ-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CCC[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001201553077 761780967 /nfs/dbraw/zinc/78/09/67/761780967.db2.gz ZYKPTTZNTZXFAW-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001201553078 761782716 /nfs/dbraw/zinc/78/27/16/761782716.db2.gz ZYKPTTZNTZXFAW-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCC[C@@H]1C(C)C ZINC001201554071 761783129 /nfs/dbraw/zinc/78/31/29/761783129.db2.gz TXRXFHKNEWOKRG-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@@H](C)C[N@H+]1CCC[C@H]1C(C)C ZINC001201554072 761784555 /nfs/dbraw/zinc/78/45/55/761784555.db2.gz TXRXFHKNEWOKRG-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@@H]1C(C)C ZINC001201554073 761781849 /nfs/dbraw/zinc/78/18/49/761781849.db2.gz TXRXFHKNEWOKRG-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CCC[C@H](C)C[N@H+]1CCC[C@H]1C(C)C ZINC001201554074 761781431 /nfs/dbraw/zinc/78/14/31/761781431.db2.gz TXRXFHKNEWOKRG-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[C@@H](CC)C[N@@H+](C)[C@H](C)CC ZINC001201558350 761781671 /nfs/dbraw/zinc/78/16/71/761781671.db2.gz BIXQIVOXKPNJJG-CHWSQXEVSA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[C@H](CC)C[N@@H+](C)[C@H](C)CC ZINC001201558351 761785083 /nfs/dbraw/zinc/78/50/83/761785083.db2.gz BIXQIVOXKPNJJG-OLZOCXBDSA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[C@@H](CC)C[N@@H+](C)[C@@H](C)CC ZINC001201558352 761783355 /nfs/dbraw/zinc/78/33/55/761783355.db2.gz BIXQIVOXKPNJJG-QWHCGFSZSA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[C@H](CC)C[N@@H+](C)[C@@H](C)CC ZINC001201558353 761780097 /nfs/dbraw/zinc/78/00/97/761780097.db2.gz BIXQIVOXKPNJJG-STQMWFEESA-N 1 1 199.382 3.933 20 0 AHADMO CCCC[C@@H](CC)C[N@H+]1CCC[C@H]1C ZINC001201562273 761783909 /nfs/dbraw/zinc/78/39/09/761783909.db2.gz ARWJFLVLSSYIJJ-CHWSQXEVSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[C@H](CC)C[N@H+]1CCC[C@H]1C ZINC001201562274 761782279 /nfs/dbraw/zinc/78/22/79/761782279.db2.gz ARWJFLVLSSYIJJ-OLZOCXBDSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[C@@H](CC)C[N@H+]1CCC[C@@H]1C ZINC001201562276 761782107 /nfs/dbraw/zinc/78/21/07/761782107.db2.gz ARWJFLVLSSYIJJ-QWHCGFSZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[C@H](CC)C[N@H+]1CCC[C@@H]1C ZINC001201562277 761784095 /nfs/dbraw/zinc/78/40/95/761784095.db2.gz ARWJFLVLSSYIJJ-STQMWFEESA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[C@@H](CC)C[N@@H+](C)CC1CC1 ZINC001201562958 761782752 /nfs/dbraw/zinc/78/27/52/761782752.db2.gz JRYANXLXMXZXGR-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[C@H](CC)C[N@@H+](C)CC1CC1 ZINC001201562959 761780824 /nfs/dbraw/zinc/78/08/24/761780824.db2.gz JRYANXLXMXZXGR-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[C@@H](CC)C[N@@H+](C)CCC ZINC001201563152 761785469 /nfs/dbraw/zinc/78/54/69/761785469.db2.gz LNNNGGJEZYBFRA-GFCCVEGCSA-N 1 1 185.355 3.545 20 0 AHADMO CCCC[C@H](CC)C[N@@H+](C)CCC ZINC001201563153 761781253 /nfs/dbraw/zinc/78/12/53/761781253.db2.gz LNNNGGJEZYBFRA-LBPRGKRZSA-N 1 1 185.355 3.545 20 0 AHADMO CCCC[C@@H](CC)C[N@H+]1CC[C@@H](C)C1 ZINC001201564238 761782358 /nfs/dbraw/zinc/78/23/58/761782358.db2.gz VZUUPXSAYUXYOH-CHWSQXEVSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[C@H](CC)C[N@H+]1CC[C@@H](C)C1 ZINC001201564239 761780404 /nfs/dbraw/zinc/78/04/04/761780404.db2.gz VZUUPXSAYUXYOH-OLZOCXBDSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[C@@H](CC)C[N@H+]1CC[C@H](C)C1 ZINC001201564240 761781219 /nfs/dbraw/zinc/78/12/19/761781219.db2.gz VZUUPXSAYUXYOH-QWHCGFSZSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[C@H](CC)C[N@H+]1CC[C@H](C)C1 ZINC001201564241 761785564 /nfs/dbraw/zinc/78/55/64/761785564.db2.gz VZUUPXSAYUXYOH-STQMWFEESA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[N@@H+](CCC)CCC(C)C ZINC001201620180 761798942 /nfs/dbraw/zinc/79/89/42/761798942.db2.gz IUELLUKSNVSHEJ-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CC(C)CC[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001201630601 761800193 /nfs/dbraw/zinc/80/01/93/761800193.db2.gz CMEDNGQKTONHAS-JOCQHMNTSA-N 1 1 197.366 3.543 20 0 AHADMO CCCCC[N@@H+](CCC)[C@H](C)CC ZINC001201725152 761806645 /nfs/dbraw/zinc/80/66/45/761806645.db2.gz HRKJWPKOVSTJRC-GFCCVEGCSA-N 1 1 185.355 3.687 20 0 AHADMO CCCCC[N@@H+](CCC)[C@@H](C)CC ZINC001201725153 761808120 /nfs/dbraw/zinc/80/81/20/761808120.db2.gz HRKJWPKOVSTJRC-LBPRGKRZSA-N 1 1 185.355 3.687 20 0 AHADMO CCCCC[N@H+]1CCC12CCCCC2 ZINC001201725639 761807714 /nfs/dbraw/zinc/80/77/14/761807714.db2.gz SEKVTURDTLGWNO-UHFFFAOYSA-N 1 1 195.350 3.585 20 0 AHADMO CCCCC[N@@H+](CC)C(CC)CC ZINC001201737637 761809643 /nfs/dbraw/zinc/80/96/43/761809643.db2.gz ZISBSXNCORXTCL-UHFFFAOYSA-N 1 1 185.355 3.687 20 0 AHADMO CCCCCC[N@H+]1CCC12CCCC2 ZINC001201742977 761810546 /nfs/dbraw/zinc/81/05/46/761810546.db2.gz DJLHFMHARLROID-UHFFFAOYSA-N 1 1 195.350 3.585 20 0 AHADMO CCCCC[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001201744659 761809863 /nfs/dbraw/zinc/80/98/63/761809863.db2.gz NMOLWUTVPKDZEQ-JOCQHMNTSA-N 1 1 197.366 3.687 20 0 AHADMO CCCCCC[N@H+]1CCCCC12CC2 ZINC001201753966 761811315 /nfs/dbraw/zinc/81/13/15/761811315.db2.gz GXXMXUHRPJCKBX-UHFFFAOYSA-N 1 1 195.350 3.585 20 0 AHADMO CCCCCC[N@@H+](C)C[C@H]1CC1(C)C ZINC001201754113 761809455 /nfs/dbraw/zinc/80/94/55/761809455.db2.gz MKCMPYKCCYJFOP-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CCCCCC[N@@H+](C)C[C@@H]1CC1(C)C ZINC001201754114 761809937 /nfs/dbraw/zinc/80/99/37/761809937.db2.gz MKCMPYKCCYJFOP-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CC[N@@H+](C)CC[C@H](C)CCC=C(C)C ZINC001201975968 761814679 /nfs/dbraw/zinc/81/46/79/761814679.db2.gz LAZXYMRCGHSZRV-CYBMUJFWSA-N 1 1 197.366 3.711 20 0 AHADMO CC[N@@H+](C)CC[C@@H](C)CCC=C(C)C ZINC001201975969 761813026 /nfs/dbraw/zinc/81/30/26/761813026.db2.gz LAZXYMRCGHSZRV-ZDUSSCGKSA-N 1 1 197.366 3.711 20 0 AHADMO CCC[N@@H+](CCC(C)(C)C)[C@H](C)CC ZINC001202055215 761815710 /nfs/dbraw/zinc/81/57/10/761815710.db2.gz DNHFULOECVFBNJ-GFCCVEGCSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[N@@H+](CCC(C)(C)C)[C@@H](C)CC ZINC001202055216 761816166 /nfs/dbraw/zinc/81/61/66/761816166.db2.gz DNHFULOECVFBNJ-LBPRGKRZSA-N 1 1 199.382 3.933 20 0 AHADMO C[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001202055258 761816706 /nfs/dbraw/zinc/81/67/06/761816706.db2.gz FPRWAHFUHTWEDT-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO C[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001202055259 761816100 /nfs/dbraw/zinc/81/61/00/761816100.db2.gz FPRWAHFUHTWEDT-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CCCCC[N@@H+](C)CCC(C)(C)C ZINC001202055545 761815235 /nfs/dbraw/zinc/81/52/35/761815235.db2.gz MKOGVPNKJYPZIH-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO C[C@@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001202079127 761815933 /nfs/dbraw/zinc/81/59/33/761815933.db2.gz XEOBHLXEVOXDRX-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO C[C@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001202079129 761815530 /nfs/dbraw/zinc/81/55/30/761815530.db2.gz XEOBHLXEVOXDRX-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO C[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC001202087184 761815959 /nfs/dbraw/zinc/81/59/59/761815959.db2.gz QTBASDIOYPOMQH-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H]1C[C@@H](C)CC[N@H+]1CCC(C)(C)C ZINC001202087185 761816907 /nfs/dbraw/zinc/81/69/07/761816907.db2.gz QTBASDIOYPOMQH-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC001202087186 761816572 /nfs/dbraw/zinc/81/65/72/761816572.db2.gz QTBASDIOYPOMQH-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@H](C)C1 ZINC001202087187 761815311 /nfs/dbraw/zinc/81/53/11/761815311.db2.gz QTBASDIOYPOMQH-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)[N@@H+](CC)CCC(C)(C)C ZINC001202096191 761816263 /nfs/dbraw/zinc/81/62/63/761816263.db2.gz JFTAAWOFTWTIGL-UHFFFAOYSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[N@@H+](CC1CCCC1)[C@H](C)CC ZINC001202120085 761815161 /nfs/dbraw/zinc/81/51/61/761815161.db2.gz GEZSKZHXBGMPGB-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[N@@H+](CC1CCCC1)[C@@H](C)CC ZINC001202120086 761815836 /nfs/dbraw/zinc/81/58/36/761815836.db2.gz GEZSKZHXBGMPGB-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO CCCC[N@@H+](CCC)CC1CCCC1 ZINC001202166642 761816729 /nfs/dbraw/zinc/81/67/29/761816729.db2.gz FFTNUKDJMPBWHH-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CCC(CC)[N@@H+](CC)CC1CCCC1 ZINC001202177850 761816712 /nfs/dbraw/zinc/81/67/12/761816712.db2.gz BJYVGQNQKXWDLA-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[N@@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC001204422852 761853686 /nfs/dbraw/zinc/85/36/86/761853686.db2.gz RZIQSFIZINIQTR-GFCCVEGCSA-N 1 1 197.366 3.545 20 0 AHADMO CCC[N@@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC001204422853 761853067 /nfs/dbraw/zinc/85/30/67/761853067.db2.gz RZIQSFIZINIQTR-LBPRGKRZSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H](C)C[N@@H+](C)C1CCC(C)CC1 ZINC001204626113 761860892 /nfs/dbraw/zinc/86/08/92/761860892.db2.gz ZIWMRGZKNSSPTR-HIFPTAJRSA-N 1 1 197.366 3.543 20 0 AHADMO CC[C@@H](C)C[N@@H+](C)C1CCC(C)CC1 ZINC001204626114 761860461 /nfs/dbraw/zinc/86/04/61/761860461.db2.gz ZIWMRGZKNSSPTR-PNESKVBLSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@@H+](C)[C@H](C)C(C)(C)C ZINC001204850243 761865738 /nfs/dbraw/zinc/86/57/38/761865738.db2.gz AESYKZDTIWHCRL-GFCCVEGCSA-N 1 1 199.382 3.789 20 0 AHADMO CC(C)CCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC001204850244 761865662 /nfs/dbraw/zinc/86/56/62/761865662.db2.gz AESYKZDTIWHCRL-LBPRGKRZSA-N 1 1 199.382 3.789 20 0 AHADMO CC(C)CCCC[N@H+]1CCCC[C@H]1C ZINC001205099949 761899269 /nfs/dbraw/zinc/89/92/69/761899269.db2.gz ACMINDPBDVHZCD-CYBMUJFWSA-N 1 1 197.366 3.687 20 0 AHADMO CC(C)CCCC[N@H+]1CCCC[C@@H]1C ZINC001205099950 761899411 /nfs/dbraw/zinc/89/94/11/761899411.db2.gz ACMINDPBDVHZCD-ZDUSSCGKSA-N 1 1 197.366 3.687 20 0 AHADMO C[C@H](C[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC001205100074 761899255 /nfs/dbraw/zinc/89/92/55/761899255.db2.gz CWCHFQGWCNJBIH-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H](C[N@H+]1CCCC[C@H]1C)C(C)(C)C ZINC001205100076 761899994 /nfs/dbraw/zinc/89/99/94/761899994.db2.gz CWCHFQGWCNJBIH-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H](C[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC001205100078 761900459 /nfs/dbraw/zinc/90/04/59/761900459.db2.gz CWCHFQGWCNJBIH-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H](C[N@H+]1CCCC[C@H]1C)C(C)(C)C ZINC001205100079 761899611 /nfs/dbraw/zinc/89/96/11/761899611.db2.gz CWCHFQGWCNJBIH-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO CCCC[N@@H+](CC)CC1(C(C)C)CC1 ZINC001205107682 761899163 /nfs/dbraw/zinc/89/91/63/761899163.db2.gz IYUIHLVMJIHAFR-UHFFFAOYSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[N@@H+](CC)CCCCC(C)C ZINC001205107740 761899106 /nfs/dbraw/zinc/89/91/06/761899106.db2.gz JJOGQJVBLSMVFK-UHFFFAOYSA-N 1 1 199.382 3.935 20 0 AHADMO CCC[N@@H+](CC)CCC1CCCCC1 ZINC001207254640 762145179 /nfs/dbraw/zinc/14/51/79/762145179.db2.gz LMPGOARXOOLOCV-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CC[N@@H+](CCC1CCCCC1)C(C)C ZINC001207254882 762154864 /nfs/dbraw/zinc/15/48/64/762154864.db2.gz PHWDENVDPYXDTH-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001207257512 762144919 /nfs/dbraw/zinc/14/49/19/762144919.db2.gz XRBFVIKCVSGHPN-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001207257513 762153925 /nfs/dbraw/zinc/15/39/25/762153925.db2.gz XRBFVIKCVSGHPN-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO C[N@@H+](CCC1CCCCC1)C(C)(C)C ZINC001207262712 762156466 /nfs/dbraw/zinc/15/64/66/762156466.db2.gz RNEZZUZFMQRNDR-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[N@@H+](C)CCCC1CCCCC1 ZINC001207606326 762163799 /nfs/dbraw/zinc/16/37/99/762163799.db2.gz JAOOUWCFLMAWOX-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CC[N@@H+](CCCC1CCCC1)C(C)C ZINC001208086682 762187108 /nfs/dbraw/zinc/18/71/08/762187108.db2.gz RLYGTHQQRGLVDD-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CCC[N@@H+](CC)CCCC1CCCC1 ZINC001208086837 762190838 /nfs/dbraw/zinc/19/08/38/762190838.db2.gz WVZCKLZPWAJHRC-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CCCC[N@@H+](C)CCCC1CCCC1 ZINC001208086880 762185757 /nfs/dbraw/zinc/18/57/57/762185757.db2.gz XVCFLRPMCGLZOE-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CC[C@@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001208088802 762181857 /nfs/dbraw/zinc/18/18/57/762181857.db2.gz QWVHNKMSJFCWII-GFCCVEGCSA-N 1 1 197.366 3.687 20 0 AHADMO CC[C@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001208088803 762188520 /nfs/dbraw/zinc/18/85/20/762188520.db2.gz QWVHNKMSJFCWII-LBPRGKRZSA-N 1 1 197.366 3.687 20 0 AHADMO C[N@@H+](CCCC1CCCC1)C(C)(C)C ZINC001208091129 762191744 /nfs/dbraw/zinc/19/17/44/762191744.db2.gz PEBRLQIZMZFGMD-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC/C=C\CCC[N@H+]1CCCC[C@H]1C ZINC001208128371 762209373 /nfs/dbraw/zinc/20/93/73/762209373.db2.gz CUDKKWGANZBKNM-DSYXLKISSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CCC[N@H+]1CCCC[C@@H]1C ZINC001208128374 762195684 /nfs/dbraw/zinc/19/56/84/762195684.db2.gz CUDKKWGANZBKNM-ZFDPJTLLSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CCC[N@H+](C)CCCCC ZINC001208132330 762198635 /nfs/dbraw/zinc/19/86/35/762198635.db2.gz RTLNBNRWBBGMPK-VURMDHGXSA-N 1 1 197.366 3.855 20 0 AHADMO CC/C=C\CCC[N@H+]1CCCC1(C)C ZINC001208132918 762223193 /nfs/dbraw/zinc/22/31/93/762223193.db2.gz XYAVFAKXDLMQLZ-WAYWQWQTSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CCC[N@H+](CC)CCCC ZINC001208132960 762213093 /nfs/dbraw/zinc/21/30/93/762213093.db2.gz YQZHJZNHHAEBIQ-CLFYSBASSA-N 1 1 197.366 3.855 20 0 AHADMO CC/C=C\CCC[N@H+]1CCC[C@H]1CC ZINC001208136015 762223954 /nfs/dbraw/zinc/22/39/54/762223954.db2.gz OCCJFHCTLYEOLA-CFHLNLSMSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CCC[N@H+]1CCC[C@@H]1CC ZINC001208136016 762220244 /nfs/dbraw/zinc/22/02/44/762220244.db2.gz OCCJFHCTLYEOLA-SZZPACECSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CCC[N@@H+](C)C1CCCC1 ZINC001208136644 762218405 /nfs/dbraw/zinc/21/84/05/762218405.db2.gz WZTNMZUTMSQWLQ-PLNGDYQASA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CCC[N@@H+](C)C(CC)CC ZINC001208137673 762221426 /nfs/dbraw/zinc/22/14/26/762221426.db2.gz IYDRFFOSGKHRGY-HJWRWDBZSA-N 1 1 197.366 3.853 20 0 AHADMO CC/C=C\CCCCC[N@H+](C)CCC ZINC001208187998 762241375 /nfs/dbraw/zinc/24/13/75/762241375.db2.gz DWBPQYLPIALELT-SREVYHEPSA-N 1 1 197.366 3.855 20 0 AHADMO CC/C=C\CCCCC[N@@H+](C)C1CC1 ZINC001208188639 762235608 /nfs/dbraw/zinc/23/56/08/762235608.db2.gz LXOKNKJQELHYHZ-PLNGDYQASA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CCCCC[N@@H+](C)C(C)C ZINC001208188899 762240754 /nfs/dbraw/zinc/24/07/54/762240754.db2.gz PBZILOYBVJUVRJ-SREVYHEPSA-N 1 1 197.366 3.853 20 0 AHADMO CC/C=C\CCCCC[N@H+]1CC[C@H]1C ZINC001208190329 762237650 /nfs/dbraw/zinc/23/76/50/762237650.db2.gz NEPAVSRYANJNLP-DSYXLKISSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CCCCC[N@H+]1CC[C@@H]1C ZINC001208190332 762231821 /nfs/dbraw/zinc/23/18/21/762231821.db2.gz NEPAVSRYANJNLP-ZFDPJTLLSA-N 1 1 195.350 3.607 20 0 AHADMO C[C@H](CC[N@H+]1CC[C@@H]1C)CC(C)(C)C ZINC001208652059 762241533 /nfs/dbraw/zinc/24/15/33/762241533.db2.gz AJNYGGVCDFMZDD-NEPJUHHUSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H](CC[N@H+]1CC[C@H]1C)CC(C)(C)C ZINC001208652060 762233194 /nfs/dbraw/zinc/23/31/94/762233194.db2.gz AJNYGGVCDFMZDD-NWDGAFQWSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H](CC[N@H+]1CC[C@@H]1C)CC(C)(C)C ZINC001208652061 762242115 /nfs/dbraw/zinc/24/21/15/762242115.db2.gz AJNYGGVCDFMZDD-RYUDHWBXSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H](CC[N@H+]1CC[C@H]1C)CC(C)(C)C ZINC001208652062 762238474 /nfs/dbraw/zinc/23/84/74/762238474.db2.gz AJNYGGVCDFMZDD-VXGBXAGGSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@H](CC[N@@H+](C)C1CC1)CC(C)(C)C ZINC001208655664 762242738 /nfs/dbraw/zinc/24/27/38/762242738.db2.gz SDUMWPWNBUWXFU-LLVKDONJSA-N 1 1 197.366 3.543 20 0 AHADMO C[C@@H](CC[N@@H+](C)C1CC1)CC(C)(C)C ZINC001208655665 762231742 /nfs/dbraw/zinc/23/17/42/762231742.db2.gz SDUMWPWNBUWXFU-NSHDSACASA-N 1 1 197.366 3.543 20 0 AHADMO CCC[N@@H+](C)CC[C@@H](C)CC(C)(C)C ZINC001208656102 762235667 /nfs/dbraw/zinc/23/56/67/762235667.db2.gz DAQLFCUZMNGHTI-GFCCVEGCSA-N 1 1 199.382 3.791 20 0 AHADMO CCC[N@@H+](C)CC[C@H](C)CC(C)(C)C ZINC001208656106 762242412 /nfs/dbraw/zinc/24/24/12/762242412.db2.gz DAQLFCUZMNGHTI-LBPRGKRZSA-N 1 1 199.382 3.791 20 0 AHADMO CC(C)[N@H+](C)CC[C@@H](C)CC(C)(C)C ZINC001208657743 762233751 /nfs/dbraw/zinc/23/37/51/762233751.db2.gz MMHLVAZCVAHZQM-GFCCVEGCSA-N 1 1 199.382 3.789 20 0 AHADMO CC(C)[N@H+](C)CC[C@H](C)CC(C)(C)C ZINC001208657749 762233631 /nfs/dbraw/zinc/23/36/31/762233631.db2.gz MMHLVAZCVAHZQM-LBPRGKRZSA-N 1 1 199.382 3.789 20 0 AHADMO CCCCC[N@@H+](C)CCC1CCCC1 ZINC001208690284 762252807 /nfs/dbraw/zinc/25/28/07/762252807.db2.gz FWSNONZNUUYFLN-UHFFFAOYSA-N 1 1 197.366 3.689 20 0 AHADMO CCC(CC)[N@@H+](C)CCC1CCCC1 ZINC001208694070 762255103 /nfs/dbraw/zinc/25/51/03/762255103.db2.gz JVSVKDFDVKUHFA-UHFFFAOYSA-N 1 1 197.366 3.687 20 0 AHADMO CC/C=C\CC[N@H+](CCC)[C@H](C)CC ZINC001208725627 762245177 /nfs/dbraw/zinc/24/51/77/762245177.db2.gz PZHNKNYKZADZGW-LJTDUEICSA-N 1 1 197.366 3.853 20 0 AHADMO CC/C=C\CC[N@H+](CCC)[C@@H](C)CC ZINC001208725628 762257942 /nfs/dbraw/zinc/25/79/42/762257942.db2.gz PZHNKNYKZADZGW-YXVBKTCISA-N 1 1 197.366 3.853 20 0 AHADMO CC/C=C\CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC001208725928 762246713 /nfs/dbraw/zinc/24/67/13/762246713.db2.gz UTUOOEQPWXWYSS-QXXLOIIESA-N 1 1 195.350 3.606 20 0 AHADMO CC/C=C\CC[N@H+](CCC)CCCC ZINC001208728020 762262133 /nfs/dbraw/zinc/26/21/33/762262133.db2.gz MSRLDZWDDLLLCA-CLFYSBASSA-N 1 1 197.366 3.855 20 0 AHADMO CC/C=C\CC[N@H+]1CCCCC[C@H]1C ZINC001208728623 762269213 /nfs/dbraw/zinc/26/92/13/762269213.db2.gz VJZRNHIQUPIDSH-DSYXLKISSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CC[N@H+]1CCCCC[C@@H]1C ZINC001208728624 762267582 /nfs/dbraw/zinc/26/75/82/762267582.db2.gz VJZRNHIQUPIDSH-ZFDPJTLLSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CC[N@@H+](CC)C(CC)CC ZINC001208729551 762263784 /nfs/dbraw/zinc/26/37/84/762263784.db2.gz BMVDMLWDSPQSIG-KTKRTIGZSA-N 1 1 197.366 3.853 20 0 AHADMO CC/C=C\CC[N@H+]1CCCC[C@H]1CC ZINC001208730456 762267796 /nfs/dbraw/zinc/26/77/96/762267796.db2.gz VCFUVUHAAULTBO-CFHLNLSMSA-N 1 1 195.350 3.607 20 0 AHADMO CC/C=C\CC[N@H+]1CCCC[C@@H]1CC ZINC001208730457 762264286 /nfs/dbraw/zinc/26/42/86/762264286.db2.gz VCFUVUHAAULTBO-SZZPACECSA-N 1 1 195.350 3.607 20 0 AHADMO CCC[N@@H+](CCCC(C)C)[C@H](C)CC ZINC001208733482 762260891 /nfs/dbraw/zinc/26/08/91/762260891.db2.gz KFDOKEFHHWSALB-CYBMUJFWSA-N 1 1 199.382 3.933 20 0 AHADMO CCC[N@@H+](CCCC(C)C)[C@@H](C)CC ZINC001208733483 762266761 /nfs/dbraw/zinc/26/67/61/762266761.db2.gz KFDOKEFHHWSALB-ZDUSSCGKSA-N 1 1 199.382 3.933 20 0 AHADMO CCCCC[N@@H+](C)CCCC(C)C ZINC001208734169 762262651 /nfs/dbraw/zinc/26/26/51/762262651.db2.gz PZCIUOYORRWXTP-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CC(C)CCC[N@H+]1CCCC[C@@H](C)C1 ZINC001208734204 762263107 /nfs/dbraw/zinc/26/31/07/762263107.db2.gz RNCALIKPUUUKSX-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CC(C)CCC[N@H+]1CCCC[C@H](C)C1 ZINC001208734205 762268563 /nfs/dbraw/zinc/26/85/63/762268563.db2.gz RNCALIKPUUUKSX-ZDUSSCGKSA-N 1 1 197.366 3.545 20 0 AHADMO CCCC[N@@H+](CC)CCCC(C)C ZINC001208734322 762262674 /nfs/dbraw/zinc/26/26/74/762262674.db2.gz WHCVAMQJLXYRBJ-UHFFFAOYSA-N 1 1 185.355 3.545 20 0 AHADMO CC/C=C\CC[N@H+](CCC)CC(C)C ZINC001208734492 762260748 /nfs/dbraw/zinc/26/07/48/762260748.db2.gz OZFLSCVHYPTRHW-FPLPWBNLSA-N 1 1 197.366 3.711 20 0 AHADMO CC(C)CCC[N@H+]1CCCCC[C@H]1C ZINC001208734844 762265140 /nfs/dbraw/zinc/26/51/40/762265140.db2.gz FISOYVVINXCCRY-CYBMUJFWSA-N 1 1 197.366 3.687 20 0 AHADMO CC(C)CCC[N@H+]1CCCCC[C@@H]1C ZINC001208734845 762262097 /nfs/dbraw/zinc/26/20/97/762262097.db2.gz FISOYVVINXCCRY-ZDUSSCGKSA-N 1 1 197.366 3.687 20 0 AHADMO CC(C)CCC[N@H+]1CCC[C@@H](C)CC1 ZINC001208735396 762267671 /nfs/dbraw/zinc/26/76/71/762267671.db2.gz YYEBQJPHKJSWJI-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CC(C)CCC[N@H+]1CCC[C@H](C)CC1 ZINC001208735397 762264133 /nfs/dbraw/zinc/26/41/33/762264133.db2.gz YYEBQJPHKJSWJI-ZDUSSCGKSA-N 1 1 197.366 3.545 20 0 AHADMO CC(C)CCC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001208736130 762266670 /nfs/dbraw/zinc/26/66/70/762266670.db2.gz YMYLHGCEACDWTR-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001208736132 762263386 /nfs/dbraw/zinc/26/33/86/762263386.db2.gz YMYLHGCEACDWTR-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1CCC[C@H](C)[C@H]1C ZINC001208736133 762268659 /nfs/dbraw/zinc/26/86/59/762268659.db2.gz YMYLHGCEACDWTR-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC001208736134 762268327 /nfs/dbraw/zinc/26/83/27/762268327.db2.gz YMYLHGCEACDWTR-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001208736155 762260183 /nfs/dbraw/zinc/26/01/83/762260183.db2.gz ZIVRGEYCZSRQPH-CHWSQXEVSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001208736156 762262878 /nfs/dbraw/zinc/26/28/78/762262878.db2.gz ZIVRGEYCZSRQPH-OLZOCXBDSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1CC[C@H](C)C[C@H]1C ZINC001208736157 762268945 /nfs/dbraw/zinc/26/89/45/762268945.db2.gz ZIVRGEYCZSRQPH-QWHCGFSZSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1CC[C@H](C)C[C@@H]1C ZINC001208736158 762261901 /nfs/dbraw/zinc/26/19/01/762261901.db2.gz ZIVRGEYCZSRQPH-STQMWFEESA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1CCC[C@@H]1C(C)C ZINC001208736501 762260983 /nfs/dbraw/zinc/26/09/83/762260983.db2.gz INTFIXDMWXSLRF-CYBMUJFWSA-N 1 1 197.366 3.543 20 0 AHADMO CC(C)CCC[N@H+]1CCC[C@H]1C(C)C ZINC001208736502 762263285 /nfs/dbraw/zinc/26/32/85/762263285.db2.gz INTFIXDMWXSLRF-ZDUSSCGKSA-N 1 1 197.366 3.543 20 0 AHADMO CCC(CC)[N@@H+](CC)CCCC(C)C ZINC001208736666 762260030 /nfs/dbraw/zinc/26/00/30/762260030.db2.gz MCUGBVCRNPGOKR-UHFFFAOYSA-N 1 1 199.382 3.933 20 0 AHADMO CC[C@@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001208737138 762262618 /nfs/dbraw/zinc/26/26/18/762262618.db2.gz VIZWJKYGDNLWDP-CYBMUJFWSA-N 1 1 197.366 3.545 20 0 AHADMO CC[C@H]1CCC[N@@H+](CCCC(C)C)C1 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