smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@@H+](C)C1CCCCCC1 140710150 537994847 /nfs/dbraw/zinc/99/48/47/537994847.db2.gz GNEQOZYNJCDPPU-UHFFFAOYSA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@H](C)[N@H+]1CC2(CCC2)C[C@@H]1C 145780388 537998424 /nfs/dbraw/zinc/99/84/24/537998424.db2.gz MWFFCGQGVPJEAA-QWRGUYRKSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[C@H](C)C[N@@H+](CC)CCC 145872058 537998886 /nfs/dbraw/zinc/99/88/86/537998886.db2.gz HIVBJNQSQRJTED-NSHDSACASA-N 1 1 171.328 3.155 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](CC)CCC 145871825 537999079 /nfs/dbraw/zinc/99/90/79/537999079.db2.gz HIVBJNQSQRJTED-LLVKDONJSA-N 1 1 171.328 3.155 10 0 AGAEMO CC[C@@H](C)[N@H+]1CC2(CCC2)C[C@@H]1C 145780195 538000760 /nfs/dbraw/zinc/00/07/60/538000760.db2.gz MWFFCGQGVPJEAA-MNOVXSKESA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)CC(C)C 149206934 538006798 /nfs/dbraw/zinc/00/67/98/538006798.db2.gz PGCXQZIIBHGLIC-LLVKDONJSA-N 1 1 171.328 3.010 10 0 AGAEMO CC1=CC[N@@H+](CCC(C)(C)C)CC1 149920113 538007223 /nfs/dbraw/zinc/00/72/23/538007223.db2.gz AUEPTOGYXWXPEZ-UHFFFAOYSA-N 1 1 181.323 3.075 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)CC(C)C 149207161 538010505 /nfs/dbraw/zinc/01/05/05/538010505.db2.gz PGCXQZIIBHGLIC-NSHDSACASA-N 1 1 171.328 3.010 10 0 AGAEMO CCCc1[nH+]ccn1[C@@H]1C=CCCC1 162865613 538076667 /nfs/dbraw/zinc/07/66/67/538076667.db2.gz DLEVAIAVWILPIV-LLVKDONJSA-N 1 1 190.290 3.117 10 0 AGAEMO CCCc1[nH+]ccn1[C@H]1C=CCCC1 162865485 538077796 /nfs/dbraw/zinc/07/77/96/538077796.db2.gz DLEVAIAVWILPIV-NSHDSACASA-N 1 1 190.290 3.117 10 0 AGAEMO CC(C)CC[N@H+]1CC[C@H](C(C)C)C1 200357398 538183396 /nfs/dbraw/zinc/18/33/96/538183396.db2.gz DTKJNQIGCMKUIP-LBPRGKRZSA-N 1 1 183.339 3.010 10 0 AGAEMO CC(C)CC[N@H+]1CC[C@@H](C(C)C)C1 200357431 538183986 /nfs/dbraw/zinc/18/39/86/538183986.db2.gz DTKJNQIGCMKUIP-GFCCVEGCSA-N 1 1 183.339 3.010 10 0 AGAEMO Cc1[nH+]ccn1CC1CCCCCC1 201326743 538185029 /nfs/dbraw/zinc/18/50/29/538185029.db2.gz AHFHHAGALWGVBS-UHFFFAOYSA-N 1 1 192.306 3.162 10 0 AGAEMO CC[N@@H+](C)Cc1cc(C)c(C)cc1C 259244407 538292042 /nfs/dbraw/zinc/29/20/42/538292042.db2.gz ZILARYXCVVQSRP-UHFFFAOYSA-N 1 1 191.318 3.064 10 0 AGAEMO CCCCC[C@@H]1CCC[N@H+]1CC 379313281 538338334 /nfs/dbraw/zinc/33/83/34/538338334.db2.gz GHTPPRSJYUNXDZ-LLVKDONJSA-N 1 1 169.312 3.051 10 0 AGAEMO CCCCC[C@H]1CCC[N@H+]1CC 379313282 538338674 /nfs/dbraw/zinc/33/86/74/538338674.db2.gz GHTPPRSJYUNXDZ-NSHDSACASA-N 1 1 169.312 3.051 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)[C@@H](C)CC 379329678 538349930 /nfs/dbraw/zinc/34/99/30/538349930.db2.gz VULRXMJJFHUQRV-MNOVXSKESA-N 1 1 171.328 3.153 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)[C@H](C)CC 379329677 538350163 /nfs/dbraw/zinc/35/01/63/538350163.db2.gz VULRXMJJFHUQRV-GHMZBOCLSA-N 1 1 171.328 3.153 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)[C@H](C)CC 379329680 538350753 /nfs/dbraw/zinc/35/07/53/538350753.db2.gz VULRXMJJFHUQRV-WDEREUQCSA-N 1 1 171.328 3.153 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)[C@@H](C)CC 379329679 538351233 /nfs/dbraw/zinc/35/12/33/538351233.db2.gz VULRXMJJFHUQRV-QWRGUYRKSA-N 1 1 171.328 3.153 10 0 AGAEMO CCC(C)(C)CC[N@H+]1[C@@H](C)C[C@H]1C 379356879 538359976 /nfs/dbraw/zinc/35/99/76/538359976.db2.gz PRLJIRMPBUIQQR-PHIMTYICSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(C)(C)CC[N@@H+]1CC=CCC1 379353826 538360465 /nfs/dbraw/zinc/36/04/65/538360465.db2.gz GMBUCSKJAPPQFM-UHFFFAOYSA-N 1 1 181.323 3.075 10 0 AGAEMO C[N@@H+](CCCCF)C1CCCCC1 379361955 538362223 /nfs/dbraw/zinc/36/22/23/538362223.db2.gz GCWIBAIUXDYFPQ-UHFFFAOYSA-N 1 1 187.302 3.001 10 0 AGAEMO C[N@@H+](CCCCCF)CC(C)(C)C 379361699 538365171 /nfs/dbraw/zinc/36/51/71/538365171.db2.gz FVBRWTSIJIADCC-UHFFFAOYSA-N 1 1 189.318 3.104 10 0 AGAEMO CCCCC[N@@H+](C)Cc1cccs1 379362538 538365301 /nfs/dbraw/zinc/36/53/01/538365301.db2.gz HVDGTYVOFICZKM-UHFFFAOYSA-N 1 1 197.347 3.370 10 0 AGAEMO CCC[C@H](C)C[N@@H+](CC)CC1CC1 379375142 538370877 /nfs/dbraw/zinc/37/08/77/538370877.db2.gz OOVABQGJSKVZRC-NSHDSACASA-N 1 1 183.339 3.155 10 0 AGAEMO CC(C)CC[N@@H+](C)CCCCCF 379378506 538370997 /nfs/dbraw/zinc/37/09/97/538370997.db2.gz AJXLPMHWKZZFOR-UHFFFAOYSA-N 1 1 189.318 3.104 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](CC)CC1CC1 379375141 538371773 /nfs/dbraw/zinc/37/17/73/538371773.db2.gz OOVABQGJSKVZRC-LLVKDONJSA-N 1 1 183.339 3.155 10 0 AGAEMO CC/C=C/CC[N@H+](CC)CCCC 379380103 538375889 /nfs/dbraw/zinc/37/58/89/538375889.db2.gz BQDUNQMENGIIJE-VQHVLOKHSA-N 1 1 183.339 3.465 10 0 AGAEMO CC/C=C\CC[N@H+](CC)CCCC 379380101 538375922 /nfs/dbraw/zinc/37/59/22/538375922.db2.gz BQDUNQMENGIIJE-CLFYSBASSA-N 1 1 183.339 3.465 10 0 AGAEMO CCCCC[N@H+]1CC[C@H](C(C)C)C1 379382402 538376946 /nfs/dbraw/zinc/37/69/46/538376946.db2.gz IUAMNDXMIYUFNV-LBPRGKRZSA-N 1 1 183.339 3.155 10 0 AGAEMO CCCCC[N@H+]1CC[C@@H](C(C)C)C1 379382401 538379611 /nfs/dbraw/zinc/37/96/11/538379611.db2.gz IUAMNDXMIYUFNV-GFCCVEGCSA-N 1 1 183.339 3.155 10 0 AGAEMO CC(C)CC[N@@H+](C)CC1(C)CCC1 379388154 538381344 /nfs/dbraw/zinc/38/13/44/538381344.db2.gz IZBLTJNVQUYCIM-UHFFFAOYSA-N 1 1 183.339 3.155 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)CC1(C)CCC1 379388482 538383278 /nfs/dbraw/zinc/38/32/78/538383278.db2.gz JLQKEKLNUBZBIB-NSHDSACASA-N 1 1 183.339 3.155 10 0 AGAEMO CC(C)C[C@H](C)C[N@@H+](C)CC1CC1 379386644 538383332 /nfs/dbraw/zinc/38/33/32/538383332.db2.gz YMGOIUMMRQESGR-NSHDSACASA-N 1 1 183.339 3.010 10 0 AGAEMO CC(C)C[C@@H](C)C[N@@H+](C)CC1CC1 379386643 538383368 /nfs/dbraw/zinc/38/33/68/538383368.db2.gz YMGOIUMMRQESGR-LLVKDONJSA-N 1 1 183.339 3.010 10 0 AGAEMO CC[C@@H](C)C[N@@H+](C)CC1(C)CCC1 379388481 538383392 /nfs/dbraw/zinc/38/33/92/538383392.db2.gz JLQKEKLNUBZBIB-LLVKDONJSA-N 1 1 183.339 3.155 10 0 AGAEMO CC1=CC[N@@H+](CCCC(C)C)CC1 379387602 538383506 /nfs/dbraw/zinc/38/35/06/538383506.db2.gz HULQMBWJYMDZER-UHFFFAOYSA-N 1 1 181.323 3.075 10 0 AGAEMO CC[C@@H]1CCC[N@H+]1CCCCCF 379396563 538388575 /nfs/dbraw/zinc/38/85/75/538388575.db2.gz HXFGITYDOFZEIC-LLVKDONJSA-N 1 1 187.302 3.001 10 0 AGAEMO CC[C@H]1CCC[N@H+]1CCCCCF 379396564 538391156 /nfs/dbraw/zinc/39/11/56/538391156.db2.gz HXFGITYDOFZEIC-NSHDSACASA-N 1 1 187.302 3.001 10 0 AGAEMO CC(C)=CC[N@H+](C)[C@H](C)C1(C)CC1 379400021 538392531 /nfs/dbraw/zinc/39/25/31/538392531.db2.gz IBJSMBLLCJDLKJ-LLVKDONJSA-N 1 1 181.323 3.073 10 0 AGAEMO CC(C)=CC[N@H+](C)[C@@H](C)C1(C)CC1 379400022 538394105 /nfs/dbraw/zinc/39/41/05/538394105.db2.gz IBJSMBLLCJDLKJ-NSHDSACASA-N 1 1 181.323 3.073 10 0 AGAEMO CCC[C@@H](C)C[N@@H+]1CC=C(C)CC1 379413409 538406032 /nfs/dbraw/zinc/40/60/32/538406032.db2.gz LVXZAWCVCMSASZ-GFCCVEGCSA-N 1 1 181.323 3.075 10 0 AGAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@H]1CC 379412180 538406396 /nfs/dbraw/zinc/40/63/96/538406396.db2.gz JRXOIFCWDMBJQA-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CC/C=C\CC[N@H+]1CCCC1(C)C 379413588 538406660 /nfs/dbraw/zinc/40/66/60/538406660.db2.gz MBBQMMVCBCFMPC-WAYWQWQTSA-N 1 1 181.323 3.217 10 0 AGAEMO C[N@@H+](CCC1CC1)C1(C)CCCC1 379414731 538407051 /nfs/dbraw/zinc/40/70/51/538407051.db2.gz OPYJLFPAFAPRLD-UHFFFAOYSA-N 1 1 181.323 3.051 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H]1CC 379412220 538407073 /nfs/dbraw/zinc/40/70/73/538407073.db2.gz JRXOIFCWDMBJQA-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CC/C=C/CC[N@H+]1CCCC1(C)C 379413587 538407120 /nfs/dbraw/zinc/40/71/20/538407120.db2.gz MBBQMMVCBCFMPC-AATRIKPKSA-N 1 1 181.323 3.217 10 0 AGAEMO CCC[C@@H](C)C[N@H+]1CCC[C@H]1CC 379412221 538407137 /nfs/dbraw/zinc/40/71/37/538407137.db2.gz JRXOIFCWDMBJQA-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@H](C)C[N@@H+]1CC=C(C)CC1 379413410 538407183 /nfs/dbraw/zinc/40/71/83/538407183.db2.gz LVXZAWCVCMSASZ-LBPRGKRZSA-N 1 1 181.323 3.075 10 0 AGAEMO CC(C)CC[N@@H+](C)C1(C)CCCC1 379414185 538407456 /nfs/dbraw/zinc/40/74/56/538407456.db2.gz NMTULAPXPMALCO-UHFFFAOYSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CCC[C@H]1CC 379412219 538407618 /nfs/dbraw/zinc/40/76/18/538407618.db2.gz JRXOIFCWDMBJQA-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@@H+]1CC(C)=C[C@H](C)C1 379418152 538408532 /nfs/dbraw/zinc/40/85/32/538408532.db2.gz VRMLOGZOIMIFKT-NSHDSACASA-N 1 1 181.323 3.075 10 0 AGAEMO CCCCC[N@@H+]1CC(C)=C[C@@H](C)C1 379418151 538408944 /nfs/dbraw/zinc/40/89/44/538408944.db2.gz VRMLOGZOIMIFKT-LLVKDONJSA-N 1 1 181.323 3.075 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H]1C 379416435 538409056 /nfs/dbraw/zinc/40/90/56/538409056.db2.gz RTDFRVSDGRESSF-QJPTWQEYSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H]1C 379416436 538409324 /nfs/dbraw/zinc/40/93/24/538409324.db2.gz RTDFRVSDGRESSF-SDDRHHMPSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H]1C 379416437 538409861 /nfs/dbraw/zinc/40/98/61/538409861.db2.gz RTDFRVSDGRESSF-SRVKXCTJSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H]1C 379416438 538410237 /nfs/dbraw/zinc/41/02/37/538410237.db2.gz RTDFRVSDGRESSF-TUAOUCFPSA-N 1 1 183.339 3.153 10 0 AGAEMO CCCC[N@@H+](C)C[C@@H]1CC=CCC1 388216991 538430058 /nfs/dbraw/zinc/43/00/58/538430058.db2.gz GSMZSJQYWOSTLJ-GFCCVEGCSA-N 1 1 181.323 3.075 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)C1CCCC1 388268599 538430297 /nfs/dbraw/zinc/43/02/97/538430297.db2.gz GHBJUCJIWKEXJN-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)C1CCCC1 388268598 538430420 /nfs/dbraw/zinc/43/04/20/538430420.db2.gz GHBJUCJIWKEXJN-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)[C@H](C)C1CC1 388271687 538431209 /nfs/dbraw/zinc/43/12/09/538431209.db2.gz HHZUSDGQOHANJY-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO CCCC[N@@H+](C)C[C@H]1CC=CCC1 388216992 538430456 /nfs/dbraw/zinc/43/04/56/538430456.db2.gz GSMZSJQYWOSTLJ-LBPRGKRZSA-N 1 1 181.323 3.075 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](CCC)C1CC1 388244649 538430538 /nfs/dbraw/zinc/43/05/38/538430538.db2.gz SGBXXDXIBDITNU-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@H](C)C[N@@H+](CCC)C1CC1 388244650 538430674 /nfs/dbraw/zinc/43/06/74/538430674.db2.gz SGBXXDXIBDITNU-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@@H+](CC)CC1CCC1 388333361 538431420 /nfs/dbraw/zinc/43/14/20/538431420.db2.gz GGCQRGPATGPXKD-UHFFFAOYSA-N 1 1 183.339 3.299 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)[C@@H](C)C1CC1 388271686 538430997 /nfs/dbraw/zinc/43/09/97/538430997.db2.gz HHZUSDGQOHANJY-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)[C@H](C)C1CC1 388271684 538431159 /nfs/dbraw/zinc/43/11/59/538431159.db2.gz HHZUSDGQOHANJY-GHMZBOCLSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)[C@@H](C)C1CC1 388271685 538431251 /nfs/dbraw/zinc/43/12/51/538431251.db2.gz HHZUSDGQOHANJY-MNOVXSKESA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 388624694 538435253 /nfs/dbraw/zinc/43/52/53/538435253.db2.gz IPUQGGLOCOVCBT-SDDRHHMPSA-N 1 1 183.339 3.010 10 0 AGAEMO CCC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 388624696 538435281 /nfs/dbraw/zinc/43/52/81/538435281.db2.gz IPUQGGLOCOVCBT-UTUOFQBUSA-N 1 1 183.339 3.010 10 0 AGAEMO CC[N@@H+](C)CCCC1CCCCC1 388883114 538438129 /nfs/dbraw/zinc/43/81/29/538438129.db2.gz JGOJDMXXDUDHCW-UHFFFAOYSA-N 1 1 183.339 3.299 10 0 AGAEMO C[C@H]1C[C@@H](C)[N@H+]1CCCC(C)(C)C 388887527 538438204 /nfs/dbraw/zinc/43/82/04/538438204.db2.gz KLGFITPOLYTQOH-PHIMTYICSA-N 1 1 183.339 3.295 10 0 AGAEMO CC(C)[C@@H](C)[N@@H+](C)CCCCCF 388859470 538438425 /nfs/dbraw/zinc/43/84/25/538438425.db2.gz DMKJNILTMJQHQJ-LLVKDONJSA-N 1 1 189.318 3.103 10 0 AGAEMO CC[C@@H](C)[N@@H+](CC)Cc1ccccc1 144355826 541307117 /nfs/dbraw/zinc/30/71/17/541307117.db2.gz WKWZOQWIFCGATG-GFCCVEGCSA-N 1 1 191.318 3.307 10 0 AGAEMO CC[C@H](C)[N@@H+](CC)Cc1ccccc1 144356006 541307865 /nfs/dbraw/zinc/30/78/65/541307865.db2.gz WKWZOQWIFCGATG-LBPRGKRZSA-N 1 1 191.318 3.307 10 0 AGAEMO C[C@H]1CCC[N@@H+](CC(C)(C)C)[C@H]1C 306337286 757061717 /nfs/dbraw/zinc/06/17/17/757061717.db2.gz HLLATZLTQRODAV-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)C)[C@@H]1C 306337283 757061908 /nfs/dbraw/zinc/06/19/08/757061908.db2.gz HLLATZLTQRODAV-GHMZBOCLSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@H]1[C@H](C)CCC[N@H+]1CC(C)(C)C 306337284 757062173 /nfs/dbraw/zinc/06/21/73/757062173.db2.gz HLLATZLTQRODAV-MNOVXSKESA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@H]1CCC[N@@H+](CC(C)(C)C)[C@@H]1C 306342389 757062256 /nfs/dbraw/zinc/06/22/56/757062256.db2.gz HLLATZLTQRODAV-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO Cc1cc[nH+]c(C)c1NCC(C)(C)C 306414355 757063594 /nfs/dbraw/zinc/06/35/94/757063594.db2.gz WOKZWEKCEOVLJZ-UHFFFAOYSA-N 1 1 192.306 3.156 10 0 AGAEMO CC[C@H](C)C[N@H+]1CC[C@H](C)C[C@@H]1C 306415234 757065082 /nfs/dbraw/zinc/06/50/82/757065082.db2.gz PSCRKUVFKBRZGY-SRVKXCTJSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@@H]1CCCCC[N@H+]1CC(C)(C)C 306788783 757074286 /nfs/dbraw/zinc/07/42/86/757074286.db2.gz OXDPEHZWOOCSCD-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO C[C@H]1CCCCC[N@H+]1CC(C)(C)C 306788784 757074615 /nfs/dbraw/zinc/07/46/15/757074615.db2.gz OXDPEHZWOOCSCD-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 306756831 757075990 /nfs/dbraw/zinc/07/59/90/757075990.db2.gz MMXIEKPITIPFLP-LLVKDONJSA-N 1 1 183.339 3.155 10 0 AGAEMO CC[C@H]1CCC[N@@H+](CC(C)(C)C)C1 306756832 757076576 /nfs/dbraw/zinc/07/65/76/757076576.db2.gz MMXIEKPITIPFLP-NSHDSACASA-N 1 1 183.339 3.155 10 0 AGAEMO CCC[C@H](C)[N@H+]1C[C@H]2CCCC[C@H]21 306976211 757082374 /nfs/dbraw/zinc/08/23/74/757082374.db2.gz AEVSSLBHAZOWIT-QJPTWQEYSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[C@@H](C)[N@H+]1C[C@H]2CCCC[C@H]21 306976202 757082707 /nfs/dbraw/zinc/08/27/07/757082707.db2.gz AEVSSLBHAZOWIT-IJLUTSLNSA-N 1 1 181.323 3.049 10 0 AGAEMO CC1CCC([N@@H+]2CCC[C@H]2C)CC1 307529415 757093782 /nfs/dbraw/zinc/09/37/82/757093782.db2.gz LNWIQTSLLZAZGJ-MOENNCHZSA-N 1 1 181.323 3.049 10 0 AGAEMO CCCCC[N@H+]1CC[C@H](C)C[C@@H]1C 308173981 757101247 /nfs/dbraw/zinc/10/12/47/757101247.db2.gz CMVKALLZDRCBAX-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CC(C)[N@@H+](CC1CC1)CC(C)(C)C 308132777 757103187 /nfs/dbraw/zinc/10/31/87/757103187.db2.gz CCJDJKUIOLBKFJ-UHFFFAOYSA-N 1 1 183.339 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/nfs/dbraw/zinc/77/44/69/761774469.db2.gz KRRZGXBQBYAMCW-UNXYVOJBSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC(CC)C[N@H+]1CCC12CCCC2 1201523676 761774803 /nfs/dbraw/zinc/77/48/03/761774803.db2.gz UNIYOHRERNIQAT-UHFFFAOYSA-N 1 1 195.350 3.441 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)C[C@H]1CC1(C)C 1201516291 761775138 /nfs/dbraw/zinc/77/51/38/761775138.db2.gz VYYPWQIKGOETRN-WDEREUQCSA-N 1 1 183.339 3.010 10 0 AGAEMO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CC1(C)C 1201516288 761775570 /nfs/dbraw/zinc/77/55/70/761775570.db2.gz VYYPWQIKGOETRN-MNOVXSKESA-N 1 1 183.339 3.010 10 0 AGAEMO CC[C@@H](C)C[N@@H+](C)C[C@H]1CC1(C)C 1201516286 761775757 /nfs/dbraw/zinc/77/57/57/761775757.db2.gz VYYPWQIKGOETRN-GHMZBOCLSA-N 1 1 183.339 3.010 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)C[C@@H]1CC1(C)C 1201516289 761777009 /nfs/dbraw/zinc/77/70/09/761777009.db2.gz VYYPWQIKGOETRN-QWRGUYRKSA-N 1 1 183.339 3.010 10 0 AGAEMO CCC(CC)C[N@@H+](C)CC1CCC1 1201531220 761777172 /nfs/dbraw/zinc/77/71/72/761777172.db2.gz IVGUQNFZRKIJFP-UHFFFAOYSA-N 1 1 183.339 3.155 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)C1CC(C)C1 1201538701 761777639 /nfs/dbraw/zinc/77/76/39/761777639.db2.gz KRRZGXBQBYAMCW-VOMCLLRMSA-N 1 1 183.339 3.153 10 0 AGAEMO CCCC[C@H](CC)C[N@@H+](C)CCF 1201572636 761780049 /nfs/dbraw/zinc/78/00/49/761780049.db2.gz SNXSYYRZOPXYRE-NSHDSACASA-N 1 1 189.318 3.104 10 0 AGAEMO CCCC[C@H](CC)C[N@H+]1CC[C@H]1C 1201562497 761780794 /nfs/dbraw/zinc/78/07/94/761780794.db2.gz DNUCUSRUKAQYDG-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CCCC12CC2 1201539546 761780859 /nfs/dbraw/zinc/78/08/59/761780859.db2.gz WRMHKTYUTGQFQV-NSHDSACASA-N 1 1 181.323 3.051 10 0 AGAEMO CCCC[C@@H](CC)C[N@H+]1CC[C@@H]1C 1201562499 761781127 /nfs/dbraw/zinc/78/11/27/761781127.db2.gz DNUCUSRUKAQYDG-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCC[C@@H](CC)C[N@@H+](C)CCF 1201572635 761781319 /nfs/dbraw/zinc/78/13/19/761781319.db2.gz SNXSYYRZOPXYRE-LLVKDONJSA-N 1 1 189.318 3.104 10 0 AGAEMO CCCC[C@H](CC)C[N@H+]1CC[C@@H]1C 1201562500 761782129 /nfs/dbraw/zinc/78/21/29/761782129.db2.gz DNUCUSRUKAQYDG-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCC[C@@H](CC)C[N@H+]1CC[C@H]1C 1201562502 761782733 /nfs/dbraw/zinc/78/27/33/761782733.db2.gz DNUCUSRUKAQYDG-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@@H](C)C[N@H+]1CCCC12CC2 1201539544 761783518 /nfs/dbraw/zinc/78/35/18/761783518.db2.gz WRMHKTYUTGQFQV-LLVKDONJSA-N 1 1 181.323 3.051 10 0 AGAEMO CCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 1201643383 761801484 /nfs/dbraw/zinc/80/14/84/761801484.db2.gz IKDZGNIQDWRKCZ-NWDGAFQWSA-N 1 1 181.323 3.051 10 0 AGAEMO CCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 1201714816 761806482 /nfs/dbraw/zinc/80/64/82/761806482.db2.gz DIEJVTVRPNUMEH-STQMWFEESA-N 1 1 195.350 3.441 10 0 AGAEMO CCCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 1201714815 761807196 /nfs/dbraw/zinc/80/71/96/761807196.db2.gz DIEJVTVRPNUMEH-QWHCGFSZSA-N 1 1 195.350 3.441 10 0 AGAEMO CCCCC[N@@H+](C)C[C@H]1CC1(C)C 1201737595 761809502 /nfs/dbraw/zinc/80/95/02/761809502.db2.gz WOZHTSRRNUOELV-LLVKDONJSA-N 1 1 183.339 3.155 10 0 AGAEMO CCCCC[N@@H+](C)C[C@@H]1CC1(C)C 1201737596 761810395 /nfs/dbraw/zinc/81/03/95/761810395.db2.gz WOZHTSRRNUOELV-NSHDSACASA-N 1 1 183.339 3.155 10 0 AGAEMO CCCCCC[N@@H+](C)C1CC(C)C1 1201743622 761811691 /nfs/dbraw/zinc/81/16/91/761811691.db2.gz WAZVTOHKZNUHSI-UHFFFAOYSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCCC[N@H+]1CCC2(CC2)C1 1201746171 761811750 /nfs/dbraw/zinc/81/17/50/761811750.db2.gz AOSQFPMLBBQOGM-UHFFFAOYSA-N 1 1 181.323 3.053 10 0 AGAEMO C1CC[C@@H]2[C@@H](C1)CCC[N@@H+]2CC1CC1 1201943001 761812760 /nfs/dbraw/zinc/81/27/60/761812760.db2.gz ZGOSXQGDIRJHAC-QWHCGFSZSA-N 1 1 193.334 3.051 10 0 AGAEMO CC(C)(C)CC[N@H+]1CCC12CCCC2 1202065522 761816516 /nfs/dbraw/zinc/81/65/16/761816516.db2.gz QXNQWUVTAYFORK-UHFFFAOYSA-N 1 1 195.350 3.441 10 0 AGAEMO C[C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 1202166422 761816815 /nfs/dbraw/zinc/81/68/15/761816815.db2.gz CXOZMYBGGCOCMV-VXGBXAGGSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@@H]1CC[N@H+]1CCC1CCCCC1 1207254479 762154696 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3.463 10 0 AGAEMO CC/C=C\CC[N@H+]1CCC[C@H](CC)C1 1208729570 762264187 /nfs/dbraw/zinc/26/41/87/762264187.db2.gz CWFAZLXCPSCQMJ-SZZPACECSA-N 1 1 195.350 3.465 10 0 AGAEMO CC/C=C\CC[N@H+]1CC2CCC1CC2 1208728480 762264479 /nfs/dbraw/zinc/26/44/79/762264479.db2.gz BNVXUNBWAPHZTB-ARJAWSKDSA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)CCC[N@@H+](C)C[C@H]1CC1(C)C 1208736679 762265827 /nfs/dbraw/zinc/26/58/27/762265827.db2.gz MLNQNOPPCYTOHQ-GFCCVEGCSA-N 1 1 197.366 3.401 10 0 AGAEMO CC(C)CCC[N@@H+](C)C1CC(C)C1 1208733414 762268295 /nfs/dbraw/zinc/26/82/95/762268295.db2.gz CJXRCGQEBHQMIR-UHFFFAOYSA-N 1 1 183.339 3.153 10 0 AGAEMO CC/C=C\CC[N@H+]1CCC[C@H](C)[C@H]1C 1208728506 762268425 /nfs/dbraw/zinc/26/84/25/762268425.db2.gz CQDHCKVLKMAQGE-AGFGORMFSA-N 1 1 195.350 3.463 10 0 AGAEMO CC/C=C\CC[N@@H+](C)C[C@H]1CC1(C)C 1208730463 762268803 /nfs/dbraw/zinc/26/88/03/762268803.db2.gz VPBIKXYQKUINDY-ZHRWSRJISA-N 1 1 195.350 3.321 10 0 AGAEMO CC[N@@H+](C)Cc1cccc(Cl)c1C 1237727352 764715474 /nfs/dbraw/zinc/71/54/74/764715474.db2.gz AAKJCVKYLRXTSB-UHFFFAOYSA-N 1 1 197.709 3.100 10 0 AGAEMO Cc1cc(CC(C)(C)C)cc(C)[nH+]1 39642404 1169086414 /nfs/dbraw/zinc/08/64/14/1169086414.db2.gz CKGXUHDBNWFRKN-UHFFFAOYSA-N 1 1 177.291 3.287 10 0 AGAEMO COc1cc(C)[nH+]cc1-c1ccccc1 47211934 1169090658 /nfs/dbraw/zinc/09/06/58/1169090658.db2.gz KAZSLLCQUBUXBC-UHFFFAOYSA-N 1 1 199.253 3.066 10 0 AGAEMO CC[N@@H+](C)[C@H]1C[C@H](C)CC(C)(C)C1 60248306 1169099227 /nfs/dbraw/zinc/09/92/27/1169099227.db2.gz LHPWUZZXRWCAFI-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO CCCC[N@@H+](CCC)[C@H](C)CC 59969311 1169099427 /nfs/dbraw/zinc/09/94/27/1169099427.db2.gz BIJCKRMESYFDLK-LLVKDONJSA-N 1 1 171.328 3.297 10 0 AGAEMO CCCC[N@@H+](CCC)[C@@H](C)CC 59969305 1169099822 /nfs/dbraw/zinc/09/98/22/1169099822.db2.gz BIJCKRMESYFDLK-NSHDSACASA-N 1 1 171.328 3.297 10 0 AGAEMO C[C@H]1CCCC[N@H+]1C1CCCCC1 82194007 1169109515 /nfs/dbraw/zinc/10/95/15/1169109515.db2.gz BXKPEMBFOLTLEY-NSHDSACASA-N 1 1 181.323 3.194 10 0 AGAEMO 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OGHRIHSJXCGTKE-LBPRGKRZSA-N 1 1 183.339 3.441 10 0 AGAEMO CCCCC[C@@H]1CCCC[N@H+]1CC 140739050 1169201108 /nfs/dbraw/zinc/20/11/08/1169201108.db2.gz OGHRIHSJXCGTKE-GFCCVEGCSA-N 1 1 183.339 3.441 10 0 AGAEMO CCC[C@@H](C)[N@@H+](C)C(CC)CC 141752823 1169207946 /nfs/dbraw/zinc/20/79/46/1169207946.db2.gz NUDBLXKNGRTMQF-SNVBAGLBSA-N 1 1 171.328 3.295 10 0 AGAEMO CCC[C@H](C)[N@@H+](C)C(CC)CC 141753028 1169208418 /nfs/dbraw/zinc/20/84/18/1169208418.db2.gz NUDBLXKNGRTMQF-JTQLQIEISA-N 1 1 171.328 3.295 10 0 AGAEMO CCCc1[nH]c2ccc(C)c(C)c2[nH+]1 143436529 1169212378 /nfs/dbraw/zinc/21/23/78/1169212378.db2.gz MLWWSZKEKXMDMU-UHFFFAOYSA-N 1 1 188.274 3.132 10 0 AGAEMO CC(C)[N@@H+](C)CCCC1CCCC1 143611933 1169214316 /nfs/dbraw/zinc/21/43/16/1169214316.db2.gz HTUXXCJFOIIEON-UHFFFAOYSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCCC[N@H+]1[C@@H](C)CC[C@H]1C 144573288 1169221130 /nfs/dbraw/zinc/22/11/30/1169221130.db2.gz XRRYERQJROMTHL-TXEJJXNPSA-N 1 1 183.339 3.440 10 0 AGAEMO CC[C@H](c1ccccc1)[N@@H+](C)CC 144405329 1169221834 /nfs/dbraw/zinc/22/18/34/1169221834.db2.gz WFQIIEYATFJNOI-GFCCVEGCSA-N 1 1 177.291 3.089 10 0 AGAEMO CC[C@@H](c1ccccc1)[N@@H+](C)CC 144405535 1169221942 /nfs/dbraw/zinc/22/19/42/1169221942.db2.gz WFQIIEYATFJNOI-LBPRGKRZSA-N 1 1 177.291 3.089 10 0 AGAEMO CCCCCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 144572102 1169222856 /nfs/dbraw/zinc/22/28/56/1169222856.db2.gz RWXHPCMPNJGOTI-TXEJJXNPSA-N 1 1 183.339 3.155 10 0 AGAEMO CCC[N@@H+]([C@@H](C)CC)[C@H](C)CC 146993674 1169232769 /nfs/dbraw/zinc/23/27/69/1169232769.db2.gz MXSZFEIZRQDYQR-PHIMTYICSA-N 1 1 171.328 3.295 10 0 AGAEMO CCCC[C@@H](CC)C[N@@H+](C)CC 147170474 1169233107 /nfs/dbraw/zinc/23/31/07/1169233107.db2.gz GXDMXOLBLNHBQG-LLVKDONJSA-N 1 1 171.328 3.155 10 0 AGAEMO CCCC[C@H](CC)C[N@@H+](C)CC 147170670 1169233189 /nfs/dbraw/zinc/23/31/89/1169233189.db2.gz GXDMXOLBLNHBQG-NSHDSACASA-N 1 1 171.328 3.155 10 0 AGAEMO C=C/C=C/CCn1cc[nH+]c1C(C)C 713716628 674015757 /nfs/dbraw/zinc/01/57/57/674015757.db2.gz ICJKVLNCDPRSQN-AATRIKPKSA-N 1 1 190.290 3.139 10 0 AGAEMO CCCCC[N@@H+](CC)[C@H](C)CC 147142152 1169234482 /nfs/dbraw/zinc/23/44/82/1169234482.db2.gz PMLOLGLZRSWIJV-LLVKDONJSA-N 1 1 171.328 3.297 10 0 AGAEMO C=C/C=C\CCn1cc[nH+]c1C(C)C 713716629 674016033 /nfs/dbraw/zinc/01/60/33/674016033.db2.gz ICJKVLNCDPRSQN-WAYWQWQTSA-N 1 1 190.290 3.139 10 0 AGAEMO CCCCC[N@@H+](CC)[C@@H](C)CC 147141950 1169234794 /nfs/dbraw/zinc/23/47/94/1169234794.db2.gz PMLOLGLZRSWIJV-NSHDSACASA-N 1 1 171.328 3.297 10 0 AGAEMO CC(C)[N@H+]1CCCC2(CCCC2)CC1 147494404 1169236332 /nfs/dbraw/zinc/23/63/32/1169236332.db2.gz SGBXCKPNXNBIAK-UHFFFAOYSA-N 1 1 195.350 3.441 10 0 AGAEMO CCCCCC[C@@H](C)[N@@H+](C)CC 147319924 1169237711 /nfs/dbraw/zinc/23/77/11/1169237711.db2.gz DOPGITBHCKHUSV-LLVKDONJSA-N 1 1 171.328 3.297 10 0 AGAEMO CCC(CC)CCC[N@@H+](C)CC 147218791 1169238951 /nfs/dbraw/zinc/23/89/51/1169238951.db2.gz OEJFYXWYEMZNML-UHFFFAOYSA-N 1 1 171.328 3.155 10 0 AGAEMO CCCCCC[C@H](C)[N@@H+](C)CC 147320125 1169239064 /nfs/dbraw/zinc/23/90/64/1169239064.db2.gz DOPGITBHCKHUSV-NSHDSACASA-N 1 1 171.328 3.297 10 0 AGAEMO CC1(C[N@H+]2CCC[C@@](C)(F)C2)CCC1 824471545 674030495 /nfs/dbraw/zinc/03/04/95/674030495.db2.gz DUGCZMBZOSAZOY-GFCCVEGCSA-N 1 1 199.313 3.001 10 0 AGAEMO C[C@]1(F)CCC[N@@H+](CC2CCCC2)C1 824471398 674030538 /nfs/dbraw/zinc/03/05/38/674030538.db2.gz AUTRKXOEBZEXKU-LBPRGKRZSA-N 1 1 199.313 3.001 10 0 AGAEMO C[C@@]1(F)CCC[N@@H+](CC2CCCC2)C1 824471392 674030834 /nfs/dbraw/zinc/03/08/34/674030834.db2.gz AUTRKXOEBZEXKU-GFCCVEGCSA-N 1 1 199.313 3.001 10 0 AGAEMO CC1(C[N@H+]2CCC[C@](C)(F)C2)CCC1 824471546 674030902 /nfs/dbraw/zinc/03/09/02/674030902.db2.gz DUGCZMBZOSAZOY-LBPRGKRZSA-N 1 1 199.313 3.001 10 0 AGAEMO CCCCCC[N@H+]1CC[C@H](C)[C@@H]1C 149176999 1169249056 /nfs/dbraw/zinc/24/90/56/1169249056.db2.gz NKAJMCLVTQWDSN-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCCC[N@H+]1CC[C@@H](C)[C@@H]1C 149176803 1169249729 /nfs/dbraw/zinc/24/97/29/1169249729.db2.gz NKAJMCLVTQWDSN-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCC[N@@H+](CCC)C1CCCC1 149480659 1169252306 /nfs/dbraw/zinc/25/23/06/1169252306.db2.gz FPTBXPNBBBCPQJ-UHFFFAOYSA-N 1 1 183.339 3.441 10 0 AGAEMO C[C@H]1C[C@@H](C)C[N@@H+](CC(C)(C)C)C1 149385430 1169252908 /nfs/dbraw/zinc/25/29/08/1169252908.db2.gz HEQQINWIEKQCGE-PHIMTYICSA-N 1 1 183.339 3.010 10 0 AGAEMO Cc1ccc(N[C@@H](C)C(C)(C)C)[nH+]c1 162827988 1169264560 /nfs/dbraw/zinc/26/45/60/1169264560.db2.gz GCDWLYLTCHNKLG-JTQLQIEISA-N 1 1 192.306 3.237 10 0 AGAEMO Cc1ccc[nH+]c1N[C@@H](C)C(C)(C)C 162840626 1169264654 /nfs/dbraw/zinc/26/46/54/1169264654.db2.gz CQZNDJJYMXSROP-JTQLQIEISA-N 1 1 192.306 3.237 10 0 AGAEMO CCCCCCn1cc(C)[nH+]c1CC 163192423 1169268523 /nfs/dbraw/zinc/26/85/23/1169268523.db2.gz MBDOPTWQHZAAQS-UHFFFAOYSA-N 1 1 194.322 3.334 10 0 AGAEMO CCCNc1ccc(C(C)(C)C)c[nH+]1 201098553 1169302364 /nfs/dbraw/zinc/30/23/64/1169302364.db2.gz STWGJTZWXIQLHF-UHFFFAOYSA-N 1 1 192.306 3.201 10 0 AGAEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC(C)(C)C 202032315 1169307626 /nfs/dbraw/zinc/30/76/26/1169307626.db2.gz TYJOPOLYFXRLIH-PHIMTYICSA-N 1 1 183.339 3.295 10 0 AGAEMO CCCc1nc2cc(C)cc(C)c2[nH]1 211169751 1169326384 /nfs/dbraw/zinc/32/63/84/1169326384.db2.gz QDBBTPRTLXPTKN-UHFFFAOYSA-N 1 1 188.274 3.132 10 0 AGAEMO CCCc1[nH]c2c(C)cc(C)cc2[nH+]1 211169751 1169326393 /nfs/dbraw/zinc/32/63/93/1169326393.db2.gz QDBBTPRTLXPTKN-UHFFFAOYSA-N 1 1 188.274 3.132 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@@H](CC)C1 221050511 1169349080 /nfs/dbraw/zinc/34/90/80/1169349080.db2.gz HIPHTNVCUHRTFC-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCCC[N@H+]1CC[C@H](CC)C1 221327675 1169354459 /nfs/dbraw/zinc/35/44/59/1169354459.db2.gz GXMCYVZPPPHFIR-LBPRGKRZSA-N 1 1 183.339 3.299 10 0 AGAEMO CCCCCC[N@H+]1CC[C@@H](CC)C1 221327733 1169354951 /nfs/dbraw/zinc/35/49/51/1169354951.db2.gz GXMCYVZPPPHFIR-GFCCVEGCSA-N 1 1 183.339 3.299 10 0 AGAEMO CCCCC[C@@H](C)[N@@H+](C)CCC 222837591 1169359513 /nfs/dbraw/zinc/35/95/13/1169359513.db2.gz PUNROOSRCVNTDL-LLVKDONJSA-N 1 1 171.328 3.297 10 0 AGAEMO CCCCC[C@H](C)[N@@H+](C)CCC 222837633 1169359690 /nfs/dbraw/zinc/35/96/90/1169359690.db2.gz PUNROOSRCVNTDL-NSHDSACASA-N 1 1 171.328 3.297 10 0 AGAEMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@H]2C1 225483827 1169368137 /nfs/dbraw/zinc/36/81/37/1169368137.db2.gz AOWACAMWOGUYAM-RWMBFGLXSA-N 1 1 195.350 3.155 10 0 AGAEMO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@H]2C1 225483794 1169370821 /nfs/dbraw/zinc/37/08/21/1169370821.db2.gz AOWACAMWOGUYAM-UPJWGTAASA-N 1 1 195.350 3.155 10 0 AGAEMO CCC1(Nc2cc(C)cc[nH+]2)CCC1 229509158 1169389192 /nfs/dbraw/zinc/38/91/92/1169389192.db2.gz SRRPIFQPGQMUIB-UHFFFAOYSA-N 1 1 190.290 3.135 10 0 AGAEMO CCC[N@@H+](C)[C@H]1CCCC(C)(C)C1 306150354 1169463254 /nfs/dbraw/zinc/46/32/54/1169463254.db2.gz FUMVMKMZKQYOLL-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[N@@H+](C)[C@@H]1CCCC(C)(C)C1 306150352 1169463647 /nfs/dbraw/zinc/46/36/47/1169463647.db2.gz FUMVMKMZKQYOLL-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO C[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)C)C1 306277187 1169470348 /nfs/dbraw/zinc/47/03/48/1169470348.db2.gz FKUGOCKWEHMSNV-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(C)(C)C)C1 306277184 1169470871 /nfs/dbraw/zinc/47/08/71/1169470871.db2.gz FKUGOCKWEHMSNV-GHMZBOCLSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@H]1CC[C@@H]([N@@H+](C)CC(C)(C)C)C1 306277190 1169470930 /nfs/dbraw/zinc/47/09/30/1169470930.db2.gz FKUGOCKWEHMSNV-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@@H]1CC[C@H]([N@@H+](C)CC(C)(C)C)C1 306277186 1169470954 /nfs/dbraw/zinc/47/09/54/1169470954.db2.gz FKUGOCKWEHMSNV-MNOVXSKESA-N 1 1 183.339 3.153 10 0 AGAEMO Cc1ccsc1C[N@H+]1CCC1(C)C 306307818 1169471687 /nfs/dbraw/zinc/47/16/87/1169471687.db2.gz OAHBTJFIZQETSE-UHFFFAOYSA-N 1 1 195.331 3.041 10 0 AGAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H](C)C1 306333001 1169472268 /nfs/dbraw/zinc/47/22/68/1169472268.db2.gz DLUWIHWHIPQBOP-SDDRHHMPSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H](C)C1 306333002 1169472388 /nfs/dbraw/zinc/47/23/88/1169472388.db2.gz DLUWIHWHIPQBOP-SRVKXCTJSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 306333000 1169472397 /nfs/dbraw/zinc/47/23/97/1169472397.db2.gz DLUWIHWHIPQBOP-GRYCIOLGSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H](C)C1 306333004 1169472404 /nfs/dbraw/zinc/47/24/04/1169472404.db2.gz DLUWIHWHIPQBOP-WOPDTQHZSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@H]1CCCC[N@@H+]1[C@H](C)CC 306363935 1169473474 /nfs/dbraw/zinc/47/34/74/1169473474.db2.gz ZVFSJGUPNOKANH-MNOVXSKESA-N 1 1 169.312 3.049 10 0 AGAEMO CC[C@H](C)[N@H+]1CCCC[C@H]1CC 306363937 1169473713 /nfs/dbraw/zinc/47/37/13/1169473713.db2.gz ZVFSJGUPNOKANH-WDEREUQCSA-N 1 1 169.312 3.049 10 0 AGAEMO CC[C@@H](C)[N@H+]1CCCC[C@H]1CC 306363934 1169473886 /nfs/dbraw/zinc/47/38/86/1169473886.db2.gz ZVFSJGUPNOKANH-GHMZBOCLSA-N 1 1 169.312 3.049 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CC2CCC1CC2 306362419 1169474116 /nfs/dbraw/zinc/47/41/16/1169474116.db2.gz SQOGMQOBOPAUDS-VOMCLLRMSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[C@H](C)[N@H+]1CC2CCC1CC2 306362418 1169474289 /nfs/dbraw/zinc/47/42/89/1169474289.db2.gz SQOGMQOBOPAUDS-UNXYVOJBSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1CC 306363936 1169474695 /nfs/dbraw/zinc/47/46/95/1169474695.db2.gz ZVFSJGUPNOKANH-QWRGUYRKSA-N 1 1 169.312 3.049 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CCCC[C@@H]1C 306400458 1169476270 /nfs/dbraw/zinc/47/62/70/1169476270.db2.gz LAQBHAXZIABZKT-MNOVXSKESA-N 1 1 169.312 3.049 10 0 AGAEMO CCC[C@H](C)[N@H+]1CCCC[C@@H]1C 306400459 1169476452 /nfs/dbraw/zinc/47/64/52/1169476452.db2.gz LAQBHAXZIABZKT-QWRGUYRKSA-N 1 1 169.312 3.049 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CCCC[C@H]1C 306400457 1169476459 /nfs/dbraw/zinc/47/64/59/1169476459.db2.gz LAQBHAXZIABZKT-GHMZBOCLSA-N 1 1 169.312 3.049 10 0 AGAEMO CCC[C@H](C)[N@H+]1CCCC[C@H]1C 306400460 1169476688 /nfs/dbraw/zinc/47/66/88/1169476688.db2.gz LAQBHAXZIABZKT-WDEREUQCSA-N 1 1 169.312 3.049 10 0 AGAEMO C[C@H]1CCCCC[N@H+]1C[Si](C)(C)C 306434332 1169480295 /nfs/dbraw/zinc/48/02/95/1169480295.db2.gz ZSFYKWMSAVKYLY-NSHDSACASA-N 1 1 199.414 3.128 10 0 AGAEMO C[C@@H]1CCCC[N@@H+](CC(C)(C)C)C1 306457752 1169480938 /nfs/dbraw/zinc/48/09/38/1169480938.db2.gz WCBBPRFMWHVBHK-LLVKDONJSA-N 1 1 183.339 3.155 10 0 AGAEMO C[C@H]1CCCC[N@@H+](CC(C)(C)C)C1 306457753 1169481537 /nfs/dbraw/zinc/48/15/37/1169481537.db2.gz WCBBPRFMWHVBHK-NSHDSACASA-N 1 1 183.339 3.155 10 0 AGAEMO CC[C@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 306576497 1169483973 /nfs/dbraw/zinc/48/39/73/1169483973.db2.gz TYUYDDMPEBOTKG-GARJFASQSA-N 1 1 169.312 3.048 10 0 AGAEMO CC[C@@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 306576498 1169484068 /nfs/dbraw/zinc/48/40/68/1169484068.db2.gz TYUYDDMPEBOTKG-MXWKQRLJSA-N 1 1 169.312 3.048 10 0 AGAEMO C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H]2C)C1 306695748 1169486161 /nfs/dbraw/zinc/48/61/61/1169486161.db2.gz VMEMMLKYDIGDLX-IJLUTSLNSA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H]2C)C1 306695749 1169486243 /nfs/dbraw/zinc/48/62/43/1169486243.db2.gz VMEMMLKYDIGDLX-UTUOFQBUSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[N@@H+](C)C1C[C@@H](C)C[C@H](C)C1 306699732 1169486420 /nfs/dbraw/zinc/48/64/20/1169486420.db2.gz DTEWSRSJRIHBKC-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@H]1CCC[N@H+]1[C@@H]1CCC[C@@H](C)C1 306695747 1169486700 /nfs/dbraw/zinc/48/67/00/1169486700.db2.gz VMEMMLKYDIGDLX-GRYCIOLGSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[N@@H+](C)C1C[C@H](C)C[C@@H](C)C1 306699729 1169486735 /nfs/dbraw/zinc/48/67/35/1169486735.db2.gz DTEWSRSJRIHBKC-GHMZBOCLSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@H]1CCC[N@H+]1[C@H]1CCC[C@@H](C)C1 306695750 1169486869 /nfs/dbraw/zinc/48/68/69/1169486869.db2.gz VMEMMLKYDIGDLX-WOPDTQHZSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[N@@H+](C)[C@@H]1C[C@@H](C)C[C@@H](C)C1 306699726 1169487670 /nfs/dbraw/zinc/48/76/70/1169487670.db2.gz DTEWSRSJRIHBKC-GDNZZTSVSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[N@@H+](C(C)C)[C@@H]1CCC(C)(C)C1 306919365 1169492797 /nfs/dbraw/zinc/49/27/97/1169492797.db2.gz DOLXVLROPVNXPE-LLVKDONJSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[N@@H+](C(C)C)[C@H]1CCC(C)(C)C1 306919366 1169493473 /nfs/dbraw/zinc/49/34/73/1169493473.db2.gz DOLXVLROPVNXPE-NSHDSACASA-N 1 1 183.339 3.295 10 0 AGAEMO C[C@H]1CCC[N@@H+](CC(C)(C)C)CC1 306940587 1169494227 /nfs/dbraw/zinc/49/42/27/1169494227.db2.gz CCFPKLLBNBOILW-NSHDSACASA-N 1 1 183.339 3.155 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CCCCC[C@H]1C 306965492 1169494794 /nfs/dbraw/zinc/49/47/94/1169494794.db2.gz NQRFJQNLAXVCFA-VXGBXAGGSA-N 1 1 183.339 3.440 10 0 AGAEMO CCC[C@H](C)[N@H+]1CCCCC[C@H]1C 306965488 1169494972 /nfs/dbraw/zinc/49/49/72/1169494972.db2.gz NQRFJQNLAXVCFA-NWDGAFQWSA-N 1 1 183.339 3.440 10 0 AGAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)C)CC1 306940586 1169495166 /nfs/dbraw/zinc/49/51/66/1169495166.db2.gz CCFPKLLBNBOILW-LLVKDONJSA-N 1 1 183.339 3.155 10 0 AGAEMO C[C@H]1CCC[N@H+](C2CCCCC2)C1 306958363 1169495795 /nfs/dbraw/zinc/49/57/95/1169495795.db2.gz VLBLARRFHLBYSN-NSHDSACASA-N 1 1 181.323 3.051 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CCCCC[C@@H]1C 306965484 1169496059 /nfs/dbraw/zinc/49/60/59/1169496059.db2.gz NQRFJQNLAXVCFA-NEPJUHHUSA-N 1 1 183.339 3.440 10 0 AGAEMO CCC[C@H](C)[N@H+]1CCCCC[C@@H]1C 306965490 1169496503 /nfs/dbraw/zinc/49/65/03/1169496503.db2.gz NQRFJQNLAXVCFA-RYUDHWBXSA-N 1 1 183.339 3.440 10 0 AGAEMO CC[N@@H+](C1CC1)[C@@H]1CCC(C)(C)C1 307495931 1169524423 /nfs/dbraw/zinc/52/44/23/1169524423.db2.gz BSSVPIXRWVZOMD-LLVKDONJSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[N@@H+](C1CC1)[C@H]1CCC(C)(C)C1 307495941 1169524576 /nfs/dbraw/zinc/52/45/76/1169524576.db2.gz BSSVPIXRWVZOMD-NSHDSACASA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@@H](C)[C@@H](C)[N@@H+]1CC=C(C)CC1 307508228 1169524953 /nfs/dbraw/zinc/52/49/53/1169524953.db2.gz BVXZZSQORRUMKS-VXGBXAGGSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[C@@H](C)[C@H](C)[N@@H+]1CC=C(C)CC1 307508215 1169525114 /nfs/dbraw/zinc/52/51/14/1169525114.db2.gz BVXZZSQORRUMKS-NEPJUHHUSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[C@H](C)[C@@H](C)[N@@H+]1CC=C(C)CC1 307508219 1169525205 /nfs/dbraw/zinc/52/52/05/1169525205.db2.gz BVXZZSQORRUMKS-NWDGAFQWSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[C@H](C)[C@H](C)[N@@H+]1CC=C(C)CC1 307508223 1169525265 /nfs/dbraw/zinc/52/52/65/1169525265.db2.gz BVXZZSQORRUMKS-RYUDHWBXSA-N 1 1 181.323 3.073 10 0 AGAEMO CC1CCC([N@@H+]2CCC[C@@H]2C)CC1 307529414 1169526356 /nfs/dbraw/zinc/52/63/56/1169526356.db2.gz LNWIQTSLLZAZGJ-CXQJBGSLSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[N@@H+](C1CC1)[C@@H]1CCC[C@H](C)C1 307608758 1169530453 /nfs/dbraw/zinc/53/04/53/1169530453.db2.gz DFRYDKKWUOJVDG-CMPLNLGQSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[N@@H+](C1CC1)[C@@H]1CCC[C@@H](C)C1 307608761 1169531681 /nfs/dbraw/zinc/53/16/81/1169531681.db2.gz DFRYDKKWUOJVDG-ZYHUDNBSSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[N@@H+](C1CC1)[C@H]1CCC[C@@H](C)C1 307608760 1169532042 /nfs/dbraw/zinc/53/20/42/1169532042.db2.gz DFRYDKKWUOJVDG-PWSUYJOCSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[N@@H+](C1CC1)[C@H]1CCC[C@H](C)C1 307608759 1169532145 /nfs/dbraw/zinc/53/21/45/1169532145.db2.gz DFRYDKKWUOJVDG-JQWIXIFHSA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@H]1CC[N@@H+](C2CCCC2)[C@@H](C)C1 307638080 1169534259 /nfs/dbraw/zinc/53/42/59/1169534259.db2.gz ZKNQLXNUNSFTGT-QWRGUYRKSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@H](C)[N@H+]1CCCC2(CCC2)C1 307727685 1169537977 /nfs/dbraw/zinc/53/79/77/1169537977.db2.gz DNKQEQMRXOWWCE-NSHDSACASA-N 1 1 181.323 3.051 10 0 AGAEMO CC[C@@H](C)[N@H+]1CCCCC[C@@H]1C 307726694 1169538225 /nfs/dbraw/zinc/53/82/25/1169538225.db2.gz CKZUXLZTOHJNCG-MNOVXSKESA-N 1 1 169.312 3.049 10 0 AGAEMO CC[C@@H](C)[N@H+]1CCCC2(CCC2)C1 307727683 1169538670 /nfs/dbraw/zinc/53/86/70/1169538670.db2.gz DNKQEQMRXOWWCE-LLVKDONJSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[C@H](C)[N@H+]1CCCCC[C@H]1C 307726698 1169539477 /nfs/dbraw/zinc/53/94/77/1169539477.db2.gz CKZUXLZTOHJNCG-WDEREUQCSA-N 1 1 169.312 3.049 10 0 AGAEMO CC[C@H](C)[N@H+]1CCCCC[C@@H]1C 307726696 1169539747 /nfs/dbraw/zinc/53/97/47/1169539747.db2.gz CKZUXLZTOHJNCG-QWRGUYRKSA-N 1 1 169.312 3.049 10 0 AGAEMO CC[C@H](C)[N@H+]1CCC[C@H]2CCC[C@H]21 307744496 1169543278 /nfs/dbraw/zinc/54/32/78/1169543278.db2.gz OWRPDWIEMNOKTN-QJPTWQEYSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@@H](C)[N@H+]1CCCCC[C@H]1C 307726691 1169540019 /nfs/dbraw/zinc/54/00/19/1169540019.db2.gz CKZUXLZTOHJNCG-GHMZBOCLSA-N 1 1 169.312 3.049 10 0 AGAEMO CC[C@H](C)[N@H+]1CCC[C@@H]2CCC[C@@H]21 307744498 1169542130 /nfs/dbraw/zinc/54/21/30/1169542130.db2.gz OWRPDWIEMNOKTN-SRVKXCTJSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@H](C)[N@H+]1CCC[C@@H]2CCC[C@H]21 307744497 1169542816 /nfs/dbraw/zinc/54/28/16/1169542816.db2.gz OWRPDWIEMNOKTN-SDDRHHMPSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@H](C)[N@H+]1CCC[C@H]2CCC[C@@H]21 307744499 1169543447 /nfs/dbraw/zinc/54/34/47/1169543447.db2.gz OWRPDWIEMNOKTN-TUAOUCFPSA-N 1 1 181.323 3.049 10 0 AGAEMO CC(C)CC[C@H](C)[N@@H+](C)CC(C)C 308167943 1169545370 /nfs/dbraw/zinc/54/53/70/1169545370.db2.gz YHPCFXHSZRJCLP-LBPRGKRZSA-N 1 1 185.355 3.399 10 0 AGAEMO CCC[C@H](C)[N@@H+](CCC)CC1CC1 308173972 1169545921 /nfs/dbraw/zinc/54/59/21/1169545921.db2.gz CMSMDUUFLLIHLI-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CC(C)CC[C@@H](C)[N@@H+](C)CC(C)C 308167942 1169545945 /nfs/dbraw/zinc/54/59/45/1169545945.db2.gz YHPCFXHSZRJCLP-GFCCVEGCSA-N 1 1 185.355 3.399 10 0 AGAEMO CCC[N@@H+](CC)[C@H]1CC[C@@H](CC)C1 308226753 1169547684 /nfs/dbraw/zinc/54/76/84/1169547684.db2.gz NFTHYLOVXMDTMW-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCCC[N@H+]1CCC=C(F)C1 308325258 1169548975 /nfs/dbraw/zinc/54/89/75/1169548975.db2.gz DUVRBCASNQRJNT-UHFFFAOYSA-N 1 1 185.286 3.126 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CCC[C@H]1C(C)C 308446985 1169550134 /nfs/dbraw/zinc/55/01/34/1169550134.db2.gz BSMIZSNWGFREQY-NEPJUHHUSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC[C@H](C)[N@H+]1CCC[C@@H]1C(C)C 308446986 1169550371 /nfs/dbraw/zinc/55/03/71/1169550371.db2.gz BSMIZSNWGFREQY-NWDGAFQWSA-N 1 1 183.339 3.295 10 0 AGAEMO CCCCCC[N@@H+](C)CC1CCC1 308440296 1169550527 /nfs/dbraw/zinc/55/05/27/1169550527.db2.gz YTPOLFCPEDIKMW-UHFFFAOYSA-N 1 1 183.339 3.299 10 0 AGAEMO CCCCC[N@H+]1C[C@H]2CCCC[C@H]21 308471137 1169550809 /nfs/dbraw/zinc/55/08/09/1169550809.db2.gz KMQRBPLEAFZNFG-VXGBXAGGSA-N 1 1 181.323 3.051 10 0 AGAEMO CCCCCC[N@H+]1CCC[C@@H]2C[C@@H]21 378707936 1169562407 /nfs/dbraw/zinc/56/24/07/1169562407.db2.gz RAWYANZHOGCXKX-NEPJUHHUSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[C@@H](C)C[C@@H](CC)[N@@H+](C)C1CC1 379352226 1169572048 /nfs/dbraw/zinc/57/20/48/1169572048.db2.gz ASMVRIDKBKHURW-GHMZBOCLSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@@H](C[C@H](C)CC)[N@@H+](C)C1CC1 379352227 1169572479 /nfs/dbraw/zinc/57/24/79/1169572479.db2.gz ASMVRIDKBKHURW-MNOVXSKESA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@H](C)C[C@H](CC)[N@@H+](C)C1CC1 379352228 1169573263 /nfs/dbraw/zinc/57/32/63/1169573263.db2.gz ASMVRIDKBKHURW-QWRGUYRKSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@H](C)C[C@@H](CC)[N@@H+](C)C1CC1 379352229 1169573672 /nfs/dbraw/zinc/57/36/72/1169573672.db2.gz ASMVRIDKBKHURW-WDEREUQCSA-N 1 1 183.339 3.295 10 0 AGAEMO CCCC[C@H](C)[N@@H+](C)C1CCCC1 379357505 1169575675 /nfs/dbraw/zinc/57/56/75/1169575675.db2.gz RMFFCNPETYZQGB-NSHDSACASA-N 1 1 183.339 3.440 10 0 AGAEMO CCC(CC)[N@@H+](C)[C@H]1CC[C@@H](C)C1 379360909 1169575751 /nfs/dbraw/zinc/57/57/51/1169575751.db2.gz BXCKAXQKTCVQLB-PWSUYJOCSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@@H+](C)[C@@H]1CC[C@H](C)C1 379360907 1169576750 /nfs/dbraw/zinc/57/67/50/1169576750.db2.gz BXCKAXQKTCVQLB-CMPLNLGQSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@@H+](C)[C@H]1CC[C@H](C)C1 379360908 1169577094 /nfs/dbraw/zinc/57/70/94/1169577094.db2.gz BXCKAXQKTCVQLB-JQWIXIFHSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H](C)C1 379360910 1169577150 /nfs/dbraw/zinc/57/71/50/1169577150.db2.gz BXCKAXQKTCVQLB-ZYHUDNBSSA-N 1 1 183.339 3.295 10 0 AGAEMO CCCC[C@@H](C)[N@@H+](C)C1CCCC1 379357504 1169577186 /nfs/dbraw/zinc/57/71/86/1169577186.db2.gz RMFFCNPETYZQGB-LLVKDONJSA-N 1 1 183.339 3.440 10 0 AGAEMO CCC[N@@H+](C)[C@@H](C)CCC=C(C)C 379378255 1169579413 /nfs/dbraw/zinc/57/94/13/1169579413.db2.gz AESVCDRWLSNHJV-LBPRGKRZSA-N 1 1 183.339 3.463 10 0 AGAEMO CCC[N@@H+](C)[C@H](C)CCC=C(C)C 379378251 1169579525 /nfs/dbraw/zinc/57/95/25/1169579525.db2.gz AESVCDRWLSNHJV-GFCCVEGCSA-N 1 1 183.339 3.463 10 0 AGAEMO CCCCC[N@@H+](CC1CC1)C1CC1 379383873 1169579893 /nfs/dbraw/zinc/57/98/93/1169579893.db2.gz LTSQTOFXCVDSJH-UHFFFAOYSA-N 1 1 181.323 3.051 10 0 AGAEMO CCCC(CCC)[N@@H+](CC)C1CC1 379408019 1169581663 /nfs/dbraw/zinc/58/16/63/1169581663.db2.gz AFNBHAXJDROTTM-UHFFFAOYSA-N 1 1 183.339 3.440 10 0 AGAEMO CC(C)CC[C@@H](C)[N@@H+](C)CC1CC1 379407045 1169582059 /nfs/dbraw/zinc/58/20/59/1169582059.db2.gz XVSUVUMVSQWYLT-LLVKDONJSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[C@H](C)[N@@H+](C)CC1CC1 379407046 1169583332 /nfs/dbraw/zinc/58/33/32/1169583332.db2.gz XVSUVUMVSQWYLT-NSHDSACASA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H](C)[N@@H+](CC)C1CCCCC1 379413214 1169584820 /nfs/dbraw/zinc/58/48/20/1169584820.db2.gz LORKMLOIOHCEJY-LLVKDONJSA-N 1 1 183.339 3.440 10 0 AGAEMO CCCCCC[N@H+]1CCC[C@H]2C[C@H]21 379416107 1169584984 /nfs/dbraw/zinc/58/49/84/1169584984.db2.gz RAWYANZHOGCXKX-NWDGAFQWSA-N 1 1 181.323 3.051 10 0 AGAEMO CCC(CC)[N@@H+](C)Cc1cccs1 379414641 1169585019 /nfs/dbraw/zinc/58/50/19/1169585019.db2.gz OJHWRKQXVLSVKL-UHFFFAOYSA-N 1 1 197.347 3.369 10 0 AGAEMO CC[C@H](C)[N@@H+](CC)C1CCCCC1 379413215 1169585197 /nfs/dbraw/zinc/58/51/97/1169585197.db2.gz LORKMLOIOHCEJY-NSHDSACASA-N 1 1 183.339 3.440 10 0 AGAEMO CC[C@H](C)C[C@@H](CC)[N@@H+](C)CC 381854552 1169597223 /nfs/dbraw/zinc/59/72/23/1169597223.db2.gz MJYQDWCMWYJVTC-WDEREUQCSA-N 1 1 171.328 3.153 10 0 AGAEMO CC[C@@H](C)C[C@@H](CC)[N@@H+](C)CC 381854538 1169597364 /nfs/dbraw/zinc/59/73/64/1169597364.db2.gz MJYQDWCMWYJVTC-GHMZBOCLSA-N 1 1 171.328 3.153 10 0 AGAEMO CC[C@H](C)C[C@H](CC)[N@@H+](C)CC 381854549 1169597654 /nfs/dbraw/zinc/59/76/54/1169597654.db2.gz MJYQDWCMWYJVTC-QWRGUYRKSA-N 1 1 171.328 3.153 10 0 AGAEMO CC[C@@H](C[C@H](C)CC)[N@@H+](C)CC 381854546 1169599105 /nfs/dbraw/zinc/59/91/05/1169599105.db2.gz MJYQDWCMWYJVTC-MNOVXSKESA-N 1 1 171.328 3.153 10 0 AGAEMO CCC[C@H](C)[N@@H+](CC1CC1)C(C)C 388320395 1169622159 /nfs/dbraw/zinc/62/21/59/1169622159.db2.gz WVTKOUALNPUHEA-NSHDSACASA-N 1 1 183.339 3.295 10 0 AGAEMO CCC[C@@H](C)[N@@H+](CC1CC1)C(C)C 388320394 1169623662 /nfs/dbraw/zinc/62/36/62/1169623662.db2.gz WVTKOUALNPUHEA-LLVKDONJSA-N 1 1 183.339 3.295 10 0 AGAEMO CCCC[C@@H](C)[N@@H+](C)[C@H](C)CC 388501860 1169625951 /nfs/dbraw/zinc/62/59/51/1169625951.db2.gz MKOZEGOWTBNETD-GHMZBOCLSA-N 1 1 171.328 3.295 10 0 AGAEMO CCCC[C@H](C)[N@@H+](C)[C@@H](C)CC 388501869 1169626220 /nfs/dbraw/zinc/62/62/20/1169626220.db2.gz MKOZEGOWTBNETD-QWRGUYRKSA-N 1 1 171.328 3.295 10 0 AGAEMO CCCC[C@H](C)[N@@H+](C)[C@H](C)CC 388501865 1169626851 /nfs/dbraw/zinc/62/68/51/1169626851.db2.gz MKOZEGOWTBNETD-MNOVXSKESA-N 1 1 171.328 3.295 10 0 AGAEMO CCCC[C@@H](C)[N@@H+](C)[C@@H](C)CC 388501874 1169627803 /nfs/dbraw/zinc/62/78/03/1169627803.db2.gz MKOZEGOWTBNETD-WDEREUQCSA-N 1 1 171.328 3.295 10 0 AGAEMO CCCC(CCC)[N@@H+](C)CC1CC1 388634862 1169630689 /nfs/dbraw/zinc/63/06/89/1169630689.db2.gz MIXIEYSABIBTPI-UHFFFAOYSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[C@H](C)[N@H+]1CC[C@@H](C)C1 388784129 1169632762 /nfs/dbraw/zinc/63/27/62/1169632762.db2.gz KIGQDJIVADGECW-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 388782971 1169632801 /nfs/dbraw/zinc/63/28/01/1169632801.db2.gz JWYQKWRYOPOLEZ-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[C@@H](C)[N@H+]1CC[C@@H](C)C1 388784134 1169632972 /nfs/dbraw/zinc/63/29/72/1169632972.db2.gz KIGQDJIVADGECW-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@@H+](C)[C@H]1CC[C@@H](C)C1 388782967 1169633357 /nfs/dbraw/zinc/63/33/57/1169633357.db2.gz JWYQKWRYOPOLEZ-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@@H+](C)[C@H]1CC[C@H](C)C1 388782970 1169633846 /nfs/dbraw/zinc/63/38/46/1169633846.db2.gz JWYQKWRYOPOLEZ-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[C@@H](C)[N@H+]1CC[C@H](C)C1 388784131 1169634095 /nfs/dbraw/zinc/63/40/95/1169634095.db2.gz KIGQDJIVADGECW-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[C@H](C)[N@H+]1CC[C@H](C)C1 388784132 1169634314 /nfs/dbraw/zinc/63/43/14/1169634314.db2.gz KIGQDJIVADGECW-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@@H+](C)[C@@H]1CC[C@H](C)C1 388782969 1169634326 /nfs/dbraw/zinc/63/43/26/1169634326.db2.gz JWYQKWRYOPOLEZ-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC(C)(C)CC[N@@H+]1CC=C(C)CC1 1168918688 1169806497 /nfs/dbraw/zinc/80/64/97/1169806497.db2.gz MLEUWUVMGXWNHI-UHFFFAOYSA-N 1 1 195.350 3.465 10 0 AGAEMO FC[C@H]1CCC[N@H+]1C1CCCCCC1 1255894450 1169957570 /nfs/dbraw/zinc/95/75/70/1169957570.db2.gz SWVQDOITYDHLQI-GFCCVEGCSA-N 1 1 199.313 3.143 10 0 AGAEMO CC(C)CC[C@H](C)[N@H+]1CCC[C@@H]2C[C@@H]21 1256370527 1169969460 /nfs/dbraw/zinc/96/94/60/1169969460.db2.gz AROUBADSMJKNAI-XQQFMLRXSA-N 1 1 195.350 3.295 10 0 AGAEMO CCC1CCC([N@H+]2CC[C@H]2C)CC1 1256870830 1169975215 /nfs/dbraw/zinc/97/52/15/1169975215.db2.gz WULQQKCBUQFMMG-VOMCLLRMSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC1CCC([N@H+]2CC[C@@H]2C)CC1 1256870829 1169976235 /nfs/dbraw/zinc/97/62/35/1169976235.db2.gz WULQQKCBUQFMMG-UNXYVOJBSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[C@H](CC)[N@@H+](C)[C@@H](C)CC 1257255920 1169981143 /nfs/dbraw/zinc/98/11/43/1169981143.db2.gz BXQCWWSTBWQCQW-QWRGUYRKSA-N 1 1 171.328 3.295 10 0 AGAEMO CCC[C@@H](CC)[N@@H+](C)[C@@H](C)CC 1257255921 1169981367 /nfs/dbraw/zinc/98/13/67/1169981367.db2.gz BXQCWWSTBWQCQW-WDEREUQCSA-N 1 1 171.328 3.295 10 0 AGAEMO CCCC[N@@H+](C)[C@@H](CC)CCC 1257256141 1169981609 /nfs/dbraw/zinc/98/16/09/1169981609.db2.gz DLCXKDAYVBLYEJ-NSHDSACASA-N 1 1 171.328 3.297 10 0 AGAEMO CCC[C@@H](CC)[N@@H+](C)CC(C)C 1257256442 1169981696 /nfs/dbraw/zinc/98/16/96/1169981696.db2.gz HIFCLNVHLBQASG-LLVKDONJSA-N 1 1 171.328 3.153 10 0 AGAEMO CCC[C@H](CC)[N@@H+](C)[C@H](C)CC 1257255919 1169982093 /nfs/dbraw/zinc/98/20/93/1169982093.db2.gz BXQCWWSTBWQCQW-MNOVXSKESA-N 1 1 171.328 3.295 10 0 AGAEMO CCC[C@@H](CC)[N@@H+](C)[C@H](C)CC 1257255918 1169982345 /nfs/dbraw/zinc/98/23/45/1169982345.db2.gz BXQCWWSTBWQCQW-GHMZBOCLSA-N 1 1 171.328 3.295 10 0 AGAEMO CCCC[N@@H+](C)[C@H](CC)CCC 1257256138 1169982760 /nfs/dbraw/zinc/98/27/60/1169982760.db2.gz DLCXKDAYVBLYEJ-LLVKDONJSA-N 1 1 171.328 3.297 10 0 AGAEMO CCC[C@H](CC)[N@@H+](C)CC(C)C 1257256443 1169982991 /nfs/dbraw/zinc/98/29/91/1169982991.db2.gz HIFCLNVHLBQASG-NSHDSACASA-N 1 1 171.328 3.153 10 0 AGAEMO CCC[C@@H](CC)[N@@H+](C)CC1CCC1 1257264923 1169983942 /nfs/dbraw/zinc/98/39/42/1169983942.db2.gz WFRLLEQTYMJEDI-GFCCVEGCSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@H](CC)[N@@H+](C)C1CCCC1 1257264013 1169983993 /nfs/dbraw/zinc/98/39/93/1169983993.db2.gz FVMHMTKJDKRFBG-NSHDSACASA-N 1 1 183.339 3.440 10 0 AGAEMO CCC[C@H](CC)[N@@H+](C)CC1CCC1 1257264924 1169985251 /nfs/dbraw/zinc/98/52/51/1169985251.db2.gz WFRLLEQTYMJEDI-LBPRGKRZSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@@H](CC)[N@@H+](C)C1CCCC1 1257264012 1169986648 /nfs/dbraw/zinc/98/66/48/1169986648.db2.gz FVMHMTKJDKRFBG-LLVKDONJSA-N 1 1 183.339 3.440 10 0 AGAEMO CCC[C@H](CC)[N@@H+](C)CCC1CC1 1257265264 1169987112 /nfs/dbraw/zinc/98/71/12/1169987112.db2.gz CHHKLAHCJVSHBR-LBPRGKRZSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@@H](CC)[N@@H+](C)CCC1CC1 1257265263 1169988088 /nfs/dbraw/zinc/98/80/88/1169988088.db2.gz CHHKLAHCJVSHBR-GFCCVEGCSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC(CC)[N@H+]1CCCC[C@@H](C)C1 1257294176 1169990598 /nfs/dbraw/zinc/99/05/98/1169990598.db2.gz HXDAFOROYFWULX-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC(CC)[N@H+]1CCCC1(C)C 1257294811 1169990728 /nfs/dbraw/zinc/99/07/28/1169990728.db2.gz RZXKACDCGTZRRX-UHFFFAOYSA-N 1 1 169.312 3.049 10 0 AGAEMO CCC(CC)[N@H+]1CCCC[C@H](C)C1 1257294177 1169991425 /nfs/dbraw/zinc/99/14/25/1169991425.db2.gz HXDAFOROYFWULX-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@@H](C)CC1 1257295608 1169991950 /nfs/dbraw/zinc/99/19/50/1169991950.db2.gz BMZYRCVCBRSOBZ-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC(CC)[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1257295902 1169992398 /nfs/dbraw/zinc/99/23/98/1169992398.db2.gz FSCZEADUQNKOFE-NWDGAFQWSA-N 1 1 195.350 3.297 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@H](C)CC1 1257295609 1169992798 /nfs/dbraw/zinc/99/27/98/1169992798.db2.gz BMZYRCVCBRSOBZ-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@@H](C)[C@H]1C 1257300528 1169993226 /nfs/dbraw/zinc/99/32/26/1169993226.db2.gz VWLWXDQYOLBUES-GHMZBOCLSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@H](C)[C@H]1C 1257300531 1169993267 /nfs/dbraw/zinc/99/32/67/1169993267.db2.gz VWLWXDQYOLBUES-WDEREUQCSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@H+]1CCCCC[C@@H]1C 1257299289 1169993305 /nfs/dbraw/zinc/99/33/05/1169993305.db2.gz HMQKYLCRPUGUPC-NSHDSACASA-N 1 1 183.339 3.440 10 0 AGAEMO CCC(CC)[N@H+]1CCC12CCCC2 1257297266 1169993339 /nfs/dbraw/zinc/99/33/39/1169993339.db2.gz VOSKGWWCTWNKEI-UHFFFAOYSA-N 1 1 181.323 3.194 10 0 AGAEMO CCC(CC)[N@H+]1CC[C@H](C)C[C@@H]1C 1257299261 1169993482 /nfs/dbraw/zinc/99/34/82/1169993482.db2.gz GJMLLXDJMLJKLV-QWRGUYRKSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@H+]1CC[C@@H](C)C[C@H]1C 1257299259 1169994115 /nfs/dbraw/zinc/99/41/15/1169994115.db2.gz GJMLLXDJMLJKLV-GHMZBOCLSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@H+]1CCCC[C@H]1CC 1257300793 1169994136 /nfs/dbraw/zinc/99/41/36/1169994136.db2.gz JCTSBEPGNVSVEF-GFCCVEGCSA-N 1 1 183.339 3.440 10 0 AGAEMO CCC(CC)[N@H+]1CC[C@@H](C)C[C@@H]1C 1257299260 1169994170 /nfs/dbraw/zinc/99/41/70/1169994170.db2.gz GJMLLXDJMLJKLV-MNOVXSKESA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@@H+](CC1CC1)C(C)C 1257298934 1169994315 /nfs/dbraw/zinc/99/43/15/1169994315.db2.gz AIYRSSPFMYNABT-UHFFFAOYSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@H+]1CC[C@H](C)C[C@H]1C 1257299262 1169994697 /nfs/dbraw/zinc/99/46/97/1169994697.db2.gz GJMLLXDJMLJKLV-WDEREUQCSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@H]1CC 1257300220 1169994725 /nfs/dbraw/zinc/99/47/25/1169994725.db2.gz UAEXYDIGKTYAGA-LLVKDONJSA-N 1 1 169.312 3.049 10 0 AGAEMO CCC(CC)[N@H+]1CCC2(CCC2)C1 1257301309 1169994823 /nfs/dbraw/zinc/99/48/23/1169994823.db2.gz ZUKMOJQSQZNSBV-UHFFFAOYSA-N 1 1 181.323 3.051 10 0 AGAEMO CCC(CC)[N@H+]1CCCCC12CC2 1257301104 1169994968 /nfs/dbraw/zinc/99/49/68/1169994968.db2.gz PPXRHAWXKBKHBC-UHFFFAOYSA-N 1 1 181.323 3.194 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@@H](C)[C@@H]1C 1257300529 1169994978 /nfs/dbraw/zinc/99/49/78/1169994978.db2.gz VWLWXDQYOLBUES-MNOVXSKESA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@H+]1CCCCC[C@H]1C 1257299288 1169995186 /nfs/dbraw/zinc/99/51/86/1169995186.db2.gz HMQKYLCRPUGUPC-LLVKDONJSA-N 1 1 183.339 3.440 10 0 AGAEMO CCC(CC)[N@H+]1CC2CCC1CC2 1257300861 1169995327 /nfs/dbraw/zinc/99/53/27/1169995327.db2.gz KJPIXENQJGOHJT-UHFFFAOYSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@@H]1CC 1257300221 1169995360 /nfs/dbraw/zinc/99/53/60/1169995360.db2.gz UAEXYDIGKTYAGA-NSHDSACASA-N 1 1 169.312 3.049 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@H](C)[C@@H]1C 1257300530 1169995399 /nfs/dbraw/zinc/99/53/99/1169995399.db2.gz VWLWXDQYOLBUES-QWRGUYRKSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC(CC)[N@H+]1CCCC[C@@H]1CC 1257300794 1169995700 /nfs/dbraw/zinc/99/57/00/1169995700.db2.gz JCTSBEPGNVSVEF-LBPRGKRZSA-N 1 1 183.339 3.440 10 0 AGAEMO CCC[C@H](C)[N@H+]1CCC12CCCC2 1257317803 1169999880 /nfs/dbraw/zinc/99/98/80/1169999880.db2.gz VEWIKNATRVSFHJ-NSHDSACASA-N 1 1 181.323 3.194 10 0 AGAEMO CCCC[N@@H+](C)C[C@@H](C)CCC 143659923 566266260 /nfs/dbraw/zinc/26/62/60/566266260.db2.gz HDMVGGPPKCSCHW-NSHDSACASA-N 1 1 171.328 3.155 10 0 AGAEMO CCCC[N@@H+](C)C[C@H](C)CCC 143660146 566267245 /nfs/dbraw/zinc/26/72/45/566267245.db2.gz HDMVGGPPKCSCHW-LLVKDONJSA-N 1 1 171.328 3.155 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CCC12CCCC2 1257317802 1170000205 /nfs/dbraw/zinc/00/02/05/1170000205.db2.gz VEWIKNATRVSFHJ-LLVKDONJSA-N 1 1 181.323 3.194 10 0 AGAEMO CCC[C@H](C)[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1257317540 1170000511 /nfs/dbraw/zinc/00/05/11/1170000511.db2.gz QDZIRZVAMJDBDA-RWMBFGLXSA-N 1 1 195.350 3.297 10 0 AGAEMO CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC1(C)C 1257323811 1170001714 /nfs/dbraw/zinc/00/17/14/1170001714.db2.gz DCHNUZYNIQAANC-MNOVXSKESA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@H](C)[N@@H+](C)C[C@H]1CC1(C)C 1257323816 1170002061 /nfs/dbraw/zinc/00/20/61/1170002061.db2.gz DCHNUZYNIQAANC-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@H](C)[N@@H+](C)C[C@@H]1CC1(C)C 1257323814 1170002869 /nfs/dbraw/zinc/00/28/69/1170002869.db2.gz DCHNUZYNIQAANC-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CCCCC12CC2 1257325618 1170003648 /nfs/dbraw/zinc/00/36/48/1170003648.db2.gz MPBTYUWPLWNHNX-LLVKDONJSA-N 1 1 181.323 3.194 10 0 AGAEMO CCC[C@H](C)[N@H+]1CCCCC12CC2 1257325619 1170003828 /nfs/dbraw/zinc/00/38/28/1170003828.db2.gz MPBTYUWPLWNHNX-NSHDSACASA-N 1 1 181.323 3.194 10 0 AGAEMO CCC[C@@H](C)[N@@H+](C)C[C@H]1CC1(C)C 1257323809 1170004170 /nfs/dbraw/zinc/00/41/70/1170004170.db2.gz DCHNUZYNIQAANC-GHMZBOCLSA-N 1 1 183.339 3.153 10 0 AGAEMO C1CCC([N@H+]2CC[C@@H]3CCC[C@@H]3C2)C1 1257350856 1170010155 /nfs/dbraw/zinc/01/01/55/1170010155.db2.gz VWHSFOXWSIAWSK-NWDGAFQWSA-N 1 1 193.334 3.051 10 0 AGAEMO CC[C@H]1CCCC[N@H+]1C1CCCC1 1257353248 1170010214 /nfs/dbraw/zinc/01/02/14/1170010214.db2.gz AQRCSXDFIVQLMI-NSHDSACASA-N 1 1 181.323 3.194 10 0 AGAEMO C1CCC([N@H+]2CC[C@@H]3CCC[C@H]3C2)C1 1257350857 1170010425 /nfs/dbraw/zinc/01/04/25/1170010425.db2.gz VWHSFOXWSIAWSK-RYUDHWBXSA-N 1 1 193.334 3.051 10 0 AGAEMO C1CCC([N@H+]2CC[C@H]3CCC[C@H]3C2)C1 1257350855 1170011626 /nfs/dbraw/zinc/01/16/26/1170011626.db2.gz VWHSFOXWSIAWSK-NEPJUHHUSA-N 1 1 193.334 3.051 10 0 AGAEMO C1CCC([N@H+]2CC[C@H]3CCC[C@@H]3C2)C1 1257350858 1170012180 /nfs/dbraw/zinc/01/21/80/1170012180.db2.gz VWHSFOXWSIAWSK-VXGBXAGGSA-N 1 1 193.334 3.051 10 0 AGAEMO CC[C@@H]1CCCC[N@H+]1C1CCCC1 1257353247 1170012390 /nfs/dbraw/zinc/01/23/90/1170012390.db2.gz AQRCSXDFIVQLMI-LLVKDONJSA-N 1 1 181.323 3.194 10 0 AGAEMO CCCC[C@H](CC)[N@@H+](C)CCC 1257419446 1170016371 /nfs/dbraw/zinc/01/63/71/1170016371.db2.gz WXRSYLOKJCSXCS-NSHDSACASA-N 1 1 171.328 3.297 10 0 AGAEMO CCCC[C@@H](CC)[N@@H+](C)CC1CC1 1257418968 1170016872 /nfs/dbraw/zinc/01/68/72/1170016872.db2.gz QFAIVCMNISVEEF-GFCCVEGCSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCC[C@H](CC)[N@@H+](C)CC1CC1 1257418969 1170017224 /nfs/dbraw/zinc/01/72/24/1170017224.db2.gz QFAIVCMNISVEEF-LBPRGKRZSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCC[C@@H](CC)[N@@H+](C)CCC 1257419445 1170019226 /nfs/dbraw/zinc/01/92/26/1170019226.db2.gz WXRSYLOKJCSXCS-LLVKDONJSA-N 1 1 171.328 3.297 10 0 AGAEMO CCCC[C@H](CC)[N@@H+](C)C(C)C 1257417701 1170019429 /nfs/dbraw/zinc/01/94/29/1170019429.db2.gz GVDSKRYCJQAHCF-NSHDSACASA-N 1 1 171.328 3.295 10 0 AGAEMO CCCC[C@@H](CC)[N@@H+](C)C(C)C 1257417700 1170019927 /nfs/dbraw/zinc/01/99/27/1170019927.db2.gz GVDSKRYCJQAHCF-LLVKDONJSA-N 1 1 171.328 3.295 10 0 AGAEMO CCCC[C@@H](CC)[N@H+](C)CC(F)F 1257428247 1170020279 /nfs/dbraw/zinc/02/02/79/1170020279.db2.gz TYPSXAJHQBHMEC-SECBINFHSA-N 1 1 193.281 3.152 10 0 AGAEMO CCCC[C@@H](CC)[N@@H+](C)CC(F)F 1257428247 1170020282 /nfs/dbraw/zinc/02/02/82/1170020282.db2.gz TYPSXAJHQBHMEC-SECBINFHSA-N 1 1 193.281 3.152 10 0 AGAEMO CCCC[C@H](CC)[N@H+](C)CC(F)F 1257428248 1170021459 /nfs/dbraw/zinc/02/14/59/1170021459.db2.gz TYPSXAJHQBHMEC-VIFPVBQESA-N 1 1 193.281 3.152 10 0 AGAEMO CCCC[C@H](CC)[N@@H+](C)CC(F)F 1257428248 1170021464 /nfs/dbraw/zinc/02/14/64/1170021464.db2.gz TYPSXAJHQBHMEC-VIFPVBQESA-N 1 1 193.281 3.152 10 0 AGAEMO CC[C@H](C)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 1257445389 1170030794 /nfs/dbraw/zinc/03/07/94/1170030794.db2.gz BOEBHYRSWMXVAB-YNEHKIRRSA-N 1 1 195.350 3.297 10 0 AGAEMO CC[C@H](C)[N@H+]1CCC[C@@H]2CCCC[C@H]21 1257442076 1170032094 /nfs/dbraw/zinc/03/20/94/1170032094.db2.gz BSIWQGNPJDAYBL-RWMBFGLXSA-N 1 1 195.350 3.440 10 0 AGAEMO CC[C@H](C)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 1257442075 1170033028 /nfs/dbraw/zinc/03/30/28/1170033028.db2.gz BSIWQGNPJDAYBL-AVGNSLFASA-N 1 1 195.350 3.440 10 0 AGAEMO CC[C@H](C)[N@H+]1CC[C@H]2CCCC[C@H]2C1 1257442072 1170034279 /nfs/dbraw/zinc/03/42/79/1170034279.db2.gz BOEBHYRSWMXVAB-XQQFMLRXSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1CC[N@H+]1[C@@H]1CCCC(C)(C)C1 1258284492 1170059547 /nfs/dbraw/zinc/05/95/47/1170059547.db2.gz FFSGAIAGPWJXFW-WDEREUQCSA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@H]1CC[N@H+]1[C@H]1CCCC(C)(C)C1 1258284491 1170061441 /nfs/dbraw/zinc/06/14/41/1170061441.db2.gz FFSGAIAGPWJXFW-QWRGUYRKSA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@@H]1CC[N@H+]1[C@H]1CCCC(C)(C)C1 1258284490 1170061628 /nfs/dbraw/zinc/06/16/28/1170061628.db2.gz FFSGAIAGPWJXFW-MNOVXSKESA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@@H]1CC[N@H+]1[C@@H]1CCCC(C)(C)C1 1258284489 1170062339 /nfs/dbraw/zinc/06/23/39/1170062339.db2.gz FFSGAIAGPWJXFW-GHMZBOCLSA-N 1 1 181.323 3.049 10 0 AGAEMO CCCCC[C@H](CC)[N@@H+](C)CCF 1258448028 1170066335 /nfs/dbraw/zinc/06/63/35/1170066335.db2.gz MSFFXURLRILUIY-NSHDSACASA-N 1 1 189.318 3.247 10 0 AGAEMO CCCCC[C@@H](CC)[N@@H+](C)CCF 1258448027 1170067751 /nfs/dbraw/zinc/06/77/51/1170067751.db2.gz MSFFXURLRILUIY-LLVKDONJSA-N 1 1 189.318 3.247 10 0 AGAEMO CCC[N@@H+](CC1CC1)[C@@H](C)CC1CC1 1258457176 1170068840 /nfs/dbraw/zinc/06/88/40/1170068840.db2.gz FREAUJZKGMINCB-NSHDSACASA-N 1 1 195.350 3.297 10 0 AGAEMO CCC[N@@H+](CC1CC1)[C@H](C)CC1CC1 1258457175 1170070076 /nfs/dbraw/zinc/07/00/76/1170070076.db2.gz FREAUJZKGMINCB-LLVKDONJSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@@H](CC1CC1)[N@H+]1CCCC1(C)C 1258460229 1170071923 /nfs/dbraw/zinc/07/19/23/1170071923.db2.gz BQQBWLOMVUNZFF-JTQLQIEISA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@H]1CCCC[N@H+]([C@H](C)CC2CC2)C1 1258465624 1170072064 /nfs/dbraw/zinc/07/20/64/1170072064.db2.gz PGFZXQDIIVDLTI-NWDGAFQWSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@@H]1CCCC[N@@H+]1[C@H](C)CC1CC1 1258458783 1170072214 /nfs/dbraw/zinc/07/22/14/1170072214.db2.gz ZDVDLSCOINRCPM-GHMZBOCLSA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@@H]1CCCC[N@H+]([C@H](C)CC2CC2)C1 1258465628 1170072335 /nfs/dbraw/zinc/07/23/35/1170072335.db2.gz PGFZXQDIIVDLTI-VXGBXAGGSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H](CC1CC1)[N@H+]1CCC12CCCC2 1258466054 1170072421 /nfs/dbraw/zinc/07/24/21/1170072421.db2.gz SWWMXPIQBIOVHW-LLVKDONJSA-N 1 1 193.334 3.194 10 0 AGAEMO C[C@H]1CCCC[N@@H+]1[C@@H](C)CC1CC1 1258458785 1170072620 /nfs/dbraw/zinc/07/26/20/1170072620.db2.gz ZDVDLSCOINRCPM-QWRGUYRKSA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@H]1CCC[N@H+]([C@H](C)CC2CC2)CC1 1258460680 1170072924 /nfs/dbraw/zinc/07/29/24/1170072924.db2.gz FFSAWXQODCRFNS-NWDGAFQWSA-N 1 1 195.350 3.297 10 0 AGAEMO CC(C)[N@@H+](CC1CC1)[C@@H](C)CC1CC1 1258462792 1170073020 /nfs/dbraw/zinc/07/30/20/1170073020.db2.gz KWXQGUMPQKHLAD-NSHDSACASA-N 1 1 195.350 3.295 10 0 AGAEMO C[C@@H](CC1CC1)[N@H+]1CCC[C@@H](C)CC1 1258460679 1170073125 /nfs/dbraw/zinc/07/31/25/1170073125.db2.gz FFSAWXQODCRFNS-NEPJUHHUSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@@H]1CCC[N@H+]([C@H](C)CC2CC2)CC1 1258460682 1170073211 /nfs/dbraw/zinc/07/32/11/1170073211.db2.gz FFSAWXQODCRFNS-VXGBXAGGSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1[C@H](C)CCC[N@@H+]1[C@H](C)CC1CC1 1258463472 1170073436 /nfs/dbraw/zinc/07/34/36/1170073436.db2.gz NYAZPZAMBXPDKT-UTUOFQBUSA-N 1 1 195.350 3.295 10 0 AGAEMO C[C@@H](CC1CC1)[N@H+]1CCC[C@@H](C)[C@H]1C 1258463470 1170073517 /nfs/dbraw/zinc/07/35/17/1170073517.db2.gz NYAZPZAMBXPDKT-GRYCIOLGSA-N 1 1 195.350 3.295 10 0 AGAEMO C[C@H](CC1CC1)[N@H+]1CCCC1(C)C 1258460230 1170073544 /nfs/dbraw/zinc/07/35/44/1170073544.db2.gz BQQBWLOMVUNZFF-SNVBAGLBSA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@H]1CCCCC[N@@H+]1[C@@H](C)CC1CC1 1258461719 1170073739 /nfs/dbraw/zinc/07/37/39/1170073739.db2.gz DZTZWPWPSXDOHU-RYUDHWBXSA-N 1 1 195.350 3.440 10 0 AGAEMO C[C@@H](CC1CC1)[N@H+]1CCC2(CCC2)C1 1258463528 1170073768 /nfs/dbraw/zinc/07/37/68/1170073768.db2.gz AMXIOGBBUNIQGD-NSHDSACASA-N 1 1 193.334 3.051 10 0 AGAEMO C[C@@H](CC1CC1)[N@H+]1CCCC[C@@H](C)C1 1258465623 1170073911 /nfs/dbraw/zinc/07/39/11/1170073911.db2.gz PGFZXQDIIVDLTI-NEPJUHHUSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H](CC1CC1)[N@H+]1CCC2(CCC2)C1 1258463527 1170074008 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1170082132 /nfs/dbraw/zinc/08/21/32/1170082132.db2.gz JFVNUHGDRSKFAU-NEPJUHHUSA-N 1 1 195.350 3.440 10 0 AGAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCC(C)(C)C1 1258602197 1170082534 /nfs/dbraw/zinc/08/25/34/1170082534.db2.gz JFVNUHGDRSKFAU-VXGBXAGGSA-N 1 1 195.350 3.440 10 0 AGAEMO C[C@H]1CCCC[N@H+]1[C@@H]1CCC(C)(C)C1 1258602189 1170082791 /nfs/dbraw/zinc/08/27/91/1170082791.db2.gz JFVNUHGDRSKFAU-NWDGAFQWSA-N 1 1 195.350 3.440 10 0 AGAEMO C[C@H]1CCCC[N@H+]1[C@H]1CCC(C)(C)C1 1258602191 1170085342 /nfs/dbraw/zinc/08/53/42/1170085342.db2.gz JFVNUHGDRSKFAU-RYUDHWBXSA-N 1 1 195.350 3.440 10 0 AGAEMO C[C@H]1CCCC[N@@H+]1[C@H]1CCC[C@@H](C)C1 1258816451 1170105556 /nfs/dbraw/zinc/10/55/56/1170105556.db2.gz DVFKSFUHVZGCNF-AGIUHOORSA-N 1 1 195.350 3.440 10 0 AGAEMO C[C@H]1CCCC[N@@H+]1[C@@H]1CCC[C@@H](C)C1 1258816452 1170105774 /nfs/dbraw/zinc/10/57/74/1170105774.db2.gz DVFKSFUHVZGCNF-FRRDWIJNSA-N 1 1 195.350 3.440 10 0 AGAEMO C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H]2C)C1 1258816454 1170105909 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1170183383 /nfs/dbraw/zinc/18/33/83/1170183383.db2.gz WJSAIDHHONVIRS-ZDUSSCGKSA-N 1 1 197.366 3.401 10 0 AGAEMO C=C/C=C\CC[N@@H+]1CCC[C@H](C)[C@@H]1C 1307488443 1170183544 /nfs/dbraw/zinc/18/35/44/1170183544.db2.gz BLYBTBWLYIKICA-IBPBTGAJSA-N 1 1 193.334 3.239 10 0 AGAEMO C[C@H]1CCC[N@@H+](CC2=CCCC2)[C@@H]1C 1307490366 1170183696 /nfs/dbraw/zinc/18/36/96/1170183696.db2.gz OFEWNPAHVMEFCN-NWDGAFQWSA-N 1 1 193.334 3.217 10 0 AGAEMO C[C@H]1[C@H](C)CCC[N@H+]1CC1=CCCC1 1307490365 1170183811 /nfs/dbraw/zinc/18/38/11/1170183811.db2.gz OFEWNPAHVMEFCN-NEPJUHHUSA-N 1 1 193.334 3.217 10 0 AGAEMO C=C/C=C/CC[N@@H+]1CCC[C@H](C)[C@@H]1C 1307488441 1170183845 /nfs/dbraw/zinc/18/38/45/1170183845.db2.gz BLYBTBWLYIKICA-AAAGKOELSA-N 1 1 193.334 3.239 10 0 AGAEMO C=C/C=C/CC[N@@H+]1CCC[C@H](C)[C@H]1C 1307488444 1170183913 /nfs/dbraw/zinc/18/39/13/1170183913.db2.gz BLYBTBWLYIKICA-JQSFKPKSSA-N 1 1 193.334 3.239 10 0 AGAEMO CC[C@H]1CC[C@@H](C)[N@H+]1CC1=CCCC1 1307620919 1170184015 /nfs/dbraw/zinc/18/40/15/1170184015.db2.gz JKGHNZCMPWSMLW-YPMHNXCESA-N 1 1 193.334 3.360 10 0 AGAEMO CC(C)=CCC[N@@H+]1CCC[C@H]1C(C)C 1307493361 1170184177 /nfs/dbraw/zinc/18/41/77/1170184177.db2.gz JMUCSEMGDIDGAD-ZDUSSCGKSA-N 1 1 195.350 3.463 10 0 AGAEMO CC1=C(C)C[N@@H+](CC2CC(C)C2)CC1 1307729068 1170184434 /nfs/dbraw/zinc/18/44/34/1170184434.db2.gz SEIPLPXJNCTAIY-UHFFFAOYSA-N 1 1 193.334 3.075 10 0 AGAEMO C[C@@H]1CCC[N@H+]1CC12CCC(CC1)C2 1307493109 1170184511 /nfs/dbraw/zinc/18/45/11/1170184511.db2.gz HJSCSALGOPFRQC-PNESKVBLSA-N 1 1 193.334 3.051 10 0 AGAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC1=CCCC1 1307620917 1170184528 /nfs/dbraw/zinc/18/45/28/1170184528.db2.gz JKGHNZCMPWSMLW-DGCLKSJQSA-N 1 1 193.334 3.360 10 0 AGAEMO C=C/C=C\CC[N@H+](C(C)C)C1CCC1 1307528225 1170184540 /nfs/dbraw/zinc/18/45/40/1170184540.db2.gz FIRRGOGRLWOVNH-WAYWQWQTSA-N 1 1 193.334 3.382 10 0 AGAEMO C[C@H]1CCC[N@@H+](CC2=CCCC2)[C@H]1C 1307490367 1170184590 /nfs/dbraw/zinc/18/45/90/1170184590.db2.gz OFEWNPAHVMEFCN-RYUDHWBXSA-N 1 1 193.334 3.217 10 0 AGAEMO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C(C)C)C1 1307528839 1170184614 /nfs/dbraw/zinc/18/46/14/1170184614.db2.gz HCIVXSHPUHEYGU-AGIUHOORSA-N 1 1 195.350 3.010 10 0 AGAEMO CC[C@H](C)C[N@@H+](CC)CC1CC=CC1 1307510629 1170184617 /nfs/dbraw/zinc/18/46/17/1170184617.db2.gz IDHPIDKOILCSIG-LBPRGKRZSA-N 1 1 195.350 3.321 10 0 AGAEMO CC(C)=CCC[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C 1307852519 1170184751 /nfs/dbraw/zinc/18/47/51/1170184751.db2.gz HDUUVEKGKBQNNS-YNEHKIRRSA-N 1 1 195.350 3.319 10 0 AGAEMO CC(C)=CCC[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 1307852518 1170184847 /nfs/dbraw/zinc/18/48/47/1170184847.db2.gz HDUUVEKGKBQNNS-XQQFMLRXSA-N 1 1 195.350 3.319 10 0 AGAEMO CC(C)C[C@@H](C)[N@H+]1C[C@H]2CCCC[C@H]21 1307899997 1170184883 /nfs/dbraw/zinc/18/48/83/1170184883.db2.gz DVGCAOLRLMOUPR-JHJVBQTASA-N 1 1 195.350 3.295 10 0 AGAEMO CCCC[N@H+]1CCCC[C@H]1C1CCC1 1307903060 1170185994 /nfs/dbraw/zinc/18/59/94/1170185994.db2.gz MHTQQRMCLJJDNV-ZDUSSCGKSA-N 1 1 195.350 3.441 10 0 AGAEMO CC(C)=CCC[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C 1307852517 1170186141 /nfs/dbraw/zinc/18/61/41/1170186141.db2.gz HDUUVEKGKBQNNS-RWMBFGLXSA-N 1 1 195.350 3.319 10 0 AGAEMO CC(C)CCC[N@H+]1C[C@H]2CCCC[C@H]21 1307900286 1170186977 /nfs/dbraw/zinc/18/69/77/1170186977.db2.gz NRFVJPRHMBVCQK-CHWSQXEVSA-N 1 1 195.350 3.297 10 0 AGAEMO CC(C)C[C@H](C)[N@H+]1C[C@H]2CCCC[C@H]21 1307899999 1170187258 /nfs/dbraw/zinc/18/72/58/1170187258.db2.gz DVGCAOLRLMOUPR-YNEHKIRRSA-N 1 1 195.350 3.295 10 0 AGAEMO CC1(C[N@H+]2C[C@H]3CCCC[C@H]32)CCC1 1307900140 1170187448 /nfs/dbraw/zinc/18/74/48/1170187448.db2.gz GCZDBXJNVCEKMQ-VXGBXAGGSA-N 1 1 193.334 3.051 10 0 AGAEMO CC(C)=CCC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C 1307852516 1170187465 /nfs/dbraw/zinc/18/74/65/1170187465.db2.gz HDUUVEKGKBQNNS-AVGNSLFASA-N 1 1 195.350 3.319 10 0 AGAEMO CC(C)=CCC[N@H+]1C[C@H]2CCCC[C@H]21 1307901863 1170187654 /nfs/dbraw/zinc/18/76/54/1170187654.db2.gz VWMNJJDBCSMKEW-CHWSQXEVSA-N 1 1 193.334 3.217 10 0 AGAEMO CCCC[N@H+]1CCCC[C@@H]1C1CCC1 1307903059 1170187676 /nfs/dbraw/zinc/18/76/76/1170187676.db2.gz MHTQQRMCLJJDNV-CYBMUJFWSA-N 1 1 195.350 3.441 10 0 AGAEMO CC[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 1321200253 1170210281 /nfs/dbraw/zinc/21/02/81/1170210281.db2.gz BOEBHYRSWMXVAB-RWMBFGLXSA-N 1 1 195.350 3.297 10 0 AGAEMO CC[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 1321200252 1170212189 /nfs/dbraw/zinc/21/21/89/1170212189.db2.gz BOEBHYRSWMXVAB-AVGNSLFASA-N 1 1 195.350 3.297 10 0 AGAEMO CC1(C[N@H+]2CC(C)(C)C2(C)C)CCC1 1320864250 1170212389 /nfs/dbraw/zinc/21/23/89/1170212389.db2.gz FPCCXHLSDNHZMX-UHFFFAOYSA-N 1 1 195.350 3.297 10 0 AGAEMO FCCCCC[N@H+]1CC2CCC1CC2 1321742538 1170214188 /nfs/dbraw/zinc/21/41/88/1170214188.db2.gz FVYADVNCOAOQQM-UHFFFAOYSA-N 1 1 199.313 3.001 10 0 AGAEMO CC[N@@H+](C[C@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C 1333604160 1170328236 /nfs/dbraw/zinc/32/82/36/1170328236.db2.gz DZWARVIKZRMDNY-ZSBIGDGJSA-N 1 1 195.350 3.153 10 0 AGAEMO CC/C=C/CC[N@H+]1CC2CCC1CC2 1342670617 1170450526 /nfs/dbraw/zinc/45/05/26/1170450526.db2.gz BNVXUNBWAPHZTB-ONEGZZNKSA-N 1 1 193.334 3.217 10 0 AGAEMO Cc1cc(OCCCC(C)C)cc[nH+]1 1348567391 1170504054 /nfs/dbraw/zinc/50/40/54/1170504054.db2.gz FQPXJQBSGMFONH-UHFFFAOYSA-N 1 1 193.290 3.205 10 0 AGAEMO CC1(C)C[N@@H+](CC2=CCCC2)C1(C)C 1349097953 1170508331 /nfs/dbraw/zinc/50/83/31/1170508331.db2.gz FKEKFGVSQMXGGG-UHFFFAOYSA-N 1 1 193.334 3.217 10 0 AGAEMO CC[N@@H+](Cc1cc(C)co1)C(C)(C)C 1350328215 1170518091 /nfs/dbraw/zinc/51/80/91/1170518091.db2.gz ROKPCWFRCRKZMQ-UHFFFAOYSA-N 1 1 195.306 3.208 10 0 AGAEMO CCCCC[N@H+]1CC[C@H](C)[C@@H]1CC 1459985221 1170575178 /nfs/dbraw/zinc/57/51/78/1170575178.db2.gz JPIPGQZAVXDPJA-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CC/C=C/CC[N@@H+](C)C1CC(C)(C)C1 1460212949 1170575261 /nfs/dbraw/zinc/57/52/61/1170575261.db2.gz JAUYQFCVQQGVJG-VOTSOKGWSA-N 1 1 195.350 3.463 10 0 AGAEMO CC/C=C/CC[N@H+]1CC[C@H](C)[C@H](C)C1 1459771501 1170575687 /nfs/dbraw/zinc/57/56/87/1170575687.db2.gz ODDYAXWZNUXYTM-JQSFKPKSSA-N 1 1 195.350 3.321 10 0 AGAEMO CC/C=C\CC[N@H+]1CC[C@H](C)[C@@H](C)C1 1459771499 1170575760 /nfs/dbraw/zinc/57/57/60/1170575760.db2.gz ODDYAXWZNUXYTM-IBPBTGAJSA-N 1 1 195.350 3.321 10 0 AGAEMO CCCCC[N@H+]1CC[C@@H](C)[C@H]1CC 1459985222 1170575898 /nfs/dbraw/zinc/57/58/98/1170575898.db2.gz JPIPGQZAVXDPJA-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO C=C/C=C/CC[N@H+](CC)C(C)(C)C 1460172117 1170576157 /nfs/dbraw/zinc/57/61/57/1170576157.db2.gz PJYGSUVISHWVSC-CMDGGOBGSA-N 1 1 181.323 3.239 10 0 AGAEMO CCCCC[N@H+]1CC[C@@H](C)[C@@H]1CC 1459985217 1170576256 /nfs/dbraw/zinc/57/62/56/1170576256.db2.gz JPIPGQZAVXDPJA-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO C[C@H](C[N@@H+]1CC=CCC1)CC(C)(C)C 1459866346 1170576464 /nfs/dbraw/zinc/57/64/64/1170576464.db2.gz YOIFYLCVQURATK-LBPRGKRZSA-N 1 1 195.350 3.321 10 0 AGAEMO CC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 1459889134 1170576586 /nfs/dbraw/zinc/57/65/86/1170576586.db2.gz MVVXDYIHTCDWST-UHFFFAOYSA-N 1 1 193.334 3.075 10 0 AGAEMO C[C@@H](C[N@@H+]1CC=CCC1)CC(C)(C)C 1459866344 1170576752 /nfs/dbraw/zinc/57/67/52/1170576752.db2.gz YOIFYLCVQURATK-GFCCVEGCSA-N 1 1 195.350 3.321 10 0 AGAEMO CCCCC[N@@H+](C)C1CC(C)(C)C1 1460215733 1170576860 /nfs/dbraw/zinc/57/68/60/1170576860.db2.gz RBGOVHWTOQYEIJ-UHFFFAOYSA-N 1 1 183.339 3.297 10 0 AGAEMO CC/C=C\CC[N@@H+](C)C1CC(C)(C)C1 1460212946 1170576959 /nfs/dbraw/zinc/57/69/59/1170576959.db2.gz JAUYQFCVQQGVJG-SREVYHEPSA-N 1 1 195.350 3.463 10 0 AGAEMO CC[C@H](C)C[N@H+]1CC[C@@H](C)C(C)(C)C1 1459925383 1170577057 /nfs/dbraw/zinc/57/70/57/1170577057.db2.gz UVGVCMIUKMWZSL-NWDGAFQWSA-N 1 1 197.366 3.401 10 0 AGAEMO CC[C@@H](C)C[N@H+]1CC[C@H](C)C(C)(C)C1 1459925380 1170577103 /nfs/dbraw/zinc/57/71/03/1170577103.db2.gz UVGVCMIUKMWZSL-NEPJUHHUSA-N 1 1 197.366 3.401 10 0 AGAEMO CC[C@@H](C)C[N@H+]1CC[C@@H](C)C(C)(C)C1 1459925389 1170577143 /nfs/dbraw/zinc/57/71/43/1170577143.db2.gz UVGVCMIUKMWZSL-VXGBXAGGSA-N 1 1 197.366 3.401 10 0 AGAEMO CCC(CC)[N@@H+](CC)CC1CC=CC1 1460176922 1170577152 /nfs/dbraw/zinc/57/71/52/1170577152.db2.gz GEYDWZCGRSUMPI-UHFFFAOYSA-N 1 1 195.350 3.463 10 0 AGAEMO CCCCC[N@H+]1CC[C@H](C)[C@H]1CC 1459985218 1170577213 /nfs/dbraw/zinc/57/72/13/1170577213.db2.gz JPIPGQZAVXDPJA-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CC/C=C\CC[N@H+]1CC[C@H](C)[C@H](C)C1 1459771498 1170577416 /nfs/dbraw/zinc/57/74/16/1170577416.db2.gz ODDYAXWZNUXYTM-AGFGORMFSA-N 1 1 195.350 3.321 10 0 AGAEMO CC[C@H](C)C[N@H+]1CC[C@H](C)C(C)(C)C1 1459925385 1170577641 /nfs/dbraw/zinc/57/76/41/1170577641.db2.gz UVGVCMIUKMWZSL-RYUDHWBXSA-N 1 1 197.366 3.401 10 0 AGAEMO C=C/C=C\CC[N@H+](CC)C(C)(C)C 1460172119 1170577753 /nfs/dbraw/zinc/57/77/53/1170577753.db2.gz PJYGSUVISHWVSC-HJWRWDBZSA-N 1 1 181.323 3.239 10 0 AGAEMO CCCCC[N@H+]1[C@H](C)CCC1(C)C 1460229308 1170578108 /nfs/dbraw/zinc/57/81/08/1170578108.db2.gz CYJFNRQIWJESNE-LLVKDONJSA-N 1 1 183.339 3.440 10 0 AGAEMO C=C/C=C\CC[N@H+](CC)[C@@H](C)CC 1460407823 1170578142 /nfs/dbraw/zinc/57/81/42/1170578142.db2.gz KIPSAWOEMPGKHR-LAUAKBEESA-N 1 1 181.323 3.239 10 0 AGAEMO C=C/C=C/CC[N@H+](CC)[C@@H](C)CC 1460407810 1170578295 /nfs/dbraw/zinc/57/82/95/1170578295.db2.gz KIPSAWOEMPGKHR-BCPZQOPPSA-N 1 1 181.323 3.239 10 0 AGAEMO C/C=C/C[C@@H]1CCC[N@H+](CCC)C1 1460553595 1170578341 /nfs/dbraw/zinc/57/83/41/1170578341.db2.gz MBTSALVBTFVPLC-OGOUPESXSA-N 1 1 181.323 3.075 10 0 AGAEMO C/C=C\C[C@H]1CCC[N@@H+](CC(C)C)C1 1460558739 1170578373 /nfs/dbraw/zinc/57/83/73/1170578373.db2.gz VTIYVGIVSGPHAM-ZFDPJTLLSA-N 1 1 195.350 3.321 10 0 AGAEMO CCCCC[N@H+]1[C@@H](C)CCC1(C)C 1460229309 1170578423 /nfs/dbraw/zinc/57/84/23/1170578423.db2.gz CYJFNRQIWJESNE-NSHDSACASA-N 1 1 183.339 3.440 10 0 AGAEMO CCCCC[N@H+]1CCC[C@@H]1CCC 1460902272 1170578542 /nfs/dbraw/zinc/57/85/42/1170578542.db2.gz QSKCUYGXTNYOSU-LBPRGKRZSA-N 1 1 183.339 3.441 10 0 AGAEMO C=C/C=C\CC[N@H+](CC)[C@H](C)CC 1460407818 1170578610 /nfs/dbraw/zinc/57/86/10/1170578610.db2.gz KIPSAWOEMPGKHR-JLVNDZCYSA-N 1 1 181.323 3.239 10 0 AGAEMO C/C=C/C[C@H]1CCC[N@H+](CCC)C1 1460553597 1170579407 /nfs/dbraw/zinc/57/94/07/1170579407.db2.gz MBTSALVBTFVPLC-PYEVWLCESA-N 1 1 181.323 3.075 10 0 AGAEMO C=C/C=C/CC[N@H+](CC)[C@H](C)CC 1460407814 1170579458 /nfs/dbraw/zinc/57/94/58/1170579458.db2.gz KIPSAWOEMPGKHR-IDVQTMNDSA-N 1 1 181.323 3.239 10 0 AGAEMO C/C=C\C[C@@H]1CCC[N@@H+](CC(C)C)C1 1460558724 1170579787 /nfs/dbraw/zinc/57/97/87/1170579787.db2.gz VTIYVGIVSGPHAM-DSYXLKISSA-N 1 1 195.350 3.321 10 0 AGAEMO CCCCC[N@H+]1CCC[C@H]1CCC 1460902271 1170580079 /nfs/dbraw/zinc/58/00/79/1170580079.db2.gz QSKCUYGXTNYOSU-GFCCVEGCSA-N 1 1 183.339 3.441 10 0 AGAEMO C/C=C/C[C@@H]1CCC[N@@H+](CC(C)C)C1 1460558734 1170580398 /nfs/dbraw/zinc/58/03/98/1170580398.db2.gz VTIYVGIVSGPHAM-MUBLQREKSA-N 1 1 195.350 3.321 10 0 AGAEMO C/C=C\C[C@H]1CCC[N@H+](CCC)C1 1460553591 1170580505 /nfs/dbraw/zinc/58/05/05/1170580505.db2.gz MBTSALVBTFVPLC-FHMRSRPSSA-N 1 1 181.323 3.075 10 0 AGAEMO C/C=C\C[C@@H]1CCC[N@H+](CCC)C1 1460553592 1170580581 /nfs/dbraw/zinc/58/05/81/1170580581.db2.gz MBTSALVBTFVPLC-KTLBGCOUSA-N 1 1 181.323 3.075 10 0 AGAEMO CCCC[N@@H+](CCC1CC1)CC1CC1 1460509842 1170580628 /nfs/dbraw/zinc/58/06/28/1170580628.db2.gz LXYQXRCGNXYLBL-UHFFFAOYSA-N 1 1 195.350 3.299 10 0 AGAEMO C/C=C/C[C@H]1CCC[N@@H+](CC(C)C)C1 1460558731 1170580712 /nfs/dbraw/zinc/58/07/12/1170580712.db2.gz VTIYVGIVSGPHAM-IHVVCDCBSA-N 1 1 195.350 3.321 10 0 AGAEMO CCC[N@@H+](C[C@@H]1CC=CCC1)C(C)C 1462388517 1170583514 /nfs/dbraw/zinc/58/35/14/1170583514.db2.gz SDWYVXOIGYHWKB-CYBMUJFWSA-N 1 1 195.350 3.463 10 0 AGAEMO CCC[N@@H+](C[C@H]1CC=CCC1)C(C)C 1462388520 1170584271 /nfs/dbraw/zinc/58/42/71/1170584271.db2.gz SDWYVXOIGYHWKB-ZDUSSCGKSA-N 1 1 195.350 3.463 10 0 AGAEMO CC(C)=CCC[N@@H+]1CCC[C@H](C)CC1 1473133196 1170593747 /nfs/dbraw/zinc/59/37/47/1170593747.db2.gz RSYCFDGBSJTBQW-ZDUSSCGKSA-N 1 1 195.350 3.465 10 0 AGAEMO CC(C)=CCC[N@@H+]1CCC[C@@H](C)CC1 1473133194 1170593756 /nfs/dbraw/zinc/59/37/56/1170593756.db2.gz RSYCFDGBSJTBQW-CYBMUJFWSA-N 1 1 195.350 3.465 10 0 AGAEMO C[N@@H+](CCC(C)(C)C)CC1=CCCC1 1473584209 1170594513 /nfs/dbraw/zinc/59/45/13/1170594513.db2.gz QYPGWRBABZTIGI-UHFFFAOYSA-N 1 1 195.350 3.465 10 0 AGAEMO CC[C@H](C)[C@H](C)[N@H+]1CCC(C)=C(C)C1 1473431776 1170594601 /nfs/dbraw/zinc/59/46/01/1170594601.db2.gz LACRUACHFMCUGQ-GWCFXTLKSA-N 1 1 195.350 3.463 10 0 AGAEMO CC/C=C\CC[N@H+]1CC(C)(C)C[C@@H]1C 1473555449 1170594612 /nfs/dbraw/zinc/59/46/12/1170594612.db2.gz ZWNLWQMHFSEBSF-DGMVEKRQSA-N 1 1 195.350 3.463 10 0 AGAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCC(C)=C(C)C1 1473431777 1170594619 /nfs/dbraw/zinc/59/46/19/1170594619.db2.gz LACRUACHFMCUGQ-GXFFZTMASA-N 1 1 195.350 3.463 10 0 AGAEMO CC/C=C/CC[N@H+]1CC(C)(C)C[C@@H]1C 1473555452 1170594670 /nfs/dbraw/zinc/59/46/70/1170594670.db2.gz ZWNLWQMHFSEBSF-SYTKJHMZSA-N 1 1 195.350 3.463 10 0 AGAEMO C[N@H+](CC1=CCCC1)C[C@@H]1CC1(C)C 1473675307 1170594785 /nfs/dbraw/zinc/59/47/85/1170594785.db2.gz MQSHCMZEQCIUCR-LBPRGKRZSA-N 1 1 193.334 3.075 10 0 AGAEMO 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/nfs/dbraw/zinc/66/30/14/1170663014.db2.gz VJJCGPCVOQHMTE-ZDUSSCGKSA-N 1 1 193.334 3.361 10 0 AGAEMO CC(C)[N@H+]1CCC[C@@H](C2CCCC2)C1 1560225786 1170663099 /nfs/dbraw/zinc/66/30/99/1170663099.db2.gz BOKQVEAPYPXCFU-CYBMUJFWSA-N 1 1 195.350 3.297 10 0 AGAEMO C=C/C=C/CC[N@@H+](CC1CC1)C(C)C 1615953884 1170805839 /nfs/dbraw/zinc/80/58/39/1170805839.db2.gz CFJITYXRJSCTPS-AATRIKPKSA-N 1 1 193.334 3.239 10 0 AGAEMO C[C@@H]1CC[N@@H+](CC2=CCCC2)C[C@@H]1C 1616376106 1170805904 /nfs/dbraw/zinc/80/59/04/1170805904.db2.gz UWEAMEMNUAKKGV-NEPJUHHUSA-N 1 1 193.334 3.075 10 0 AGAEMO CC(C)=CCC[N@@H+]1CC[C@H](C(C)C)C1 1615861349 1170805958 /nfs/dbraw/zinc/80/59/58/1170805958.db2.gz DJHKUHXKNWUFEY-ZDUSSCGKSA-N 1 1 195.350 3.321 10 0 AGAEMO CCCCC[N@H+]1[C@@H](C)CC[C@H]1CC 1616678145 1170806171 /nfs/dbraw/zinc/80/61/71/1170806171.db2.gz PLLWHSBEDIBNIE-NWDGAFQWSA-N 1 1 183.339 3.440 10 0 AGAEMO CC(C)CCC[N@H+]1CC[C@@H](C)[C@@H](C)C1 1616376102 1170806188 /nfs/dbraw/zinc/80/61/88/1170806188.db2.gz UTOROSFYKWXHDB-OLZOCXBDSA-N 1 1 197.366 3.401 10 0 AGAEMO CC(C)CCC[N@H+]1CC[C@@H](C)[C@H](C)C1 1616376100 1170806207 /nfs/dbraw/zinc/80/62/07/1170806207.db2.gz UTOROSFYKWXHDB-CHWSQXEVSA-N 1 1 197.366 3.401 10 0 AGAEMO C=C/C=C/CC[N@H+]1[C@@H](C)CCC[C@H]1C 1615451112 1170806664 /nfs/dbraw/zinc/80/66/64/1170806664.db2.gz LFQDVXUNILUEDI-JARXHUJSSA-N 1 1 193.334 3.382 10 0 AGAEMO CC(C)=CCC[N@@H+]1CC[C@@H](C)[C@H](C)C1 1616376162 1170806880 /nfs/dbraw/zinc/80/68/80/1170806880.db2.gz VOCFSBFOTKJAIL-CHWSQXEVSA-N 1 1 195.350 3.321 10 0 AGAEMO CCCC[C@@H](CC)C[N@@H+]1CC=CCC1 1616601598 1170807234 /nfs/dbraw/zinc/80/72/34/1170807234.db2.gz WAWOOXJAOGEBDG-CYBMUJFWSA-N 1 1 195.350 3.465 10 0 AGAEMO C[C@@H]1C[N@H+](CC2=CCCC2)CC[C@H]1C 1616376115 1170807256 /nfs/dbraw/zinc/80/72/56/1170807256.db2.gz UWEAMEMNUAKKGV-VXGBXAGGSA-N 1 1 193.334 3.075 10 0 AGAEMO C=C/C=C\CC[N@@H+]1C[C@H](C)C[C@H]1CC 1615659352 1170807306 /nfs/dbraw/zinc/80/73/06/1170807306.db2.gz CQQAOMZKCCYKIX-ZSBJFDRYSA-N 1 1 193.334 3.239 10 0 AGAEMO CC(C)=CCC[N@@H+]1CC[C@H](C)[C@@H](C)C1 1616376165 1170807317 /nfs/dbraw/zinc/80/73/17/1170807317.db2.gz VOCFSBFOTKJAIL-STQMWFEESA-N 1 1 195.350 3.321 10 0 AGAEMO CCCCC[N@H+]1[C@H](C)CC[C@H]1CC 1616678148 1170807528 /nfs/dbraw/zinc/80/75/28/1170807528.db2.gz PLLWHSBEDIBNIE-VXGBXAGGSA-N 1 1 183.339 3.440 10 0 AGAEMO CC(C)CCC[N@H+]1CC[C@H](C)[C@H](C)C1 1616376103 1170807636 /nfs/dbraw/zinc/80/76/36/1170807636.db2.gz UTOROSFYKWXHDB-QWHCGFSZSA-N 1 1 197.366 3.401 10 0 AGAEMO C=C/C=C\CC[N@@H+](CC1CC1)C(C)C 1615953886 1170807744 /nfs/dbraw/zinc/80/77/44/1170807744.db2.gz CFJITYXRJSCTPS-WAYWQWQTSA-N 1 1 193.334 3.239 10 0 AGAEMO C=C/C=C/CC[N@@H+]1CC[C@H](C(C)C)C1 1615861885 1170807774 /nfs/dbraw/zinc/80/77/74/1170807774.db2.gz PXSPBENMEMWYKR-GFUIURDCSA-N 1 1 193.334 3.097 10 0 AGAEMO CC(C)=CCC[N@H+]1C[C@@H](C)CC[C@H]1C 1615644464 1170807959 /nfs/dbraw/zinc/80/79/59/1170807959.db2.gz PYQCCKOVCLKPSQ-QWHCGFSZSA-N 1 1 195.350 3.463 10 0 AGAEMO C[C@H]1CC[N@@H+](CC2=CCCC2)C[C@H]1C 1616376112 1170808128 /nfs/dbraw/zinc/80/81/28/1170808128.db2.gz UWEAMEMNUAKKGV-NWDGAFQWSA-N 1 1 193.334 3.075 10 0 AGAEMO CC(C)=CCC[N@H+]1C[C@@H](C)CC[C@@H]1C 1615644465 1170808176 /nfs/dbraw/zinc/80/81/76/1170808176.db2.gz PYQCCKOVCLKPSQ-STQMWFEESA-N 1 1 195.350 3.463 10 0 AGAEMO C=C/C=C/CC[N@@H+]1C[C@H](C)C[C@H]1CC 1615659345 1170808234 /nfs/dbraw/zinc/80/82/34/1170808234.db2.gz CQQAOMZKCCYKIX-AMRKSYTLSA-N 1 1 193.334 3.239 10 0 AGAEMO CC(C)=CCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 1616376163 1170808338 /nfs/dbraw/zinc/80/83/38/1170808338.db2.gz VOCFSBFOTKJAIL-OLZOCXBDSA-N 1 1 195.350 3.321 10 0 AGAEMO C=C/C=C/CC[N@@H+]1CC[C@@H](C(C)C)C1 1615861888 1170808468 /nfs/dbraw/zinc/80/84/68/1170808468.db2.gz PXSPBENMEMWYKR-URWSZGRFSA-N 1 1 193.334 3.097 10 0 AGAEMO CC(C)=CCC[N@H+]1C[C@H](C)CC[C@H]1C 1615644462 1170808493 /nfs/dbraw/zinc/80/84/93/1170808493.db2.gz PYQCCKOVCLKPSQ-CHWSQXEVSA-N 1 1 195.350 3.463 10 0 AGAEMO CCCCC[N@@H+]1[C@@H](CC)CC[C@H]1C 1616678144 1170808564 /nfs/dbraw/zinc/80/85/64/1170808564.db2.gz PLLWHSBEDIBNIE-NEPJUHHUSA-N 1 1 183.339 3.440 10 0 AGAEMO CC(C)=CCC[N@H+]1C[C@H](C)CC[C@@H]1C 1615644463 1170808586 /nfs/dbraw/zinc/80/85/86/1170808586.db2.gz PYQCCKOVCLKPSQ-OLZOCXBDSA-N 1 1 195.350 3.463 10 0 AGAEMO CCCC[C@H](CC)C[N@@H+]1CC=CCC1 1616601599 1170808822 /nfs/dbraw/zinc/80/88/22/1170808822.db2.gz WAWOOXJAOGEBDG-ZDUSSCGKSA-N 1 1 195.350 3.465 10 0 AGAEMO C=C/C=C\CC[N@@H+]1CC[C@@H](C(C)C)C1 1615861884 1170808853 /nfs/dbraw/zinc/80/88/53/1170808853.db2.gz PXSPBENMEMWYKR-CFHLNLSMSA-N 1 1 193.334 3.097 10 0 AGAEMO C=C/C=C/CC[N@@H+]1C[C@H](C)C[C@@H]1CC 1615659349 1170808903 /nfs/dbraw/zinc/80/89/03/1170808903.db2.gz CQQAOMZKCCYKIX-VWWYUBIBSA-N 1 1 193.334 3.239 10 0 AGAEMO C=C/C=C\CC[N@@H+]1C[C@H](C)C[C@@H]1CC 1615659346 1170808915 /nfs/dbraw/zinc/80/89/15/1170808915.db2.gz CQQAOMZKCCYKIX-FAVCKAPTSA-N 1 1 193.334 3.239 10 0 AGAEMO CC1(C)CCC[N@H+]1CCCC1CC1 1615514785 1170809068 /nfs/dbraw/zinc/80/90/68/1170809068.db2.gz MWVBGUJYSDJNFG-UHFFFAOYSA-N 1 1 181.323 3.051 10 0 AGAEMO C[C@H]1CC[N@@H+](CC2=CCCC2)C[C@@H]1C 1616376113 1170809104 /nfs/dbraw/zinc/80/91/04/1170809104.db2.gz UWEAMEMNUAKKGV-RYUDHWBXSA-N 1 1 193.334 3.075 10 0 AGAEMO CC(C)=CCC[N@@H+]1CC[C@@H](C(C)C)C1 1615861348 1170809167 /nfs/dbraw/zinc/80/91/67/1170809167.db2.gz DJHKUHXKNWUFEY-CYBMUJFWSA-N 1 1 195.350 3.321 10 0 AGAEMO CC(C)=CCC[N@@H+]1CC[C@H](C)[C@H](C)C1 1616376164 1170809229 /nfs/dbraw/zinc/80/92/29/1170809229.db2.gz VOCFSBFOTKJAIL-QWHCGFSZSA-N 1 1 195.350 3.321 10 0 AGAEMO CC(C)CCC[N@H+]1CC[C@H](C)[C@@H](C)C1 1616376104 1170809247 /nfs/dbraw/zinc/80/92/47/1170809247.db2.gz UTOROSFYKWXHDB-STQMWFEESA-N 1 1 197.366 3.401 10 0 AGAEMO CCCCC[N@H+]1[C@@H](C)CC[C@@H]1CC 1616678146 1170809297 /nfs/dbraw/zinc/80/92/97/1170809297.db2.gz PLLWHSBEDIBNIE-RYUDHWBXSA-N 1 1 183.339 3.440 10 0 AGAEMO C=C/C=C\CC[N@H+]1[C@@H](C)CCC[C@H]1C 1615451114 1170809648 /nfs/dbraw/zinc/80/96/48/1170809648.db2.gz LFQDVXUNILUEDI-QXXLOIIESA-N 1 1 193.334 3.382 10 0 AGAEMO C=C/C=C\CC[N@@H+]1CC[C@H](C(C)C)C1 1615861886 1170809804 /nfs/dbraw/zinc/80/98/04/1170809804.db2.gz PXSPBENMEMWYKR-SZZPACECSA-N 1 1 193.334 3.097 10 0 AGAEMO CC[C@@H]1C[C@H]1C[N@H+]1CCCCC[C@@H]1C 1617338000 1170810432 /nfs/dbraw/zinc/81/04/32/1170810432.db2.gz CWNSQRYLIXISLD-XQQFMLRXSA-N 1 1 195.350 3.297 10 0 AGAEMO C=C/C=C/CC[N@H+](CC)CC1CCC1 1617482761 1170810474 /nfs/dbraw/zinc/81/04/74/1170810474.db2.gz DNARHEPOINIPQE-AATRIKPKSA-N 1 1 193.334 3.241 10 0 AGAEMO CC[C@@H]1C[C@H]1C[N@H+]1CCCCC[C@H]1C 1617337999 1170812040 /nfs/dbraw/zinc/81/20/40/1170812040.db2.gz CWNSQRYLIXISLD-UPJWGTAASA-N 1 1 195.350 3.297 10 0 AGAEMO C=C/C=C\CC[N@H+](CC)CC1CCC1 1617482762 1170813696 /nfs/dbraw/zinc/81/36/96/1170813696.db2.gz DNARHEPOINIPQE-WAYWQWQTSA-N 1 1 193.334 3.241 10 0 AGAEMO C[C@@H]1CC(C)(C)C[N@H+]1CC1=CCCC1 1618583278 1170815939 /nfs/dbraw/zinc/81/59/39/1170815939.db2.gz ROTNIAOLNDDFJR-LLVKDONJSA-N 1 1 193.334 3.217 10 0 AGAEMO C[C@H]1CC(C)(C)C[N@H+]1CC1=CCCC1 1618583279 1170816107 /nfs/dbraw/zinc/81/61/07/1170816107.db2.gz ROTNIAOLNDDFJR-NSHDSACASA-N 1 1 193.334 3.217 10 0 AGAEMO CCC(C)(C)CC[N@H+]1CC2CC1(C)C2 1620444277 1170816359 /nfs/dbraw/zinc/81/63/59/1170816359.db2.gz YRLFBYREKLBXBE-UHFFFAOYSA-N 1 1 195.350 3.297 10 0 AGAEMO CCC[N@H+]1CCC[C@@H](C2CCC2)CC1 1620525363 1170817092 /nfs/dbraw/zinc/81/70/92/1170817092.db2.gz JZXDORDOABTGQM-CYBMUJFWSA-N 1 1 195.350 3.299 10 0 AGAEMO CCC1(CC)CCC[N@H+]1CC1CC1 1620555165 1170817151 /nfs/dbraw/zinc/81/71/51/1170817151.db2.gz UYHYYRAXPHQWMS-UHFFFAOYSA-N 1 1 181.323 3.051 10 0 AGAEMO CC/C=C/CC[N@@H+](C)C[C@H]1CC1(C)C 1620455613 1170817883 /nfs/dbraw/zinc/81/78/83/1170817883.db2.gz VPBIKXYQKUINDY-NNNHXZLVSA-N 1 1 195.350 3.321 10 0 AGAEMO CCC[N@H+]1CCCC1(CC)CC 1620555085 1170818022 /nfs/dbraw/zinc/81/80/22/1170818022.db2.gz OTHZMKRANDVVEZ-UHFFFAOYSA-N 1 1 169.312 3.051 10 0 AGAEMO CCC[N@H+]1CCC[C@H](C2CCC2)CC1 1620525364 1170818169 /nfs/dbraw/zinc/81/81/69/1170818169.db2.gz JZXDORDOABTGQM-ZDUSSCGKSA-N 1 1 195.350 3.299 10 0 AGAEMO CCC[C@H](C)[N@H+]1CCCC2(CC1)CC2 1620467893 1170818779 /nfs/dbraw/zinc/81/87/79/1170818779.db2.gz OKUGBMBSQFYGCE-LBPRGKRZSA-N 1 1 195.350 3.441 10 0 AGAEMO C=C/C=C/CC[N@H+](C)CCC(C)(C)C 1618820719 1170818794 /nfs/dbraw/zinc/81/87/94/1170818794.db2.gz LJLOAHBESHETSY-BQYQJAHWSA-N 1 1 195.350 3.487 10 0 AGAEMO CC/C=C/CC[N@@H+](C)C[C@@H]1CC1(C)C 1620455614 1170819868 /nfs/dbraw/zinc/81/98/68/1170819868.db2.gz VPBIKXYQKUINDY-SYTKJHMZSA-N 1 1 195.350 3.321 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CCCC2(CC1)CC2 1620467892 1170819960 /nfs/dbraw/zinc/81/99/60/1170819960.db2.gz OKUGBMBSQFYGCE-GFCCVEGCSA-N 1 1 195.350 3.441 10 0 AGAEMO C=C/C=C\CC[N@H+](C)CCC(C)(C)C 1618820720 1170820099 /nfs/dbraw/zinc/82/00/99/1170820099.db2.gz LJLOAHBESHETSY-FPLPWBNLSA-N 1 1 195.350 3.487 10 0 AGAEMO CCC[C@@H]1CCC[N@H+]1CCCCF 1620643487 1170820920 /nfs/dbraw/zinc/82/09/20/1170820920.db2.gz IMXZWHMQVPLRGG-LLVKDONJSA-N 1 1 187.302 3.001 10 0 AGAEMO CCC[C@H]1CCC[N@H+]1C[Si](C)(C)C 1620643728 1170821672 /nfs/dbraw/zinc/82/16/72/1170821672.db2.gz OYVDDXMHMFPLNA-NSHDSACASA-N 1 1 199.414 3.128 10 0 AGAEMO CCC[C@@H]1CCC[N@H+]1C[Si](C)(C)C 1620643727 1170822016 /nfs/dbraw/zinc/82/20/16/1170822016.db2.gz OYVDDXMHMFPLNA-LLVKDONJSA-N 1 1 199.414 3.128 10 0 AGAEMO CCC[C@H]1CCC[N@H+]1CCCCF 1620643488 1170822863 /nfs/dbraw/zinc/82/28/63/1170822863.db2.gz IMXZWHMQVPLRGG-NSHDSACASA-N 1 1 187.302 3.001 10 0 AGAEMO C[N@@H+](CC1CCC1)CC1CC(C)(C)C1 1620642405 1170823867 /nfs/dbraw/zinc/82/38/67/1170823867.db2.gz UEKGTIPCGCVLSH-UHFFFAOYSA-N 1 1 195.350 3.155 10 0 AGAEMO CC[C@@]1(C)CC[N@@H+](CCC=C(C)C)C1 1642276538 1170863085 /nfs/dbraw/zinc/86/30/85/1170863085.db2.gz DFCXTEAMEGXDEN-ZDUSSCGKSA-N 1 1 195.350 3.465 10 0 AGAEMO CC(C)C[N@@H+](CC1=CCCC1)C(C)C 1641505531 1170859505 /nfs/dbraw/zinc/85/95/05/1170859505.db2.gz FTTZXXXDRXYGPV-UHFFFAOYSA-N 1 1 195.350 3.463 10 0 AGAEMO CC[N@@H+](CC1CC2(CCC2)C1)C(C)C 1641554726 1170859824 /nfs/dbraw/zinc/85/98/24/1170859824.db2.gz RPNQCUUFBHDUJW-UHFFFAOYSA-N 1 1 195.350 3.297 10 0 AGAEMO CC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 1642016969 1170860312 /nfs/dbraw/zinc/86/03/12/1170860312.db2.gz ZRVSDLUVGHQDQQ-LLVKDONJSA-N 1 1 195.350 3.155 10 0 AGAEMO C=C/C=C/CC[N@@H+]1CC[C@@](C)(CC)C1 1642281527 1170860356 /nfs/dbraw/zinc/86/03/56/1170860356.db2.gz OFAYQDCYQQXEFS-KTRBRXNASA-N 1 1 193.334 3.241 10 0 AGAEMO CCCCC[N@H+]1CC[C@@H](C)[C@H](C)C1 1642294047 1170860392 /nfs/dbraw/zinc/86/03/92/1170860392.db2.gz OHQBQWDKNVXSEX-VXGBXAGGSA-N 1 1 183.339 3.155 10 0 AGAEMO CC[C@H]1C[C@@H](C)C[N@H+]1CC1=CCCC1 1641879151 1170860533 /nfs/dbraw/zinc/86/05/33/1170860533.db2.gz DDPMXOCMTPGNFQ-YPMHNXCESA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)[C@H]1CC[N@@H+](CCCC2CC2)C1 1642007800 1170860803 /nfs/dbraw/zinc/86/08/03/1170860803.db2.gz QCOUFCCUZLWPFN-ZDUSSCGKSA-N 1 1 195.350 3.155 10 0 AGAEMO C=C/C=C\CC[N@@H+]1CC[C@@](C)(CC)C1 1642281525 1170860892 /nfs/dbraw/zinc/86/08/92/1170860892.db2.gz OFAYQDCYQQXEFS-FMFIFOJESA-N 1 1 193.334 3.241 10 0 AGAEMO CC[C@@H]1C[C@H](C)C[N@H+]1CC1=CCCC1 1641879150 1170861114 /nfs/dbraw/zinc/86/11/14/1170861114.db2.gz DDPMXOCMTPGNFQ-WCQYABFASA-N 1 1 193.334 3.217 10 0 AGAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC1=CCCC1 1641879149 1170861207 /nfs/dbraw/zinc/86/12/07/1170861207.db2.gz DDPMXOCMTPGNFQ-DGCLKSJQSA-N 1 1 193.334 3.217 10 0 AGAEMO CC/C=C\CC[N@H+]1C[C@H](C)CC[C@@H]1C 1641861125 1170861402 /nfs/dbraw/zinc/86/14/02/1170861402.db2.gz PDYTVXWUOZMGBZ-QLQVPFRHSA-N 1 1 195.350 3.463 10 0 AGAEMO CC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 1642016970 1170861490 /nfs/dbraw/zinc/86/14/90/1170861490.db2.gz ZRVSDLUVGHQDQQ-NSHDSACASA-N 1 1 195.350 3.155 10 0 AGAEMO CC/C=C/CC[N@H+]1C[C@H](C)CC[C@@H]1C 1641861124 1170861536 /nfs/dbraw/zinc/86/15/36/1170861536.db2.gz PDYTVXWUOZMGBZ-PBJSTTKNSA-N 1 1 195.350 3.463 10 0 AGAEMO CC/C=C\CC[N@H+]1C[C@H](C)CC[C@H]1C 1641861123 1170861633 /nfs/dbraw/zinc/86/16/33/1170861633.db2.gz PDYTVXWUOZMGBZ-NTQVKLLNSA-N 1 1 195.350 3.463 10 0 AGAEMO CCCCC[N@H+]1CC[C@@H](C)[C@@H](C)C1 1642294044 1170861661 /nfs/dbraw/zinc/86/16/61/1170861661.db2.gz OHQBQWDKNVXSEX-NEPJUHHUSA-N 1 1 183.339 3.155 10 0 AGAEMO CCCCC[N@H+]1CC[C@H](C)[C@H](C)C1 1642294045 1170861835 /nfs/dbraw/zinc/86/18/35/1170861835.db2.gz OHQBQWDKNVXSEX-NWDGAFQWSA-N 1 1 183.339 3.155 10 0 AGAEMO CC[C@]1(C)CC[N@@H+](CCC=C(C)C)C1 1642276537 1170861934 /nfs/dbraw/zinc/86/19/34/1170861934.db2.gz DFCXTEAMEGXDEN-CYBMUJFWSA-N 1 1 195.350 3.465 10 0 AGAEMO C=C/C=C/CC[N@@H+]1CC[C@](C)(CC)C1 1642281528 1170862195 /nfs/dbraw/zinc/86/21/95/1170862195.db2.gz OFAYQDCYQQXEFS-YBJDMEARSA-N 1 1 193.334 3.241 10 0 AGAEMO CC(C)[C@@H]1CC[N@@H+](CCCC2CC2)C1 1642007799 1170863368 /nfs/dbraw/zinc/86/33/68/1170863368.db2.gz QCOUFCCUZLWPFN-CYBMUJFWSA-N 1 1 195.350 3.155 10 0 AGAEMO CC1CC(C[N@@H+]2CC[C@H](C(C)C)C2)C1 1642008217 1170863712 /nfs/dbraw/zinc/86/37/12/1170863712.db2.gz UZOQIQPKOYKCAS-BPCQOVAHSA-N 1 1 195.350 3.010 10 0 AGAEMO CC/C=C/CC[N@H+]1C[C@H](C)CC[C@H]1C 1641861122 1170863871 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XTFYWEPWRFZNTC-QMMMGPOBSA-N 1 1 193.281 3.056 10 0 AGAEMO C[NH2+][C@H](CCCC(C)(C)C)C(F)F 300954758 572142064 /nfs/dbraw/zinc/14/20/64/572142064.db2.gz XTFYWEPWRFZNTC-MRVPVSSYSA-N 1 1 193.281 3.056 10 0 AGAEMO CCC[C@@H](C)Cn1cc[nH+]c1C(C)C 69950229 572162166 /nfs/dbraw/zinc/16/21/66/572162166.db2.gz GBMDBECTSHDWPR-LLVKDONJSA-N 1 1 194.322 3.443 10 0 AGAEMO CCC[C@@H](C)CCc1ccc[nH+]c1N 69944270 572162589 /nfs/dbraw/zinc/16/25/89/572162589.db2.gz QSCVLPAHJXPFGR-SNVBAGLBSA-N 1 1 192.306 3.033 10 0 AGAEMO CCC[C@H](C)Cn1cc[nH+]c1C(C)C 69950230 572163218 /nfs/dbraw/zinc/16/32/18/572163218.db2.gz GBMDBECTSHDWPR-NSHDSACASA-N 1 1 194.322 3.443 10 0 AGAEMO CCC[C@H](C)CCc1ccc[nH+]c1N 69944271 572163628 /nfs/dbraw/zinc/16/36/28/572163628.db2.gz QSCVLPAHJXPFGR-JTQLQIEISA-N 1 1 192.306 3.033 10 0 AGAEMO CCCc1[nH+]ccn1C[C@@H](C)CCC 69963963 572164492 /nfs/dbraw/zinc/16/44/92/572164492.db2.gz QLGVELKDISFTQN-NSHDSACASA-N 1 1 194.322 3.272 10 0 AGAEMO CCCCCCNc1[nH+]cccc1C 70020118 572165453 /nfs/dbraw/zinc/16/54/53/572165453.db2.gz DUTOOQPYFXQBTC-UHFFFAOYSA-N 1 1 192.306 3.382 10 0 AGAEMO CCCCCCNc1ccc(C)c[nH+]1 70020114 572167508 /nfs/dbraw/zinc/16/75/08/572167508.db2.gz WFAKXOSCXPYHRE-UHFFFAOYSA-N 1 1 192.306 3.382 10 0 AGAEMO CCCC[N@@H+](C)C1(C)CCCC1 393346293 572169541 /nfs/dbraw/zinc/16/95/41/572169541.db2.gz CMEWKLZWJKSANZ-UHFFFAOYSA-N 1 1 169.312 3.051 10 0 AGAEMO CCC(CC)[N@H+]1CCC[C@H](CC)C1 221050569 572185564 /nfs/dbraw/zinc/18/55/64/572185564.db2.gz HIPHTNVCUHRTFC-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO Cc1cc[nH+]c(NC2(C)CCCC2)c1 43561606 572199710 /nfs/dbraw/zinc/19/97/10/572199710.db2.gz AEHGONJGSZZQDF-UHFFFAOYSA-N 1 1 190.290 3.135 10 0 AGAEMO CCC[C@H]1SCC[N@H+]1C1CCCC1 687713406 572227705 /nfs/dbraw/zinc/22/77/05/572227705.db2.gz YXBQQDFPIVWETN-LLVKDONJSA-N 1 1 199.363 3.104 10 0 AGAEMO CCC[C@@H]1SCC[N@H+]1C1CCCC1 687713407 572228017 /nfs/dbraw/zinc/22/80/17/572228017.db2.gz YXBQQDFPIVWETN-NSHDSACASA-N 1 1 199.363 3.104 10 0 AGAEMO CC(C)[N@H+](C1CCCC1)C1CCC1 687713387 572229385 /nfs/dbraw/zinc/22/93/85/572229385.db2.gz DLZQDMWPXDCSNQ-UHFFFAOYSA-N 1 1 181.323 3.192 10 0 AGAEMO CCC(CC)[NH2+]c1ccc(N)cc1C 36950101 572230046 /nfs/dbraw/zinc/23/00/46/572230046.db2.gz VHUBYYYIFDPDSZ-UHFFFAOYSA-N 1 1 192.306 3.178 10 0 AGAEMO C[C@H]1CCC[C@@H](C)[N@H+]1C1CCCC1 687713556 572232330 /nfs/dbraw/zinc/23/23/30/572232330.db2.gz YVHKQJJAZVTCFB-PHIMTYICSA-N 1 1 181.323 3.192 10 0 AGAEMO CCC[C@@H](C)[N@@H+](C)C1CCCCC1 687713638 572232429 /nfs/dbraw/zinc/23/24/29/572232429.db2.gz QLHQVNCCXAEHMO-LLVKDONJSA-N 1 1 183.339 3.440 10 0 AGAEMO CCC[C@H](C)[N@@H+](C)C1CCCCC1 687713639 572232730 /nfs/dbraw/zinc/23/27/30/572232730.db2.gz QLHQVNCCXAEHMO-NSHDSACASA-N 1 1 183.339 3.440 10 0 AGAEMO CCC(CC)[N@@H+](C)C1CCCC1 687714541 572248498 /nfs/dbraw/zinc/24/84/98/572248498.db2.gz NCVDPHIIEFQFQW-UHFFFAOYSA-N 1 1 169.312 3.049 10 0 AGAEMO CCC(CC)[N@@H+](C(C)C)C1CC1 687714577 572248523 /nfs/dbraw/zinc/24/85/23/572248523.db2.gz VHMREOGTPVLGSK-UHFFFAOYSA-N 1 1 169.312 3.048 10 0 AGAEMO CCCC(CCC)[N@@H+](C)C1CC1 307981128 572333715 /nfs/dbraw/zinc/33/37/15/572333715.db2.gz ORCIUQPPCJRJSU-UHFFFAOYSA-N 1 1 169.312 3.049 10 0 AGAEMO CCCCCC[N@H+]1CCC1(C)C 307982025 572337282 /nfs/dbraw/zinc/33/72/82/572337282.db2.gz PFSHRUMYUYSPIE-UHFFFAOYSA-N 1 1 169.312 3.051 10 0 AGAEMO CC[N@@H+](C)[C@@H]1C[C@H](C)CC(C)(C)C1 60248303 572339415 /nfs/dbraw/zinc/33/94/15/572339415.db2.gz LHPWUZZXRWCAFI-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO CCCC(CCC)[N@@H+](C)CCC 307992954 572367797 /nfs/dbraw/zinc/36/77/97/572367797.db2.gz UWFFKZISIWMRNP-UHFFFAOYSA-N 1 1 171.328 3.297 10 0 AGAEMO CCC[N@@H+](C)[C@H](C)CCC(C)C 307996206 572373584 /nfs/dbraw/zinc/37/35/84/572373584.db2.gz WKSVBXJRLMEGJG-LLVKDONJSA-N 1 1 171.328 3.153 10 0 AGAEMO CCC[N@@H+](C)[C@H](C)c1ccsc1 307996292 572374416 /nfs/dbraw/zinc/37/44/16/572374416.db2.gz WNIOKUUAVDQLSU-SECBINFHSA-N 1 1 183.320 3.151 10 0 AGAEMO CCC[N@@H+](C)[C@@H](C)c1ccsc1 307996294 572374665 /nfs/dbraw/zinc/37/46/65/572374665.db2.gz WNIOKUUAVDQLSU-VIFPVBQESA-N 1 1 183.320 3.151 10 0 AGAEMO CCC[N@@H+](C)[C@@H](C)CCC(C)C 307996207 572375873 /nfs/dbraw/zinc/37/58/73/572375873.db2.gz WKSVBXJRLMEGJG-NSHDSACASA-N 1 1 171.328 3.153 10 0 AGAEMO CCCCCNc1ccc(C)[nH+]c1C 87151609 572377888 /nfs/dbraw/zinc/37/78/88/572377888.db2.gz UPCQEWVMRPTOST-UHFFFAOYSA-N 1 1 192.306 3.301 10 0 AGAEMO CCCc1[nH+]ccn1C(CC)CC 87174338 572384363 /nfs/dbraw/zinc/38/43/63/572384363.db2.gz JNKKELVXEWBRQS-UHFFFAOYSA-N 1 1 180.295 3.197 10 0 AGAEMO CCOC(=[NH2+])C1CCC(C(C)C)CC1 83780989 572409008 /nfs/dbraw/zinc/40/90/08/572409008.db2.gz DCRISSGVIUJDRP-UHFFFAOYSA-N 1 1 197.322 3.463 10 0 AGAEMO CCCC1CCC(C(=[NH2+])OC)CC1 83780987 572409997 /nfs/dbraw/zinc/40/99/97/572409997.db2.gz BZKSLGZRWXNQFT-UHFFFAOYSA-N 1 1 183.295 3.217 10 0 AGAEMO CCOC(=[NH2+])C1CCC(CC)CC1 83778363 572410292 /nfs/dbraw/zinc/41/02/92/572410292.db2.gz HKHMNAOADJCSIC-UHFFFAOYSA-N 1 1 183.295 3.217 10 0 AGAEMO CCOC(=[NH2+])[C@H]1CCC[C@H](CC)C1 83789140 572414673 /nfs/dbraw/zinc/41/46/73/572414673.db2.gz UKTALAHNAIAIOW-UWVGGRQHSA-N 1 1 183.295 3.217 10 0 AGAEMO CCOC(=[NH2+])[C@H]1CCC[C@@H](CC)C1 83789138 572416496 /nfs/dbraw/zinc/41/64/96/572416496.db2.gz UKTALAHNAIAIOW-ZJUUUORDSA-N 1 1 183.295 3.217 10 0 AGAEMO CC[C@@H](C)c1[nH]c[nH+]c1[C@H](C)CC 238798882 572422583 /nfs/dbraw/zinc/42/25/83/572422583.db2.gz PNTRTBITKJFYEF-RKDXNWHRSA-N 1 1 180.295 3.437 10 0 AGAEMO CC[N@@H+](C)[C@@H](C)CCCC(C)C 308027186 572447164 /nfs/dbraw/zinc/44/71/64/572447164.db2.gz HPJTTWPQMQMKJV-NSHDSACASA-N 1 1 171.328 3.153 10 0 AGAEMO CC[N@@H+](C)[C@H](C)CCCC(C)C 308027181 572450235 /nfs/dbraw/zinc/45/02/35/572450235.db2.gz HPJTTWPQMQMKJV-LLVKDONJSA-N 1 1 171.328 3.153 10 0 AGAEMO CC1=CCC(=[NH+]c2ccccc2)NC=C1 238257643 572470121 /nfs/dbraw/zinc/47/01/21/572470121.db2.gz WOQPITPYVMMCOG-UHFFFAOYSA-N 1 1 198.269 3.361 10 0 AGAEMO CC[C@H](C)[N@@H+](C(C)C)C1CCC1 308039883 572471851 /nfs/dbraw/zinc/47/18/51/572471851.db2.gz MTVISTFOULRCNB-JTQLQIEISA-N 1 1 169.312 3.048 10 0 AGAEMO CC[C@@H](C)[N@@H+](C(C)C)C1CCC1 308039884 572472155 /nfs/dbraw/zinc/47/21/55/572472155.db2.gz MTVISTFOULRCNB-SNVBAGLBSA-N 1 1 169.312 3.048 10 0 AGAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)[C@H](C)CC 308051100 572515522 /nfs/dbraw/zinc/51/55/22/572515522.db2.gz SATPGNACISEYHO-HBNTYKKESA-N 1 1 171.328 3.151 10 0 AGAEMO C/C=C/C[N@H+](C)[C@H](C)CCCC 308047201 572514536 /nfs/dbraw/zinc/51/45/36/572514536.db2.gz PZGMYTGOKLEDEU-LXSSAFMLSA-N 1 1 169.312 3.073 10 0 AGAEMO C/C=C\C[N@H+](C)[C@@H](C)CCCC 308047200 572514711 /nfs/dbraw/zinc/51/47/11/572514711.db2.gz PZGMYTGOKLEDEU-JYKYSHPRSA-N 1 1 169.312 3.073 10 0 AGAEMO CCC/C=C\CC[N@@H+](C)CCC 308051655 572514861 /nfs/dbraw/zinc/51/48/61/572514861.db2.gz SHLVOXFARGRINY-FPLPWBNLSA-N 1 1 169.312 3.075 10 0 AGAEMO C/C=C/C[N@H+](C)[C@@H](C)CCCC 308047199 572515584 /nfs/dbraw/zinc/51/55/84/572515584.db2.gz PZGMYTGOKLEDEU-IOCXFXADSA-N 1 1 169.312 3.073 10 0 AGAEMO CCC/C=C/CC[N@@H+](C)CCC 308051654 572515946 /nfs/dbraw/zinc/51/59/46/572515946.db2.gz SHLVOXFARGRINY-BQYQJAHWSA-N 1 1 169.312 3.075 10 0 AGAEMO C/C=C\C[N@H+](C)[C@H](C)CCCC 308047198 572516306 /nfs/dbraw/zinc/51/63/06/572516306.db2.gz PZGMYTGOKLEDEU-BPOWMSRESA-N 1 1 169.312 3.073 10 0 AGAEMO CC[C@H](C)c1[nH+]c[nH]c1[C@H](C)CC 238283049 572517285 /nfs/dbraw/zinc/51/72/85/572517285.db2.gz PNTRTBITKJFYEF-DTORHVGOSA-N 1 1 180.295 3.437 10 0 AGAEMO CC[C@H](C)c1[nH]c[nH+]c1[C@@H](C)CC 238283035 572517607 /nfs/dbraw/zinc/51/76/07/572517607.db2.gz PNTRTBITKJFYEF-IUCAKERBSA-N 1 1 180.295 3.437 10 0 AGAEMO CC[C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)CC 308051092 572522555 /nfs/dbraw/zinc/52/25/55/572522555.db2.gz SATPGNACISEYHO-DCAQKATOSA-N 1 1 171.328 3.151 10 0 AGAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)[C@@H](C)CC 308051095 572524051 /nfs/dbraw/zinc/52/40/51/572524051.db2.gz SATPGNACISEYHO-GARJFASQSA-N 1 1 171.328 3.151 10 0 AGAEMO c1cc(NC2CCC2)c2c[nH+]ccc2c1 87521274 572548736 /nfs/dbraw/zinc/54/87/36/572548736.db2.gz MNOFCYYDDKIHRM-UHFFFAOYSA-N 1 1 198.269 3.199 10 0 AGAEMO CC(C)C[C@@H](C)[N@@H+](C)C/C=C/Cl 308065435 572578612 /nfs/dbraw/zinc/57/86/12/572578612.db2.gz YMBAWMNBMIOSFR-BRAIEQGRSA-N 1 1 189.730 3.105 10 0 AGAEMO CC(C)C[C@H](C)[N@@H+](C)C/C=C\Cl 308065436 572579781 /nfs/dbraw/zinc/57/97/81/572579781.db2.gz YMBAWMNBMIOSFR-OMMCCPJFSA-N 1 1 189.730 3.105 10 0 AGAEMO Clc1ccccc1C1=CCCC[NH2+]1 689685230 572617222 /nfs/dbraw/zinc/61/72/22/572617222.db2.gz NUDQZKKDJGBBPN-UHFFFAOYSA-N 1 1 193.677 3.064 10 0 AGAEMO CCCc1[nH+]ccn1C[C@H](C)CCC 69963965 572617266 /nfs/dbraw/zinc/61/72/66/572617266.db2.gz QLGVELKDISFTQN-LLVKDONJSA-N 1 1 194.322 3.272 10 0 AGAEMO CC/C=C\[C@@H]1CCCC[N@@H+]1CCC 255989887 572620572 /nfs/dbraw/zinc/62/05/72/572620572.db2.gz NIFRYKOSCCZPBV-VVEJJEBESA-N 1 1 181.323 3.217 10 0 AGAEMO CCCCCC[N@H+]1CC[C@H]1CC 308078838 572627668 /nfs/dbraw/zinc/62/76/68/572627668.db2.gz HMWMPDHSNNFGSQ-LLVKDONJSA-N 1 1 169.312 3.051 10 0 AGAEMO CCCCCC[N@H+]1CC[C@@H]1CC 308078843 572627692 /nfs/dbraw/zinc/62/76/92/572627692.db2.gz HMWMPDHSNNFGSQ-NSHDSACASA-N 1 1 169.312 3.051 10 0 AGAEMO CC[N@H+](C/C(Cl)=C\Cl)C(C)C 307856283 572648616 /nfs/dbraw/zinc/64/86/16/572648616.db2.gz DNHYLWYHOYXBAS-VMPITWQZSA-N 1 1 196.121 3.036 10 0 AGAEMO CC[N@@H+](C/C(Cl)=C\Cl)C(C)C 307856283 572648620 /nfs/dbraw/zinc/64/86/20/572648620.db2.gz DNHYLWYHOYXBAS-VMPITWQZSA-N 1 1 196.121 3.036 10 0 AGAEMO Cc1cccc2nc(C3CCC3)[nH]c12 70234934 572669096 /nfs/dbraw/zinc/66/90/96/572669096.db2.gz QKOMYDWWDMLKQK-UHFFFAOYSA-N 1 1 186.258 3.139 10 0 AGAEMO Cc1c[nH+]c(NC2CC2)c2ccccc12 74402833 572693789 /nfs/dbraw/zinc/69/37/89/572693789.db2.gz YOWXKXHBQMQVQW-UHFFFAOYSA-N 1 1 198.269 3.118 10 0 AGAEMO C/C(=C/Cl)Cn1cc[nH+]c1C(C)C 308113241 572755232 /nfs/dbraw/zinc/75/52/32/572755232.db2.gz RJDKRVRFGDFJPP-TWGQIWQCSA-N 1 1 198.697 3.149 10 0 AGAEMO Cc1cc2c(C)[nH+]c3ccccc3c2[nH]1 238523430 572757287 /nfs/dbraw/zinc/75/72/87/572757287.db2.gz UGKWLFQWWZSUIP-UHFFFAOYSA-N 1 1 196.253 3.333 10 0 AGAEMO CCCC[N@@H+](C)[C@H](C)[C@@H](C)CC 307943052 572808263 /nfs/dbraw/zinc/80/82/63/572808263.db2.gz DZZMQCWQMICCQU-WDEREUQCSA-N 1 1 171.328 3.153 10 0 AGAEMO CC[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 307943157 572808833 /nfs/dbraw/zinc/80/88/33/572808833.db2.gz FDMVLWHUJDQWFY-UWVGGRQHSA-N 1 1 171.328 3.151 10 0 AGAEMO CC[C@@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 307943159 572809061 /nfs/dbraw/zinc/80/90/61/572809061.db2.gz FDMVLWHUJDQWFY-ZJUUUORDSA-N 1 1 171.328 3.151 10 0 AGAEMO CCCC[N@@H+](C)[C@@H](C)[C@@H](C)CC 307943051 572809260 /nfs/dbraw/zinc/80/92/60/572809260.db2.gz DZZMQCWQMICCQU-QWRGUYRKSA-N 1 1 171.328 3.153 10 0 AGAEMO CCCC[N@@H+](C)[C@H](C)[C@H](C)CC 307943047 572809857 /nfs/dbraw/zinc/80/98/57/572809857.db2.gz DZZMQCWQMICCQU-GHMZBOCLSA-N 1 1 171.328 3.153 10 0 AGAEMO CC[C@@H](C)[N@@H+](C)[C@H](C)C(C)(C)C 307943156 572810793 /nfs/dbraw/zinc/81/07/93/572810793.db2.gz FDMVLWHUJDQWFY-NXEZZACHSA-N 1 1 171.328 3.151 10 0 AGAEMO CCCC[N@@H+](C)[C@@H](C)[C@H](C)CC 307943049 572810801 /nfs/dbraw/zinc/81/08/01/572810801.db2.gz DZZMQCWQMICCQU-MNOVXSKESA-N 1 1 171.328 3.153 10 0 AGAEMO CC[C@H](C(C)C)[N@@H+](C)CC(C)C 307946906 572815134 /nfs/dbraw/zinc/81/51/34/572815134.db2.gz KGTQOOMXOYJTPU-LLVKDONJSA-N 1 1 171.328 3.009 10 0 AGAEMO CC(C)C[C@H](C)[N@@H+](C)CC1CCC1 308141331 572825692 /nfs/dbraw/zinc/82/56/92/572825692.db2.gz ISYCZLGKIGSJMW-NSHDSACASA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)C[C@@H](C)[N@@H+](C)CC1CCC1 308141330 572827216 /nfs/dbraw/zinc/82/72/16/572827216.db2.gz ISYCZLGKIGSJMW-LLVKDONJSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)C(C)C 307952439 572832085 /nfs/dbraw/zinc/83/20/85/572832085.db2.gz OYUFRYJKFACSLA-MNOVXSKESA-N 1 1 171.328 3.151 10 0 AGAEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)C(C)C 307952441 572832100 /nfs/dbraw/zinc/83/21/00/572832100.db2.gz OYUFRYJKFACSLA-QWRGUYRKSA-N 1 1 171.328 3.151 10 0 AGAEMO CC[C@@H](C)[N@@H+](CC)[C@H](C)C(C)C 307952438 572832492 /nfs/dbraw/zinc/83/24/92/572832492.db2.gz OYUFRYJKFACSLA-GHMZBOCLSA-N 1 1 171.328 3.151 10 0 AGAEMO CCC(CC)[N@H+](CC)[C@H](C)CC 307956264 572836586 /nfs/dbraw/zinc/83/65/86/572836586.db2.gz RMLKXNLHKSJXKD-SNVBAGLBSA-N 1 1 171.328 3.295 10 0 AGAEMO CC(C)(C)CCC[N@H+]1CCC1(C)C 308148393 572838515 /nfs/dbraw/zinc/83/85/15/572838515.db2.gz MVKUDJHLQKRVMA-UHFFFAOYSA-N 1 1 183.339 3.297 10 0 AGAEMO CCOC(=[NH2+])[C@H](CC)c1ccccc1 77254033 572840009 /nfs/dbraw/zinc/84/00/09/572840009.db2.gz APFSQGCJUYHBCB-LLVKDONJSA-N 1 1 191.274 3.194 10 0 AGAEMO CCOC(=[NH2+])[C@@H](CC)c1ccccc1 77254032 572841519 /nfs/dbraw/zinc/84/15/19/572841519.db2.gz APFSQGCJUYHBCB-NSHDSACASA-N 1 1 191.274 3.194 10 0 AGAEMO CC(C)CC[C@H](C)[N@H+]1CC[C@@H](C)C1 308152373 572845443 /nfs/dbraw/zinc/84/54/43/572845443.db2.gz PDKOEJQPYGMLBE-NEPJUHHUSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[C@H](C)[N@H+]1CC[C@H](C)C1 308152379 572847181 /nfs/dbraw/zinc/84/71/81/572847181.db2.gz PDKOEJQPYGMLBE-RYUDHWBXSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[C@@H](C)[N@H+]1CC[C@H](C)C1 308152375 572847989 /nfs/dbraw/zinc/84/79/89/572847989.db2.gz PDKOEJQPYGMLBE-NWDGAFQWSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[C@@H](C)[N@H+]1CC[C@@H](C)C1 308152381 572848029 /nfs/dbraw/zinc/84/80/29/572848029.db2.gz PDKOEJQPYGMLBE-VXGBXAGGSA-N 1 1 183.339 3.153 10 0 AGAEMO CCCC[N@@H+](C)[C@@H](CC)C(C)C 307959916 572850258 /nfs/dbraw/zinc/85/02/58/572850258.db2.gz VKMJPWHYJBVGDL-NSHDSACASA-N 1 1 171.328 3.153 10 0 AGAEMO CCCC[N@@H+](C)[C@H](CC)C(C)C 307959914 572850499 /nfs/dbraw/zinc/85/04/99/572850499.db2.gz VKMJPWHYJBVGDL-LLVKDONJSA-N 1 1 171.328 3.153 10 0 AGAEMO CC[C@@H](C)c1ccc(C(=[NH2+])OC)cc1 77276378 572878678 /nfs/dbraw/zinc/87/86/78/572878678.db2.gz OPWAGIFGVROPOA-SECBINFHSA-N 1 1 191.274 3.172 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](CC)C(C)C 307968844 572884467 /nfs/dbraw/zinc/88/44/67/572884467.db2.gz FLPXKWYYZGBQGE-LLVKDONJSA-N 1 1 171.328 3.153 10 0 AGAEMO CCC[C@H](C)C[N@@H+](CC)C(C)C 307968845 572885775 /nfs/dbraw/zinc/88/57/75/572885775.db2.gz FLPXKWYYZGBQGE-NSHDSACASA-N 1 1 171.328 3.153 10 0 AGAEMO CCCC[N@H+](C1CC1)[C@@H](C)CC 307968589 572885845 /nfs/dbraw/zinc/88/58/45/572885845.db2.gz FDKLINVGGVOQCB-JTQLQIEISA-N 1 1 169.312 3.049 10 0 AGAEMO CCC/C=C/CC[N@@H+](C)[C@@H](C)CC 308168248 572885994 /nfs/dbraw/zinc/88/59/94/572885994.db2.gz AKXMRAQIOMEUPM-BCPZQOPPSA-N 1 1 183.339 3.463 10 0 AGAEMO CCC/C=C/CC[N@@H+](C)[C@H](C)CC 308168251 572886119 /nfs/dbraw/zinc/88/61/19/572886119.db2.gz AKXMRAQIOMEUPM-IDVQTMNDSA-N 1 1 183.339 3.463 10 0 AGAEMO CCCC[N@H+](C1CC1)[C@H](C)CC 307968590 572886439 /nfs/dbraw/zinc/88/64/39/572886439.db2.gz FDKLINVGGVOQCB-SNVBAGLBSA-N 1 1 169.312 3.049 10 0 AGAEMO CCC/C=C\CC[N@@H+](C)[C@H](C)CC 308168253 572886803 /nfs/dbraw/zinc/88/68/03/572886803.db2.gz AKXMRAQIOMEUPM-JLVNDZCYSA-N 1 1 183.339 3.463 10 0 AGAEMO CCC/C=C\CC[N@@H+](C)[C@@H](C)CC 308168256 572887146 /nfs/dbraw/zinc/88/71/46/572887146.db2.gz AKXMRAQIOMEUPM-LAUAKBEESA-N 1 1 183.339 3.463 10 0 AGAEMO CCC[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 307972711 572890398 /nfs/dbraw/zinc/89/03/98/572890398.db2.gz IGDQNTHLWCPCAJ-GHMZBOCLSA-N 1 1 171.328 3.151 10 0 AGAEMO CCC[C@H](C)[N@@H+](C)[C@H](C)C(C)C 307972712 572892904 /nfs/dbraw/zinc/89/29/04/572892904.db2.gz IGDQNTHLWCPCAJ-WDEREUQCSA-N 1 1 171.328 3.151 10 0 AGAEMO CC(C)n1cc[nH+]c1C1CCCC1 75840830 572902642 /nfs/dbraw/zinc/90/26/42/572902642.db2.gz UTPOWNJJXACFMW-UHFFFAOYSA-N 1 1 178.279 3.122 10 0 AGAEMO CCC[C@@H](C)[N@@H+](CCC)CC1CC1 308173968 572902736 /nfs/dbraw/zinc/90/27/36/572902736.db2.gz CMSMDUUFLLIHLI-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@H+]1CC[C@@H](C)C[C@H]1C 308173985 572903311 /nfs/dbraw/zinc/90/33/11/572903311.db2.gz CMVKALLZDRCBAX-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO Cc1[nH+]c(C2CCCCC2)n(C)c1C 75841358 572903497 /nfs/dbraw/zinc/90/34/97/572903497.db2.gz BAVFOWPJDPCMCI-UHFFFAOYSA-N 1 1 192.306 3.085 10 0 AGAEMO CC[N@@H+](C)[C@H](C)C[C@H](C)CC(C)C 308209959 572941607 /nfs/dbraw/zinc/94/16/07/572941607.db2.gz FYNICINKJBSJOG-VXGBXAGGSA-N 1 1 185.355 3.399 10 0 AGAEMO C/C=C/C[N@H+](CCCCC)C(C)C 308209947 572941634 /nfs/dbraw/zinc/94/16/34/572941634.db2.gz FXTFZYDBOIKNFV-SOFGYWHQSA-N 1 1 183.339 3.463 10 0 AGAEMO CC[N@@H+](C)[C@@H](C)C[C@H](C)CC(C)C 308209956 572942542 /nfs/dbraw/zinc/94/25/42/572942542.db2.gz FYNICINKJBSJOG-NEPJUHHUSA-N 1 1 185.355 3.399 10 0 AGAEMO C/C=C\C[N@H+](CCCCC)C(C)C 308209948 572943174 /nfs/dbraw/zinc/94/31/74/572943174.db2.gz FXTFZYDBOIKNFV-VURMDHGXSA-N 1 1 183.339 3.463 10 0 AGAEMO CCCC[C@H]1CCc2[nH+]c(C)[nH]c2C1 76089176 572944411 /nfs/dbraw/zinc/94/44/11/572944411.db2.gz HOVQAKWLNOLDNI-JTQLQIEISA-N 1 1 192.306 3.013 10 0 AGAEMO CCC[N@@H+](CC)CCc1ccsc1 308212561 572944563 /nfs/dbraw/zinc/94/45/63/572944563.db2.gz HFGNMJMGZGXINY-UHFFFAOYSA-N 1 1 197.347 3.023 10 0 AGAEMO CCC[C@H](C)[N@@H+](CC)CCC1CC1 308212506 572944634 /nfs/dbraw/zinc/94/46/34/572944634.db2.gz HCLKTZSTLPWVCD-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@@H](C)[N@@H+](CC)CCC1CC1 308212504 572945306 /nfs/dbraw/zinc/94/53/06/572945306.db2.gz HCLKTZSTLPWVCD-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO Cc1ccc(C)c2[nH+]c(C(C)C)[nH]c12 76211230 572962724 /nfs/dbraw/zinc/96/27/24/572962724.db2.gz OTHDIUXXWPINQA-UHFFFAOYSA-N 1 1 188.274 3.303 10 0 AGAEMO CCCc1[nH]c2c(C)ccc(C)c2[nH+]1 59099668 572964115 /nfs/dbraw/zinc/96/41/15/572964115.db2.gz HNUWKEHBZUSPPV-UHFFFAOYSA-N 1 1 188.274 3.132 10 0 AGAEMO CC(C)CCC[N@H+]1CCC12CCC2 308216607 572992758 /nfs/dbraw/zinc/99/27/58/572992758.db2.gz ANSDGZUPEJNYBZ-UHFFFAOYSA-N 1 1 181.323 3.051 10 0 AGAEMO CCC[C@H](C)[N@@H+](CC1CC1)C1CC1 308216907 572992896 /nfs/dbraw/zinc/99/28/96/572992896.db2.gz JSVIZKWWUWXYSC-JTQLQIEISA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[C@@H](C)[N@@H+](CC1CC1)C1CC1 308216911 572993852 /nfs/dbraw/zinc/99/38/52/572993852.db2.gz JSVIZKWWUWXYSC-SNVBAGLBSA-N 1 1 181.323 3.049 10 0 AGAEMO CCCC[N@@H+](CCF)C1CCCC1 308216035 572994711 /nfs/dbraw/zinc/99/47/11/572994711.db2.gz JLXWHHUKPHPSAM-UHFFFAOYSA-N 1 1 187.302 3.001 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)[C@H]1CC1(C)C 308218447 572996856 /nfs/dbraw/zinc/99/68/56/572996856.db2.gz KEBPUOGMFKNUSP-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)[C@H]1CC1(C)C 308218444 572998243 /nfs/dbraw/zinc/99/82/43/572998243.db2.gz KEBPUOGMFKNUSP-MNOVXSKESA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)[C@@H]1CC1(C)C 308218450 573000882 /nfs/dbraw/zinc/00/08/82/573000882.db2.gz KEBPUOGMFKNUSP-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[N@H+]1CCC[C@H]1C(C)(C)CC 308213237 573002901 /nfs/dbraw/zinc/00/29/01/573002901.db2.gz HOZDRTISZMJQGK-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[N@H+]1CCC[C@@H]1C(C)(C)CC 308213235 573004601 /nfs/dbraw/zinc/00/46/01/573004601.db2.gz HOZDRTISZMJQGK-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CC(C)CCC[N@@H+](C)CC1CCC1 308222069 573009850 /nfs/dbraw/zinc/00/98/50/573009850.db2.gz COHJTRHEDZFLIZ-UHFFFAOYSA-N 1 1 183.339 3.155 10 0 AGAEMO CC(C)CCC[N@@H+](C)CC1(C)CC1 308221263 573010764 /nfs/dbraw/zinc/01/07/64/573010764.db2.gz CFACGXYZRMCBHR-UHFFFAOYSA-N 1 1 183.339 3.155 10 0 AGAEMO CCCC[C@@H]1CCC[C@H]1[N@@H+](C)CC 308222879 573012794 /nfs/dbraw/zinc/01/27/94/573012794.db2.gz LZUIIHGYEQCSDG-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCC[N@@H+](C)[C@H](C)CC(F)(F)F 308224882 573013843 /nfs/dbraw/zinc/01/38/43/573013843.db2.gz MOOCYDYSYCRCNL-MRVPVSSYSA-N 1 1 197.244 3.059 10 0 AGAEMO CCCC[C@H]1CCC[C@H]1[N@@H+](C)CC 308222877 573015759 /nfs/dbraw/zinc/01/57/59/573015759.db2.gz LZUIIHGYEQCSDG-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCC[N@@H+](C)[C@@H](C)CC(F)(F)F 308224885 573015934 /nfs/dbraw/zinc/01/59/34/573015934.db2.gz MOOCYDYSYCRCNL-QMMMGPOBSA-N 1 1 197.244 3.059 10 0 AGAEMO CCCC[C@H]1CCC[C@@H]1[N@@H+](C)CC 308222878 573015957 /nfs/dbraw/zinc/01/59/57/573015957.db2.gz LZUIIHGYEQCSDG-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCN(CCC)c1cccc(C)[nH+]1 308475790 573016023 /nfs/dbraw/zinc/01/60/23/573016023.db2.gz JJYYQQAMFKBCOS-UHFFFAOYSA-N 1 1 192.306 3.016 10 0 AGAEMO CC[C@@H]1CCC[C@@H]1[N@@H+](C)CC(C)C 308226691 573021234 /nfs/dbraw/zinc/02/12/34/573021234.db2.gz NDOXTJSHSBGBMM-NEPJUHHUSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[N@@H+](C)[C@H](C)CCCC(F)(F)F 308225422 573021553 /nfs/dbraw/zinc/02/15/53/573021553.db2.gz MSOIHDYJEVCNHM-MRVPVSSYSA-N 1 1 197.244 3.059 10 0 AGAEMO CCCC[N@@H+](C)[C@H]1CCC[C@H]1CC 308225479 573021659 /nfs/dbraw/zinc/02/16/59/573021659.db2.gz MUWZPQMVRYOHRN-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CC[N@@H+](C)[C@@H](C)CCCC(F)(F)F 308225423 573021891 /nfs/dbraw/zinc/02/18/91/573021891.db2.gz MSOIHDYJEVCNHM-QMMMGPOBSA-N 1 1 197.244 3.059 10 0 AGAEMO CCCC[N@@H+](C)[C@H]1CCC[C@@H]1CC 308225482 573021944 /nfs/dbraw/zinc/02/19/44/573021944.db2.gz MUWZPQMVRYOHRN-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[N@@H+](CC)[C@@H]1CC[C@@H](CC)C1 308226757 573021988 /nfs/dbraw/zinc/02/19/88/573021988.db2.gz NFTHYLOVXMDTMW-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCC[N@@H+](C)[C@@H](C)c1ccoc1 308483161 573022146 /nfs/dbraw/zinc/02/21/46/573022146.db2.gz OCPBTVABKDANHE-JTQLQIEISA-N 1 1 181.279 3.073 10 0 AGAEMO CC[C@H]1CCC[C@H]1[N@@H+](C)CC(C)C 308226693 573022479 /nfs/dbraw/zinc/02/24/79/573022479.db2.gz NDOXTJSHSBGBMM-NWDGAFQWSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[N@@H+](CC)[C@H]1CC[C@H](CC)C1 308226755 573022610 /nfs/dbraw/zinc/02/26/10/573022610.db2.gz NFTHYLOVXMDTMW-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO C/C=C\C[N@@H+]1CCC(CC)(CC)C1 308228599 573027676 /nfs/dbraw/zinc/02/76/76/573027676.db2.gz NWCAPQDPMQYYTJ-DAXSKMNVSA-N 1 1 181.323 3.075 10 0 AGAEMO CCCC[N@@H+](CCCF)[C@H](C)CC 308230243 573029415 /nfs/dbraw/zinc/02/94/15/573029415.db2.gz OJPUXGRJHJAXRZ-LLVKDONJSA-N 1 1 189.318 3.247 10 0 AGAEMO CCCCC[N@H+]1CCCCC[C@H]1C 308230271 573029582 /nfs/dbraw/zinc/02/95/82/573029582.db2.gz OKPLSSOWOXGXOQ-GFCCVEGCSA-N 1 1 183.339 3.441 10 0 AGAEMO CCCCC[N@H+]1CCCCC[C@@H]1C 308230272 573030558 /nfs/dbraw/zinc/03/05/58/573030558.db2.gz OKPLSSOWOXGXOQ-LBPRGKRZSA-N 1 1 183.339 3.441 10 0 AGAEMO CCC(CC)[N@@H+](C)[C@@H]1CCC[C@H]1C 308237450 573037190 /nfs/dbraw/zinc/03/71/90/573037190.db2.gz RHSYKNHYFCHCAX-ZYHUDNBSSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[N@@H+](C)[C@@H](C)CCc1ccsc1 308237061 573037224 /nfs/dbraw/zinc/03/72/24/573037224.db2.gz RDQQPXQMYJSDPJ-JTQLQIEISA-N 1 1 197.347 3.021 10 0 AGAEMO CC[N@@H+](C)[C@H](C)CCc1ccsc1 308237063 573038806 /nfs/dbraw/zinc/03/88/06/573038806.db2.gz RDQQPXQMYJSDPJ-SNVBAGLBSA-N 1 1 197.347 3.021 10 0 AGAEMO CCCCC[N@H+]1CCCC(C)(C)C1 308247683 573045318 /nfs/dbraw/zinc/04/53/18/573045318.db2.gz YAMDINAHKDYVFD-UHFFFAOYSA-N 1 1 183.339 3.299 10 0 AGAEMO CCC[C@H](C)[N@@H+](C)C1(C)CCCC1 308249891 573052640 /nfs/dbraw/zinc/05/26/40/573052640.db2.gz AXURYXVSXHJIGR-NSHDSACASA-N 1 1 183.339 3.440 10 0 AGAEMO CC[C@@H](F)C[N@@H+](CC)CC(C)(C)C 308249140 573054312 /nfs/dbraw/zinc/05/43/12/573054312.db2.gz APZHWPLKMNZIAH-SNVBAGLBSA-N 1 1 189.318 3.103 10 0 AGAEMO C/C=C\C[N@@H+]1CCC[C@H](CC)CC1 308243205 573060733 /nfs/dbraw/zinc/06/07/33/573060733.db2.gz SZGNINJBCAKQTF-FHMRSRPSSA-N 1 1 181.323 3.075 10 0 AGAEMO CCC(CC)[N@@H+](CC)C1CCCC1 308492476 573063762 /nfs/dbraw/zinc/06/37/62/573063762.db2.gz RTKVQENBLCMGDE-UHFFFAOYSA-N 1 1 183.339 3.440 10 0 AGAEMO CC[C@@H]1CC[C@H]([N@@H+](CC)C2CC2)C1 308494052 573065062 /nfs/dbraw/zinc/06/50/62/573065062.db2.gz SLQHDXZNQHRCHB-PWSUYJOCSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC(CC)(CC)C[N@@H+](C)C1CC1 308245696 573066112 /nfs/dbraw/zinc/06/61/12/573066112.db2.gz VOLKIRHEGAYGNQ-UHFFFAOYSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@H](C)[N@H+]1C[C@@H](C)C[C@@H]1CC 308246413 573066699 /nfs/dbraw/zinc/06/66/99/573066699.db2.gz WIJGWKACNUIWNP-SRVKXCTJSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC[N@@H+](CC)[C@H]1CCC[C@@H](C)C1 308245852 573067099 /nfs/dbraw/zinc/06/70/99/573067099.db2.gz VPASSMKPUNNDDD-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[N@@H+](CC)[C@@H]1CCC[C@@H](C)C1 308245855 573068678 /nfs/dbraw/zinc/06/86/78/573068678.db2.gz VPASSMKPUNNDDD-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[C@H](C)[N@H+]1C[C@@H](C)C[C@H]1CC 308246412 573068724 /nfs/dbraw/zinc/06/87/24/573068724.db2.gz WIJGWKACNUIWNP-SDDRHHMPSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC[N@@H+](CC)[C@H]1CCC[C@H](C)C1 308245854 573068828 /nfs/dbraw/zinc/06/88/28/573068828.db2.gz VPASSMKPUNNDDD-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[N@@H+](CC)[C@H](C)c1ccco1 308244948 573069426 /nfs/dbraw/zinc/06/94/26/573069426.db2.gz UXDWNNQATAJVJK-SNVBAGLBSA-N 1 1 181.279 3.073 10 0 AGAEMO CCC[C@H](C)[N@H+]1C[C@H](C)C[C@H]1CC 308246411 573070014 /nfs/dbraw/zinc/07/00/14/573070014.db2.gz WIJGWKACNUIWNP-GRYCIOLGSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC[C@H](C)[N@H+]1C[C@H](C)C[C@@H]1CC 308246414 573070028 /nfs/dbraw/zinc/07/00/28/573070028.db2.gz WIJGWKACNUIWNP-WOPDTQHZSA-N 1 1 183.339 3.295 10 0 AGAEMO CCC[N@@H+](CC)[C@@H]1CCC[C@H](C)C1 308245853 573070258 /nfs/dbraw/zinc/07/02/58/573070258.db2.gz VPASSMKPUNNDDD-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[N@@H+](CC)[C@@H](C)c1ccco1 308244947 573070427 /nfs/dbraw/zinc/07/04/27/573070427.db2.gz UXDWNNQATAJVJK-JTQLQIEISA-N 1 1 181.279 3.073 10 0 AGAEMO CCC/C=C/CC[N@@H+](CC)CCC 308491509 573076579 /nfs/dbraw/zinc/07/65/79/573076579.db2.gz RMRJIURLLIPCQS-CMDGGOBGSA-N 1 1 183.339 3.465 10 0 AGAEMO CC[C@@H](C)[N@H+]1CCC[C@@H]1CC(C)C 308251075 573077255 /nfs/dbraw/zinc/07/72/55/573077255.db2.gz BDMPMCCQEONTRC-VXGBXAGGSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@@H](C)[N@H+]1CCC[C@H]1CC(C)C 308251071 573078131 /nfs/dbraw/zinc/07/81/31/573078131.db2.gz BDMPMCCQEONTRC-NEPJUHHUSA-N 1 1 183.339 3.295 10 0 AGAEMO CC(C)CCC[N@@H+](C)[C@@H]1CC1(C)C 308252774 573083454 /nfs/dbraw/zinc/08/34/54/573083454.db2.gz IPVMQGYOVYIXRP-LLVKDONJSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC/C=C\CC[N@@H+](CC)CCC 308491510 573081799 /nfs/dbraw/zinc/08/17/99/573081799.db2.gz RMRJIURLLIPCQS-HJWRWDBZSA-N 1 1 183.339 3.465 10 0 AGAEMO CC(C)CCC[N@@H+](C)[C@H]1CC1(C)C 308252775 573087158 /nfs/dbraw/zinc/08/71/58/573087158.db2.gz IPVMQGYOVYIXRP-NSHDSACASA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[N@@H+](C)[C@H](C)C1CCC1 308258490 573089530 /nfs/dbraw/zinc/08/95/30/573089530.db2.gz MHTLWUIMHVUNHS-LLVKDONJSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[N@@H+](C)[C@H]1CCC[C@H]1C 308263450 573107101 /nfs/dbraw/zinc/10/71/01/573107101.db2.gz OKWALIVEMGTTLJ-NEPJUHHUSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C 308263451 573108795 /nfs/dbraw/zinc/10/87/95/573108795.db2.gz OKWALIVEMGTTLJ-NWDGAFQWSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[N@@H+](C)[C@H]1CCC[C@@H]1C 308263452 573109268 /nfs/dbraw/zinc/10/92/68/573109268.db2.gz OKWALIVEMGTTLJ-RYUDHWBXSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[N@@H+](C)[C@@H]1CCC[C@H]1C 308263453 573109832 /nfs/dbraw/zinc/10/98/32/573109832.db2.gz OKWALIVEMGTTLJ-VXGBXAGGSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[Si](C)(C)[N@@H+]1C=CCCCC1 197992584 573115628 /nfs/dbraw/zinc/11/56/28/573115628.db2.gz LOGZXYANKDVXRM-UHFFFAOYSA-N 1 1 183.371 3.211 10 0 AGAEMO CCCCCNc1c(C)cc[nH+]c1C 308502340 573133984 /nfs/dbraw/zinc/13/39/84/573133984.db2.gz XDKQBSWDLSGFIK-UHFFFAOYSA-N 1 1 192.306 3.301 10 0 AGAEMO CC(C)CC[N@@H+](C)[C@H]1CC[C@H](C)C1 308281728 573141176 /nfs/dbraw/zinc/14/11/76/573141176.db2.gz XEOAAAPMYYDAFP-RYUDHWBXSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[N@@H+](C)[C@@H]1CC[C@H](C)C1 308281726 573144411 /nfs/dbraw/zinc/14/44/11/573144411.db2.gz XEOAAAPMYYDAFP-NWDGAFQWSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 308281729 573143702 /nfs/dbraw/zinc/14/37/02/573143702.db2.gz XEOAAAPMYYDAFP-VXGBXAGGSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H]1CCCC[C@H]1n1cc[nH+]c1C 82659158 573143960 /nfs/dbraw/zinc/14/39/60/573143960.db2.gz GJASFVIVRGNNIS-NWDGAFQWSA-N 1 1 192.306 3.333 10 0 AGAEMO CC[N@H+](C1CC1)[C@@H](C)C1CCCC1 308502929 573144820 /nfs/dbraw/zinc/14/48/20/573144820.db2.gz XSQDGDCWWYYSSO-JTQLQIEISA-N 1 1 181.323 3.049 10 0 AGAEMO CC[N@H+](C1CC1)[C@H](C)C1CCCC1 308502934 573145342 /nfs/dbraw/zinc/14/53/42/573145342.db2.gz XSQDGDCWWYYSSO-SNVBAGLBSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@@H]1CCCC[C@H]1n1cc[nH+]c1C 82659152 573145604 /nfs/dbraw/zinc/14/56/04/573145604.db2.gz GJASFVIVRGNNIS-VXGBXAGGSA-N 1 1 192.306 3.333 10 0 AGAEMO CC[C@H]1CCCC[C@@H]1n1cc[nH+]c1C 82659147 573145770 /nfs/dbraw/zinc/14/57/70/573145770.db2.gz GJASFVIVRGNNIS-RYUDHWBXSA-N 1 1 192.306 3.333 10 0 AGAEMO CSC(=[NH2+])CCc1ccc(F)cc1 258551226 573147336 /nfs/dbraw/zinc/14/73/36/573147336.db2.gz FFKMBDSUOSTTNB-UHFFFAOYSA-N 1 1 197.278 3.099 10 0 AGAEMO CCCCCC[N@H+]1[C@@H](C)CC1(C)C 308287408 573147638 /nfs/dbraw/zinc/14/76/38/573147638.db2.gz CMWWDZOGURMOTQ-NSHDSACASA-N 1 1 183.339 3.440 10 0 AGAEMO CCC(C)(C)C[N@@H+](C)[C@@H]1CC1(C)C 308287464 573149000 /nfs/dbraw/zinc/14/90/00/573149000.db2.gz FBIWZMITAGYOQB-SNVBAGLBSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[N@@H+](CCF)C1CCCCC1 308287747 573149515 /nfs/dbraw/zinc/14/95/15/573149515.db2.gz CRRXGTNFYXOVJN-UHFFFAOYSA-N 1 1 187.302 3.001 10 0 AGAEMO CC[C@H](C)[N@@H+](CCC(C)C)C1CC1 308288738 573150001 /nfs/dbraw/zinc/15/00/01/573150001.db2.gz FSFONNYJIVFRIF-NSHDSACASA-N 1 1 183.339 3.295 10 0 AGAEMO CC[N@H+](C1CC1)[C@H](C)CCC(C)C 308504099 573150090 /nfs/dbraw/zinc/15/00/90/573150090.db2.gz YJANRSXWLXJYLL-LLVKDONJSA-N 1 1 183.339 3.295 10 0 AGAEMO CCCCCC[N@H+]1[C@H](C)CC1(C)C 308287407 573150242 /nfs/dbraw/zinc/15/02/42/573150242.db2.gz CMWWDZOGURMOTQ-LLVKDONJSA-N 1 1 183.339 3.440 10 0 AGAEMO CCC(C)(C)C[N@@H+](C)[C@H]1CC1(C)C 308287463 573150728 /nfs/dbraw/zinc/15/07/28/573150728.db2.gz FBIWZMITAGYOQB-JTQLQIEISA-N 1 1 183.339 3.153 10 0 AGAEMO CC[N@H+](C1CC1)[C@@H](C)CCC(C)C 308504100 573150806 /nfs/dbraw/zinc/15/08/06/573150806.db2.gz YJANRSXWLXJYLL-NSHDSACASA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@@H](C)[N@@H+](CCC(C)C)C1CC1 308288737 573151528 /nfs/dbraw/zinc/15/15/28/573151528.db2.gz FSFONNYJIVFRIF-LLVKDONJSA-N 1 1 183.339 3.295 10 0 AGAEMO C[C@@H](CC1CCCC1)[N@@H+](C)C1CC1 308283490 573157713 /nfs/dbraw/zinc/15/77/13/573157713.db2.gz XWFAJNDCBGYBFK-JTQLQIEISA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@H](CC1CCCC1)[N@@H+](C)C1CC1 308283491 573157870 /nfs/dbraw/zinc/15/78/70/573157870.db2.gz XWFAJNDCBGYBFK-SNVBAGLBSA-N 1 1 181.323 3.049 10 0 AGAEMO C[C@H](F)CC[N@@H+](C)[C@@H](C)C(C)(C)C 308285477 573160460 /nfs/dbraw/zinc/16/04/60/573160460.db2.gz YSTKTHFLFFOFJP-UWVGGRQHSA-N 1 1 189.318 3.101 10 0 AGAEMO CCC[C@H]1CCCC[N@H+]1[C@@H](C)CC 308285556 573160481 /nfs/dbraw/zinc/16/04/81/573160481.db2.gz ASRFIYVBJGKZPW-RYUDHWBXSA-N 1 1 183.339 3.440 10 0 AGAEMO C[C@H](F)CC[N@@H+](C)[C@H](C)C(C)(C)C 308285478 573161987 /nfs/dbraw/zinc/16/19/87/573161987.db2.gz YSTKTHFLFFOFJP-VHSXEESVSA-N 1 1 189.318 3.101 10 0 AGAEMO CCC1=C(C)C=[NH+]c2ccccc2N1 238296748 573162610 /nfs/dbraw/zinc/16/26/10/573162610.db2.gz ZUYYZBJWDBOQFZ-UHFFFAOYSA-N 1 1 186.258 3.498 10 0 AGAEMO CCC[C@@H]1CCCC[N@H+]1[C@H](C)CC 308285559 573163560 /nfs/dbraw/zinc/16/35/60/573163560.db2.gz ASRFIYVBJGKZPW-VXGBXAGGSA-N 1 1 183.339 3.440 10 0 AGAEMO C[C@H]([N@H+](C)CC[C@@H](C)F)C(C)(C)C 308285479 573163763 /nfs/dbraw/zinc/16/37/63/573163763.db2.gz YSTKTHFLFFOFJP-ZJUUUORDSA-N 1 1 189.318 3.101 10 0 AGAEMO CC[C@H](C)C[N@H+]1CC[C@H](CC)[C@@H]1C 308290111 573164933 /nfs/dbraw/zinc/16/49/33/573164933.db2.gz GOSHQDPAVDHQMT-SRVKXCTJSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 308285969 573165592 /nfs/dbraw/zinc/16/55/92/573165592.db2.gz DLKRNNAGLZKANY-QJPTWQEYSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1CC[C@H](CC)[C@H]1C 308290112 573165650 /nfs/dbraw/zinc/16/56/50/573165650.db2.gz GOSHQDPAVDHQMT-TUAOUCFPSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CC[C@H](C)C1 308285971 573167235 /nfs/dbraw/zinc/16/72/35/573167235.db2.gz DLKRNNAGLZKANY-SRVKXCTJSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1CC[C@@H](CC)[C@@H]1C 308290110 573167350 /nfs/dbraw/zinc/16/73/50/573167350.db2.gz GOSHQDPAVDHQMT-SDDRHHMPSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1CC[C@@H](CC)[C@H]1C 308290109 573168502 /nfs/dbraw/zinc/16/85/02/573168502.db2.gz GOSHQDPAVDHQMT-QJPTWQEYSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@H](C)C1 308285970 573169141 /nfs/dbraw/zinc/16/91/41/573169141.db2.gz DLKRNNAGLZKANY-SDDRHHMPSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 308285973 573169219 /nfs/dbraw/zinc/16/92/19/573169219.db2.gz DLKRNNAGLZKANY-TUAOUCFPSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)[N@@H+](CC(C)(C)C)C1CC1 308291029 573174052 /nfs/dbraw/zinc/17/40/52/573174052.db2.gz HCQZNOYOILYREH-JTQLQIEISA-N 1 1 183.339 3.295 10 0 AGAEMO CC(C)Nc1[nH+]ccc2ccccc12 123770450 573174417 /nfs/dbraw/zinc/17/44/17/573174417.db2.gz AUSVLMAYFBSOMX-UHFFFAOYSA-N 1 1 186.258 3.055 10 0 AGAEMO CC[C@H](C)[C@H](C)[N@@H+](C)[C@H](C)C1CC1 308292334 573175524 /nfs/dbraw/zinc/17/55/24/573175524.db2.gz HVMKEOKNWCUUPH-GARJFASQSA-N 1 1 183.339 3.151 10 0 AGAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)[C@H](C)C1CC1 308292335 573175240 /nfs/dbraw/zinc/17/52/40/573175240.db2.gz HVMKEOKNWCUUPH-HBNTYKKESA-N 1 1 183.339 3.151 10 0 AGAEMO CC[C@@H](C)[N@@H+](C)CCc1ccsc1 308293744 573176795 /nfs/dbraw/zinc/17/67/95/573176795.db2.gz IXCNHYBMGLOUIC-SNVBAGLBSA-N 1 1 197.347 3.021 10 0 AGAEMO CC[C@H](C)[N@@H+](C)CCc1ccsc1 308293743 573177488 /nfs/dbraw/zinc/17/74/88/573177488.db2.gz IXCNHYBMGLOUIC-JTQLQIEISA-N 1 1 197.347 3.021 10 0 AGAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 308292331 573178647 /nfs/dbraw/zinc/17/86/47/573178647.db2.gz HVMKEOKNWCUUPH-AXFHLTTASA-N 1 1 183.339 3.151 10 0 AGAEMO CC[C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 308292333 573179402 /nfs/dbraw/zinc/17/94/02/573179402.db2.gz HVMKEOKNWCUUPH-DCAQKATOSA-N 1 1 183.339 3.151 10 0 AGAEMO C/C=C\C[N@@H+](C)[C@@H]1CCC(C)(C)C1 308294327 573180687 /nfs/dbraw/zinc/18/06/87/573180687.db2.gz JGIDTPAOSPVMTE-ISALQUGTSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[C@@H](C)[N@H+]1CC[C@H](CC(C)C)C1 308301533 573193703 /nfs/dbraw/zinc/19/37/03/573193703.db2.gz MFIQFEPXTNYQKI-VXGBXAGGSA-N 1 1 183.339 3.153 10 0 AGAEMO C/C=C/C[N@@H+](C)CC1CCCCC1 308301156 573194897 /nfs/dbraw/zinc/19/48/97/573194897.db2.gz MACPZWMIUIKBRS-ONEGZZNKSA-N 1 1 181.323 3.075 10 0 AGAEMO CC[C@H](C)C[N@@H+](CC)C[C@@H](F)CC 308304932 573197175 /nfs/dbraw/zinc/19/71/75/573197175.db2.gz NXOGLWFJAXUQSV-QWRGUYRKSA-N 1 1 189.318 3.103 10 0 AGAEMO CC[C@H](F)C[N@H+](CC)C[C@H](C)CC 308304931 573197237 /nfs/dbraw/zinc/19/72/37/573197237.db2.gz NXOGLWFJAXUQSV-MNOVXSKESA-N 1 1 189.318 3.103 10 0 AGAEMO C/C=C\C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 308304980 573197593 /nfs/dbraw/zinc/19/75/93/573197593.db2.gz NZTALMFJIGZRMZ-XLMCQVRKSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[C@H](C(C)C)[N@@H+](C)CC1CCC1 308305361 573198002 /nfs/dbraw/zinc/19/80/02/573198002.db2.gz OCZOHGHQQCCKCD-GFCCVEGCSA-N 1 1 183.339 3.153 10 0 AGAEMO C/C=C\C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 308304979 573198203 /nfs/dbraw/zinc/19/82/03/573198203.db2.gz NZTALMFJIGZRMZ-KBIXYVOKSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[C@@H](C(C)C)[N@@H+](C)CC1CCC1 308305362 573198359 /nfs/dbraw/zinc/19/83/59/573198359.db2.gz OCZOHGHQQCCKCD-LBPRGKRZSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)[N@@H+](C)[C@H](C)c1ccco1 308316783 573214810 /nfs/dbraw/zinc/21/48/10/573214810.db2.gz VZZLPAOBMFVDMG-VHSXEESVSA-N 1 1 181.279 3.071 10 0 AGAEMO CC[C@@H](C)[N@@H+](C)[C@H](C)c1ccco1 308316781 573216626 /nfs/dbraw/zinc/21/66/26/573216626.db2.gz VZZLPAOBMFVDMG-NXEZZACHSA-N 1 1 181.279 3.071 10 0 AGAEMO Cc1[nH+]ccn1C1C[C@@H](C)C[C@H](C)C1 82833887 573217970 /nfs/dbraw/zinc/21/79/70/573217970.db2.gz ZUYJJLOTVATBEZ-UWVGGRQHSA-N 1 1 192.306 3.189 10 0 AGAEMO CCc1[nH]c2c(C)c(C)cc(C)c2[nH+]1 238308739 573218838 /nfs/dbraw/zinc/21/88/38/573218838.db2.gz SPXONEYQWPROGK-UHFFFAOYSA-N 1 1 188.274 3.051 10 0 AGAEMO CC[C@@H](C)[N@@H+](C)[C@@H](C)c1ccco1 308316784 573218836 /nfs/dbraw/zinc/21/88/36/573218836.db2.gz VZZLPAOBMFVDMG-ZJUUUORDSA-N 1 1 181.279 3.071 10 0 AGAEMO CC[C@H](C)[N@@H+](C)[C@H]1CC[C@@H](CC)C1 308319334 573222073 /nfs/dbraw/zinc/22/20/73/573222073.db2.gz XLGDXDWDRMZBCT-TUAOUCFPSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@@H]1CC[C@@H]([N@H+](C)[C@H](C)CC)C1 308319332 573224555 /nfs/dbraw/zinc/22/45/55/573224555.db2.gz XLGDXDWDRMZBCT-IJLUTSLNSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)[C@H](C)CC1CC1 308310959 573227215 /nfs/dbraw/zinc/22/72/15/573227215.db2.gz RHJDSGGJOOOPPH-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC(C)(C)C[N@H+]1CC[C@@H]1C(C)C 308312048 573227267 /nfs/dbraw/zinc/22/72/67/573227267.db2.gz SBDGYHXYMKFROQ-LLVKDONJSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)[N@@H+](CC=C(C)C)C1CC1 308312020 573227419 /nfs/dbraw/zinc/22/74/19/573227419.db2.gz RYPZCMXDBXZRPH-NSHDSACASA-N 1 1 181.323 3.216 10 0 AGAEMO CC[C@@H](C)[N@@H+](C(C)C)C1CCCC1 308313148 573231197 /nfs/dbraw/zinc/23/11/97/573231197.db2.gz STRCJUNQXGLHHM-LLVKDONJSA-N 1 1 183.339 3.438 10 0 AGAEMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](C)[C@H](C)C1 82844871 573232072 /nfs/dbraw/zinc/23/20/72/573232072.db2.gz FARGCGTULCWSQY-CKYFFXLPSA-N 1 1 192.306 3.189 10 0 AGAEMO CC[C@H](C)[N@H+](C1CCCC1)C1CC1 308313183 573233664 /nfs/dbraw/zinc/23/36/64/573233664.db2.gz SUWIWGTXMHKWJN-JTQLQIEISA-N 1 1 181.323 3.192 10 0 AGAEMO CCC1CCC(n2cc[nH+]c2C)CC1 82856497 573240049 /nfs/dbraw/zinc/24/00/49/573240049.db2.gz MZKFGTBHBMLLDT-UHFFFAOYSA-N 1 1 192.306 3.333 10 0 AGAEMO C/C=C\C[N@H+](C1CC1)[C@H](C)C(C)C 308320330 573241732 /nfs/dbraw/zinc/24/17/32/573241732.db2.gz YBQNKMLXOIYXMK-ISALQUGTSA-N 1 1 181.323 3.071 10 0 AGAEMO CCCC(CCC)c1[nH]cc[nH+]1 77952439 573246120 /nfs/dbraw/zinc/24/61/20/573246120.db2.gz JJKMBDMBSITAQQ-UHFFFAOYSA-N 1 1 166.268 3.094 10 0 AGAEMO C/C=C\C[N@H+]1CCC[C@H]1C(C)(C)C 308322045 573248022 /nfs/dbraw/zinc/24/80/22/573248022.db2.gz ZIRHBAZQJLQMPC-GZTOBOFZSA-N 1 1 181.323 3.073 10 0 AGAEMO CC(C)CCC[N@H+]1[C@H](C)CC1(C)C 308322759 573248550 /nfs/dbraw/zinc/24/85/50/573248550.db2.gz CMVZRQNNTACXLL-LLVKDONJSA-N 1 1 183.339 3.295 10 0 AGAEMO CCCC[C@H](C)[N@@H+](C)CC[C@@H](C)F 308321977 573250041 /nfs/dbraw/zinc/25/00/41/573250041.db2.gz ZFOOQOSHEUAWTI-MNOVXSKESA-N 1 1 189.318 3.245 10 0 AGAEMO 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CCC[N@@H+](C)C[C@H](C)C(C)(C)C 670262058 486738200 /nfs/dbraw/zinc/73/82/00/486738200.db2.gz JLMWZZNTIZCWAO-JTQLQIEISA-N 1 1 171.328 3.010 10 0 AGAEMO C[C@H]1[C@H](C)CC[N@@H+]1C[C@H](C)C(C)(C)C 670265274 486738517 /nfs/dbraw/zinc/73/85/17/486738517.db2.gz CREMCFDWGFZQKS-WOPDTQHZSA-N 1 1 197.366 3.399 10 0 AGAEMO CCC[N@@H+](C)C[C@@H](C)C(C)(C)C 670262059 486738697 /nfs/dbraw/zinc/73/86/97/486738697.db2.gz JLMWZZNTIZCWAO-SNVBAGLBSA-N 1 1 171.328 3.010 10 0 AGAEMO C[C@@H]1CC[N@H+](C[C@H](C)C(C)(C)C)[C@@H]1C 670265271 486738740 /nfs/dbraw/zinc/73/87/40/486738740.db2.gz CREMCFDWGFZQKS-GRYCIOLGSA-N 1 1 197.366 3.399 10 0 AGAEMO C[C@H]1[C@H](C)CC[N@@H+]1C[C@@H](C)C(C)(C)C 670265273 486738844 /nfs/dbraw/zinc/73/88/44/486738844.db2.gz CREMCFDWGFZQKS-UTUOFQBUSA-N 1 1 197.366 3.399 10 0 AGAEMO CC1=C[C@@H](C)C[N@@H+](CCCCCF)C1 671243949 486744928 /nfs/dbraw/zinc/74/49/28/486744928.db2.gz QDFPPQIKOWTZPA-LLVKDONJSA-N 1 1 199.313 3.024 10 0 AGAEMO FCCCCC[N@H+]1CCC[C@H]1C1CC1 671240663 486744983 /nfs/dbraw/zinc/74/49/83/486744983.db2.gz HPPMPCSHCQYNJK-LBPRGKRZSA-N 1 1 199.313 3.001 10 0 AGAEMO FCCCCC[N@H+]1CCC[C@@H]1C1CC1 671240662 486745008 /nfs/dbraw/zinc/74/50/08/486745008.db2.gz HPPMPCSHCQYNJK-GFCCVEGCSA-N 1 1 199.313 3.001 10 0 AGAEMO CC1=C(C)C[N@@H+](CCCCCF)CC1 671243899 486745080 /nfs/dbraw/zinc/74/50/80/486745080.db2.gz DVXIYINLHMHKKU-UHFFFAOYSA-N 1 1 199.313 3.168 10 0 AGAEMO FCCCCC[N@H+]1CCCC2(CC2)C1 671243049 486745189 /nfs/dbraw/zinc/74/51/89/486745189.db2.gz AUOZTVPZBIGECR-UHFFFAOYSA-N 1 1 199.313 3.002 10 0 AGAEMO FCCCCC[N@H+]1CCC2(CCC2)C1 671241791 486745247 /nfs/dbraw/zinc/74/52/47/486745247.db2.gz BGBDPHIFIYJFCK-UHFFFAOYSA-N 1 1 199.313 3.002 10 0 AGAEMO CCC[N@@H+](C)C(C)(C)c1ccccc1 671245681 486745466 /nfs/dbraw/zinc/74/54/66/486745466.db2.gz JWKWLVBSFDLSQQ-UHFFFAOYSA-N 1 1 191.318 3.264 10 0 AGAEMO CC1=C[C@H](C)C[N@@H+](CCCCCF)C1 671243950 486745658 /nfs/dbraw/zinc/74/56/58/486745658.db2.gz QDFPPQIKOWTZPA-NSHDSACASA-N 1 1 199.313 3.024 10 0 AGAEMO CC(C)C(C[N@@H+]1CC=CCC1)C(C)C 671307281 486747310 /nfs/dbraw/zinc/74/73/10/486747310.db2.gz HFKSZBHTAHOWSI-UHFFFAOYSA-N 1 1 195.350 3.177 10 0 AGAEMO CC(C)C(C[N@@H+](C)CC1CC1)C(C)C 671304778 486747600 /nfs/dbraw/zinc/74/76/00/486747600.db2.gz LWXKBYZKEPJJLW-UHFFFAOYSA-N 1 1 197.366 3.256 10 0 AGAEMO C[N@@H+](CCCCF)C[C@H]1CC=CCC1 671686633 486753227 /nfs/dbraw/zinc/75/32/27/486753227.db2.gz AUXBASACXWIVBI-LBPRGKRZSA-N 1 1 199.313 3.024 10 0 AGAEMO C[N@@H+](CCCCF)C[C@@H]1CC=CCC1 671686632 486753672 /nfs/dbraw/zinc/75/36/72/486753672.db2.gz AUXBASACXWIVBI-GFCCVEGCSA-N 1 1 199.313 3.024 10 0 AGAEMO Cc1ccc(C[N@H+](C)CCC(C)C)o1 673077570 486771483 /nfs/dbraw/zinc/77/14/83/486771483.db2.gz CHKQUKPKYBEJNE-UHFFFAOYSA-N 1 1 195.306 3.066 10 0 AGAEMO CC[C@@H](C)C[N@@H+](CC)[C@H]1C=CCCC1 674007024 486784545 /nfs/dbraw/zinc/78/45/45/486784545.db2.gz FNRFQJGOLUTERF-OLZOCXBDSA-N 1 1 195.350 3.463 10 0 AGAEMO CC[C@H](C)C[N@@H+](CC)[C@@H]1C=CCCC1 674007027 486785032 /nfs/dbraw/zinc/78/50/32/486785032.db2.gz FNRFQJGOLUTERF-QWHCGFSZSA-N 1 1 195.350 3.463 10 0 AGAEMO CC[C@@H](C)C[N@@H+](CC)[C@@H]1C=CCCC1 674007022 486785109 /nfs/dbraw/zinc/78/51/09/486785109.db2.gz FNRFQJGOLUTERF-CHWSQXEVSA-N 1 1 195.350 3.463 10 0 AGAEMO CC[C@H](C)C[N@@H+](CC)[C@H]1C=CCCC1 674007146 486785526 /nfs/dbraw/zinc/78/55/26/486785526.db2.gz FNRFQJGOLUTERF-STQMWFEESA-N 1 1 195.350 3.463 10 0 AGAEMO CCCCC[N@H+]1C[C@H]2CCCC[C@H]2C1 674252272 486791456 /nfs/dbraw/zinc/79/14/56/486791456.db2.gz MTZHAEZJBDCOHN-BETUJISGSA-N 1 1 195.350 3.299 10 0 AGAEMO C[C@@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C 674465030 486800292 /nfs/dbraw/zinc/80/02/92/486800292.db2.gz DIHRDRYQBUITIZ-VXGBXAGGSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1CC[N@@H+](CC2CCCCC2)[C@H]1C 674465029 486800367 /nfs/dbraw/zinc/80/03/67/486800367.db2.gz DIHRDRYQBUITIZ-RYUDHWBXSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C 674465028 486800416 /nfs/dbraw/zinc/80/04/16/486800416.db2.gz DIHRDRYQBUITIZ-NWDGAFQWSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1[C@H](C)CC[N@H+]1CCC1CCCC1 674464825 486800481 /nfs/dbraw/zinc/80/04/81/486800481.db2.gz BYSXLNFKJOPWNA-NEPJUHHUSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C 674464828 486800551 /nfs/dbraw/zinc/80/05/51/486800551.db2.gz BYSXLNFKJOPWNA-VXGBXAGGSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C 674464826 486800621 /nfs/dbraw/zinc/80/06/21/486800621.db2.gz BYSXLNFKJOPWNA-NWDGAFQWSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1[C@H](C)CC[N@H+]1CC1CCCCC1 674465027 486800718 /nfs/dbraw/zinc/80/07/18/486800718.db2.gz DIHRDRYQBUITIZ-NEPJUHHUSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1CC[N@@H+](CCC2CCCC2)[C@H]1C 674464827 486800798 /nfs/dbraw/zinc/80/07/98/486800798.db2.gz BYSXLNFKJOPWNA-RYUDHWBXSA-N 1 1 195.350 3.297 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C)o1 674860011 486813688 /nfs/dbraw/zinc/81/36/88/486813688.db2.gz XKZVMFPYELHBFS-JTQLQIEISA-N 1 1 195.306 3.066 10 0 AGAEMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C)o1 674860012 486813932 /nfs/dbraw/zinc/81/39/32/486813932.db2.gz XKZVMFPYELHBFS-SNVBAGLBSA-N 1 1 195.306 3.066 10 0 AGAEMO C[N@@H+](CCCC1CCCC1)CC1CC1 674861280 486815618 /nfs/dbraw/zinc/81/56/18/486815618.db2.gz SXFLXYJSOFAYKQ-UHFFFAOYSA-N 1 1 195.350 3.299 10 0 AGAEMO CC[C@H](C)C[N@H+]1CCCCC[C@@H]1C 674864794 486816378 /nfs/dbraw/zinc/81/63/78/486816378.db2.gz YTMHGPSGTGVIPJ-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@H](C)C[N@H+]1CCCCC[C@H]1C 674864793 486816783 /nfs/dbraw/zinc/81/67/83/486816783.db2.gz YTMHGPSGTGVIPJ-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@H](C)C[N@@H+](C(C)C)C1CCC1 674864612 486816856 /nfs/dbraw/zinc/81/68/56/486816856.db2.gz APQZJVNFYREMSY-NSHDSACASA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@@H](C)C[N@H+]1CCCCC[C@@H]1C 674864792 486816909 /nfs/dbraw/zinc/81/69/09/486816909.db2.gz YTMHGPSGTGVIPJ-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@@H](C)C[N@H+]1CCCCC[C@H]1C 674864795 486816915 /nfs/dbraw/zinc/81/69/15/486816915.db2.gz YTMHGPSGTGVIPJ-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@@H](C)C[N@@H+](C(C)C)C1CCC1 674864611 486816954 /nfs/dbraw/zinc/81/69/54/486816954.db2.gz APQZJVNFYREMSY-LLVKDONJSA-N 1 1 183.339 3.295 10 0 AGAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)C[C@H]1CC 674866194 486817361 /nfs/dbraw/zinc/81/73/61/486817361.db2.gz GJMCPZIQXJXQLU-SDDRHHMPSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1C[C@H](C)C[C@H]1CC 674866193 486817529 /nfs/dbraw/zinc/81/75/29/486817529.db2.gz GJMCPZIQXJXQLU-QJPTWQEYSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1C[C@H](C)CC[C@H]1C 674866213 486817683 /nfs/dbraw/zinc/81/76/83/486817683.db2.gz HRYCLAAANOUEHL-QJPTWQEYSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1C[C@H](C)C[C@@H]1CC 674866196 486817695 /nfs/dbraw/zinc/81/76/95/486817695.db2.gz GJMCPZIQXJXQLU-TUAOUCFPSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)CC[C@H]1C 674866214 486817837 /nfs/dbraw/zinc/81/78/37/486817837.db2.gz HRYCLAAANOUEHL-SDDRHHMPSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)CC[C@@H]1C 674866215 486817875 /nfs/dbraw/zinc/81/78/75/486817875.db2.gz HRYCLAAANOUEHL-SRVKXCTJSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)C[C@@H]1CC 674866195 486817971 /nfs/dbraw/zinc/81/79/71/486817971.db2.gz GJMCPZIQXJXQLU-SRVKXCTJSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H](C)C[N@H+]1C[C@H](C)CC[C@@H]1C 674866216 486818122 /nfs/dbraw/zinc/81/81/22/486818122.db2.gz HRYCLAAANOUEHL-TUAOUCFPSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 674867430 486818570 /nfs/dbraw/zinc/81/85/70/486818570.db2.gz AFHIWUKGRWYYRV-CHWSQXEVSA-N 1 1 193.334 3.073 10 0 AGAEMO CC(C)[C@H]1CC[N@H+]([C@H]2C=CCCC2)C1 674867433 486818597 /nfs/dbraw/zinc/81/85/97/486818597.db2.gz AFHIWUKGRWYYRV-STQMWFEESA-N 1 1 193.334 3.073 10 0 AGAEMO CC(C)[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C1 674867431 486818745 /nfs/dbraw/zinc/81/87/45/486818745.db2.gz AFHIWUKGRWYYRV-OLZOCXBDSA-N 1 1 193.334 3.073 10 0 AGAEMO CC(C)[C@H]1CC[N@@H+](CC2CCCC2)C1 674867996 486818994 /nfs/dbraw/zinc/81/89/94/486818994.db2.gz KYNNMORUHTYHRZ-ZDUSSCGKSA-N 1 1 195.350 3.155 10 0 AGAEMO CC(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 674867783 486819143 /nfs/dbraw/zinc/81/91/43/486819143.db2.gz IOCWVTFVOJWLHH-LBPRGKRZSA-N 1 1 197.366 3.401 10 0 AGAEMO CC(C)[C@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 674867432 486819313 /nfs/dbraw/zinc/81/93/13/486819313.db2.gz AFHIWUKGRWYYRV-QWHCGFSZSA-N 1 1 193.334 3.073 10 0 AGAEMO CC(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 674867781 486819439 /nfs/dbraw/zinc/81/94/39/486819439.db2.gz IOCWVTFVOJWLHH-GFCCVEGCSA-N 1 1 197.366 3.401 10 0 AGAEMO CC(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 674867995 486819455 /nfs/dbraw/zinc/81/94/55/486819455.db2.gz KYNNMORUHTYHRZ-CYBMUJFWSA-N 1 1 195.350 3.155 10 0 AGAEMO CC[C@H](C)C[N@H+]1CC[C@@H](C(C)C)C1 674868697 486820065 /nfs/dbraw/zinc/82/00/65/486820065.db2.gz WVUMGZKSOAOJGQ-NWDGAFQWSA-N 1 1 183.339 3.010 10 0 AGAEMO CC[C@H](C)C[N@H+]1CC[C@H](C(C)C)C1 674868698 486820483 /nfs/dbraw/zinc/82/04/83/486820483.db2.gz WVUMGZKSOAOJGQ-RYUDHWBXSA-N 1 1 183.339 3.010 10 0 AGAEMO CC[C@@H](C)C[N@H+]1CC[C@H](C(C)C)C1 674868696 486820543 /nfs/dbraw/zinc/82/05/43/486820543.db2.gz WVUMGZKSOAOJGQ-NEPJUHHUSA-N 1 1 183.339 3.010 10 0 AGAEMO CC[C@@H](C)C[N@H+]1CC[C@@H](C(C)C)C1 674868699 486820969 /nfs/dbraw/zinc/82/09/69/486820969.db2.gz WVUMGZKSOAOJGQ-VXGBXAGGSA-N 1 1 183.339 3.010 10 0 AGAEMO CC(C)[N@@H+](C)C/C=C/c1ccccc1 675499007 486842238 /nfs/dbraw/zinc/84/22/38/486842238.db2.gz YYOYSJKDSNTXIW-JXMROGBWSA-N 1 1 189.302 3.040 10 0 AGAEMO CC(C)[N@@H+](C)C/C=C\c1ccccc1 675499008 486842287 /nfs/dbraw/zinc/84/22/87/486842287.db2.gz YYOYSJKDSNTXIW-YFHOEESVSA-N 1 1 189.302 3.040 10 0 AGAEMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC1CC1 675639355 486845992 /nfs/dbraw/zinc/84/59/92/486845992.db2.gz HQQKROGZITXRPG-LBPRGKRZSA-N 1 1 195.350 3.297 10 0 AGAEMO CC(C)(C)C[C@H]1CCC[N@H+]1CC1CC1 675639354 486846031 /nfs/dbraw/zinc/84/60/31/486846031.db2.gz HQQKROGZITXRPG-GFCCVEGCSA-N 1 1 195.350 3.297 10 0 AGAEMO C1CCC2(CC1)CC[N@H+](CC1CC1)C2 675639180 486846179 /nfs/dbraw/zinc/84/61/79/486846179.db2.gz DQNXOLFBSOHDIY-UHFFFAOYSA-N 1 1 193.334 3.053 10 0 AGAEMO CC[C@@H]1CCCCC[N@H+]1CC1CC1 675640189 486846963 /nfs/dbraw/zinc/84/69/63/486846963.db2.gz RRJYTUOWSRXRTD-GFCCVEGCSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[C@H]1CCCCC[N@H+]1CC1CC1 675640191 486847124 /nfs/dbraw/zinc/84/71/24/486847124.db2.gz RRJYTUOWSRXRTD-LBPRGKRZSA-N 1 1 181.323 3.051 10 0 AGAEMO CC1CCC(C[N@@H+](C)CC2CC2)CC1 675640221 486847632 /nfs/dbraw/zinc/84/76/32/486847632.db2.gz SNFKGWCPDOXLDS-UHFFFAOYSA-N 1 1 195.350 3.155 10 0 AGAEMO C[C@@H](c1ccccc1)[N@@H+](C)CCCF 675884092 486850543 /nfs/dbraw/zinc/85/05/43/486850543.db2.gz OIIJCLINBIAQLV-NSHDSACASA-N 1 1 195.281 3.039 10 0 AGAEMO C[C@H](c1ccccc1)[N@@H+](C)CCCF 675884090 486850826 /nfs/dbraw/zinc/85/08/26/486850826.db2.gz OIIJCLINBIAQLV-LLVKDONJSA-N 1 1 195.281 3.039 10 0 AGAEMO FCCC[N@H+](C1CCCCC1)C1CC1 675884176 486851204 /nfs/dbraw/zinc/85/12/04/486851204.db2.gz HIEQDQVVPSNNBD-UHFFFAOYSA-N 1 1 199.313 3.143 10 0 AGAEMO FCCC[N@H+]1CCC2(CCCCC2)C1 675891991 486851933 /nfs/dbraw/zinc/85/19/33/486851933.db2.gz DMSWVNWHSCQSHE-UHFFFAOYSA-N 1 1 199.313 3.002 10 0 AGAEMO CC(C)=CC[N@H+]1CCC[C@@H](C2CC2)C1 677018438 486875411 /nfs/dbraw/zinc/87/54/11/486875411.db2.gz BVXWOJRMUJBXAI-CYBMUJFWSA-N 1 1 193.334 3.075 10 0 AGAEMO CC(C)=CC[N@H+]1CCC[C@H](C2CC2)C1 677018441 486875617 /nfs/dbraw/zinc/87/56/17/486875617.db2.gz BVXWOJRMUJBXAI-ZDUSSCGKSA-N 1 1 193.334 3.075 10 0 AGAEMO CC(C)C[N@@H+]1CC=C(C(C)(C)C)CC1 677560907 486888951 /nfs/dbraw/zinc/88/89/51/486888951.db2.gz BPBVUKDSOKATKQ-UHFFFAOYSA-N 1 1 195.350 3.321 10 0 AGAEMO CC(C)(C)C1=CC[N@@H+](CC2CC2)CC1 677560881 486889070 /nfs/dbraw/zinc/88/90/70/486889070.db2.gz AICHKFOSVPAWQS-UHFFFAOYSA-N 1 1 193.334 3.075 10 0 AGAEMO CCC[N@@H+]1CC=C(C(C)(C)C)CC1 677561067 486889546 /nfs/dbraw/zinc/88/95/46/486889546.db2.gz HPTBYJIMDFMDRA-UHFFFAOYSA-N 1 1 181.323 3.075 10 0 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486914797 /nfs/dbraw/zinc/91/47/97/486914797.db2.gz GNUPAIDEEFWFTD-UPJWGTAASA-N 1 1 193.334 3.073 10 0 AGAEMO C[C@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 678120647 486917365 /nfs/dbraw/zinc/91/73/65/486917365.db2.gz GLDOJMNWSIOYHO-STQMWFEESA-N 1 1 193.334 3.217 10 0 AGAEMO C[C@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 678120646 486917444 /nfs/dbraw/zinc/91/74/44/486917444.db2.gz GLDOJMNWSIOYHO-QWHCGFSZSA-N 1 1 193.334 3.217 10 0 AGAEMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 678120644 486917502 /nfs/dbraw/zinc/91/75/02/486917502.db2.gz GLDOJMNWSIOYHO-CHWSQXEVSA-N 1 1 193.334 3.217 10 0 AGAEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 678120645 486918153 /nfs/dbraw/zinc/91/81/53/486918153.db2.gz GLDOJMNWSIOYHO-OLZOCXBDSA-N 1 1 193.334 3.217 10 0 AGAEMO CC[C@H](C[N@@H+](C)CC)c1ccccc1 678133864 486920073 /nfs/dbraw/zinc/92/00/73/486920073.db2.gz MJXOXPCSCYEAKK-GFCCVEGCSA-N 1 1 191.318 3.132 10 0 AGAEMO CC[C@@H](C[N@@H+](C)CC)c1ccccc1 678133865 486920261 /nfs/dbraw/zinc/92/02/61/486920261.db2.gz MJXOXPCSCYEAKK-LBPRGKRZSA-N 1 1 191.318 3.132 10 0 AGAEMO CCC[N@@H+](C[C@H]1CC=CCC1)C1CC1 678138094 486920308 /nfs/dbraw/zinc/92/03/08/486920308.db2.gz DJQPURDEFMWNRD-LBPRGKRZSA-N 1 1 193.334 3.217 10 0 AGAEMO CCC[N@@H+](C[C@@H]1CC=CCC1)C1CC1 678138093 486920502 /nfs/dbraw/zinc/92/05/02/486920502.db2.gz DJQPURDEFMWNRD-GFCCVEGCSA-N 1 1 193.334 3.217 10 0 AGAEMO CC[N@@H+](C)Cc1ccccc1C1CC1 678133505 486920573 /nfs/dbraw/zinc/92/05/73/486920573.db2.gz CPGORBORZXXUTN-UHFFFAOYSA-N 1 1 189.302 3.016 10 0 AGAEMO CC[N@@H+](CC1CCCCCC1)C1CC1 678138273 486920619 /nfs/dbraw/zinc/92/06/19/486920619.db2.gz APEYHFHBEJBOJC-UHFFFAOYSA-N 1 1 195.350 3.441 10 0 AGAEMO CC[N@@H+](Cc1ccoc1)C1CCCC1 678140906 486921809 /nfs/dbraw/zinc/92/18/09/486921809.db2.gz VLLLIVIICAAZME-UHFFFAOYSA-N 1 1 193.290 3.044 10 0 AGAEMO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CC=CCC1 678172664 486924166 /nfs/dbraw/zinc/92/41/66/486924166.db2.gz HMUPKUIDUXBWIB-CHWSQXEVSA-N 1 1 195.350 3.321 10 0 AGAEMO CC[C@@H](C)C[N@@H+](C)C[C@H]1CC=CCC1 678172665 486924254 /nfs/dbraw/zinc/92/42/54/486924254.db2.gz HMUPKUIDUXBWIB-OLZOCXBDSA-N 1 1 195.350 3.321 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)C[C@@H]1CC=CCC1 678172666 486924261 /nfs/dbraw/zinc/92/42/61/486924261.db2.gz HMUPKUIDUXBWIB-QWHCGFSZSA-N 1 1 195.350 3.321 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)C[C@H]1CC=CCC1 678172667 486924423 /nfs/dbraw/zinc/92/44/23/486924423.db2.gz HMUPKUIDUXBWIB-STQMWFEESA-N 1 1 195.350 3.321 10 0 AGAEMO C[N@@H+](C[C@@H]1CC=CCC1)CC(C)(C)C 678195214 486925550 /nfs/dbraw/zinc/92/55/50/486925550.db2.gz BMBNTWXATVHWCU-GFCCVEGCSA-N 1 1 195.350 3.321 10 0 AGAEMO C[N@H+](CC1CCCCCC1)CC1CC1 678192490 486925569 /nfs/dbraw/zinc/92/55/69/486925569.db2.gz LEFOOIPVYJNSIJ-UHFFFAOYSA-N 1 1 195.350 3.299 10 0 AGAEMO C[N@@H+](C[C@H]1CC=CCC1)CC(C)(C)C 678195215 486926302 /nfs/dbraw/zinc/92/63/02/486926302.db2.gz BMBNTWXATVHWCU-LBPRGKRZSA-N 1 1 195.350 3.321 10 0 AGAEMO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(C)C 678217663 486926622 /nfs/dbraw/zinc/92/66/22/486926622.db2.gz DYCYBTXNDCENSP-NSHDSACASA-N 1 1 195.306 3.146 10 0 AGAEMO CCC(CC)C[N@H+]1CCCC1(C)C 678226052 486927156 /nfs/dbraw/zinc/92/71/56/486927156.db2.gz YGOLYICOLLFNGP-UHFFFAOYSA-N 1 1 183.339 3.297 10 0 AGAEMO CC1(C)CCC[N@H+]1C[C@@H]1CC=CCC1 678225633 486927558 /nfs/dbraw/zinc/92/75/58/486927558.db2.gz OIGAVJKEXKPPGH-GFCCVEGCSA-N 1 1 193.334 3.217 10 0 AGAEMO CC1(C)CCC[N@H+]1C[C@H]1CC=CCC1 678225634 486927589 /nfs/dbraw/zinc/92/75/89/486927589.db2.gz OIGAVJKEXKPPGH-LBPRGKRZSA-N 1 1 193.334 3.217 10 0 AGAEMO CC[N@@H+](Cc1ccoc1)[C@H](C)C(C)C 678217662 486927651 /nfs/dbraw/zinc/92/76/51/486927651.db2.gz DYCYBTXNDCENSP-LLVKDONJSA-N 1 1 195.306 3.146 10 0 AGAEMO CC1(C)CC[N@@H+](C[C@@H]2CC=CCC2)C1 678260585 486927825 /nfs/dbraw/zinc/92/78/25/486927825.db2.gz HRAKXXUOWNBDDT-GFCCVEGCSA-N 1 1 193.334 3.075 10 0 AGAEMO C[C@H]1CCCCC[N@H+]1Cc1ccco1 678263658 486927922 /nfs/dbraw/zinc/92/79/22/486927922.db2.gz BQOODFRWIDJFEO-NSHDSACASA-N 1 1 193.290 3.044 10 0 AGAEMO CC1(C)CC[N@@H+](C[C@H]2CC=CCC2)C1 678260586 486927952 /nfs/dbraw/zinc/92/79/52/486927952.db2.gz HRAKXXUOWNBDDT-LBPRGKRZSA-N 1 1 193.334 3.075 10 0 AGAEMO C[C@H]1CCC[N@H+]1CC1CCCCCC1 678259557 486928403 /nfs/dbraw/zinc/92/84/03/486928403.db2.gz CYRZKOVHPFWBDQ-LBPRGKRZSA-N 1 1 195.350 3.441 10 0 AGAEMO C[C@@H]1CCCCC[N@H+]1Cc1ccco1 678263657 486928499 /nfs/dbraw/zinc/92/84/99/486928499.db2.gz BQOODFRWIDJFEO-LLVKDONJSA-N 1 1 193.290 3.044 10 0 AGAEMO C[C@@H]1CCC[N@H+]1CC1CCCCCC1 678259556 486928648 /nfs/dbraw/zinc/92/86/48/486928648.db2.gz CYRZKOVHPFWBDQ-GFCCVEGCSA-N 1 1 195.350 3.441 10 0 AGAEMO CC(C)[N@@H+](C[C@H]1C[C@H]1C)C1CCCC1 678280444 486930613 /nfs/dbraw/zinc/93/06/13/486930613.db2.gz SWDRWGPZYQQACA-VXGBXAGGSA-N 1 1 195.350 3.295 10 0 AGAEMO CC(C)[N@@H+](C[C@@H]1C[C@@H]1C)C1CCCC1 678280443 486930864 /nfs/dbraw/zinc/93/08/64/486930864.db2.gz SWDRWGPZYQQACA-RYUDHWBXSA-N 1 1 195.350 3.295 10 0 AGAEMO CC(C)[N@@H+](C[C@H]1C[C@@H]1C)C1CCCC1 678280442 486930885 /nfs/dbraw/zinc/93/08/85/486930885.db2.gz SWDRWGPZYQQACA-NWDGAFQWSA-N 1 1 195.350 3.295 10 0 AGAEMO CC(C)[N@@H+](C[C@@H]1C[C@H]1C)C1CCCC1 678280441 486931260 /nfs/dbraw/zinc/93/12/60/486931260.db2.gz SWDRWGPZYQQACA-NEPJUHHUSA-N 1 1 195.350 3.295 10 0 AGAEMO C[N@@H+](CCC1CC1)C[C@H]1CC=CCC1 678338464 486933787 /nfs/dbraw/zinc/93/37/87/486933787.db2.gz AJPVNWSZAGZEFW-ZDUSSCGKSA-N 1 1 193.334 3.075 10 0 AGAEMO C[N@@H+](CCC1CC1)C[C@@H]1CC=CCC1 678338463 486933642 /nfs/dbraw/zinc/93/36/42/486933642.db2.gz AJPVNWSZAGZEFW-CYBMUJFWSA-N 1 1 193.334 3.075 10 0 AGAEMO C[C@H]1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 678461226 486936569 /nfs/dbraw/zinc/93/65/69/486936569.db2.gz KHVXPTSGZPSRGN-WCQYABFASA-N 1 1 195.350 3.155 10 0 AGAEMO C[C@@H]1CCC[C@H](C[N@@H+](C)CC2CC2)C1 678461227 486936758 /nfs/dbraw/zinc/93/67/58/486936758.db2.gz KHVXPTSGZPSRGN-YPMHNXCESA-N 1 1 195.350 3.155 10 0 AGAEMO C[C@H]1CCC[C@H](C[N@@H+](C)CC2CC2)C1 678461224 486936846 /nfs/dbraw/zinc/93/68/46/486936846.db2.gz KHVXPTSGZPSRGN-AAEUAGOBSA-N 1 1 195.350 3.155 10 0 AGAEMO C[C@@H]1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 678461225 486936989 /nfs/dbraw/zinc/93/69/89/486936989.db2.gz KHVXPTSGZPSRGN-DGCLKSJQSA-N 1 1 195.350 3.155 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)Cc1ccoc1 678819084 486946537 /nfs/dbraw/zinc/94/65/37/486946537.db2.gz NEQUUEHLRCYFIC-LLVKDONJSA-N 1 1 195.306 3.148 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H]1C1CC1 678823510 486946605 /nfs/dbraw/zinc/94/66/05/486946605.db2.gz QAYIDFQIAADBOA-WCQYABFASA-N 1 1 195.350 3.297 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)Cc1ccco1 678811441 486946632 /nfs/dbraw/zinc/94/66/32/486946632.db2.gz BPECRCUZPMIWHL-NSHDSACASA-N 1 1 195.306 3.148 10 0 AGAEMO CCC[C@H](C)C[N@@H+](C)Cc1ccoc1 678819085 486946729 /nfs/dbraw/zinc/94/67/29/486946729.db2.gz NEQUUEHLRCYFIC-NSHDSACASA-N 1 1 195.306 3.148 10 0 AGAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@H]1C1CC1 678823508 486946901 /nfs/dbraw/zinc/94/69/01/486946901.db2.gz QAYIDFQIAADBOA-DGCLKSJQSA-N 1 1 195.350 3.297 10 0 AGAEMO CCC[C@@H](C)C[N@@H+](C)Cc1ccco1 678811440 486947033 /nfs/dbraw/zinc/94/70/33/486947033.db2.gz BPECRCUZPMIWHL-LLVKDONJSA-N 1 1 195.306 3.148 10 0 AGAEMO CCC[C@@H](C)C[N@H+]1CCC[C@H]1C1CC1 678823511 486947269 /nfs/dbraw/zinc/94/72/69/486947269.db2.gz QAYIDFQIAADBOA-YPMHNXCESA-N 1 1 195.350 3.297 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CCC[C@H]1C1CC1 678823507 486947313 /nfs/dbraw/zinc/94/73/13/486947313.db2.gz QAYIDFQIAADBOA-AAEUAGOBSA-N 1 1 195.350 3.297 10 0 AGAEMO CCC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 678835868 486947622 /nfs/dbraw/zinc/94/76/22/486947622.db2.gz PAQVJTCRJMSBKN-UTUOFQBUSA-N 1 1 195.350 3.010 10 0 AGAEMO CCC[C@H](C)C[N@H+]1CCC2(CCC2)C1 678831258 486947731 /nfs/dbraw/zinc/94/77/31/486947731.db2.gz LYAMTRGUBIADFK-LBPRGKRZSA-N 1 1 195.350 3.299 10 0 AGAEMO CCC[C@@H](C)C[N@H+]1CCC2(CCC2)C1 678831257 486947793 /nfs/dbraw/zinc/94/77/93/486947793.db2.gz LYAMTRGUBIADFK-GFCCVEGCSA-N 1 1 195.350 3.299 10 0 AGAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H](C2CC2)C1 678836588 486947879 /nfs/dbraw/zinc/94/78/79/486947879.db2.gz BNVBHUUADWFSFN-DGCLKSJQSA-N 1 1 195.350 3.155 10 0 AGAEMO 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306506027 1188798849 /nfs/dbraw/zinc/79/88/49/1188798849.db2.gz UWKSHBYBRVICIU-IJLUTSLNSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[N@@H+](C)[C@@H]1CC[C@H](C)[C@@H](C)C1 306506029 1188799038 /nfs/dbraw/zinc/79/90/38/1188799038.db2.gz UWKSHBYBRVICIU-SDDRHHMPSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC[N@@H+](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 306506026 1188799052 /nfs/dbraw/zinc/79/90/52/1188799052.db2.gz UWKSHBYBRVICIU-GRYCIOLGSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC1CCC([N@@H+](C)C2CC2)CC1 307004651 1188803717 /nfs/dbraw/zinc/80/37/17/1188803717.db2.gz CWPFSAAPKPONKX-UHFFFAOYSA-N 1 1 181.323 3.049 10 0 AGAEMO CCC[C@H](C)[N@H+]1CCCC1(C)C 307131246 1188805567 /nfs/dbraw/zinc/80/55/67/1188805567.db2.gz LDXMOFCNWGMMIA-JTQLQIEISA-N 1 1 169.312 3.049 10 0 AGAEMO CCC[C@@H](C)[N@H+]1CCCC1(C)C 307131247 1188805576 /nfs/dbraw/zinc/80/55/76/1188805576.db2.gz LDXMOFCNWGMMIA-SNVBAGLBSA-N 1 1 169.312 3.049 10 0 AGAEMO C[C@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C)C1 307525560 1188807739 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/nfs/dbraw/zinc/04/25/48/167042548.db2.gz YHZCQENJGQICRT-LLVKDONJSA-N 1 1 192.306 3.381 10 0 AGAEMO CCC[C@H](C)[NH2+]c1ccc(N)cc1C 36950110 167071661 /nfs/dbraw/zinc/07/16/61/167071661.db2.gz IORCWUUICVZQJR-JTQLQIEISA-N 1 1 192.306 3.178 10 0 AGAEMO CCC[C@H](CC)Nc1[nH+]cccc1C 51041210 167075317 /nfs/dbraw/zinc/07/53/17/167075317.db2.gz YHZCQENJGQICRT-NSHDSACASA-N 1 1 192.306 3.381 10 0 AGAEMO CCC[C@H](CC)Nc1ccc(C)c[nH+]1 50405896 167075959 /nfs/dbraw/zinc/07/59/59/167075959.db2.gz MOCUWPFSZRNWLG-NSHDSACASA-N 1 1 192.306 3.381 10 0 AGAEMO COC(=[NH2+])c1cc(C(C)C)ccc1C 77276387 168077146 /nfs/dbraw/zinc/07/71/46/168077146.db2.gz HTVHSLZCXGERMW-UHFFFAOYSA-N 1 1 191.274 3.090 10 0 AGAEMO Cc1ccc(NC2(C)CCCC2)[nH+]c1 42187752 168826351 /nfs/dbraw/zinc/82/63/51/168826351.db2.gz BBPVJOPESZOVRZ-UHFFFAOYSA-N 1 1 190.290 3.135 10 0 AGAEMO Cc1cc[nH+]c(N[C@@H](C)CC(C)C)c1 43561448 168890593 /nfs/dbraw/zinc/89/05/93/168890593.db2.gz DECGZMWYJKUTPX-NSHDSACASA-N 1 1 192.306 3.237 10 0 AGAEMO CCCCc1cc(C)[nH+]c(C)c1 5310329 171016447 /nfs/dbraw/zinc/01/64/47/171016447.db2.gz URCODQMPKZBRCF-UHFFFAOYSA-N 1 1 163.264 3.041 10 0 AGAEMO C[C@H]1CC[C@@H](C)[N@H+]1Cc1ccccc1 98091469 171198769 /nfs/dbraw/zinc/19/87/69/171198769.db2.gz KKRNGUFZPFNIFS-TXEJJXNPSA-N 1 1 189.302 3.059 10 0 AGAEMO CC(C)c1cn2c([nH+]1)C[C@@H](C)C[C@@H]2C 166710127 344287619 /nfs/dbraw/zinc/28/76/19/344287619.db2.gz MYHIJRBDFHGVSV-UWVGGRQHSA-N 1 1 192.306 3.150 10 0 AGAEMO C[N@H+]1CCCC2=C1CCc1ccccc12 215316053 344388366 /nfs/dbraw/zinc/38/83/66/344388366.db2.gz YTGXDEOCQYGRPK-UHFFFAOYSA-N 1 1 199.297 3.070 10 0 AGAEMO C[N@H+]1CCC[C@H]1c1ccccc1Cl 218221875 344410714 /nfs/dbraw/zinc/41/07/14/344410714.db2.gz IIPXKRUCKNKVMM-NSHDSACASA-N 1 1 195.693 3.107 10 0 AGAEMO C[C@H]1C[C@@H](C)C[N@@H+]1CCC(C)(C)C 306192766 345082931 /nfs/dbraw/zinc/08/29/31/345082931.db2.gz AGZQLQCRALZWDF-MNOVXSKESA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@H]1C[C@@H](C)[N@@H+](CCC(C)(C)C)C1 306192774 345082969 /nfs/dbraw/zinc/08/29/69/345082969.db2.gz AGZQLQCRALZWDF-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@]1(C)CC[N@H+]([C@H](C)C(C)C)C1 306217228 345108804 /nfs/dbraw/zinc/10/88/04/345108804.db2.gz CZQRSEIHNAIGBS-VXGBXAGGSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)C(C)C 306434414 345294528 /nfs/dbraw/zinc/29/45/28/345294528.db2.gz ZXSHUTOVBONZJM-RYUDHWBXSA-N 1 1 183.339 3.295 10 0 AGAEMO CC(C)CC[N@H+]1C[C@H](C)CC[C@@H]1C 306464594 345324826 /nfs/dbraw/zinc/32/48/26/345324826.db2.gz ASNIOZVTMNSQJW-NEPJUHHUSA-N 1 1 183.339 3.153 10 0 AGAEMO CC(C)CC[N@H+]1C[C@@H](C)CC[C@H]1C 306464595 345324849 /nfs/dbraw/zinc/32/48/49/345324849.db2.gz ASNIOZVTMNSQJW-NWDGAFQWSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[N@@H+](C1CCC1)[C@H]1CC[C@H](C)C1 306708698 345562417 /nfs/dbraw/zinc/56/24/17/345562417.db2.gz LCRKIAVXQDIFJI-JQWIXIFHSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[N@@H+](C1CCC1)[C@@H]1CC[C@H](C)C1 306708697 345562420 /nfs/dbraw/zinc/56/24/20/345562420.db2.gz LCRKIAVXQDIFJI-CMPLNLGQSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 307515154 346085162 /nfs/dbraw/zinc/08/51/62/346085162.db2.gz DNYCIZAYFPIIOH-RYUDHWBXSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 307515152 346085233 /nfs/dbraw/zinc/08/52/33/346085233.db2.gz DNYCIZAYFPIIOH-NWDGAFQWSA-N 1 1 183.339 3.153 10 0 AGAEMO CCCCC[N@@H+](C)C(C1CC1)C1CC1 605150173 346968300 /nfs/dbraw/zinc/96/83/00/346968300.db2.gz GGNVKFMSFUJDRA-UHFFFAOYSA-N 1 1 195.350 3.297 10 0 AGAEMO CC(C)[N@@H+](CC1CCCC1)C1CCC1 607155940 346989674 /nfs/dbraw/zinc/98/96/74/346989674.db2.gz IFYVKNLXXCRQOP-UHFFFAOYSA-N 1 1 195.350 3.440 10 0 AGAEMO C[C@H]1CCCCC[N@H+]1CCC1CC1 608497420 347006505 /nfs/dbraw/zinc/00/65/05/347006505.db2.gz OFMKCFRQOAEYNI-NSHDSACASA-N 1 1 181.323 3.051 10 0 AGAEMO C[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2C=CCCC2)C1 608511098 347010790 /nfs/dbraw/zinc/01/07/90/347010790.db2.gz KGJONFVDTASYJU-JHJVBQTASA-N 1 1 193.334 3.216 10 0 AGAEMO CC1(C[N@H+]2CCCC2(C)C)CCC1 307505415 409651407 /nfs/dbraw/zinc/65/14/07/409651407.db2.gz ZPPHDEMAGJFXIB-UHFFFAOYSA-N 1 1 181.323 3.051 10 0 AGAEMO CC/C=C\CCn1cc[nH+]c1C1CC1 530129122 325664398 /nfs/dbraw/zinc/66/43/98/325664398.db2.gz HPKPNVOALGEDFW-ARJAWSKDSA-N 1 1 190.290 3.117 10 0 AGAEMO CC/C=C/CCn1cc[nH+]c1C1CC1 530129123 325664506 /nfs/dbraw/zinc/66/45/06/325664506.db2.gz HPKPNVOALGEDFW-ONEGZZNKSA-N 1 1 190.290 3.117 10 0 AGAEMO CC(C)C[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C 1682166 342957980 /nfs/dbraw/zinc/95/79/80/342957980.db2.gz DWCNXVRUWLTLFA-GRYCIOLGSA-N 1 1 183.339 3.294 10 0 AGAEMO C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 28100181 343091682 /nfs/dbraw/zinc/09/16/82/343091682.db2.gz PGKLSPPYVCCNSH-NSHDSACASA-N 1 1 195.693 3.107 10 0 AGAEMO C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 28100176 343091734 /nfs/dbraw/zinc/09/17/34/343091734.db2.gz PGKLSPPYVCCNSH-LLVKDONJSA-N 1 1 195.693 3.107 10 0 AGAEMO CCC(CC)[NH2+]c1ccc(N)c(C)c1 35277626 343131201 /nfs/dbraw/zinc/13/12/01/343131201.db2.gz ZCCZTLVFHRVGOJ-UHFFFAOYSA-N 1 1 192.306 3.178 10 0 AGAEMO Cc1cc([NH2+][C@@H](C)C(C)C)ccc1N 35277851 343131206 /nfs/dbraw/zinc/13/12/06/343131206.db2.gz FOLQIAOQKRPIBD-JTQLQIEISA-N 1 1 192.306 3.034 10 0 AGAEMO Cc1cc([NH2+]CCC(C)C)ccc1N 35277713 343131468 /nfs/dbraw/zinc/13/14/68/343131468.db2.gz OPXJKAPMRDFDHD-UHFFFAOYSA-N 1 1 192.306 3.035 10 0 AGAEMO CCC(C)(C)[NH2+]c1ccc(N)c(C)c1 35277873 343131502 /nfs/dbraw/zinc/13/15/02/343131502.db2.gz ZTEBYOGZMVQVNE-UHFFFAOYSA-N 1 1 192.306 3.178 10 0 AGAEMO Cc1cc(N)ccc1[NH2+][C@H](C)C(C)C 36950151 343156516 /nfs/dbraw/zinc/15/65/16/343156516.db2.gz JZGYBSZGWKBKAU-SNVBAGLBSA-N 1 1 192.306 3.034 10 0 AGAEMO Cc1cc(N)ccc1[NH2+][C@@H](C)C(C)C 36950150 343156528 /nfs/dbraw/zinc/15/65/28/343156528.db2.gz JZGYBSZGWKBKAU-JTQLQIEISA-N 1 1 192.306 3.034 10 0 AGAEMO Cc1cccc(N[C@H](C)CC(C)C)[nH+]1 37670656 343173397 /nfs/dbraw/zinc/17/33/97/343173397.db2.gz VNIVSMSKHWEZQB-LLVKDONJSA-N 1 1 192.306 3.237 10 0 AGAEMO Cc1cccc(N[C@@H](C)CC(C)C)[nH+]1 37670654 343173415 /nfs/dbraw/zinc/17/34/15/343173415.db2.gz VNIVSMSKHWEZQB-NSHDSACASA-N 1 1 192.306 3.237 10 0 AGAEMO Cc1cc(C)c(C)c(C(C)C)[nH+]1 39103881 343198797 /nfs/dbraw/zinc/19/87/97/343198797.db2.gz NVPCHSBLAHFKHQ-UHFFFAOYSA-N 1 1 163.264 3.130 10 0 AGAEMO Cc1cc(C)c2c([nH+]1)[C@@H](C)CCC2 39111380 343199358 /nfs/dbraw/zinc/19/93/58/343199358.db2.gz ZCQUVMMJCJQPMM-QMMMGPOBSA-N 1 1 175.275 3.138 10 0 AGAEMO Cc1cccc(NC2(C)CCCC2)[nH+]1 42187692 343237968 /nfs/dbraw/zinc/23/79/68/343237968.db2.gz UVFBIBLSTJLLAM-UHFFFAOYSA-N 1 1 190.290 3.135 10 0 AGAEMO CC[C@H](C)[C@@H](C)Nc1ccc(C)c[nH+]1 42557390 343246750 /nfs/dbraw/zinc/24/67/50/343246750.db2.gz QTKDUQJNCLSRLV-WDEREUQCSA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@@H](C)[C@@H](C)Nc1ccc(C)c[nH+]1 42557387 343246761 /nfs/dbraw/zinc/24/67/61/343246761.db2.gz QTKDUQJNCLSRLV-GHMZBOCLSA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@@H](C)[C@H](C)Nc1ccc(C)c[nH+]1 42557393 343246767 /nfs/dbraw/zinc/24/67/67/343246767.db2.gz QTKDUQJNCLSRLV-MNOVXSKESA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@H](C)[C@H](C)Nc1ccc(C)c[nH+]1 42557396 343247264 /nfs/dbraw/zinc/24/72/64/343247264.db2.gz QTKDUQJNCLSRLV-QWRGUYRKSA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@@H](Nc1ccc(C)c[nH+]1)C(C)C 42591195 343248531 /nfs/dbraw/zinc/24/85/31/343248531.db2.gz VKFDECOQOBLCJN-LLVKDONJSA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@H](Nc1cccc(C)[nH+]1)C(C)C 42591057 343248592 /nfs/dbraw/zinc/24/85/92/343248592.db2.gz PLHWBRCIWUIUAM-NSHDSACASA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@H](Nc1ccc(C)c[nH+]1)C(C)C 42591192 343248669 /nfs/dbraw/zinc/24/86/69/343248669.db2.gz VKFDECOQOBLCJN-NSHDSACASA-N 1 1 192.306 3.237 10 0 AGAEMO Cc1cc[nH+]c(N[C@H](C)CC(C)C)c1 43561449 343255542 /nfs/dbraw/zinc/25/55/42/343255542.db2.gz DECGZMWYJKUTPX-LLVKDONJSA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@H](C)[C@@H](C)Nc1[nH+]cccc1C 51041070 343288088 /nfs/dbraw/zinc/28/80/88/343288088.db2.gz FAUVCOBXIXPMAN-GXSJLCMTSA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@H](Nc1[nH+]cccc1C)C(C)C 51041085 343288231 /nfs/dbraw/zinc/28/82/31/343288231.db2.gz KQHLOGMMANUVEL-NSHDSACASA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@H](C)[C@H](C)Nc1[nH+]cccc1C 51041072 343288279 /nfs/dbraw/zinc/28/82/79/343288279.db2.gz FAUVCOBXIXPMAN-ONGXEEELSA-N 1 1 192.306 3.237 10 0 AGAEMO CC[C@H](C)C[NH2+]c1ccc(N)cc1C 54466749 343324672 /nfs/dbraw/zinc/32/46/72/343324672.db2.gz CYAYWHJGLIIITN-VIFPVBQESA-N 1 1 192.306 3.035 10 0 AGAEMO CC[C@@H](C)C[NH2+]c1ccc(N)cc1C 54466747 343324711 /nfs/dbraw/zinc/32/47/11/343324711.db2.gz CYAYWHJGLIIITN-SECBINFHSA-N 1 1 192.306 3.035 10 0 AGAEMO CCCc1[nH+]ccn1C1CCCCC1 70531709 343489276 /nfs/dbraw/zinc/48/92/76/343489276.db2.gz WBSBIJWIOMSWOQ-UHFFFAOYSA-N 1 1 192.306 3.341 10 0 AGAEMO CC[C@@H]1CCC[C@@H](n2cc[nH+]c2C)C1 70567786 343493242 /nfs/dbraw/zinc/49/32/42/343493242.db2.gz IKLHFIXZVQSGLA-VXGBXAGGSA-N 1 1 192.306 3.333 10 0 AGAEMO CC[C@H]1CCC[C@@H](n2cc[nH+]c2C)C1 70567787 343493271 /nfs/dbraw/zinc/49/32/71/343493271.db2.gz IKLHFIXZVQSGLA-NWDGAFQWSA-N 1 1 192.306 3.333 10 0 AGAEMO CC[C@@H]1CCC[C@H](n2cc[nH+]c2C)C1 70567784 343493325 /nfs/dbraw/zinc/49/33/25/343493325.db2.gz IKLHFIXZVQSGLA-NEPJUHHUSA-N 1 1 192.306 3.333 10 0 AGAEMO CC[C@H]1CCC[C@H](n2cc[nH+]c2C)C1 70567785 343493335 /nfs/dbraw/zinc/49/33/35/343493335.db2.gz IKLHFIXZVQSGLA-RYUDHWBXSA-N 1 1 192.306 3.333 10 0 AGAEMO CCc1[nH+]ccn1[C@@H]1CCC[C@H](C)C1 70567788 343493384 /nfs/dbraw/zinc/49/33/84/343493384.db2.gz AIKWUHHVMZMKBU-WDEREUQCSA-N 1 1 192.306 3.197 10 0 AGAEMO CCc1[nH+]ccn1[C@@H]1CCC[C@@H](C)C1 70567790 343493706 /nfs/dbraw/zinc/49/37/06/343493706.db2.gz AIKWUHHVMZMKBU-GHMZBOCLSA-N 1 1 192.306 3.197 10 0 AGAEMO CCc1[nH+]ccn1[C@H]1CCC[C@@H](C)C1 70567791 343493840 /nfs/dbraw/zinc/49/38/40/343493840.db2.gz AIKWUHHVMZMKBU-MNOVXSKESA-N 1 1 192.306 3.197 10 0 AGAEMO CCC[N@@H+](CC)CCC(C)(C)C 114734068 343764274 /nfs/dbraw/zinc/76/42/74/343764274.db2.gz ICSXBJYHXWMPKS-UHFFFAOYSA-N 1 1 171.328 3.155 10 0 AGAEMO CCCCCC[C@H](C)c1[nH]cc[nH+]1 114817531 343764935 /nfs/dbraw/zinc/76/49/35/343764935.db2.gz ODOSQXOUIFNRGF-JTQLQIEISA-N 1 1 180.295 3.484 10 0 AGAEMO CCCCCC[C@@H](C)c1[nH]cc[nH+]1 114817528 343765063 /nfs/dbraw/zinc/76/50/63/343765063.db2.gz ODOSQXOUIFNRGF-SNVBAGLBSA-N 1 1 180.295 3.484 10 0 AGAEMO CCCCc1[nH]c2c([nH+]1)[C@H](C)CCC2 127462485 343811463 /nfs/dbraw/zinc/81/14/63/343811463.db2.gz KJYICVKIMGAVOB-SECBINFHSA-N 1 1 192.306 3.192 10 0 AGAEMO CCCCc1[nH]c2c([nH+]1)CCC[C@H]2C 127462485 343811466 /nfs/dbraw/zinc/81/14/66/343811466.db2.gz KJYICVKIMGAVOB-SECBINFHSA-N 1 1 192.306 3.192 10 0 AGAEMO CC(C)[C@@H](C)c1[nH]c2c([nH+]1)CCCC2 127457240 343811895 /nfs/dbraw/zinc/81/18/95/343811895.db2.gz SCDJSABKCRWKQW-SECBINFHSA-N 1 1 192.306 3.048 10 0 AGAEMO CC(C)Cc1[nH]c2c([nH+]1)CCC[C@H]2C 127463415 343811899 /nfs/dbraw/zinc/81/18/99/343811899.db2.gz VTMXHHWNJYEYBP-SECBINFHSA-N 1 1 192.306 3.048 10 0 AGAEMO CC(C)Cc1[nH]c2c([nH+]1)[C@H](C)CCC2 127463415 343811900 /nfs/dbraw/zinc/81/19/00/343811900.db2.gz VTMXHHWNJYEYBP-SECBINFHSA-N 1 1 192.306 3.048 10 0 AGAEMO CCCCc1[nH]c2c([nH+]1)[C@@H](C)CCC2 127462718 343811903 /nfs/dbraw/zinc/81/19/03/343811903.db2.gz KJYICVKIMGAVOB-VIFPVBQESA-N 1 1 192.306 3.192 10 0 AGAEMO CCCCc1[nH]c2c([nH+]1)CCC[C@@H]2C 127462718 343811904 /nfs/dbraw/zinc/81/19/04/343811904.db2.gz KJYICVKIMGAVOB-VIFPVBQESA-N 1 1 192.306 3.192 10 0 AGAEMO CC[C@@H](C)c1[nH]c2c([nH+]1)[C@@H](C)CCC2 127486648 343812220 /nfs/dbraw/zinc/81/22/20/343812220.db2.gz QGCFXUYNWWFWPA-BDAKNGLRSA-N 1 1 192.306 3.363 10 0 AGAEMO CC[C@@H](C)c1[nH]c2c([nH+]1)CCC[C@@H]2C 127486648 343812222 /nfs/dbraw/zinc/81/22/22/343812222.db2.gz QGCFXUYNWWFWPA-BDAKNGLRSA-N 1 1 192.306 3.363 10 0 AGAEMO CC[C@H](C)c1[nH]c2c([nH+]1)[C@H](C)CCC2 127486416 343812322 /nfs/dbraw/zinc/81/23/22/343812322.db2.gz QGCFXUYNWWFWPA-DTWKUNHWSA-N 1 1 192.306 3.363 10 0 AGAEMO CC[C@H](C)c1[nH]c2c([nH+]1)CCC[C@H]2C 127486416 343812325 /nfs/dbraw/zinc/81/23/25/343812325.db2.gz QGCFXUYNWWFWPA-DTWKUNHWSA-N 1 1 192.306 3.363 10 0 AGAEMO C[C@H]1CCCc2[nH]c(C(C)(C)C)[nH+]c21 127472505 343812383 /nfs/dbraw/zinc/81/23/83/343812383.db2.gz MSGKBOJNNSNMJB-QMMMGPOBSA-N 1 1 192.306 3.147 10 0 AGAEMO C[C@H]1CCCc2[nH+]c(C(C)(C)C)[nH]c21 127472505 343812385 /nfs/dbraw/zinc/81/23/85/343812385.db2.gz MSGKBOJNNSNMJB-QMMMGPOBSA-N 1 1 192.306 3.147 10 0 AGAEMO CC[C@H](C)c1[nH]c2c([nH+]1)[C@@H](C)CCC2 127486870 343812571 /nfs/dbraw/zinc/81/25/71/343812571.db2.gz QGCFXUYNWWFWPA-IUCAKERBSA-N 1 1 192.306 3.363 10 0 AGAEMO CC[C@H](C)c1[nH]c2c([nH+]1)CCC[C@@H]2C 127486870 343812572 /nfs/dbraw/zinc/81/25/72/343812572.db2.gz QGCFXUYNWWFWPA-IUCAKERBSA-N 1 1 192.306 3.363 10 0 AGAEMO C[C@@H]1CCCc2[nH]c(C(C)(C)C)[nH+]c21 127472270 343812761 /nfs/dbraw/zinc/81/27/61/343812761.db2.gz MSGKBOJNNSNMJB-MRVPVSSYSA-N 1 1 192.306 3.147 10 0 AGAEMO C[C@@H]1CCCc2[nH+]c(C(C)(C)C)[nH]c21 127472270 343812764 /nfs/dbraw/zinc/81/27/64/343812764.db2.gz MSGKBOJNNSNMJB-MRVPVSSYSA-N 1 1 192.306 3.147 10 0 AGAEMO CC[C@@H](C)c1[nH]c2c([nH+]1)C[C@H](C)CC2 127541416 343813011 /nfs/dbraw/zinc/81/30/11/343813011.db2.gz WCGHHLOFRAPRTC-RKDXNWHRSA-N 1 1 192.306 3.048 10 0 AGAEMO CC[C@@H](C)c1[nH]c2c([nH+]1)CC[C@@H](C)C2 127541416 343813012 /nfs/dbraw/zinc/81/30/12/343813012.db2.gz WCGHHLOFRAPRTC-RKDXNWHRSA-N 1 1 192.306 3.048 10 0 AGAEMO CC[C@H](C)c1[nH]c2c([nH+]1)C[C@@H](C)CC2 127542111 343813394 /nfs/dbraw/zinc/81/33/94/343813394.db2.gz WCGHHLOFRAPRTC-IUCAKERBSA-N 1 1 192.306 3.048 10 0 AGAEMO CC[C@H](C)c1[nH]c2c([nH+]1)CC[C@H](C)C2 127542111 343813396 /nfs/dbraw/zinc/81/33/96/343813396.db2.gz WCGHHLOFRAPRTC-IUCAKERBSA-N 1 1 192.306 3.048 10 0 AGAEMO CC[C@@H](C)c1[nH]c2c([nH+]1)C[C@@H](C)CC2 127541855 343813486 /nfs/dbraw/zinc/81/34/86/343813486.db2.gz WCGHHLOFRAPRTC-DTWKUNHWSA-N 1 1 192.306 3.048 10 0 AGAEMO CC[C@@H](C)c1[nH]c2c([nH+]1)CC[C@H](C)C2 127541855 343813487 /nfs/dbraw/zinc/81/34/87/343813487.db2.gz WCGHHLOFRAPRTC-DTWKUNHWSA-N 1 1 192.306 3.048 10 0 AGAEMO CC[C@H](C)c1[nH]c2c([nH+]1)C[C@H](C)CC2 127541636 343813516 /nfs/dbraw/zinc/81/35/16/343813516.db2.gz WCGHHLOFRAPRTC-BDAKNGLRSA-N 1 1 192.306 3.048 10 0 AGAEMO CC[C@H](C)c1[nH]c2c([nH+]1)CC[C@@H](C)C2 127541636 343813517 /nfs/dbraw/zinc/81/35/17/343813517.db2.gz WCGHHLOFRAPRTC-BDAKNGLRSA-N 1 1 192.306 3.048 10 0 AGAEMO Nc1[nH+]cccc1C1CCCCCC1 128565661 343834246 /nfs/dbraw/zinc/83/42/46/343834246.db2.gz LIAKCTWEBFSCGK-UHFFFAOYSA-N 1 1 190.290 3.102 10 0 AGAEMO CCCc1[nH]c2c([nH+]1)C[C@H](C)C[C@H]2C 131126393 343880445 /nfs/dbraw/zinc/88/04/45/343880445.db2.gz LQPSITFXLSHYQV-RKDXNWHRSA-N 1 1 192.306 3.048 10 0 AGAEMO CCCc1[nH]c2c([nH+]1)[C@H](C)C[C@@H](C)C2 131126393 343880441 /nfs/dbraw/zinc/88/04/41/343880441.db2.gz LQPSITFXLSHYQV-RKDXNWHRSA-N 1 1 192.306 3.048 10 0 AGAEMO CCCc1[nH]c2c([nH+]1)[C@@H](C)C[C@H](C)C2 131126180 343880569 /nfs/dbraw/zinc/88/05/69/343880569.db2.gz LQPSITFXLSHYQV-IUCAKERBSA-N 1 1 192.306 3.048 10 0 AGAEMO CCCc1[nH]c2c([nH+]1)C[C@@H](C)C[C@@H]2C 131126180 343880570 /nfs/dbraw/zinc/88/05/70/343880570.db2.gz 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AGAEMO CCC(C)(C)Nc1cc[nH+]cc1Cl 135150742 343955602 /nfs/dbraw/zinc/95/56/02/343955602.db2.gz GNPUGLATUXCZQL-UHFFFAOYSA-N 1 1 198.697 3.336 10 0 AGAEMO Cc1c(C(C)C)[nH+]c2n1CCC[C@H]2C 135896487 343971165 /nfs/dbraw/zinc/97/11/65/343971165.db2.gz MCUNYXIPXNCAQU-SECBINFHSA-N 1 1 192.306 3.212 10 0 AGAEMO C[C@@H]1CCCn2c(C(C)(C)C)c[nH+]c21 135893881 343971186 /nfs/dbraw/zinc/97/11/86/343971186.db2.gz LBOQCSBDIRMTIX-SECBINFHSA-N 1 1 192.306 3.078 10 0 AGAEMO C[C@H]1CCCn2c(C(C)(C)C)c[nH+]c21 135893909 343971201 /nfs/dbraw/zinc/97/12/01/343971201.db2.gz LBOQCSBDIRMTIX-VIFPVBQESA-N 1 1 192.306 3.078 10 0 AGAEMO Cc1c(C(C)C)[nH+]c2n1CCC[C@@H]2C 135896448 343971254 /nfs/dbraw/zinc/97/12/54/343971254.db2.gz MCUNYXIPXNCAQU-VIFPVBQESA-N 1 1 192.306 3.212 10 0 AGAEMO Cc1c(C(C)C)[nH+]c2n1[C@H](C)CCC2 135913386 343971548 /nfs/dbraw/zinc/97/15/48/343971548.db2.gz OSTOLMQNENTKLU-SECBINFHSA-N 1 1 192.306 3.212 10 0 AGAEMO Cc1c(C(C)C)[nH+]c2n1[C@@H](C)CCC2 135913426 343971775 /nfs/dbraw/zinc/97/17/75/343971775.db2.gz OSTOLMQNENTKLU-VIFPVBQESA-N 1 1 192.306 3.212 10 0 AGAEMO CC(C)[C@@H]1CCCC[N@H+]1C(C)(C)C 143514936 344019861 /nfs/dbraw/zinc/01/98/61/344019861.db2.gz ZGUZNMNUWUOSFX-NSHDSACASA-N 1 1 183.339 3.295 10 0 AGAEMO CC(C)[C@H]1CCCC[N@H+]1C(C)(C)C 143515134 344020062 /nfs/dbraw/zinc/02/00/62/344020062.db2.gz ZGUZNMNUWUOSFX-LLVKDONJSA-N 1 1 183.339 3.295 10 0 AGAEMO CCCCC[N@H+]1CCC[C@@H](C)[C@@H]1C 144620824 344028012 /nfs/dbraw/zinc/02/80/12/344028012.db2.gz DLTGQCHGYXYZOX-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@H+]1CCC[C@H](C)[C@@H]1C 144621041 344028095 /nfs/dbraw/zinc/02/80/95/344028095.db2.gz DLTGQCHGYXYZOX-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CC(C)[N@H+]1CCc2ccccc2[C@@H]1C 144715532 344028917 /nfs/dbraw/zinc/02/89/17/344028917.db2.gz OYGKKUIXTXERGW-NSHDSACASA-N 1 1 189.302 3.014 10 0 AGAEMO CC(C)[N@H+]1CCc2ccccc2[C@H]1C 144715734 344029070 /nfs/dbraw/zinc/02/90/70/344029070.db2.gz OYGKKUIXTXERGW-LLVKDONJSA-N 1 1 189.302 3.014 10 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/nfs/dbraw/zinc/28/78/51/344287851.db2.gz MYHIJRBDFHGVSV-ZJUUUORDSA-N 1 1 192.306 3.150 10 0 AGAEMO CC(C)c1cn2c([nH+]1)C[C@H](C)C[C@H]2C 166710020 344287885 /nfs/dbraw/zinc/28/78/85/344287885.db2.gz MYHIJRBDFHGVSV-NXEZZACHSA-N 1 1 192.306 3.150 10 0 AGAEMO CC[C@H]1CCC[N@H+]1Cc1ccccc1 198979753 344360720 /nfs/dbraw/zinc/36/07/20/344360720.db2.gz DWEUFZFJGFDUEN-ZDUSSCGKSA-N 1 1 189.302 3.061 10 0 AGAEMO CC[C@@H]1CCC[N@H+]1Cc1ccccc1 198979737 344360824 /nfs/dbraw/zinc/36/08/24/344360824.db2.gz DWEUFZFJGFDUEN-CYBMUJFWSA-N 1 1 189.302 3.061 10 0 AGAEMO CC[N@@H+](CCC(C)(C)C)CC1CC1 202014730 344366160 /nfs/dbraw/zinc/36/61/60/344366160.db2.gz CXZUEMYYHCETEZ-UHFFFAOYSA-N 1 1 183.339 3.155 10 0 AGAEMO C[C@H]1CCC[C@@H](C)[N@H+]1[Si](C)(C)C 216141714 344395073 /nfs/dbraw/zinc/39/50/73/344395073.db2.gz NFVBAYVEVKKWEE-AOOOYVTPSA-N 1 1 185.387 3.084 10 0 AGAEMO C[N@H+]1CCC[C@@H]1c1ccccc1Cl 218221770 344410604 /nfs/dbraw/zinc/41/06/04/344410604.db2.gz IIPXKRUCKNKVMM-LLVKDONJSA-N 1 1 195.693 3.107 10 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3.189 10 0 AGAEMO Cc1c[nH+]cn1[C@@H]1CCC[C@H](C)[C@H]1C 228729846 344567450 /nfs/dbraw/zinc/56/74/50/344567450.db2.gz LRSYHDPFOCRGJI-MVWJERBFSA-N 1 1 192.306 3.189 10 0 AGAEMO CC1(Nc2cc[nH+]cc2Cl)CCC1 228890745 344574163 /nfs/dbraw/zinc/57/41/63/344574163.db2.gz URYGZYVMKFNWSL-UHFFFAOYSA-N 1 1 196.681 3.090 10 0 AGAEMO CCC(C)(CC)Nc1cccc(C)[nH+]1 230962497 344646201 /nfs/dbraw/zinc/64/62/01/344646201.db2.gz ZGFLHWCTMDSFGR-UHFFFAOYSA-N 1 1 192.306 3.381 10 0 AGAEMO CCC(C)(CC)Nc1[nH+]cccc1C 230962121 344646232 /nfs/dbraw/zinc/64/62/32/344646232.db2.gz AHULNHCUKHIXSR-UHFFFAOYSA-N 1 1 192.306 3.381 10 0 AGAEMO CCC(C)(CC)Nc1ccc(C)c[nH+]1 230961912 344646337 /nfs/dbraw/zinc/64/63/37/344646337.db2.gz JJUMMNSQMJBFCZ-UHFFFAOYSA-N 1 1 192.306 3.381 10 0 AGAEMO CCC(C)(C)CNc1[nH+]cccc1C 233045080 344699306 /nfs/dbraw/zinc/69/93/06/344699306.db2.gz LYEJZBHKEOTWOI-UHFFFAOYSA-N 1 1 192.306 3.238 10 0 AGAEMO CC(C)c1cccc([C@@H]([NH3+])C(F)F)c1 238163998 344794330 /nfs/dbraw/zinc/79/43/30/344794330.db2.gz RJHZIECPUAWBOW-SNVBAGLBSA-N 1 1 199.244 3.075 10 0 AGAEMO CC(C)c1cccc([C@H]([NH3+])C(F)F)c1 238164514 344794675 /nfs/dbraw/zinc/79/46/75/344794675.db2.gz RJHZIECPUAWBOW-JTQLQIEISA-N 1 1 199.244 3.075 10 0 AGAEMO Cc1ccc(Nc2cccc(C)[nH+]2)cc1 238525117 344810855 /nfs/dbraw/zinc/81/08/55/344810855.db2.gz NJZBCNWQHGNTLP-UHFFFAOYSA-N 1 1 198.269 3.442 10 0 AGAEMO Cc1[nH+]ccn1[C@@H]1C[C@@H](C)C[C@@H](C)C1 250843995 344842528 /nfs/dbraw/zinc/84/25/28/344842528.db2.gz ZUYJJLOTVATBEZ-IAZYJMLFSA-N 1 1 192.306 3.189 10 0 AGAEMO CCCc1ccc(C[N@@H+](C)CC)cc1 258987007 344947137 /nfs/dbraw/zinc/94/71/37/344947137.db2.gz CYAMLHJXVDZKOH-UHFFFAOYSA-N 1 1 191.318 3.091 10 0 AGAEMO CC[N@@H+](C)Cc1c(C)cc(C)cc1C 259204350 344948186 /nfs/dbraw/zinc/94/81/86/344948186.db2.gz WUEQTVIXKOGRSU-UHFFFAOYSA-N 1 1 191.318 3.064 10 0 AGAEMO C[C@@H]1C[C@@H](C)[N@@H+](CCC(C)(C)C)C1 306192764 345082503 /nfs/dbraw/zinc/08/25/03/345082503.db2.gz AGZQLQCRALZWDF-GHMZBOCLSA-N 1 1 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/nfs/dbraw/zinc/56/20/01/345562001.db2.gz KPNHFIBJONIBSO-CMPLNLGQSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[N@@H+](C1CCC1)[C@@H]1CC[C@@H](C)C1 306708700 345562487 /nfs/dbraw/zinc/56/24/87/345562487.db2.gz LCRKIAVXQDIFJI-ZYHUDNBSSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[N@@H+](C1CCC1)[C@H]1CC[C@@H](C)C1 306708699 345562499 /nfs/dbraw/zinc/56/24/99/345562499.db2.gz LCRKIAVXQDIFJI-PWSUYJOCSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@@H](C)CNc1c(C)cc[nH+]c1C 306710730 345563933 /nfs/dbraw/zinc/56/39/33/345563933.db2.gz WOWAUVIRWAWOHZ-SECBINFHSA-N 1 1 192.306 3.156 10 0 AGAEMO CC[C@H](C)CNc1c(C)cc[nH+]c1C 306710731 345563987 /nfs/dbraw/zinc/56/39/87/345563987.db2.gz WOWAUVIRWAWOHZ-VIFPVBQESA-N 1 1 192.306 3.156 10 0 AGAEMO Cc1[nH+]cn([C@@H](C)CC(C)C)c1C 306721623 345572405 /nfs/dbraw/zinc/57/24/05/345572405.db2.gz DVQQTHHZJCCREM-VIFPVBQESA-N 1 1 180.295 3.107 10 0 AGAEMO Cc1[nH+]cn([C@H](C)CC(C)C)c1C 306721622 345572512 /nfs/dbraw/zinc/57/25/12/345572512.db2.gz DVQQTHHZJCCREM-SECBINFHSA-N 1 1 180.295 3.107 10 0 AGAEMO Nc1cc(C2=CCCCCC2)cc[nH+]1 306737476 345584077 /nfs/dbraw/zinc/58/40/77/345584077.db2.gz ZATVQFNHVZEIRI-UHFFFAOYSA-N 1 1 188.274 3.011 10 0 AGAEMO C[N@@H+](C1CC1)[C@@H]1CCCC(C)(C)C1 306759999 345595864 /nfs/dbraw/zinc/59/58/64/345595864.db2.gz XILWGUCHOMSYET-LLVKDONJSA-N 1 1 181.323 3.049 10 0 AGAEMO C[N@@H+](C1CC1)[C@H]1CCCC(C)(C)C1 306760001 345596055 /nfs/dbraw/zinc/59/60/55/345596055.db2.gz XILWGUCHOMSYET-NSHDSACASA-N 1 1 181.323 3.049 10 0 AGAEMO CC(C)[C@@H](C)[N@@H+](C)[C@H]1C=CCCC1 306784372 345611785 /nfs/dbraw/zinc/61/17/85/345611785.db2.gz HSUNCALSOXBRHI-NEPJUHHUSA-N 1 1 181.323 3.071 10 0 AGAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1C=CCCC1 306784373 345611841 /nfs/dbraw/zinc/61/18/41/345611841.db2.gz HSUNCALSOXBRHI-NWDGAFQWSA-N 1 1 181.323 3.071 10 0 AGAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1C=CCCC1 306784375 345612052 /nfs/dbraw/zinc/61/20/52/345612052.db2.gz HSUNCALSOXBRHI-VXGBXAGGSA-N 1 1 181.323 3.071 10 0 AGAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1C=CCCC1 306784374 345612058 /nfs/dbraw/zinc/61/20/58/345612058.db2.gz HSUNCALSOXBRHI-RYUDHWBXSA-N 1 1 181.323 3.071 10 0 AGAEMO CC[C@H]1CC[N@H+]1[C@@H]1CCCC1(C)C 306797661 345621350 /nfs/dbraw/zinc/62/13/50/345621350.db2.gz YSKKQOOVADLYNO-WDEREUQCSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@H]1CC[N@H+]1[C@H]1CCCC1(C)C 306797660 345621387 /nfs/dbraw/zinc/62/13/87/345621387.db2.gz YSKKQOOVADLYNO-QWRGUYRKSA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@@H]1CC[N@H+]1[C@H]1CCCC1(C)C 306797659 345621510 /nfs/dbraw/zinc/62/15/10/345621510.db2.gz YSKKQOOVADLYNO-MNOVXSKESA-N 1 1 181.323 3.049 10 0 AGAEMO CC[C@@H]1CC[N@H+]1[C@@H]1CCCC1(C)C 306797576 345621658 /nfs/dbraw/zinc/62/16/58/345621658.db2.gz YSKKQOOVADLYNO-GHMZBOCLSA-N 1 1 181.323 3.049 10 0 AGAEMO CC(C)[N@H+]1C[C@@H]2CCCCCC[C@H]21 306824717 345639425 /nfs/dbraw/zinc/63/94/25/345639425.db2.gz UWWZHNMLKSXZKW-NWDGAFQWSA-N 1 1 181.323 3.049 10 0 AGAEMO CC(C)[N@H+]1C[C@H]2CCCCCC[C@H]21 306824719 345639355 /nfs/dbraw/zinc/63/93/55/345639355.db2.gz UWWZHNMLKSXZKW-VXGBXAGGSA-N 1 1 181.323 3.049 10 0 AGAEMO CC(C)[N@H+]1C[C@H]2CCCCCC[C@@H]21 306824716 345639444 /nfs/dbraw/zinc/63/94/44/345639444.db2.gz UWWZHNMLKSXZKW-NEPJUHHUSA-N 1 1 181.323 3.049 10 0 AGAEMO CC(C)[N@H+]1C[C@@H]2CCCCCC[C@@H]21 306824718 345639513 /nfs/dbraw/zinc/63/95/13/345639513.db2.gz UWWZHNMLKSXZKW-RYUDHWBXSA-N 1 1 181.323 3.049 10 0 AGAEMO CC1CCC([N@H+]2CCC2(C)C)CC1 306824778 345639573 /nfs/dbraw/zinc/63/95/73/345639573.db2.gz VIAFIVLZXLFXAN-UHFFFAOYSA-N 1 1 181.323 3.049 10 0 AGAEMO CC(C)[C@@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 306826027 345640652 /nfs/dbraw/zinc/64/06/52/345640652.db2.gz YRLHOYUPEFHUDU-GRYCIOLGSA-N 1 1 183.339 3.009 10 0 AGAEMO CC(C)[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 306826029 345640905 /nfs/dbraw/zinc/64/09/05/345640905.db2.gz YRLHOYUPEFHUDU-TUAOUCFPSA-N 1 1 183.339 3.009 10 0 AGAEMO CC(C)[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 306840586 345649673 /nfs/dbraw/zinc/64/96/73/345649673.db2.gz ZWZMVJUGQUVGGY-GRYCIOLGSA-N 1 1 181.323 3.048 10 0 AGAEMO CC(C)[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 306840587 345649739 /nfs/dbraw/zinc/64/97/39/345649739.db2.gz ZWZMVJUGQUVGGY-IJLUTSLNSA-N 1 1 181.323 3.048 10 0 AGAEMO CC[N@H+]1CCCC[C@@H]2CCCC[C@@H]21 306925491 345701629 /nfs/dbraw/zinc/70/16/29/345701629.db2.gz MJPXDIGHGNNQJP-RYUDHWBXSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[N@H+]1CCCC[C@H]2CCCC[C@H]21 306925492 345701895 /nfs/dbraw/zinc/70/18/95/345701895.db2.gz MJPXDIGHGNNQJP-VXGBXAGGSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[N@H+]1CCCC[C@@H]2CCCC[C@H]21 306925490 345701902 /nfs/dbraw/zinc/70/19/02/345701902.db2.gz MJPXDIGHGNNQJP-NWDGAFQWSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[N@H+]1CCCC[C@H]2CCCC[C@@H]21 306925489 345701936 /nfs/dbraw/zinc/70/19/36/345701936.db2.gz MJPXDIGHGNNQJP-NEPJUHHUSA-N 1 1 181.323 3.051 10 0 AGAEMO Cc1[nH+]ccn1CCC1=CCCCC1 306930559 345704530 /nfs/dbraw/zinc/70/45/30/345704530.db2.gz DCLRBHQSZIFQTP-UHFFFAOYSA-N 1 1 190.290 3.082 10 0 AGAEMO C[N@@H+](CC(C)(C)C)[C@@H]1C=CCCC1 306932961 345705966 /nfs/dbraw/zinc/70/59/66/345705966.db2.gz CNOAGJFUSWTCKV-LLVKDONJSA-N 1 1 181.323 3.073 10 0 AGAEMO C[N@@H+](CC(C)(C)C)[C@H]1C=CCCC1 306932962 345706049 /nfs/dbraw/zinc/70/60/49/345706049.db2.gz CNOAGJFUSWTCKV-NSHDSACASA-N 1 1 181.323 3.073 10 0 AGAEMO Cc1ccc(C[N@H+]2CCC2(C)C)s1 307011413 345751205 /nfs/dbraw/zinc/75/12/05/345751205.db2.gz JWLBLHAOHBPJJI-UHFFFAOYSA-N 1 1 195.331 3.041 10 0 AGAEMO C[C@H]1C[C@@H](C)[N@H+]1CCC1CCCC1 307017685 345755635 /nfs/dbraw/zinc/75/56/35/345755635.db2.gz QBTSIHSKBCLIMD-PHIMTYICSA-N 1 1 181.323 3.049 10 0 AGAEMO c1csc([C@H]2CCC[N@@H+]2C2CC2)c1 307020238 345758071 /nfs/dbraw/zinc/75/80/71/345758071.db2.gz SVHXQSKZLRSHNJ-SNVBAGLBSA-N 1 1 193.315 3.047 10 0 AGAEMO c1csc([C@@H]2CCC[N@@H+]2C2CC2)c1 307020237 345758140 /nfs/dbraw/zinc/75/81/40/345758140.db2.gz SVHXQSKZLRSHNJ-JTQLQIEISA-N 1 1 193.315 3.047 10 0 AGAEMO CC(C)=CC[N@H+]1C[C@@H](C)CC[C@H]1C 307052818 345780500 /nfs/dbraw/zinc/78/05/00/345780500.db2.gz KAPRGQCDKXCYSN-NWDGAFQWSA-N 1 1 181.323 3.073 10 0 AGAEMO CC(C)=CC[N@H+]1C[C@@H](C)CC[C@@H]1C 307052820 345780547 /nfs/dbraw/zinc/78/05/47/345780547.db2.gz KAPRGQCDKXCYSN-RYUDHWBXSA-N 1 1 181.323 3.073 10 0 AGAEMO CC(C)=CC[N@H+]1C[C@H](C)CC[C@@H]1C 307052816 345780737 /nfs/dbraw/zinc/78/07/37/345780737.db2.gz KAPRGQCDKXCYSN-NEPJUHHUSA-N 1 1 181.323 3.073 10 0 AGAEMO CC(C)=CC[N@H+]1C[C@H](C)CC[C@H]1C 307052822 345780754 /nfs/dbraw/zinc/78/07/54/345780754.db2.gz KAPRGQCDKXCYSN-VXGBXAGGSA-N 1 1 181.323 3.073 10 0 AGAEMO CCC(CC)Nc1c(C)cc[nH+]c1C 307267996 345936642 /nfs/dbraw/zinc/93/66/42/345936642.db2.gz JSFNRSBRVYNXLE-UHFFFAOYSA-N 1 1 192.306 3.299 10 0 AGAEMO CCC1(Nc2cc[nH+]cc2Cl)CC1 307316419 345966515 /nfs/dbraw/zinc/96/65/15/345966515.db2.gz AXGOGFIOZXQVCH-UHFFFAOYSA-N 1 1 196.681 3.090 10 0 AGAEMO CC[N@H+]1CCCCC[C@@H]1CC(C)C 307377065 346004151 /nfs/dbraw/zinc/00/41/51/346004151.db2.gz BUIODMIBZIJAHM-GFCCVEGCSA-N 1 1 183.339 3.297 10 0 AGAEMO CC[N@H+]1CCCCC[C@H]1CC(C)C 307377068 346004317 /nfs/dbraw/zinc/00/43/17/346004317.db2.gz BUIODMIBZIJAHM-LBPRGKRZSA-N 1 1 183.339 3.297 10 0 AGAEMO CCNc1cc[nH+]c2c(C)csc12 307428645 346035061 /nfs/dbraw/zinc/03/50/61/346035061.db2.gz ULLXSJMYHVNZBF-UHFFFAOYSA-N 1 1 192.287 3.037 10 0 AGAEMO CC[C@H]1CCC[N@H+]([C@H](C)C(C)C)C1 307515150 346085066 /nfs/dbraw/zinc/08/50/66/346085066.db2.gz DNYCIZAYFPIIOH-NEPJUHHUSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H]1CCC[N@H+]([C@H](C)C(C)C)C1 307515156 346085176 /nfs/dbraw/zinc/08/51/76/346085176.db2.gz DNYCIZAYFPIIOH-VXGBXAGGSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC(C)(C)C[N@H+]1CCC=C(C)C1 307537255 346098717 /nfs/dbraw/zinc/09/87/17/346098717.db2.gz ONEBJLOHGMYGHG-UHFFFAOYSA-N 1 1 181.323 3.075 10 0 AGAEMO CC(C)=CC[N@@H+]1CCCCC[C@H]1C 307574067 346121967 /nfs/dbraw/zinc/12/19/67/346121967.db2.gz GQVDKFAIOYMKPG-GFCCVEGCSA-N 1 1 181.323 3.217 10 0 AGAEMO CC(C)=CC[N@@H+]1CCCCC[C@@H]1C 307574068 346122202 /nfs/dbraw/zinc/12/22/02/346122202.db2.gz GQVDKFAIOYMKPG-LBPRGKRZSA-N 1 1 181.323 3.217 10 0 AGAEMO C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1CC[C@@H](C)C1 307642259 346163783 /nfs/dbraw/zinc/16/37/83/346163783.db2.gz JMXKYJATHKAQDC-WYUUTHIRSA-N 1 1 181.323 3.048 10 0 AGAEMO C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CC[C@@H](C)C1 307642258 346163798 /nfs/dbraw/zinc/16/37/98/346163798.db2.gz JMXKYJATHKAQDC-WISYIIOYSA-N 1 1 181.323 3.048 10 0 AGAEMO CCCCC[N@@H+](CCC)C1CC1 307941418 346238402 /nfs/dbraw/zinc/23/84/02/346238402.db2.gz COQKNCHAHZBRFS-UHFFFAOYSA-N 1 1 169.312 3.051 10 0 AGAEMO CCC[N@@H+](C)CCC(C)(C)CC 307984871 346247854 /nfs/dbraw/zinc/24/78/54/346247854.db2.gz QTNHQVHGKYKTOX-UHFFFAOYSA-N 1 1 171.328 3.155 10 0 AGAEMO CCCCC[N@H+]1CCCC1(C)C 307984809 346247858 /nfs/dbraw/zinc/24/78/58/346247858.db2.gz QRQJGBNIPRNQQY-UHFFFAOYSA-N 1 1 169.312 3.051 10 0 AGAEMO CC[C@@H](C)C[N@@H+](C)[C@H]1C=CCCC1 308136502 346258770 /nfs/dbraw/zinc/25/87/70/346258770.db2.gz AALHSKWDWDWJNX-NEPJUHHUSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1C=CCCC1 308136503 346258786 /nfs/dbraw/zinc/25/87/86/346258786.db2.gz AALHSKWDWDWJNX-NWDGAFQWSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[C@H](C)C[N@@H+](C)[C@H]1C=CCCC1 308136504 346258796 /nfs/dbraw/zinc/25/87/96/346258796.db2.gz AALHSKWDWDWJNX-RYUDHWBXSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[C@@H](C)C[N@@H+](C)[C@@H]1C=CCCC1 308136505 346258904 /nfs/dbraw/zinc/25/89/04/346258904.db2.gz AALHSKWDWDWJNX-VXGBXAGGSA-N 1 1 181.323 3.073 10 0 AGAEMO CCCCC[N@H+](CCC)CC(F)F 308173280 346266649 /nfs/dbraw/zinc/26/66/49/346266649.db2.gz CEFPVQLZRLAMJM-UHFFFAOYSA-N 1 1 193.281 3.154 10 0 AGAEMO CCCCC[N@@H+](CCC)CC(F)F 308173280 346266650 /nfs/dbraw/zinc/26/66/50/346266650.db2.gz CEFPVQLZRLAMJM-UHFFFAOYSA-N 1 1 193.281 3.154 10 0 AGAEMO CCCCC[N@H+]1CCC[C@H](C)CC1 308237183 346273582 /nfs/dbraw/zinc/27/35/82/346273582.db2.gz RFIRENGQIOQYMM-LBPRGKRZSA-N 1 1 183.339 3.299 10 0 AGAEMO CCCCC[N@H+]1CCC[C@@H](C)CC1 308237181 346273588 /nfs/dbraw/zinc/27/35/88/346273588.db2.gz RFIRENGQIOQYMM-GFCCVEGCSA-N 1 1 183.339 3.299 10 0 AGAEMO CCC(C)(C)CC[N@@H+](C)CC1CC1 308289089 346282938 /nfs/dbraw/zinc/28/29/38/346282938.db2.gz GAEPEAOKNUYJEX-UHFFFAOYSA-N 1 1 183.339 3.155 10 0 AGAEMO CC[N@@H+](CC(C)C)[C@@H]1C=CCCC1 308324048 346289128 /nfs/dbraw/zinc/28/91/28/346289128.db2.gz DFTSSKCZWRBEGF-GFCCVEGCSA-N 1 1 181.323 3.073 10 0 AGAEMO CC[N@@H+](CC(C)C)[C@H]1C=CCCC1 308324049 346289161 /nfs/dbraw/zinc/28/91/61/346289161.db2.gz DFTSSKCZWRBEGF-LBPRGKRZSA-N 1 1 181.323 3.073 10 0 AGAEMO CCCC[N@@H+](CC)[C@H]1C=CCCC1 308328703 346289771 /nfs/dbraw/zinc/28/97/71/346289771.db2.gz HMFIKGZCCVLUPT-LBPRGKRZSA-N 1 1 181.323 3.217 10 0 AGAEMO CCCC[N@@H+](CC)[C@@H]1C=CCCC1 308328701 346289819 /nfs/dbraw/zinc/28/98/19/346289819.db2.gz HMFIKGZCCVLUPT-GFCCVEGCSA-N 1 1 181.323 3.217 10 0 AGAEMO CCCC[N@H+]1CCCCC[C@@H]1CC 308490603 346307383 /nfs/dbraw/zinc/30/73/83/346307383.db2.gz RBHZDKFFTSTXBR-LBPRGKRZSA-N 1 1 183.339 3.441 10 0 AGAEMO CCCC[N@H+]1CCCCC[C@H]1CC 308490602 346307490 /nfs/dbraw/zinc/30/74/90/346307490.db2.gz RBHZDKFFTSTXBR-GFCCVEGCSA-N 1 1 183.339 3.441 10 0 AGAEMO CCCCC[N@H+]1C[C@H](C)CC[C@H]1C 308495504 346308158 /nfs/dbraw/zinc/30/81/58/346308158.db2.gz TXPHXVUDTIMDER-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@H+]1C[C@@H](C)CC[C@@H]1C 308495503 346308224 /nfs/dbraw/zinc/30/82/24/346308224.db2.gz TXPHXVUDTIMDER-RYUDHWBXSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@H+]1C[C@@H](C)CC[C@H]1C 308495502 346308396 /nfs/dbraw/zinc/30/83/96/346308396.db2.gz TXPHXVUDTIMDER-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@H+]1C[C@H](C)CC[C@@H]1C 308495501 346308461 /nfs/dbraw/zinc/30/84/61/346308461.db2.gz TXPHXVUDTIMDER-NEPJUHHUSA-N 1 1 183.339 3.297 10 0 AGAEMO Cc1[nH+]cn(CC2=CCCCC2)c1C 336202720 346445176 /nfs/dbraw/zinc/44/51/76/346445176.db2.gz JUSMHCFRJSNLFZ-UHFFFAOYSA-N 1 1 190.290 3.000 10 0 AGAEMO CCCCC[N@@H+](C)C(C)(C)CC 379312917 346492656 /nfs/dbraw/zinc/49/26/56/346492656.db2.gz CQLXLKWVXOARSL-UHFFFAOYSA-N 1 1 171.328 3.297 10 0 AGAEMO CCCCC[N@H+]1CCC[C@@H]1CC 379331318 346499754 /nfs/dbraw/zinc/49/97/54/346499754.db2.gz DGFLOHVYPMCWKT-NSHDSACASA-N 1 1 169.312 3.051 10 0 AGAEMO CCCCC[N@H+]1CCC[C@H]1CC 379331316 346500145 /nfs/dbraw/zinc/50/01/45/346500145.db2.gz DGFLOHVYPMCWKT-LLVKDONJSA-N 1 1 169.312 3.051 10 0 AGAEMO CC(C)[N@@H+](CC1CCC1)C1CCC1 379381188 346510797 /nfs/dbraw/zinc/51/07/97/346510797.db2.gz CUHOHJYHONHZCA-UHFFFAOYSA-N 1 1 181.323 3.049 10 0 AGAEMO CCCCC[N@H+]1CCC[C@@H](C)[C@H]1C 388262413 346549262 /nfs/dbraw/zinc/54/92/62/346549262.db2.gz DLTGQCHGYXYZOX-VXGBXAGGSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@H+]1CCC[C@H](C)[C@H]1C 388262411 346549329 /nfs/dbraw/zinc/54/93/29/346549329.db2.gz DLTGQCHGYXYZOX-NWDGAFQWSA-N 1 1 183.339 3.297 10 0 AGAEMO CCCCC[N@@H+](C)CC1CCCC1 388331140 346550382 /nfs/dbraw/zinc/55/03/82/346550382.db2.gz FFXYVDXBPSGVGB-UHFFFAOYSA-N 1 1 183.339 3.299 10 0 AGAEMO CCC(C)(C)[N@@H+](C)CC=C(C)C 393346284 346576096 /nfs/dbraw/zinc/57/60/96/346576096.db2.gz CJAZPRLIKKUJFS-UHFFFAOYSA-N 1 1 169.312 3.073 10 0 AGAEMO CC[C@H](C[NH+]1CC1)[C@@H]1CCC[C@H](C)C1 584591845 346719291 /nfs/dbraw/zinc/71/92/91/346719291.db2.gz VNTVUPRCIQKOKB-YNEHKIRRSA-N 1 1 195.350 3.155 10 0 AGAEMO CC[C@H](C[NH+]1CC1)[C@H]1CCC[C@H](C)C1 584591844 346719381 /nfs/dbraw/zinc/71/93/81/346719381.db2.gz VNTVUPRCIQKOKB-XQQFMLRXSA-N 1 1 195.350 3.155 10 0 AGAEMO CC[C@H](C[NH+]1CC1)[C@@H]1CCC[C@@H](C)C1 584591842 346719401 /nfs/dbraw/zinc/71/94/01/346719401.db2.gz VNTVUPRCIQKOKB-JHJVBQTASA-N 1 1 195.350 3.155 10 0 AGAEMO CC[C@H](C[NH+]1CC1)[C@H]1CCC[C@@H](C)C1 584591843 346719420 /nfs/dbraw/zinc/71/94/20/346719420.db2.gz VNTVUPRCIQKOKB-UPJWGTAASA-N 1 1 195.350 3.155 10 0 AGAEMO C[C@H]1CCC(c2ccc(Cl)cc2)=[NH+]1 584610679 346727149 /nfs/dbraw/zinc/72/71/49/346727149.db2.gz BOVZVOMACYQHOI-QMMMGPOBSA-N 1 1 193.677 3.311 10 0 AGAEMO CCCC[N@H+]1CCC2(CCCCC2)C1 584624944 346732342 /nfs/dbraw/zinc/73/23/42/346732342.db2.gz QRIVGZYWTCXDFH-UHFFFAOYSA-N 1 1 195.350 3.443 10 0 AGAEMO CC(C)=C[N@H+](C)C1CCCCC1 584657344 346743955 /nfs/dbraw/zinc/74/39/55/346743955.db2.gz GCJHVIHYTFYGIE-UHFFFAOYSA-N 1 1 167.296 3.175 10 0 AGAEMO CC1(C)CCC[N@H+]1CC1CCCCC1 590605842 346784573 /nfs/dbraw/zinc/78/45/73/346784573.db2.gz RDIJUAXZDLVMSL-UHFFFAOYSA-N 1 1 195.350 3.441 10 0 AGAEMO CC(C)=CC[N@H+]1CCC[C@H]1C(C)(C)C 591378091 346813220 /nfs/dbraw/zinc/81/32/20/346813220.db2.gz DOTDLVHJFYFUHO-LBPRGKRZSA-N 1 1 195.350 3.463 10 0 AGAEMO CC(C)=CC[N@H+]1CCC[C@@H]1C(C)(C)C 591378090 346813325 /nfs/dbraw/zinc/81/33/25/346813325.db2.gz DOTDLVHJFYFUHO-GFCCVEGCSA-N 1 1 195.350 3.463 10 0 AGAEMO C[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)CC1 595563983 346860245 /nfs/dbraw/zinc/86/02/45/346860245.db2.gz CKTLLBCIPGJEFQ-OLZOCXBDSA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)[N@@H+](CC1CC1)[C@H]1C=CCCC1 595563712 346860387 /nfs/dbraw/zinc/86/03/87/346860387.db2.gz HTNIJHDKHQAKOO-ZDUSSCGKSA-N 1 1 193.334 3.216 10 0 AGAEMO CC(C)C[N@@H+](C1CC1)[C@H]1C=CCCC1 595553350 346860576 /nfs/dbraw/zinc/86/05/76/346860576.db2.gz GURDKTJFBZVPKM-LBPRGKRZSA-N 1 1 193.334 3.216 10 0 AGAEMO C[C@H]1CCC[N@H+]([C@H]2C=CCCC2)CC1 595563990 346860621 /nfs/dbraw/zinc/86/06/21/346860621.db2.gz CKTLLBCIPGJEFQ-STQMWFEESA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)C[N@@H+](C1CC1)[C@@H]1C=CCCC1 595553349 346860665 /nfs/dbraw/zinc/86/06/65/346860665.db2.gz GURDKTJFBZVPKM-GFCCVEGCSA-N 1 1 193.334 3.216 10 0 AGAEMO C[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)CC1 595563979 346860677 /nfs/dbraw/zinc/86/06/77/346860677.db2.gz CKTLLBCIPGJEFQ-CHWSQXEVSA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)[N@@H+](CC1CC1)[C@@H]1C=CCCC1 595563711 346860723 /nfs/dbraw/zinc/86/07/23/346860723.db2.gz HTNIJHDKHQAKOO-CYBMUJFWSA-N 1 1 193.334 3.216 10 0 AGAEMO C[C@H]1CCC[N@H+]([C@@H]2C=CCCC2)CC1 595563987 346860763 /nfs/dbraw/zinc/86/07/63/346860763.db2.gz CKTLLBCIPGJEFQ-QWHCGFSZSA-N 1 1 193.334 3.217 10 0 AGAEMO CCSCc1c(C)cc(C)[nH+]c1C 601048917 346919982 /nfs/dbraw/zinc/91/99/82/346919982.db2.gz MUZGJWGNTOUSJB-UHFFFAOYSA-N 1 1 195.331 3.260 10 0 AGAEMO CC[N@H+]([C@@H]1C=CCCC1)[C@H](C)C(C)C 603555311 346956631 /nfs/dbraw/zinc/95/66/31/346956631.db2.gz GPYSFCIOCXBXHU-CHWSQXEVSA-N 1 1 195.350 3.462 10 0 AGAEMO CC[N@H+]([C@H]1C=CCCC1)[C@H](C)C(C)C 603555312 346956758 /nfs/dbraw/zinc/95/67/58/346956758.db2.gz GPYSFCIOCXBXHU-OLZOCXBDSA-N 1 1 195.350 3.462 10 0 AGAEMO CC[N@@H+]([C@@H](C)C(C)C)[C@H]1C=CCCC1 603555314 346956904 /nfs/dbraw/zinc/95/69/04/346956904.db2.gz GPYSFCIOCXBXHU-STQMWFEESA-N 1 1 195.350 3.462 10 0 AGAEMO CC[N@H+]([C@@H]1C=CCCC1)[C@@H](C)C(C)C 603555313 346957009 /nfs/dbraw/zinc/95/70/09/346957009.db2.gz GPYSFCIOCXBXHU-QWHCGFSZSA-N 1 1 195.350 3.462 10 0 AGAEMO C[C@H]1CCCCC[N@H+]1[C@@H]1C=CCCC1 603942389 346959837 /nfs/dbraw/zinc/95/98/37/346959837.db2.gz PGCSOKPWMMXHPR-QWHCGFSZSA-N 1 1 193.334 3.360 10 0 AGAEMO C[C@@H]1CCCCC[N@H+]1[C@H]1C=CCCC1 603942388 346959851 /nfs/dbraw/zinc/95/98/51/346959851.db2.gz PGCSOKPWMMXHPR-OLZOCXBDSA-N 1 1 193.334 3.360 10 0 AGAEMO C[C@H]1CCCCC[N@H+]1[C@H]1C=CCCC1 603942390 346959984 /nfs/dbraw/zinc/95/99/84/346959984.db2.gz PGCSOKPWMMXHPR-STQMWFEESA-N 1 1 193.334 3.360 10 0 AGAEMO CC(C)[N@H+]1CCC[C@@]2(CC=CCC2)C1 603941958 346959994 /nfs/dbraw/zinc/95/99/94/346959994.db2.gz KWLFRZVJHJCDIX-ZDUSSCGKSA-N 1 1 193.334 3.217 10 0 AGAEMO CCC[N@H+]1CCC[C@]2(CC=CCC2)C1 603942776 346960161 /nfs/dbraw/zinc/96/01/61/346960161.db2.gz HYRLUGRJMXBQII-CYBMUJFWSA-N 1 1 193.334 3.219 10 0 AGAEMO CC(C)[N@H+]1CCC[C@]2(CC=CCC2)C1 603941952 346960379 /nfs/dbraw/zinc/96/03/79/346960379.db2.gz KWLFRZVJHJCDIX-CYBMUJFWSA-N 1 1 193.334 3.217 10 0 AGAEMO C[C@H]1CCCCC[N@H+]1CC1CCCC1 603943880 346960402 /nfs/dbraw/zinc/96/04/02/346960402.db2.gz YDNUINNGBLIHOZ-LBPRGKRZSA-N 1 1 195.350 3.441 10 0 AGAEMO CCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 603942777 346960551 /nfs/dbraw/zinc/96/05/51/346960551.db2.gz HYRLUGRJMXBQII-ZDUSSCGKSA-N 1 1 193.334 3.219 10 0 AGAEMO C[C@@H]1CCCCC[N@H+]1[C@@H]1C=CCCC1 603942387 346960610 /nfs/dbraw/zinc/96/06/10/346960610.db2.gz PGCSOKPWMMXHPR-CHWSQXEVSA-N 1 1 193.334 3.360 10 0 AGAEMO C[C@@H]1CCCCC[N@H+]1CC1CCCC1 603943879 346960727 /nfs/dbraw/zinc/96/07/27/346960727.db2.gz YDNUINNGBLIHOZ-GFCCVEGCSA-N 1 1 195.350 3.441 10 0 AGAEMO CC[C@H]1CCC[N@@H+](CC=C(C)C)CC1 604998817 346967537 /nfs/dbraw/zinc/96/75/37/346967537.db2.gz DXFCZROBUZBZKH-ZDUSSCGKSA-N 1 1 195.350 3.465 10 0 AGAEMO CC[C@@H]1CCC[N@@H+](CC=C(C)C)CC1 604998816 346967629 /nfs/dbraw/zinc/96/76/29/346967629.db2.gz DXFCZROBUZBZKH-CYBMUJFWSA-N 1 1 195.350 3.465 10 0 AGAEMO CCCCC[N@@H+](C)Cc1ccoc1C 605150011 346968389 /nfs/dbraw/zinc/96/83/89/346968389.db2.gz DSNSPJJKLIZZSL-UHFFFAOYSA-N 1 1 195.306 3.210 10 0 AGAEMO CCCCC[N@H+]1CCC[C@@H]1C1CCC1 605150442 346968988 /nfs/dbraw/zinc/96/89/88/346968988.db2.gz GTSICZZKMCZOKP-CYBMUJFWSA-N 1 1 195.350 3.441 10 0 AGAEMO CCCCC[N@H+]1CCC[C@H]1C1CCC1 605150443 346969143 /nfs/dbraw/zinc/96/91/43/346969143.db2.gz GTSICZZKMCZOKP-ZDUSSCGKSA-N 1 1 195.350 3.441 10 0 AGAEMO CC[N@@H+](Cc1ccccc1)C1CCC1 606434510 346982630 /nfs/dbraw/zinc/98/26/30/346982630.db2.gz IYVZBFUOBIDHGI-UHFFFAOYSA-N 1 1 189.302 3.061 10 0 AGAEMO CC[C@@H]1CCCCC[N@H+]1CC(C)C 606900465 346985965 /nfs/dbraw/zinc/98/59/65/346985965.db2.gz CPGLIJPTEQOKTK-GFCCVEGCSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[N@H+]1CCCCC[C@H]1CC 606901018 346986040 /nfs/dbraw/zinc/98/60/40/346986040.db2.gz SKYCUZKKWAKEAM-LLVKDONJSA-N 1 1 169.312 3.051 10 0 AGAEMO CCC[N@H+]1CCCCC[C@@H]1CC 606901019 346986129 /nfs/dbraw/zinc/98/61/29/346986129.db2.gz SKYCUZKKWAKEAM-NSHDSACASA-N 1 1 169.312 3.051 10 0 AGAEMO CC[C@H]1CCCCC[N@H+]1CC(C)C 606900466 346986548 /nfs/dbraw/zinc/98/65/48/346986548.db2.gz CPGLIJPTEQOKTK-LBPRGKRZSA-N 1 1 183.339 3.297 10 0 AGAEMO CC1(C)CCC[N@H+]1CCC1CCCC1 607729114 346993543 /nfs/dbraw/zinc/99/35/43/346993543.db2.gz GZINESWTEBZICN-UHFFFAOYSA-N 1 1 195.350 3.441 10 0 AGAEMO CC(C)=CC[N@H+]1C[C@H](C)CCC[C@H]1C 607742464 346995306 /nfs/dbraw/zinc/99/53/06/346995306.db2.gz DWAQJCPQKCORDH-CHWSQXEVSA-N 1 1 195.350 3.463 10 0 AGAEMO CC(C)=CC[N@H+]1C[C@H](C)CCC[C@@H]1C 607742465 346995276 /nfs/dbraw/zinc/99/52/76/346995276.db2.gz DWAQJCPQKCORDH-OLZOCXBDSA-N 1 1 195.350 3.463 10 0 AGAEMO CC(C)=CC[N@H+]1C[C@@H](C)CCC[C@@H]1C 607742467 346995291 /nfs/dbraw/zinc/99/52/91/346995291.db2.gz DWAQJCPQKCORDH-STQMWFEESA-N 1 1 195.350 3.463 10 0 AGAEMO CC(C)=CC[N@H+]1C[C@@H](C)CCC[C@H]1C 607742466 346995685 /nfs/dbraw/zinc/99/56/85/346995685.db2.gz DWAQJCPQKCORDH-QWHCGFSZSA-N 1 1 195.350 3.463 10 0 AGAEMO CC(C)C[N@H+]1CCC2(CCCCC2)C1 607752503 346996376 /nfs/dbraw/zinc/99/63/76/346996376.db2.gz IPCTYJUAPCCQKQ-UHFFFAOYSA-N 1 1 195.350 3.299 10 0 AGAEMO CC(C)=CC[N@H+]1CCCC(C)(C)CC1 607748468 346996410 /nfs/dbraw/zinc/99/64/10/346996410.db2.gz CYGPDJSIRQGFCO-UHFFFAOYSA-N 1 1 195.350 3.465 10 0 AGAEMO CCC[N@H+]1CCC2(CCCCC2)C1 607752712 346996742 /nfs/dbraw/zinc/99/67/42/346996742.db2.gz OCZREOMGSVOHNY-UHFFFAOYSA-N 1 1 181.323 3.053 10 0 AGAEMO C[C@@H]1CCCCC[N@H+]1CCC1CC1 608497419 347005990 /nfs/dbraw/zinc/00/59/90/347005990.db2.gz OFMKCFRQOAEYNI-LLVKDONJSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[C@@H]1CCCCC[N@H+]1CCC1CC1 608497645 347006222 /nfs/dbraw/zinc/00/62/22/347006222.db2.gz PGEMLPRPMDZMKF-CYBMUJFWSA-N 1 1 195.350 3.441 10 0 AGAEMO CC[C@H]1CCCCC[N@H+]1CCC1CC1 608497646 347006452 /nfs/dbraw/zinc/00/64/52/347006452.db2.gz PGEMLPRPMDZMKF-ZDUSSCGKSA-N 1 1 195.350 3.441 10 0 AGAEMO CC(C)=CC[N@H+]1CCC[C@@H]2CCC[C@H]21 608498438 347008056 /nfs/dbraw/zinc/00/80/56/347008056.db2.gz DXHAYRQRUNFKTD-QWHCGFSZSA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)=CC[N@H+]1CCC[C@H]2CCC[C@@H]21 608498437 347008174 /nfs/dbraw/zinc/00/81/74/347008174.db2.gz DXHAYRQRUNFKTD-OLZOCXBDSA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)=CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 608498439 347008284 /nfs/dbraw/zinc/00/82/84/347008284.db2.gz DXHAYRQRUNFKTD-STQMWFEESA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)=CC[N@H+]1CCC[C@H]2CCC[C@H]21 608498436 347008351 /nfs/dbraw/zinc/00/83/51/347008351.db2.gz DXHAYRQRUNFKTD-CHWSQXEVSA-N 1 1 193.334 3.217 10 0 AGAEMO CC[N@H+]1CCCC2(CCCCCC2)C1 608506808 347009809 /nfs/dbraw/zinc/00/98/09/347009809.db2.gz GOIXDMQQDSZCOD-UHFFFAOYSA-N 1 1 195.350 3.443 10 0 AGAEMO CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 608511273 347010371 /nfs/dbraw/zinc/01/03/71/347010371.db2.gz LJPZEVPMGQGNNE-MNOVXSKESA-N 1 1 193.290 3.073 10 0 AGAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CC1CCCC1 608511112 347010396 /nfs/dbraw/zinc/01/03/96/347010396.db2.gz LPJIADYETQJTPB-NEPJUHHUSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1C=CCCC1 608511097 347010402 /nfs/dbraw/zinc/01/04/02/347010402.db2.gz KGJONFVDTASYJU-FRRDWIJNSA-N 1 1 193.334 3.216 10 0 AGAEMO CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 608511272 347010414 /nfs/dbraw/zinc/01/04/14/347010414.db2.gz LJPZEVPMGQGNNE-GHMZBOCLSA-N 1 1 193.290 3.073 10 0 AGAEMO C[C@H]1CC[C@@H](C)C[N@H+]1[C@H]1C=CCCC1 608511096 347010425 /nfs/dbraw/zinc/01/04/25/347010425.db2.gz KGJONFVDTASYJU-AGIUHOORSA-N 1 1 193.334 3.216 10 0 AGAEMO C[C@H]1CC[C@H](C)[N@@H+](CC2CCCC2)C1 608511114 347010570 /nfs/dbraw/zinc/01/05/70/347010570.db2.gz LPJIADYETQJTPB-RYUDHWBXSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1CC[C@@H](C)[N@@H+](CC2CCCC2)C1 608511113 347010651 /nfs/dbraw/zinc/01/06/51/347010651.db2.gz LPJIADYETQJTPB-NWDGAFQWSA-N 1 1 195.350 3.297 10 0 AGAEMO CC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 608511274 347010680 /nfs/dbraw/zinc/01/06/80/347010680.db2.gz LJPZEVPMGQGNNE-QWRGUYRKSA-N 1 1 193.290 3.073 10 0 AGAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCC2)C1 608511115 347010747 /nfs/dbraw/zinc/01/07/47/347010747.db2.gz LPJIADYETQJTPB-VXGBXAGGSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@@H]1CC[C@@H](C)[N@H+]([C@H]2C=CCCC2)C1 608511099 347010784 /nfs/dbraw/zinc/01/07/84/347010784.db2.gz KGJONFVDTASYJU-UPJWGTAASA-N 1 1 193.334 3.216 10 0 AGAEMO CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 608511275 347010808 /nfs/dbraw/zinc/01/08/08/347010808.db2.gz LJPZEVPMGQGNNE-WDEREUQCSA-N 1 1 193.290 3.073 10 0 AGAEMO CC(C)[N@@H+](CCC1CC1)C1CCCC1 608561821 347011486 /nfs/dbraw/zinc/01/14/86/347011486.db2.gz AJBWUJVCGLVTAN-UHFFFAOYSA-N 1 1 195.350 3.440 10 0 AGAEMO CC(C)[N@@H+](CCC1CC1)C1CCC1 608564426 347011493 /nfs/dbraw/zinc/01/14/93/347011493.db2.gz IEBTZIMCZDUGNM-UHFFFAOYSA-N 1 1 181.323 3.049 10 0 AGAEMO CC(C)c1[nH+]ccn1[C@@H]1CCC[C@H]1F 616581432 347104608 /nfs/dbraw/zinc/10/46/08/347104608.db2.gz QMKLAXRIRWFBIK-NXEZZACHSA-N 1 1 196.269 3.070 10 0 AGAEMO CC[N@H+]1CCCC[C@H](C(C)(C)C)C1 616602120 347109144 /nfs/dbraw/zinc/10/91/44/347109144.db2.gz HAEXVLDCSLYPJY-NSHDSACASA-N 1 1 183.339 3.155 10 0 AGAEMO CC[C@H]1CCCC[N@H+](C(C)(C)C)C1 616604847 347110122 /nfs/dbraw/zinc/11/01/22/347110122.db2.gz QXPVOEMSEVSQHI-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@H]1CCCCC[N@H+]1C(C)(C)C 616605277 347110330 /nfs/dbraw/zinc/11/03/30/347110330.db2.gz JKUNYXMPDANYJX-NSHDSACASA-N 1 1 183.339 3.440 10 0 AGAEMO C[C@H]1CCCCC[N@H+]1C(C)(C)C 616605161 347110428 /nfs/dbraw/zinc/11/04/28/347110428.db2.gz HRTVBLAHICFONF-JTQLQIEISA-N 1 1 169.312 3.049 10 0 AGAEMO CC[N@H+]1CCCCC[C@@H]1C(C)(C)C 616606097 347110955 /nfs/dbraw/zinc/11/09/55/347110955.db2.gz YNLYYBKMESIXBK-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO C[C@@H]1CCCCC[N@H+]1C(C)(C)C 616620929 347127033 /nfs/dbraw/zinc/12/70/33/347127033.db2.gz HRTVBLAHICFONF-SNVBAGLBSA-N 1 1 169.312 3.049 10 0 AGAEMO CC[C@@H]1CCCCC[N@H+]1C(C)(C)C 616621001 347127322 /nfs/dbraw/zinc/12/73/22/347127322.db2.gz JKUNYXMPDANYJX-LLVKDONJSA-N 1 1 183.339 3.440 10 0 AGAEMO CC[N@H+]1CCCCC[C@H]1C(C)(C)C 616634626 347135416 /nfs/dbraw/zinc/13/54/16/347135416.db2.gz YNLYYBKMESIXBK-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CC[N@H+]1CCCC[C@@H](C(C)(C)C)C1 616653971 347154796 /nfs/dbraw/zinc/15/47/96/347154796.db2.gz HAEXVLDCSLYPJY-LLVKDONJSA-N 1 1 183.339 3.155 10 0 AGAEMO CC[C@@H]1CCCC[N@H+](C(C)(C)C)C1 616654880 347155427 /nfs/dbraw/zinc/15/54/27/347155427.db2.gz QXPVOEMSEVSQHI-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CC(C)[C@@H]1CCC[N@H+]1CC1CCCC1 620279041 347212486 /nfs/dbraw/zinc/21/24/86/347212486.db2.gz AREHNEMSZIDTRE-ZDUSSCGKSA-N 1 1 195.350 3.297 10 0 AGAEMO CC(C)[C@H]1CCC[N@H+]1CC1CCCC1 620279040 347212636 /nfs/dbraw/zinc/21/26/36/347212636.db2.gz AREHNEMSZIDTRE-CYBMUJFWSA-N 1 1 195.350 3.297 10 0 AGAEMO CC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C 621280632 347224605 /nfs/dbraw/zinc/22/46/05/347224605.db2.gz NHJHLNWCDFRLCP-LBPRGKRZSA-N 1 1 191.318 3.316 10 0 AGAEMO CC[N@@H+](C)[C@H](C)c1cc(C)ccc1C 621280631 347224674 /nfs/dbraw/zinc/22/46/74/347224674.db2.gz NHJHLNWCDFRLCP-GFCCVEGCSA-N 1 1 191.318 3.316 10 0 AGAEMO CCCC[N@H+]1Cc2ccccc2[C@@H]1C 621398113 347229571 /nfs/dbraw/zinc/22/95/71/347229571.db2.gz NVKCVYBYSSKMJD-NSHDSACASA-N 1 1 189.302 3.363 10 0 AGAEMO CCCc1ccc(C[N@@H+](C)CC)s1 621711088 347231126 /nfs/dbraw/zinc/23/11/26/347231126.db2.gz DQPGNTOUFLUNGU-UHFFFAOYSA-N 1 1 197.347 3.152 10 0 AGAEMO CCC[N@@H+](C)Cc1cc(C)cc(C)c1 621739050 347231524 /nfs/dbraw/zinc/23/15/24/347231524.db2.gz CAVAIIWKAMPXBP-UHFFFAOYSA-N 1 1 191.318 3.145 10 0 AGAEMO CCC[C@@H](C)CCCn1cc[nH+]c1C 625271455 347284377 /nfs/dbraw/zinc/28/43/77/347284377.db2.gz VCPIVULKZMTGAH-LLVKDONJSA-N 1 1 194.322 3.408 10 0 AGAEMO CCC[C@H](C)CCCn1cc[nH+]c1C 625271456 347284873 /nfs/dbraw/zinc/28/48/73/347284873.db2.gz VCPIVULKZMTGAH-NSHDSACASA-N 1 1 194.322 3.408 10 0 AGAEMO C[C@]12CCCC[C@H]1C[N@H+]2CCC1CC1 626103548 347297300 /nfs/dbraw/zinc/29/73/00/347297300.db2.gz FFYLBVGYXRRPOO-STQMWFEESA-N 1 1 193.334 3.051 10 0 AGAEMO C[C@]12CCCC[C@H]1C[N@H+]2CCCCF 626103843 347297857 /nfs/dbraw/zinc/29/78/57/347297857.db2.gz SPXRNYMIMPYMBY-RYUDHWBXSA-N 1 1 199.313 3.001 10 0 AGAEMO CCCC[N@H+]1C[C@@H]2CCCC[C@@]21C 626105043 347297836 /nfs/dbraw/zinc/29/78/36/347297836.db2.gz PWSIHOCJIMZGBZ-RYUDHWBXSA-N 1 1 181.323 3.051 10 0 AGAEMO CC(C)=CC[N@H+]1CCCC2(CC1)CC2 626113568 347297921 /nfs/dbraw/zinc/29/79/21/347297921.db2.gz XDYKLFDFMNNNME-UHFFFAOYSA-N 1 1 193.334 3.219 10 0 AGAEMO C1C[N@H+](CCC2CC2)CCC2(C1)CC2 626113701 347297939 /nfs/dbraw/zinc/29/79/39/347297939.db2.gz BXVIDFJVSOZVQY-UHFFFAOYSA-N 1 1 193.334 3.053 10 0 AGAEMO C[C@]12CCCC[C@H]1C[N@H+]2CC1CCC1 626103951 347298014 /nfs/dbraw/zinc/29/80/14/347298014.db2.gz YCGUWPONLYBGGO-STQMWFEESA-N 1 1 193.334 3.051 10 0 AGAEMO CC(C)=CC[N@H+]1C[C@@H]2CCCC[C@@]21C 626103706 347298022 /nfs/dbraw/zinc/29/80/22/347298022.db2.gz MJTNWTIYCVLBQV-STQMWFEESA-N 1 1 193.334 3.217 10 0 AGAEMO C1CC(C[N@H+]2CCCC3(CC2)CC3)C1 626114235 347298617 /nfs/dbraw/zinc/29/86/17/347298617.db2.gz YEMXOPCQWNQZBC-UHFFFAOYSA-N 1 1 193.334 3.053 10 0 AGAEMO C1CCC([N@H+]2CCCC3(CC2)CC3)C1 626114905 347298684 /nfs/dbraw/zinc/29/86/84/347298684.db2.gz YKASRKAIHQBGDT-UHFFFAOYSA-N 1 1 193.334 3.195 10 0 AGAEMO FCCCC[N@H+]1CCCC2(CC1)CC2 626115226 347298827 /nfs/dbraw/zinc/29/88/27/347298827.db2.gz LINUXWDGJWBSBQ-UHFFFAOYSA-N 1 1 199.313 3.002 10 0 AGAEMO CC[C@@H](C)[N@H+]1CCCC2(CC1)CC2 626115464 347299020 /nfs/dbraw/zinc/29/90/20/347299020.db2.gz UQUPHIWEHMRCRY-LLVKDONJSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[C@H](C)[N@H+]1CCCC2(CC1)CC2 626115465 347299120 /nfs/dbraw/zinc/29/91/20/347299120.db2.gz UQUPHIWEHMRCRY-NSHDSACASA-N 1 1 181.323 3.051 10 0 AGAEMO C/C=C/C[C@H]1CCC[N@H+](C(C)C)C1 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189.302 3.088 10 0 AGAEMO C[C@@H]1C[N@@H+](CCCC2CCCC2)[C@@H]1C 645218620 371953720 /nfs/dbraw/zinc/95/37/20/371953720.db2.gz QMGIBIDLFIAXDZ-VXGBXAGGSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1C[N@@H+](CCCC2CCCC2)[C@H]1C 645218619 371953726 /nfs/dbraw/zinc/95/37/26/371953726.db2.gz QMGIBIDLFIAXDZ-RYUDHWBXSA-N 1 1 195.350 3.297 10 0 AGAEMO CC1CCC(C[N@@H+]2C[C@@H](C)[C@@H]2C)CC1 645219301 371953800 /nfs/dbraw/zinc/95/38/00/371953800.db2.gz WFUQYLFNSMAIMF-QBHFIFKDSA-N 1 1 195.350 3.153 10 0 AGAEMO C[C@H]1C[N@@H+](CC2CCCCCC2)[C@H]1C 645217095 371953858 /nfs/dbraw/zinc/95/38/58/371953858.db2.gz VJVQDEBSLXLONE-RYUDHWBXSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1C[N@@H+](CCCC2CCCC2)[C@@H]1C 645218618 371954187 /nfs/dbraw/zinc/95/41/87/371954187.db2.gz QMGIBIDLFIAXDZ-NWDGAFQWSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1[C@H](C)C[N@H+]1CCCC1CCCC1 645218617 371954193 /nfs/dbraw/zinc/95/41/93/371954193.db2.gz QMGIBIDLFIAXDZ-NEPJUHHUSA-N 1 1 195.350 3.297 10 0 AGAEMO CC1CCC(C[N@@H+]2C[C@@H](C)[C@H]2C)CC1 645219302 371954241 /nfs/dbraw/zinc/95/42/41/371954241.db2.gz WFUQYLFNSMAIMF-QZQSVVMZSA-N 1 1 195.350 3.153 10 0 AGAEMO C[C@H]1[C@H](C)C[N@H+]1CC1CCCCCC1 645217092 371954371 /nfs/dbraw/zinc/95/43/71/371954371.db2.gz VJVQDEBSLXLONE-NEPJUHHUSA-N 1 1 195.350 3.297 10 0 AGAEMO CC1CCC(C[N@@H+]2C[C@H](C)[C@H]2C)CC1 645219300 371954409 /nfs/dbraw/zinc/95/44/09/371954409.db2.gz WFUQYLFNSMAIMF-CMOBGSAGSA-N 1 1 195.350 3.153 10 0 AGAEMO CC1CCC(C[N@@H+]2C[C@H](C)[C@@H]2C)CC1 645219303 371954449 /nfs/dbraw/zinc/95/44/49/371954449.db2.gz WFUQYLFNSMAIMF-ZFQMDJOTSA-N 1 1 195.350 3.153 10 0 AGAEMO C[C@@H]1C[N@@H+](CC2CCCCCC2)[C@@H]1C 645217096 371954513 /nfs/dbraw/zinc/95/45/13/371954513.db2.gz VJVQDEBSLXLONE-VXGBXAGGSA-N 1 1 195.350 3.297 10 0 AGAEMO C[C@H]1C[N@@H+](CC2CCCCCC2)[C@@H]1C 645217094 371954540 /nfs/dbraw/zinc/95/45/40/371954540.db2.gz VJVQDEBSLXLONE-NWDGAFQWSA-N 1 1 195.350 3.297 10 0 AGAEMO CCCC[N@@H+](CC)CC1=CCCC1 645767117 371963321 /nfs/dbraw/zinc/96/33/21/371963321.db2.gz BHUAMSYIWCOZLC-UHFFFAOYSA-N 1 1 181.323 3.219 10 0 AGAEMO C[N@@H+](CC1=CCCC1)C1CCCCC1 645772109 371963639 /nfs/dbraw/zinc/96/36/39/371963639.db2.gz ALQNZMQQFWQQNB-UHFFFAOYSA-N 1 1 193.334 3.361 10 0 AGAEMO CCC[N@H+](CC1=CCCC1)CC1CC1 645767173 371963812 /nfs/dbraw/zinc/96/38/12/371963812.db2.gz FCUVQRSXRLNPMZ-UHFFFAOYSA-N 1 1 193.334 3.219 10 0 AGAEMO CCC[C@@H](C)[N@@H+](C)CC1=CCCC1 645775401 371964771 /nfs/dbraw/zinc/96/47/71/371964771.db2.gz CRKHBPGFJFPTFL-LLVKDONJSA-N 1 1 181.323 3.217 10 0 AGAEMO CC(C)C[N@@H+](CC1=CCCC1)C1CC1 645775730 371964843 /nfs/dbraw/zinc/96/48/43/371964843.db2.gz DSAQCNRGKANQBE-UHFFFAOYSA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)[C@H]1CCC[N@H+]1CC1=CCCC1 645781134 371965611 /nfs/dbraw/zinc/96/56/11/371965611.db2.gz DWKMUOHOSIDYOB-CYBMUJFWSA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)[C@@H]1CCC[N@H+]1CC1=CCCC1 645781135 371965777 /nfs/dbraw/zinc/96/57/77/371965777.db2.gz DWKMUOHOSIDYOB-ZDUSSCGKSA-N 1 1 193.334 3.217 10 0 AGAEMO CCCC[N@@H+](CC1=CCCC1)C1CC1 645776376 371966064 /nfs/dbraw/zinc/96/60/64/371966064.db2.gz CWLSDSDNUCKOMF-UHFFFAOYSA-N 1 1 193.334 3.361 10 0 AGAEMO CCC[C@H](C)[N@@H+](C)CC1=CCCC1 645775402 371966083 /nfs/dbraw/zinc/96/60/83/371966083.db2.gz CRKHBPGFJFPTFL-NSHDSACASA-N 1 1 181.323 3.217 10 0 AGAEMO CC(C)[N@H+](CC1=CCCC1)CC1CC1 645818996 371967086 /nfs/dbraw/zinc/96/70/86/371967086.db2.gz FLNLJVWSNKNANJ-UHFFFAOYSA-N 1 1 193.334 3.217 10 0 AGAEMO CC(C)[C@H]1CC[N@@H+](CC2=CCCC2)C1 645814113 371967304 /nfs/dbraw/zinc/96/73/04/371967304.db2.gz VBOBMVWBNSGIAS-ZDUSSCGKSA-N 1 1 193.334 3.075 10 0 AGAEMO CC(C)[C@@H]1CC[N@@H+](CC2=CCCC2)C1 645814112 371967561 /nfs/dbraw/zinc/96/75/61/371967561.db2.gz VBOBMVWBNSGIAS-CYBMUJFWSA-N 1 1 193.334 3.075 10 0 AGAEMO CC[N@@H+](CCC1CC1)CC1=CCCC1 645858015 371969371 /nfs/dbraw/zinc/96/93/71/371969371.db2.gz GAMJKGRNQLWDSA-UHFFFAOYSA-N 1 1 193.334 3.219 10 0 AGAEMO C[N@@H+](CC1=CCCC1)C1(C)CCCC1 645894371 371970321 /nfs/dbraw/zinc/97/03/21/371970321.db2.gz RWNNPHLSKGCSKW-UHFFFAOYSA-N 1 1 193.334 3.361 10 0 AGAEMO CC1=C(C)C[N@@H+](CC2=CCCC2)CC1 645896547 371971317 /nfs/dbraw/zinc/97/13/17/371971317.db2.gz CZSOMDNFBPYAQP-UHFFFAOYSA-N 1 1 191.318 3.139 10 0 AGAEMO CC(C)=CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 645954667 371973176 /nfs/dbraw/zinc/97/31/76/371973176.db2.gz BJBQMLSBAYFAGZ-STQMWFEESA-N 1 1 193.334 3.217 10 0 AGAEMO CCC[N@H+]1CCC[C@@H]1CC(C)(C)C 201944066 375409020 /nfs/dbraw/zinc/40/90/20/375409020.db2.gz VCSIUUAJPFQIGN-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[N@H+]1CCC[C@H]1CC(C)(C)C 201945673 375409345 /nfs/dbraw/zinc/40/93/45/375409345.db2.gz VCSIUUAJPFQIGN-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CCC[N@H+]1C[C@H]2CCCCCC[C@@H]21 306718468 375457664 /nfs/dbraw/zinc/45/76/64/375457664.db2.gz WGZQJDRFIPAQIR-NEPJUHHUSA-N 1 1 181.323 3.051 10 0 AGAEMO CCC[N@H+]1C[C@H]2CCCCCC[C@H]21 306718471 375457676 /nfs/dbraw/zinc/45/76/76/375457676.db2.gz WGZQJDRFIPAQIR-VXGBXAGGSA-N 1 1 181.323 3.051 10 0 AGAEMO CCC[N@H+]1C[C@@H]2CCCCCC[C@@H]21 306718470 375457757 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CC(C)=CC[N@H+]1CCC[C@H](CCF)C1 661689952 409653144 /nfs/dbraw/zinc/65/31/44/409653144.db2.gz MCUMDJBQXYQSRE-GFCCVEGCSA-N 1 1 199.313 3.024 10 0 AGAEMO FCC[C@@H]1CCC[N@H+](C2CCCC2)C1 661690475 409654347 /nfs/dbraw/zinc/65/43/47/409654347.db2.gz NLJPPBCXAVDLKD-NSHDSACASA-N 1 1 199.313 3.001 10 0 AGAEMO CC(C)=CC[N@H+]1CCC[C@@H](CCF)C1 661689953 409655485 /nfs/dbraw/zinc/65/54/85/409655485.db2.gz MCUMDJBQXYQSRE-LBPRGKRZSA-N 1 1 199.313 3.024 10 0 AGAEMO CC[N@H+]1CCCC[C@@H]1CC1CCC1 662156910 409693638 /nfs/dbraw/zinc/69/36/38/409693638.db2.gz MYVOBBSPJQUFFX-GFCCVEGCSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[N@H+]1CCCC[C@H]1CC1CCC1 662156911 409695461 /nfs/dbraw/zinc/69/54/61/409695461.db2.gz MYVOBBSPJQUFFX-LBPRGKRZSA-N 1 1 181.323 3.051 10 0 AGAEMO CC(C)C[N@@H+](CCC1CC1)CC1CC1 662180080 409698331 /nfs/dbraw/zinc/69/83/31/409698331.db2.gz ZMIZJMDEADNFRY-UHFFFAOYSA-N 1 1 195.350 3.155 10 0 AGAEMO CC[C@H](C)[N@@H+](CCC1CC1)CC1CC1 662177681 409698815 /nfs/dbraw/zinc/69/88/15/409698815.db2.gz LINWFWAOQHABKG-NSHDSACASA-N 1 1 195.350 3.297 10 0 AGAEMO CC[C@@H](C)[N@@H+](CCC1CC1)CC1CC1 662177680 409699409 /nfs/dbraw/zinc/69/94/09/409699409.db2.gz LINWFWAOQHABKG-LLVKDONJSA-N 1 1 195.350 3.297 10 0 AGAEMO CCCC[N@H+]1Cc2ccccc2[C@H]1C 662288967 409712593 /nfs/dbraw/zinc/71/25/93/409712593.db2.gz NVKCVYBYSSKMJD-LLVKDONJSA-N 1 1 189.302 3.363 10 0 AGAEMO CC[C@H]1CC[N@H+]1CCC(C)(C)CC 308410590 409717765 /nfs/dbraw/zinc/71/77/65/409717765.db2.gz OFAZRGOVRYXPHR-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@H]1CC[N@H+]1C[C@@H](C)C(C)(C)C 308411214 409718069 /nfs/dbraw/zinc/71/80/69/409718069.db2.gz OLRXHAAKRYUMEX-MNOVXSKESA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H]1CC[N@H+]1C[C@@H](C)C(C)(C)C 308411213 409718140 /nfs/dbraw/zinc/71/81/40/409718140.db2.gz OLRXHAAKRYUMEX-GHMZBOCLSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H]1CC[N@H+]1C[C@H](C)CC(C)C 308413035 409718166 /nfs/dbraw/zinc/71/81/66/409718166.db2.gz PKBWUHHOYIGTNP-VXGBXAGGSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H]1CC[N@H+]1C[C@H](C)C(C)(C)C 308411216 409718368 /nfs/dbraw/zinc/71/83/68/409718368.db2.gz OLRXHAAKRYUMEX-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H]1CC[N@H+]1C[C@H](C)CC(C)C 308413030 409718481 /nfs/dbraw/zinc/71/84/81/409718481.db2.gz PKBWUHHOYIGTNP-NEPJUHHUSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H]1CC[N@H+]1C[C@@H](C)CC(C)C 308413032 409718568 /nfs/dbraw/zinc/71/85/68/409718568.db2.gz PKBWUHHOYIGTNP-NWDGAFQWSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@H]1CC[N@H+]1C[C@H](C)C(C)(C)C 308411215 409720025 /nfs/dbraw/zinc/72/00/25/409720025.db2.gz OLRXHAAKRYUMEX-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H]1CC[N@H+]1CCC(C)(C)CC 308410588 409719737 /nfs/dbraw/zinc/71/97/37/409719737.db2.gz OFAZRGOVRYXPHR-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@H]1CC[N@H+]1C[C@@H](C)CC(C)C 308413033 409720590 /nfs/dbraw/zinc/72/05/90/409720590.db2.gz PKBWUHHOYIGTNP-RYUDHWBXSA-N 1 1 183.339 3.153 10 0 AGAEMO FCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 662377463 409722694 /nfs/dbraw/zinc/72/26/94/409722694.db2.gz HLWBIANUYGEWMR-RYUDHWBXSA-N 1 1 199.313 3.001 10 0 AGAEMO CC12CC(C[N@H+]1CCCC1CCC1)C2 662385891 409727317 /nfs/dbraw/zinc/72/73/17/409727317.db2.gz JPQKEFVHUJMKEY-UHFFFAOYSA-N 1 1 193.334 3.051 10 0 AGAEMO CC12CC(C[N@H+]1CCC1CCCC1)C2 662384311 409728411 /nfs/dbraw/zinc/72/84/11/409728411.db2.gz XMJXVIGBPBSANX-UHFFFAOYSA-N 1 1 193.334 3.051 10 0 AGAEMO CC12CC(C[N@H+]1CC1CCCCC1)C2 662380522 409728429 /nfs/dbraw/zinc/72/84/29/409728429.db2.gz NZMYCDHDIVOHJE-UHFFFAOYSA-N 1 1 193.334 3.051 10 0 AGAEMO CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@@H]1C 378853879 409806095 /nfs/dbraw/zinc/80/60/95/409806095.db2.gz IGEUVASQOXJNPG-TUAOUCFPSA-N 1 1 183.339 3.009 10 0 AGAEMO CC(C)C[C@H](C)C[N@H+]1C[C@H](C)[C@@H]1C 378853878 409806193 /nfs/dbraw/zinc/80/61/93/409806193.db2.gz IGEUVASQOXJNPG-SRVKXCTJSA-N 1 1 183.339 3.009 10 0 AGAEMO CC(C)C[C@H](C)C[N@H+]1C[C@H](C)[C@H]1C 378853877 409806296 /nfs/dbraw/zinc/80/62/96/409806296.db2.gz IGEUVASQOXJNPG-SDDRHHMPSA-N 1 1 183.339 3.009 10 0 AGAEMO CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H]1C 378853876 409806798 /nfs/dbraw/zinc/80/67/98/409806798.db2.gz IGEUVASQOXJNPG-QJPTWQEYSA-N 1 1 183.339 3.009 10 0 AGAEMO C[C@H]1[C@H](C)C[N@H+]1CCCC(C)(C)C 378870180 409811549 /nfs/dbraw/zinc/81/15/49/409811549.db2.gz LTOMAXYDZSCXBN-MNOVXSKESA-N 1 1 183.339 3.153 10 0 AGAEMO CCC(C)(C)CC[N@H+]1C[C@@H](C)[C@H]1C 378869220 409812552 /nfs/dbraw/zinc/81/25/52/409812552.db2.gz JLIPQYOLKWWMKP-GHMZBOCLSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC(C)(C)CC[N@H+]1C[C@H](C)[C@@H]1C 378869222 409812650 /nfs/dbraw/zinc/81/26/50/409812650.db2.gz JLIPQYOLKWWMKP-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@H]1C[N@@H+](CCCC(C)(C)C)[C@@H]1C 378870182 409812724 /nfs/dbraw/zinc/81/27/24/409812724.db2.gz LTOMAXYDZSCXBN-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC(C)(C)CC[N@H+]1C[C@H](C)[C@H]1C 378869223 409812985 /nfs/dbraw/zinc/81/29/85/409812985.db2.gz JLIPQYOLKWWMKP-WDEREUQCSA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@@H]1C[N@@H+](CCCC(C)(C)C)[C@@H]1C 378870179 409813254 /nfs/dbraw/zinc/81/32/54/409813254.db2.gz LTOMAXYDZSCXBN-GHMZBOCLSA-N 1 1 183.339 3.153 10 0 AGAEMO CCC(C)(C)CC[N@H+]1C[C@@H](C)[C@@H]1C 378869221 409813301 /nfs/dbraw/zinc/81/33/01/409813301.db2.gz JLIPQYOLKWWMKP-MNOVXSKESA-N 1 1 183.339 3.153 10 0 AGAEMO C[C@H]1C[N@@H+](CCCC(C)(C)C)[C@H]1C 378870181 409813798 /nfs/dbraw/zinc/81/37/98/409813798.db2.gz LTOMAXYDZSCXBN-QWRGUYRKSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[C@@H]1CC[N@H+]1CCCC(C)(C)C 379361195 409832914 /nfs/dbraw/zinc/83/29/14/409832914.db2.gz DOLKJBVWRSZADS-LLVKDONJSA-N 1 1 183.339 3.297 10 0 AGAEMO CC[C@H]1CC[N@H+]1CCCC(C)(C)C 379361197 409833340 /nfs/dbraw/zinc/83/33/40/409833340.db2.gz DOLKJBVWRSZADS-NSHDSACASA-N 1 1 183.339 3.297 10 0 AGAEMO CC[N@@H+](CCC1CC1)C1CC(C)(C)C1 665249153 409861808 /nfs/dbraw/zinc/86/18/08/409861808.db2.gz UEGTVNSPMAGMPS-UHFFFAOYSA-N 1 1 195.350 3.297 10 0 AGAEMO CC[N@@H+](CC(C)C)C1CC(C)(C)C1 665248617 409862962 /nfs/dbraw/zinc/86/29/62/409862962.db2.gz GBBVBIBHUGLLJP-UHFFFAOYSA-N 1 1 183.339 3.153 10 0 AGAEMO CC[N@@H+](CCCCF)CC(C)(C)C 388262669 409949738 /nfs/dbraw/zinc/94/97/38/409949738.db2.gz BSHWGHFYNIXTHP-UHFFFAOYSA-N 1 1 189.318 3.104 10 0 AGAEMO CC[C@@H]1CC[N@H+]1CCC1CCCC1 388312028 409952141 /nfs/dbraw/zinc/95/21/41/409952141.db2.gz SGGOPFQOSZSQNS-GFCCVEGCSA-N 1 1 181.323 3.051 10 0 AGAEMO CC[C@H]1CC[N@H+]1CCC1CCCC1 388312029 409952345 /nfs/dbraw/zinc/95/23/45/409952345.db2.gz SGGOPFQOSZSQNS-LBPRGKRZSA-N 1 1 181.323 3.051 10 0 AGAEMO CC(C)=CC[N@H+](CC(C)C)C1CC1 388764713 409962090 /nfs/dbraw/zinc/96/20/90/409962090.db2.gz FGBNVJGSIDPOST-UHFFFAOYSA-N 1 1 181.323 3.073 10 0 AGAEMO CCC[N@@H+](C)[C@@H]1C=CCCCCC1 393942805 409996319 /nfs/dbraw/zinc/99/63/19/409996319.db2.gz AVIOIWYWARDORW-GFCCVEGCSA-N 1 1 181.323 3.217 10 0 AGAEMO CCC[N@@H+](C)[C@H]1C=CCCCCC1 393942808 409997156 /nfs/dbraw/zinc/99/71/56/409997156.db2.gz AVIOIWYWARDORW-LBPRGKRZSA-N 1 1 181.323 3.217 10 0 AGAEMO Cc1[nH+]ccn1CCC(C)(C)C1CC1 406084970 410044921 /nfs/dbraw/zinc/04/49/21/410044921.db2.gz ZAECTIUKKGGVKK-UHFFFAOYSA-N 1 1 192.306 3.018 10 0 AGAEMO CCCC[N@@H+](C)CC1=CCCCC1 649223998 410178273 /nfs/dbraw/zinc/17/82/73/410178273.db2.gz BEJCWYHBDMDGBG-UHFFFAOYSA-N 1 1 181.323 3.219 10 0 AGAEMO CCC[N@@H+](C)CCC1=CCCCC1 649271156 410182880 /nfs/dbraw/zinc/18/28/80/410182880.db2.gz FMYMNALUFVGBDM-UHFFFAOYSA-N 1 1 181.323 3.219 10 0 AGAEMO C[C@H]1CCC[N@H+]1CCC1=CCCCC1 649332137 410187385 /nfs/dbraw/zinc/18/73/85/410187385.db2.gz AHCGYPCFBXGLHW-LBPRGKRZSA-N 1 1 193.334 3.361 10 0 AGAEMO C[N@@H+](CC12CCC(CC1)C2)C1CCC1 649323897 410187674 /nfs/dbraw/zinc/18/76/74/410187674.db2.gz HYGRGAXZMUPQTJ-UHFFFAOYSA-N 1 1 193.334 3.051 10 0 AGAEMO C[C@@H]1CCC[N@H+]1CCC1=CCCCC1 649332136 410188280 /nfs/dbraw/zinc/18/82/80/410188280.db2.gz AHCGYPCFBXGLHW-GFCCVEGCSA-N 1 1 193.334 3.361 10 0 AGAEMO C[C@H]1C[C@@H](C)[N@H+]1CCC1=CCCCC1 649518455 410209498 /nfs/dbraw/zinc/20/94/98/410209498.db2.gz OSEMVKSOWVHVNF-TXEJJXNPSA-N 1 1 193.334 3.360 10 0 AGAEMO C[C@H]1C[N@@H+](CCC2=CCCCC2)[C@@H]1C 649651841 410220794 /nfs/dbraw/zinc/22/07/94/410220794.db2.gz XYLNRBLAFSKGEG-NWDGAFQWSA-N 1 1 193.334 3.217 10 0 AGAEMO CC[C@H](C)C[N@H+]1CCC12CCCC2 649657209 410220928 /nfs/dbraw/zinc/22/09/28/410220928.db2.gz RHLFKTKLCSQYTC-NSHDSACASA-N 1 1 181.323 3.051 10 0 AGAEMO CC1(C[N@H+]2CCC23CCCC3)CCC1 649658226 410221096 /nfs/dbraw/zinc/22/10/96/410221096.db2.gz CXMWHJBMCKKGAZ-UHFFFAOYSA-N 1 1 193.334 3.195 10 0 AGAEMO FCCCCC[N@H+]1CCC12CCCC2 649658667 410221324 /nfs/dbraw/zinc/22/13/24/410221324.db2.gz TUCXQGHHDMSAGL-UHFFFAOYSA-N 1 1 199.313 3.145 10 0 AGAEMO C1=C[C@H]([N@H+]2CCC23CCCC3)CCC1 649656219 410221413 /nfs/dbraw/zinc/22/14/13/410221413.db2.gz DQBZYKDEWLIJHM-LBPRGKRZSA-N 1 1 191.318 3.114 10 0 AGAEMO CC(C)CC[N@H+]1CCC12CCCC2 649656328 410221538 /nfs/dbraw/zinc/22/15/38/410221538.db2.gz IUPSQBDYDCIXLP-UHFFFAOYSA-N 1 1 181.323 3.051 10 0 AGAEMO CC/C=C/CC[N@H+]1CCC12CCCC2 649657609 410221815 /nfs/dbraw/zinc/22/18/15/410221815.db2.gz GXQSQKMJGXISRJ-ONEGZZNKSA-N 1 1 193.334 3.361 10 0 AGAEMO C1CCC(C[N@H+]2CCC23CCCC3)C1 649656212 410221965 /nfs/dbraw/zinc/22/19/65/410221965.db2.gz DKCOTCQIEODZSR-UHFFFAOYSA-N 1 1 193.334 3.195 10 0 AGAEMO CC[C@@H](C)C[N@H+]1CCC12CCCC2 649657208 410222476 /nfs/dbraw/zinc/22/24/76/410222476.db2.gz RHLFKTKLCSQYTC-LLVKDONJSA-N 1 1 181.323 3.051 10 0 AGAEMO C[C@H]1[C@H](C)C[N@H+]1CCC1=CCCCC1 649651840 410222537 /nfs/dbraw/zinc/22/25/37/410222537.db2.gz XYLNRBLAFSKGEG-NEPJUHHUSA-N 1 1 193.334 3.217 10 0 AGAEMO CCCCC[N@H+]1CCC12CCCC2 649656231 410222599 /nfs/dbraw/zinc/22/25/99/410222599.db2.gz DXIBNKBPWPQUND-UHFFFAOYSA-N 1 1 181.323 3.195 10 0 AGAEMO C[C@@H]1C[N@@H+](CCC2=CCCCC2)[C@@H]1C 649651843 410222704 /nfs/dbraw/zinc/22/27/04/410222704.db2.gz XYLNRBLAFSKGEG-VXGBXAGGSA-N 1 1 193.334 3.217 10 0 AGAEMO C[C@H]1C[N@@H+](CCC2=CCCCC2)[C@H]1C 649651842 410222844 /nfs/dbraw/zinc/22/28/44/410222844.db2.gz XYLNRBLAFSKGEG-RYUDHWBXSA-N 1 1 193.334 3.217 10 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