smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCCc2ccc[nH+]c21 20975032 536398097 /nfs/dbraw/zinc/39/80/97/536398097.db2.gz MXIPJUWAMKULQI-UHFFFAOYSA-N 1 1 148.209 1.464 10 0 ADAEMO CCC[N@@H+](C)C[C@@](C)(O)CC 17666191 537778385 /nfs/dbraw/zinc/77/83/85/537778385.db2.gz AXMWWNUQEBRXNC-VIFPVBQESA-N 1 1 159.273 1.489 10 0 ADAEMO CCC[N@@H+](C)C[C@](C)(O)CC 17666192 537778920 /nfs/dbraw/zinc/77/89/20/537778920.db2.gz AXMWWNUQEBRXNC-SECBINFHSA-N 1 1 159.273 1.489 10 0 ADAEMO CC(C)[NH2+]CCCN1CCCCC1 20128805 537783370 /nfs/dbraw/zinc/78/33/70/537783370.db2.gz BIZSSYVOXIOJIP-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO C[C@@H]1CCC[C@@](O)(C(F)(F)C[NH3+])C1 675073539 537789352 /nfs/dbraw/zinc/78/93/52/537789352.db2.gz KYWLAKBXXUZFMX-SFYZADRCSA-N 1 1 193.237 1.522 10 0 ADAEMO CC1CCC(O)(C(F)(F)C[NH3+])CC1 675073321 537789627 /nfs/dbraw/zinc/78/96/27/537789627.db2.gz IVIJAQZAILYGEU-UHFFFAOYSA-N 1 1 193.237 1.522 10 0 ADAEMO C[C@@H]1CCC[C@](O)(C(F)(F)C[NH3+])C1 675073536 537790286 /nfs/dbraw/zinc/79/02/86/537790286.db2.gz KYWLAKBXXUZFMX-HTQZYQBOSA-N 1 1 193.237 1.522 10 0 ADAEMO C[C@H]1CCC[C@](O)(C(F)(F)C[NH3+])C1 675073537 537790389 /nfs/dbraw/zinc/79/03/89/537790389.db2.gz KYWLAKBXXUZFMX-JGVFFNPUSA-N 1 1 193.237 1.522 10 0 ADAEMO C[C@H]1CCC[C@@](O)(C(F)(F)C[NH3+])C1 675073541 537791171 /nfs/dbraw/zinc/79/11/71/537791171.db2.gz KYWLAKBXXUZFMX-YUMQZZPRSA-N 1 1 193.237 1.522 10 0 ADAEMO CC[N@@H+](C)CCCC(=O)C(C)C 675075537 537792177 /nfs/dbraw/zinc/79/21/77/537792177.db2.gz RMNOUNZUJGBTFU-UHFFFAOYSA-N 1 1 171.284 1.943 10 0 ADAEMO [NH3+][C@@H]1C=C(c2ccccc2)CNC1 675076603 537792207 /nfs/dbraw/zinc/79/22/07/537792207.db2.gz DXMINXAMGUYZJQ-LLVKDONJSA-N 1 1 174.247 1.001 10 0 ADAEMO CCC[N@@H+](C)C1CCOCC1 34016807 537792476 /nfs/dbraw/zinc/79/24/76/537792476.db2.gz IJSNSLSSWHIYNP-UHFFFAOYSA-N 1 1 157.257 1.507 10 0 ADAEMO [NH3+][C@H]1C=C(Cc2ccccc2)CNC1 675076813 537793252 /nfs/dbraw/zinc/79/32/52/537793252.db2.gz GISFTLVUCYNSBK-LBPRGKRZSA-N 1 1 188.274 1.086 10 0 ADAEMO Cc1ccc(C2=C[C@@H]([NH3+])CNC2)cc1 675076587 537793828 /nfs/dbraw/zinc/79/38/28/537793828.db2.gz DRCXVJOXAMEXPF-GFCCVEGCSA-N 1 1 188.274 1.309 10 0 ADAEMO Cc1ccc(C2=C[C@H]([NH3+])CNC2)cc1 675076589 537794333 /nfs/dbraw/zinc/79/43/33/537794333.db2.gz DRCXVJOXAMEXPF-LBPRGKRZSA-N 1 1 188.274 1.309 10 0 ADAEMO CC(C)[N@@H+](C)CCCCO 35649776 537794521 /nfs/dbraw/zinc/79/45/21/537794521.db2.gz GEOHCVFUJCXPKB-UHFFFAOYSA-N 1 1 145.246 1.099 10 0 ADAEMO CCCCC[N@@H+](C)CCCO 35649629 537794733 /nfs/dbraw/zinc/79/47/33/537794733.db2.gz PHMSQDJALUFGSV-UHFFFAOYSA-N 1 1 159.273 1.491 10 0 ADAEMO [NH3+][C@@H]1C=C(Cc2ccccc2)CNC1 675076811 537794951 /nfs/dbraw/zinc/79/49/51/537794951.db2.gz GISFTLVUCYNSBK-GFCCVEGCSA-N 1 1 188.274 1.086 10 0 ADAEMO [NH3+][C@H]1C=C(c2ccccc2)CNC1 675076606 537795369 /nfs/dbraw/zinc/79/53/69/537795369.db2.gz DXMINXAMGUYZJQ-NSHDSACASA-N 1 1 174.247 1.001 10 0 ADAEMO N[C@@H]1C=C(c2cccs2)C[NH2+]C1 675077837 537796330 /nfs/dbraw/zinc/79/63/30/537796330.db2.gz JDPHHJVTVXVWAN-MRVPVSSYSA-N 1 1 180.276 1.062 10 0 ADAEMO Cc1ccsc1C1=C[C@H]([NH3+])CNC1 675078116 537796575 /nfs/dbraw/zinc/79/65/75/537796575.db2.gz WBFAPASUIGTPKE-VIFPVBQESA-N 1 1 194.303 1.370 10 0 ADAEMO [NH3+][C@@H]1C=C(Cc2cccs2)CNC1 675078054 537796968 /nfs/dbraw/zinc/79/69/68/537796968.db2.gz VGUDXGIGPVXEBL-SECBINFHSA-N 1 1 194.303 1.148 10 0 ADAEMO CCCCC[N@@H+](C)CCCCO 35649631 537796998 /nfs/dbraw/zinc/79/69/98/537796998.db2.gz POVNVLQJNRHYHC-UHFFFAOYSA-N 1 1 173.300 1.881 10 0 ADAEMO Cc1ccc(C2=C[C@H]([NH3+])CNC2)s1 675078161 537797089 /nfs/dbraw/zinc/79/70/89/537797089.db2.gz WNIVOBFOXQAVPT-VIFPVBQESA-N 1 1 194.303 1.370 10 0 ADAEMO N[C@@H]1C=C(c2ccsc2)C[NH2+]C1 675077223 537797290 /nfs/dbraw/zinc/79/72/90/537797290.db2.gz BBVDLMVPFPNYRZ-SECBINFHSA-N 1 1 180.276 1.062 10 0 ADAEMO [NH3+][C@H]1C=C(Cc2cccs2)CNC1 675078056 537797512 /nfs/dbraw/zinc/79/75/12/537797512.db2.gz VGUDXGIGPVXEBL-VIFPVBQESA-N 1 1 194.303 1.148 10 0 ADAEMO [NH3+][C@@H]1C=C(c2ccc(F)cc2)CNC1 675077875 537797609 /nfs/dbraw/zinc/79/76/09/537797609.db2.gz JPHPRGFQNCXBCV-LLVKDONJSA-N 1 1 192.237 1.140 10 0 ADAEMO Cc1ccc(C2=C[C@@H]([NH3+])CNC2)s1 675078160 537797663 /nfs/dbraw/zinc/79/76/63/537797663.db2.gz WNIVOBFOXQAVPT-SECBINFHSA-N 1 1 194.303 1.370 10 0 ADAEMO N[C@H]1C=C(c2cccs2)C[NH2+]C1 675077838 537798041 /nfs/dbraw/zinc/79/80/41/537798041.db2.gz JDPHHJVTVXVWAN-QMMMGPOBSA-N 1 1 180.276 1.062 10 0 ADAEMO Cc1cccc(C2=C[C@H]([NH3+])CNC2)c1 675077202 537798259 /nfs/dbraw/zinc/79/82/59/537798259.db2.gz AMCKUOSUOBLQPH-LBPRGKRZSA-N 1 1 188.274 1.309 10 0 ADAEMO Cc1ccc(C[N@@H+](C)CCCO)o1 35123855 537798836 /nfs/dbraw/zinc/79/88/36/537798836.db2.gz SQWXAZDINSIJIS-UHFFFAOYSA-N 1 1 183.251 1.402 10 0 ADAEMO Cc1cccc(C2=C[C@@H]([NH3+])CNC2)c1 675077201 537798914 /nfs/dbraw/zinc/79/89/14/537798914.db2.gz AMCKUOSUOBLQPH-GFCCVEGCSA-N 1 1 188.274 1.309 10 0 ADAEMO Cc1ccsc1C1=C[C@@H]([NH3+])CNC1 675078113 537799401 /nfs/dbraw/zinc/79/94/01/537799401.db2.gz WBFAPASUIGTPKE-SECBINFHSA-N 1 1 194.303 1.370 10 0 ADAEMO N[C@H]1C=C(c2ccsc2)C[NH2+]C1 675077224 537799485 /nfs/dbraw/zinc/79/94/85/537799485.db2.gz BBVDLMVPFPNYRZ-VIFPVBQESA-N 1 1 180.276 1.062 10 0 ADAEMO [NH3+][C@@H]1C=C(Cc2ccsc2)CNC1 675078089 537799738 /nfs/dbraw/zinc/79/97/38/537799738.db2.gz VQMOOYFADQBXRT-SNVBAGLBSA-N 1 1 194.303 1.148 10 0 ADAEMO [NH3+][C@H]1C=C(Cc2ccsc2)CNC1 675078087 537799916 /nfs/dbraw/zinc/79/99/16/537799916.db2.gz VQMOOYFADQBXRT-JTQLQIEISA-N 1 1 194.303 1.148 10 0 ADAEMO C[N@@H+](CCCCO)Cc1ccncc1 36776736 537800302 /nfs/dbraw/zinc/80/03/02/537800302.db2.gz XHUAQFGJPWGMGO-UHFFFAOYSA-N 1 1 194.278 1.286 10 0 ADAEMO [NH3+][C@H]1C=C(c2ccc(F)cc2)CNC1 675077877 537800307 /nfs/dbraw/zinc/80/03/07/537800307.db2.gz JPHPRGFQNCXBCV-NSHDSACASA-N 1 1 192.237 1.140 10 0 ADAEMO C[N@@H+](CCCCO)Cc1ccccn1 36778489 537802754 /nfs/dbraw/zinc/80/27/54/537802754.db2.gz ZJHTWIUTDHVGAR-UHFFFAOYSA-N 1 1 194.278 1.286 10 0 ADAEMO [NH3+][C@H]1C=C(c2cccc(F)c2)CNC1 675079533 537802900 /nfs/dbraw/zinc/80/29/00/537802900.db2.gz ZZTYZBNOPYQVLJ-NSHDSACASA-N 1 1 192.237 1.140 10 0 ADAEMO N[C@H]1C[NH2+]CC[C@H]1C=C1CCCCC1 675080211 537803118 /nfs/dbraw/zinc/80/31/18/537803118.db2.gz OPIPSXVQDRXJMW-RYUDHWBXSA-N 1 1 194.322 1.814 10 0 ADAEMO C[N@@H+](CCCCO)Cc1cccnc1 36771556 537803161 /nfs/dbraw/zinc/80/31/61/537803161.db2.gz RRUXOKLFSCLRCE-UHFFFAOYSA-N 1 1 194.278 1.286 10 0 ADAEMO N[C@@H]1C[NH2+]CC[C@@H]1C=C1CCCCC1 675080213 537803402 /nfs/dbraw/zinc/80/34/02/537803402.db2.gz OPIPSXVQDRXJMW-VXGBXAGGSA-N 1 1 194.322 1.814 10 0 ADAEMO N[C@@H]1C[NH2+]CC[C@H]1C=C1CCCCC1 675080210 537804280 /nfs/dbraw/zinc/80/42/80/537804280.db2.gz OPIPSXVQDRXJMW-NWDGAFQWSA-N 1 1 194.322 1.814 10 0 ADAEMO CC(C)C[C@H](C)[NH2+]Cc1ccn[nH]1 36900330 537804907 /nfs/dbraw/zinc/80/49/07/537804907.db2.gz STMUJBGUSBJIRK-VIFPVBQESA-N 1 1 181.283 1.934 10 0 ADAEMO CC(C)C[C@@H](C)[NH2+]Cc1ccn[nH]1 36900329 537805331 /nfs/dbraw/zinc/80/53/31/537805331.db2.gz STMUJBGUSBJIRK-SECBINFHSA-N 1 1 181.283 1.934 10 0 ADAEMO Cc1ccccc1C1=C[C@H]([NH3+])CNC1 675079515 537805651 /nfs/dbraw/zinc/80/56/51/537805651.db2.gz ZWFUBYFACAHSBE-NSHDSACASA-N 1 1 188.274 1.309 10 0 ADAEMO Cc1ccccc1C1=C[C@@H]([NH3+])CNC1 675079514 537805988 /nfs/dbraw/zinc/80/59/88/537805988.db2.gz ZWFUBYFACAHSBE-LLVKDONJSA-N 1 1 188.274 1.309 10 0 ADAEMO [NH3+][C@@H]1C=C(c2cccc(F)c2)CNC1 675079521 537806125 /nfs/dbraw/zinc/80/61/25/537806125.db2.gz ZZTYZBNOPYQVLJ-LLVKDONJSA-N 1 1 192.237 1.140 10 0 ADAEMO N[C@H]1C[NH2+]CC[C@@H]1C=C1CCCCC1 675080209 537806262 /nfs/dbraw/zinc/80/62/62/537806262.db2.gz OPIPSXVQDRXJMW-NEPJUHHUSA-N 1 1 194.322 1.814 10 0 ADAEMO CC[C@@H](C)[NH2+]C[C@H]1CCN(CC)C1 37484164 537813795 /nfs/dbraw/zinc/81/37/95/537813795.db2.gz ZMTRDKWBALXLCY-GHMZBOCLSA-N 1 1 184.327 1.716 10 0 ADAEMO CCN1CC[C@H](C[NH2+][C@@H](C)C2CC2)C1 37484238 537813909 /nfs/dbraw/zinc/81/39/09/537813909.db2.gz MTMHIKCTBJIZFU-WDEREUQCSA-N 1 1 196.338 1.716 10 0 ADAEMO CC1CCN(CCC[NH2+]C2CC2)CC1 37478465 537815158 /nfs/dbraw/zinc/81/51/58/537815158.db2.gz MTNJXONPPBRZBN-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO CCN1CC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 37484239 537815768 /nfs/dbraw/zinc/81/57/68/537815768.db2.gz MTMHIKCTBJIZFU-QWRGUYRKSA-N 1 1 196.338 1.716 10 0 ADAEMO CN(CCC[NH2+]C1CC1)C1CC1 37478548 537815914 /nfs/dbraw/zinc/81/59/14/537815914.db2.gz VZQLQTOACNHZNJ-UHFFFAOYSA-N 1 1 168.284 1.223 10 0 ADAEMO CCN1CC[C@H](C[NH2+][C@@H](C)C(C)C)C1 37484230 537816431 /nfs/dbraw/zinc/81/64/31/537816431.db2.gz JZXWCHLWWOVGQV-NWDGAFQWSA-N 1 1 198.354 1.962 10 0 ADAEMO C[NH2+]C[C@@H](N)C1CCCCCC1 685946548 537817254 /nfs/dbraw/zinc/81/72/54/537817254.db2.gz CKNXINKJYWPTAS-SNVBAGLBSA-N 1 1 170.300 1.504 10 0 ADAEMO C[NH2+]C[C@H](N)C1CCCCCC1 685946544 537817456 /nfs/dbraw/zinc/81/74/56/537817456.db2.gz CKNXINKJYWPTAS-JTQLQIEISA-N 1 1 170.300 1.504 10 0 ADAEMO CC[C@@H](C)[NH2+]C[C@@H]1CCN(CC)C1 37484162 537817523 /nfs/dbraw/zinc/81/75/23/537817523.db2.gz ZMTRDKWBALXLCY-MNOVXSKESA-N 1 1 184.327 1.716 10 0 ADAEMO C1CCN(CCC[NH2+]C2CC2)C1 37478467 537817681 /nfs/dbraw/zinc/81/76/81/537817681.db2.gz KEUXIKQIDNMPIV-UHFFFAOYSA-N 1 1 168.284 1.224 10 0 ADAEMO CCN1CC[C@@H](C[NH2+][C@@H](C)C(C)C)C1 37484231 537817931 /nfs/dbraw/zinc/81/79/31/537817931.db2.gz JZXWCHLWWOVGQV-RYUDHWBXSA-N 1 1 198.354 1.962 10 0 ADAEMO CC[C@H](C)[NH2+]C[C@H]1CCN(CC)C1 37484165 537818273 /nfs/dbraw/zinc/81/82/73/537818273.db2.gz ZMTRDKWBALXLCY-WDEREUQCSA-N 1 1 184.327 1.716 10 0 ADAEMO C1CCN(CCC[NH2+]C2CC2)CC1 37478521 537818292 /nfs/dbraw/zinc/81/82/92/537818292.db2.gz WAFKTLOEBXCNQN-UHFFFAOYSA-N 1 1 182.311 1.614 10 0 ADAEMO CC[NH2+]C[C@@H]1NCC[C@@H]2CCCC[C@@H]21 685947391 537818298 /nfs/dbraw/zinc/81/82/98/537818298.db2.gz MSAWJBSQDQKWEA-SRVKXCTJSA-N 1 1 196.338 1.764 10 0 ADAEMO CCNC[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]21 685947391 537818304 /nfs/dbraw/zinc/81/83/04/537818304.db2.gz MSAWJBSQDQKWEA-SRVKXCTJSA-N 1 1 196.338 1.764 10 0 ADAEMO CCC[N@@H+](C)[C@H]1CCNC[C@@H]1F 685948395 537822234 /nfs/dbraw/zinc/82/22/34/537822234.db2.gz MCZNRCPWPDQIOV-IUCAKERBSA-N 1 1 174.263 1.028 10 0 ADAEMO CC[C@H](C)[NH2+]C[C@@H]1CCN(CC)C1 37484163 537818636 /nfs/dbraw/zinc/81/86/36/537818636.db2.gz ZMTRDKWBALXLCY-QWRGUYRKSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[NH2+]C[C@H](N)C1CCCCCC1 685946933 537818813 /nfs/dbraw/zinc/81/88/13/537818813.db2.gz GXCNFAUKSKJOPP-NSHDSACASA-N 1 1 184.327 1.894 10 0 ADAEMO CC[NH2+]C[C@@H](N)C1CCCCCC1 685946932 537820046 /nfs/dbraw/zinc/82/00/46/537820046.db2.gz GXCNFAUKSKJOPP-LLVKDONJSA-N 1 1 184.327 1.894 10 0 ADAEMO CC[NH2+]C[C@@H]1NCC[C@H]2CCCC[C@@H]21 685947397 537820288 /nfs/dbraw/zinc/82/02/88/537820288.db2.gz MSAWJBSQDQKWEA-WOPDTQHZSA-N 1 1 196.338 1.764 10 0 ADAEMO CCNC[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 685947397 537820295 /nfs/dbraw/zinc/82/02/95/537820295.db2.gz MSAWJBSQDQKWEA-WOPDTQHZSA-N 1 1 196.338 1.764 10 0 ADAEMO CC[NH2+]C[C@@H]1NCC[C@@H]2CCCC[C@H]21 685947393 537820400 /nfs/dbraw/zinc/82/04/00/537820400.db2.gz MSAWJBSQDQKWEA-TUAOUCFPSA-N 1 1 196.338 1.764 10 0 ADAEMO CCNC[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]21 685947393 537820405 /nfs/dbraw/zinc/82/04/05/537820405.db2.gz MSAWJBSQDQKWEA-TUAOUCFPSA-N 1 1 196.338 1.764 10 0 ADAEMO CC[NH2+]C[C@@H]1NCC[C@H]2CCCC[C@H]21 685947394 537821001 /nfs/dbraw/zinc/82/10/01/537821001.db2.gz MSAWJBSQDQKWEA-UTUOFQBUSA-N 1 1 196.338 1.764 10 0 ADAEMO CCNC[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 685947394 537821005 /nfs/dbraw/zinc/82/10/05/537821005.db2.gz MSAWJBSQDQKWEA-UTUOFQBUSA-N 1 1 196.338 1.764 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1CCNC[C@H]1F 685948396 537821644 /nfs/dbraw/zinc/82/16/44/537821644.db2.gz MCZNRCPWPDQIOV-RKDXNWHRSA-N 1 1 174.263 1.028 10 0 ADAEMO CCCN(C)[C@@H]1CC[NH2+]C[C@H]1F 685948396 537821648 /nfs/dbraw/zinc/82/16/48/537821648.db2.gz MCZNRCPWPDQIOV-RKDXNWHRSA-N 1 1 174.263 1.028 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1CCNC[C@@H]1F 685948394 537821759 /nfs/dbraw/zinc/82/17/59/537821759.db2.gz MCZNRCPWPDQIOV-DTWKUNHWSA-N 1 1 174.263 1.028 10 0 ADAEMO CCCN(C)[C@@H]1CC[NH2+]C[C@@H]1F 685948394 537821767 /nfs/dbraw/zinc/82/17/67/537821767.db2.gz MCZNRCPWPDQIOV-DTWKUNHWSA-N 1 1 174.263 1.028 10 0 ADAEMO CCC[N@@H+](C)[C@H]1CCNC[C@H]1F 685948393 537821860 /nfs/dbraw/zinc/82/18/60/537821860.db2.gz MCZNRCPWPDQIOV-BDAKNGLRSA-N 1 1 174.263 1.028 10 0 ADAEMO CCCN(C)[C@H]1CC[NH2+]C[C@H]1F 685948393 537821869 /nfs/dbraw/zinc/82/18/69/537821869.db2.gz MCZNRCPWPDQIOV-BDAKNGLRSA-N 1 1 174.263 1.028 10 0 ADAEMO CCCN(C)[C@H]1CC[NH2+]C[C@@H]1F 685948395 537822238 /nfs/dbraw/zinc/82/22/38/537822238.db2.gz MCZNRCPWPDQIOV-IUCAKERBSA-N 1 1 174.263 1.028 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1[C@@H]1CC[C@H]2CC[C@H]21 685948456 537822954 /nfs/dbraw/zinc/82/29/54/537822954.db2.gz OMCLAAZHEVJWPO-DDHJBXDOSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@@H]1C[C@@H](C)CC([NH3+])(C2=NCCN2)C1 685948121 537822991 /nfs/dbraw/zinc/82/29/91/537822991.db2.gz YFEUNLPJNBONOU-RKDXNWHRSA-N 1 1 195.310 1.142 10 0 ADAEMO CNC[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]21 685948143 537823267 /nfs/dbraw/zinc/82/32/67/537823267.db2.gz YSZUPQIOFTUPHE-AXFHLTTASA-N 1 1 182.311 1.374 10 0 ADAEMO C[NH2+]C[C@@H]1NCC[C@@H]2CCCC[C@H]21 685948143 537823274 /nfs/dbraw/zinc/82/32/74/537823274.db2.gz YSZUPQIOFTUPHE-AXFHLTTASA-N 1 1 182.311 1.374 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1[C@@H]1CC[C@@H]2CC[C@H]21 685948459 537823405 /nfs/dbraw/zinc/82/34/05/537823405.db2.gz OMCLAAZHEVJWPO-WRWGMCAJSA-N 1 1 194.322 1.469 10 0 ADAEMO COC[C@H](C)[NH2+]Cc1nc(C)c(C)o1 37909202 537823547 /nfs/dbraw/zinc/82/35/47/537823547.db2.gz BDGAVDUFKKRNKP-ZETCQYMHSA-N 1 1 198.266 1.416 10 0 ADAEMO C[C@H]1C[C@H](C)CC([NH3+])(C2=NCCN2)C1 685948120 537823548 /nfs/dbraw/zinc/82/35/48/537823548.db2.gz YFEUNLPJNBONOU-IUCAKERBSA-N 1 1 195.310 1.142 10 0 ADAEMO CNC[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 685948146 537823854 /nfs/dbraw/zinc/82/38/54/537823854.db2.gz YSZUPQIOFTUPHE-VWYCJHECSA-N 1 1 182.311 1.374 10 0 ADAEMO C[NH2+]C[C@@H]1NCC[C@H]2CCCC[C@@H]21 685948146 537823861 /nfs/dbraw/zinc/82/38/61/537823861.db2.gz YSZUPQIOFTUPHE-VWYCJHECSA-N 1 1 182.311 1.374 10 0 ADAEMO CC(C)C[C@H]([NH3+])CN(C)CC1CC1 37925730 537823920 /nfs/dbraw/zinc/82/39/20/537823920.db2.gz CCGYBOVRMBZFAG-NSHDSACASA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)C[C@H](N)C[N@H+](C)CC1CC1 37925730 537823932 /nfs/dbraw/zinc/82/39/32/537823932.db2.gz CCGYBOVRMBZFAG-NSHDSACASA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)C[C@H](N)C[N@@H+](C)CC1CC1 37925730 537823938 /nfs/dbraw/zinc/82/39/38/537823938.db2.gz CCGYBOVRMBZFAG-NSHDSACASA-N 1 1 184.327 1.702 10 0 ADAEMO CNC[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]21 685948144 537824114 /nfs/dbraw/zinc/82/41/14/537824114.db2.gz YSZUPQIOFTUPHE-DCAQKATOSA-N 1 1 182.311 1.374 10 0 ADAEMO C[NH2+]C[C@@H]1NCC[C@@H]2CCCC[C@@H]21 685948144 537824121 /nfs/dbraw/zinc/82/41/21/537824121.db2.gz YSZUPQIOFTUPHE-DCAQKATOSA-N 1 1 182.311 1.374 10 0 ADAEMO CNC[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 685948145 537824137 /nfs/dbraw/zinc/82/41/37/537824137.db2.gz YSZUPQIOFTUPHE-MXWKQRLJSA-N 1 1 182.311 1.374 10 0 ADAEMO C[NH2+]C[C@@H]1NCC[C@H]2CCCC[C@H]21 685948145 537824138 /nfs/dbraw/zinc/82/41/38/537824138.db2.gz YSZUPQIOFTUPHE-MXWKQRLJSA-N 1 1 182.311 1.374 10 0 ADAEMO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H]1C 37911197 537824202 /nfs/dbraw/zinc/82/42/02/537824202.db2.gz SKONJNPVIMQPCM-WDEREUQCSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H]1C 37911197 537824210 /nfs/dbraw/zinc/82/42/10/537824210.db2.gz SKONJNPVIMQPCM-WDEREUQCSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@@H]([NH3+])CN1CCC[C@@H]1C 37911197 537824217 /nfs/dbraw/zinc/82/42/17/537824217.db2.gz SKONJNPVIMQPCM-WDEREUQCSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1C[C@@H](C)C[C@]([NH3+])(C2=NCCN2)C1 685948119 537824293 /nfs/dbraw/zinc/82/42/93/537824293.db2.gz YFEUNLPJNBONOU-DOFRTFSJSA-N 1 1 195.310 1.142 10 0 ADAEMO COC[C@@H](C)[NH2+]Cc1nc(C)c(C)o1 37909203 537824344 /nfs/dbraw/zinc/82/43/44/537824344.db2.gz BDGAVDUFKKRNKP-SSDOTTSWSA-N 1 1 198.266 1.416 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1[C@@H]1CC[C@H]2CC[C@@H]21 685948458 537824405 /nfs/dbraw/zinc/82/44/05/537824405.db2.gz OMCLAAZHEVJWPO-WISYIIOYSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1[C@@H]1CC[C@@H]2CC[C@@H]21 685948457 537824549 /nfs/dbraw/zinc/82/45/49/537824549.db2.gz OMCLAAZHEVJWPO-NOOOWODRSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H]3CC[C@@H]32)CCN1 685948975 537824748 /nfs/dbraw/zinc/82/47/48/537824748.db2.gz YUEMTISMWWACEN-WISYIIOYSA-N 1 1 194.322 1.469 10 0 ADAEMO OC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3CC[C@@H]32)C1 685948592 537824964 /nfs/dbraw/zinc/82/49/64/537824964.db2.gz QRZZLPSMYGSSJB-NOOOWODRSA-N 1 1 195.306 1.489 10 0 ADAEMO C[N@@H+](CCO)[C@@H]1CC[C@H]2CC[C@H]21 685948896 537825069 /nfs/dbraw/zinc/82/50/69/537825069.db2.gz VTEKRSNPVPDYFJ-OPRDCNLKSA-N 1 1 169.268 1.099 10 0 ADAEMO CC[N@@H+](CCO)[C@@H]1CC[C@H]2CC[C@@H]21 685948567 537825149 /nfs/dbraw/zinc/82/51/49/537825149.db2.gz QKDWIRUVVYGXFM-OUAUKWLOSA-N 1 1 183.295 1.489 10 0 ADAEMO C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@H]2CC[C@@H]21 685948625 537825168 /nfs/dbraw/zinc/82/51/68/537825168.db2.gz RBSYLEQAGFAABQ-ZRUFSTJUSA-N 1 1 183.295 1.488 10 0 ADAEMO CC[N@@H+](CCO)[C@@H]1CC[C@@H]2CC[C@@H]21 685948562 537825236 /nfs/dbraw/zinc/82/52/36/537825236.db2.gz QKDWIRUVVYGXFM-GARJFASQSA-N 1 1 183.295 1.489 10 0 ADAEMO Cc1cccc(NCc2cn[nH]c2)[nH+]1 38006464 537825244 /nfs/dbraw/zinc/82/52/44/537825244.db2.gz KLXQOTOIMCFTQN-UHFFFAOYSA-N 1 1 188.234 1.725 10 0 ADAEMO CC[N@@H+](CCO)[C@@H]1CC[C@H]2CC[C@H]21 685948563 537825295 /nfs/dbraw/zinc/82/52/95/537825295.db2.gz QKDWIRUVVYGXFM-GMTAPVOTSA-N 1 1 183.295 1.489 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1CCNC[C@@H]1F 685948931 537825430 /nfs/dbraw/zinc/82/54/30/537825430.db2.gz XCVBSGZGSCAZCK-VHSXEESVSA-N 1 1 188.290 1.418 10 0 ADAEMO CCCN(CC)[C@@H]1CC[NH2+]C[C@@H]1F 685948931 537825438 /nfs/dbraw/zinc/82/54/38/537825438.db2.gz XCVBSGZGSCAZCK-VHSXEESVSA-N 1 1 188.290 1.418 10 0 ADAEMO C1CN([C@@H]2CC[C@@H]3CC[C@@H]32)CC[NH2+]1 685948983 537825530 /nfs/dbraw/zinc/82/55/30/537825530.db2.gz ZOPIPDMGACLKJM-GARJFASQSA-N 1 1 180.295 1.080 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1CCNC[C@H]1F 685948929 537825590 /nfs/dbraw/zinc/82/55/90/537825590.db2.gz XCVBSGZGSCAZCK-NXEZZACHSA-N 1 1 188.290 1.418 10 0 ADAEMO CCCN(CC)[C@@H]1CC[NH2+]C[C@H]1F 685948929 537825592 /nfs/dbraw/zinc/82/55/92/537825592.db2.gz XCVBSGZGSCAZCK-NXEZZACHSA-N 1 1 188.290 1.418 10 0 ADAEMO Cc1ccc(NCc2cn[nH]c2)[nH+]c1 38006615 537825560 /nfs/dbraw/zinc/82/55/60/537825560.db2.gz LUVVXXFMFXCBFU-UHFFFAOYSA-N 1 1 188.234 1.725 10 0 ADAEMO C1CN([C@@H]2CC[C@H]3CC[C@H]32)CC[NH2+]1 685948984 537825630 /nfs/dbraw/zinc/82/56/30/537825630.db2.gz ZOPIPDMGACLKJM-GMTAPVOTSA-N 1 1 180.295 1.080 10 0 ADAEMO C[N@@H+](CCO)[C@H]1CCOC12CCCC2 685949188 537825672 /nfs/dbraw/zinc/82/56/72/537825672.db2.gz LKMSUWCFXNMLMZ-JTQLQIEISA-N 1 1 199.294 1.012 10 0 ADAEMO CC[C@H](N)C[NH2+]C(C)(C)CC 685948661 537825751 /nfs/dbraw/zinc/82/57/51/537825751.db2.gz SKCLQCNCKOIFAB-QMMMGPOBSA-N 1 1 158.289 1.502 10 0 ADAEMO C[N@@H+](CCO)[C@@H]1CCOC12CCCC2 685949190 537825816 /nfs/dbraw/zinc/82/58/16/537825816.db2.gz LKMSUWCFXNMLMZ-SNVBAGLBSA-N 1 1 199.294 1.012 10 0 ADAEMO CC[N@@H+](CCO)[C@@H]1CC[C@@H]2CC[C@H]21 685948565 537825931 /nfs/dbraw/zinc/82/59/31/537825931.db2.gz QKDWIRUVVYGXFM-HBNTYKKESA-N 1 1 183.295 1.489 10 0 ADAEMO C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@H]2CC[C@H]21 685948621 537826143 /nfs/dbraw/zinc/82/61/43/537826143.db2.gz RBSYLEQAGFAABQ-LNFKQOIKSA-N 1 1 183.295 1.488 10 0 ADAEMO C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@@H]2CC[C@H]21 685948623 537826162 /nfs/dbraw/zinc/82/61/62/537826162.db2.gz RBSYLEQAGFAABQ-UKKRHICBSA-N 1 1 183.295 1.488 10 0 ADAEMO C[N@@H+](CCO)[C@@H]1CC[C@@H]2CC[C@H]21 685948891 537826219 /nfs/dbraw/zinc/82/62/19/537826219.db2.gz VTEKRSNPVPDYFJ-IVZWLZJFSA-N 1 1 169.268 1.099 10 0 ADAEMO C1CN([C@@H]2CC[C@@H]3CC[C@H]32)CC[NH2+]1 685948985 537826299 /nfs/dbraw/zinc/82/62/99/537826299.db2.gz ZOPIPDMGACLKJM-HBNTYKKESA-N 1 1 180.295 1.080 10 0 ADAEMO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H]1C 37911196 537826340 /nfs/dbraw/zinc/82/63/40/537826340.db2.gz SKONJNPVIMQPCM-GHMZBOCLSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H]1C 37911196 537826354 /nfs/dbraw/zinc/82/63/54/537826354.db2.gz SKONJNPVIMQPCM-GHMZBOCLSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@@H]([NH3+])CN1CCC[C@H]1C 37911196 537826361 /nfs/dbraw/zinc/82/63/61/537826361.db2.gz SKONJNPVIMQPCM-GHMZBOCLSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H]3CC[C@H]32)CCN1 685948973 537826475 /nfs/dbraw/zinc/82/64/75/537826475.db2.gz YUEMTISMWWACEN-DDHJBXDOSA-N 1 1 194.322 1.469 10 0 ADAEMO OC[C@@H]1CC[N@H+]([C@@H]2CC[C@H]3CC[C@@H]32)C1 685948593 537826502 /nfs/dbraw/zinc/82/65/02/537826502.db2.gz QRZZLPSMYGSSJB-WISYIIOYSA-N 1 1 195.306 1.489 10 0 ADAEMO CC[C@@H](N)C[NH2+]C(C)(C)CC 685948659 537826622 /nfs/dbraw/zinc/82/66/22/537826622.db2.gz SKCLQCNCKOIFAB-MRVPVSSYSA-N 1 1 158.289 1.502 10 0 ADAEMO C[N@@H+](CCO)[C@@H]1CC[C@@H]2CC[C@@H]21 685948895 537826649 /nfs/dbraw/zinc/82/66/49/537826649.db2.gz VTEKRSNPVPDYFJ-LPEHRKFASA-N 1 1 169.268 1.099 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]3CC[C@@H]32)CCN1 685948974 537826678 /nfs/dbraw/zinc/82/66/78/537826678.db2.gz YUEMTISMWWACEN-NOOOWODRSA-N 1 1 194.322 1.469 10 0 ADAEMO CCC[N@@H+](CC)[C@H]1CCNC[C@H]1F 685948932 537826823 /nfs/dbraw/zinc/82/68/23/537826823.db2.gz XCVBSGZGSCAZCK-ZJUUUORDSA-N 1 1 188.290 1.418 10 0 ADAEMO CCCN(CC)[C@H]1CC[NH2+]C[C@H]1F 685948932 537826826 /nfs/dbraw/zinc/82/68/26/537826826.db2.gz XCVBSGZGSCAZCK-ZJUUUORDSA-N 1 1 188.290 1.418 10 0 ADAEMO OC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3CC[C@H]32)C1 685948594 537826898 /nfs/dbraw/zinc/82/68/98/537826898.db2.gz QRZZLPSMYGSSJB-WRWGMCAJSA-N 1 1 195.306 1.489 10 0 ADAEMO C[N@@H+](CCO)[C@@H]1CC[C@H]2CC[C@@H]21 685948894 537826952 /nfs/dbraw/zinc/82/69/52/537826952.db2.gz VTEKRSNPVPDYFJ-KXUCPTDWSA-N 1 1 169.268 1.099 10 0 ADAEMO C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@@H]2CC[C@@H]21 685948624 537826989 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ZOPIPDMGACLKJM-OUAUKWLOSA-N 1 1 180.295 1.080 10 0 ADAEMO CCC[N@@H+](CC)[C@H]1CCNC[C@@H]1F 685948930 537827851 /nfs/dbraw/zinc/82/78/51/537827851.db2.gz XCVBSGZGSCAZCK-UWVGGRQHSA-N 1 1 188.290 1.418 10 0 ADAEMO CCCN(CC)[C@H]1CC[NH2+]C[C@@H]1F 685948930 537827859 /nfs/dbraw/zinc/82/78/59/537827859.db2.gz XCVBSGZGSCAZCK-UWVGGRQHSA-N 1 1 188.290 1.418 10 0 ADAEMO CC[NH2+]C[C@H](CN)c1cccc(C)c1 685949735 537828522 /nfs/dbraw/zinc/82/85/22/537828522.db2.gz WLHWPNFGFZSCHN-LBPRGKRZSA-N 1 1 192.306 1.647 10 0 ADAEMO CC[NH2+]C[C@@H](CN)c1cccc(C)c1 685949731 537830037 /nfs/dbraw/zinc/83/00/37/537830037.db2.gz WLHWPNFGFZSCHN-GFCCVEGCSA-N 1 1 192.306 1.647 10 0 ADAEMO C[N@@H+]1CC[C@H](N)C12CCCCC2 39473116 537832907 /nfs/dbraw/zinc/83/29/07/537832907.db2.gz ZFKRLBALRZBYCL-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO C[N@H+]1CC[C@H](N)C12CCCCC2 39473116 537832917 /nfs/dbraw/zinc/83/29/17/537832917.db2.gz ZFKRLBALRZBYCL-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO 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ADAEMO CCC(=O)c1cnc(C[NH3+])s1 685962537 537871833 /nfs/dbraw/zinc/87/18/33/537871833.db2.gz MEGFAPXWCSPCCO-UHFFFAOYSA-N 1 1 170.237 1.195 10 0 ADAEMO COC1(CCn2c[nH+]c(N)c2)CCC1 685964237 537873794 /nfs/dbraw/zinc/87/37/94/537873794.db2.gz UFVKPUOWVJOCCJ-UHFFFAOYSA-N 1 1 195.266 1.425 10 0 ADAEMO C=C(OCC)c1ccc(N)[nH+]c1C 685964867 537873825 /nfs/dbraw/zinc/87/38/25/537873825.db2.gz FJSZIXJCEBIODC-UHFFFAOYSA-N 1 1 178.235 1.979 10 0 ADAEMO Nc1cn(CCC[C@H]2CCCO2)c[nH+]1 685964249 537873950 /nfs/dbraw/zinc/87/39/50/537873950.db2.gz XRZZQFBJHZLORH-VIFPVBQESA-N 1 1 195.266 1.425 10 0 ADAEMO Nc1cn(CCC[C@@H]2CCCO2)c[nH+]1 685964248 537873989 /nfs/dbraw/zinc/87/39/89/537873989.db2.gz XRZZQFBJHZLORH-SECBINFHSA-N 1 1 195.266 1.425 10 0 ADAEMO Nc1cn(CCC2CCOCC2)c[nH+]1 685964169 537874703 /nfs/dbraw/zinc/87/47/03/537874703.db2.gz DNSVRNDEVJLOKP-UHFFFAOYSA-N 1 1 195.266 1.282 10 0 ADAEMO C=C(OCC)c1cc(N)cc[nH+]1 685965074 537875180 /nfs/dbraw/zinc/87/51/80/537875180.db2.gz NYNYWKKLIBBBFU-UHFFFAOYSA-N 1 1 164.208 1.671 10 0 ADAEMO C=C(OCC)c1ccc(C)[nH+]c1N 685965118 537875748 /nfs/dbraw/zinc/87/57/48/537875748.db2.gz PITLNEMPRIFDLP-UHFFFAOYSA-N 1 1 178.235 1.979 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CC1CC1 79684098 537875777 /nfs/dbraw/zinc/87/57/77/537875777.db2.gz QYZNJDZVSKCEBF-PSASIEDQSA-N 1 1 153.269 1.984 10 0 ADAEMO C[C@H]1C[C@@H]1C[N@@H+](C)CC1CC1 79684100 537876336 /nfs/dbraw/zinc/87/63/36/537876336.db2.gz QYZNJDZVSKCEBF-WCBMZHEXSA-N 1 1 153.269 1.984 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+](C)CC1CC1 79684103 537876900 /nfs/dbraw/zinc/87/69/00/537876900.db2.gz QYZNJDZVSKCEBF-SCZZXKLOSA-N 1 1 153.269 1.984 10 0 ADAEMO C=C(OCC)c1c[nH+]c(N)cc1C 685965242 537877349 /nfs/dbraw/zinc/87/73/49/537877349.db2.gz VQFGZBPMCLHLKW-UHFFFAOYSA-N 1 1 178.235 1.979 10 0 ADAEMO C[C@H]1C[C@H]1C[N@@H+](C)CC1CC1 79684108 537878543 /nfs/dbraw/zinc/87/85/43/537878543.db2.gz QYZNJDZVSKCEBF-WPRPVWTQSA-N 1 1 153.269 1.984 10 0 ADAEMO c1cc2c(s1)C1(COC1)[NH2+]CC2 712513136 537881616 /nfs/dbraw/zinc/88/16/16/537881616.db2.gz NGPUMFDYCYQVHJ-UHFFFAOYSA-N 1 1 181.260 1.119 10 0 ADAEMO CCCc1nnc(CC(C)(C)[NH3+])[nH]1 82770863 537886628 /nfs/dbraw/zinc/88/66/28/537886628.db2.gz LAAPRUWQHUVOPF-UHFFFAOYSA-N 1 1 182.271 1.037 10 0 ADAEMO CCCc1nc(CC(C)(C)[NH3+])n[nH]1 82770863 537886633 /nfs/dbraw/zinc/88/66/33/537886633.db2.gz LAAPRUWQHUVOPF-UHFFFAOYSA-N 1 1 182.271 1.037 10 0 ADAEMO C[C@H](O)C[N@@H+](C)Cc1ccnc(F)c1 725241286 537887738 /nfs/dbraw/zinc/88/77/38/537887738.db2.gz CTPZKDIXNMWTSX-QMMMGPOBSA-N 1 1 198.241 1.033 10 0 ADAEMO C[C@@H](O)C[N@@H+](C)Cc1ccnc(F)c1 725241284 537888868 /nfs/dbraw/zinc/88/88/68/537888868.db2.gz CTPZKDIXNMWTSX-MRVPVSSYSA-N 1 1 198.241 1.033 10 0 ADAEMO Cc1coc(C(=O)[C@H](C)[NH3+])c1 82842072 537888900 /nfs/dbraw/zinc/88/89/00/537888900.db2.gz LBJDSWDIFBHOBM-LURJTMIESA-N 1 1 153.181 1.118 10 0 ADAEMO CC(C)[NH2+][C@H]1C[C@@H]2CCCCN2C1 725241846 537890857 /nfs/dbraw/zinc/89/08/57/537890857.db2.gz SEQVGCMSWCTWPK-QWRGUYRKSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[NH2+][C@H]1C[C@H]2CCCCN2C1 725242003 537894026 /nfs/dbraw/zinc/89/40/26/537894026.db2.gz ZPIPTWNXECEKJQ-VHSXEESVSA-N 1 1 168.284 1.223 10 0 ADAEMO Cc1coc(C(=O)[C@@H](C)[NH3+])c1 82842071 537891286 /nfs/dbraw/zinc/89/12/86/537891286.db2.gz LBJDSWDIFBHOBM-ZCFIWIBFSA-N 1 1 153.181 1.118 10 0 ADAEMO CC[NH2+][C@@H]1C[C@H]2CCCCN2C1 725242001 537891718 /nfs/dbraw/zinc/89/17/18/537891718.db2.gz ZPIPTWNXECEKJQ-NXEZZACHSA-N 1 1 168.284 1.223 10 0 ADAEMO CCC[NH2+][C@@H]1C[C@@H]2CCCCN2C1 725241989 537891792 /nfs/dbraw/zinc/89/17/92/537891792.db2.gz YUFVYALGKDEKFV-MNOVXSKESA-N 1 1 182.311 1.613 10 0 ADAEMO Cc1csc(C)c1C(=O)C[NH3+] 83271226 537893375 /nfs/dbraw/zinc/89/33/75/537893375.db2.gz BIJQAJVZSZXTCP-UHFFFAOYSA-N 1 1 169.249 1.506 10 0 ADAEMO CC[N@@H+](CCO)Cc1ccnc(F)c1 725241824 537892234 /nfs/dbraw/zinc/89/22/34/537892234.db2.gz REJBWBRRODIKAX-UHFFFAOYSA-N 1 1 198.241 1.035 10 0 ADAEMO CCC[NH2+][C@H]1C[C@@H]2CCCCN2C1 725241990 537892822 /nfs/dbraw/zinc/89/28/22/537892822.db2.gz YUFVYALGKDEKFV-QWRGUYRKSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[NH2+][C@H]1C[C@@H]2CCCCN2C1 725242002 537892868 /nfs/dbraw/zinc/89/28/68/537892868.db2.gz ZPIPTWNXECEKJQ-UWVGGRQHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[NH2+][C@@H]1C[C@@H]2CCCCN2C1 725242004 537892930 /nfs/dbraw/zinc/89/29/30/537892930.db2.gz ZPIPTWNXECEKJQ-ZJUUUORDSA-N 1 1 168.284 1.223 10 0 ADAEMO CCC[NH2+][C@@H]1C[C@H]2CCCCN2C1 725241988 537893171 /nfs/dbraw/zinc/89/31/71/537893171.db2.gz YUFVYALGKDEKFV-GHMZBOCLSA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)[NH2+][C@@H]1C[C@H]2CCCCN2C1 725241844 537893484 /nfs/dbraw/zinc/89/34/84/537893484.db2.gz SEQVGCMSWCTWPK-GHMZBOCLSA-N 1 1 182.311 1.611 10 0 ADAEMO CC(C)[NH2+][C@H]1C[C@H]2CCCCN2C1 725241847 537893664 /nfs/dbraw/zinc/89/36/64/537893664.db2.gz SEQVGCMSWCTWPK-WDEREUQCSA-N 1 1 182.311 1.611 10 0 ADAEMO CC(C)[NH2+][C@@H]1C[C@@H]2CCCCN2C1 725241845 537893914 /nfs/dbraw/zinc/89/39/14/537893914.db2.gz SEQVGCMSWCTWPK-MNOVXSKESA-N 1 1 182.311 1.611 10 0 ADAEMO CCC[NH2+][C@H]1C[C@H]2CCCCN2C1 725241991 537894188 /nfs/dbraw/zinc/89/41/88/537894188.db2.gz YUFVYALGKDEKFV-WDEREUQCSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@@H]1CCC[C@H]1C 83087412 537894282 /nfs/dbraw/zinc/89/42/82/537894282.db2.gz YAUKDTCFJAFVOZ-OUAUKWLOSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@H]1CNCC[N@H+]1C1CCC1 83087226 537894653 /nfs/dbraw/zinc/89/46/53/537894653.db2.gz JTEJAKVKQGGDSM-LLVKDONJSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@H]1C[NH2+]CCN1C1CCC1 83087226 537894659 /nfs/dbraw/zinc/89/46/59/537894659.db2.gz JTEJAKVKQGGDSM-LLVKDONJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]([NH3+])C(=O)c1sccc1Cl 83277414 537894841 /nfs/dbraw/zinc/89/48/41/537894841.db2.gz DKIRCRCFZGTMPZ-BYPYZUCNSA-N 1 1 189.667 1.931 10 0 ADAEMO CC(C)(C)[C@@H]1CNCC[N@H+]1CC1CC1 82927126 537895453 /nfs/dbraw/zinc/89/54/53/537895453.db2.gz FGJXMVGOHXGWMO-NSHDSACASA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)(C)[C@@H]1C[NH2+]CCN1CC1CC1 82927126 537895460 /nfs/dbraw/zinc/89/54/60/537895460.db2.gz FGJXMVGOHXGWMO-NSHDSACASA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@H]1CCC[C@H]1C 83087409 537895526 /nfs/dbraw/zinc/89/55/26/537895526.db2.gz YAUKDTCFJAFVOZ-VWYCJHECSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)(C)[C@H]1C[NH2+]CCN1CC1CC1 82927128 537896185 /nfs/dbraw/zinc/89/61/85/537896185.db2.gz FGJXMVGOHXGWMO-LLVKDONJSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)(C)[C@H]1CNCC[N@H+]1CC1CC1 82927128 537896179 /nfs/dbraw/zinc/89/61/79/537896179.db2.gz FGJXMVGOHXGWMO-LLVKDONJSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H]([NH3+])C(=O)c1sccc1Cl 83277415 537896698 /nfs/dbraw/zinc/89/66/98/537896698.db2.gz DKIRCRCFZGTMPZ-SCSAIBSYSA-N 1 1 189.667 1.931 10 0 ADAEMO CC(C)[C@@H]1CNCC[N@H+]1C1CCC1 83087225 537896891 /nfs/dbraw/zinc/89/68/91/537896891.db2.gz JTEJAKVKQGGDSM-NSHDSACASA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@@H]1C[NH2+]CCN1C1CCC1 83087225 537896900 /nfs/dbraw/zinc/89/69/00/537896900.db2.gz JTEJAKVKQGGDSM-NSHDSACASA-N 1 1 182.311 1.469 10 0 ADAEMO Nc1cn(C[C@H]2CCCC[C@H]2O)c[nH+]1 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CC(C)OCC[N@H+]1CCC(=O)[C@H](C)C1 159210827 538027749 /nfs/dbraw/zinc/02/77/49/538027749.db2.gz YGLBILJEHKEAEH-SNVBAGLBSA-N 1 1 199.294 1.322 10 0 ADAEMO C[C@@H]1C[N@@H+](CCCCCO)CCC1=O 159232989 538028025 /nfs/dbraw/zinc/02/80/25/538028025.db2.gz VUNZDQNBNOAWNE-SNVBAGLBSA-N 1 1 199.294 1.060 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)CCC(F)(F)F 159136042 538028915 /nfs/dbraw/zinc/02/89/15/538028915.db2.gz JXTVQVKWLKWMGM-LURJTMIESA-N 1 1 185.189 1.251 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)CC1CCC1 159125318 538028984 /nfs/dbraw/zinc/02/89/84/538028984.db2.gz WIYCZNXLPFVRAK-QMMMGPOBSA-N 1 1 157.257 1.099 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)CCC1CC1 159143317 538029003 /nfs/dbraw/zinc/02/90/03/538029003.db2.gz OWGLIOFKMJBTGI-QMMMGPOBSA-N 1 1 157.257 1.099 10 0 ADAEMO CC(C)OCC[N@@H+]1CCC(=O)[C@@H](C)C1 159210958 538029024 /nfs/dbraw/zinc/02/90/24/538029024.db2.gz YGLBILJEHKEAEH-JTQLQIEISA-N 1 1 199.294 1.322 10 0 ADAEMO CC(C)OCC[N@H+]1CCC(=O)[C@@H](C)C1 159210958 538029027 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10 0 ADAEMO C[C@H]1C[C@@H](O)C[N@H+]1CCCCF 379310753 538337693 /nfs/dbraw/zinc/33/76/93/538337693.db2.gz ALHUFXOTTZBYFU-DTWKUNHWSA-N 1 1 175.247 1.191 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+](C)C(C)(C)CO 379311053 538338424 /nfs/dbraw/zinc/33/84/24/538338424.db2.gz FZPCVHCPSXKUTR-BDAKNGLRSA-N 1 1 171.284 1.345 10 0 ADAEMO C[C@@H]1C[C@H](O)C[N@H+]1CCCCF 379310752 538338487 /nfs/dbraw/zinc/33/84/87/538338487.db2.gz ALHUFXOTTZBYFU-BDAKNGLRSA-N 1 1 175.247 1.191 10 0 ADAEMO C[C@@H]1C[C@@H](O)C[N@H+]1CCCCF 379310755 538338587 /nfs/dbraw/zinc/33/85/87/538338587.db2.gz ALHUFXOTTZBYFU-RKDXNWHRSA-N 1 1 175.247 1.191 10 0 ADAEMO C[C@H]1C[C@@H]1C[N@@H+](C)C(C)(C)CO 379311054 538338802 /nfs/dbraw/zinc/33/88/02/538338802.db2.gz FZPCVHCPSXKUTR-DTWKUNHWSA-N 1 1 171.284 1.345 10 0 ADAEMO CN(CC(F)(F)C[NH3+])C1CCC1 379314482 538340282 /nfs/dbraw/zinc/34/02/82/538340282.db2.gz NQEJOYYTUYIKOZ-UHFFFAOYSA-N 1 1 178.226 1.065 10 0 ADAEMO CCC[N@H+]1CCC[C@@]1(CC)CO 379317121 538341086 /nfs/dbraw/zinc/34/10/86/538341086.db2.gz DGOHZEMRVHVRJU-JTQLQIEISA-N 1 1 171.284 1.633 10 0 ADAEMO CCC[N@H+]1CCC[C@]1(CC)CO 379317122 538341427 /nfs/dbraw/zinc/34/14/27/538341427.db2.gz DGOHZEMRVHVRJU-SNVBAGLBSA-N 1 1 171.284 1.633 10 0 ADAEMO CC[C@@H](C)[N@H+](C)Cc1cocn1 379317685 538341496 /nfs/dbraw/zinc/34/14/96/538341496.db2.gz GZLZSXOLQRXZJM-MRVPVSSYSA-N 1 1 168.240 1.905 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)Cc1cocn1 379317685 538341499 /nfs/dbraw/zinc/34/14/99/538341499.db2.gz GZLZSXOLQRXZJM-MRVPVSSYSA-N 1 1 168.240 1.905 10 0 ADAEMO CC(C)[N@H+](C)CCNC1CSC1 379317899 538341590 /nfs/dbraw/zinc/34/15/90/538341590.db2.gz IFXSRIXXGISFBH-UHFFFAOYSA-N 1 1 188.340 1.032 10 0 ADAEMO CC(C)[N@@H+](C)CCNC1CSC1 379317899 538341593 /nfs/dbraw/zinc/34/15/93/538341593.db2.gz IFXSRIXXGISFBH-UHFFFAOYSA-N 1 1 188.340 1.032 10 0 ADAEMO C[C@H](CNCC1(F)CC1)[NH+](C)C 379316867 538341787 /nfs/dbraw/zinc/34/17/87/538341787.db2.gz CEXCXZRQUJFXFI-MRVPVSSYSA-N 1 1 174.263 1.028 10 0 ADAEMO CC(C)OCC[N@H+]1[C@@H](C)C[C@H]1C 379316181 538342409 /nfs/dbraw/zinc/34/24/09/538342409.db2.gz XHRQZPLCTZLHTK-AOOOYVTPSA-N 1 1 171.284 1.894 10 0 ADAEMO CC[C@H](C)[N@H+](C)Cc1cocn1 379317686 538342638 /nfs/dbraw/zinc/34/26/38/538342638.db2.gz GZLZSXOLQRXZJM-QMMMGPOBSA-N 1 1 168.240 1.905 10 0 ADAEMO CC[C@H](C)[N@@H+](C)Cc1cocn1 379317686 538342640 /nfs/dbraw/zinc/34/26/40/538342640.db2.gz GZLZSXOLQRXZJM-QMMMGPOBSA-N 1 1 168.240 1.905 10 0 ADAEMO CC[N@@H+](C[C@H](C)COC)C1CC1 379322319 538343140 /nfs/dbraw/zinc/34/31/40/538343140.db2.gz IFECTGHAQDYYAG-VIFPVBQESA-N 1 1 171.284 1.753 10 0 ADAEMO CCOCC[N@@H+](C)C[C@@H]1C[C@@H]1C 379325113 538343489 /nfs/dbraw/zinc/34/34/89/538343489.db2.gz AXINVQXSDFAMEX-UWVGGRQHSA-N 1 1 171.284 1.611 10 0 ADAEMO FCCC[N@H+]1CC[C@@H](C(F)F)C1 379325265 538343942 /nfs/dbraw/zinc/34/39/42/538343942.db2.gz BOIPQLKAAHIVEH-SSDOTTSWSA-N 1 1 181.201 1.933 10 0 ADAEMO CC(C)=CC[NH2+]Cc1cocn1 379323226 538343999 /nfs/dbraw/zinc/34/39/99/538343999.db2.gz OMOZIEKOZPOAEF-UHFFFAOYSA-N 1 1 166.224 1.730 10 0 ADAEMO CCOCC[N@@H+](C)C[C@H]1C[C@H]1C 379325112 538344288 /nfs/dbraw/zinc/34/42/88/538344288.db2.gz AXINVQXSDFAMEX-NXEZZACHSA-N 1 1 171.284 1.611 10 0 ADAEMO CCOCC[N@@H+](C)C[C@@H]1C[C@H]1C 379325115 538344634 /nfs/dbraw/zinc/34/46/34/538344634.db2.gz AXINVQXSDFAMEX-ZJUUUORDSA-N 1 1 171.284 1.611 10 0 ADAEMO FCCC[N@H+]1CC[C@H](C(F)F)C1 379325266 538344722 /nfs/dbraw/zinc/34/47/22/538344722.db2.gz BOIPQLKAAHIVEH-ZETCQYMHSA-N 1 1 181.201 1.933 10 0 ADAEMO CC[N@@H+](C[C@@H](C)COC)C1CC1 379322318 538345052 /nfs/dbraw/zinc/34/50/52/538345052.db2.gz IFECTGHAQDYYAG-SECBINFHSA-N 1 1 171.284 1.753 10 0 ADAEMO C=CCN(CC)CC(F)(F)C[NH3+] 379321844 538345482 /nfs/dbraw/zinc/34/54/82/538345482.db2.gz FXYYSFZHQYLGKQ-UHFFFAOYSA-N 1 1 178.226 1.088 10 0 ADAEMO CCOCC[N@@H+](C)C[C@H]1C[C@@H]1C 379325114 538345822 /nfs/dbraw/zinc/34/58/22/538345822.db2.gz AXINVQXSDFAMEX-VHSXEESVSA-N 1 1 171.284 1.611 10 0 ADAEMO CC/C=C\CC[N@@H+](C)[C@H](C)CO 379326609 538347336 /nfs/dbraw/zinc/34/73/36/538347336.db2.gz ADSFYRJQKSWYIZ-WWQCOOJYSA-N 1 1 171.284 1.655 10 0 ADAEMO COC[C@@H](C)[NH2+]C(C)(C)C(F)F 379326303 538347324 /nfs/dbraw/zinc/34/73/24/538347324.db2.gz HHKSBTKQBDVCAX-ZCFIWIBFSA-N 1 1 181.226 1.655 10 0 ADAEMO CCC[C@@H]1CCC[N@@H+](CCO)C1 379326483 538347422 /nfs/dbraw/zinc/34/74/22/538347422.db2.gz IDYWVSBCKZBRMP-SNVBAGLBSA-N 1 1 171.284 1.491 10 0 ADAEMO C[N@@H+](CCCF)CC1(CO)CC1 379327681 538347470 /nfs/dbraw/zinc/34/74/70/538347470.db2.gz LVQKOIMZVSYYFH-UHFFFAOYSA-N 1 1 175.247 1.050 10 0 ADAEMO CCOCC[N@@H+](C)CC1(C)CC1 379326192 538347618 /nfs/dbraw/zinc/34/76/18/538347618.db2.gz GRQPTQOPEJUAFP-UHFFFAOYSA-N 1 1 171.284 1.755 10 0 ADAEMO CC/C=C/CC[N@@H+](C)[C@H](C)CO 379326605 538348314 /nfs/dbraw/zinc/34/83/14/538348314.db2.gz ADSFYRJQKSWYIZ-BRAIEQGRSA-N 1 1 171.284 1.655 10 0 ADAEMO CCC[C@H]1CCC[N@@H+](CCO)C1 379326482 538348326 /nfs/dbraw/zinc/34/83/26/538348326.db2.gz IDYWVSBCKZBRMP-JTQLQIEISA-N 1 1 171.284 1.491 10 0 ADAEMO COC[C@H](C)[NH2+]C(C)(C)C(F)F 379326302 538348651 /nfs/dbraw/zinc/34/86/51/538348651.db2.gz HHKSBTKQBDVCAX-LURJTMIESA-N 1 1 181.226 1.655 10 0 ADAEMO C[N@H+](Cc1cnc[nH]1)CC1CC1 379325513 538348763 /nfs/dbraw/zinc/34/87/63/538348763.db2.gz CQNYYROYIZDTDV-UHFFFAOYSA-N 1 1 165.240 1.252 10 0 ADAEMO C[N@@H+](Cc1c[nH]cn1)CC1CC1 379325513 538348768 /nfs/dbraw/zinc/34/87/68/538348768.db2.gz CQNYYROYIZDTDV-UHFFFAOYSA-N 1 1 165.240 1.252 10 0 ADAEMO C[N@H+](Cc1c[nH]cn1)CC1CC1 379325513 538348774 /nfs/dbraw/zinc/34/87/74/538348774.db2.gz CQNYYROYIZDTDV-UHFFFAOYSA-N 1 1 165.240 1.252 10 0 ADAEMO COCCC[N@@H+](C)CC1(F)CC1 379328928 538349165 /nfs/dbraw/zinc/34/91/65/538349165.db2.gz RSWMIMQLFVXSKS-UHFFFAOYSA-N 1 1 175.247 1.457 10 0 ADAEMO CO[C@H]1CC[N@@H+](CCCCF)C1 379332100 538350038 /nfs/dbraw/zinc/35/00/38/538350038.db2.gz HMYFRRXBXMQKML-VIFPVBQESA-N 1 1 175.247 1.457 10 0 ADAEMO CCOC1CC(C[N@@H+](C)CC)C1 379332320 538350318 /nfs/dbraw/zinc/35/03/18/538350318.db2.gz HFSRBERYQQNFPV-UHFFFAOYSA-N 1 1 171.284 1.753 10 0 ADAEMO COC[C@H](C)C[N@H+]1[C@@H](C)C[C@H]1C 379330561 538350699 /nfs/dbraw/zinc/35/06/99/538350699.db2.gz BXGDZUSJCURZAV-BBBLOLIVSA-N 1 1 171.284 1.752 10 0 ADAEMO COC[C@@H](C)C[N@H+]1[C@@H](C)C[C@H]1C 379330562 538350813 /nfs/dbraw/zinc/35/08/13/538350813.db2.gz BXGDZUSJCURZAV-LPEHRKFASA-N 1 1 171.284 1.752 10 0 ADAEMO C[N@@H+](CCCO)C1(C)CCCC1 379331145 538350883 /nfs/dbraw/zinc/35/08/83/538350883.db2.gz CETDHNVZXVRJBF-UHFFFAOYSA-N 1 1 171.284 1.633 10 0 ADAEMO CO[C@H]1C[C@@H]([N@@H+](C)CCCF)C1 379331676 538350980 /nfs/dbraw/zinc/35/09/80/538350980.db2.gz DWEFGBAMZPORPI-DTORHVGOSA-N 1 1 175.247 1.455 10 0 ADAEMO COC[C@H](C)C[N@@H+](C)C1CCC1 379332959 538351200 /nfs/dbraw/zinc/35/12/00/538351200.db2.gz IQYXULLBJXRMLE-SECBINFHSA-N 1 1 171.284 1.753 10 0 ADAEMO COC[C@@H](C)C[N@@H+](C)C1CCC1 379332960 538351257 /nfs/dbraw/zinc/35/12/57/538351257.db2.gz IQYXULLBJXRMLE-VIFPVBQESA-N 1 1 171.284 1.753 10 0 ADAEMO CO[C@@H](C)C[N@@H+](C)CC1(F)CC1 379332188 538351492 /nfs/dbraw/zinc/35/14/92/538351492.db2.gz GNBCWGVMGDZJNJ-QMMMGPOBSA-N 1 1 175.247 1.455 10 0 ADAEMO CC[N@@H+](C)CC1(OC)CCCC1 379330655 538352417 /nfs/dbraw/zinc/35/24/17/538352417.db2.gz XYFHRYMGXZMNLA-UHFFFAOYSA-N 1 1 171.284 1.897 10 0 ADAEMO C[C@H](O)C[N@@H+](C)CCCCCF 379331139 538352465 /nfs/dbraw/zinc/35/24/65/538352465.db2.gz CEGRSKFVBPQROY-VIFPVBQESA-N 1 1 177.263 1.439 10 0 ADAEMO COCC[N@@H+](C)CC1(C)CCC1 379331122 538352511 /nfs/dbraw/zinc/35/25/11/538352511.db2.gz ZYFHVOGQYUGJSL-UHFFFAOYSA-N 1 1 171.284 1.755 10 0 ADAEMO CO[C@H](C)C[N@@H+](C)CC1(F)CC1 379332186 538352593 /nfs/dbraw/zinc/35/25/93/538352593.db2.gz GNBCWGVMGDZJNJ-MRVPVSSYSA-N 1 1 175.247 1.455 10 0 ADAEMO C[N@@H+](CCCCF)[C@@H]1CCOC1 379338261 538353681 /nfs/dbraw/zinc/35/36/81/538353681.db2.gz GXGNAGVEEMPHEE-SECBINFHSA-N 1 1 175.247 1.457 10 0 ADAEMO C[NH+](C)C(C)(C)CNC1CSC1 379334442 538354135 /nfs/dbraw/zinc/35/41/35/538354135.db2.gz MPIWKIIBPPOYMV-UHFFFAOYSA-N 1 1 188.340 1.032 10 0 ADAEMO C[N@@H+](CCCCF)[C@H]1CCOC1 379338262 538354378 /nfs/dbraw/zinc/35/43/78/538354378.db2.gz GXGNAGVEEMPHEE-VIFPVBQESA-N 1 1 175.247 1.457 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)C[C@H]1CCSC1 379335090 538355035 /nfs/dbraw/zinc/35/50/35/538355035.db2.gz RJKTUGFMTAXEJA-DTWKUNHWSA-N 1 1 189.324 1.052 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)C[C@@H]1CCSC1 379335091 538355067 /nfs/dbraw/zinc/35/50/67/538355067.db2.gz RJKTUGFMTAXEJA-IUCAKERBSA-N 1 1 189.324 1.052 10 0 ADAEMO CCC[N@@H+](CC(C)C)C[C@H](C)CO 379344475 538357472 /nfs/dbraw/zinc/35/74/72/538357472.db2.gz ABCUOYORDGUSJI-NSHDSACASA-N 1 1 187.327 1.983 10 0 ADAEMO CCC[N@@H+](CC(C)C)C[C@@H](C)CO 379344474 538358529 /nfs/dbraw/zinc/35/85/29/538358529.db2.gz ABCUOYORDGUSJI-LLVKDONJSA-N 1 1 187.327 1.983 10 0 ADAEMO CCC[N@@H+](CC)Cc1ncccn1 379353366 538359541 /nfs/dbraw/zinc/35/95/41/538359541.db2.gz FCLHIWNPGCRZQB-UHFFFAOYSA-N 1 1 179.267 1.709 10 0 ADAEMO Cc1nccnc1[C@H](C)[NH2+]CCF 379355042 538360359 /nfs/dbraw/zinc/36/03/59/538360359.db2.gz KGUIFMOAONEJMA-ZETCQYMHSA-N 1 1 183.230 1.405 10 0 ADAEMO Cc1nccnc1[C@@H](C)[NH2+]CCF 379355041 538360551 /nfs/dbraw/zinc/36/05/51/538360551.db2.gz KGUIFMOAONEJMA-SSDOTTSWSA-N 1 1 183.230 1.405 10 0 ADAEMO CCCn1cc(C[NH2+]CCF)cn1 379357234 538360638 /nfs/dbraw/zinc/36/06/38/538360638.db2.gz QWRDEIJUCJRBKT-UHFFFAOYSA-N 1 1 185.246 1.352 10 0 ADAEMO CCOCC[N@@H+]1CC(C)=C[C@H](C)C1 379363185 538362384 /nfs/dbraw/zinc/36/23/84/538362384.db2.gz JILYHLKOUHZHCH-JTQLQIEISA-N 1 1 183.295 1.921 10 0 ADAEMO CC[N@@H+](C)Cc1cnn(C(C)C)c1 379360401 538363714 /nfs/dbraw/zinc/36/37/14/538363714.db2.gz BDPWSVUUFLAJRG-UHFFFAOYSA-N 1 1 181.283 1.916 10 0 ADAEMO CCOCC[N@@H+]1CC(C)=C[C@@H](C)C1 379363187 538365118 /nfs/dbraw/zinc/36/51/18/538365118.db2.gz JILYHLKOUHZHCH-SNVBAGLBSA-N 1 1 183.295 1.921 10 0 ADAEMO CC1(C[N@H+]2CC[C@@H](CCO)C2)CC1 379367821 538365824 /nfs/dbraw/zinc/36/58/24/538365824.db2.gz MWXCJIMGRXFFMO-JTQLQIEISA-N 1 1 183.295 1.491 10 0 ADAEMO FC(F)(F)CC[NH2+]Cc1cocn1 379367380 538366584 /nfs/dbraw/zinc/36/65/84/538366584.db2.gz UUEWXSRRLRSBSW-UHFFFAOYSA-N 1 1 194.156 1.717 10 0 ADAEMO C[N@@H+](CCCCCO)CC1(F)CC1 379366328 538367210 /nfs/dbraw/zinc/36/72/10/538367210.db2.gz RLLGYEVZPHERRH-UHFFFAOYSA-N 1 1 189.274 1.583 10 0 ADAEMO CC1(C[N@H+]2CC[C@H](CCO)C2)CC1 379367822 538368456 /nfs/dbraw/zinc/36/84/56/538368456.db2.gz MWXCJIMGRXFFMO-SNVBAGLBSA-N 1 1 183.295 1.491 10 0 ADAEMO CCOCCO[C@H]1CC[N@@H+](CC)C1 379369334 538369141 /nfs/dbraw/zinc/36/91/41/538369141.db2.gz DOCOFBIVZASHHF-JTQLQIEISA-N 1 1 187.283 1.134 10 0 ADAEMO COC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 379378650 538370561 /nfs/dbraw/zinc/37/05/61/538370561.db2.gz ANLKTOYSBNNTDQ-MXWKQRLJSA-N 1 1 185.311 1.857 10 0 ADAEMO COC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 379378645 538371823 /nfs/dbraw/zinc/37/18/23/538371823.db2.gz ANLKTOYSBNNTDQ-GARJFASQSA-N 1 1 185.311 1.857 10 0 ADAEMO CC[C@H](C)CN(C)CC(F)(F)C[NH3+] 379381180 538372887 /nfs/dbraw/zinc/37/28/87/538372887.db2.gz CTVUODPOOIBMGH-QMMMGPOBSA-N 1 1 194.269 1.558 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1CCOCC1CC1 379381833 538373009 /nfs/dbraw/zinc/37/30/09/538373009.db2.gz DGCNWNAIVRQBKJ-AOOOYVTPSA-N 1 1 183.295 1.896 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CC[C@H](CCO)C1 379378931 538373324 /nfs/dbraw/zinc/37/33/24/538373324.db2.gz ATFOOGKVAHBBOA-GHMZBOCLSA-N 1 1 185.311 1.735 10 0 ADAEMO Cc1noc([C@H](C)[NH2+]CCCF)n1 379379796 538374046 /nfs/dbraw/zinc/37/40/46/538374046.db2.gz BJTGODJLDSJYSV-LURJTMIESA-N 1 1 187.218 1.388 10 0 ADAEMO COC[C@H](C)[NH2+][C@H]1CCCC1(F)F 379379372 538374133 /nfs/dbraw/zinc/37/41/33/538374133.db2.gz AWSPZFIFDHVPAS-YUMQZZPRSA-N 1 1 193.237 1.799 10 0 ADAEMO CC[C@@H](C)CN(C)CC(F)(F)C[NH3+] 379381179 538374243 /nfs/dbraw/zinc/37/42/43/538374243.db2.gz CTVUODPOOIBMGH-MRVPVSSYSA-N 1 1 194.269 1.558 10 0 ADAEMO Cc1noc([C@@H](C)[NH2+]CCCF)n1 379379797 538374358 /nfs/dbraw/zinc/37/43/58/538374358.db2.gz BJTGODJLDSJYSV-ZCFIWIBFSA-N 1 1 187.218 1.388 10 0 ADAEMO COC[C@@H](C)[NH2+][C@H]1CCCC1(F)F 379379370 538374465 /nfs/dbraw/zinc/37/44/65/538374465.db2.gz AWSPZFIFDHVPAS-SFYZADRCSA-N 1 1 193.237 1.799 10 0 ADAEMO COC[C@@H](C)[NH2+][C@@H]1CCCC1(F)F 379379367 538374575 /nfs/dbraw/zinc/37/45/75/538374575.db2.gz AWSPZFIFDHVPAS-HTQZYQBOSA-N 1 1 193.237 1.799 10 0 ADAEMO COC[C@H](C)[NH2+][C@@H]1CCCC1(F)F 379379369 538374705 /nfs/dbraw/zinc/37/47/05/538374705.db2.gz AWSPZFIFDHVPAS-JGVFFNPUSA-N 1 1 193.237 1.799 10 0 ADAEMO COCC1([N@@H+](C)CCCCF)CC1 379379734 538375109 /nfs/dbraw/zinc/37/51/09/538375109.db2.gz BGNLVDKBTBOSAC-UHFFFAOYSA-N 1 1 189.274 1.847 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CC[C@@H](CCO)C1 379378933 538375295 /nfs/dbraw/zinc/37/52/95/538375295.db2.gz ATFOOGKVAHBBOA-MNOVXSKESA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CC[C@H](CCO)C1 379378935 538375347 /nfs/dbraw/zinc/37/53/47/538375347.db2.gz ATFOOGKVAHBBOA-WDEREUQCSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[N@H+](Cc1ncccn1)C1CC1 379379845 538375750 /nfs/dbraw/zinc/37/57/50/538375750.db2.gz CPRYDYSVGQFRDM-UHFFFAOYSA-N 1 1 177.251 1.461 10 0 ADAEMO CC[N@@H+](Cc1ncccn1)C1CC1 379379845 538375753 /nfs/dbraw/zinc/37/57/53/538375753.db2.gz CPRYDYSVGQFRDM-UHFFFAOYSA-N 1 1 177.251 1.461 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CC[C@@H](CCO)C1 379378934 538375843 /nfs/dbraw/zinc/37/58/43/538375843.db2.gz ATFOOGKVAHBBOA-QWRGUYRKSA-N 1 1 185.311 1.735 10 0 ADAEMO COCCC[N@H+]1CCCC2(CC2)C1 379382102 538376653 /nfs/dbraw/zinc/37/66/53/538376653.db2.gz DQEPYWDCLJPXHZ-UHFFFAOYSA-N 1 1 183.295 1.899 10 0 ADAEMO CC[N@@H+](CCCO)CC1(C)CCC1 379382812 538376967 /nfs/dbraw/zinc/37/69/67/538376967.db2.gz JMWNIOOQVQYNBD-UHFFFAOYSA-N 1 1 185.311 1.881 10 0 ADAEMO C[C@H]1CC[N@@H+](CCCCO)C[C@H]1F 379382240 538377089 /nfs/dbraw/zinc/37/70/89/538377089.db2.gz IKPGWDMRVDZYOB-VHSXEESVSA-N 1 1 189.274 1.439 10 0 ADAEMO C[C@@H]1CC[N@@H+](CCCCO)C[C@H]1F 379382238 538377775 /nfs/dbraw/zinc/37/77/75/538377775.db2.gz IKPGWDMRVDZYOB-NXEZZACHSA-N 1 1 189.274 1.439 10 0 ADAEMO C[C@H]1CC[N@@H+](CCCCO)C[C@@H]1F 379382239 538378520 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538384635 /nfs/dbraw/zinc/38/46/35/538384635.db2.gz LYUFFFYFGQGIIY-UHFFFAOYSA-N 1 1 187.258 1.335 10 0 ADAEMO C[N@@H+](CCCO)C[C@@H]1CC=CCC1 379392991 538385640 /nfs/dbraw/zinc/38/56/40/538385640.db2.gz SYUXLQPVZSWBNL-LLVKDONJSA-N 1 1 183.295 1.657 10 0 ADAEMO C=CCN(CC(F)(F)C[NH3+])C1CC1 379392447 538385954 /nfs/dbraw/zinc/38/59/54/538385954.db2.gz RXADFASWLBPWAY-UHFFFAOYSA-N 1 1 190.237 1.231 10 0 ADAEMO C[N@@H+](CCCO)C[C@H]1CC=CCC1 379392992 538386062 /nfs/dbraw/zinc/38/60/62/538386062.db2.gz SYUXLQPVZSWBNL-NSHDSACASA-N 1 1 183.295 1.657 10 0 ADAEMO CCC(CC)N(C)CC(F)(F)C[NH3+] 379393465 538386173 /nfs/dbraw/zinc/38/61/73/538386173.db2.gz UUVMSUNOIVCPOD-UHFFFAOYSA-N 1 1 194.269 1.701 10 0 ADAEMO CC[C@H](C)N(CC)CC(F)(F)C[NH3+] 379392636 538386497 /nfs/dbraw/zinc/38/64/97/538386497.db2.gz SHBJDAKNLHJCGE-QMMMGPOBSA-N 1 1 194.269 1.701 10 0 ADAEMO CC[N@H+](Cc1cc[nH]n1)CC(C)C 379393048 538386662 /nfs/dbraw/zinc/38/66/62/538386662.db2.gz TWFWQWGMRKFPHM-UHFFFAOYSA-N 1 1 181.283 1.888 10 0 ADAEMO CC[C@@H](C)N(CC)CC(F)(F)C[NH3+] 379392635 538387308 /nfs/dbraw/zinc/38/73/08/538387308.db2.gz SHBJDAKNLHJCGE-MRVPVSSYSA-N 1 1 194.269 1.701 10 0 ADAEMO C[N@@H+](CC1CC(O)C1)CC1(F)CC1 379392396 538387942 /nfs/dbraw/zinc/38/79/42/538387942.db2.gz RUGVJZHQDUHHOF-UHFFFAOYSA-N 1 1 187.258 1.191 10 0 ADAEMO C[N@@H+](CCCCO)[C@@H]1C=CCCC1 379396929 538389002 /nfs/dbraw/zinc/38/90/02/538389002.db2.gz KVRQIGZMTMMCQT-LLVKDONJSA-N 1 1 183.295 1.799 10 0 ADAEMO COCCC[N@@H+](C)[C@H]1C[C@@H](OC)C1 379398643 538389177 /nfs/dbraw/zinc/38/91/77/538389177.db2.gz XGKAMDPLCRGAKF-AOOOYVTPSA-N 1 1 187.283 1.132 10 0 ADAEMO C[N@@H+](CCCCO)CC1(C)CCC1 379398633 538389792 /nfs/dbraw/zinc/38/97/92/538389792.db2.gz XAXJGMDDFHNJPD-UHFFFAOYSA-N 1 1 185.311 1.881 10 0 ADAEMO C[N@@H+](CCCCO)[C@H]1C=CCCC1 379396930 538390555 /nfs/dbraw/zinc/39/05/55/538390555.db2.gz KVRQIGZMTMMCQT-NSHDSACASA-N 1 1 183.295 1.799 10 0 ADAEMO CCCC[N@@H+](CCO)CC1(F)CC1 379396169 538390855 /nfs/dbraw/zinc/39/08/55/538390855.db2.gz 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ADAEMO CC[C@](C)(O)C[N@@H+](C)CCC1CC1 379401140 538393106 /nfs/dbraw/zinc/39/31/06/538393106.db2.gz KDJHVFCINKNYQA-NSHDSACASA-N 1 1 185.311 1.879 10 0 ADAEMO CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2C[C@H]2C)C1 379400469 538393967 /nfs/dbraw/zinc/39/39/67/538393967.db2.gz IRBAGSHQUSHFOM-YTWAJWBKSA-N 1 1 183.295 1.752 10 0 ADAEMO CC[C@@](C)(O)C[N@@H+](C)CCC1CC1 379401139 538394704 /nfs/dbraw/zinc/39/47/04/538394704.db2.gz KDJHVFCINKNYQA-LLVKDONJSA-N 1 1 185.311 1.879 10 0 ADAEMO C[N@@H+](CC[C@H]1CCCO1)CC1CC1 379404466 538395467 /nfs/dbraw/zinc/39/54/67/538395467.db2.gz ROIPWAUBQIMYSR-LLVKDONJSA-N 1 1 183.295 1.897 10 0 ADAEMO C=C(C)CN(CC)CC(F)(F)C[NH3+] 379405075 538395968 /nfs/dbraw/zinc/39/59/68/538395968.db2.gz SLSYAQYDOGPLND-UHFFFAOYSA-N 1 1 192.253 1.478 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1cc[nH]n1 379405311 538396461 /nfs/dbraw/zinc/39/64/61/538396461.db2.gz SZQYJVHZXRITMP-RKDXNWHRSA-N 1 1 179.267 1.498 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+](C)Cc1cc[nH]n1 379405308 538397171 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1.847 10 0 ADAEMO CCCC[N@H+]1CCO[C@@H](C2CC2)C1 388301863 538431233 /nfs/dbraw/zinc/43/12/33/538431233.db2.gz NXNSMZKQWOCKJC-LLVKDONJSA-N 1 1 183.295 1.897 10 0 ADAEMO CCC[C@H](C)[N@H+]1C[C@H](O)[C@H](CC)C1 388329499 538431475 /nfs/dbraw/zinc/43/14/75/538431475.db2.gz DEUQTJWPQMXWPC-AXFHLTTASA-N 1 1 185.311 1.878 10 0 ADAEMO COC[C@H](C)C[N@@H+]1CC=CCC1 388382437 538431534 /nfs/dbraw/zinc/43/15/34/538431534.db2.gz SJUQKWUXRCPWTG-SNVBAGLBSA-N 1 1 169.268 1.531 10 0 ADAEMO CCC[N@@H+](C)CC[C@H]1CCCO1 388388628 538431578 /nfs/dbraw/zinc/43/15/78/538431578.db2.gz AGOXFJRNSSMSIA-SNVBAGLBSA-N 1 1 171.284 1.897 10 0 ADAEMO CC[C@H](C)[N@@H+](C)C[C@@H](C)COC 388389890 538431592 /nfs/dbraw/zinc/43/15/92/538431592.db2.gz BAGUDMZSOITHJX-ZJUUUORDSA-N 1 1 173.300 1.999 10 0 ADAEMO C[N@@H+](CCCCF)C1(CO)CC1 388388767 538431767 /nfs/dbraw/zinc/43/17/67/538431767.db2.gz ACCSLORYEBLTEH-UHFFFAOYSA-N 1 1 175.247 1.193 10 0 ADAEMO CC[N@@H+](CCOC)CC1(F)CC1 388395688 538431821 /nfs/dbraw/zinc/43/18/21/538431821.db2.gz HXJJWBZCUMGBBM-UHFFFAOYSA-N 1 1 175.247 1.457 10 0 ADAEMO CC[C@H](C)[N@@H+](C)C[C@H](C)COC 388389885 538431851 /nfs/dbraw/zinc/43/18/51/538431851.db2.gz BAGUDMZSOITHJX-UWVGGRQHSA-N 1 1 173.300 1.999 10 0 ADAEMO C[N@@H+](CCCF)C[C@@H](O)C1CC1 388399084 538431923 /nfs/dbraw/zinc/43/19/23/538431923.db2.gz LPUUOFOSSXGPIU-SECBINFHSA-N 1 1 175.247 1.049 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)C[C@H](C)COC 388389889 538431954 /nfs/dbraw/zinc/43/19/54/538431954.db2.gz BAGUDMZSOITHJX-VHSXEESVSA-N 1 1 173.300 1.999 10 0 ADAEMO COC[C@@H](C)C[N@@H+]1CC=CCC1 388382436 538431956 /nfs/dbraw/zinc/43/19/56/538431956.db2.gz SJUQKWUXRCPWTG-JTQLQIEISA-N 1 1 169.268 1.531 10 0 ADAEMO CCC[N@@H+](C)CC[C@@H]1CCCO1 388388627 538431961 /nfs/dbraw/zinc/43/19/61/538431961.db2.gz AGOXFJRNSSMSIA-JTQLQIEISA-N 1 1 171.284 1.897 10 0 ADAEMO C[C@H](O)CC[N@@H+](C)CC1(F)CC1 388393169 538431987 /nfs/dbraw/zinc/43/19/87/538431987.db2.gz DWMISAUSCRTJRL-QMMMGPOBSA-N 1 1 175.247 1.191 10 0 ADAEMO OCCC[N@H+]1CC[C@@H](C2CC2)C1 388415600 538432018 /nfs/dbraw/zinc/43/20/18/538432018.db2.gz DXFJMVNAEJKCQW-SNVBAGLBSA-N 1 1 169.268 1.101 10 0 ADAEMO OCCC[N@H+]1CC[C@H](C2CC2)C1 388415599 538432020 /nfs/dbraw/zinc/43/20/20/538432020.db2.gz DXFJMVNAEJKCQW-JTQLQIEISA-N 1 1 169.268 1.101 10 0 ADAEMO C[N@@H+](CCCO)CCCCCF 388413864 538432400 /nfs/dbraw/zinc/43/24/00/538432400.db2.gz ZNSXXAQSAJOROG-UHFFFAOYSA-N 1 1 177.263 1.440 10 0 ADAEMO C=C(C)CN(C)CC(F)(F)C[NH3+] 388417412 538432421 /nfs/dbraw/zinc/43/24/21/538432421.db2.gz FQNYXLFYDYKXRP-UHFFFAOYSA-N 1 1 178.226 1.088 10 0 ADAEMO C[N@H+](CCCF)Cc1nccs1 388417137 538432448 /nfs/dbraw/zinc/43/24/48/538432448.db2.gz CDPIXKXSKATLEK-UHFFFAOYSA-N 1 1 188.271 1.935 10 0 ADAEMO C[N@@H+](CCCF)Cc1nccs1 388417137 538432450 /nfs/dbraw/zinc/43/24/50/538432450.db2.gz CDPIXKXSKATLEK-UHFFFAOYSA-N 1 1 188.271 1.935 10 0 ADAEMO CC[N@@H+](CCCCF)CCOC 388487972 538432618 /nfs/dbraw/zinc/43/26/18/538432618.db2.gz DTOIFJCRXCNVNR-UHFFFAOYSA-N 1 1 177.263 1.704 10 0 ADAEMO CCCC[N@H+]1C[C@@H](F)C[C@@H]1CO 388453029 538432693 /nfs/dbraw/zinc/43/26/93/538432693.db2.gz ZCRIRJCSMNDZJM-DTWKUNHWSA-N 1 1 175.247 1.191 10 0 ADAEMO CCCC[N@H+]1C[C@H](F)C[C@@H]1CO 388453030 538432822 /nfs/dbraw/zinc/43/28/22/538432822.db2.gz ZCRIRJCSMNDZJM-RKDXNWHRSA-N 1 1 175.247 1.191 10 0 ADAEMO C[N@@H+](CCCCO)CC1(F)CC1 388520245 538433149 /nfs/dbraw/zinc/43/31/49/538433149.db2.gz WWDCYOXGZRADIA-UHFFFAOYSA-N 1 1 175.247 1.193 10 0 ADAEMO CC[NH+](CC)Cc1ncccn1 388485165 538432997 /nfs/dbraw/zinc/43/29/97/538432997.db2.gz YXWAOGHMXDOMTQ-UHFFFAOYSA-N 1 1 165.240 1.318 10 0 ADAEMO CCOCCC[N@H+]1[C@@H](C)C[C@H]1C 388509947 538433152 /nfs/dbraw/zinc/43/31/52/538433152.db2.gz QMMYULXVNXPMAF-AOOOYVTPSA-N 1 1 171.284 1.896 10 0 ADAEMO C[N@@H+](CC1CC1)CC1(CO)CC1 388509941 538433181 /nfs/dbraw/zinc/43/31/81/538433181.db2.gz QMANNKCLZYRXCL-UHFFFAOYSA-N 1 1 169.268 1.101 10 0 ADAEMO CC(C)=CC[N@H+](C)CC1(CO)CC1 388574777 538433271 /nfs/dbraw/zinc/43/32/71/538433271.db2.gz AQTDCZONDTYYOB-UHFFFAOYSA-N 1 1 183.295 1.657 10 0 ADAEMO CC(C)CCN(C)CC(F)(F)C[NH3+] 388581086 538433413 /nfs/dbraw/zinc/43/34/13/538433413.db2.gz BJXMMMSUEATZDD-UHFFFAOYSA-N 1 1 194.269 1.558 10 0 ADAEMO CC[C@H](C)N(C)CC(F)(F)C[NH3+] 388506851 538433387 /nfs/dbraw/zinc/43/33/87/538433387.db2.gz PGLAVULNFQDDGH-ZETCQYMHSA-N 1 1 180.242 1.311 10 0 ADAEMO CC/C=C\CCN1CC[NH+](C)CC1 388591351 538433683 /nfs/dbraw/zinc/43/36/83/538433683.db2.gz AQSBKZBSCWJNMF-PLNGDYQASA-N 1 1 182.311 1.590 10 0 ADAEMO CC/C=C/CCN1CC[NH+](C)CC1 388591352 538433705 /nfs/dbraw/zinc/43/37/05/538433705.db2.gz AQSBKZBSCWJNMF-SNAWJCMRSA-N 1 1 182.311 1.590 10 0 ADAEMO CO[C@@H]1CCC[N@@H+](CCCCF)C1 388584082 538433906 /nfs/dbraw/zinc/43/39/06/538433906.db2.gz GUWIJYIKTZQEDV-SNVBAGLBSA-N 1 1 189.274 1.847 10 0 ADAEMO CC(C)C[NH2+]Cc1ncccc1O 388589861 538434251 /nfs/dbraw/zinc/43/42/51/538434251.db2.gz KVVQQWDWLZVSLP-UHFFFAOYSA-N 1 1 180.251 1.533 10 0 ADAEMO COCCCCC[N@@H+](C)CCCO 388613107 538434783 /nfs/dbraw/zinc/43/47/83/538434783.db2.gz ZRZLSGFDOZHFSH-UHFFFAOYSA-N 1 1 189.299 1.117 10 0 ADAEMO CN(CCCF)CC[N@@H+](C)C1CC1 388598813 538434792 /nfs/dbraw/zinc/43/47/92/538434792.db2.gz DSYVWHXBUSIDHP-UHFFFAOYSA-N 1 1 188.290 1.372 10 0 ADAEMO CN(CC[N@H+](C)CCCF)C1CC1 388598813 538434793 /nfs/dbraw/zinc/43/47/93/538434793.db2.gz DSYVWHXBUSIDHP-UHFFFAOYSA-N 1 1 188.290 1.372 10 0 ADAEMO CN(CC[N@@H+](C)CCCF)C1CC1 388598813 538434794 /nfs/dbraw/zinc/43/47/94/538434794.db2.gz DSYVWHXBUSIDHP-UHFFFAOYSA-N 1 1 188.290 1.372 10 0 ADAEMO COCC[N@@H+](C)CC[C@@H]1CCCO1 388623609 538434898 /nfs/dbraw/zinc/43/48/98/538434898.db2.gz HYJVDQXRWZNDOA-JTQLQIEISA-N 1 1 187.283 1.134 10 0 ADAEMO COCCCC[N@@H+](C)CCCCO 388630109 538434908 /nfs/dbraw/zinc/43/49/08/538434908.db2.gz KNQCCTCBYJVDSQ-UHFFFAOYSA-N 1 1 189.299 1.117 10 0 ADAEMO CC[C@]1(CO)CCC[N@H+]1CCCF 388620714 538434963 /nfs/dbraw/zinc/43/49/63/538434963.db2.gz FJCXGUMGRFUZGY-SNVBAGLBSA-N 1 1 189.274 1.583 10 0 ADAEMO CCC[N@@H+](C)CCc1cnccn1 388617819 538435070 /nfs/dbraw/zinc/43/50/70/538435070.db2.gz DLXYMNGLILXCCS-UHFFFAOYSA-N 1 1 179.267 1.361 10 0 ADAEMO COCC[N@@H+](C)CC[C@H]1CCCO1 388623612 538435179 /nfs/dbraw/zinc/43/51/79/538435179.db2.gz HYJVDQXRWZNDOA-SNVBAGLBSA-N 1 1 187.283 1.134 10 0 ADAEMO CC[C@@]1(CO)CCC[N@H+]1CCCF 388620713 538435189 /nfs/dbraw/zinc/43/51/89/538435189.db2.gz FJCXGUMGRFUZGY-JTQLQIEISA-N 1 1 189.274 1.583 10 0 ADAEMO CC[C@H](C)C[N@H+]1CC[C@H](N(C)C)C1 388653720 538435514 /nfs/dbraw/zinc/43/55/14/538435514.db2.gz SNSLQFNAVONQSC-QWRGUYRKSA-N 1 1 184.327 1.668 10 0 ADAEMO CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C)C1 388653718 538435594 /nfs/dbraw/zinc/43/55/94/538435594.db2.gz SNSLQFNAVONQSC-GHMZBOCLSA-N 1 1 184.327 1.668 10 0 ADAEMO CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C)C1 388653721 538435598 /nfs/dbraw/zinc/43/55/98/538435598.db2.gz SNSLQFNAVONQSC-WDEREUQCSA-N 1 1 184.327 1.668 10 0 ADAEMO C[N@H+](Cc1ccc[nH]1)CC1(F)CC1 388645664 538435600 /nfs/dbraw/zinc/43/56/00/538435600.db2.gz QCJYCSVDWXELBM-UHFFFAOYSA-N 1 1 182.242 1.949 10 0 ADAEMO C[N@@H+](Cc1ccc[nH]1)CC1(F)CC1 388645664 538435601 /nfs/dbraw/zinc/43/56/01/538435601.db2.gz QCJYCSVDWXELBM-UHFFFAOYSA-N 1 1 182.242 1.949 10 0 ADAEMO CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C)C1 388653719 538435712 /nfs/dbraw/zinc/43/57/12/538435712.db2.gz SNSLQFNAVONQSC-MNOVXSKESA-N 1 1 184.327 1.668 10 0 ADAEMO C[N@@H+](CC(C)(C)O)CC1(C)CCC1 388654461 538435813 /nfs/dbraw/zinc/43/58/13/538435813.db2.gz STAJHUYPECQZCN-UHFFFAOYSA-N 1 1 185.311 1.879 10 0 ADAEMO Cc1cc(C[N@H+](C)CCCF)no1 388664775 538435830 /nfs/dbraw/zinc/43/58/30/538435830.db2.gz WIRUMTGFSCZXLY-UHFFFAOYSA-N 1 1 186.230 1.774 10 0 ADAEMO Cc1cc(C[N@@H+](C)CCCF)no1 388664775 538435831 /nfs/dbraw/zinc/43/58/31/538435831.db2.gz WIRUMTGFSCZXLY-UHFFFAOYSA-N 1 1 186.230 1.774 10 0 ADAEMO COC1CC([NH2+]C(C)(C)C(F)F)C1 388648740 538435876 /nfs/dbraw/zinc/43/58/76/538435876.db2.gz QZXQEXYEFXQJPZ-UHFFFAOYSA-N 1 1 193.237 1.797 10 0 ADAEMO COC[C@@H](C)C[N@@H+]1CC=C(C)CC1 388713873 538436572 /nfs/dbraw/zinc/43/65/72/538436572.db2.gz QEFFWJWHEUCMRB-NSHDSACASA-N 1 1 183.295 1.921 10 0 ADAEMO COC[C@H](C)C[N@@H+]1CC=C(C)CC1 388713866 538436517 /nfs/dbraw/zinc/43/65/17/538436517.db2.gz QEFFWJWHEUCMRB-LLVKDONJSA-N 1 1 183.295 1.921 10 0 ADAEMO CC(C)CC[N@H+]1CC[C@H](N(C)C)C1 388738704 538436835 /nfs/dbraw/zinc/43/68/35/538436835.db2.gz XHFXFWYETGOXJP-NSHDSACASA-N 1 1 184.327 1.668 10 0 ADAEMO OCC[C@H]1CC[N@@H+](CCCCF)C1 388734961 538436851 /nfs/dbraw/zinc/43/68/51/538436851.db2.gz WJBQHPHROJBKNP-SNVBAGLBSA-N 1 1 189.274 1.440 10 0 ADAEMO CC[C@H](C)C[N@@H+](C)CC1(CO)CC1 388709485 538436853 /nfs/dbraw/zinc/43/68/53/538436853.db2.gz PDLBVPOYSYQWFC-JTQLQIEISA-N 1 1 185.311 1.737 10 0 ADAEMO OCC[C@@H]1CC[N@@H+](CCCCF)C1 388734960 538436972 /nfs/dbraw/zinc/43/69/72/538436972.db2.gz WJBQHPHROJBKNP-JTQLQIEISA-N 1 1 189.274 1.440 10 0 ADAEMO CCC[N@@H+](CCO)CC1(C)CCC1 388766489 538437249 /nfs/dbraw/zinc/43/72/49/538437249.db2.gz FQFSBZOASQGOMG-UHFFFAOYSA-N 1 1 185.311 1.881 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1CCOCC(F)F 388869859 538438116 /nfs/dbraw/zinc/43/81/16/538438116.db2.gz GRDQLBIFYNSWIR-OCAPTIKFSA-N 1 1 193.237 1.751 10 0 ADAEMO CCCCCN(C)CC(F)(F)C[NH3+] 388856574 538438165 /nfs/dbraw/zinc/43/81/65/538438165.db2.gz CPOQRLCDVVAJHX-UHFFFAOYSA-N 1 1 194.269 1.702 10 0 ADAEMO CC(C)[C@@H](C)N(C)CC(F)(F)C[NH3+] 388859508 538438263 /nfs/dbraw/zinc/43/82/63/538438263.db2.gz DNTRXAVAVHBPFO-MRVPVSSYSA-N 1 1 194.269 1.557 10 0 ADAEMO CC(C)[C@H](C)N(C)CC(F)(F)C[NH3+] 388859510 538438446 /nfs/dbraw/zinc/43/84/46/538438446.db2.gz DNTRXAVAVHBPFO-QMMMGPOBSA-N 1 1 194.269 1.557 10 0 ADAEMO Cc1cc(C[NH2+]CC2(F)CC2)ncn1 388843584 538438479 /nfs/dbraw/zinc/43/84/79/538438479.db2.gz XRHKBUYYVRBVGC-UHFFFAOYSA-N 1 1 195.241 1.377 10 0 ADAEMO Cc1noc(C)c1C[NH2+]CC1(F)CC1 388900972 538438532 /nfs/dbraw/zinc/43/85/32/538438532.db2.gz VFBTUKDOZOMNFV-UHFFFAOYSA-N 1 1 198.241 1.883 10 0 ADAEMO CC(C)C[C@@H](C)[NH2+]C[C@@H](N)C1CC1 388919736 538438635 /nfs/dbraw/zinc/43/86/35/538438635.db2.gz RIYGXLUINVDXKM-MWLCHTKSSA-N 1 1 184.327 1.748 10 0 ADAEMO CC(C)C[C@H](C)[NH2+]C[C@@H](N)C1CC1 388919732 538438746 /nfs/dbraw/zinc/43/87/46/538438746.db2.gz RIYGXLUINVDXKM-GXSJLCMTSA-N 1 1 184.327 1.748 10 0 ADAEMO CC(C)C[C@H](C)[NH2+]C[C@H](N)C1CC1 388919738 538438824 /nfs/dbraw/zinc/43/88/24/538438824.db2.gz RIYGXLUINVDXKM-ONGXEEELSA-N 1 1 184.327 1.748 10 0 ADAEMO CC(C)C[C@@H](C)[NH2+]C[C@H](N)C1CC1 388919734 538438827 /nfs/dbraw/zinc/43/88/27/538438827.db2.gz RIYGXLUINVDXKM-KOLCDFICSA-N 1 1 184.327 1.748 10 0 ADAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC=C(C)C)C1 389280638 538440645 /nfs/dbraw/zinc/44/06/45/538440645.db2.gz ROADPHWIAIPZFJ-WDEREUQCSA-N 1 1 199.294 1.034 10 0 ADAEMO CO[C@H]1C[C@@H](CO)[N@@H+](CC=C(C)C)C1 389280637 538440736 /nfs/dbraw/zinc/44/07/36/538440736.db2.gz ROADPHWIAIPZFJ-QWRGUYRKSA-N 1 1 199.294 1.034 10 0 ADAEMO C1CC(CC[C@H]2C[NH2+]CCN2)C1 667597836 538442055 /nfs/dbraw/zinc/44/20/55/538442055.db2.gz SPYKLWFFBXYKQH-JTQLQIEISA-N 1 1 168.284 1.128 10 0 ADAEMO C1CC(CC[C@@H]2C[NH2+]CCN2)C1 667597837 538442151 /nfs/dbraw/zinc/44/21/51/538442151.db2.gz SPYKLWFFBXYKQH-SNVBAGLBSA-N 1 1 168.284 1.128 10 0 ADAEMO CCC(CC)C[C@@H]1C[NH2+]CCN1 669372771 538442381 /nfs/dbraw/zinc/44/23/81/538442381.db2.gz ZSHSUWHRJLWZGX-SNVBAGLBSA-N 1 1 170.300 1.374 10 0 ADAEMO CCC(CC)C[C@H]1C[NH2+]CCN1 669372770 538442478 /nfs/dbraw/zinc/44/24/78/538442478.db2.gz ZSHSUWHRJLWZGX-JTQLQIEISA-N 1 1 170.300 1.374 10 0 ADAEMO COCC(=O)[C@@H]([NH3+])c1ccc(F)cc1 669376622 538442781 /nfs/dbraw/zinc/44/27/81/538442781.db2.gz CDGVRGGJTOYXDN-JTQLQIEISA-N 1 1 197.209 1.041 10 0 ADAEMO CCC(=O)[C@@H]([NH3+])c1ccc(F)cc1 669376808 538442789 /nfs/dbraw/zinc/44/27/89/538442789.db2.gz TXVMJGOQLGRZSB-JTQLQIEISA-N 1 1 181.210 1.805 10 0 ADAEMO COCC(=O)[C@@H]([NH3+])c1ccc(C)cc1 669376849 538442812 /nfs/dbraw/zinc/44/28/12/538442812.db2.gz ZCTDQJAUSQLWBT-NSHDSACASA-N 1 1 193.246 1.210 10 0 ADAEMO CCC(=O)[C@H]([NH3+])c1ccc(F)cc1 669376809 538442852 /nfs/dbraw/zinc/44/28/52/538442852.db2.gz TXVMJGOQLGRZSB-SNVBAGLBSA-N 1 1 181.210 1.805 10 0 ADAEMO CCC(=O)[C@H]([NH3+])c1ccc(OC)cc1 669376730 538442896 /nfs/dbraw/zinc/44/28/96/538442896.db2.gz MDJWPXOYCMUTON-LLVKDONJSA-N 1 1 193.246 1.674 10 0 ADAEMO CCC(=O)[C@@H]([NH3+])c1ccc(C)cc1 669376613 538443051 /nfs/dbraw/zinc/44/30/51/538443051.db2.gz AVJKQESDXWPETQ-NSHDSACASA-N 1 1 177.247 1.974 10 0 ADAEMO CCC(=O)[C@@H]([NH3+])c1ccc(OC)cc1 669376731 538443101 /nfs/dbraw/zinc/44/31/01/538443101.db2.gz MDJWPXOYCMUTON-NSHDSACASA-N 1 1 193.246 1.674 10 0 ADAEMO COCC(=O)[C@H]([NH3+])c1ccc(F)cc1 669376623 538443147 /nfs/dbraw/zinc/44/31/47/538443147.db2.gz CDGVRGGJTOYXDN-SNVBAGLBSA-N 1 1 197.209 1.041 10 0 ADAEMO COCC(=O)[C@H]([NH3+])c1ccc(C)cc1 669376848 538443171 /nfs/dbraw/zinc/44/31/71/538443171.db2.gz ZCTDQJAUSQLWBT-LLVKDONJSA-N 1 1 193.246 1.210 10 0 ADAEMO CCC(=O)[C@H]([NH3+])c1ccc(C)cc1 669376612 538443190 /nfs/dbraw/zinc/44/31/90/538443190.db2.gz AVJKQESDXWPETQ-LLVKDONJSA-N 1 1 177.247 1.974 10 0 ADAEMO CCCc1c[nH+]cc(N)c1C 669379216 538444868 /nfs/dbraw/zinc/44/48/68/538444868.db2.gz XRGPPGSCQULISQ-UHFFFAOYSA-N 1 1 150.225 1.925 10 0 ADAEMO CN(Cc1cncc(C[NH3+])c1)C1CC1 669379158 538445065 /nfs/dbraw/zinc/44/50/65/538445065.db2.gz VCSMSFIYWYUXRD-UHFFFAOYSA-N 1 1 191.278 1.135 10 0 ADAEMO CC(C)[N@@H+](C)CC[C@@H]1CCC1=O 669381825 538445486 /nfs/dbraw/zinc/44/54/86/538445486.db2.gz XBOZIIZANOFRJZ-VIFPVBQESA-N 1 1 169.268 1.696 10 0 ADAEMO CC[N@@H+](C)CC[C@H]1CCC1=O 669381640 538445623 /nfs/dbraw/zinc/44/56/23/538445623.db2.gz PZVQHSMGILDJMH-MRVPVSSYSA-N 1 1 155.241 1.307 10 0 ADAEMO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]21 669381926 538445584 /nfs/dbraw/zinc/44/55/84/538445584.db2.gz AIFBVINZIBVIAK-XFWSIPNHSA-N 1 1 197.278 1.326 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 669381927 538445766 /nfs/dbraw/zinc/44/57/66/538445766.db2.gz AIFBVINZIBVIAK-XKNYDFJKSA-N 1 1 197.278 1.326 10 0 ADAEMO C[NH2+]Cc1nc(C(C)(C)C)co1 669381808 538445807 /nfs/dbraw/zinc/44/58/07/538445807.db2.gz WKIVQBSMNWEBRG-UHFFFAOYSA-N 1 1 168.240 1.692 10 0 ADAEMO CC[N@@H+](C)CC[C@@H]1CCC1=O 669381641 538445939 /nfs/dbraw/zinc/44/59/39/538445939.db2.gz PZVQHSMGILDJMH-QMMMGPOBSA-N 1 1 155.241 1.307 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]21 669381924 538445978 /nfs/dbraw/zinc/44/59/78/538445978.db2.gz AIFBVINZIBVIAK-AATLWQCWSA-N 1 1 197.278 1.326 10 0 ADAEMO COC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 669381925 538446067 /nfs/dbraw/zinc/44/60/67/538446067.db2.gz AIFBVINZIBVIAK-KATARQTJSA-N 1 1 197.278 1.326 10 0 ADAEMO CC(C)[N@@H+](C)CC[C@H]1CCC1=O 669381824 538446078 /nfs/dbraw/zinc/44/60/78/538446078.db2.gz XBOZIIZANOFRJZ-SECBINFHSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CNC2 669384812 538446901 /nfs/dbraw/zinc/44/69/01/538446901.db2.gz HJPNQQQFKCXKRG-LPEHRKFASA-N 1 1 168.284 1.221 10 0 ADAEMO CC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CNC2 669384811 538447237 /nfs/dbraw/zinc/44/72/37/538447237.db2.gz HJPNQQQFKCXKRG-BBBLOLIVSA-N 1 1 168.284 1.221 10 0 ADAEMO CC(C)C[N@@H+](CCO)C(C)C 42589478 541302042 /nfs/dbraw/zinc/30/20/42/541302042.db2.gz GCHZFAGQGGNSDK-UHFFFAOYSA-N 1 1 159.273 1.345 10 0 ADAEMO CCOC(=O)/C=C/C[N@@H+](C)CC 87638672 541303750 /nfs/dbraw/zinc/30/37/50/541303750.db2.gz DNMOJCVJOPUXMZ-VOTSOKGWSA-N 1 1 171.240 1.057 10 0 ADAEMO CCOC(=O)/C=C/C[N@@H+](C)C(C)C 87638660 541304021 /nfs/dbraw/zinc/30/40/21/541304021.db2.gz HZTFRJFIWBWVOK-VOTSOKGWSA-N 1 1 185.267 1.446 10 0 ADAEMO CCOC(=O)/C=C/C[N@@H+](C)C1CC1 87638673 541304263 /nfs/dbraw/zinc/30/42/63/541304263.db2.gz FAJNIKUKEWTZRH-SNAWJCMRSA-N 1 1 183.251 1.200 10 0 ADAEMO COC(=O)CC[N@H+]1CC[C@H](C(C)C)C1 157998066 541309124 /nfs/dbraw/zinc/30/91/24/541309124.db2.gz VCSBLIKTUOBYOR-JTQLQIEISA-N 1 1 199.294 1.527 10 0 ADAEMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](C(C)C)C1 158003090 541309177 /nfs/dbraw/zinc/30/91/77/541309177.db2.gz YTHDBSPWXKZSEX-VHSXEESVSA-N 1 1 198.310 1.228 10 0 ADAEMO CC[C@H](O)C[N@H+]1CC[C@H](C(C)C)C1 158016580 541309209 /nfs/dbraw/zinc/30/92/09/541309209.db2.gz CUVGJJUZEWNJDA-QWRGUYRKSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](C(C)C)C1 158002950 541309232 /nfs/dbraw/zinc/30/92/32/541309232.db2.gz YTHDBSPWXKZSEX-UWVGGRQHSA-N 1 1 198.310 1.228 10 0 ADAEMO CC[C@@H](O)C[N@H+]1CC[C@H](C(C)C)C1 158016715 541309247 /nfs/dbraw/zinc/30/92/47/541309247.db2.gz CUVGJJUZEWNJDA-WDEREUQCSA-N 1 1 185.311 1.735 10 0 ADAEMO COC(=O)CC[N@H+]1CC[C@@H](C(C)C)C1 157997901 541309377 /nfs/dbraw/zinc/30/93/77/541309377.db2.gz VCSBLIKTUOBYOR-SNVBAGLBSA-N 1 1 199.294 1.527 10 0 ADAEMO COC(=O)[C@H](C)[N@H+]1CC[C@@H](C(C)C)C1 157996634 541309451 /nfs/dbraw/zinc/30/94/51/541309451.db2.gz XXUKBVSXHRUJKG-VHSXEESVSA-N 1 1 199.294 1.526 10 0 ADAEMO COC(=O)[C@H](C)[N@H+]1CC[C@H](C(C)C)C1 157996769 541309404 /nfs/dbraw/zinc/30/94/04/541309404.db2.gz XXUKBVSXHRUJKG-UWVGGRQHSA-N 1 1 199.294 1.526 10 0 ADAEMO CC[N@H+]1CC[C@H](C)[C@H](F)C1 200995555 541314564 /nfs/dbraw/zinc/31/45/64/541314564.db2.gz DEZBBJVUDSDSIJ-JGVFFNPUSA-N 1 1 145.221 1.686 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@@H](CO)C1 201156357 541314659 /nfs/dbraw/zinc/31/46/59/541314659.db2.gz KWTFQBBPDOTGOL-GHMZBOCLSA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H]1C 216252489 541317212 /nfs/dbraw/zinc/31/72/12/541317212.db2.gz SKONJNPVIMQPCM-QWRGUYRKSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H]1C 216252489 541317214 /nfs/dbraw/zinc/31/72/14/541317214.db2.gz SKONJNPVIMQPCM-QWRGUYRKSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@H]([NH3+])CN1CCC[C@@H]1C 216252489 541317215 /nfs/dbraw/zinc/31/72/15/541317215.db2.gz SKONJNPVIMQPCM-QWRGUYRKSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[N@H+](CC)[C@H]1CC[C@@H](C)NC1 219953507 541317957 /nfs/dbraw/zinc/31/79/57/541317957.db2.gz VSBVDODUSKJSTH-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CC)[C@H]1CC[C@@H](C)NC1 219953507 541317961 /nfs/dbraw/zinc/31/79/61/541317961.db2.gz VSBVDODUSKJSTH-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@H+](CC)[C@@H]1CC[C@@H](C)NC1 219953451 541318457 /nfs/dbraw/zinc/31/84/57/541318457.db2.gz VSBVDODUSKJSTH-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1CC[C@@H](C)NC1 219953451 541318460 /nfs/dbraw/zinc/31/84/60/541318460.db2.gz VSBVDODUSKJSTH-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO Cc1cnc(C[NH2+][C@H](C)C(C)(C)O)o1 231637089 541321604 /nfs/dbraw/zinc/32/16/04/541321604.db2.gz JZELEBSZIYOIIX-MRVPVSSYSA-N 1 1 198.266 1.232 10 0 ADAEMO C[C@H](CO)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 231636988 541321622 /nfs/dbraw/zinc/32/16/22/541321622.db2.gz IUGNSSXXUFBNRV-SRVKXCTJSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@@H](CO)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 231636985 541321725 /nfs/dbraw/zinc/32/17/25/541321725.db2.gz IUGNSSXXUFBNRV-WOPDTQHZSA-N 1 1 197.322 1.879 10 0 ADAEMO CC(C)[C@@H]1CC[N@H+](C[C@H](C)CO)C1 231637746 541321818 /nfs/dbraw/zinc/32/18/18/541321818.db2.gz JQMZWDBFGFHFOU-WDEREUQCSA-N 1 1 185.311 1.593 10 0 ADAEMO C[C@H](CO)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 231637550 541321936 /nfs/dbraw/zinc/32/19/36/541321936.db2.gz UUVHAEHLJVJQOM-SRVKXCTJSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C(F)F 299897791 541326909 /nfs/dbraw/zinc/32/69/09/541326909.db2.gz SEBXGTOYOGHGFU-GJMOJQLCSA-N 1 1 193.237 1.797 10 0 ADAEMO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(F)F 299897790 541327289 /nfs/dbraw/zinc/32/72/89/541327289.db2.gz SEBXGTOYOGHGFU-BIIVOSGPSA-N 1 1 193.237 1.797 10 0 ADAEMO C[C@@]1([NH2+]Cc2cocn2)CCCOC1 306512308 541329652 /nfs/dbraw/zinc/32/96/52/541329652.db2.gz PMIOUXBXJGLDKW-SNVBAGLBSA-N 1 1 196.250 1.333 10 0 ADAEMO C[C@]1([NH2+]Cc2cocn2)CCCOC1 306512307 541329765 /nfs/dbraw/zinc/32/97/65/541329765.db2.gz PMIOUXBXJGLDKW-JTQLQIEISA-N 1 1 196.250 1.333 10 0 ADAEMO CC[C@@H]1CCCN1CC(F)(F)C[NH3+] 308347448 541332757 /nfs/dbraw/zinc/33/27/57/541332757.db2.gz WHFHRSZVGGYIEP-MRVPVSSYSA-N 1 1 192.253 1.455 10 0 ADAEMO CCC[N@@H+](C)CC1=CCCOC1 388378825 541341361 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C[C@H](CO)C[N@@H+](C)[C@@H](C)C1(C)CC1 379257881 541336999 /nfs/dbraw/zinc/33/69/99/541336999.db2.gz SVXODMXBOFYDQC-UWVGGRQHSA-N 1 1 185.311 1.735 10 0 ADAEMO C[C@@H](CO)C[N@@H+](C)[C@H](C)C1(C)CC1 379257880 541337031 /nfs/dbraw/zinc/33/70/31/541337031.db2.gz SVXODMXBOFYDQC-NXEZZACHSA-N 1 1 185.311 1.735 10 0 ADAEMO C[C@@H](O)CC[N@@H+](C)[C@H](C)C1(C)CC1 379257430 541337065 /nfs/dbraw/zinc/33/70/65/541337065.db2.gz LWGZCPFRZUCURN-NXEZZACHSA-N 1 1 185.311 1.878 10 0 ADAEMO COCC[N@@H+](C)CCCCF 379214047 541337219 /nfs/dbraw/zinc/33/72/19/541337219.db2.gz GLHGTEMKEFFJGY-UHFFFAOYSA-N 1 1 163.236 1.314 10 0 ADAEMO COC(C)(C)C[N@@H+](C)CC(C)(C)O 379232870 541337227 /nfs/dbraw/zinc/33/72/27/541337227.db2.gz AHDDBJCEYSOFAZ-UHFFFAOYSA-N 1 1 189.299 1.114 10 0 ADAEMO COC(C)(C)C[N@@H+](C)CC[C@H](C)O 379257871 541337332 /nfs/dbraw/zinc/33/73/32/541337332.db2.gz SIHOXLLTJNEUSN-VIFPVBQESA-N 1 1 189.299 1.114 10 0 ADAEMO C[C@H](O)CC[N@@H+](C)[C@@H](C)C1(C)CC1 379257431 541337373 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187.283 1.716 10 0 ADAEMO C[C@H](CC1CC1)[NH2+]Cc1c[nH]cn1 69664471 572129028 /nfs/dbraw/zinc/12/90/28/572129028.db2.gz LUSKJLCITNIZAS-MRVPVSSYSA-N 1 1 179.267 1.688 10 0 ADAEMO CC[N@@H+](Cc1ccoc1)[C@@H](C)CO 688539875 757337686 /nfs/dbraw/zinc/33/76/86/757337686.db2.gz CPRUFMNRIRKFNG-VIFPVBQESA-N 1 1 183.251 1.482 10 0 ADAEMO CCOC(=O)[C@@](C)(CC)[NH2+]C(C)C 37446075 572129040 /nfs/dbraw/zinc/12/90/40/572129040.db2.gz XEMNCHOBNYXHOU-SNVBAGLBSA-N 1 1 187.283 1.716 10 0 ADAEMO CCOC(=O)C[NH2+][C@H](C)CC1CC1 69664904 572129048 /nfs/dbraw/zinc/12/90/48/572129048.db2.gz RNIDXXBGECZKPI-MRVPVSSYSA-N 1 1 185.267 1.328 10 0 ADAEMO CCC1CCC([NH2+]C)(C(=O)OC)CC1 37447915 572129049 /nfs/dbraw/zinc/12/90/49/572129049.db2.gz LEVKTXFVPHNKGX-UHFFFAOYSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[C@@H]1C[C@H]([NH2+]Cc2ccon2)CO1 688523402 757338251 /nfs/dbraw/zinc/33/82/51/757338251.db2.gz FPPJKMRMAPPNFG-VHSXEESVSA-N 1 1 196.250 1.332 10 0 ADAEMO CCC[C@H]([NH2+]CC)C(=O)OCC 37447433 572129064 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184.327 1.846 10 0 ADAEMO CC(=O)CC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 694913425 757407782 /nfs/dbraw/zinc/40/77/82/757407782.db2.gz SYURKAFUXCLWHY-MNOVXSKESA-N 1 1 199.294 1.465 10 0 ADAEMO COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@@H]1C 83402408 572210918 /nfs/dbraw/zinc/21/09/18/572210918.db2.gz LFUYEBOIEJNLOC-GXSJLCMTSA-N 1 1 199.294 1.716 10 0 ADAEMO Cc1cn2nc([C@H](C)[NH3+])sc2n1 20221921 572210941 /nfs/dbraw/zinc/21/09/41/572210941.db2.gz IOOBPJQOSZWWEG-YFKPBYRVSA-N 1 1 182.252 1.119 10 0 ADAEMO C[C@H](CN)[N@@H+](C)CC(C)(C)C 20226781 572210959 /nfs/dbraw/zinc/21/09/59/572210959.db2.gz KHUVLUQCMQIVAR-MRVPVSSYSA-N 1 1 158.289 1.312 10 0 ADAEMO C[C@H](C[NH3+])N(C)CC(C)(C)C 20226781 572210960 /nfs/dbraw/zinc/21/09/60/572210960.db2.gz KHUVLUQCMQIVAR-MRVPVSSYSA-N 1 1 158.289 1.312 10 0 ADAEMO C[N@@H+](CCO)CC1CCC2(CC1)CC2 695575611 757410153 /nfs/dbraw/zinc/41/01/53/757410153.db2.gz PQMSVMBOSGZKCS-UHFFFAOYSA-N 1 1 197.322 1.881 10 0 ADAEMO CC[C@H](N)[C@@H]([NH3+])C1CCCCC1 36448113 572211316 /nfs/dbraw/zinc/21/13/16/572211316.db2.gz LEKXTOLKRNOPQQ-UWVGGRQHSA-N 1 1 170.300 1.631 10 0 ADAEMO CC[C@H]([NH3+])[C@@H](N)C1CCCCC1 36448113 572211318 /nfs/dbraw/zinc/21/13/18/572211318.db2.gz LEKXTOLKRNOPQQ-UWVGGRQHSA-N 1 1 170.300 1.631 10 0 ADAEMO CN[C@@H]1CC[N@H+]([C@@H](C(C)C)C2CC2)C1 324098488 572211324 /nfs/dbraw/zinc/21/13/24/572211324.db2.gz JAMGAHXBZQRRFL-NEPJUHHUSA-N 1 1 196.338 1.715 10 0 ADAEMO C[NH2+][C@@H]1CCN([C@@H](C(C)C)C2CC2)C1 324098488 572211325 /nfs/dbraw/zinc/21/13/25/572211325.db2.gz JAMGAHXBZQRRFL-NEPJUHHUSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@@H](C[NH3+])[C@@H](C)N(C)Cc1ccoc1 86312204 572914004 /nfs/dbraw/zinc/91/40/04/572914004.db2.gz VPUOXCINYNXDST-VHSXEESVSA-N 1 1 196.294 1.695 10 0 ADAEMO C[N@@H+](CCN)CC1CCC2(CC1)CC2 695578121 757415374 /nfs/dbraw/zinc/41/53/74/757415374.db2.gz XQILZUPJVDQOED-UHFFFAOYSA-N 1 1 196.338 1.847 10 0 ADAEMO CN(CC[NH3+])CC1CCC2(CC1)CC2 695578121 757415387 /nfs/dbraw/zinc/41/53/87/757415387.db2.gz XQILZUPJVDQOED-UHFFFAOYSA-N 1 1 196.338 1.847 10 0 ADAEMO CCC[C@@H]1SCC[N@H+]1C 687798387 572236606 /nfs/dbraw/zinc/23/66/06/572236606.db2.gz CZTPDOHJLIILSY-ZETCQYMHSA-N 1 1 145.271 1.791 10 0 ADAEMO C[NH2+][C@H](C(=O)OC)[C@H](C)CC(C)C 300998689 572237037 /nfs/dbraw/zinc/23/70/37/572237037.db2.gz WTGKENZEJPJUPI-BDAKNGLRSA-N 1 1 187.283 1.430 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+]1CC[C@H](NC2CC2)C1 70585106 572237077 /nfs/dbraw/zinc/23/70/77/572237077.db2.gz AGMYBEWXOXMXPW-CABZTGNLSA-N 1 1 194.322 1.611 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CC[C@H](NC2CC2)C1 70585106 572237078 /nfs/dbraw/zinc/23/70/78/572237078.db2.gz AGMYBEWXOXMXPW-CABZTGNLSA-N 1 1 194.322 1.611 10 0 ADAEMO C[NH2+]Cc1ncc(C(C)(C)OC)[nH]1 300998644 572237104 /nfs/dbraw/zinc/23/71/04/572237104.db2.gz MOXBGGRRUFJQJT-UHFFFAOYSA-N 1 1 183.255 1.011 10 0 ADAEMO COC(=O)C[C@H](C)[N@H+]1CCC[C@@H]1C 37911375 572237561 /nfs/dbraw/zinc/23/75/61/572237561.db2.gz XAOTYYQEYFPHMO-IUCAKERBSA-N 1 1 185.267 1.422 10 0 ADAEMO CC[C@@](C)(C(=O)C(F)F)[NH+](C)C 687714137 572237578 /nfs/dbraw/zinc/23/75/78/572237578.db2.gz HACZJGPJPLXFCW-QMMMGPOBSA-N 1 1 179.210 1.551 10 0 ADAEMO CC[C@@H]1CCC[N@H+]1C[C@](C)(N)C1CC1 37914223 572237594 /nfs/dbraw/zinc/23/75/94/572237594.db2.gz XLHPGDPGLSLYRT-NEPJUHHUSA-N 1 1 196.338 1.988 10 0 ADAEMO C[NH2+][C@@H](C(=O)OC)[C@H](C)CC(C)C 300998697 572239721 /nfs/dbraw/zinc/23/97/21/572239721.db2.gz WTGKENZEJPJUPI-RKDXNWHRSA-N 1 1 187.283 1.430 10 0 ADAEMO C[C@@]1(CO)CC[N@@H+](CCCCF)C1 308207280 572936510 /nfs/dbraw/zinc/93/65/10/572936510.db2.gz ZUPPCRQUMYOOHY-SNVBAGLBSA-N 1 1 189.274 1.440 10 0 ADAEMO C[C@H](N)C[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 697497719 757428733 /nfs/dbraw/zinc/42/87/33/757428733.db2.gz XIWHNCJBCRVYJQ-MMWGEVLESA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@H]([NH3+])CN(C)C[C@H]1C[C@@H]2C[C@@H]2C1 697497719 757428747 /nfs/dbraw/zinc/42/87/47/757428747.db2.gz XIWHNCJBCRVYJQ-MMWGEVLESA-N 1 1 182.311 1.312 10 0 ADAEMO C[N@@H+](C1CCCC1)[C@@H]1COCC[C@@H]1O 44128806 572361479 /nfs/dbraw/zinc/36/14/79/572361479.db2.gz ZNYZTNLKGWEQHQ-MNOVXSKESA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccoc1 87289920 572415314 /nfs/dbraw/zinc/41/53/14/572415314.db2.gz RQDIBRZPIJPJQW-QMMMGPOBSA-N 1 1 191.234 1.854 10 0 ADAEMO C[C@@H]1OC[C@H]([NH2+]CC(C)(F)F)[C@@H]1C 697628105 757435762 /nfs/dbraw/zinc/43/57/62/757435762.db2.gz RKYPYBUSDBRSBK-CSMHCCOUSA-N 1 1 193.237 1.655 10 0 ADAEMO C[C@@H](NCc1cnc[nH]1)c1ccoc1 87290440 572417099 /nfs/dbraw/zinc/41/70/99/572417099.db2.gz GFDSKKCUQUUNGU-MRVPVSSYSA-N 1 1 191.234 1.854 10 0 ADAEMO C[C@@H]1OC[C@@H]([NH2+]CC(C)(F)F)[C@@H]1C 697628111 757437198 /nfs/dbraw/zinc/43/71/98/757437198.db2.gz RKYPYBUSDBRSBK-GJMOJQLCSA-N 1 1 193.237 1.655 10 0 ADAEMO CC(F)(F)C[NH2+][C@H]1COCC1(C)C 697627146 757437910 /nfs/dbraw/zinc/43/79/10/757437910.db2.gz KLGZPRPROJMDFZ-ZETCQYMHSA-N 1 1 193.237 1.656 10 0 ADAEMO C[C@@H]1OC[C@@H]([NH2+]CC(C)(F)F)[C@H]1C 697628102 757438164 /nfs/dbraw/zinc/43/81/64/757438164.db2.gz RKYPYBUSDBRSBK-BIIVOSGPSA-N 1 1 193.237 1.655 10 0 ADAEMO C[C@@H]1OC[C@H]([NH2+]CC(C)(F)F)[C@H]1C 697628108 757438213 /nfs/dbraw/zinc/43/82/13/757438213.db2.gz RKYPYBUSDBRSBK-FXQIFTODSA-N 1 1 193.237 1.655 10 0 ADAEMO CC(F)(F)C[NH2+][C@@H]1COCC1(C)C 697627142 757438479 /nfs/dbraw/zinc/43/84/79/757438479.db2.gz KLGZPRPROJMDFZ-SSDOTTSWSA-N 1 1 193.237 1.656 10 0 ADAEMO C[N@H+]1CCC[C@H](N)[C@@H]1C1CCCCC1 76637083 572438053 /nfs/dbraw/zinc/43/80/53/572438053.db2.gz NPPUWOILKBRRHY-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO CN1CCC[C@H]([NH3+])[C@@H]1C1CCCCC1 76637083 572438056 /nfs/dbraw/zinc/43/80/56/572438056.db2.gz NPPUWOILKBRRHY-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO C/C=C(/C)C[N@H+]1CCC[C@@H](C(N)=O)C1 33394657 572442044 /nfs/dbraw/zinc/44/20/44/572442044.db2.gz VMOYOJPOPJQSJM-KSXVILFYSA-N 1 1 196.294 1.150 10 0 ADAEMO CCCC[C@]([NH3+])(CC)CN 68988262 572460878 /nfs/dbraw/zinc/46/08/78/572460878.db2.gz HILDMLVQDDBFMP-MRVPVSSYSA-N 1 1 144.262 1.243 10 0 ADAEMO C[NH2+][C@H](CN)c1ccc(C)c(Cl)c1 234447695 572460914 /nfs/dbraw/zinc/46/09/14/572460914.db2.gz NFGNGUKTZWZSGM-SNVBAGLBSA-N 1 1 198.697 1.868 10 0 ADAEMO C[NH2+]CC(=O)c1cc2c[nH]nc2s1 74244430 572460929 /nfs/dbraw/zinc/46/09/29/572460929.db2.gz VZJJXBMLLZFRML-UHFFFAOYSA-N 1 1 195.247 1.027 10 0 ADAEMO CCCC[C@@]([NH3+])(CC)CN 68988258 572460948 /nfs/dbraw/zinc/46/09/48/572460948.db2.gz HILDMLVQDDBFMP-QMMMGPOBSA-N 1 1 144.262 1.243 10 0 ADAEMO CCCC[C@@](CC)(C[NH3+])N(C)C 68988103 572460979 /nfs/dbraw/zinc/46/09/79/572460979.db2.gz XHRYBORIQLTHJY-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO Cc1[nH]ncc1C[NH2+]CC1CSC1 697944570 757446034 /nfs/dbraw/zinc/44/60/34/757446034.db2.gz DPHSEZYEUOCDMU-UHFFFAOYSA-N 1 1 197.307 1.171 10 0 ADAEMO CCN1CC[C@@H](C)[NH2+][C@@H](C)C1 250356006 572483266 /nfs/dbraw/zinc/48/32/66/572483266.db2.gz SENKXQDWHMAQRE-BDAKNGLRSA-N 1 1 156.273 1.079 10 0 ADAEMO C[N@H+]1C[C@H](N)CC[C@H]1C1CCCC1 250565625 572483292 /nfs/dbraw/zinc/48/32/92/572483292.db2.gz DFDHSUFDOJCJMH-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO CN1C[C@H]([NH3+])CC[C@H]1C1CCCC1 250565625 572483303 /nfs/dbraw/zinc/48/33/03/572483303.db2.gz DFDHSUFDOJCJMH-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO CN1C[C@@H](C[NH3+])C[C@H]1c1ccncc1 250569041 572483313 /nfs/dbraw/zinc/48/33/13/572483313.db2.gz DQFJDBFLBBLPLL-KOLCDFICSA-N 1 1 191.278 1.033 10 0 ADAEMO CC[C@@H]([NH3+])c1nnc(CCCOC)o1 87438477 572483324 /nfs/dbraw/zinc/48/33/24/572483324.db2.gz AOTKRYGEZWDRDB-SSDOTTSWSA-N 1 1 199.254 1.058 10 0 ADAEMO CC[N@@H+](C)CC[C@@H]1CCC[C@@H]1O 86536142 572952754 /nfs/dbraw/zinc/95/27/54/572952754.db2.gz UVPRZOZZCQKSOG-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO C[N@@H+](CC[C@H]1CCC[C@@H]1O)C1CC1 86536162 572952771 /nfs/dbraw/zinc/95/27/71/572952771.db2.gz ANMSSIIDKPGEGJ-KOLCDFICSA-N 1 1 183.295 1.632 10 0 ADAEMO CCOC[C@H](O)c1cc(C)c[nH+]c1N 84063563 572486607 /nfs/dbraw/zinc/48/66/07/572486607.db2.gz XNKZMUQCZDNYOC-VIFPVBQESA-N 1 1 196.250 1.042 10 0 ADAEMO C1=C[C@@H]([NH2+]Cc2cocn2)CC1 698197362 757452218 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188.315 1.128 10 0 ADAEMO C[N@@H+](C[C@H](O)C1CCCC1)C1CC1 158405812 572927073 /nfs/dbraw/zinc/92/70/73/572927073.db2.gz PMJZCPOOLRLLNX-NSHDSACASA-N 1 1 183.295 1.632 10 0 ADAEMO COC1(C[N@H+]2CCC[C@H]2CO)CCC1 1117664972 757627357 /nfs/dbraw/zinc/62/73/57/757627357.db2.gz RYGJMQQOBNPMHJ-JTQLQIEISA-N 1 1 199.294 1.012 10 0 ADAEMO CCCC1(C[N@@H+](CC)CCN)CC1 308204345 572933352 /nfs/dbraw/zinc/93/33/52/572933352.db2.gz GWKDHBBVJUUMBO-UHFFFAOYSA-N 1 1 184.327 1.847 10 0 ADAEMO CCCC1(CN(CC)CC[NH3+])CC1 308204345 572933354 /nfs/dbraw/zinc/93/33/54/572933354.db2.gz GWKDHBBVJUUMBO-UHFFFAOYSA-N 1 1 184.327 1.847 10 0 ADAEMO CCC[N@@H+](CC)C[C@@H](N)CC1CC1 308205414 572933923 /nfs/dbraw/zinc/93/39/23/572933923.db2.gz YKMZQMAHUZEHAN-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCCN(CC)C[C@@H]([NH3+])CC1CC1 308205414 572933925 /nfs/dbraw/zinc/93/39/25/572933925.db2.gz YKMZQMAHUZEHAN-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO C=C/C=C/CC[N@@H+](CCC)CCN 713641313 572933929 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1 194.322 1.613 10 0 ADAEMO C[NH2+]C[C@H](C)[C@@H](C)c1cnc(C)n1C 308498059 573083933 /nfs/dbraw/zinc/08/39/33/573083933.db2.gz UNNMNEOKVASVOT-DTWKUNHWSA-N 1 1 195.310 1.688 10 0 ADAEMO Cc1cccc(C(=O)C[NH3+])c1C 82522617 573083984 /nfs/dbraw/zinc/08/39/84/573083984.db2.gz BMIRBWJFRQLGIB-UHFFFAOYSA-N 1 1 163.220 1.445 10 0 ADAEMO CC[C@H]1N[C@H](CC)[C@H](CC)C[NH2+]1 238271207 573083999 /nfs/dbraw/zinc/08/39/99/573083999.db2.gz FXLFFCJMOHLMKV-OPRDCNLKSA-N 1 1 170.300 1.720 10 0 ADAEMO CC(=O)CCC[N@H+]1CCC[C@@H](F)C1 689836371 573084075 /nfs/dbraw/zinc/08/40/75/573084075.db2.gz MNPKESMQVFJRDH-SNVBAGLBSA-N 1 1 187.258 1.790 10 0 ADAEMO C[NH2+]Cc1nnc([C@H]2CC[C@@H](C)O2)o1 88142894 573084151 /nfs/dbraw/zinc/08/41/51/573084151.db2.gz NHHOEGFHRSYIOF-RNFRBKRXSA-N 1 1 197.238 1.029 10 0 ADAEMO C[NH2+]C[C@H](C)[C@H](C)c1cnc(C)n1C 308498060 573085523 /nfs/dbraw/zinc/08/55/23/573085523.db2.gz UNNMNEOKVASVOT-IUCAKERBSA-N 1 1 195.310 1.688 10 0 ADAEMO C1[NH2+]C2(CN[C@H]3C[C@@H]3C3CC3)CC1C2 717108387 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1 1 193.250 1.379 10 0 ADAEMO CC[N@@H+]1CCC[C@H]1c1cc(C=O)n[nH]1 259329188 573105846 /nfs/dbraw/zinc/10/58/46/573105846.db2.gz SLZIFTXXTOTIAS-JTQLQIEISA-N 1 1 193.250 1.379 10 0 ADAEMO CC[N@H+]1CCC[C@H]1c1cc(C=O)n[nH]1 259329188 573105852 /nfs/dbraw/zinc/10/58/52/573105852.db2.gz SLZIFTXXTOTIAS-JTQLQIEISA-N 1 1 193.250 1.379 10 0 ADAEMO COc1cccc(C[N@@H+]2CC[C@H]2C)n1 1137528354 757876591 /nfs/dbraw/zinc/87/65/91/757876591.db2.gz BNDKGTHYBNMYQG-SECBINFHSA-N 1 1 192.262 1.684 10 0 ADAEMO COc1cccc(C[N@H+]2CC[C@H]2C)n1 1137528354 757876595 /nfs/dbraw/zinc/87/65/95/757876595.db2.gz BNDKGTHYBNMYQG-SECBINFHSA-N 1 1 192.262 1.684 10 0 ADAEMO COc1cccc(C[NH+]2CC=CC2)n1 1137528755 757877505 /nfs/dbraw/zinc/87/75/05/757877505.db2.gz RTQWHAHWXGLHBD-UHFFFAOYSA-N 1 1 190.246 1.462 10 0 ADAEMO Cc1cc(C[N@@H+]2CC[C@@H]2C)ccn1 1137409029 757878190 /nfs/dbraw/zinc/87/81/90/757878190.db2.gz XXPVRIQMFBPYHV-JTQLQIEISA-N 1 1 176.263 1.984 10 0 ADAEMO Cc1cc(C[N@@H+]2CC[C@H]2C)ccn1 1137409033 757878988 /nfs/dbraw/zinc/87/89/88/757878988.db2.gz XXPVRIQMFBPYHV-SNVBAGLBSA-N 1 1 176.263 1.984 10 0 ADAEMO COc1cccc(C[N@@H+]2CC[C@@H]2C)n1 1137528356 757879409 /nfs/dbraw/zinc/87/94/09/757879409.db2.gz BNDKGTHYBNMYQG-VIFPVBQESA-N 1 1 192.262 1.684 10 0 ADAEMO COc1cccc(C[N@H+]2CC[C@@H]2C)n1 1137528356 757879416 /nfs/dbraw/zinc/87/94/16/757879416.db2.gz BNDKGTHYBNMYQG-VIFPVBQESA-N 1 1 192.262 1.684 10 0 ADAEMO c1ncc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cn1 1137670343 757880614 /nfs/dbraw/zinc/88/06/14/757880614.db2.gz MDVXWMYVRFQFBI-MNOVXSKESA-N 1 1 189.262 1.461 10 0 ADAEMO C[C@@H]1CC[N@@H+]1Cc1ccc(F)nc1 1137735213 757881492 /nfs/dbraw/zinc/88/14/92/757881492.db2.gz JDNXEVCKSGPWJG-MRVPVSSYSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1ccc(F)nc1 1137735213 757881496 /nfs/dbraw/zinc/88/14/96/757881496.db2.gz JDNXEVCKSGPWJG-MRVPVSSYSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@H]1CC[N@@H+]1Cc1ccc(F)nc1 1137735214 757881588 /nfs/dbraw/zinc/88/15/88/757881588.db2.gz JDNXEVCKSGPWJG-QMMMGPOBSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1ccc(F)nc1 1137735214 757881590 /nfs/dbraw/zinc/88/15/90/757881590.db2.gz JDNXEVCKSGPWJG-QMMMGPOBSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@@H]1CC[N@@H+]1Cc1cncnc1 1137663500 757881606 /nfs/dbraw/zinc/88/16/06/757881606.db2.gz FVMOPBSWPHTEBY-MRVPVSSYSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1cncnc1 1137663500 757881613 /nfs/dbraw/zinc/88/16/13/757881613.db2.gz FVMOPBSWPHTEBY-MRVPVSSYSA-N 1 1 163.224 1.071 10 0 ADAEMO CC1CC([N@@H+](C)Cc2cncnc2)C1 1137663461 757882097 /nfs/dbraw/zinc/88/20/97/757882097.db2.gz DMILSBBZHOQHIB-UHFFFAOYSA-N 1 1 191.278 1.707 10 0 ADAEMO CCN1CCC[C@H]1CNC1=[NH+]CCC1 88225491 573106855 /nfs/dbraw/zinc/10/68/55/573106855.db2.gz BYXZLXBMQNMKCL-JTQLQIEISA-N 1 1 195.310 1.253 10 0 ADAEMO c1ncc(C[NH+]2CC3(CCC3)C2)cn1 1137664708 757882815 /nfs/dbraw/zinc/88/28/15/757882815.db2.gz NVJJRGJVFLXRAT-UHFFFAOYSA-N 1 1 189.262 1.463 10 0 ADAEMO C[C@H]1CC[N@@H+]1Cc1cncnc1 1137663501 757883055 /nfs/dbraw/zinc/88/30/55/757883055.db2.gz FVMOPBSWPHTEBY-QMMMGPOBSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1cncnc1 1137663501 757883056 /nfs/dbraw/zinc/88/30/56/757883056.db2.gz FVMOPBSWPHTEBY-QMMMGPOBSA-N 1 1 163.224 1.071 10 0 ADAEMO Cc1cc(C[N@H+]2CC[C@H]2C)nn1C 1138826720 757884079 /nfs/dbraw/zinc/88/40/79/757884079.db2.gz QUGFVHKDVXISML-MRVPVSSYSA-N 1 1 179.267 1.323 10 0 ADAEMO Cc1cc(C[N@@H+]2CC[C@H]2C)nn1C 1138826720 757884089 /nfs/dbraw/zinc/88/40/89/757884089.db2.gz QUGFVHKDVXISML-MRVPVSSYSA-N 1 1 179.267 1.323 10 0 ADAEMO C[C@H]1CC[N@@H+]1Cc1cccnc1F 1138783416 757884894 /nfs/dbraw/zinc/88/48/94/757884894.db2.gz QWZQTWRYKBLLQI-QMMMGPOBSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1cccnc1F 1138783416 757884901 /nfs/dbraw/zinc/88/49/01/757884901.db2.gz QWZQTWRYKBLLQI-QMMMGPOBSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@@H]1CC[N@@H+]1Cc1cccnc1F 1138783415 757885953 /nfs/dbraw/zinc/88/59/53/757885953.db2.gz QWZQTWRYKBLLQI-MRVPVSSYSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1cccnc1F 1138783415 757885954 /nfs/dbraw/zinc/88/59/54/757885954.db2.gz QWZQTWRYKBLLQI-MRVPVSSYSA-N 1 1 180.226 1.815 10 0 ADAEMO Cc1cc(C[N@H+]2CC[C@@H]2C)nn1C 1138826721 757887057 /nfs/dbraw/zinc/88/70/57/757887057.db2.gz QUGFVHKDVXISML-QMMMGPOBSA-N 1 1 179.267 1.323 10 0 ADAEMO Cc1cc(C[N@@H+]2CC[C@@H]2C)nn1C 1138826721 757887061 /nfs/dbraw/zinc/88/70/61/757887061.db2.gz QUGFVHKDVXISML-QMMMGPOBSA-N 1 1 179.267 1.323 10 0 ADAEMO CSCCOc1ccc(C)[nH+]c1N 128692298 573112400 /nfs/dbraw/zinc/11/24/00/573112400.db2.gz QOADOEUEPFYKSR-UHFFFAOYSA-N 1 1 198.291 1.714 10 0 ADAEMO c1cnnc(C[N@H+]2CCC3(CC3)C2)c1 1139969356 757888744 /nfs/dbraw/zinc/88/87/44/757888744.db2.gz USTCFLSFZKPOSL-UHFFFAOYSA-N 1 1 189.262 1.463 10 0 ADAEMO C[C@H]1CCC[N@@H+](Cc2cccnn2)C1 1139968184 757888934 /nfs/dbraw/zinc/88/89/34/757888934.db2.gz FOTCKMDUYBMPNU-JTQLQIEISA-N 1 1 191.278 1.709 10 0 ADAEMO COc1ccncc1C[N@@H+](C)C(C)C 1139606132 757889002 /nfs/dbraw/zinc/88/90/02/757889002.db2.gz NQOZCUTVRHFKBP-UHFFFAOYSA-N 1 1 194.278 1.930 10 0 ADAEMO COc1ccncc1C[NH+]1CC=CC1 1139606099 757889087 /nfs/dbraw/zinc/88/90/87/757889087.db2.gz BEMZCHZTCYYTHE-UHFFFAOYSA-N 1 1 190.246 1.462 10 0 ADAEMO C[C@@H]1CC[N@@H+]1Cc1cccnn1 1139969819 757889097 /nfs/dbraw/zinc/88/90/97/757889097.db2.gz FUMCVMOIBSJTTA-MRVPVSSYSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1cccnn1 1139969819 757889099 /nfs/dbraw/zinc/88/90/99/757889099.db2.gz FUMCVMOIBSJTTA-MRVPVSSYSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@@H]1CC[N@@H+]1Cc1ccnc(F)c1 1139830999 757889124 /nfs/dbraw/zinc/88/91/24/757889124.db2.gz OVLUZNQGRPQLBA-MRVPVSSYSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1ccnc(F)c1 1139830999 757889126 /nfs/dbraw/zinc/88/91/26/757889126.db2.gz OVLUZNQGRPQLBA-MRVPVSSYSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2cccnn2)C1 1139970024 757889188 /nfs/dbraw/zinc/88/91/88/757889188.db2.gz LCMZTGORQVOEFZ-SECBINFHSA-N 1 1 177.251 1.318 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1Cc1cccnn1 1139968740 757889436 /nfs/dbraw/zinc/88/94/36/757889436.db2.gz XTUSATDKLGIGJB-SNVBAGLBSA-N 1 1 191.278 1.851 10 0 ADAEMO C[C@H]1CCCC[N@H+]1Cc1cccnn1 1139968739 757889523 /nfs/dbraw/zinc/88/95/23/757889523.db2.gz XTUSATDKLGIGJB-JTQLQIEISA-N 1 1 191.278 1.851 10 0 ADAEMO COc1ccncc1C[N@@H+]1CC[C@@H]1C 1139606557 757889672 /nfs/dbraw/zinc/88/96/72/757889672.db2.gz JZFQWSMLBAITFI-VIFPVBQESA-N 1 1 192.262 1.684 10 0 ADAEMO COc1ccncc1C[N@H+]1CC[C@@H]1C 1139606557 757889681 /nfs/dbraw/zinc/88/96/81/757889681.db2.gz JZFQWSMLBAITFI-VIFPVBQESA-N 1 1 192.262 1.684 10 0 ADAEMO COc1ccncc1C[N@H+](C)C1CC1 1139606103 757889851 /nfs/dbraw/zinc/88/98/51/757889851.db2.gz BKMUJYDZRRFXHE-UHFFFAOYSA-N 1 1 192.262 1.684 10 0 ADAEMO COc1ccncc1C[N@@H+](C)C1CC1 1139606103 757889854 /nfs/dbraw/zinc/88/98/54/757889854.db2.gz BKMUJYDZRRFXHE-UHFFFAOYSA-N 1 1 192.262 1.684 10 0 ADAEMO C[C@@H]1CCC[N@H+]1Cc1cccnn1 1139968561 757889998 /nfs/dbraw/zinc/88/99/98/757889998.db2.gz QJGVBOVGPFREAB-SECBINFHSA-N 1 1 177.251 1.461 10 0 ADAEMO Cc1ccc(C[N@@H+]2CC[C@H]2C)cn1 1139929085 757890092 /nfs/dbraw/zinc/89/00/92/757890092.db2.gz MXPQEPVXDSYLHH-SNVBAGLBSA-N 1 1 176.263 1.984 10 0 ADAEMO c1cnnc(C[N@H+]2CCCC23CC3)c1 1139969831 757890429 /nfs/dbraw/zinc/89/04/29/757890429.db2.gz GFGDVFSQYXSXBL-UHFFFAOYSA-N 1 1 189.262 1.605 10 0 ADAEMO COc1ncc(C[N@@H+]2CC[C@@H]2C)s1 1139812796 757890471 /nfs/dbraw/zinc/89/04/71/757890471.db2.gz CGBQENQQLZWEEO-ZETCQYMHSA-N 1 1 198.291 1.746 10 0 ADAEMO COc1ncc(C[N@H+]2CC[C@@H]2C)s1 1139812796 757890473 /nfs/dbraw/zinc/89/04/73/757890473.db2.gz CGBQENQQLZWEEO-ZETCQYMHSA-N 1 1 198.291 1.746 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2cccnn2)C1 1139970025 757890740 /nfs/dbraw/zinc/89/07/40/757890740.db2.gz LCMZTGORQVOEFZ-VIFPVBQESA-N 1 1 177.251 1.318 10 0 ADAEMO C[C@H]1CC[N@@H+]1Cc1cccnn1 1139969820 757890839 /nfs/dbraw/zinc/89/08/39/757890839.db2.gz FUMCVMOIBSJTTA-QMMMGPOBSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1cccnn1 1139969820 757890841 /nfs/dbraw/zinc/89/08/41/757890841.db2.gz FUMCVMOIBSJTTA-QMMMGPOBSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@@H]1CCC[N@@H+](Cc2cccnn2)C1 1139968185 757890938 /nfs/dbraw/zinc/89/09/38/757890938.db2.gz FOTCKMDUYBMPNU-SNVBAGLBSA-N 1 1 191.278 1.709 10 0 ADAEMO CN[C@@H](c1ccc(C)cc1C)[C@H](C)[NH3+] 259333463 573112535 /nfs/dbraw/zinc/11/25/35/573112535.db2.gz JDSOBCFIXSYMLM-CMPLNLGQSA-N 1 1 192.306 1.911 10 0 ADAEMO COc1ccncc1C[N@@H+]1CC[C@H]1C 1139606555 757891352 /nfs/dbraw/zinc/89/13/52/757891352.db2.gz JZFQWSMLBAITFI-SECBINFHSA-N 1 1 192.262 1.684 10 0 ADAEMO COc1ccncc1C[N@H+]1CC[C@H]1C 1139606555 757891355 /nfs/dbraw/zinc/89/13/55/757891355.db2.gz JZFQWSMLBAITFI-SECBINFHSA-N 1 1 192.262 1.684 10 0 ADAEMO COc1ccncc1C[NH+]1CC(C)C1 1139606165 757891370 /nfs/dbraw/zinc/89/13/70/757891370.db2.gz CWQXMDVUVAAFNP-UHFFFAOYSA-N 1 1 192.262 1.542 10 0 ADAEMO COc1ncc(C[N@@H+]2CC[C@H]2C)s1 1139812795 757891415 /nfs/dbraw/zinc/89/14/15/757891415.db2.gz CGBQENQQLZWEEO-SSDOTTSWSA-N 1 1 198.291 1.746 10 0 ADAEMO COc1ncc(C[N@H+]2CC[C@H]2C)s1 1139812795 757891422 /nfs/dbraw/zinc/89/14/22/757891422.db2.gz CGBQENQQLZWEEO-SSDOTTSWSA-N 1 1 198.291 1.746 10 0 ADAEMO CC(=O)C(C)(C)C[N@H+]1CCC[C@@H](O)C1 85677584 573112543 /nfs/dbraw/zinc/11/25/43/573112543.db2.gz ZLOHPCRCXPPNQG-SNVBAGLBSA-N 1 1 199.294 1.058 10 0 ADAEMO CC1CC([N@@H+](C)Cc2cccnn2)C1 1139970007 757891456 /nfs/dbraw/zinc/89/14/56/757891456.db2.gz KGPMPRRLZYCTQQ-UHFFFAOYSA-N 1 1 191.278 1.707 10 0 ADAEMO Cc1ccc(C[N@@H+]2CC[C@@H]2C)cn1 1139929084 757891547 /nfs/dbraw/zinc/89/15/47/757891547.db2.gz MXPQEPVXDSYLHH-JTQLQIEISA-N 1 1 176.263 1.984 10 0 ADAEMO CC(C)C[N@@H+](C)Cc1ccnnc1 1139980546 757894366 /nfs/dbraw/zinc/89/43/66/757894366.db2.gz SEVNNYFSXCIZRE-UHFFFAOYSA-N 1 1 179.267 1.564 10 0 ADAEMO C[C@H]1CC[N@@H+]1Cc1ccnc(F)c1 1139831001 757891670 /nfs/dbraw/zinc/89/16/70/757891670.db2.gz OVLUZNQGRPQLBA-QMMMGPOBSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1ccnc(F)c1 1139831001 757891672 /nfs/dbraw/zinc/89/16/72/757891672.db2.gz OVLUZNQGRPQLBA-QMMMGPOBSA-N 1 1 180.226 1.815 10 0 ADAEMO CC1(C)C[NH+](Cc2ccnnc2)C1 1139980551 757892889 /nfs/dbraw/zinc/89/28/89/757892889.db2.gz SHPMXCQSNWPJTF-UHFFFAOYSA-N 1 1 177.251 1.318 10 0 ADAEMO c1cnnc(C[N@H+]2CCC[C@H]3C[C@H]32)c1 1139973648 757893338 /nfs/dbraw/zinc/89/33/38/757893338.db2.gz CDPFDCFGHBNCSP-GXSJLCMTSA-N 1 1 189.262 1.461 10 0 ADAEMO O=C1CC[C@H]2CCC[N@H+]2CC1 114730073 573112636 /nfs/dbraw/zinc/11/26/36/573112636.db2.gz NSFSERJXBOKGST-MRVPVSSYSA-N 1 1 153.225 1.204 10 0 ADAEMO C[N@@H+](Cc1ccnnc1)C(C)(C)C 1139982811 757893606 /nfs/dbraw/zinc/89/36/06/757893606.db2.gz BWJMSKNNDNLPTI-UHFFFAOYSA-N 1 1 179.267 1.707 10 0 ADAEMO c1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cnn1 1139986178 757893687 /nfs/dbraw/zinc/89/36/87/757893687.db2.gz CAMHSIWPNPOBPX-MNOVXSKESA-N 1 1 189.262 1.461 10 0 ADAEMO CCCC[N@@H+](C)Cc1ccnnc1 1139980669 757894004 /nfs/dbraw/zinc/89/40/04/757894004.db2.gz WPTOXBNQGQNRMD-UHFFFAOYSA-N 1 1 179.267 1.709 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)Cc1ccnnc1 1139981404 757894158 /nfs/dbraw/zinc/89/41/58/757894158.db2.gz HZFWLQLSEMJKNK-SECBINFHSA-N 1 1 179.267 1.707 10 0 ADAEMO CCC[N@@H+](CC)Cc1ccnnc1 1139980247 757894219 /nfs/dbraw/zinc/89/42/19/757894219.db2.gz LAMQMFIIQOCNAD-UHFFFAOYSA-N 1 1 179.267 1.709 10 0 ADAEMO CCC[N@@H+](C)Cc1ccnnc1 1139980372 757894320 /nfs/dbraw/zinc/89/43/20/757894320.db2.gz PGLHTFGBLQZIHQ-UHFFFAOYSA-N 1 1 165.240 1.318 10 0 ADAEMO c1cnnc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1 1139973649 757894460 /nfs/dbraw/zinc/89/44/60/757894460.db2.gz CDPFDCFGHBNCSP-KOLCDFICSA-N 1 1 189.262 1.461 10 0 ADAEMO C[N@@H+](Cc1ccnnc1)C1CC1 1139980533 757894579 /nfs/dbraw/zinc/89/45/79/757894579.db2.gz RRFBHOBBCHCALJ-UHFFFAOYSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@@H]1CCC[N@H+]1Cc1ccnnc1 1139980443 757894625 /nfs/dbraw/zinc/89/46/25/757894625.db2.gz QMSYESJKKITIAY-SECBINFHSA-N 1 1 177.251 1.461 10 0 ADAEMO CSCC[N@@H+](C)Cc1ccnnc1 1139986164 757894667 /nfs/dbraw/zinc/89/46/67/757894667.db2.gz BHTGBAHGJXUBBG-UHFFFAOYSA-N 1 1 197.307 1.271 10 0 ADAEMO C[C@H]1CCC[N@H+]1Cc1ccnnc1 1139980449 757894595 /nfs/dbraw/zinc/89/45/95/757894595.db2.gz QMSYESJKKITIAY-VIFPVBQESA-N 1 1 177.251 1.461 10 0 ADAEMO CC[N@@H+](Cc1ccnnc1)C(C)C 1139980280 757894895 /nfs/dbraw/zinc/89/48/95/757894895.db2.gz MFBRXTCMXJKBBQ-UHFFFAOYSA-N 1 1 179.267 1.707 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2ccnnc2)C1 1139981471 757894909 /nfs/dbraw/zinc/89/49/09/757894909.db2.gz KDLMZMXKLHIXPS-SECBINFHSA-N 1 1 177.251 1.318 10 0 ADAEMO CC[N@@H+](Cc1ccnnc1)C1CC1 1139980743 757895287 /nfs/dbraw/zinc/89/52/87/757895287.db2.gz YCZVKPLXYXSFSI-UHFFFAOYSA-N 1 1 177.251 1.461 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1ccnnc1 1139981984 757895363 /nfs/dbraw/zinc/89/53/63/757895363.db2.gz XCDIPZWLRVYXKC-QMMMGPOBSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ccnnc2)C1 1139981472 757895497 /nfs/dbraw/zinc/89/54/97/757895497.db2.gz KDLMZMXKLHIXPS-VIFPVBQESA-N 1 1 177.251 1.318 10 0 ADAEMO CC[C@H](C)[N@@H+](C)Cc1ccnnc1 1139981405 757895515 /nfs/dbraw/zinc/89/55/15/757895515.db2.gz HZFWLQLSEMJKNK-VIFPVBQESA-N 1 1 179.267 1.707 10 0 ADAEMO C[N@H+](Cc1ccnnc1)CC1CC1 1139980750 757895548 /nfs/dbraw/zinc/89/55/48/757895548.db2.gz YFOHDTSUUKHSNI-UHFFFAOYSA-N 1 1 177.251 1.318 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1ccnnc1 1139981983 757896035 /nfs/dbraw/zinc/89/60/35/757896035.db2.gz XCDIPZWLRVYXKC-MRVPVSSYSA-N 1 1 163.224 1.071 10 0 ADAEMO CC(C)[N@@H+](C)Cc1ccnnc1 1139980194 757896141 /nfs/dbraw/zinc/89/61/41/757896141.db2.gz JZTLCPJYZBWDIL-UHFFFAOYSA-N 1 1 165.240 1.317 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1Cc1ccncn1 1140345097 757896944 /nfs/dbraw/zinc/89/69/44/757896944.db2.gz IBPXDMHYDRIGBS-SNVBAGLBSA-N 1 1 191.278 1.851 10 0 ADAEMO c1cc(C[NH+]2CCSCC2)cnn1 1139981757 757896229 /nfs/dbraw/zinc/89/62/29/757896229.db2.gz RJCLKRUCQNWLMI-UHFFFAOYSA-N 1 1 195.291 1.025 10 0 ADAEMO C[C@@H]1CCC[N@@H+](Cc2ccncn2)C1 1140345004 757896878 /nfs/dbraw/zinc/89/68/78/757896878.db2.gz FKASEYKERYEMGN-SNVBAGLBSA-N 1 1 191.278 1.709 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ccncn2)C1 1140346089 757896987 /nfs/dbraw/zinc/89/69/87/757896987.db2.gz NNMQZBODYILRED-VIFPVBQESA-N 1 1 177.251 1.318 10 0 ADAEMO C[C@H]1CC[N@@H+]1Cc1ccncn1 1140345036 757897014 /nfs/dbraw/zinc/89/70/14/757897014.db2.gz GOWWNFURUFFEFU-QMMMGPOBSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1ccncn1 1140345036 757897021 /nfs/dbraw/zinc/89/70/21/757897021.db2.gz GOWWNFURUFFEFU-QMMMGPOBSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@H]1CC[N@@H+]1Cc1cccc(F)n1 1140131839 757897307 /nfs/dbraw/zinc/89/73/07/757897307.db2.gz WAKHDMRQVQCPHA-QMMMGPOBSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1cccc(F)n1 1140131839 757897309 /nfs/dbraw/zinc/89/73/09/757897309.db2.gz WAKHDMRQVQCPHA-QMMMGPOBSA-N 1 1 180.226 1.815 10 0 ADAEMO c1cc(C[N@H+]2CCC[C@H]3C[C@H]32)ncn1 1140351495 757897469 /nfs/dbraw/zinc/89/74/69/757897469.db2.gz YLXBZUDTCVDGRQ-GXSJLCMTSA-N 1 1 189.262 1.461 10 0 ADAEMO C[C@H]1CCC[N@@H+](Cc2ccncn2)C1 1140345003 757897915 /nfs/dbraw/zinc/89/79/15/757897915.db2.gz FKASEYKERYEMGN-JTQLQIEISA-N 1 1 191.278 1.709 10 0 ADAEMO CC1CC([N@@H+](C)Cc2ccncn2)C1 1140344515 757898025 /nfs/dbraw/zinc/89/80/25/757898025.db2.gz CGPZGYGSPVHWPN-UHFFFAOYSA-N 1 1 191.278 1.707 10 0 ADAEMO C[C@@H]1CC[N@@H+]1Cc1ccncn1 1140345035 757898383 /nfs/dbraw/zinc/89/83/83/757898383.db2.gz GOWWNFURUFFEFU-MRVPVSSYSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1ccncn1 1140345035 757898387 /nfs/dbraw/zinc/89/83/87/757898387.db2.gz GOWWNFURUFFEFU-MRVPVSSYSA-N 1 1 163.224 1.071 10 0 ADAEMO C[C@H]1CCC[N@H+]1Cc1ccncn1 1140346974 757898433 /nfs/dbraw/zinc/89/84/33/757898433.db2.gz TYVMKUOZQRPOBG-VIFPVBQESA-N 1 1 177.251 1.461 10 0 ADAEMO C[C@@H]1CCC[N@H+]1Cc1ccncn1 1140346627 757898492 /nfs/dbraw/zinc/89/84/92/757898492.db2.gz TYVMKUOZQRPOBG-SECBINFHSA-N 1 1 177.251 1.461 10 0 ADAEMO c1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)ncn1 1140351496 757898937 /nfs/dbraw/zinc/89/89/37/757898937.db2.gz YLXBZUDTCVDGRQ-KOLCDFICSA-N 1 1 189.262 1.461 10 0 ADAEMO CC1(C)C[NH+](Cc2ccncn2)C1 1140347035 757899107 /nfs/dbraw/zinc/89/91/07/757899107.db2.gz WKOAMCJTLFSYMS-UHFFFAOYSA-N 1 1 177.251 1.318 10 0 ADAEMO c1cc(C[NH+]2CC3(CCC3)C2)ncn1 1140342932 757899114 /nfs/dbraw/zinc/89/91/14/757899114.db2.gz FBCCFNNNIZYBSM-UHFFFAOYSA-N 1 1 189.262 1.463 10 0 ADAEMO C[NH2+][C@@H](C)C(C)(C)CN(C)C 85678345 573117693 /nfs/dbraw/zinc/11/76/93/573117693.db2.gz JDAJUBZPYFSWGV-QMMMGPOBSA-N 1 1 158.289 1.182 10 0 ADAEMO C[C@@H]1CC[N@@H+]1Cc1cccc(F)n1 1140131838 757900073 /nfs/dbraw/zinc/90/00/73/757900073.db2.gz WAKHDMRQVQCPHA-MRVPVSSYSA-N 1 1 180.226 1.815 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1cccc(F)n1 1140131838 757900078 /nfs/dbraw/zinc/90/00/78/757900078.db2.gz WAKHDMRQVQCPHA-MRVPVSSYSA-N 1 1 180.226 1.815 10 0 ADAEMO c1cc(C[N@H+]2CCC3(CC3)C2)ncn1 1140343528 757900092 /nfs/dbraw/zinc/90/00/92/757900092.db2.gz SCZBGQKHHHZMFL-UHFFFAOYSA-N 1 1 189.262 1.463 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2ccncn2)C1 1140346088 757900751 /nfs/dbraw/zinc/90/07/51/757900751.db2.gz NNMQZBODYILRED-SECBINFHSA-N 1 1 177.251 1.318 10 0 ADAEMO CC[C@H](C)[C@]1([NH3+])CC[N@@H+](CC)C1 642827619 573117727 /nfs/dbraw/zinc/11/77/27/573117727.db2.gz USSIMUAQKHASKZ-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H](C)[C@]1([NH3+])CCN(CC)C1 642827619 573117731 /nfs/dbraw/zinc/11/77/31/573117731.db2.gz USSIMUAQKHASKZ-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCc1nnc(C[C@H]([NH3+])CCC)[nH]1 128735182 573117774 /nfs/dbraw/zinc/11/77/74/573117774.db2.gz IGLIBMZJGCSOGE-MRVPVSSYSA-N 1 1 196.298 1.427 10 0 ADAEMO CCCc1nc(C[C@H]([NH3+])CCC)n[nH]1 128735182 573117775 /nfs/dbraw/zinc/11/77/75/573117775.db2.gz IGLIBMZJGCSOGE-MRVPVSSYSA-N 1 1 196.298 1.427 10 0 ADAEMO C[C@@H]1CC[C@H]2[NH2+][C@H](C)CC[C@H]2N1 143991004 573117785 /nfs/dbraw/zinc/11/77/85/573117785.db2.gz LQPIKJMBUZADGZ-ZYUZMQFOSA-N 1 1 168.284 1.267 10 0 ADAEMO C[C@H]1CCCC[N@H+]1Cc1ccncn1 1140345095 757903363 /nfs/dbraw/zinc/90/33/63/757903363.db2.gz IBPXDMHYDRIGBS-JTQLQIEISA-N 1 1 191.278 1.851 10 0 ADAEMO CC(C)C[C@@H](N)C[NH2+]CC(C)(C)C 40494955 573117855 /nfs/dbraw/zinc/11/78/55/573117855.db2.gz FHVQLKIZXCLMOT-SNVBAGLBSA-N 1 1 186.343 1.996 10 0 ADAEMO CNCC[N@H+](C)[C@@H]1CCCC[C@@H]1C 42609934 573120494 /nfs/dbraw/zinc/12/04/94/573120494.db2.gz DBJVUEZVJYBXCN-WDEREUQCSA-N 1 1 184.327 1.716 10 0 ADAEMO CNCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42609934 573120497 /nfs/dbraw/zinc/12/04/97/573120497.db2.gz DBJVUEZVJYBXCN-WDEREUQCSA-N 1 1 184.327 1.716 10 0 ADAEMO C[N@H+]1CCC[C@@H]1C/C=C\CO 258236230 573120501 /nfs/dbraw/zinc/12/05/01/573120501.db2.gz PSXWYWHANGGTHW-XADBCAIWSA-N 1 1 155.241 1.019 10 0 ADAEMO COc1nccc(C[N@@H+]2CC[C@H]2C)n1 1140690783 757905161 /nfs/dbraw/zinc/90/51/61/757905161.db2.gz HNHCHQVKUDEZQC-MRVPVSSYSA-N 1 1 193.250 1.079 10 0 ADAEMO COc1nccc(C[N@H+]2CC[C@H]2C)n1 1140690783 757905194 /nfs/dbraw/zinc/90/51/94/757905194.db2.gz HNHCHQVKUDEZQC-MRVPVSSYSA-N 1 1 193.250 1.079 10 0 ADAEMO C[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)N(C)C 308273766 573120575 /nfs/dbraw/zinc/12/05/75/573120575.db2.gz UEQQJJGTCDCPLK-UWVGGRQHSA-N 1 1 184.327 1.667 10 0 ADAEMO CCC[N@@H+](CCN)C(CC)CC 82596548 573121716 /nfs/dbraw/zinc/12/17/16/573121716.db2.gz YVBCJNICTQIHCD-UHFFFAOYSA-N 1 1 172.316 1.846 10 0 ADAEMO COc1nccc(C[N@@H+]2CC[C@@H]2C)n1 1140690784 757909382 /nfs/dbraw/zinc/90/93/82/757909382.db2.gz HNHCHQVKUDEZQC-QMMMGPOBSA-N 1 1 193.250 1.079 10 0 ADAEMO COc1nccc(C[N@H+]2CC[C@@H]2C)n1 1140690784 757909407 /nfs/dbraw/zinc/90/94/07/757909407.db2.gz HNHCHQVKUDEZQC-QMMMGPOBSA-N 1 1 193.250 1.079 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCC[C@@H]1CN 82595114 573121806 /nfs/dbraw/zinc/12/18/06/573121806.db2.gz OBEKBDZOPDSMFW-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@H](F)CC[N@@H+](C)[C@H]1CCCOC1 308268520 573121812 /nfs/dbraw/zinc/12/18/12/573121812.db2.gz QYSCZNSBNQARJG-UWVGGRQHSA-N 1 1 189.274 1.845 10 0 ADAEMO Cc1ncccc1N[C@@H]1CC[N@H+](C)C1 85712274 573121824 /nfs/dbraw/zinc/12/18/24/573121824.db2.gz GASIPWKWMZXQKA-SNVBAGLBSA-N 1 1 191.278 1.506 10 0 ADAEMO C[N@H+]1CCC[C@H]1C/C=C\CO 258236227 573121913 /nfs/dbraw/zinc/12/19/13/573121913.db2.gz PSXWYWHANGGTHW-PKRMOACSSA-N 1 1 155.241 1.019 10 0 ADAEMO C[C@@H](F)CC[N@@H+](C)[C@H]1CCCOC1 308268864 573121923 /nfs/dbraw/zinc/12/19/23/573121923.db2.gz QYSCZNSBNQARJG-ZJUUUORDSA-N 1 1 189.274 1.845 10 0 ADAEMO Cc1[nH+]ccn1Cc1ccco1 82615271 573128424 /nfs/dbraw/zinc/12/84/24/573128424.db2.gz VGEHOBLRYGKKSQ-UHFFFAOYSA-N 1 1 162.192 1.833 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1ccc(CO)o1 1140678579 757916464 /nfs/dbraw/zinc/91/64/64/757916464.db2.gz BLYDZAAWBHCGEE-MRVPVSSYSA-N 1 1 181.235 1.366 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1ccc(CO)o1 1140678580 757918339 /nfs/dbraw/zinc/91/83/39/757918339.db2.gz BLYDZAAWBHCGEE-QMMMGPOBSA-N 1 1 181.235 1.366 10 0 ADAEMO C[N@H+]1CCC[C@@H](c2nc(C=O)co2)C1 257952797 573134865 /nfs/dbraw/zinc/13/48/65/573134865.db2.gz FXUKKKHAQJVYFU-MRVPVSSYSA-N 1 1 194.234 1.296 10 0 ADAEMO CCc1nc2cccc(C[NH3+])c2[nH]1 82634191 573139373 /nfs/dbraw/zinc/13/93/73/573139373.db2.gz XVJLHRVAQWWCJF-UHFFFAOYSA-N 1 1 175.235 1.584 10 0 ADAEMO OCc1ccc(C[NH+]2CC=CC2)o1 1140680393 757920464 /nfs/dbraw/zinc/92/04/64/757920464.db2.gz AAIHTAYMRFDPMG-UHFFFAOYSA-N 1 1 179.219 1.144 10 0 ADAEMO C[C@H]1C[C@H]1CN(C)c1[nH+]cccc1N 82648184 573146626 /nfs/dbraw/zinc/14/66/26/573146626.db2.gz QNUAZFXHHFDEJK-IUCAKERBSA-N 1 1 191.278 1.756 10 0 ADAEMO Cc1ccc(F)cc1[C@@H](N)C[NH+](C)C 85798443 573146685 /nfs/dbraw/zinc/14/66/85/573146685.db2.gz BPJIWNVXFUWTJE-NSHDSACASA-N 1 1 196.269 1.696 10 0 ADAEMO CCc1[nH]c(C2([NH3+])CC2)nc1C 258551940 573146739 /nfs/dbraw/zinc/14/67/39/573146739.db2.gz KWUQEXHMRVDELF-UHFFFAOYSA-N 1 1 165.240 1.228 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1C(C)=O 82645032 573146765 /nfs/dbraw/zinc/14/67/65/573146765.db2.gz GXZHUUDYVRFPDH-VIFPVBQESA-N 1 1 155.241 1.450 10 0 ADAEMO CC(=O)[C@H]1CCCC[N@@H+]1C(C)C 82644987 573146853 /nfs/dbraw/zinc/14/68/53/573146853.db2.gz XYLSIJCDPNVMRY-SNVBAGLBSA-N 1 1 169.268 1.838 10 0 ADAEMO CC[C@H]1CCCC[C@@H]1[NH+]1CC(N)C1 82659092 573148105 /nfs/dbraw/zinc/14/81/05/573148105.db2.gz 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CC(C)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 85793214 573152584 /nfs/dbraw/zinc/15/25/84/573152584.db2.gz MXGIUEQWOAHXIW-ZJUUUORDSA-N 1 1 197.278 1.075 10 0 ADAEMO Cc1nccnc1C[N@@H+]1CC[C@H]1C 1140934721 757939467 /nfs/dbraw/zinc/93/94/67/757939467.db2.gz UWPFXHNCCCNKQY-MRVPVSSYSA-N 1 1 177.251 1.379 10 0 ADAEMO CC(C)[N@H+]1CC[C@](N)(C(F)(F)F)C1 82670684 573152616 /nfs/dbraw/zinc/15/26/16/573152616.db2.gz WPHMXZPNJNGWBV-SSDOTTSWSA-N 1 1 196.216 1.360 10 0 ADAEMO Cc1nccnc1C[NH+]1CC=CC1 1140935378 757940363 /nfs/dbraw/zinc/94/03/63/757940363.db2.gz PNQSKAAGAPALNE-UHFFFAOYSA-N 1 1 175.235 1.157 10 0 ADAEMO Cc1nccnc1C[N@@H+]1CC[C@@H]1C 1140934722 757942282 /nfs/dbraw/zinc/94/22/82/757942282.db2.gz UWPFXHNCCCNKQY-QMMMGPOBSA-N 1 1 177.251 1.379 10 0 ADAEMO C[C@H]([NH3+])c1nc(CC(C)(C)C)no1 82673283 573153863 /nfs/dbraw/zinc/15/38/63/573153863.db2.gz GGVKTPMEVYYPIF-LURJTMIESA-N 1 1 183.255 1.678 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1ccc(N)c(C)c1 104666667 573153865 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KJOAFIZKOHVMEQ-RBLKWDMZSA-N 1 1 194.322 1.467 10 0 ADAEMO C[C@H]1C[NH2+][C@H](C)CN1[C@@H]1C[C@@H]1C1CC1 716623362 573235624 /nfs/dbraw/zinc/23/56/24/573235624.db2.gz KJOAFIZKOHVMEQ-RBLKWDMZSA-N 1 1 194.322 1.467 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)[C@@H]1C 259387601 573235637 /nfs/dbraw/zinc/23/56/37/573235637.db2.gz WRLNGUWWAKYPCH-GARJFASQSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H]1C[C@@H](C)CC([NH3+])(CN)C1 82849683 573235698 /nfs/dbraw/zinc/23/56/98/573235698.db2.gz HHEQNCNNTGMLBS-HTQZYQBOSA-N 1 1 156.273 1.099 10 0 ADAEMO CO[C@H]1C[C@@H]([N@@H+](C)CC[C@@H](C)F)C1 308323759 573235777 /nfs/dbraw/zinc/23/57/77/573235777.db2.gz DFDAAIVYBMOFEU-BBBLOLIVSA-N 1 1 189.274 1.844 10 0 ADAEMO CCC1(C[N@H+](C)C[C@H](C)N)CCC1 308323550 573235797 /nfs/dbraw/zinc/23/57/97/573235797.db2.gz DDALTVFQPXIYSE-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CCC1(C[N@@H+](C)C[C@H](C)N)CCC1 308323550 573235800 /nfs/dbraw/zinc/23/58/00/573235800.db2.gz DDALTVFQPXIYSE-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[N@H+](CCOC)C(C)(C)CN 50091163 573235823 /nfs/dbraw/zinc/23/58/23/573235823.db2.gz PRRPHKSFXGVLHP-UHFFFAOYSA-N 1 1 188.315 1.082 10 0 ADAEMO CCC[N@@H+](CCOC)C(C)(C)CN 50091163 573235829 /nfs/dbraw/zinc/23/58/29/573235829.db2.gz PRRPHKSFXGVLHP-UHFFFAOYSA-N 1 1 188.315 1.082 10 0 ADAEMO CCCN(CCOC)C(C)(C)C[NH3+] 50091163 573235832 /nfs/dbraw/zinc/23/58/32/573235832.db2.gz PRRPHKSFXGVLHP-UHFFFAOYSA-N 1 1 188.315 1.082 10 0 ADAEMO CCC[NH2+][C@]1(C(=O)OC)CCC1(C)C 308528820 573236046 /nfs/dbraw/zinc/23/60/46/573236046.db2.gz KAOYHBGCALAHGN-NSHDSACASA-N 1 1 199.294 1.718 10 0 ADAEMO CSC(=[NH2+])[C@@H]1CCC[N@@H+](C)C1 259041575 573236061 /nfs/dbraw/zinc/23/60/61/573236061.db2.gz CIFLOIQTXKKQAE-SSDOTTSWSA-N 1 1 172.297 1.668 10 0 ADAEMO CSC(=N)[C@@H]1CCC[N@H+](C)C1 259041575 573236064 /nfs/dbraw/zinc/23/60/64/573236064.db2.gz CIFLOIQTXKKQAE-SSDOTTSWSA-N 1 1 172.297 1.668 10 0 ADAEMO CSC(=N)[C@@H]1CCC[N@@H+](C)C1 259041575 573236070 /nfs/dbraw/zinc/23/60/70/573236070.db2.gz CIFLOIQTXKKQAE-SSDOTTSWSA-N 1 1 172.297 1.668 10 0 ADAEMO CSC(=[NH2+])[C@H]1CCC[N@@H+](C)C1 259041576 573236079 /nfs/dbraw/zinc/23/60/79/573236079.db2.gz CIFLOIQTXKKQAE-ZETCQYMHSA-N 1 1 172.297 1.668 10 0 ADAEMO CSC(=N)[C@H]1CCC[N@H+](C)C1 259041576 573236085 /nfs/dbraw/zinc/23/60/85/573236085.db2.gz CIFLOIQTXKKQAE-ZETCQYMHSA-N 1 1 172.297 1.668 10 0 ADAEMO CSC(=N)[C@H]1CCC[N@@H+](C)C1 259041576 573236090 /nfs/dbraw/zinc/23/60/90/573236090.db2.gz CIFLOIQTXKKQAE-ZETCQYMHSA-N 1 1 172.297 1.668 10 0 ADAEMO CC[C@H]1C[C@H](C(C)=O)C[N@@H+](C)C1 238323213 573235610 /nfs/dbraw/zinc/23/56/10/573235610.db2.gz MWCUVYPAEPFYQC-UWVGGRQHSA-N 1 1 169.268 1.553 10 0 ADAEMO C[N@H+]1CC[C@H](Oc2cnsc2)C1 258604540 573238717 /nfs/dbraw/zinc/23/87/17/573238717.db2.gz QVEOVDGSSWONLH-ZETCQYMHSA-N 1 1 184.264 1.226 10 0 ADAEMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CCOC 308323233 573238719 /nfs/dbraw/zinc/23/87/19/573238719.db2.gz CWHPLXVDFLXLDW-NXEZZACHSA-N 1 1 189.299 1.114 10 0 ADAEMO C[C@@H](F)CC[N@H+]1CCC[C@H]1CCO 393578304 573238720 /nfs/dbraw/zinc/23/87/20/573238720.db2.gz BNZQEMCRIXKIAV-ZJUUUORDSA-N 1 1 189.274 1.581 10 0 ADAEMO CC[C@H]([NH2+]C)[C@H]1CCCCN1 259389948 573238746 /nfs/dbraw/zinc/23/87/46/573238746.db2.gz MHFOGWQHJVVVJY-DTWKUNHWSA-N 1 1 156.273 1.127 10 0 ADAEMO COC(C[N@H+]1CCC12CCC2)OC 308315695 573238880 /nfs/dbraw/zinc/23/88/80/573238880.db2.gz WNUVVSAVBWLZSI-UHFFFAOYSA-N 1 1 185.267 1.234 10 0 ADAEMO C[C@@H]1CC[C@@]([NH3+])(CN)[C@H](C)C1 82859982 573238939 /nfs/dbraw/zinc/23/89/39/573238939.db2.gz KAZKKZYMWFDOHG-IWSPIJDZSA-N 1 1 156.273 1.099 10 0 ADAEMO C[C@H](F)CC[N@H+]1CCC[C@@H]1CCO 393578302 573239072 /nfs/dbraw/zinc/23/90/72/573239072.db2.gz BNZQEMCRIXKIAV-VHSXEESVSA-N 1 1 189.274 1.581 10 0 ADAEMO CC[C@@](C)(CN)[N@@H+](C)CCCOC 50091544 573239086 /nfs/dbraw/zinc/23/90/86/573239086.db2.gz NBMHJTVSODHEAZ-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO CC[C@@](C)(C[NH3+])N(C)CCCOC 50091544 573239088 /nfs/dbraw/zinc/23/90/88/573239088.db2.gz NBMHJTVSODHEAZ-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO C[N@@H+]1C[C@@H]2NCc3ccsc3[C@@H]2C1 238314665 573239099 /nfs/dbraw/zinc/23/90/99/573239099.db2.gz SDYANUWRMNVHSP-BDAKNGLRSA-N 1 1 194.303 1.249 10 0 ADAEMO C[N@H+]1C[C@@H]2NCc3ccsc3[C@@H]2C1 238314665 573239104 /nfs/dbraw/zinc/23/91/04/573239104.db2.gz SDYANUWRMNVHSP-BDAKNGLRSA-N 1 1 194.303 1.249 10 0 ADAEMO CC[C@H]1N[C@H](CC)[C@@H](CC)C[NH2+]1 238314506 573239136 /nfs/dbraw/zinc/23/91/36/573239136.db2.gz FXLFFCJMOHLMKV-IVZWLZJFSA-N 1 1 170.300 1.720 10 0 ADAEMO C/C=C\C[N@H+](C)CCOCCOC 308323243 573239237 /nfs/dbraw/zinc/23/92/37/573239237.db2.gz CWLOLFYOQVVGHE-PLNGDYQASA-N 1 1 187.283 1.157 10 0 ADAEMO CN[C@@H](C(C)C)[NH+]1CCCCC1 238314380 573240572 /nfs/dbraw/zinc/24/05/72/573240572.db2.gz RIACAIHGYAXKPV-SNVBAGLBSA-N 1 1 170.300 1.674 10 0 ADAEMO CC1CCC([N@H+]2CCC[C@H]2CN)CC1 82856482 573240706 /nfs/dbraw/zinc/24/07/06/573240706.db2.gz NEAYHGZHDOWFDH-MCIGGMRASA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@H+]1CCC[C@H](C(C)(F)F)C1 259044618 573240921 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199.294 1.201 10 0 ADAEMO C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])(N(C)C)C1 82859864 573241585 /nfs/dbraw/zinc/24/15/85/573241585.db2.gz XCSBVFMPAGOORL-GMTAPVOTSA-N 1 1 184.327 1.702 10 0 ADAEMO C/C=C\C[N@H+]1CCC[C@H](C)[C@H]1CO 308320018 573242004 /nfs/dbraw/zinc/24/20/04/573242004.db2.gz XWQYGAVIUDIWJH-CBZSPVTBSA-N 1 1 183.295 1.655 10 0 ADAEMO CCC[C@H](C1CC1)[N@H+]1C[C@H](C)[C@H](N)C1 308521622 573242043 /nfs/dbraw/zinc/24/20/43/573242043.db2.gz HYUPDMROVLGLOB-MVWJERBFSA-N 1 1 196.338 1.844 10 0 ADAEMO CC1CCC([N@H+]2CCC[C@@H]2CN)CC1 82856481 573242085 /nfs/dbraw/zinc/24/20/85/573242085.db2.gz NEAYHGZHDOWFDH-HTAVTVPLSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(=O)CCCC[N@H+]1CCC[C@H]1CO 50150248 573242129 /nfs/dbraw/zinc/24/21/29/573242129.db2.gz CMFUZPKSEHCDAD-NSHDSACASA-N 1 1 199.294 1.202 10 0 ADAEMO CC1CCC(n2cnc(C[NH3+])n2)CC1 82856473 573242220 /nfs/dbraw/zinc/24/22/20/573242220.db2.gz ZPJNGRKOVIPIDP-UHFFFAOYSA-N 1 1 194.282 1.488 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(Cl)[nH]1 259046078 573242227 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199.225 1.699 10 0 ADAEMO CC(C)[C@H]1CC[C@H]1[NH2+]CCCN(C)C 308521878 573242916 /nfs/dbraw/zinc/24/29/16/573242916.db2.gz PCIHPDAOSQZPTJ-VXGBXAGGSA-N 1 1 198.354 1.962 10 0 ADAEMO CC[N@@H+](C)Cc1ccc(N)cc1F 82864736 573242964 /nfs/dbraw/zinc/24/29/64/573242964.db2.gz MBDZJKXHNZKHBP-UHFFFAOYSA-N 1 1 182.242 1.860 10 0 ADAEMO C/C=C/C[N@@H+](C)C1(CO)CCCC1 308320727 573243060 /nfs/dbraw/zinc/24/30/60/573243060.db2.gz YMAMHGBLZYBPIS-ONEGZZNKSA-N 1 1 183.295 1.799 10 0 ADAEMO C[N@H+]1CCC[C@@H]1Cc1cc(C=O)no1 259390671 573243310 /nfs/dbraw/zinc/24/33/10/573243310.db2.gz WSVYILZSWMGHHA-SECBINFHSA-N 1 1 194.234 1.124 10 0 ADAEMO CN[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] 259390414 573243351 /nfs/dbraw/zinc/24/33/51/573243351.db2.gz LKMUBXBXFOLMRI-MWLCHTKSSA-N 1 1 178.279 1.603 10 0 ADAEMO C[C@H](CCCO)[N@H+]1C[C@H]2CCC[C@@H]21 308320578 573243389 /nfs/dbraw/zinc/24/33/89/573243389.db2.gz AUYGJCNICYPEBW-MXWKQRLJSA-N 1 1 183.295 1.632 10 0 ADAEMO CN[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] 259390412 573243581 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1.352 10 0 ADAEMO CC(=O)[C@H]1C[N@@H+](C)CC=C1C 238330675 573276064 /nfs/dbraw/zinc/27/60/64/573276064.db2.gz QMRKUFFZIMEYJB-VIFPVBQESA-N 1 1 153.225 1.083 10 0 ADAEMO [NH3+]CCc1c(F)c(O)cc(F)c1F 257991523 573276075 /nfs/dbraw/zinc/27/60/75/573276075.db2.gz FRXNSVYEVIRDFS-UHFFFAOYSA-N 1 1 191.152 1.311 10 0 ADAEMO C[C@]1(C[NH3+])CC[C@H]2CCCC[N@H+]21 258617438 573276097 /nfs/dbraw/zinc/27/60/97/573276097.db2.gz WMONMNJVCCMEKW-NXEZZACHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@]1(CN)CC[C@H]2CCCC[N@@H+]21 258617438 573276105 /nfs/dbraw/zinc/27/61/05/573276105.db2.gz WMONMNJVCCMEKW-NXEZZACHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@]1(CN)CC[C@H]2CCCC[N@H+]21 258617438 573276113 /nfs/dbraw/zinc/27/61/13/573276113.db2.gz WMONMNJVCCMEKW-NXEZZACHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC(C)c1cc([C@H](O)CCC[NH3+])n[nH]1 74239333 573276143 /nfs/dbraw/zinc/27/61/43/573276143.db2.gz KSJCRVOZMZSTTN-SNVBAGLBSA-N 1 1 197.282 1.305 10 0 ADAEMO CCCc1n[nH]c([C@H]2CCC[C@H]2[NH3+])n1 82919173 573276229 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INXGRUSIYHTHDI-HTQZYQBOSA-N 1 1 194.282 1.523 10 0 ADAEMO Cc1cnc([C@@H]2C[NH2+]CCC2=O)s1 74241444 573279151 /nfs/dbraw/zinc/27/91/51/573279151.db2.gz NZIVABPBCCVKLH-SSDOTTSWSA-N 1 1 196.275 1.098 10 0 ADAEMO CN1CCc2ccsc2[C@@H]1CC[NH3+] 74240950 573279256 /nfs/dbraw/zinc/27/92/56/573279256.db2.gz ORGJSDXKPLURHW-VIFPVBQESA-N 1 1 196.319 1.626 10 0 ADAEMO C[C@@]1(C[NH3+])CC[C@@H]2CCCC[N@H+]21 258617442 573279330 /nfs/dbraw/zinc/27/93/30/573279330.db2.gz WMONMNJVCCMEKW-UWVGGRQHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@@]1(CN)CC[C@@H]2CCCC[N@@H+]21 258617442 573279335 /nfs/dbraw/zinc/27/93/35/573279335.db2.gz WMONMNJVCCMEKW-UWVGGRQHSA-N 1 1 168.284 1.352 10 0 ADAEMO CCC[C@]1(CN2CC=CC2)CC[NH2+]C1 308537091 573279446 /nfs/dbraw/zinc/27/94/46/573279446.db2.gz GJCLLIKTMYUUBK-LBPRGKRZSA-N 1 1 194.322 1.638 10 0 ADAEMO C[NH2+][C@H]1CCCC[C@]12CCCN2C 238332110 573280786 /nfs/dbraw/zinc/28/07/86/573280786.db2.gz NTGIHCUGCBFXHP-QWRGUYRKSA-N 1 1 182.311 1.613 10 0 ADAEMO Cn1cnnc1C[NH2+][C@@H]1C=CCCC1 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192.306 1.858 10 0 ADAEMO CC[C@]1(C)CN[C@](C)(C2CC2)C[NH2+]1 82960908 573337624 /nfs/dbraw/zinc/33/76/24/573337624.db2.gz RSKINUXNGXDGMZ-MNOVXSKESA-N 1 1 182.311 1.517 10 0 ADAEMO CC(C)C[C@H]1C[NH2+][C@H](C2CC2)CN1 82960820 573337635 /nfs/dbraw/zinc/33/76/35/573337635.db2.gz FAOLKEAQISHUJB-QWRGUYRKSA-N 1 1 182.311 1.373 10 0 ADAEMO CCN[C@H](C[NH3+])c1ccc(OC)cc1 50270115 573337652 /nfs/dbraw/zinc/33/76/52/573337652.db2.gz UHBZADOPWVCQBS-LLVKDONJSA-N 1 1 194.278 1.305 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1 82960839 573338692 /nfs/dbraw/zinc/33/86/92/573338692.db2.gz CLXDZIHCBXBYJL-NEPJUHHUSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@@]1(C)CN[C@H](CC(C)C)C[NH2+]1 82960828 573338704 /nfs/dbraw/zinc/33/87/04/573338704.db2.gz SXDNBNUFJFAWPK-MNOVXSKESA-N 1 1 184.327 1.763 10 0 ADAEMO CC(C)Cc1cc([C@H](C)[NH3+])n[nH]1 258631344 573338712 /nfs/dbraw/zinc/33/87/12/573338712.db2.gz XVRJGZZVCKENEF-ZETCQYMHSA-N 1 1 167.256 1.628 10 0 ADAEMO CCC[C@H]1CN[C@@H](C(C)C)C[NH2+]1 82960597 573338724 /nfs/dbraw/zinc/33/87/24/573338724.db2.gz MRTOGDNQUUQFIE-VHSXEESVSA-N 1 1 170.300 1.373 10 0 ADAEMO CC1(C)CN[C@@H](C(C)(C)C)C[NH2+]1 82960723 573338742 /nfs/dbraw/zinc/33/87/42/573338742.db2.gz PFLGFYLOETYTCM-MRVPVSSYSA-N 1 1 170.300 1.373 10 0 ADAEMO CC[C@@]1(C)CNC2(CCCC2)C[NH2+]1 82960903 573338754 /nfs/dbraw/zinc/33/87/54/573338754.db2.gz WGWJMXGYHHUIFE-JTQLQIEISA-N 1 1 182.311 1.661 10 0 ADAEMO CC[C@]1(C)CNC2(CCCC2)C[NH2+]1 82960902 573338781 /nfs/dbraw/zinc/33/87/81/573338781.db2.gz WGWJMXGYHHUIFE-SNVBAGLBSA-N 1 1 182.311 1.661 10 0 ADAEMO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1 82960763 573338818 /nfs/dbraw/zinc/33/88/18/573338818.db2.gz DYFIMTQSVBEKAG-BDAKNGLRSA-N 1 1 156.273 1.127 10 0 ADAEMO C[NH2+][C@H](CNC1CC1)c1ccccc1 259423475 573338837 /nfs/dbraw/zinc/33/88/37/573338837.db2.gz NPYRTQUZMFVTPU-GFCCVEGCSA-N 1 1 190.290 1.699 10 0 ADAEMO CC(C)(C)[C@@H]1CN[C@H](C2CC2)C[NH2+]1 82960789 573338842 /nfs/dbraw/zinc/33/88/42/573338842.db2.gz OWDMDLDZXLRQQN-UWVGGRQHSA-N 1 1 182.311 1.373 10 0 ADAEMO CCOc1cccc([C@H](CN)[NH2+]C)c1 50270004 573338856 /nfs/dbraw/zinc/33/88/56/573338856.db2.gz CGRPDAHBRZHUIH-NSHDSACASA-N 1 1 194.278 1.305 10 0 ADAEMO CCC[C@@H]1C[NH2+]C2(CCCC2)CN1 82960668 573338864 /nfs/dbraw/zinc/33/88/64/573338864.db2.gz FMQMHKDDRCSINI-SNVBAGLBSA-N 1 1 182.311 1.661 10 0 ADAEMO CC[NH2+][C@@H](CN)c1ccc(C)o1 50270124 573338902 /nfs/dbraw/zinc/33/89/02/573338902.db2.gz VHCUNLMOQPPWDI-QMMMGPOBSA-N 1 1 168.240 1.197 10 0 ADAEMO CCO[C@@H]1C[C@H]1C[NH2+]CC(F)F 689946580 573338956 /nfs/dbraw/zinc/33/89/56/573338956.db2.gz FCZVBGNCUUAIOA-NKWVEPMBSA-N 1 1 179.210 1.266 10 0 ADAEMO CCN[C@H](C[NH3+])c1ccc(C)cc1 50270105 573338959 /nfs/dbraw/zinc/33/89/59/573338959.db2.gz RQGPENLUYJSSAF-LLVKDONJSA-N 1 1 178.279 1.604 10 0 ADAEMO CCC1(CC)C[NH2+][C@H](C2CC2)CN1 82960954 573338970 /nfs/dbraw/zinc/33/89/70/573338970.db2.gz XPONJEXDHDEKTL-JTQLQIEISA-N 1 1 182.311 1.517 10 0 ADAEMO C1CCC([C@@H]2CNCCC[NH2+]2)CC1 82960982 573338981 /nfs/dbraw/zinc/33/89/81/573338981.db2.gz GQNMZTZZDOUIMP-NSHDSACASA-N 1 1 182.311 1.518 10 0 ADAEMO C1CCC2(C1)CN[C@@H](C1CC1)C[NH2+]2 82960915 573338996 /nfs/dbraw/zinc/33/89/96/573338996.db2.gz AWECDHASITYGGB-SNVBAGLBSA-N 1 1 180.295 1.271 10 0 ADAEMO COc1ccc(C(F)(F)C[NH3+])cn1 238354132 573338997 /nfs/dbraw/zinc/33/89/97/573338997.db2.gz JQJYCMUGICHVID-UHFFFAOYSA-N 1 1 188.177 1.141 10 0 ADAEMO CC(C)[N@@H+](CCN)CC1(C)CCC1 308351566 573339074 /nfs/dbraw/zinc/33/90/74/573339074.db2.gz YPHZRMADDUFQOO-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)N(CC[NH3+])CC1(C)CCC1 308351566 573339084 /nfs/dbraw/zinc/33/90/84/573339084.db2.gz YPHZRMADDUFQOO-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1 82960814 573339121 /nfs/dbraw/zinc/33/91/21/573339121.db2.gz RCCRSNAQQKNUCN-PWSUYJOCSA-N 1 1 196.338 1.763 10 0 ADAEMO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N 259421889 573339130 /nfs/dbraw/zinc/33/91/30/573339130.db2.gz MTQYEZDNGREZFA-KCJUWKMLSA-N 1 1 194.278 1.303 10 0 ADAEMO CC[C@H](C)[C@H]1C[NH2+]C(C)(C)CN1 82960719 573339149 /nfs/dbraw/zinc/33/91/49/573339149.db2.gz OOZLRNIGSPMXDW-DTWKUNHWSA-N 1 1 170.300 1.373 10 0 ADAEMO C1CCC2(CC1)C[NH2+][C@@H](C1CC1)CN2 82960926 573339172 /nfs/dbraw/zinc/33/91/72/573339172.db2.gz LWNWZFNAUGYQAL-LLVKDONJSA-N 1 1 194.322 1.661 10 0 ADAEMO CC[C@@]1(C)C[NH2+][C@](C)(CC)CN1 82960897 573339223 /nfs/dbraw/zinc/33/92/23/573339223.db2.gz LIKXPJZFKLBWRP-AOOOYVTPSA-N 1 1 170.300 1.517 10 0 ADAEMO CC(C)[NH2+][C@H](CN)c1ccccc1F 50270912 573341477 /nfs/dbraw/zinc/34/14/77/573341477.db2.gz LAKIQRUIEFJKEF-LLVKDONJSA-N 1 1 196.269 1.824 10 0 ADAEMO NCC1([N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 236172883 573341505 /nfs/dbraw/zinc/34/15/05/573341505.db2.gz IJGHXGQBZXLLAY-QWRGUYRKSA-N 1 1 194.322 1.742 10 0 ADAEMO NCC1([N@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 236172883 573341509 /nfs/dbraw/zinc/34/15/09/573341509.db2.gz IJGHXGQBZXLLAY-QWRGUYRKSA-N 1 1 194.322 1.742 10 0 ADAEMO Cc1cccc([C@H](CN)[NH2+]C2CC2)c1 50271112 573341512 /nfs/dbraw/zinc/34/15/12/573341512.db2.gz SVGVZRZIGZBEDK-LBPRGKRZSA-N 1 1 190.290 1.747 10 0 ADAEMO CC[NH2+][C@H](CN)c1ccc(F)cc1 50270181 573341531 /nfs/dbraw/zinc/34/15/31/573341531.db2.gz ROMCLFFZEKPTIH-SNVBAGLBSA-N 1 1 182.242 1.435 10 0 ADAEMO C[N@@H+](CC1(C)CCC1)C(C)(C)CO 308351601 573341541 /nfs/dbraw/zinc/34/15/41/573341541.db2.gz YQZDARLNFPCPOG-UHFFFAOYSA-N 1 1 185.311 1.879 10 0 ADAEMO CC[N@@H+](C)C[C@H](O)C[C@H]1CCCC1=O 308554049 573341548 /nfs/dbraw/zinc/34/15/48/573341548.db2.gz YUONXPWBOINTBB-NXEZZACHSA-N 1 1 199.294 1.058 10 0 ADAEMO CC[N@@H+](C)C[C@@H](O)C[C@@H]1CCCC1=O 308554050 573341591 /nfs/dbraw/zinc/34/15/91/573341591.db2.gz YUONXPWBOINTBB-UWVGGRQHSA-N 1 1 199.294 1.058 10 0 ADAEMO COC(=O)[C@@H]([NH2+]C(C)C)C1CCCC1 50272616 573341613 /nfs/dbraw/zinc/34/16/13/573341613.db2.gz PQBNWDLRPDABRU-JTQLQIEISA-N 1 1 199.294 1.716 10 0 ADAEMO CCCN[C@@H](C[NH3+])c1cccs1 50270504 573341678 /nfs/dbraw/zinc/34/16/78/573341678.db2.gz KLZHSUVXWKLPCM-QMMMGPOBSA-N 1 1 184.308 1.748 10 0 ADAEMO CC(C)=CC[NH2+]Cc1nnc(C)s1 308352933 573341701 /nfs/dbraw/zinc/34/17/01/573341701.db2.gz ZKVXQMTWPDMGRY-UHFFFAOYSA-N 1 1 197.307 1.902 10 0 ADAEMO CCOC(=O)C[NH2+]C[C@@H](C)C1CC1 132817498 573341777 /nfs/dbraw/zinc/34/17/77/573341777.db2.gz UJCFLKDHDXDTJZ-MRVPVSSYSA-N 1 1 185.267 1.185 10 0 ADAEMO CCCCCc1nnc([C@@H](C)[NH3+])o1 50284236 573341908 /nfs/dbraw/zinc/34/19/08/573341908.db2.gz MHAHYLRHYJLTIW-SSDOTTSWSA-N 1 1 183.255 1.822 10 0 ADAEMO FCC[NH2+]Cc1cn2ccccc2n1 308555469 573341920 /nfs/dbraw/zinc/34/19/20/573341920.db2.gz RYNGKHKODHVRFR-UHFFFAOYSA-N 1 1 193.225 1.393 10 0 ADAEMO COC(=O)[C@H]([NH2+]C(C)C)C1CCCC1 50272617 573341953 /nfs/dbraw/zinc/34/19/53/573341953.db2.gz PQBNWDLRPDABRU-SNVBAGLBSA-N 1 1 199.294 1.716 10 0 ADAEMO COCC(=O)C[N@H+]1CC2CCC1CC2 393662680 573341993 /nfs/dbraw/zinc/34/19/93/573341993.db2.gz ATLDMJKOWZBDKO-UHFFFAOYSA-N 1 1 197.278 1.076 10 0 ADAEMO C[N@H+]1CCc2cccc(F)c2C1 74449926 573343372 /nfs/dbraw/zinc/34/33/72/573343372.db2.gz LSCBWRJNDMSJAZ-UHFFFAOYSA-N 1 1 165.211 1.814 10 0 ADAEMO CC[N@@H+](Cc1cnc(N)nc1)C(C)C 308554020 573343392 /nfs/dbraw/zinc/34/33/92/573343392.db2.gz YRHKILOHNPZTBH-UHFFFAOYSA-N 1 1 194.282 1.289 10 0 ADAEMO CCC(CC)c1nnc([C@@H](C)[NH3+])o1 50284242 573343394 /nfs/dbraw/zinc/34/33/94/573343394.db2.gz XPYCAKFCVYNVLY-ZCFIWIBFSA-N 1 1 183.255 1.993 10 0 ADAEMO Cc1ccccc1[C@H](CN)[NH2+]C1CC1 50271108 573343461 /nfs/dbraw/zinc/34/34/61/573343461.db2.gz WYHBZSUHJZGYNN-LBPRGKRZSA-N 1 1 190.290 1.747 10 0 ADAEMO CC[NH2+][C@H](C(=O)OC)C1CCCC1 50272620 573343476 /nfs/dbraw/zinc/34/34/76/573343476.db2.gz XMKGCGCGQZDZFF-VIFPVBQESA-N 1 1 185.267 1.328 10 0 ADAEMO CC[N@@H+](C)C[C@@H](O)C[C@H]1CCCC1=O 308554052 573343480 /nfs/dbraw/zinc/34/34/80/573343480.db2.gz YUONXPWBOINTBB-ZJUUUORDSA-N 1 1 199.294 1.058 10 0 ADAEMO CC[NH2+][C@H](CN)c1ccccc1F 50270241 573343545 /nfs/dbraw/zinc/34/35/45/573343545.db2.gz IVIQQHMKJITQDF-SNVBAGLBSA-N 1 1 182.242 1.435 10 0 ADAEMO C[C@H]1C[C@@H]1c1nnc([C@@H](C)[NH3+])o1 50284239 573343581 /nfs/dbraw/zinc/34/35/81/573343581.db2.gz INFMBJAQCISFLP-JKUQZMGJSA-N 1 1 167.212 1.213 10 0 ADAEMO CC[NH2+][C@H](C(=O)OCC)C1CCCC1 50272622 573343622 /nfs/dbraw/zinc/34/36/22/573343622.db2.gz NQXHYVCHUYDHNY-JTQLQIEISA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+][C@@H](C(=O)OCC)C1CCCC1 50272623 573343634 /nfs/dbraw/zinc/34/36/34/573343634.db2.gz NQXHYVCHUYDHNY-SNVBAGLBSA-N 1 1 199.294 1.718 10 0 ADAEMO CC(C)[NH2+][C@@H](CN)c1ccco1 50270846 573343683 /nfs/dbraw/zinc/34/36/83/573343683.db2.gz MRDRKWKUJNPPTC-QMMMGPOBSA-N 1 1 168.240 1.277 10 0 ADAEMO CC(C)N[C@H](C[NH3+])c1ccc(F)cc1 50270851 573344528 /nfs/dbraw/zinc/34/45/28/573344528.db2.gz QRLSXOYRDCCIIJ-LLVKDONJSA-N 1 1 196.269 1.824 10 0 ADAEMO CC(C)[C@@]1(CCN(C)C)CCC[NH2+]1 258307820 573344584 /nfs/dbraw/zinc/34/45/84/573344584.db2.gz VEJDXANURVBZFT-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO NC[C@@H]([NH2+]C1CC1)c1ccccc1 50271251 573344621 /nfs/dbraw/zinc/34/46/21/573344621.db2.gz RYDONUAMJLQGAC-LLVKDONJSA-N 1 1 176.263 1.438 10 0 ADAEMO Cc1cccc([C@@H](C[NH3+])NC(C)C)c1 50270776 573344639 /nfs/dbraw/zinc/34/46/39/573344639.db2.gz LDHXMBQWRBYYNG-GFCCVEGCSA-N 1 1 192.306 1.993 10 0 ADAEMO C[N@H+](C1CC1)[C@@H](CN)C1CCCC1 50272128 573344684 /nfs/dbraw/zinc/34/46/84/573344684.db2.gz LZMKXNOWXZHCNH-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO CN(C1CC1)[C@@H](C[NH3+])C1CCCC1 50272128 573344689 /nfs/dbraw/zinc/34/46/89/573344689.db2.gz LZMKXNOWXZHCNH-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO Cc1ccc([C@@H](CN)[NH2+]C2CC2)s1 50271307 573344765 /nfs/dbraw/zinc/34/47/65/573344765.db2.gz OJODYDDZBNPXJU-SECBINFHSA-N 1 1 196.319 1.808 10 0 ADAEMO N[C@H]1CCC[C@H]1[NH2+]C1CCC1 259091886 573344864 /nfs/dbraw/zinc/34/48/64/573344864.db2.gz RUKOVPUWZJPCQE-DTWKUNHWSA-N 1 1 154.257 1.008 10 0 ADAEMO CC[C@@]1([C@H]2CCCN2C)CCC[NH2+]1 258288127 573344895 /nfs/dbraw/zinc/34/48/95/573344895.db2.gz SYPCAGJOHSOFPJ-MNOVXSKESA-N 1 1 182.311 1.613 10 0 ADAEMO CCN[C@@H](C[NH3+])c1cccc(C)c1C 50270361 573344898 /nfs/dbraw/zinc/34/48/98/573344898.db2.gz KSZNIUSPWABMGU-LBPRGKRZSA-N 1 1 192.306 1.913 10 0 ADAEMO Cc1ccsc1[C@H](C[NH3+])NC1CC1 50271158 573345011 /nfs/dbraw/zinc/34/50/11/573345011.db2.gz IZXIEGYXFGFQPG-VIFPVBQESA-N 1 1 196.319 1.808 10 0 ADAEMO Cc1coc([C@@H](O)[C@H]2CC[N@H+](C)C2)c1 715777355 573345882 /nfs/dbraw/zinc/34/58/82/573345882.db2.gz HIZVOPPDBZWILN-ONGXEEELSA-N 1 1 195.262 1.573 10 0 ADAEMO CCN[C@@H](C[NH3+])c1ccc(C)cc1C 50270142 573345918 /nfs/dbraw/zinc/34/59/18/573345918.db2.gz RRKQZUZCRPTYCE-LBPRGKRZSA-N 1 1 192.306 1.913 10 0 ADAEMO C[C@H]1[NH2+]CC[C@H]1c1nc(C2CC2)n[nH]1 86270281 573345940 /nfs/dbraw/zinc/34/59/40/573345940.db2.gz REVIYKUJPWWFPU-HTRCEHHLSA-N 1 1 192.266 1.148 10 0 ADAEMO CCCN[C@@H](C[NH3+])c1ccc(F)cc1 50270514 573345984 /nfs/dbraw/zinc/34/59/84/573345984.db2.gz ZXMSPUVJSHXGST-NSHDSACASA-N 1 1 196.269 1.825 10 0 ADAEMO CCC[NH2+][C@@H](CN)c1ccc(C)o1 50270458 573345995 /nfs/dbraw/zinc/34/59/95/573345995.db2.gz SRYUPFRFOYXBOA-VIFPVBQESA-N 1 1 182.267 1.587 10 0 ADAEMO CCOC(=O)C[NH2+]C[C@H](C)C1CC1 132817692 573346016 /nfs/dbraw/zinc/34/60/16/573346016.db2.gz UJCFLKDHDXDTJZ-QMMMGPOBSA-N 1 1 185.267 1.185 10 0 ADAEMO CC(C)C(=O)C[N@H+]1CCCO[C@@H](C)C1 86276652 573346097 /nfs/dbraw/zinc/34/60/97/573346097.db2.gz SMWDRCCEBQAHQF-JTQLQIEISA-N 1 1 199.294 1.322 10 0 ADAEMO CC(C)[NH2+][C@@H](CN)c1cccnc1 50270890 573346127 /nfs/dbraw/zinc/34/61/27/573346127.db2.gz UHKMPWXHPCOTRH-JTQLQIEISA-N 1 1 179.267 1.079 10 0 ADAEMO CC[C@@H](C)[N@@H+](CCO)CC(=O)C1CC1 308557404 573346143 /nfs/dbraw/zinc/34/61/43/573346143.db2.gz UWDIOBXEHPTNRP-SECBINFHSA-N 1 1 199.294 1.058 10 0 ADAEMO C[N@@H+](CC1CC1)[C@@H](CN)C1CCCC1 50272228 573346161 /nfs/dbraw/zinc/34/61/61/573346161.db2.gz MCJCPSCOAZCTHX-LBPRGKRZSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)C(=O)C[NH+]1CCSCC1 86276494 573346190 /nfs/dbraw/zinc/34/61/90/573346190.db2.gz UWUPFAKTTMJEEI-UHFFFAOYSA-N 1 1 187.308 1.260 10 0 ADAEMO CCC[C@H]1CNCC[N@H+]1C(C)(C)C 107091987 573346320 /nfs/dbraw/zinc/34/63/20/573346320.db2.gz SDMISJMZMSJSLX-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO NC[C@H]([NH2+]C1CC1)c1cccc(F)c1 50271134 573346329 /nfs/dbraw/zinc/34/63/29/573346329.db2.gz UWLQVFAQRFSGTR-NSHDSACASA-N 1 1 194.253 1.578 10 0 ADAEMO CCN[C@H](C[NH3+])c1ccc(Cl)cc1 50270157 573346351 /nfs/dbraw/zinc/34/63/51/573346351.db2.gz LVSQBTUCSHPCSU-SNVBAGLBSA-N 1 1 198.697 1.949 10 0 ADAEMO CCCCCc1nnc([C@H](C)[NH3+])o1 50284237 573346370 /nfs/dbraw/zinc/34/63/70/573346370.db2.gz MHAHYLRHYJLTIW-ZETCQYMHSA-N 1 1 183.255 1.822 10 0 ADAEMO C[N@@H+](CC(C)(C)O)[C@H]1CCCCC1=O 86274271 573346387 /nfs/dbraw/zinc/34/63/87/573346387.db2.gz ASALJQJNQITWOU-VIFPVBQESA-N 1 1 199.294 1.201 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1c1nc(C2CC2)n[nH]1 86270282 573346911 /nfs/dbraw/zinc/34/69/11/573346911.db2.gz REVIYKUJPWWFPU-POYBYMJQSA-N 1 1 192.266 1.148 10 0 ADAEMO CCCN[C@@H](C[NH3+])c1ccccc1C 50270436 573347001 /nfs/dbraw/zinc/34/70/01/573347001.db2.gz KCAOEPPZIXTUBJ-LBPRGKRZSA-N 1 1 192.306 1.994 10 0 ADAEMO CCN[C@H](C[NH3+])c1cccc(C)c1C 50270362 573347083 /nfs/dbraw/zinc/34/70/83/573347083.db2.gz KSZNIUSPWABMGU-GFCCVEGCSA-N 1 1 192.306 1.913 10 0 ADAEMO C[NH2+][C@H](c1cccc(C)c1)N(C)C 259423935 573347098 /nfs/dbraw/zinc/34/70/98/573347098.db2.gz IDDXZDKFGDZMOM-NSHDSACASA-N 1 1 178.279 1.775 10 0 ADAEMO Cc1oc(CO)nc1[C@@H]1CCC[N@H+]1C 258009106 573350802 /nfs/dbraw/zinc/35/08/02/573350802.db2.gz HADFPWOJXKTXOE-QMMMGPOBSA-N 1 1 196.250 1.242 10 0 ADAEMO Cc1oc(CO)nc1[C@@H]1CCC[N@@H+]1C 258009106 573350806 /nfs/dbraw/zinc/35/08/06/573350806.db2.gz HADFPWOJXKTXOE-QMMMGPOBSA-N 1 1 196.250 1.242 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@@H]1c1nc(C2CC2)n[nH]1 86270284 573350815 /nfs/dbraw/zinc/35/08/15/573350815.db2.gz REVIYKUJPWWFPU-XPUUQOCRSA-N 1 1 192.266 1.148 10 0 ADAEMO CCC(C)(C)[C@H](O)Cn1cc[nH+]c1C 308559442 573350835 /nfs/dbraw/zinc/35/08/35/573350835.db2.gz WJNHDQWCIJZAIQ-SNVBAGLBSA-N 1 1 196.294 1.989 10 0 ADAEMO C[NH2+][C@@H](CF)c1ccco1 107116030 573351890 /nfs/dbraw/zinc/35/18/90/573351890.db2.gz VGIUFSYSXGIBON-LURJTMIESA-N 1 1 143.161 1.510 10 0 ADAEMO CCCO[C@@H]1CCC[N@@H+](CCF)C1 308361614 573351963 /nfs/dbraw/zinc/35/19/63/573351963.db2.gz MIIGUVDUHNGIQU-SNVBAGLBSA-N 1 1 189.274 1.847 10 0 ADAEMO [NH3+][C@H](CF)c1cncs1 107116766 573351996 /nfs/dbraw/zinc/35/19/96/573351996.db2.gz MPQYTHUEQAYIFO-SCSAIBSYSA-N 1 1 146.190 1.112 10 0 ADAEMO Cc1oc(CO)nc1[C@H]1CCC[N@H+]1C 258009101 573352008 /nfs/dbraw/zinc/35/20/08/573352008.db2.gz HADFPWOJXKTXOE-MRVPVSSYSA-N 1 1 196.250 1.242 10 0 ADAEMO Cc1oc(CO)nc1[C@H]1CCC[N@@H+]1C 258009101 573352013 /nfs/dbraw/zinc/35/20/13/573352013.db2.gz HADFPWOJXKTXOE-MRVPVSSYSA-N 1 1 196.250 1.242 10 0 ADAEMO CCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86302959 573352178 /nfs/dbraw/zinc/35/21/78/573352178.db2.gz VRCIKRSZLIFJRZ-VWYCJHECSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1C(=O)CC[N@@H+](CC2CC2)[C@@H]1C 86302837 573353262 /nfs/dbraw/zinc/35/32/62/573353262.db2.gz QANDDBMLZRSYAX-DTWKUNHWSA-N 1 1 181.279 1.696 10 0 ADAEMO COCCC[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 86303462 573353372 /nfs/dbraw/zinc/35/33/72/573353372.db2.gz PJFFGOMBLOONLJ-UWVGGRQHSA-N 1 1 199.294 1.322 10 0 ADAEMO CCC[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 86303275 573353388 /nfs/dbraw/zinc/35/33/88/573353388.db2.gz OQEFQSLIVIXSLQ-IUCAKERBSA-N 1 1 169.268 1.696 10 0 ADAEMO CCO[C@@H](C)c1nc([C@H](C)[NH2+]C)c[nH]1 308558822 573353533 /nfs/dbraw/zinc/35/35/33/573353533.db2.gz UUFOKBPZXOHUCH-YUMQZZPRSA-N 1 1 197.282 1.788 10 0 ADAEMO Cc1[nH+]c2cccc(O)c2n1C 107120095 573353568 /nfs/dbraw/zinc/35/35/68/573353568.db2.gz MZDQXTRWEALIJH-UHFFFAOYSA-N 1 1 162.192 1.587 10 0 ADAEMO COc1c(C)ccn2c(N)c[nH+]c12 238366742 573353618 /nfs/dbraw/zinc/35/36/18/573353618.db2.gz ILBIMAAXAJEHDF-UHFFFAOYSA-N 1 1 177.207 1.234 10 0 ADAEMO C[C@@H](CCO)[N@@H+](C)C(C)(C)C 238367998 573353670 /nfs/dbraw/zinc/35/36/70/573353670.db2.gz WYWCJFUVXZRAKU-QMMMGPOBSA-N 1 1 159.273 1.488 10 0 ADAEMO CCCO[C@H]1CCC[N@@H+](CCF)C1 308361612 573353678 /nfs/dbraw/zinc/35/36/78/573353678.db2.gz MIIGUVDUHNGIQU-JTQLQIEISA-N 1 1 189.274 1.847 10 0 ADAEMO C=Cc1cc[nH+]c(NC)c1 209788048 573353726 /nfs/dbraw/zinc/35/37/26/573353726.db2.gz TURHHQZVSMLOOS-UHFFFAOYSA-N 1 1 134.182 1.766 10 0 ADAEMO C[C@H](Nc1nnc(C[NH3+])o1)C(C)(C)C 235570887 573353797 /nfs/dbraw/zinc/35/37/97/573353797.db2.gz RAOJKVKYHNAWEM-LURJTMIESA-N 1 1 198.270 1.375 10 0 ADAEMO CC[C@@]1(C)CNCC(C)(C)[NH2+]1 258635579 573353842 /nfs/dbraw/zinc/35/38/42/573353842.db2.gz YGXDOUONGPSUCX-VIFPVBQESA-N 1 1 156.273 1.127 10 0 ADAEMO CC[C@]1(C)CNCC(C)(C)[NH2+]1 258635567 573354139 /nfs/dbraw/zinc/35/41/39/573354139.db2.gz YGXDOUONGPSUCX-SECBINFHSA-N 1 1 156.273 1.127 10 0 ADAEMO Cc1[nH]cc(CCNC(=O)C(C)C)[nH+]1 74579667 573356947 /nfs/dbraw/zinc/35/69/47/573356947.db2.gz BCVHGSHYPALQFQ-UHFFFAOYSA-N 1 1 195.266 1.033 10 0 ADAEMO Cc1[nH]c(CCNC(=O)C(C)C)c[nH+]1 74579667 573356952 /nfs/dbraw/zinc/35/69/52/573356952.db2.gz BCVHGSHYPALQFQ-UHFFFAOYSA-N 1 1 195.266 1.033 10 0 ADAEMO CC(C)[N@H+](C1CC1)[C@@H](C)CN 107118409 573356993 /nfs/dbraw/zinc/35/69/93/573356993.db2.gz ISZWKPPIEGIREB-QMMMGPOBSA-N 1 1 156.273 1.206 10 0 ADAEMO Cc1cn(CCCCCO)c(C)[nH+]1 308363711 573356995 /nfs/dbraw/zinc/35/69/95/573356995.db2.gz GCEHNOPJTFOTCB-UHFFFAOYSA-N 1 1 182.267 1.663 10 0 ADAEMO COCC(C)(C)[N@@H+](C)[C@H]1CCCC1=O 308561394 573357006 /nfs/dbraw/zinc/35/70/06/573357006.db2.gz FMYOMLVQLNTWFV-VIFPVBQESA-N 1 1 199.294 1.465 10 0 ADAEMO CC(C)N(C1CC1)[C@@H](C)C[NH3+] 107118409 573357008 /nfs/dbraw/zinc/35/70/08/573357008.db2.gz ISZWKPPIEGIREB-QMMMGPOBSA-N 1 1 156.273 1.206 10 0 ADAEMO CC(C)C[N@H+]1CCC(=O)[C@H](C)[C@H]1C 86303207 573357032 /nfs/dbraw/zinc/35/70/32/573357032.db2.gz JDLZJDYHZKHOGG-NXEZZACHSA-N 1 1 183.295 1.942 10 0 ADAEMO CC(C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 86302939 573357088 /nfs/dbraw/zinc/35/70/88/573357088.db2.gz GQUINWVHTBVPRL-GUBZILKMSA-N 1 1 170.300 1.452 10 0 ADAEMO CC[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86303170 573357117 /nfs/dbraw/zinc/35/71/17/573357117.db2.gz PMLJEEMQRMRBCO-VGMNWLOBSA-N 1 1 156.273 1.064 10 0 ADAEMO CNC(C)(C)C[NH2+][C@@H](C)CC(F)F 308363732 573358755 /nfs/dbraw/zinc/35/87/55/573358755.db2.gz GGAKWJHECOYIDO-ZETCQYMHSA-N 1 1 194.269 1.618 10 0 ADAEMO C[N@H+]1CCC[C@@H]2CCCC(=O)[C@@H]21 107121375 573358906 /nfs/dbraw/zinc/35/89/06/573358906.db2.gz DHPNWUKIHKNIPS-WCBMZHEXSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@@H]1C[C@@]1(C)[C@H](CN)[N@@H+](C)C1CCC1 714680536 573359003 /nfs/dbraw/zinc/35/90/03/573359003.db2.gz RULSFIPZECYFFL-ADEWGFFLSA-N 1 1 196.338 1.844 10 0 ADAEMO Cc1ncc(CC[NH3+])n1C(C)C 107121438 573359004 /nfs/dbraw/zinc/35/90/04/573359004.db2.gz YLKKIDFAVCZPLN-UHFFFAOYSA-N 1 1 167.256 1.274 10 0 ADAEMO C[C@@H]1C[C@@]1(C)[C@H](C[NH3+])N(C)C1CCC1 714680536 573359008 /nfs/dbraw/zinc/35/90/08/573359008.db2.gz RULSFIPZECYFFL-ADEWGFFLSA-N 1 1 196.338 1.844 10 0 ADAEMO CCC1(O)C[C@@H]2CC[C@H](C1)[N@H+]2C 107122371 573359104 /nfs/dbraw/zinc/35/91/04/573359104.db2.gz UIADFMJMGHUPDB-ULKQDVFKSA-N 1 1 169.268 1.384 10 0 ADAEMO O=C1CC[NH2+]C[C@H]1c1ccccc1O 258294874 573359209 /nfs/dbraw/zinc/35/92/09/573359209.db2.gz VYYXYEKHHXOLLW-VIFPVBQESA-N 1 1 191.230 1.038 10 0 ADAEMO C[NH2+][C@H](CNC(C)C)C1CCC1 259425802 573359248 /nfs/dbraw/zinc/35/92/48/573359248.db2.gz NTQMZQXNHQVXJH-SNVBAGLBSA-N 1 1 170.300 1.373 10 0 ADAEMO CN[C@H](C[NH2+]C(C)C)C1CCC1 259425802 573359254 /nfs/dbraw/zinc/35/92/54/573359254.db2.gz NTQMZQXNHQVXJH-SNVBAGLBSA-N 1 1 170.300 1.373 10 0 ADAEMO CC(C)[N@@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86311263 573359562 /nfs/dbraw/zinc/35/95/62/573359562.db2.gz IRKMLDNPDUGBJS-DTWKUNHWSA-N 1 1 158.289 1.310 10 0 ADAEMO CNC(C)(C)C[NH2+][C@H](C)CC(F)F 308363731 573359587 /nfs/dbraw/zinc/35/95/87/573359587.db2.gz GGAKWJHECOYIDO-SSDOTTSWSA-N 1 1 194.269 1.618 10 0 ADAEMO C[C@@H](C[NH3+])[C@@H](C)[N@H+]1CCCC1(C)C 86312518 573359625 /nfs/dbraw/zinc/35/96/25/573359625.db2.gz QGVSSLUVEFGWIY-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO C[N@H+]1CCC[C@H]2CCCC(=O)[C@@H]21 107121372 573359675 /nfs/dbraw/zinc/35/96/75/573359675.db2.gz DHPNWUKIHKNIPS-PSASIEDQSA-N 1 1 167.252 1.450 10 0 ADAEMO OC1CCC([N@@H+]2C[C@H]3C[C@H]3C2)CC1 107128552 573363940 /nfs/dbraw/zinc/36/39/40/573363940.db2.gz PSOKKKYPNPLXKW-IXBNRNDTSA-N 1 1 181.279 1.242 10 0 ADAEMO Nc1cc[nH+]c(NCC2CC=CC2)n1 717374869 573364015 /nfs/dbraw/zinc/36/40/15/573364015.db2.gz DPHPQOAFUMMBGD-UHFFFAOYSA-N 1 1 190.250 1.437 10 0 ADAEMO CCOc1cnc([C@H]2CC[N@@H+](C)C2)o1 259428009 573364050 /nfs/dbraw/zinc/36/40/50/573364050.db2.gz UKCSDNPXSDPLPW-QMMMGPOBSA-N 1 1 196.250 1.492 10 0 ADAEMO CC[N@H+]1CCC[C@H](/C=C\CO)C1 258312310 573364136 /nfs/dbraw/zinc/36/41/36/573364136.db2.gz VMXDQESMEJTAGS-AYYIZTPMSA-N 1 1 169.268 1.267 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@H]2NC(C)(C)CO2)C1 258314695 573364146 /nfs/dbraw/zinc/36/41/46/573364146.db2.gz DAOPXVNTHRFPNV-UWVGGRQHSA-N 1 1 198.310 1.053 10 0 ADAEMO CCC[C@H]([NH2+][C@@H](C)C(=O)OC)C1CC1 308562582 573364334 /nfs/dbraw/zinc/36/43/34/573364334.db2.gz WWFHFOIRAKGHCB-WPRPVWTQSA-N 1 1 199.294 1.716 10 0 ADAEMO CC[N@H+]1CCS[C@@H]1C 39077922 573364397 /nfs/dbraw/zinc/36/43/97/573364397.db2.gz ZNOREPRETSSXDV-ZCFIWIBFSA-N 1 1 131.244 1.401 10 0 ADAEMO COC[C@@H]([NH3+])c1noc(C(C)(C)C)n1 129766482 573365671 /nfs/dbraw/zinc/36/56/71/573365671.db2.gz CPLGGTJGWPEZOL-ZCFIWIBFSA-N 1 1 199.254 1.013 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@@H]2NC(C)(C)CO2)C1 258314697 573365786 /nfs/dbraw/zinc/36/57/86/573365786.db2.gz DAOPXVNTHRFPNV-VHSXEESVSA-N 1 1 198.310 1.053 10 0 ADAEMO Cc1ccccc1[C@@]1(C[NH3+])CCN1 258318391 573365837 /nfs/dbraw/zinc/36/58/37/573365837.db2.gz UDPGDPMUQWRODS-NSHDSACASA-N 1 1 176.263 1.142 10 0 ADAEMO CN[C@@H](c1ccc(C)o1)[C@@H](C)C[NH3+] 259427482 573365924 /nfs/dbraw/zinc/36/59/24/573365924.db2.gz MZALPUJVLKYJPK-OIBJUYFYSA-N 1 1 182.267 1.443 10 0 ADAEMO CCC[C@@H](NC)[C@H]1CCC[NH2+]1 259429855 573373215 /nfs/dbraw/zinc/37/32/15/573373215.db2.gz NXRTXONCAWYMKR-RKDXNWHRSA-N 1 1 156.273 1.127 10 0 ADAEMO CN[C@@H](CC[NH2+]C)c1cccs1 259431101 573373319 /nfs/dbraw/zinc/37/33/19/573373319.db2.gz NDHAABJXWMNQHN-QMMMGPOBSA-N 1 1 184.308 1.618 10 0 ADAEMO CCONC[C@@H]1CCCC[N@H+]1C 133078164 573373364 /nfs/dbraw/zinc/37/33/64/573373364.db2.gz AJGOKAPORNVTJK-VIFPVBQESA-N 1 1 172.272 1.012 10 0 ADAEMO [NH3+][C@@H]1CCN[C@@H](c2cccc(F)c2)C1 107137485 573373390 /nfs/dbraw/zinc/37/33/90/573373390.db2.gz PMJYRVYZSZQTES-GHMZBOCLSA-N 1 1 194.253 1.578 10 0 ADAEMO Cc1ccsc1[C@H]1C[C@@H]([NH3+])CCN1 107139685 573373399 /nfs/dbraw/zinc/37/33/99/573373399.db2.gz UXKUQZBSVAEHEH-DTWKUNHWSA-N 1 1 196.319 1.808 10 0 ADAEMO [NH3+][C@H]1CCN[C@H](c2cccc(F)c2)C1 107137489 573373513 /nfs/dbraw/zinc/37/35/13/573373513.db2.gz PMJYRVYZSZQTES-QWRGUYRKSA-N 1 1 194.253 1.578 10 0 ADAEMO [NH3+][C@H]1CCN[C@@H](c2cccc(F)c2)C1 107137492 573374142 /nfs/dbraw/zinc/37/41/42/573374142.db2.gz PMJYRVYZSZQTES-WDEREUQCSA-N 1 1 194.253 1.578 10 0 ADAEMO [NH3+][C@@H]1CCN[C@@H](c2ccc(F)cc2)C1 107137497 573374193 /nfs/dbraw/zinc/37/41/93/573374193.db2.gz CNJTVGZVLXILPK-GHMZBOCLSA-N 1 1 194.253 1.578 10 0 ADAEMO [NH3+][C@H]1CCN[C@H](c2ccc(F)cc2)C1 107137501 573374225 /nfs/dbraw/zinc/37/42/25/573374225.db2.gz CNJTVGZVLXILPK-QWRGUYRKSA-N 1 1 194.253 1.578 10 0 ADAEMO Cc1ccc([C@H]2C[C@H]([NH3+])CCN2)s1 107139668 573374261 /nfs/dbraw/zinc/37/42/61/573374261.db2.gz JODDHKGZPGZAMR-RKDXNWHRSA-N 1 1 196.319 1.808 10 0 ADAEMO Cc1ccsc1[C@H]1C[C@H]([NH3+])CCN1 107139680 573374278 /nfs/dbraw/zinc/37/42/78/573374278.db2.gz UXKUQZBSVAEHEH-RKDXNWHRSA-N 1 1 196.319 1.808 10 0 ADAEMO CCONC[C@H]1CCCC[N@H+]1C 133078379 573374435 /nfs/dbraw/zinc/37/44/35/573374435.db2.gz AJGOKAPORNVTJK-SECBINFHSA-N 1 1 172.272 1.012 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CC[C@H](N)C2)[C@@H]1C 83044887 573374438 /nfs/dbraw/zinc/37/44/38/573374438.db2.gz UYDSHPPHUXMXEL-ZNSHCXBVSA-N 1 1 182.311 1.454 10 0 ADAEMO CCC[C@H](NC)[C@H]1CCC[NH2+]1 259429850 573374498 /nfs/dbraw/zinc/37/44/98/573374498.db2.gz NXRTXONCAWYMKR-DTWKUNHWSA-N 1 1 156.273 1.127 10 0 ADAEMO Cc1ccsc1[C@@H]1C[C@H]([NH3+])CCN1 107139678 573374542 /nfs/dbraw/zinc/37/45/42/573374542.db2.gz UXKUQZBSVAEHEH-BDAKNGLRSA-N 1 1 196.319 1.808 10 0 ADAEMO C[N@H+]1C[C@H](CCO)CCC1(C)C 259430824 573374810 /nfs/dbraw/zinc/37/48/10/573374810.db2.gz OALWQYQFTWQKBM-VIFPVBQESA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)[C@@H]1C 83044810 573374905 /nfs/dbraw/zinc/37/49/05/573374905.db2.gz GTTNCUVCCFJFIL-FXPVBKGRSA-N 1 1 181.279 1.696 10 0 ADAEMO C[C@@H]1CC[C@@H]([N@H+]2CCC(=O)C2)[C@@H]1C 83044810 573374911 /nfs/dbraw/zinc/37/49/11/573374911.db2.gz GTTNCUVCCFJFIL-FXPVBKGRSA-N 1 1 181.279 1.696 10 0 ADAEMO C[C@@H](CNC[C@@H]1CCC[NH2+]1)C1CC1 133196382 573382901 /nfs/dbraw/zinc/38/29/01/573382901.db2.gz AIDDUVUAAWBWMS-ONGXEEELSA-N 1 1 182.311 1.374 10 0 ADAEMO CC[C@H]1C[N@H+]([C@@H](C)C(C)C)CCN1 83060239 573382932 /nfs/dbraw/zinc/38/29/32/573382932.db2.gz XZBCGUJEGGJFEI-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CCCCOC(=O)[C@@H](C)[NH2+]CC1CC1 308566667 573382935 /nfs/dbraw/zinc/38/29/35/573382935.db2.gz AWASPJAYLFFRQW-SECBINFHSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[C@H]1CN([C@@H](C)C(C)C)CC[NH2+]1 83060239 573382936 /nfs/dbraw/zinc/38/29/36/573382936.db2.gz XZBCGUJEGGJFEI-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C1CC1 83085137 573385411 /nfs/dbraw/zinc/38/54/11/573385411.db2.gz OMZDZWQMBUJJLP-PWSUYJOCSA-N 1 1 196.338 1.857 10 0 ADAEMO COC(=O)[C@@H]1[C@H]2CCCC[C@@H]2C[N@H+]1C 238374368 573385415 /nfs/dbraw/zinc/38/54/15/573385415.db2.gz JFUCGTXHPDVOPT-UTLUCORTSA-N 1 1 197.278 1.280 10 0 ADAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1C1CC1 83085137 573385420 /nfs/dbraw/zinc/38/54/20/573385420.db2.gz OMZDZWQMBUJJLP-PWSUYJOCSA-N 1 1 196.338 1.857 10 0 ADAEMO Cc1ncn2ccc(C[NH3+])cc12 107159620 573385438 /nfs/dbraw/zinc/38/54/38/573385438.db2.gz SCKIZEXIERKFFC-UHFFFAOYSA-N 1 1 161.208 1.101 10 0 ADAEMO C[C@H]1C[C@H]1[N@H+]1CCNC(C)(C)C1 83084187 573385459 /nfs/dbraw/zinc/38/54/59/573385459.db2.gz 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ADAEMO CC(C)[C@@H](N)C[NH2+][C@@H](C)CC(F)F 308380396 573405100 /nfs/dbraw/zinc/40/51/00/573405100.db2.gz QBCHRDDIUTXGAX-YUMQZZPRSA-N 1 1 194.269 1.603 10 0 ADAEMO CC(C)[C@@H]([NH3+])CN[C@@H](C)CC(F)F 308380396 573405104 /nfs/dbraw/zinc/40/51/04/573405104.db2.gz QBCHRDDIUTXGAX-YUMQZZPRSA-N 1 1 194.269 1.603 10 0 ADAEMO CC(C)[N@H+]1CCC(C)(C)[C@H](N)C1 259096934 573405154 /nfs/dbraw/zinc/40/51/54/573405154.db2.gz AARMWVUUMLORQF-SECBINFHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[NH2+]C(C)(C)[C@H](N)CC(C)C 259096158 573405258 /nfs/dbraw/zinc/40/52/58/573405258.db2.gz AQTGISHYADJWSK-MRVPVSSYSA-N 1 1 158.289 1.358 10 0 ADAEMO C[NH2+]C(C)(C)[C@@H](N)CC(C)C 259096160 573405278 /nfs/dbraw/zinc/40/52/78/573405278.db2.gz AQTGISHYADJWSK-QMMMGPOBSA-N 1 1 158.289 1.358 10 0 ADAEMO [NH3+][C@@H]1CC[C@H](NCc2ccncc2)C1 86397890 573405341 /nfs/dbraw/zinc/40/53/41/573405341.db2.gz PNEOCVCOTUSSDZ-MNOVXSKESA-N 1 1 191.278 1.051 10 0 ADAEMO CCC(CC)C(=O)N[C@H]1CC[N@@H+](C)C1 74864802 573405369 /nfs/dbraw/zinc/40/53/69/573405369.db2.gz VEMUUFLKUAFLMF-JTQLQIEISA-N 1 1 198.310 1.243 10 0 ADAEMO C[C@@H](N[C@H]1CC[C@H]([NH3+])C1)c1ccco1 86398441 573405374 /nfs/dbraw/zinc/40/53/74/573405374.db2.gz JAZHLZHERCSSIV-UTLUCORTSA-N 1 1 194.278 1.810 10 0 ADAEMO [NH3+][C@H]1CC[C@@H](NCc2ccccn2)C1 86397502 573405562 /nfs/dbraw/zinc/40/55/62/573405562.db2.gz OMEPTSZUXLCOGQ-VHSXEESVSA-N 1 1 191.278 1.051 10 0 ADAEMO CCc1coc([C@@H](C)[NH3+])n1 259096796 573405642 /nfs/dbraw/zinc/40/56/42/573405642.db2.gz DLRHYOAILQBMRT-RXMQYKEDSA-N 1 1 140.186 1.257 10 0 ADAEMO C[C@H]1C[NH2+]Cc2ccccc2[S@]1=O 107185846 573405730 /nfs/dbraw/zinc/40/57/30/573405730.db2.gz HSSZYBFMNMBYFE-ISVAXAHUSA-N 1 1 195.287 1.286 10 0 ADAEMO CCC(=O)[C@H](C)[N@@H+](C)C(C)(C)CO 133543810 573405754 /nfs/dbraw/zinc/40/57/54/573405754.db2.gz SDNPMSAPVMMHFU-QMMMGPOBSA-N 1 1 187.283 1.057 10 0 ADAEMO CCC[N@@H+](CCN(C)C)C1CCC1 308382665 573405825 /nfs/dbraw/zinc/40/58/25/573405825.db2.gz VFZDXAHOYBJLIM-UHFFFAOYSA-N 1 1 184.327 1.813 10 0 ADAEMO COc1ccc(OC)n2c[nH+]cc12 238389032 573405896 /nfs/dbraw/zinc/40/58/96/573405896.db2.gz DZTDEYMBASAAKJ-UHFFFAOYSA-N 1 1 178.191 1.352 10 0 ADAEMO C[C@H]1C[N@H+]([C@H]2CC[C@@H](C)C2)[C@@H](C)CN1 83118031 573406142 /nfs/dbraw/zinc/40/61/42/573406142.db2.gz WAKBBGMWSBLATA-RHYQMDGZSA-N 1 1 196.338 1.857 10 0 ADAEMO O=C1CC[NH2+][C@H]1Cc1ccccc1F 107180675 573406227 /nfs/dbraw/zinc/40/62/27/573406227.db2.gz OWEREECUEMNFBT-JTQLQIEISA-N 1 1 193.221 1.299 10 0 ADAEMO CC(C)=CC[N@H+]1C[C@H](C)NC[C@H]1C 83118910 573407840 /nfs/dbraw/zinc/40/78/40/573407840.db2.gz NRMUBUJKOAYNRE-WDEREUQCSA-N 1 1 182.311 1.635 10 0 ADAEMO CC(C)=CC[N@@H+]1C[C@H](C)NC[C@H]1C 83118910 573407854 /nfs/dbraw/zinc/40/78/54/573407854.db2.gz NRMUBUJKOAYNRE-WDEREUQCSA-N 1 1 182.311 1.635 10 0 ADAEMO [NH3+][C@@H]1CC[C@@H](NCc2ccccn2)C1 86397505 573408027 /nfs/dbraw/zinc/40/80/27/573408027.db2.gz OMEPTSZUXLCOGQ-NXEZZACHSA-N 1 1 191.278 1.051 10 0 ADAEMO CC[C@H]([NH2+][C@H]1CCOC1=O)C(C)C 308386437 573412356 /nfs/dbraw/zinc/41/23/56/573412356.db2.gz XHLHGHDJMXAOQC-IUCAKERBSA-N 1 1 185.267 1.326 10 0 ADAEMO COC(=O)[C@@H]([N@H+](C)C1CC1)C(C)(C)C 259097956 573412370 /nfs/dbraw/zinc/41/23/70/573412370.db2.gz PSGZWXCPANGKAR-SECBINFHSA-N 1 1 199.294 1.668 10 0 ADAEMO COC(=O)[C@@H]([N@@H+](C)C1CC1)C(C)(C)C 259097956 573412376 /nfs/dbraw/zinc/41/23/76/573412376.db2.gz PSGZWXCPANGKAR-SECBINFHSA-N 1 1 199.294 1.668 10 0 ADAEMO CCCC[N@H+]1CCC(C)(C)[C@@H](O)C1 258646608 573412377 /nfs/dbraw/zinc/41/23/77/573412377.db2.gz DDWPEGQDRRBIJE-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO Nc1[nH+]cccc1C[C@@H](O)C1CCC1 83120917 573414652 /nfs/dbraw/zinc/41/46/52/573414652.db2.gz OTYBYTSEOWLIFR-SNVBAGLBSA-N 1 1 192.262 1.367 10 0 ADAEMO CC[C@H]([NH3+])c1nc(C2CCC2)no1 83120018 573414697 /nfs/dbraw/zinc/41/46/97/573414697.db2.gz CFDURNYLFBJVRB-ZETCQYMHSA-N 1 1 181.239 1.747 10 0 ADAEMO C[NH2+]Cc1nc(C2CCC2)no1 83120059 573414739 /nfs/dbraw/zinc/41/47/39/573414739.db2.gz UGDCKWVZGVAKQO-UHFFFAOYSA-N 1 1 167.212 1.057 10 0 ADAEMO Cc1cc[nH+]c(N)c1[C@@H](O)C1CCC1 83120647 573414813 /nfs/dbraw/zinc/41/48/13/573414813.db2.gz VHUZRGXSQDCKPU-JTQLQIEISA-N 1 1 192.262 1.806 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1C[C@@H](C)ON 259442830 573414842 /nfs/dbraw/zinc/41/48/42/573414842.db2.gz LHVOXQQNCOFPKT-NXEZZACHSA-N 1 1 186.299 1.530 10 0 ADAEMO CC(C)[N@@H+]1CCCC(=O)[C@H]1C 107220293 573414916 /nfs/dbraw/zinc/41/49/16/573414916.db2.gz VHVRTPQFUXSRGV-MRVPVSSYSA-N 1 1 155.241 1.448 10 0 ADAEMO CC(C)[N@H+]1CCCC(=O)[C@H]1C 107220293 573414919 /nfs/dbraw/zinc/41/49/19/573414919.db2.gz VHVRTPQFUXSRGV-MRVPVSSYSA-N 1 1 155.241 1.448 10 0 ADAEMO C[NH2+]C(C)(C)c1nc(C2CCC2)no1 83120071 573414970 /nfs/dbraw/zinc/41/49/70/573414970.db2.gz HJTWMFNLVJLKLR-UHFFFAOYSA-N 1 1 195.266 1.792 10 0 ADAEMO C[N@H+](Cc1cnc(N)o1)CC1CCC1 308579929 573414971 /nfs/dbraw/zinc/41/49/71/573414971.db2.gz ORSZQKMNWHWZJO-UHFFFAOYSA-N 1 1 195.266 1.489 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1C[C@H](C)ON 259442832 573416372 /nfs/dbraw/zinc/41/63/72/573416372.db2.gz LHVOXQQNCOFPKT-VHSXEESVSA-N 1 1 186.299 1.530 10 0 ADAEMO C[NH2+][C@@H](C)c1nc(C2CCC2)no1 83126274 573416383 /nfs/dbraw/zinc/41/63/83/573416383.db2.gz LJMIKSWVAAYDEX-LURJTMIESA-N 1 1 181.239 1.618 10 0 ADAEMO CN(C)c1ccc(C(=O)C[NH3+])cc1F 258024743 573420319 /nfs/dbraw/zinc/42/03/19/573420319.db2.gz INZHCPLFLMUMQI-UHFFFAOYSA-N 1 1 196.225 1.033 10 0 ADAEMO Cc1c(O)ccc(C(=O)C[NH3+])c1C 258026518 573423117 /nfs/dbraw/zinc/42/31/17/573423117.db2.gz ONUBBHVZQZOHSE-UHFFFAOYSA-N 1 1 179.219 1.150 10 0 ADAEMO C[NH2+]Cc1c[nH]c(C2CCC2)n1 83136744 573423120 /nfs/dbraw/zinc/42/31/20/573423120.db2.gz CBRSMRMCCZVNHA-UHFFFAOYSA-N 1 1 165.240 1.397 10 0 ADAEMO CC[C@@H]1[C@@H](O)CC[N@H+]1C(C)C 107220705 573423397 /nfs/dbraw/zinc/42/33/97/573423397.db2.gz WNJCYIMIOREMID-BDAKNGLRSA-N 1 1 157.257 1.240 10 0 ADAEMO CC[C@@H](C)C[N@H+](CC)C[C@@H](C)NC 86437280 573423520 /nfs/dbraw/zinc/42/35/20/573423520.db2.gz RTTBETGANUVKAG-GHMZBOCLSA-N 1 1 186.343 1.962 10 0 ADAEMO CC[C@@H](C)C[N@@H+](CC)C[C@@H](C)NC 86437280 573423522 /nfs/dbraw/zinc/42/35/22/573423522.db2.gz RTTBETGANUVKAG-GHMZBOCLSA-N 1 1 186.343 1.962 10 0 ADAEMO C[C@@H](N)[C@@H]1CCCCCC[NH2+]1 238391869 573423544 /nfs/dbraw/zinc/42/35/44/573423544.db2.gz ULPWSHMLELBZHV-BDAKNGLRSA-N 1 1 156.273 1.256 10 0 ADAEMO CC(C)[C@@H]([NH3+])c1cc(=O)o[nH]1 107220348 573423661 /nfs/dbraw/zinc/42/36/61/573423661.db2.gz OYZWEPVWJIZHJA-SSDOTTSWSA-N 1 1 156.185 1.036 10 0 ADAEMO CC[C@@H]1C(=O)CCC[N@@H+]1C(C)C 107224352 573429705 /nfs/dbraw/zinc/42/97/05/573429705.db2.gz AXLKXWHMWLNAIR-SECBINFHSA-N 1 1 169.268 1.838 10 0 ADAEMO CC[C@@H]1C(=O)CCC[N@H+]1C(C)C 107224352 573429710 /nfs/dbraw/zinc/42/97/10/573429710.db2.gz AXLKXWHMWLNAIR-SECBINFHSA-N 1 1 169.268 1.838 10 0 ADAEMO C[C@H](O)C(F)(F)[C@H]1CCC[N@@H+](C)C1 257812250 573429717 /nfs/dbraw/zinc/42/97/17/573429717.db2.gz BPBJLMRDYQLPHI-YUMQZZPRSA-N 1 1 193.237 1.344 10 0 ADAEMO C1CCC(NCCN2CCCC2)=[NH+]C1 86455458 573436192 /nfs/dbraw/zinc/43/61/92/573436192.db2.gz HLOFIMHLARPTBK-UHFFFAOYSA-N 1 1 195.310 1.254 10 0 ADAEMO CC(C)[N@H+]1Cc2[nH]oc(=O)c2[C@H]1C 107229344 573436197 /nfs/dbraw/zinc/43/61/97/573436197.db2.gz RHVQVZMJRGVSLJ-ZCFIWIBFSA-N 1 1 182.223 1.253 10 0 ADAEMO Cc1ccc2c(c1)CC[NH2+][C@@H]2CN 257812738 573436221 /nfs/dbraw/zinc/43/62/21/573436221.db2.gz BUMHNLNNLIBFOF-LLVKDONJSA-N 1 1 176.263 1.141 10 0 ADAEMO CC[C@@H]1[N@@H+](C)CCC[C@]12CCC[NH2+]C2 107237434 573436304 /nfs/dbraw/zinc/43/63/04/573436304.db2.gz FYXWZPLJAQDDHI-RYUDHWBXSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)[C@]1([C@@H]2CCCCN2)CCC[NH2+]1 258020949 573436343 /nfs/dbraw/zinc/43/63/43/573436343.db2.gz BMZBVUOTZVLXGP-RYUDHWBXSA-N 1 1 196.338 1.907 10 0 ADAEMO CCc1[nH]c(C[C@H]2CC[NH2+]C2)nc1C 257813264 573436434 /nfs/dbraw/zinc/43/64/34/573436434.db2.gz CARHUSWVEVBSLF-SECBINFHSA-N 1 1 193.294 1.433 10 0 ADAEMO CC(C)[C@@H]1[C@H]2[NH2+]CCC[C@H]2CN1C 107229893 573436452 /nfs/dbraw/zinc/43/64/52/573436452.db2.gz RPZYTJWJAZOYHJ-GARJFASQSA-N 1 1 182.311 1.325 10 0 ADAEMO COc1ccccc1[C@@H]([NH3+])N(C)C 259448168 573436482 /nfs/dbraw/zinc/43/64/82/573436482.db2.gz JBTGGSBIFOQQPN-JTQLQIEISA-N 1 1 180.251 1.214 10 0 ADAEMO C[C@H]1CC(C)(C)[NH2+]C[C@@H](C)N1 238395342 573436518 /nfs/dbraw/zinc/43/65/18/573436518.db2.gz FMOQQWIPJBEVPI-JGVFFNPUSA-N 1 1 156.273 1.125 10 0 ADAEMO COc1cc(N)cc(C2CCC2)[nH+]1 257813149 573436540 /nfs/dbraw/zinc/43/65/40/573436540.db2.gz BYYLJHSRBBGBTG-UHFFFAOYSA-N 1 1 178.235 1.940 10 0 ADAEMO C[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C(C)(C)N1C 107229882 573436547 /nfs/dbraw/zinc/43/65/47/573436547.db2.gz PORLTBLKLQRVOB-UTLUCORTSA-N 1 1 182.311 1.467 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1/C=C\CCO 258021170 573436558 /nfs/dbraw/zinc/43/65/58/573436558.db2.gz BOKVCPXMOFPDBU-UUSYTGMJSA-N 1 1 183.295 1.798 10 0 ADAEMO O=C1C[NH2+]CC[C@H]1C1CCSCC1 257812991 573436575 /nfs/dbraw/zinc/43/65/75/573436575.db2.gz ARWVYUGLTCCZLT-VIFPVBQESA-N 1 1 199.319 1.308 10 0 ADAEMO [NH3+][C@H](c1ccccc1)c1cc(=O)o[nH]1 107233066 573436588 /nfs/dbraw/zinc/43/65/88/573436588.db2.gz PCROTYLLNAVBJW-SNVBAGLBSA-N 1 1 190.202 1.016 10 0 ADAEMO CC[C@@H](CO)C[C@@H]1CC[N@@H+](C)C1 259449300 573436589 /nfs/dbraw/zinc/43/65/89/573436589.db2.gz QHXJOLRZUJKEIO-ZJUUUORDSA-N 1 1 171.284 1.347 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@](F)(C[NH3+])C1 118866248 573436909 /nfs/dbraw/zinc/43/69/09/573436909.db2.gz IBGGWXOGALBXIZ-SECBINFHSA-N 1 1 174.263 1.158 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@@](F)(CN)C1 118866248 573436914 /nfs/dbraw/zinc/43/69/14/573436914.db2.gz IBGGWXOGALBXIZ-SECBINFHSA-N 1 1 174.263 1.158 10 0 ADAEMO CC(C)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 107229922 573436941 /nfs/dbraw/zinc/43/69/41/573436941.db2.gz JZFAZNBGROITDH-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO COc1ccccc1[C@H]([NH3+])N(C)C 259448171 573436954 /nfs/dbraw/zinc/43/69/54/573436954.db2.gz JBTGGSBIFOQQPN-SNVBAGLBSA-N 1 1 180.251 1.214 10 0 ADAEMO [NH3+][C@@H](c1ccccc1)c1cc(=O)o[nH]1 107233062 573437060 /nfs/dbraw/zinc/43/70/60/573437060.db2.gz PCROTYLLNAVBJW-JTQLQIEISA-N 1 1 190.202 1.016 10 0 ADAEMO CN(C)[C@H](c1cc[nH]c1)C1(C[NH3+])CC1 259448136 573437183 /nfs/dbraw/zinc/43/71/83/573437183.db2.gz JBPNDVDCULAHTG-SNVBAGLBSA-N 1 1 193.294 1.356 10 0 ADAEMO CCOc1cccc(C(=O)C[NH3+])c1 126212798 573437197 /nfs/dbraw/zinc/43/71/97/573437197.db2.gz WYBHLQHPWKNZHB-UHFFFAOYSA-N 1 1 179.219 1.227 10 0 ADAEMO CC[C@H](CO)C[C@@H]1CC[N@@H+](C)C1 259449297 573437244 /nfs/dbraw/zinc/43/72/44/573437244.db2.gz QHXJOLRZUJKEIO-UWVGGRQHSA-N 1 1 171.284 1.347 10 0 ADAEMO CC[C@@H]1[C@H]2NCCC[C@H]2C[N@@H+]1C1CC1 107235865 573437256 /nfs/dbraw/zinc/43/72/56/573437256.db2.gz LIEFQBAVPAZIDX-WCQGTBRESA-N 1 1 194.322 1.611 10 0 ADAEMO CC[C@@H]1[C@H]2NCCC[C@H]2C[N@H+]1C1CC1 107235865 573437265 /nfs/dbraw/zinc/43/72/65/573437265.db2.gz LIEFQBAVPAZIDX-WCQGTBRESA-N 1 1 194.322 1.611 10 0 ADAEMO COC(=O)/C=C1/CC[N@@H+](C)[C@@H](C)C1 107230523 573440356 /nfs/dbraw/zinc/44/03/56/573440356.db2.gz YETYPZJKUFVGJQ-FZGDARCMSA-N 1 1 183.251 1.200 10 0 ADAEMO CCc1cc(CC2CC[NH2+]CC2)[nH]n1 107234701 573440702 /nfs/dbraw/zinc/44/07/02/573440702.db2.gz HOJKFBHLWDLPET-UHFFFAOYSA-N 1 1 193.294 1.514 10 0 ADAEMO CC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](C)O 308582355 573440733 /nfs/dbraw/zinc/44/07/33/573440733.db2.gz KMIAYOZRMPPCEW-GHMZBOCLSA-N 1 1 199.294 1.201 10 0 ADAEMO CC1=C[C@H](C)CC2=NCC[NH2+][C@@H]12 238397022 573443101 /nfs/dbraw/zinc/44/31/01/573443101.db2.gz RAKDZGKSAPRPNV-XVKPBYJWSA-N 1 1 164.252 1.385 10 0 ADAEMO CC(C)n1ccnc1N[C@@H]1CC[NH2+]C1 258037685 573443258 /nfs/dbraw/zinc/44/32/58/573443258.db2.gz JANWEFLRZBZHJK-SECBINFHSA-N 1 1 194.282 1.238 10 0 ADAEMO CC(=O)[C@H](F)C[C@H]1CC[N@H+](C)C1 257813433 573443305 /nfs/dbraw/zinc/44/33/05/573443305.db2.gz CAPXMAWNLISFJP-RKDXNWHRSA-N 1 1 173.231 1.255 10 0 ADAEMO CC[N@H+]1CC[C@](O)(c2cc(C)co2)C1 715806901 573443408 /nfs/dbraw/zinc/44/34/08/573443408.db2.gz MGACHIMNNGRXTI-LLVKDONJSA-N 1 1 195.262 1.501 10 0 ADAEMO 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257816826 573452036 /nfs/dbraw/zinc/45/20/36/573452036.db2.gz DPKHIVWVCPEJKN-JTQLQIEISA-N 1 1 195.262 1.200 10 0 ADAEMO C[C@@H]1CCCC[N@@H+]1C[C@H](F)CN 107257790 573452070 /nfs/dbraw/zinc/45/20/70/573452070.db2.gz ARNUCGDWZGHCNS-RKDXNWHRSA-N 1 1 174.263 1.158 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1C[C@H](F)CN 107257790 573452077 /nfs/dbraw/zinc/45/20/77/573452077.db2.gz ARNUCGDWZGHCNS-RKDXNWHRSA-N 1 1 174.263 1.158 10 0 ADAEMO CC[C@@H](C)[C@@H](O)CCc1[nH+]ccn1C 126267643 573452115 /nfs/dbraw/zinc/45/21/15/573452115.db2.gz MJMVCRTUFQJWGW-ZJUUUORDSA-N 1 1 196.294 1.760 10 0 ADAEMO Cc1nccn1CC[C@@H]1CCC[N@@H+]1C 687715386 571687184 /nfs/dbraw/zinc/68/71/84/571687184.db2.gz CYNCUJPVQZRLOV-NSHDSACASA-N 1 1 193.294 1.676 10 0 ADAEMO C[C@H]1CCC[N@H+](C2(CN)CCC2)CC1 86475187 573452172 /nfs/dbraw/zinc/45/21/72/573452172.db2.gz NPRGSEBUXBDOEY-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO CC[C@H](C)[N@H+](C)C1CCNCC1 37110365 571688792 /nfs/dbraw/zinc/68/87/92/571688792.db2.gz VZQITQBTHSADIG-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC2(C)C)C1 234407180 571697195 /nfs/dbraw/zinc/69/71/95/571697195.db2.gz YQKGXYKDJMDBNV-MNOVXSKESA-N 1 1 196.338 1.574 10 0 ADAEMO C[C@@H](CC(F)F)C[N@@H+](C)[C@@H](C)CO 687894042 571697272 /nfs/dbraw/zinc/69/72/72/571697272.db2.gz NDJLSTDFNWKKNU-YUMQZZPRSA-N 1 1 195.253 1.590 10 0 ADAEMO CC[N@@H+]1CC[C@@H](N)[C@@H]1CCC(C)C 712102009 571697287 /nfs/dbraw/zinc/69/72/87/571697287.db2.gz KCJBYQMPNJSBGQ-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@H+]1CC[C@@H](N)[C@@H]1CCC(C)C 712102009 571697290 /nfs/dbraw/zinc/69/72/90/571697290.db2.gz KCJBYQMPNJSBGQ-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO CCN1CC[C@@H]([NH3+])[C@@H]1CCC(C)C 712102009 571697292 /nfs/dbraw/zinc/69/72/92/571697292.db2.gz KCJBYQMPNJSBGQ-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO C[N@H+](CC1(CN)CC1)C(C)(C)C 213980877 571697298 /nfs/dbraw/zinc/69/72/98/571697298.db2.gz TZEBROZCLBXWDV-UHFFFAOYSA-N 1 1 170.300 1.456 10 0 ADAEMO C[N@@H+](CC1(CN)CC1)C(C)(C)C 213980877 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1 171.284 1.488 10 0 ADAEMO O=C(C[NH+]1CCCCCC1)C(F)F 687699120 572018526 /nfs/dbraw/zinc/01/85/26/572018526.db2.gz VXQQQANGHUDRQF-UHFFFAOYSA-N 1 1 191.221 1.697 10 0 ADAEMO CC[N@H+](CC(=O)c1ccc[nH]1)C1CC1 35252590 572018529 /nfs/dbraw/zinc/01/85/29/572018529.db2.gz MUQJBGUPYQGRMM-UHFFFAOYSA-N 1 1 192.262 1.682 10 0 ADAEMO CC[N@@H+](CC(=O)c1ccc[nH]1)C1CC1 35252590 572018530 /nfs/dbraw/zinc/01/85/30/572018530.db2.gz MUQJBGUPYQGRMM-UHFFFAOYSA-N 1 1 192.262 1.682 10 0 ADAEMO CCC(C)(C)[N@@H+](C)C[C@@H](N)C1CC1 68997226 572018534 /nfs/dbraw/zinc/01/85/34/572018534.db2.gz RFACRPCCFKSCPQ-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC(C)(C)N(C)C[C@@H]([NH3+])C1CC1 68997226 572018535 /nfs/dbraw/zinc/01/85/35/572018535.db2.gz RFACRPCCFKSCPQ-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CC1CCC([N@H+](C)[C@H](C)CN)CC1 42472915 572021480 /nfs/dbraw/zinc/02/14/80/572021480.db2.gz GGALYCULLLCVNN-HSOILSAZSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC(C)(C)[N@@H+](C)CC(C)(C)N 69015552 572021485 /nfs/dbraw/zinc/02/14/85/572021485.db2.gz YSDXBPZJPVHXNG-UHFFFAOYSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC(C)(C)N(C)CC(C)(C)[NH3+] 69015552 572021486 /nfs/dbraw/zinc/02/14/86/572021486.db2.gz YSDXBPZJPVHXNG-UHFFFAOYSA-N 1 1 172.316 1.844 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](C(C)(C)N)C1 687774654 572022704 /nfs/dbraw/zinc/02/27/04/572022704.db2.gz HEJFFZVFSPBULY-SFYZADRCSA-N 1 1 156.273 1.112 10 0 ADAEMO CC[NH+](CC)CC(=O)C(F)F 687699076 572022724 /nfs/dbraw/zinc/02/27/24/572022724.db2.gz UQBROBWBVGBHJD-UHFFFAOYSA-N 1 1 165.183 1.162 10 0 ADAEMO CC[N@@H+](C)[C@H](CN)[C@@H](C)CC(C)C 300889948 572022743 /nfs/dbraw/zinc/02/27/43/572022743.db2.gz JTXNDFDFZNSSOI-WDEREUQCSA-N 1 1 186.343 1.948 10 0 ADAEMO CCN(C)[C@H](C[NH3+])[C@@H](C)CC(C)C 300889948 572022744 /nfs/dbraw/zinc/02/27/44/572022744.db2.gz JTXNDFDFZNSSOI-WDEREUQCSA-N 1 1 186.343 1.948 10 0 ADAEMO COC(=O)[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C1 300244244 572024593 /nfs/dbraw/zinc/02/45/93/572024593.db2.gz WPASUCNUKVDNSX-LPEHRKFASA-N 1 1 199.294 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/nfs/dbraw/zinc/02/78/62/572027862.db2.gz DKFVFOLETKHIKE-UHFFFAOYSA-N 1 1 197.200 1.850 10 0 ADAEMO CC[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](N)C1 234024197 572027912 /nfs/dbraw/zinc/02/79/12/572027912.db2.gz PGSPEQKLTXLJTO-VLEAKVRGSA-N 1 1 184.327 1.700 10 0 ADAEMO CCCCCC[C@@](C)([NH3+])CN 35676956 572027959 /nfs/dbraw/zinc/02/79/59/572027959.db2.gz TYDDNYFWVPPEOV-SECBINFHSA-N 1 1 158.289 1.633 10 0 ADAEMO CC[C@H](C)C[C@]([NH3+])(CC)CN 35676995 572028337 /nfs/dbraw/zinc/02/83/37/572028337.db2.gz LGGMEIGTWGHYFB-DTWKUNHWSA-N 1 1 158.289 1.489 10 0 ADAEMO CC[C@@H](C)C[C@@]([NH3+])(CC)CN 35676992 572028351 /nfs/dbraw/zinc/02/83/51/572028351.db2.gz LGGMEIGTWGHYFB-BDAKNGLRSA-N 1 1 158.289 1.489 10 0 ADAEMO CCC[N@@H+](C)[C@@](C)(CN)C1CC1 35659552 572029410 /nfs/dbraw/zinc/02/94/10/572029410.db2.gz DVWDQJIRHKSWIP-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC[N@H+]1[C@@H](C)CCC[C@@H]1CN 82450998 572029411 /nfs/dbraw/zinc/02/94/11/572029411.db2.gz QSYQHLWJQMVXIH-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CC[N@@H+](C(C)C)[C@](C)(CN)C1CC1 35659541 572029414 /nfs/dbraw/zinc/02/94/14/572029414.db2.gz LYTBPTHLFIZFFJ-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](N)C2)[C@H](C)C1 78466642 573490506 /nfs/dbraw/zinc/49/05/06/573490506.db2.gz FFGPJLBTSNUDAQ-WISYIIOYSA-N 1 1 196.338 1.844 10 0 ADAEMO CC[N@H+]1CCC(C)(C)[C@H](O)C1 258689074 573492332 /nfs/dbraw/zinc/49/23/32/573492332.db2.gz GMQADXXEMIZBQY-MRVPVSSYSA-N 1 1 157.257 1.099 10 0 ADAEMO CC1(C)C[C@H](NCCC2CCC2)C[NH2+]1 258693987 573492343 /nfs/dbraw/zinc/49/23/43/573492343.db2.gz DQDCJUACXSXAGZ-NSHDSACASA-N 1 1 196.338 1.907 10 0 ADAEMO Cc1c([C@@H]2[NH2+]C[C@H](C)S2)cnn1C 86552912 573492367 /nfs/dbraw/zinc/49/23/67/573492367.db2.gz VHCUSUSGJKIJJF-IMTBSYHQSA-N 1 1 197.307 1.452 10 0 ADAEMO C/C=C\CC[NH2+][C@H](CC)C(=O)OCC 308394408 573492381 /nfs/dbraw/zinc/49/23/81/573492381.db2.gz UOMKVDYRGUAASD-ISGFRBBESA-N 1 1 199.294 1.884 10 0 ADAEMO C1=C(CN2CCCCC2)C[NH2+]C1 258041744 573492391 /nfs/dbraw/zinc/49/23/91/573492391.db2.gz KSYLQQNTMBUTNT-UHFFFAOYSA-N 1 1 166.268 1.002 10 0 ADAEMO CC[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](N)C1 42580584 572036058 /nfs/dbraw/zinc/03/60/58/572036058.db2.gz MWNLIQIPSGYQCR-GRYCIOLGSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCCCCN1CC[NH2+][C@H](C)C1=O 82476228 572036073 /nfs/dbraw/zinc/03/60/73/572036073.db2.gz CJSUJFXASAKGPB-SNVBAGLBSA-N 1 1 198.310 1.387 10 0 ADAEMO COC(=O)C[C@@H](C)[N@@H+](C)C1CCCC1 35752538 572036119 /nfs/dbraw/zinc/03/61/19/572036119.db2.gz NBEYOGAKRHMRBU-SECBINFHSA-N 1 1 199.294 1.812 10 0 ADAEMO CCCCc1nc(CCC[NH3+])n[nH]1 82510231 572036461 /nfs/dbraw/zinc/03/64/61/572036461.db2.gz TXVFGSCWGPZDGR-UHFFFAOYSA-N 1 1 182.271 1.039 10 0 ADAEMO CCCCc1nnc(CCC[NH3+])[nH]1 82510231 572036463 /nfs/dbraw/zinc/03/64/63/572036463.db2.gz TXVFGSCWGPZDGR-UHFFFAOYSA-N 1 1 182.271 1.039 10 0 ADAEMO CCC[N@@H+](C)[C@H](C)CC(=O)OC 35752585 572038287 /nfs/dbraw/zinc/03/82/87/572038287.db2.gz GAAFRTBQLKYYQC-MRVPVSSYSA-N 1 1 173.256 1.280 10 0 ADAEMO CC[NH2+]CCNCCC1CCC1 229115821 572041831 /nfs/dbraw/zinc/04/18/31/572041831.db2.gz ZKWVAUYBDLIXDR-UHFFFAOYSA-N 1 1 170.300 1.376 10 0 ADAEMO CSCCC[N@@H+]1C[C@H](C)[C@@H](N)C1 235053446 572041861 /nfs/dbraw/zinc/04/18/61/572041861.db2.gz PTFCWWGSAPGRDQ-IUCAKERBSA-N 1 1 188.340 1.019 10 0 ADAEMO CSCCC[N@H+]1C[C@H](C)[C@@H](N)C1 235053446 572041864 /nfs/dbraw/zinc/04/18/64/572041864.db2.gz PTFCWWGSAPGRDQ-IUCAKERBSA-N 1 1 188.340 1.019 10 0 ADAEMO CC[C@H](N)C[N@@H+](C)CC1CCCC1 82492174 572041891 /nfs/dbraw/zinc/04/18/91/572041891.db2.gz QDBLSCPOCGEGSO-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H]([NH3+])CN(C)CC1CCCC1 82492174 572041893 /nfs/dbraw/zinc/04/18/93/572041893.db2.gz QDBLSCPOCGEGSO-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CSCCC[N@@H+]1C[C@@H](C)[C@@H](N)C1 235053160 572041909 /nfs/dbraw/zinc/04/19/09/572041909.db2.gz PTFCWWGSAPGRDQ-BDAKNGLRSA-N 1 1 188.340 1.019 10 0 ADAEMO CSCCC[N@H+]1C[C@@H](C)[C@@H](N)C1 235053160 572041910 /nfs/dbraw/zinc/04/19/10/572041910.db2.gz PTFCWWGSAPGRDQ-BDAKNGLRSA-N 1 1 188.340 1.019 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@@H+](C)CC1CCCC1 82492214 572041936 /nfs/dbraw/zinc/04/19/36/572041936.db2.gz CIRMHYROVIILFX-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C)N(C)CC1CCCC1 82492214 572041938 /nfs/dbraw/zinc/04/19/38/572041938.db2.gz CIRMHYROVIILFX-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](C)N 42607215 572042898 /nfs/dbraw/zinc/04/28/98/572042898.db2.gz COSFQCIDGKYCMK-AXFHLTTASA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@]12CCC[N@H+]1CCc1[nH]ccc12 34100680 572055178 /nfs/dbraw/zinc/05/51/78/572055178.db2.gz FAAIOPMGFSIXOV-LLVKDONJSA-N 1 1 176.263 1.882 10 0 ADAEMO CCO[C@@H](C(C)C)[C@@H]([NH2+]C)C(F)F 687706409 572055655 /nfs/dbraw/zinc/05/56/55/572055655.db2.gz KSELHGNPMJELCD-SFYZADRCSA-N 1 1 195.253 1.901 10 0 ADAEMO C[C@H]1c2ccc(O)cc2CC[N@@H+]1C 34111574 572055707 /nfs/dbraw/zinc/05/57/07/572055707.db2.gz OSCDNBJDUSLDHG-QMMMGPOBSA-N 1 1 177.247 1.941 10 0 ADAEMO C[C@@]12CCC[N@H+]1CCc1[nH]ccc12 34100679 572055733 /nfs/dbraw/zinc/05/57/33/572055733.db2.gz FAAIOPMGFSIXOV-NSHDSACASA-N 1 1 176.263 1.882 10 0 ADAEMO C[C@@H]1c2ccc(O)cc2CC[N@@H+]1C 34111573 572055757 /nfs/dbraw/zinc/05/57/57/572055757.db2.gz OSCDNBJDUSLDHG-MRVPVSSYSA-N 1 1 177.247 1.941 10 0 ADAEMO CC[C@H]1COCC[N@H+]1CCC(C)=O 36327290 572058465 /nfs/dbraw/zinc/05/84/65/572058465.db2.gz ZAOWCMPMNLFIAW-JTQLQIEISA-N 1 1 185.267 1.076 10 0 ADAEMO OC1(CC[N@H+]2CC[C@H]3C[C@H]32)CCC1 687820771 572058486 /nfs/dbraw/zinc/05/84/86/572058486.db2.gz UESHYAOMBPMWBS-VHSXEESVSA-N 1 1 181.279 1.386 10 0 ADAEMO CCC[N@@H+](C[C@@H](C)N)C(C)C 37096012 572089601 /nfs/dbraw/zinc/08/96/01/572089601.db2.gz WIWKZQPZWBRCQZ-SECBINFHSA-N 1 1 158.289 1.454 10 0 ADAEMO CCCN(C[C@@H](C)[NH3+])C(C)C 37096012 572089603 /nfs/dbraw/zinc/08/96/03/572089603.db2.gz WIWKZQPZWBRCQZ-SECBINFHSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[N@@H+](C[C@H](C)N)C(C)C 37096013 572089616 /nfs/dbraw/zinc/08/96/16/572089616.db2.gz WIWKZQPZWBRCQZ-VIFPVBQESA-N 1 1 158.289 1.454 10 0 ADAEMO CCCN(C[C@H](C)[NH3+])C(C)C 37096013 572089617 /nfs/dbraw/zinc/08/96/17/572089617.db2.gz WIWKZQPZWBRCQZ-VIFPVBQESA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1CCC[C@@H]1N 37094868 572089638 /nfs/dbraw/zinc/08/96/38/572089638.db2.gz JDHBYIMULQXGHL-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO CCCN(CC)[C@@H]1CCC[C@@H]1[NH3+] 37094868 572089640 /nfs/dbraw/zinc/08/96/40/572089640.db2.gz JDHBYIMULQXGHL-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@@H]1CCN(CC2CC2)C[C@@H]1[NH3+] 78481490 573493562 /nfs/dbraw/zinc/49/35/62/573493562.db2.gz VWSKNVJIFPNEBK-SCZZXKLOSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1N 78481490 573493569 /nfs/dbraw/zinc/49/35/69/573493569.db2.gz VWSKNVJIFPNEBK-SCZZXKLOSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1N 78481490 573493574 /nfs/dbraw/zinc/49/35/74/573493574.db2.gz VWSKNVJIFPNEBK-SCZZXKLOSA-N 1 1 168.284 1.066 10 0 ADAEMO CC[C@H](c1nccn1C)[N@@H+](C)CC 308393030 573493639 /nfs/dbraw/zinc/49/36/39/573493639.db2.gz BYGDYWPJPYDEEN-SECBINFHSA-N 1 1 181.283 1.823 10 0 ADAEMO CC(C)OC(=O)C[N@H+](C)C[C@H]1C[C@H]1C 82648983 572071835 /nfs/dbraw/zinc/07/18/35/572071835.db2.gz NKQHQQMDJQECSP-NXEZZACHSA-N 1 1 199.294 1.526 10 0 ADAEMO CC(C)OC(=O)C[N@@H+](C)C[C@H]1C[C@H]1C 82648983 572071836 /nfs/dbraw/zinc/07/18/36/572071836.db2.gz NKQHQQMDJQECSP-NXEZZACHSA-N 1 1 199.294 1.526 10 0 ADAEMO CC(=O)CCC[N@H+](C)C[C@@H]1C[C@H]1C 82649197 572071899 /nfs/dbraw/zinc/07/18/99/572071899.db2.gz HKNONCYVNSKDBL-KOLCDFICSA-N 1 1 183.295 1.943 10 0 ADAEMO CC[C@H](C)C[N@@H+](C)C[C@H](N)CC 36872068 572071901 /nfs/dbraw/zinc/07/19/01/572071901.db2.gz ODMXSRJAWHJVQU-VHSXEESVSA-N 1 1 172.316 1.702 10 0 ADAEMO CC[C@H](C)CN(C)C[C@H]([NH3+])CC 36872068 572071903 /nfs/dbraw/zinc/07/19/03/572071903.db2.gz ODMXSRJAWHJVQU-VHSXEESVSA-N 1 1 172.316 1.702 10 0 ADAEMO CCCC(=O)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82649141 572071932 /nfs/dbraw/zinc/07/19/32/572071932.db2.gz OCNCFLPEWWMMEP-UWVGGRQHSA-N 1 1 183.295 1.943 10 0 ADAEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)CN 36790259 572071947 /nfs/dbraw/zinc/07/19/47/572071947.db2.gz LMOWLIGYTDNCAO-IUCAKERBSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[C@H](C)N(C)[C@@H](C)C[NH3+] 36790259 572071949 /nfs/dbraw/zinc/07/19/49/572071949.db2.gz LMOWLIGYTDNCAO-IUCAKERBSA-N 1 1 158.289 1.454 10 0 ADAEMO C[C@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CCCC1=O 82650085 572071950 /nfs/dbraw/zinc/07/19/50/572071950.db2.gz DZJISASCPAKEHJ-GARJFASQSA-N 1 1 195.306 1.943 10 0 ADAEMO CC1(CNC[C@H]2CCC[NH2+]2)CCCC1 82625843 572073425 /nfs/dbraw/zinc/07/34/25/572073425.db2.gz SSVCWAOLOLCIRC-LLVKDONJSA-N 1 1 196.338 1.908 10 0 ADAEMO CC[C@@H](CC(N)=S)[N@@H+](C)C(C)C 36986827 572078333 /nfs/dbraw/zinc/07/83/33/572078333.db2.gz WHPDBIFJZMKCRD-QMMMGPOBSA-N 1 1 188.340 1.781 10 0 ADAEMO CCCC[C@H](C)C[N@@H+](C)CCO 300951282 572129689 /nfs/dbraw/zinc/12/96/89/572129689.db2.gz PBYVOAGYQLYZBX-JTQLQIEISA-N 1 1 173.300 1.737 10 0 ADAEMO CC(C)C[N@@H+](C)C(C)(C)CCO 258687912 573493744 /nfs/dbraw/zinc/49/37/44/573493744.db2.gz BIFLPDBAUMKSEE-UHFFFAOYSA-N 1 1 173.300 1.735 10 0 ADAEMO C[C@H]1CCn2c[nH+]c(N)c2C1 107310137 573493787 /nfs/dbraw/zinc/49/37/87/573493787.db2.gz UXRBBLMXMWKGGV-LURJTMIESA-N 1 1 151.213 1.048 10 0 ADAEMO Cc1nc2c(n1C1CC1)C[NH2+]C2 107308074 573493811 /nfs/dbraw/zinc/49/38/11/573493811.db2.gz NSMPOHLSDKRUAC-UHFFFAOYSA-N 1 1 163.224 1.130 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)[C@@H](CC)CN 37112542 572096964 /nfs/dbraw/zinc/09/69/64/572096964.db2.gz VTFCLKUSPIYLQX-UWVGGRQHSA-N 1 1 172.316 1.844 10 0 ADAEMO CC[N@H+](CC(N)=S)CC(C)C 37111616 572096987 /nfs/dbraw/zinc/09/69/87/572096987.db2.gz PUQZNOZNIGEXHU-UHFFFAOYSA-N 1 1 174.313 1.250 10 0 ADAEMO C[C@H]1Oc2ccccc2NC1=[NH2+] 34588897 572097004 /nfs/dbraw/zinc/09/70/04/572097004.db2.gz LVPQWZMSHDHTJO-ZCFIWIBFSA-N 1 1 162.192 1.857 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)C[C@@H](C)C(N)=S 37110164 572097030 /nfs/dbraw/zinc/09/70/30/572097030.db2.gz HLSHLJLVQKSWCO-HTQZYQBOSA-N 1 1 188.340 1.639 10 0 ADAEMO CNCC(C)(C)[N@H+](C)C(C)(C)C 258694842 573493863 /nfs/dbraw/zinc/49/38/63/573493863.db2.gz BROLMRYQHVRSPS-UHFFFAOYSA-N 1 1 172.316 1.715 10 0 ADAEMO CNCC(C)(C)[N@@H+](C)C(C)(C)C 258694842 573493869 /nfs/dbraw/zinc/49/38/69/573493869.db2.gz BROLMRYQHVRSPS-UHFFFAOYSA-N 1 1 172.316 1.715 10 0 ADAEMO CCC[N@@H+](CC)[C@@H](C)C(C)=O 37334857 572111243 /nfs/dbraw/zinc/11/12/43/572111243.db2.gz JCNSRMYVJMIBJH-QMMMGPOBSA-N 1 1 157.257 1.696 10 0 ADAEMO C1=C[C@H](CNC[C@H]2CCC[NH2+]2)CC1 711761784 572111556 /nfs/dbraw/zinc/11/15/56/572111556.db2.gz XJQIQXWKLMHDMX-WDEREUQCSA-N 1 1 180.295 1.294 10 0 ADAEMO CCC[N@@H+](C)Cc1ccc(O)c(N)c1 37273345 572111567 /nfs/dbraw/zinc/11/15/67/572111567.db2.gz YKEWZOASMKGHGU-UHFFFAOYSA-N 1 1 194.278 1.816 10 0 ADAEMO CCC[N@H+](C1CC1)[C@H](C)C(C)=O 37335264 572111596 /nfs/dbraw/zinc/11/15/96/572111596.db2.gz IFJGNPRIYWFDNA-MRVPVSSYSA-N 1 1 169.268 1.838 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1CCCC1=O 37334897 572111655 /nfs/dbraw/zinc/11/16/55/572111655.db2.gz PKEJWNYIGTUQJW-SECBINFHSA-N 1 1 169.268 1.840 10 0 ADAEMO CCCNCC[NH2+]C1(C)CCCC1 82785882 572111672 /nfs/dbraw/zinc/11/16/72/572111672.db2.gz LFUJQQIDYQXJKY-UHFFFAOYSA-N 1 1 184.327 1.908 10 0 ADAEMO C1=C[C@@H](CNC[C@@H]2CCC[NH2+]2)CC1 711761778 572111698 /nfs/dbraw/zinc/11/16/98/572111698.db2.gz XJQIQXWKLMHDMX-MNOVXSKESA-N 1 1 180.295 1.294 10 0 ADAEMO CCCCc1noc([C@H](C)[NH2+]C)n1 82778127 572111702 /nfs/dbraw/zinc/11/17/02/572111702.db2.gz AHQCDILXFQPBNN-ZETCQYMHSA-N 1 1 183.255 1.693 10 0 ADAEMO CC[C@@H](N)C[NH2+]C1(C)CCCC1 82785800 572111740 /nfs/dbraw/zinc/11/17/40/572111740.db2.gz UZZMEMWFMOULSE-SECBINFHSA-N 1 1 170.300 1.646 10 0 ADAEMO CC[C@H]1C[N@H+]([C@@H](C)CC(C)=O)CCO1 82791827 572111792 /nfs/dbraw/zinc/11/17/92/572111792.db2.gz XXVKWWKTEMFWCQ-ONGXEEELSA-N 1 1 199.294 1.465 10 0 ADAEMO CCC[N@@H+](C)[C@H](C)CC(C)=O 82791780 572111799 /nfs/dbraw/zinc/11/17/99/572111799.db2.gz KRMHNPJXKSNTEI-MRVPVSSYSA-N 1 1 157.257 1.696 10 0 ADAEMO CC(=O)C[C@@H](C)[N@@H+](C)C1CCOCC1 82791864 572111816 /nfs/dbraw/zinc/11/18/16/572111816.db2.gz FFUIBROXVILFTC-SECBINFHSA-N 1 1 199.294 1.465 10 0 ADAEMO CC(=O)C[C@H](C)[N@@H+](C)CC1CC1 82791898 572111819 /nfs/dbraw/zinc/11/18/19/572111819.db2.gz LBVHDOBVSKMQCU-QMMMGPOBSA-N 1 1 169.268 1.696 10 0 ADAEMO CC(C)(C)CCc1nnc(C[NH3+])s1 300958997 572160949 /nfs/dbraw/zinc/16/09/49/572160949.db2.gz YFSDLWLEBNXGRT-UHFFFAOYSA-N 1 1 199.323 1.976 10 0 ADAEMO CCC[C@@H](C)C[NH2+]C[C@H]1CCN(C)C1 37484752 572161141 /nfs/dbraw/zinc/16/11/41/572161141.db2.gz FCMYZAMACUVBML-VXGBXAGGSA-N 1 1 198.354 1.964 10 0 ADAEMO CCCC[NH2+]C[C@@H]1CCN(C)C1 37484724 572161184 /nfs/dbraw/zinc/16/11/84/572161184.db2.gz DNRZWTRCAWZHNO-JTQLQIEISA-N 1 1 170.300 1.328 10 0 ADAEMO COc1ccccc1[C@H]1[NH2+][C@@H](C)CO1 71506279 572161188 /nfs/dbraw/zinc/16/11/88/572161188.db2.gz WKDINDBWJOOYRL-KWQFWETISA-N 1 1 193.246 1.702 10 0 ADAEMO CC[C@H](C)[C@H](O)Cc1cc[nH+]c(N)c1 69941901 572161218 /nfs/dbraw/zinc/16/12/18/572161218.db2.gz NOVXABUIEXVHKV-WCBMZHEXSA-N 1 1 194.278 1.613 10 0 ADAEMO CC[C@@H](C)[C@H]([NH3+])Cc1cnccc1N 69941569 572161226 /nfs/dbraw/zinc/16/12/26/572161226.db2.gz IIUDWSWFLCYROR-LDYMZIIASA-N 1 1 193.294 1.580 10 0 ADAEMO CCC[NH2+]Cc1nc(C2CCC2)no1 83120012 572187329 /nfs/dbraw/zinc/18/73/29/572187329.db2.gz ZMPFTEXHBXZNDJ-UHFFFAOYSA-N 1 1 195.266 1.837 10 0 ADAEMO C[C@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)[C@@H]1C 83040641 572187355 /nfs/dbraw/zinc/18/73/55/572187355.db2.gz PYDHZRCQNOVSFS-IQJOONFLSA-N 1 1 193.294 1.934 10 0 ADAEMO C[C@H]1[C@@H](O)CC[C@@H]1c1ccc[nH+]c1N 83036415 572187387 /nfs/dbraw/zinc/18/73/87/572187387.db2.gz HCQKWZKPSGRTTN-WEDXCCLWSA-N 1 1 192.262 1.538 10 0 ADAEMO CC[C@@](C)(CN)[N@H+]1CCCC[C@@H]1C 19487543 572187439 /nfs/dbraw/zinc/18/74/39/572187439.db2.gz SKIQWNKERINIHA-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCCC[N@H+]1[C@@H](C)CCNC[C@H]1C 249855569 572189926 /nfs/dbraw/zinc/18/99/26/572189926.db2.gz LOTVVYWXKRNROL-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO C[NH2+]Cc1cccc2cncn12 107308646 573498231 /nfs/dbraw/zinc/49/82/31/573498231.db2.gz VZKMONCYLRUDNE-UHFFFAOYSA-N 1 1 161.208 1.054 10 0 ADAEMO CC[N@@H+]1C[C@H](C)[C@@H](N[C@H](C)CF)C1 308399307 573499149 /nfs/dbraw/zinc/49/91/49/573499149.db2.gz GGKJNEDEUQVZCZ-AEJSXWLSSA-N 1 1 188.290 1.274 10 0 ADAEMO CC(C)Cc1cn2c([nH+]1)CC[C@H](O)C2 258696255 573499153 /nfs/dbraw/zinc/49/91/53/573499153.db2.gz YFBAQTYZNAOSFU-JTQLQIEISA-N 1 1 194.278 1.389 10 0 ADAEMO CC[N@H+]1C[C@H](C)[C@@H](N[C@H](C)CF)C1 308399307 573499158 /nfs/dbraw/zinc/49/91/58/573499158.db2.gz GGKJNEDEUQVZCZ-AEJSXWLSSA-N 1 1 188.290 1.274 10 0 ADAEMO C[C@H]1CCC[C@@H]([N@@H+](C)CCN)CC1 83434306 573499182 /nfs/dbraw/zinc/49/91/82/573499182.db2.gz COCCPYZDJBDJTH-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H]1CCC[C@@H](N(C)CC[NH3+])CC1 83434306 573499188 /nfs/dbraw/zinc/49/91/88/573499188.db2.gz COCCPYZDJBDJTH-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO Cn1ccnc1[C@@H]1[NH2+]Cc2ccccc21 83389380 572206824 /nfs/dbraw/zinc/20/68/24/572206824.db2.gz IRDNZSOCXHLYSB-LLVKDONJSA-N 1 1 199.257 1.613 10 0 ADAEMO CCN(CC)CC(C)(C)NC(C)=[NH2+] 308608551 573499225 /nfs/dbraw/zinc/49/92/25/573499225.db2.gz RQVKDUMPKLFOJK-UHFFFAOYSA-N 1 1 185.315 1.694 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@]1(CN)CCC[C@@H]1C 83392285 572208192 /nfs/dbraw/zinc/20/81/92/572208192.db2.gz BVMBHKNALGVHIP-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[N@@H+](C1CC1)[C@]1(CN)CCC[C@@H]1C 83392283 572208213 /nfs/dbraw/zinc/20/82/13/572208213.db2.gz BVMBHKNALGVHIP-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]([NH3+])c1cccc2cncn12 107308657 573499317 /nfs/dbraw/zinc/49/93/17/573499317.db2.gz QRJLIUCFSFKMML-SSDOTTSWSA-N 1 1 161.208 1.354 10 0 ADAEMO C[C@@H]1CC[C@@]12[C@H](N)CC[N@@H+]2CC1CC1 712025281 572240065 /nfs/dbraw/zinc/24/00/65/572240065.db2.gz WNVSMPPWWVYMGT-JLLWLGSASA-N 1 1 194.322 1.598 10 0 ADAEMO C[C@@H]1CC[C@@]12[C@H](N)CC[N@H+]2CC1CC1 712025281 572240067 /nfs/dbraw/zinc/24/00/67/572240067.db2.gz WNVSMPPWWVYMGT-JLLWLGSASA-N 1 1 194.322 1.598 10 0 ADAEMO 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BRLIDMJCCBLEKB-UHFFFAOYSA-N 1 1 180.242 1.231 10 0 ADAEMO C[C@@H]([NH3+])CNc1ccc2nc[nH]c2c1 258715157 573506189 /nfs/dbraw/zinc/50/61/89/573506189.db2.gz IHXWEWNLHBANHW-SSDOTTSWSA-N 1 1 190.250 1.322 10 0 ADAEMO CC[C@@H](F)C[N@H+]1CC[C@@](O)(CC)C1 308396123 573506190 /nfs/dbraw/zinc/50/61/90/573506190.db2.gz DFADJZAKVGNBKD-ZJUUUORDSA-N 1 1 189.274 1.581 10 0 ADAEMO Cc1ccc([C@@H]([NH3+])C2(N)CC2)c(C)c1 259479163 573506237 /nfs/dbraw/zinc/50/62/37/573506237.db2.gz PPYXZLLZLQWYAN-LLVKDONJSA-N 1 1 190.290 1.795 10 0 ADAEMO CC(C)[C@H]1CCC[N@@H+](C)C[C@@H]1[NH3+] 76598341 572379609 /nfs/dbraw/zinc/37/96/09/572379609.db2.gz JWBZMQGEKMSRIC-ZJUUUORDSA-N 1 1 170.300 1.312 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)[C@H](C)C(C)(C)C 308000809 572379627 /nfs/dbraw/zinc/37/96/27/572379627.db2.gz HGNJCKCBAGCWGF-DTWKUNHWSA-N 1 1 173.300 1.734 10 0 ADAEMO COC1(OC)CC[N@H+]2CCC[C@@H]2C1 206008415 573506441 /nfs/dbraw/zinc/50/64/41/573506441.db2.gz GBUNBYLZWXVSQH-SECBINFHSA-N 1 1 185.267 1.234 10 0 ADAEMO 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1.500 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1cc(N)cnn1 259485485 573523536 /nfs/dbraw/zinc/52/35/36/573523536.db2.gz PJULKUQOKKJCEG-SNVBAGLBSA-N 1 1 192.266 1.216 10 0 ADAEMO CC(C)[C@@H](CO)[N@@H+](C)CC(C)(C)C 258756702 573530491 /nfs/dbraw/zinc/53/04/91/573530491.db2.gz GXDIAODIMYSEDA-SNVBAGLBSA-N 1 1 187.327 1.981 10 0 ADAEMO CN[C@H](C[NH2+]C1CC1)CC(C)C 259488150 573530555 /nfs/dbraw/zinc/53/05/55/573530555.db2.gz RDWGGNQBWUBVJO-JTQLQIEISA-N 1 1 170.300 1.373 10 0 ADAEMO C[N@H+]1CCC[C@H]1COc1cnoc1 258406342 573530626 /nfs/dbraw/zinc/53/06/26/573530626.db2.gz IPYFSVJQGFDDFL-QMMMGPOBSA-N 1 1 182.223 1.148 10 0 ADAEMO C1CC(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 299892752 572663100 /nfs/dbraw/zinc/66/31/00/572663100.db2.gz CUWQUMIOVIRUEK-NEPJUHHUSA-N 1 1 194.322 1.470 10 0 ADAEMO C1CC(CN2C[C@H]3CCC[NH2+][C@H]3C2)C1 299892752 572663103 /nfs/dbraw/zinc/66/31/03/572663103.db2.gz CUWQUMIOVIRUEK-NEPJUHHUSA-N 1 1 194.322 1.470 10 0 ADAEMO CCCC[N@@H+](C)CC1COC1 307860393 572663348 /nfs/dbraw/zinc/66/33/48/572663348.db2.gz GNXVDWFEEBROTF-UHFFFAOYSA-N 1 1 157.257 1.365 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(N(C)C2CCC2)o1 235189515 572663351 /nfs/dbraw/zinc/66/33/51/572663351.db2.gz QCRDNVWYXABTIT-ZCFIWIBFSA-N 1 1 196.254 1.078 10 0 ADAEMO CC[NH2+]Cc1nnc(OCC)s1 87698821 572678087 /nfs/dbraw/zinc/67/80/87/572678087.db2.gz HUKWQOQQXNHZDH-UHFFFAOYSA-N 1 1 187.268 1.046 10 0 ADAEMO C[N@H+]1CCCC[C@H]1C1(C[NH3+])CC1 107331421 573531380 /nfs/dbraw/zinc/53/13/80/573531380.db2.gz KHFDHEQCHZJFMV-VIFPVBQESA-N 1 1 168.284 1.210 10 0 ADAEMO C[C@@H]([NH3+])c1nc([C@@H]2CCC[N@H+]2C)c[nH]1 258058498 573531382 /nfs/dbraw/zinc/53/13/82/573531382.db2.gz KNPAHWMWJCVDIX-APPZFPTMSA-N 1 1 194.282 1.196 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1C1(CN)CC1 107331421 573531386 /nfs/dbraw/zinc/53/13/86/573531386.db2.gz KHFDHEQCHZJFMV-VIFPVBQESA-N 1 1 168.284 1.210 10 0 ADAEMO C[N@H+]1CCCC[C@H]1C1(CN)CC1 107331421 573531391 /nfs/dbraw/zinc/53/13/91/573531391.db2.gz KHFDHEQCHZJFMV-VIFPVBQESA-N 1 1 168.284 1.210 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CC(C)[N@H+]1CCC[C@H]1[C@@H]1N[C@H](C)CO1 258761372 573535795 /nfs/dbraw/zinc/53/57/95/573535795.db2.gz WSPKHQFBHDDZBI-OUAUKWLOSA-N 1 1 198.310 1.194 10 0 ADAEMO FC1(F)C[NH2+]CC[C@@H]1C1CC1 257828843 573535392 /nfs/dbraw/zinc/53/53/92/573535392.db2.gz IPSBACVLYHOZQK-SSDOTTSWSA-N 1 1 161.195 1.641 10 0 ADAEMO CSc1c[nH+]c(N)cc1C 238433936 573535418 /nfs/dbraw/zinc/53/54/18/573535418.db2.gz CZEVZKYFUKPFLQ-UHFFFAOYSA-N 1 1 154.238 1.694 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1CONC 258053273 573535473 /nfs/dbraw/zinc/53/54/73/573535473.db2.gz USBVPVAZVBMPGY-VIFPVBQESA-N 1 1 172.272 1.012 10 0 ADAEMO CN[C@H](CC[NH3+])c1cccc(F)c1 259494412 573535560 /nfs/dbraw/zinc/53/55/60/573535560.db2.gz QMIQFKZCCJLMEU-SNVBAGLBSA-N 1 1 182.242 1.435 10 0 ADAEMO c1cn2c(n1)C[N@@H+](C1CCC1)CC2 306282115 573535613 /nfs/dbraw/zinc/53/56/13/573535613.db2.gz YLGJPTKCCJJGJY-UHFFFAOYSA-N 1 1 177.251 1.251 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1CONC 258053271 573535654 /nfs/dbraw/zinc/53/56/54/573535654.db2.gz 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CC(=O)[C@H]1CC[C@H](C)C[N@@H+]1C 238434326 573536356 /nfs/dbraw/zinc/53/63/56/573536356.db2.gz DRKPCMDTOPVHBN-IONNQARKSA-N 1 1 155.241 1.306 10 0 ADAEMO Cc1cc([C@@H](O)[NH+](C)C)ccc1F 259494151 573536365 /nfs/dbraw/zinc/53/63/65/573536365.db2.gz LJMFAJLPWXTHSK-SNVBAGLBSA-N 1 1 183.226 1.687 10 0 ADAEMO C[NH2+]Cc1nc([C@@H]2CCSC2)no1 258054109 573536399 /nfs/dbraw/zinc/53/63/99/573536399.db2.gz PGMCHXYOLPPQNF-ZCFIWIBFSA-N 1 1 199.279 1.010 10 0 ADAEMO OC[C@@H]1CCC[N@H+](C2CCC2)CC1 306283911 573536482 /nfs/dbraw/zinc/53/64/82/573536482.db2.gz BBEPICBJTUXDTJ-SNVBAGLBSA-N 1 1 183.295 1.633 10 0 ADAEMO CCCc1[nH]c(CCCO)[nH+]c1C 258761490 573536522 /nfs/dbraw/zinc/53/65/22/573536522.db2.gz SJRUEQWVCYMYPB-UHFFFAOYSA-N 1 1 182.267 1.596 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H](CCON)C1 258052966 573536552 /nfs/dbraw/zinc/53/65/52/573536552.db2.gz UOPXNLJGBHRPNV-JTQLQIEISA-N 1 1 186.299 1.387 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@H](CC(=O)C(C)(C)C)N1 238431332 573536569 /nfs/dbraw/zinc/53/65/69/573536569.db2.gz SKVNMXZWEHFWRK-PSASIEDQSA-N 1 1 198.310 1.289 10 0 ADAEMO CCC[C@H](C)[N@@H+](C)Cc1cnc(N)o1 308614599 573536618 /nfs/dbraw/zinc/53/66/18/573536618.db2.gz PGLJOWZFEKSAJJ-QMMMGPOBSA-N 1 1 197.282 1.877 10 0 ADAEMO OC/C=C/C[NH2+]C/C(Cl)=C\Cl 717467635 573536662 /nfs/dbraw/zinc/53/66/62/573536662.db2.gz QKEKRXRQTJMOIO-SMMBBOSVSA-N 1 1 196.077 1.444 10 0 ADAEMO C[NH2+][C@H](C(C)C)C1(CN)CCC1 259494997 573536692 /nfs/dbraw/zinc/53/66/92/573536692.db2.gz RPHVCYLXWRJAIW-SECBINFHSA-N 1 1 170.300 1.359 10 0 ADAEMO CC1CCC(OC(=O)[C@H](C)[NH3+])CC1 95500825 573541521 /nfs/dbraw/zinc/54/15/21/573541521.db2.gz NCCWOZDXJKLBIX-MGURRDGZSA-N 1 1 185.267 1.456 10 0 ADAEMO C[N@@H+]1CCc2ccccc2C[C@H]1CN 107352042 573541620 /nfs/dbraw/zinc/54/16/20/573541620.db2.gz ZFEAITFDKLXGQV-LBPRGKRZSA-N 1 1 190.290 1.044 10 0 ADAEMO C/C=C\CC[NH2+]C1(C[NH3+])CC1 307904798 572749809 /nfs/dbraw/zinc/74/98/09/572749809.db2.gz ZMJPHGHZHLOGDN-IHWYPQMZSA-N 1 1 154.257 1.034 10 0 ADAEMO 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259313412 573030035 /nfs/dbraw/zinc/03/00/35/573030035.db2.gz QLTHTEFBRGNUDW-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCCN1CC[NH2+]C(C)(C)CC1 259313412 573030039 /nfs/dbraw/zinc/03/00/39/573030039.db2.gz QLTHTEFBRGNUDW-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CC(C)C[NH2+]C[C@H](C)[C@H](C)N1CCC1 308479187 573030066 /nfs/dbraw/zinc/03/00/66/573030066.db2.gz GACOHKFSKFHUQN-RYUDHWBXSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)C[NH2+]C[C@@H](C)[C@H](C)N1CCC1 308479183 573030168 /nfs/dbraw/zinc/03/01/68/573030168.db2.gz GACOHKFSKFHUQN-NEPJUHHUSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)C[NH2+]C[C@@H](C)[C@@H](C)N1CCC1 308479189 573030229 /nfs/dbraw/zinc/03/02/29/573030229.db2.gz GACOHKFSKFHUQN-VXGBXAGGSA-N 1 1 198.354 1.962 10 0 ADAEMO Cc1ccc[nH+]c1NC[C@H](O)C1CC1 82425174 573030368 /nfs/dbraw/zinc/03/03/68/573030368.db2.gz IOBKDCOHSQBHRT-JTQLQIEISA-N 1 1 192.262 1.573 10 0 ADAEMO CN1Cc2cccc(C[NH3+])c2C1 82404764 573030408 /nfs/dbraw/zinc/03/04/08/573030408.db2.gz GUZHJSXEYLBILL-UHFFFAOYSA-N 1 1 162.236 1.091 10 0 ADAEMO CC[C@@](C)(C[NH3+])c1nc(C2CC2)n[nH]1 128437763 573035275 /nfs/dbraw/zinc/03/52/75/573035275.db2.gz CSIBEBZXQXEAFM-JTQLQIEISA-N 1 1 194.282 1.309 10 0 ADAEMO CCc1cc(F)ccc1[C@@H]([NH3+])CN 104581607 573035292 /nfs/dbraw/zinc/03/52/92/573035292.db2.gz OBPKZKUFFWMUGN-JTQLQIEISA-N 1 1 182.242 1.347 10 0 ADAEMO C[N@H+]1CC[C@H](C2(O)CCCC2)C1 257925516 573037855 /nfs/dbraw/zinc/03/78/55/573037855.db2.gz GRUHYPHMHYFIIC-VIFPVBQESA-N 1 1 169.268 1.243 10 0 ADAEMO [NH3+][C@H]1O[C@H]1c1ccccc1 104595487 573051815 /nfs/dbraw/zinc/05/18/15/573051815.db2.gz DXSFQMIDJCBXKO-YUMQZZPRSA-N 1 1 135.166 1.043 10 0 ADAEMO Cc1ccc2c([nH+]1)N1CCC[C@H]1CN2 88036993 573051884 /nfs/dbraw/zinc/05/18/84/573051884.db2.gz DKDCQFDZQJTMHG-VIFPVBQESA-N 1 1 189.262 1.784 10 0 ADAEMO CCP(C)C1=CC[NH2+]CC1 238261922 573050859 /nfs/dbraw/zinc/05/08/59/573050859.db2.gz MQQVBSGQUYKNCH-UHFFFAOYSA-N 1 1 157.197 1.995 10 0 ADAEMO Cc1ccc2c([nH+]1)N(C)[C@H](C)CN2 88037042 573050932 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186.274 1.030 10 0 ADAEMO CC1(C)C([NH2+]CC2(N)CCC2)C1(C)C 88052310 573057910 /nfs/dbraw/zinc/05/79/10/573057910.db2.gz ZFSPLLPQOYXSOB-UHFFFAOYSA-N 1 1 196.338 1.892 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2(N)CCC2)[C@H](C)C1 88052097 573058005 /nfs/dbraw/zinc/05/80/05/573058005.db2.gz MYWCAVBQYQDJQG-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CCCC[N@H+]1CC1(N)CCC1 88051625 573058029 /nfs/dbraw/zinc/05/80/29/573058029.db2.gz WVKBCXHYNUAXJY-JTQLQIEISA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@H]1CCCCN1CC1([NH3+])CCC1 88051625 573058032 /nfs/dbraw/zinc/05/80/32/573058032.db2.gz WVKBCXHYNUAXJY-JTQLQIEISA-N 1 1 182.311 1.742 10 0 ADAEMO CN1CCC[C@@]2(CC[NH2+][C@H]2CF)C1 257938696 573058095 /nfs/dbraw/zinc/05/80/95/573058095.db2.gz URBRSXHOMNDPNQ-VHSXEESVSA-N 1 1 186.274 1.030 10 0 ADAEMO CCCC[N@@H+](C)[C@@H]1CN(C)C[C@H]1C 308240121 573058149 /nfs/dbraw/zinc/05/81/49/573058149.db2.gz SJYYFWWZOVUNCB-GHMZBOCLSA-N 1 1 184.327 1.668 10 0 ADAEMO CCC[N@H+]1C[C@@H](CO)CC1(C)C 259320799 573058184 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IBIVEFGXGIELPJ-JTQLQIEISA-N 1 1 182.311 1.742 10 0 ADAEMO CCCC[N@@H+](C)C[C@H](CC)CO 258577622 573195981 /nfs/dbraw/zinc/19/59/81/573195981.db2.gz DSMFMRSUPQXBCP-JTQLQIEISA-N 1 1 173.300 1.737 10 0 ADAEMO C[C@@H]1CNCC[N@H+](C2(C)CCCC2)C1 82785667 573196010 /nfs/dbraw/zinc/19/60/10/573196010.db2.gz GBTGZMQTVJXLNW-LLVKDONJSA-N 1 1 196.338 1.860 10 0 ADAEMO [NH3+]Cc1nc(C(F)(F)F)co1 225835199 573196075 /nfs/dbraw/zinc/19/60/75/573196075.db2.gz LWYQHCFMXNBKPG-UHFFFAOYSA-N 1 1 166.102 1.152 10 0 ADAEMO [NH2+]=C1CCC(c2cccc(F)c2)=NN1 82786739 573196149 /nfs/dbraw/zinc/19/61/49/573196149.db2.gz IOIFZHAIKYTUSR-UHFFFAOYSA-N 1 1 191.209 1.681 10 0 ADAEMO Cc1[nH+]ccn1[C@@H](C)C[C@@H](C)O 82815301 573211644 /nfs/dbraw/zinc/21/16/44/573211644.db2.gz NRPGATKBOIHTHZ-JGVFFNPUSA-N 1 1 168.240 1.523 10 0 ADAEMO CN[C@H](CC[NH2+]C)c1ccc(F)cc1 259603585 573211728 /nfs/dbraw/zinc/21/17/28/573211728.db2.gz XDFZYKVTDWTGRZ-LLVKDONJSA-N 1 1 196.269 1.696 10 0 ADAEMO C[C@H](O)C[C@@H](C)[N@@H+](C)C1CC1 82814847 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JTZDKCYMVSUOOQ-UCJPQBOSSA-N 1 1 180.295 1.232 10 0 ADAEMO C[NH2+][C@@H](c1cccnc1)C(C)(C)N 259398592 573258950 /nfs/dbraw/zinc/25/89/50/573258950.db2.gz LRVJFZHPAQJNII-VIFPVBQESA-N 1 1 179.267 1.079 10 0 ADAEMO C[N@@H+]1CC[C@H]([C@@]2(C)NCC(C)(C)O2)C1 258260319 573259069 /nfs/dbraw/zinc/25/90/69/573259069.db2.gz AVFDFJFKAMFLTK-ONGXEEELSA-N 1 1 198.310 1.053 10 0 ADAEMO C[N@H+]1CC[C@H]([C@@]2(C)NCC(C)(C)O2)C1 258260319 573259077 /nfs/dbraw/zinc/25/90/77/573259077.db2.gz AVFDFJFKAMFLTK-ONGXEEELSA-N 1 1 198.310 1.053 10 0 ADAEMO CN1CC[C@H]([C@@]2(C)[NH2+]CC(C)(C)O2)C1 258260319 573259084 /nfs/dbraw/zinc/25/90/84/573259084.db2.gz AVFDFJFKAMFLTK-ONGXEEELSA-N 1 1 198.310 1.053 10 0 ADAEMO C/C=C\C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 308329708 573259118 /nfs/dbraw/zinc/25/91/18/573259118.db2.gz JTZDKCYMVSUOOQ-QFSQTOQRSA-N 1 1 180.295 1.232 10 0 ADAEMO CC(C)[N@H+]1CC[C@H]([C@@H]2NC[C@@H](C)O2)C1 258613961 573259174 /nfs/dbraw/zinc/25/91/74/573259174.db2.gz QYLJIVAIQNKAIF-OUAUKWLOSA-N 1 1 198.310 1.051 10 0 ADAEMO NCC(F)(F)C[NH2+]CCC1CCC1 308332234 573263107 /nfs/dbraw/zinc/26/31/07/573263107.db2.gz LMHNFORRSALNNM-UHFFFAOYSA-N 1 1 192.253 1.360 10 0 ADAEMO [NH3+]CC(F)(F)CNCCC1CCC1 308332234 573263112 /nfs/dbraw/zinc/26/31/12/573263112.db2.gz LMHNFORRSALNNM-UHFFFAOYSA-N 1 1 192.253 1.360 10 0 ADAEMO COC(=O)[C@H]1CC(C)(C)CCC[NH2+]1 257983076 573263142 /nfs/dbraw/zinc/26/31/42/573263142.db2.gz ZWWQXXKSMDBYFE-MRVPVSSYSA-N 1 1 185.267 1.328 10 0 ADAEMO CCCC(=O)C[N@H+]1CCC[C@H]1C 50184173 573263159 /nfs/dbraw/zinc/26/31/59/573263159.db2.gz OGMLLRZXRDPTLH-SECBINFHSA-N 1 1 169.268 1.840 10 0 ADAEMO C[C@H](CC[NH3+])c1nc2ccncc2[nH]1 82886166 573262542 /nfs/dbraw/zinc/26/25/42/573262542.db2.gz JHOSEVFGNXYJLK-SSDOTTSWSA-N 1 1 190.250 1.410 10 0 ADAEMO C[C@H](CC[NH3+])c1nc2cnccc2[nH]1 82886166 573262548 /nfs/dbraw/zinc/26/25/48/573262548.db2.gz JHOSEVFGNXYJLK-SSDOTTSWSA-N 1 1 190.250 1.410 10 0 ADAEMO CCCC[C@@H](C)[N@H+]1CC[C@H](N)C1 50888999 573262704 /nfs/dbraw/zinc/26/27/04/573262704.db2.gz MLQNCQUPYZSLBV-ZJUUUORDSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[N@@H+](CCN)CC1(C)CCC1 308332577 573262750 /nfs/dbraw/zinc/26/27/50/573262750.db2.gz LPEUUHHZZZOSHC-UHFFFAOYSA-N 1 1 184.327 1.847 10 0 ADAEMO CCCN(CC[NH3+])CC1(C)CCC1 308332577 573262755 /nfs/dbraw/zinc/26/27/55/573262755.db2.gz LPEUUHHZZZOSHC-UHFFFAOYSA-N 1 1 184.327 1.847 10 0 ADAEMO CNc1cc(C)c(N=O)c(NC)[nH+]1 238326737 573262829 /nfs/dbraw/zinc/26/28/29/573262829.db2.gz UWASVBXUPQRPAT-UHFFFAOYSA-N 1 1 180.211 1.871 10 0 ADAEMO CN1[NH+]=C(N)S[C@@H]1c1ccccc1 238326369 573262837 /nfs/dbraw/zinc/26/28/37/573262837.db2.gz PJXMFOFLLYIBLW-MRVPVSSYSA-N 1 1 193.275 1.594 10 0 ADAEMO CNC(=O)[C@H]1CC(C)(C)[N@@H+](C)C1(C)C 238327011 573262851 /nfs/dbraw/zinc/26/28/51/573262851.db2.gz WJUIUOCUHPMXMH-MRVPVSSYSA-N 1 1 198.310 1.241 10 0 ADAEMO C[C@@H](CO)C[N@@H+](C)[C@H](C)C1CCC1 308332545 573262852 /nfs/dbraw/zinc/26/28/52/573262852.db2.gz LNGFJSKEJCREAV-NXEZZACHSA-N 1 1 185.311 1.735 10 0 ADAEMO CCC[C@H](C1CC1)[N@H+]1CCN[C@H](C)C1 308531206 573262875 /nfs/dbraw/zinc/26/28/75/573262875.db2.gz KFBXSXYTWLUCNQ-ZYHUDNBSSA-N 1 1 196.338 1.859 10 0 ADAEMO COc1ccc2cc(N)[nH+]cc2c1 116326522 573262904 /nfs/dbraw/zinc/26/29/04/573262904.db2.gz HOGNMHYGXADKCF-UHFFFAOYSA-N 1 1 174.203 1.826 10 0 ADAEMO C[C@@H](C1CCC1)[N@H+](C)C[C@@H](C)CO 308332548 573262935 /nfs/dbraw/zinc/26/29/35/573262935.db2.gz LNGFJSKEJCREAV-ZJUUUORDSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@@H](C[N@@H+](C)CC)C(=O)OC 259057495 573262936 /nfs/dbraw/zinc/26/29/36/573262936.db2.gz SNTSFCJKQHXJBL-QMMMGPOBSA-N 1 1 173.256 1.137 10 0 ADAEMO CCC[C@@H](C1CC1)[N@H+]1CCN[C@@H](C)C1 308531204 573262953 /nfs/dbraw/zinc/26/29/53/573262953.db2.gz KFBXSXYTWLUCNQ-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCC(=O)C[N@@H+](C)C(C)C 50184103 573263000 /nfs/dbraw/zinc/26/30/00/573263000.db2.gz TVSGFHBOIJZFLV-UHFFFAOYSA-N 1 1 157.257 1.696 10 0 ADAEMO C[N@@H+](CO)C1C2CC3CC(C2)CC1C3 238326650 573263005 /nfs/dbraw/zinc/26/30/05/573263005.db2.gz DNNKNGHZCRHPHQ-UHFFFAOYSA-N 1 1 195.306 1.693 10 0 ADAEMO CCCC[C@@H](C)[N@@H+]1CCC(=O)C1 50888969 573263059 /nfs/dbraw/zinc/26/30/59/573263059.db2.gz WBDOXIPPFXKEPF-SECBINFHSA-N 1 1 169.268 1.840 10 0 ADAEMO CCCC[C@@H](C)[N@H+]1CCC(=O)C1 50888969 573263064 /nfs/dbraw/zinc/26/30/64/573263064.db2.gz WBDOXIPPFXKEPF-SECBINFHSA-N 1 1 169.268 1.840 10 0 ADAEMO Cc1nc([C@@H]2C[NH2+]CCC2=O)cs1 74241435 573277355 /nfs/dbraw/zinc/27/73/55/573277355.db2.gz WHLXPOAYCFSYHM-ZETCQYMHSA-N 1 1 196.275 1.098 10 0 ADAEMO C[NH2+]CC(=O)c1cc(C)c(O)cc1F 257991332 573277384 /nfs/dbraw/zinc/27/73/84/573277384.db2.gz FOJQFQZWIAZIOC-UHFFFAOYSA-N 1 1 197.209 1.242 10 0 ADAEMO CC(=O)c1ccc(C[NH+](C)C)cn1 238331112 573277386 /nfs/dbraw/zinc/27/73/86/573277386.db2.gz HLAVXHKKGBHYPR-UHFFFAOYSA-N 1 1 178.235 1.346 10 0 ADAEMO CCC[N@@H+]1C[C@@H](NC)CCC1(C)C 259399815 573277423 /nfs/dbraw/zinc/27/74/23/573277423.db2.gz MDMKZGHQWZYQSQ-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@H+]1C[C@@H](NC)CCC1(C)C 259399815 573277430 /nfs/dbraw/zinc/27/74/30/573277430.db2.gz MDMKZGHQWZYQSQ-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO C[NH2+][C@H](C)c1cc(F)c(O)c(F)c1 238331374 573277608 /nfs/dbraw/zinc/27/76/08/573277608.db2.gz PQELSUBMMWXFGD-RXMQYKEDSA-N 1 1 187.189 1.951 10 0 ADAEMO CCc1n[nH]c([C@@H]2CCCC[C@H]2[NH3+])n1 82919152 573277641 /nfs/dbraw/zinc/27/76/41/573277641.db2.gz IKYSKQLIDSLXCL-HTQZYQBOSA-N 1 1 194.282 1.352 10 0 ADAEMO CCc1nc([C@@H]2CCCC[C@H]2[NH3+])n[nH]1 82919152 573277647 /nfs/dbraw/zinc/27/76/47/573277647.db2.gz IKYSKQLIDSLXCL-HTQZYQBOSA-N 1 1 194.282 1.352 10 0 ADAEMO CCCC(=O)C[N@H+]1CC[C@](C)(OC)C1 308536534 573277648 /nfs/dbraw/zinc/27/76/48/573277648.db2.gz RZSDXHUPMJNDGM-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO CC[C@@](C)(C(C)=O)[N@H+]1CC[C@@H](OC)C1 308537373 573277764 /nfs/dbraw/zinc/27/77/64/573277764.db2.gz LSFOWCKTKAVODH-MNOVXSKESA-N 1 1 199.294 1.465 10 0 ADAEMO Cc1scnc1[C@@H]1C[N@H+](C)CCN1 74238890 573277771 /nfs/dbraw/zinc/27/77/71/573277771.db2.gz ORKGZBYJWQAPLA-QMMMGPOBSA-N 1 1 197.307 1.028 10 0 ADAEMO Cc1scnc1[C@@H]1C[N@@H+](C)CCN1 74238890 573277776 /nfs/dbraw/zinc/27/77/76/573277776.db2.gz ORKGZBYJWQAPLA-QMMMGPOBSA-N 1 1 197.307 1.028 10 0 ADAEMO Cc1cc[nH+]c2c1NC(=O)CCN2 86160588 573277799 /nfs/dbraw/zinc/27/77/99/573277799.db2.gz RYADQYSQLPWAEB-UHFFFAOYSA-N 1 1 177.207 1.144 10 0 ADAEMO Cc1scnc1[C@H]1C[NH2+]CCC1=O 74241432 573277923 /nfs/dbraw/zinc/27/79/23/573277923.db2.gz JUMJHNHJZKVHLZ-ZETCQYMHSA-N 1 1 196.275 1.098 10 0 ADAEMO CCc1[nH+]c(C)cc(C)c1CO 238330454 573277964 /nfs/dbraw/zinc/27/79/64/573277964.db2.gz SJQPEIZCDMHXBL-UHFFFAOYSA-N 1 1 165.236 1.753 10 0 ADAEMO CCOC(=O)C(C)(C)[NH2+]C(C)(C)C 259065958 573277990 /nfs/dbraw/zinc/27/79/90/573277990.db2.gz WXIXHVJISCLKGZ-UHFFFAOYSA-N 1 1 187.283 1.716 10 0 ADAEMO CCC[N@H+]1CCNC[C@@H]1C1CC1 82927066 573290160 /nfs/dbraw/zinc/29/01/60/573290160.db2.gz WQCRIEPOLXSOJN-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CCCN1CC[NH2+]C[C@@H]1C1CC1 82927066 573290163 /nfs/dbraw/zinc/29/01/63/573290163.db2.gz WQCRIEPOLXSOJN-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CC(C)C[N@H+]1CCN[C@H](C(C)C)C1 82925314 573290187 /nfs/dbraw/zinc/29/01/87/573290187.db2.gz UIXKYMRSKALIMX-NSHDSACASA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)CN1CC[NH2+][C@H](C(C)C)C1 82925314 573290190 /nfs/dbraw/zinc/29/01/90/573290190.db2.gz UIXKYMRSKALIMX-NSHDSACASA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](CC2CC2)[C@H](C)CN1 82926492 573290199 /nfs/dbraw/zinc/29/01/99/573290199.db2.gz UFDCXNWECDVFRY-PWSUYJOCSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@@H]1CN(CC2CC2)[C@H](C)C[NH2+]1 82926492 573290204 /nfs/dbraw/zinc/29/02/04/573290204.db2.gz UFDCXNWECDVFRY-PWSUYJOCSA-N 1 1 196.338 1.715 10 0 ADAEMO CCC[C@@H]1C[N@H+](CCC)CCN1 82925260 573290214 /nfs/dbraw/zinc/29/02/14/573290214.db2.gz QMZJURKVXCIITF-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO CCC[C@@H]1C[N@@H+](CCC)CCN1 82925260 573290218 /nfs/dbraw/zinc/29/02/18/573290218.db2.gz QMZJURKVXCIITF-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO CN[C@@H](c1ccc[nH]1)[C@H]1CCC[NH2+]C1 259406112 573290243 /nfs/dbraw/zinc/29/02/43/573290243.db2.gz MXDLDDIQUJRPEN-GXSJLCMTSA-N 1 1 193.294 1.275 10 0 ADAEMO CCC[N@H+]1CCN[C@@H](C(C)(C)C)C1 82925628 573289614 /nfs/dbraw/zinc/28/96/14/573289614.db2.gz GKVGYLYGCYYBRR-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO CCCN1CC[NH2+][C@@H](C(C)(C)C)C1 82925628 573289619 /nfs/dbraw/zinc/28/96/19/573289619.db2.gz GKVGYLYGCYYBRR-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@@H](O)c1coc([C@@H]2CCC[N@@H+]2C)n1 257994397 573289720 /nfs/dbraw/zinc/28/97/20/573289720.db2.gz IFYAMAZCVDYGDY-APPZFPTMSA-N 1 1 196.250 1.495 10 0 ADAEMO C[C@@H](O)c1coc([C@@H]2CCC[N@H+]2C)n1 257994397 573289724 /nfs/dbraw/zinc/28/97/24/573289724.db2.gz IFYAMAZCVDYGDY-APPZFPTMSA-N 1 1 196.250 1.495 10 0 ADAEMO CC[C@H]1CN[C@@H](C(C)C)C[N@H+]1CC 82926632 573289787 /nfs/dbraw/zinc/28/97/87/573289787.db2.gz GYAQZEFMAKTKJV-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CC 82926632 573289790 /nfs/dbraw/zinc/28/97/90/573289790.db2.gz GYAQZEFMAKTKJV-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)Cc1nc2c([nH]1)CC[C@@H]([NH3+])C2 74247472 573289799 /nfs/dbraw/zinc/28/97/99/573289799.db2.gz ACTJKBPGIMJWPT-MRVPVSSYSA-N 1 1 193.294 1.424 10 0 ADAEMO CCC[N@H+]1CCN[C@H](C2CC2)C1 82925478 573289804 /nfs/dbraw/zinc/28/98/04/573289804.db2.gz LUMNUBCBFGNENR-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO CCCN1CC[NH2+][C@H](C2CC2)C1 82925478 573289810 /nfs/dbraw/zinc/28/98/10/573289810.db2.gz LUMNUBCBFGNENR-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO CC(C)[N@H+]1CCNC2(CCCC2)C1 82926084 573289856 /nfs/dbraw/zinc/28/98/56/573289856.db2.gz QBYBNTCMXULBJW-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@H](O)c1coc([C@H]2CCC[N@@H+]2C)n1 257994403 573289859 /nfs/dbraw/zinc/28/98/59/573289859.db2.gz IFYAMAZCVDYGDY-IONNQARKSA-N 1 1 196.250 1.495 10 0 ADAEMO CC(C)N1CC[NH2+]C2(CCCC2)C1 82926084 573289863 /nfs/dbraw/zinc/28/98/63/573289863.db2.gz QBYBNTCMXULBJW-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@H](O)c1coc([C@H]2CCC[N@H+]2C)n1 257994403 573289866 /nfs/dbraw/zinc/28/98/66/573289866.db2.gz IFYAMAZCVDYGDY-IONNQARKSA-N 1 1 196.250 1.495 10 0 ADAEMO CCC[C@]1(CN2CCC2)CCC[NH2+]C1 308541433 573289889 /nfs/dbraw/zinc/28/98/89/573289889.db2.gz OBXKNMAQANZMHH-LBPRGKRZSA-N 1 1 196.338 1.862 10 0 ADAEMO C[C@H]1CCc2[nH]nc(CCC[NH3+])c2C1 74247505 573289922 /nfs/dbraw/zinc/28/99/22/573289922.db2.gz FRQLDWDKWPZLQY-QMMMGPOBSA-N 1 1 193.294 1.426 10 0 ADAEMO CCC[C@H](O)C[N@@H+](CC)CCOC 50193473 573289930 /nfs/dbraw/zinc/28/99/30/573289930.db2.gz BGMSDCUCSQJFQH-JTQLQIEISA-N 1 1 189.299 1.116 10 0 ADAEMO CCC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C 82926732 573290012 /nfs/dbraw/zinc/29/00/12/573290012.db2.gz CKUZLWZBISCGHI-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1C 82926732 573290015 /nfs/dbraw/zinc/29/00/15/573290015.db2.gz CKUZLWZBISCGHI-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[N@H+]1CCN[C@](C)(C2CC2)C1 82926270 573290024 /nfs/dbraw/zinc/29/00/24/573290024.db2.gz YJZUBKGATKRRCS-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CCCN1CC[NH2+][C@](C)(C2CC2)C1 82926270 573290028 /nfs/dbraw/zinc/29/00/28/573290028.db2.gz YJZUBKGATKRRCS-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO COc1nc([C@@H]2CC[N@@H+](C)C2)cs1 259405696 573290066 /nfs/dbraw/zinc/29/00/66/573290066.db2.gz VWCGRLOBDWWEHA-SSDOTTSWSA-N 1 1 198.291 1.571 10 0 ADAEMO CCCC[N@H+]1CCNC[C@@]1(C)C1CC1 82927461 573290073 /nfs/dbraw/zinc/29/00/73/573290073.db2.gz YXBQTJWNNYEENY-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)(C)C[N@H+]1CCNCC(C)(C)C1 258279565 573290111 /nfs/dbraw/zinc/29/01/11/573290111.db2.gz VEUOUBJTAIDRAF-UHFFFAOYSA-N 1 1 198.354 1.964 10 0 ADAEMO CC(C)(C)CN1CC[NH2+]CC(C)(C)C1 258279565 573290115 /nfs/dbraw/zinc/29/01/15/573290115.db2.gz VEUOUBJTAIDRAF-UHFFFAOYSA-N 1 1 198.354 1.964 10 0 ADAEMO CN1CCC[NH2+]C2(CCCCC2)C1 82941428 573312298 /nfs/dbraw/zinc/31/22/98/573312298.db2.gz ZHMZVPDBZXPYTN-UHFFFAOYSA-N 1 1 182.311 1.614 10 0 ADAEMO C[C@H]1CC[C@@]1(CN)[N@@H+](C)CC1CCC1 308546162 573312313 /nfs/dbraw/zinc/31/23/13/573312313.db2.gz PTVFIUBJQMRLPV-JQWIXIFHSA-N 1 1 196.338 1.846 10 0 ADAEMO CCC[N@H+]1CCCN[C@@](C)(CC)C1 82942132 573312363 /nfs/dbraw/zinc/31/23/63/573312363.db2.gz WFNYNVARGIDPHX-NSHDSACASA-N 1 1 184.327 1.860 10 0 ADAEMO CSCC[N@H+](CCN)C(C)C 129342255 573312455 /nfs/dbraw/zinc/31/24/55/573312455.db2.gz WRHZFOJIZISVCF-UHFFFAOYSA-N 1 1 176.329 1.019 10 0 ADAEMO CSCC[N@@H+](CCN)C(C)C 129342255 573312461 /nfs/dbraw/zinc/31/24/61/573312461.db2.gz WRHZFOJIZISVCF-UHFFFAOYSA-N 1 1 176.329 1.019 10 0 ADAEMO CC(C)[C@H]1C[N@@H+](C)[C@@H](C)CC[NH2+]1 82942311 573312488 /nfs/dbraw/zinc/31/24/88/573312488.db2.gz SCYOPZAWZONRQJ-VHSXEESVSA-N 1 1 170.300 1.325 10 0 ADAEMO CC(C)C[C@H]1C[N@@H+](C)[C@H](C)CC[NH2+]1 82942799 573311816 /nfs/dbraw/zinc/31/18/16/573311816.db2.gz FJQPHPWKQQQYBX-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[C@H]1CN(C)[C@H](C)CC[NH2+]1 82942799 573311822 /nfs/dbraw/zinc/31/18/22/573311822.db2.gz FJQPHPWKQQQYBX-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CSCC[N@H+](CCN)CC(C)C 129343906 573311830 /nfs/dbraw/zinc/31/18/30/573311830.db2.gz ZJRIIUYSABTFPK-UHFFFAOYSA-N 1 1 190.356 1.266 10 0 ADAEMO CSCC[N@@H+](CCN)CC(C)C 129343906 573311837 /nfs/dbraw/zinc/31/18/37/573311837.db2.gz ZJRIIUYSABTFPK-UHFFFAOYSA-N 1 1 190.356 1.266 10 0 ADAEMO CC(C)(C[NH3+])[C@@H](N)c1cccc(F)c1 259413667 573311856 /nfs/dbraw/zinc/31/18/56/573311856.db2.gz OPWWQQASTDDJGZ-JTQLQIEISA-N 1 1 196.269 1.810 10 0 ADAEMO C[C@H]1CCc2[nH]nc(CC[NH3+])c2C1 74304531 573311861 /nfs/dbraw/zinc/31/18/61/573311861.db2.gz ULRLOSUHWLVEFU-ZETCQYMHSA-N 1 1 179.267 1.036 10 0 ADAEMO C[C@H]([NH3+])c1nc2cc(F)ccc2o1 74304156 573311889 /nfs/dbraw/zinc/31/18/89/573311889.db2.gz XKSUHPVZRVVZRT-YFKPBYRVSA-N 1 1 180.182 1.987 10 0 ADAEMO CC(C)C[N@H+]1CCCCN[C@H](C)C1 259412476 573312000 /nfs/dbraw/zinc/31/20/00/573312000.db2.gz MZGFIRKPULMGIA-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO 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/nfs/dbraw/zinc/38/09/90/573380990.db2.gz VGCJATOHIWLNMJ-QJPTWQEYSA-N 1 1 196.338 1.859 10 0 ADAEMO C1CCC([N@@H+]2CCN[C@H](C3CC3)C2)C1 83059806 573381003 /nfs/dbraw/zinc/38/10/03/573381003.db2.gz RXZRIBGGJTXTJA-LBPRGKRZSA-N 1 1 194.322 1.613 10 0 ADAEMO C1CCC(N2CC[NH2+][C@H](C3CC3)C2)C1 83059806 573381009 /nfs/dbraw/zinc/38/10/09/573381009.db2.gz RXZRIBGGJTXTJA-LBPRGKRZSA-N 1 1 194.322 1.613 10 0 ADAEMO NC[C@H](C[NH2+]C1CC1)c1cccs1 258333301 573381050 /nfs/dbraw/zinc/38/10/50/573381050.db2.gz YSRKNQUTXMFYEK-MRVPVSSYSA-N 1 1 196.319 1.542 10 0 ADAEMO CNc1cccc2c1C[N@@H+](C)C2 259432772 573381115 /nfs/dbraw/zinc/38/11/15/573381115.db2.gz URJRIOVSLNNHNF-UHFFFAOYSA-N 1 1 162.236 1.674 10 0 ADAEMO CC[C@H](C)[N@H+]1CCN[C@H](C2CC2)C1 83059664 573381156 /nfs/dbraw/zinc/38/11/56/573381156.db2.gz DVVRONQOKBHICA-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H](C)N1CC[NH2+][C@H](C2CC2)C1 83059664 573381162 /nfs/dbraw/zinc/38/11/62/573381162.db2.gz DVVRONQOKBHICA-ONGXEEELSA-N 1 1 182.311 1.469 10 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/nfs/dbraw/zinc/38/25/20/573382520.db2.gz SQENIRBOJJYOGT-QMMMGPOBSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC(CC)[C@@H]1CC[N@@H+](CC[NH3+])C1 308378222 573381701 /nfs/dbraw/zinc/38/17/01/573381701.db2.gz TXFAGPNURBAPKF-LLVKDONJSA-N 1 1 184.327 1.703 10 0 ADAEMO CCC(CC)[C@@H]1CCN(CC[NH3+])C1 308378222 573381704 /nfs/dbraw/zinc/38/17/04/573381704.db2.gz TXFAGPNURBAPKF-LLVKDONJSA-N 1 1 184.327 1.703 10 0 ADAEMO CCC[C@H]1C[N@H+](C(C)(C)C)CCN1 83059366 573381706 /nfs/dbraw/zinc/38/17/06/573381706.db2.gz IIRZJFYLXNMIMJ-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@H]1CN(C(C)(C)C)CC[NH2+]1 83059366 573381713 /nfs/dbraw/zinc/38/17/13/573381713.db2.gz IIRZJFYLXNMIMJ-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@]1(C)C[N@@H+](CC2CCC2)CCN1 83060273 573381738 /nfs/dbraw/zinc/38/17/38/573381738.db2.gz PELIPRQVQTXNRD-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@]1(C)CN(CC2CCC2)CC[NH2+]1 83060273 573381743 /nfs/dbraw/zinc/38/17/43/573381743.db2.gz PELIPRQVQTXNRD-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@](C[NH3+])(C1CC1)N(C)C 83057098 573382580 /nfs/dbraw/zinc/38/25/80/573382580.db2.gz QUMAFLMFHUNGAG-SECBINFHSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H]([NH3+])c1ccn2cncc2c1 107159605 573381791 /nfs/dbraw/zinc/38/17/91/573381791.db2.gz DNLDJFKGWFZIST-SSDOTTSWSA-N 1 1 161.208 1.354 10 0 ADAEMO CC(C)(C)[N@H+]1CCN[C@H](C2CC2)C1 83059377 573381802 /nfs/dbraw/zinc/38/18/02/573381802.db2.gz VEUODWVROORRGW-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)(C)N1CC[NH2+][C@H](C2CC2)C1 83059377 573381810 /nfs/dbraw/zinc/38/18/10/573381810.db2.gz VEUODWVROORRGW-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H](C1CC1)N1CC[NH2+]CC1 83057909 573381856 /nfs/dbraw/zinc/38/18/56/573381856.db2.gz IBTMFNFYNCNKKX-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO C1CCC([N@@H+]2CCN[C@@H](C3CC3)C2)C1 83059808 573381907 /nfs/dbraw/zinc/38/19/07/573381907.db2.gz RXZRIBGGJTXTJA-GFCCVEGCSA-N 1 1 194.322 1.613 10 0 ADAEMO C1CCC(N2CC[NH2+][C@@H](C3CC3)C2)C1 83059808 573381913 /nfs/dbraw/zinc/38/19/13/573381913.db2.gz RXZRIBGGJTXTJA-GFCCVEGCSA-N 1 1 194.322 1.613 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCN[C@H](C2CC2)C1 83059661 573381929 /nfs/dbraw/zinc/38/19/29/573381929.db2.gz DVVRONQOKBHICA-KOLCDFICSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H](C)N1CC[NH2+][C@H](C2CC2)C1 83059661 573381937 /nfs/dbraw/zinc/38/19/37/573381937.db2.gz DVVRONQOKBHICA-KOLCDFICSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC(C)(C)[N@H+]1CCNC(C)(C)C1 83059877 573381954 /nfs/dbraw/zinc/38/19/54/573381954.db2.gz RJZHFMBTQGOVEI-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H]1C[N@@H+]([C@@H](C)CC)CCN1 83059640 573382027 /nfs/dbraw/zinc/38/20/27/573382027.db2.gz XMMYRAXFBFFKCS-UWVGGRQHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H]1CN([C@@H](C)CC)CC[NH2+]1 83059640 573382031 /nfs/dbraw/zinc/38/20/31/573382031.db2.gz XMMYRAXFBFFKCS-UWVGGRQHSA-N 1 1 170.300 1.469 10 0 ADAEMO C[N@@H+]1CCC(=O)[C@]1(C)C1CC1 107157891 573382118 /nfs/dbraw/zinc/38/21/18/573382118.db2.gz ZPMHSMGRUXNNTI-VIFPVBQESA-N 1 1 153.225 1.060 10 0 ADAEMO C[N@H+]1CCC(=O)[C@]1(C)C1CC1 107157891 573382123 /nfs/dbraw/zinc/38/21/23/573382123.db2.gz ZPMHSMGRUXNNTI-VIFPVBQESA-N 1 1 153.225 1.060 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@@]2(C)CCCC[NH2+]2)C1 258333787 573382165 /nfs/dbraw/zinc/38/21/65/573382165.db2.gz XFIKQXWGORPWQU-NWDGAFQWSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H]1C[N@H+](C(C)(C)CC)CCN1 83059873 573382186 /nfs/dbraw/zinc/38/21/86/573382186.db2.gz WIHMWGBWAMJGFE-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@H+]1CCN[C@@H](C)C1 83059862 573382196 /nfs/dbraw/zinc/38/21/96/573382196.db2.gz QJDKDUUNNAEWPL-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CC(C)C[C@H](C)[N@H+]1CCN[C@H](C)C1 83060393 573382293 /nfs/dbraw/zinc/38/22/93/573382293.db2.gz BTJZBFVUOFHOEM-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[C@H](C)N1CC[NH2+][C@H](C)C1 83060393 573382299 /nfs/dbraw/zinc/38/22/99/573382299.db2.gz BTJZBFVUOFHOEM-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](CN1C[C@H]2CCC[C@@H]2C1)[NH2+]C 126153685 573382312 /nfs/dbraw/zinc/38/23/12/573382312.db2.gz QGISOIVOPJMMMV-IJLUTSLNSA-N 1 1 196.338 1.716 10 0 ADAEMO COc1ccccc1[C@H]1[NH2+]CCN1C 238375529 573382361 /nfs/dbraw/zinc/38/23/61/573382361.db2.gz XOJVTUUEYXFHRJ-NSHDSACASA-N 1 1 192.262 1.229 10 0 ADAEMO CC[C@H](C1CC1)[N@H+]1C[C@H](C)N[C@H](C)C1 83058015 573382383 /nfs/dbraw/zinc/38/23/83/573382383.db2.gz HJDZFADDWDXFSN-JFGNBEQYSA-N 1 1 196.338 1.857 10 0 ADAEMO C[C@@H](C[NH2+]C[C@](C)(N)C1CC1)C1CC1 133183491 573382393 /nfs/dbraw/zinc/38/23/93/573382393.db2.gz HRBBCECUVLXKQQ-CABZTGNLSA-N 1 1 196.338 1.750 10 0 ADAEMO CCC(CC)[N@H+]1CCN[C@@H](C)C1 83059829 573382394 /nfs/dbraw/zinc/38/23/94/573382394.db2.gz PCFNDNMALPCNRX-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO C[C@H]1CCC[C@@H]([N@H+]2CCN[C@H](C)C2)C1 83060328 573382436 /nfs/dbraw/zinc/38/24/36/573382436.db2.gz HITIHVHGJSEZTQ-QJPTWQEYSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC2CCC2)CCN1 83060290 573382457 /nfs/dbraw/zinc/38/24/57/573382457.db2.gz UAUBPGVXCQXZRC-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@@H]1CN(CC2CCC2)CC[NH2+]1 83060290 573382463 /nfs/dbraw/zinc/38/24/63/573382463.db2.gz UAUBPGVXCQXZRC-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CCN[C@H](C(C)C)C1 83060199 573382479 /nfs/dbraw/zinc/38/24/79/573382479.db2.gz DVEZHKNXJGMRQA-RYUDHWBXSA-N 1 1 198.354 1.961 10 0 ADAEMO CC[C@H](C[NH2+]C)[C@@H](NC)c1ccc[nH]1 259432662 573383666 /nfs/dbraw/zinc/38/36/66/573383666.db2.gz ZDOHWFIMIKCGFF-MWLCHTKSSA-N 1 1 195.310 1.521 10 0 ADAEMO CC[C@@]1(C)C[N@@H+](C2CC2)CCN1 83059763 573383670 /nfs/dbraw/zinc/38/36/70/573383670.db2.gz WILOZGVHLMMECW-JTQLQIEISA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@@]1(C)C[N@H+](C2CC2)CCN1 83059763 573383671 /nfs/dbraw/zinc/38/36/71/573383671.db2.gz WILOZGVHLMMECW-JTQLQIEISA-N 1 1 168.284 1.223 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@]2(C)CCCC[NH2+]2)C1 258333789 573383768 /nfs/dbraw/zinc/38/37/68/573383768.db2.gz XFIKQXWGORPWQU-RYUDHWBXSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCN[C@H](C(C)C)C1 83059606 573382987 /nfs/dbraw/zinc/38/29/87/573382987.db2.gz AKHVXYLCIQHHIB-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H](C)N1CC[NH2+][C@H](C(C)C)C1 83059606 573382993 /nfs/dbraw/zinc/38/29/93/573382993.db2.gz AKHVXYLCIQHHIB-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO C1CCC2(C1)C[N@H+](C1CC1)CCN2 83059748 573383042 /nfs/dbraw/zinc/38/30/42/573383042.db2.gz WJICYOUPUSCJDI-UHFFFAOYSA-N 1 1 180.295 1.367 10 0 ADAEMO C1CCC2(C1)C[N@@H+](C1CC1)CCN2 83059748 573383047 /nfs/dbraw/zinc/38/30/47/573383047.db2.gz WJICYOUPUSCJDI-UHFFFAOYSA-N 1 1 180.295 1.367 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCN[C@@](C)(CC)C1 83059622 573383103 /nfs/dbraw/zinc/38/31/03/573383103.db2.gz SEGHXOFLFSITHG-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@H](C)N1CC[NH2+][C@@](C)(CC)C1 83059622 573383109 /nfs/dbraw/zinc/38/31/09/573383109.db2.gz SEGHXOFLFSITHG-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CC(C)[C@@]1(C)[C@@H](N)CC[N@@H+]1C 107158793 573383116 /nfs/dbraw/zinc/38/31/16/573383116.db2.gz MDARQSJDMBFJHI-IUCAKERBSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@@]1(C)[C@@H](N)CC[N@H+]1C 107158793 573383120 /nfs/dbraw/zinc/38/31/20/573383120.db2.gz MDARQSJDMBFJHI-IUCAKERBSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@H](C)[C@@H](N)C[NH2+]C[C@@H](C)C1CC1 133212116 573383155 /nfs/dbraw/zinc/38/31/55/573383155.db2.gz USIWPXNFIDQDPI-UMNHJUIQSA-N 1 1 198.354 1.996 10 0 ADAEMO CC(C)[C@@H]1C[N@H+](C(C)(C)C)CCN1 83059330 573383172 /nfs/dbraw/zinc/38/31/72/573383172.db2.gz UIAPRILFIGXUMQ-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@@H]1CN(C(C)(C)C)CC[NH2+]1 83059330 573383174 /nfs/dbraw/zinc/38/31/74/573383174.db2.gz UIAPRILFIGXUMQ-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)[N@H+]1CCN[C@H](CC)C1 83059638 573383207 /nfs/dbraw/zinc/38/32/07/573383207.db2.gz XMMYRAXFBFFKCS-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H](C)N1CC[NH2+][C@H](CC)C1 83059638 573383212 /nfs/dbraw/zinc/38/32/12/573383212.db2.gz XMMYRAXFBFFKCS-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO COC(=O)/C=C\C[C@H]1CCCC[N@H+]1C 258333703 573383317 /nfs/dbraw/zinc/38/33/17/573383317.db2.gz XDTPTENGWFAZGY-DAGBOUIGSA-N 1 1 197.278 1.590 10 0 ADAEMO CC(C)[C@@H](N)C[NH2+]C[C@@H](C)C1CC1 133199470 573383329 /nfs/dbraw/zinc/38/33/29/573383329.db2.gz ZCJSAIYLOVPCCQ-KOLCDFICSA-N 1 1 184.327 1.605 10 0 ADAEMO CC1CCC([N@H+]2CCN[C@@H](C)C2)CC1 83060113 573383420 /nfs/dbraw/zinc/38/34/20/573383420.db2.gz SADNVRRAEYOVIC-CXQJBGSLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC1CCC(N2CC[NH2+][C@@H](C)C2)CC1 83060113 573383425 /nfs/dbraw/zinc/38/34/25/573383425.db2.gz SADNVRRAEYOVIC-CXQJBGSLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@@]1(C)[C@H](N)CC[N@@H+]1C 107158784 573383480 /nfs/dbraw/zinc/38/34/80/573383480.db2.gz MDARQSJDMBFJHI-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@@]1(C)[C@H](N)CC[N@H+]1C 107158784 573383484 /nfs/dbraw/zinc/38/34/84/573383484.db2.gz MDARQSJDMBFJHI-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H](C[NH2+]C[C@@](C)(N)C1CC1)C1CC1 133183848 573383495 /nfs/dbraw/zinc/38/34/95/573383495.db2.gz HRBBCECUVLXKQQ-JOYOIKCWSA-N 1 1 196.338 1.750 10 0 ADAEMO Cc1[nH+]cn2cccc(C=O)c12 107159379 573383515 /nfs/dbraw/zinc/38/35/15/573383515.db2.gz FBGVYMVCGIDFPS-UHFFFAOYSA-N 1 1 160.176 1.455 10 0 ADAEMO COc1ccc(C)n2c(N)c[nH+]c12 238375977 573383523 /nfs/dbraw/zinc/38/35/23/573383523.db2.gz WSKNZFUOGFGKTH-UHFFFAOYSA-N 1 1 177.207 1.234 10 0 ADAEMO NC[C@@H](C[NH2+]C1CC1)c1cccs1 258333305 573383534 /nfs/dbraw/zinc/38/35/34/573383534.db2.gz YSRKNQUTXMFYEK-QMMMGPOBSA-N 1 1 196.319 1.542 10 0 ADAEMO CC(C)[C@@H](N)C[NH2+]C[C@H](C)C1CC1 133199874 573383541 /nfs/dbraw/zinc/38/35/41/573383541.db2.gz ZCJSAIYLOVPCCQ-ONGXEEELSA-N 1 1 184.327 1.605 10 0 ADAEMO COc1cc(OC)c2c[nH+]cn2c1 238376101 573383555 /nfs/dbraw/zinc/38/35/55/573383555.db2.gz GZASMXGRXGLVHS-UHFFFAOYSA-N 1 1 178.191 1.352 10 0 ADAEMO CC(C)CC[C@@]1(C2CC2)COC(N)=[NH+]1 308566774 573383569 /nfs/dbraw/zinc/38/35/69/573383569.db2.gz YTTIJCYMNYLEFC-NSHDSACASA-N 1 1 196.294 1.916 10 0 ADAEMO CC[N@H+]1CC[C@@H]([C@@]2(C)CCCC[NH2+]2)C1 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ADAEMO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc[nH]n1 130141547 573483819 /nfs/dbraw/zinc/48/38/19/573483819.db2.gz VEZZAAHDFKYVPB-IUCAKERBSA-N 1 1 196.298 1.010 10 0 ADAEMO Cc1ccc([C@]2(C)[NH2+][C@@H](C)CO2)o1 258678215 573483874 /nfs/dbraw/zinc/48/38/74/573483874.db2.gz TUDWDNKUECYERL-OIBJUYFYSA-N 1 1 181.235 1.769 10 0 ADAEMO CC(=O)[C@H](F)[C@@H]1CCC[N@H+](C)C1 257818986 573483898 /nfs/dbraw/zinc/48/38/98/573483898.db2.gz FEDAROQZWBVURP-BDAKNGLRSA-N 1 1 173.231 1.255 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCCN[C@@H](C)C1 259470507 573483921 /nfs/dbraw/zinc/48/39/21/573483921.db2.gz QSTKAYCJYPSLEC-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CCc1[nH]c(C2C[NH2+]C2)nc1C1CC1 257819017 573484031 /nfs/dbraw/zinc/48/40/31/573484031.db2.gz FHZVRXJJYTZYDD-UHFFFAOYSA-N 1 1 191.278 1.536 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[C@@H]2O)C1 86536245 573484207 /nfs/dbraw/zinc/48/42/07/573484207.db2.gz WRRZMXULALROFA-WOPDTQHZSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@@H]1CCC[C@@H]([C@@H]2CCCCN2)[NH2+]1 238415693 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573503427 /nfs/dbraw/zinc/50/34/27/573503427.db2.gz STEQWRNPGQLJHZ-UHFFFAOYSA-N 1 1 142.246 1.039 10 0 ADAEMO Cc1ccc([C@@H]2[NH2+][C@@H](C)CO2)o1 258709203 573503612 /nfs/dbraw/zinc/50/36/12/573503612.db2.gz UWSSYZVQQRXBFT-IMTBSYHQSA-N 1 1 167.208 1.595 10 0 ADAEMO C[C@H]([NH3+])CNc1ccc2nc[nH]c2c1 258715159 573505569 /nfs/dbraw/zinc/50/55/69/573505569.db2.gz IHXWEWNLHBANHW-ZETCQYMHSA-N 1 1 190.250 1.322 10 0 ADAEMO C[C@H]1CO[C@](C)(c2ccco2)[NH2+]1 258718224 573504896 /nfs/dbraw/zinc/50/48/96/573504896.db2.gz VEAAQZMPBAZRHO-IONNQARKSA-N 1 1 167.208 1.461 10 0 ADAEMO C[N@H+]1CCC[C@]1(CN)C(C)(C)C 258713192 573505649 /nfs/dbraw/zinc/50/56/49/573505649.db2.gz NUYXKIFJNQDNII-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO O=C1CC[NH+]([C@@H]2CCCC(=O)C2)CC1 86600741 573504935 /nfs/dbraw/zinc/50/49/35/573504935.db2.gz WUNPVHPGRHFVBG-SECBINFHSA-N 1 1 195.262 1.163 10 0 ADAEMO CC(C)[C@H]1CCC[C@]([NH3+])(CN)CC1 83437695 573504954 /nfs/dbraw/zinc/50/49/54/573504954.db2.gz FDTYQPSHKGECDJ-WDEREUQCSA-N 1 1 184.327 1.879 10 0 ADAEMO Cc1cn2c([nH+]1)CCC[C@@H]2CO 258049379 573504962 /nfs/dbraw/zinc/50/49/62/573504962.db2.gz AHZGEGVCDUAKQK-MRVPVSSYSA-N 1 1 166.224 1.061 10 0 ADAEMO C[N@@H+](CC1CC1)[C@@H]1CCCC(=O)C1 86600170 573504978 /nfs/dbraw/zinc/50/49/78/573504978.db2.gz CGGJVGICDUNGII-SNVBAGLBSA-N 1 1 181.279 1.840 10 0 ADAEMO Cc1ccc([C@H]([NH3+])C2(N)CC2)c(C)c1 259479167 573504991 /nfs/dbraw/zinc/50/49/91/573504991.db2.gz PPYXZLLZLQWYAN-NSHDSACASA-N 1 1 190.290 1.795 10 0 ADAEMO CCC(CC)[NH2+][C@H]1C[C@@H](C)OC1=O 308396152 573505000 /nfs/dbraw/zinc/50/50/00/573505000.db2.gz DGSVTNJJFHGVIC-APPZFPTMSA-N 1 1 185.267 1.469 10 0 ADAEMO C[C@@]1(c2ccco2)[NH2+]CCO1 258713713 573505059 /nfs/dbraw/zinc/50/50/59/573505059.db2.gz VCKJCALIZKDVDB-MRVPVSSYSA-N 1 1 153.181 1.072 10 0 ADAEMO C[C@@H]1COCC[N@H+]1[C@@H]1CCCC(=O)C1 86600017 573505077 /nfs/dbraw/zinc/50/50/77/573505077.db2.gz FCUCDWOPPIFXAP-NXEZZACHSA-N 1 1 197.278 1.219 10 0 ADAEMO C[C@@H]1CO[C@@](C)(c2ccco2)[NH2+]1 258718220 573505139 /nfs/dbraw/zinc/50/51/39/573505139.db2.gz VEAAQZMPBAZRHO-APPZFPTMSA-N 1 1 167.208 1.461 10 0 ADAEMO C[N@H+]1CCCC[C@@]1(C)c1cc(N)n[nH]1 258048525 573505167 /nfs/dbraw/zinc/50/51/67/573505167.db2.gz JWGRFPDUCQEZKH-JTQLQIEISA-N 1 1 194.282 1.323 10 0 ADAEMO Cc1cccc(N(C)C)c1C(=O)C[NH3+] 259481108 573505287 /nfs/dbraw/zinc/50/52/87/573505287.db2.gz PCKZZAOMMHLQII-UHFFFAOYSA-N 1 1 192.262 1.202 10 0 ADAEMO Cc1ccc([C@H]2[NH2+][C@@H](C)CO2)o1 258709210 573505303 /nfs/dbraw/zinc/50/53/03/573505303.db2.gz UWSSYZVQQRXBFT-RCOVLWMOSA-N 1 1 167.208 1.595 10 0 ADAEMO C[C@H]1CCC[N@H+]1[C@@H]1CCCC(=O)C1 86600153 573505525 /nfs/dbraw/zinc/50/55/25/573505525.db2.gz DFQGQRBWWLGBFC-VHSXEESVSA-N 1 1 181.279 1.982 10 0 ADAEMO C[C@H](C[NH3+])[C@H](N)c1cccs1 259110475 573505536 /nfs/dbraw/zinc/50/55/36/573505536.db2.gz BLGLDVHHACARPV-SVRRBLITSA-N 1 1 170.281 1.343 10 0 ADAEMO CC(C)[C@H]1CCC[C@@]([NH3+])(CN)CC1 83437697 573507005 /nfs/dbraw/zinc/50/70/05/573507005.db2.gz FDTYQPSHKGECDJ-QWRGUYRKSA-N 1 1 184.327 1.879 10 0 ADAEMO C/C=C\C[N@H+]1CCN[C@@](C)(C2CC2)C1 308400588 573507011 /nfs/dbraw/zinc/50/70/11/573507011.db2.gz LSOMTINKQDCGHE-VSQXVHSFSA-N 1 1 194.322 1.636 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H]1CCC[C@H]1O 86753257 573606603 /nfs/dbraw/zinc/60/66/03/573606603.db2.gz BZPASQYQSISLDM-VHSXEESVSA-N 1 1 194.278 1.607 10 0 ADAEMO CCOC(=[NH2+])c1ccc(N)cc1 224394238 573606690 /nfs/dbraw/zinc/60/66/90/573606690.db2.gz FAVIHIVXZPSWKR-UHFFFAOYSA-N 1 1 164.208 1.631 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H]1CCC[C@@H]1O 86753253 573606742 /nfs/dbraw/zinc/60/67/42/573606742.db2.gz BZPASQYQSISLDM-UWVGGRQHSA-N 1 1 194.278 1.607 10 0 ADAEMO CC[C@H]1CCC[C@@]([NH3+])(CN)CC1 83436009 573506693 /nfs/dbraw/zinc/50/66/93/573506693.db2.gz QXQPCIKRZDZXAV-UWVGGRQHSA-N 1 1 170.300 1.633 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCCC(=O)C1 86600151 573506694 /nfs/dbraw/zinc/50/66/94/573506694.db2.gz DFQGQRBWWLGBFC-NXEZZACHSA-N 1 1 181.279 1.982 10 0 ADAEMO CO[C@H](C)[C@@H](C)[N@@H+](C)CC[C@H](C)O 308395821 573506740 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1.037 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCCC(=O)C1 86599936 573507954 /nfs/dbraw/zinc/50/79/54/573507954.db2.gz IGKPTHPDDVNMRA-QMMMGPOBSA-N 1 1 155.241 1.450 10 0 ADAEMO C[C@@H]1NCC[C@H]2CCCC[N@H+]21 238419177 573507962 /nfs/dbraw/zinc/50/79/62/573507962.db2.gz CALBXQZBTPPTRJ-RKDXNWHRSA-N 1 1 154.257 1.180 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]2CCCCN21 238419177 573507967 /nfs/dbraw/zinc/50/79/67/573507967.db2.gz CALBXQZBTPPTRJ-RKDXNWHRSA-N 1 1 154.257 1.180 10 0 ADAEMO CO[C@H](C)[C@@H](C)[N@@H+](C)CC[C@@H](C)O 308395832 573508629 /nfs/dbraw/zinc/50/86/29/573508629.db2.gz DBYRACYTDOSVEX-OPRDCNLKSA-N 1 1 189.299 1.113 10 0 ADAEMO C[C@]12CC=CC[C@@]1(C)C[N@H+](CC[NH3+])C2 238419532 573508015 /nfs/dbraw/zinc/50/80/15/573508015.db2.gz OVHLDOMYCLXTFW-TXEJJXNPSA-N 1 1 194.322 1.623 10 0 ADAEMO C[C@]12CC=CC[C@@]1(C)CN(CC[NH3+])C2 238419532 573508024 /nfs/dbraw/zinc/50/80/24/573508024.db2.gz OVHLDOMYCLXTFW-TXEJJXNPSA-N 1 1 194.322 1.623 10 0 ADAEMO C[C@H]1CO[C@@](C)(c2ccco2)[NH2+]1 258718222 573508038 /nfs/dbraw/zinc/50/80/38/573508038.db2.gz VEAAQZMPBAZRHO-CBAPKCEASA-N 1 1 167.208 1.461 10 0 ADAEMO C[N@@H+](CC1CC1)[C@H]1CCCC(=O)C1 86600172 573508134 /nfs/dbraw/zinc/50/81/34/573508134.db2.gz CGGJVGICDUNGII-JTQLQIEISA-N 1 1 181.279 1.840 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@@H]2NCC(C)(C)O2)C1 258709145 573508155 /nfs/dbraw/zinc/50/81/55/573508155.db2.gz UVXKQUKDYYUSSB-VHSXEESVSA-N 1 1 198.310 1.053 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1CCCC(=O)C1 86599938 573508157 /nfs/dbraw/zinc/50/81/57/573508157.db2.gz HMMGIVHOPKXKQH-SNVBAGLBSA-N 1 1 181.279 1.982 10 0 ADAEMO C[C@@H]([NH3+])Cc1[nH]ncc1C1CC1 257822325 573508195 /nfs/dbraw/zinc/50/81/95/573508195.db2.gz FHWBZGSMRKCTPV-ZCFIWIBFSA-N 1 1 165.240 1.177 10 0 ADAEMO C[C@@]12CC=CC[C@@]1(C)C[NH+](CC[NH3+])C2 238419225 573508196 /nfs/dbraw/zinc/50/81/96/573508196.db2.gz OVHLDOMYCLXTFW-RYUDHWBXSA-N 1 1 194.322 1.623 10 0 ADAEMO C[C@@]12CC=CC[C@@]1(C)CN(CC[NH3+])C2 238419225 573508200 /nfs/dbraw/zinc/50/82/00/573508200.db2.gz OVHLDOMYCLXTFW-RYUDHWBXSA-N 1 1 194.322 1.623 10 0 ADAEMO C[NH2+][C@H]1CCC[C@@H]([N@@H+](C)C(C)C)C1 86599004 573508211 /nfs/dbraw/zinc/50/82/11/573508211.db2.gz NNIKEAZTCKAHQR-WDEREUQCSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H](F)C[N@H+]1CC[C@](O)(CC)C1 308396122 573508247 /nfs/dbraw/zinc/50/82/47/573508247.db2.gz DFADJZAKVGNBKD-VHSXEESVSA-N 1 1 189.274 1.581 10 0 ADAEMO CC(C)[C@H]1C2=NOC(=O)C2C[N@@H+]1C 107229476 573508289 /nfs/dbraw/zinc/50/82/89/573508289.db2.gz WPTDFMYLXPHVAX-QMMMGPOBSA-N 1 1 182.223 1.523 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1CCCC(=O)C1 86599891 573508315 /nfs/dbraw/zinc/50/83/15/573508315.db2.gz HLHRYEOYCCRTTN-SECBINFHSA-N 1 1 169.268 1.838 10 0 ADAEMO CC(C)c1n[nH]c(C[C@@H]([NH3+])C2CC2)n1 130191063 573514748 /nfs/dbraw/zinc/51/47/48/573514748.db2.gz YYIFATWRKQYDMB-MRVPVSSYSA-N 1 1 194.282 1.208 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86601843 573514799 /nfs/dbraw/zinc/51/47/99/573514799.db2.gz SDXJYTWEEVJCIV-ZJUUUORDSA-N 1 1 171.284 1.632 10 0 ADAEMO C[NH2+]CCCNCCc1ccc(C)o1 258730276 573514856 /nfs/dbraw/zinc/51/48/56/573514856.db2.gz JXXDQCCNCCGCHH-UHFFFAOYSA-N 1 1 196.294 1.330 10 0 ADAEMO O=C1CCC[C@H]([N@H+]2CCCOCC2)C1 86601196 573514884 /nfs/dbraw/zinc/51/48/84/573514884.db2.gz GEVPFSBDUGRCIT-JTQLQIEISA-N 1 1 197.278 1.220 10 0 ADAEMO CC[C@](C)(O)CNc1ccc(N)[nH+]c1 83461692 573514115 /nfs/dbraw/zinc/51/41/15/573514115.db2.gz ZJZZUMZGYSRRLN-JTQLQIEISA-N 1 1 195.266 1.237 10 0 ADAEMO CC(C)C[N@@H+](C)[C@H]1CCC[C@H](O)C1 86601886 573514127 /nfs/dbraw/zinc/51/41/27/573514127.db2.gz VTJRZEYMTQLKOV-QWRGUYRKSA-N 1 1 185.311 1.878 10 0 ADAEMO Cc1nc(C2CC2)oc1C(=O)C[NH3+] 257824017 573514205 /nfs/dbraw/zinc/51/42/05/573514205.db2.gz GPERGFRVKUDPCD-UHFFFAOYSA-N 1 1 180.207 1.002 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCC[C@H](O)C1 86601850 573514236 /nfs/dbraw/zinc/51/42/36/573514236.db2.gz WAULLPOTKBNHGV-IUCAKERBSA-N 1 1 157.257 1.242 10 0 ADAEMO C[C@H]([NH2+][C@H](C)c1ncon1)C1CCC1 308602447 573514312 /nfs/dbraw/zinc/51/43/12/573514312.db2.gz BARCJHPXAKELBY-JGVFFNPUSA-N 1 1 195.266 1.909 10 0 ADAEMO CCc1nc(CC[C@H](C)[NH3+])[nH]c1C 258726466 573514373 /nfs/dbraw/zinc/51/43/73/573514373.db2.gz OYIUCZUJVXITBG-ZETCQYMHSA-N 1 1 181.283 1.560 10 0 ADAEMO CCc1[nH]c(CC[C@H](C)[NH3+])nc1C 258726466 573514378 /nfs/dbraw/zinc/51/43/78/573514378.db2.gz OYIUCZUJVXITBG-ZETCQYMHSA-N 1 1 181.283 1.560 10 0 ADAEMO O[C@@H]1CCc2[nH+]c(C3CCC3)cn2C1 258727956 573514485 /nfs/dbraw/zinc/51/44/85/573514485.db2.gz YZUFCAJGGKGFRO-SECBINFHSA-N 1 1 192.262 1.458 10 0 ADAEMO CCN[C@@H](C[NH3+])c1ccc(O)cc1 257824001 573514509 /nfs/dbraw/zinc/51/45/09/573514509.db2.gz GOIQBSIVHQWEHJ-JTQLQIEISA-N 1 1 180.251 1.002 10 0 ADAEMO C[N@@H+](CC(C)(C)O)[C@@H]1CCCC(=O)C1 86601546 573514514 /nfs/dbraw/zinc/51/45/14/573514514.db2.gz QUZKJENMVNBQEI-SECBINFHSA-N 1 1 199.294 1.201 10 0 ADAEMO C[C@H](N)C[N@@H+]1CCC2=C(CCCC2)C1 238422061 573514545 /nfs/dbraw/zinc/51/45/45/573514545.db2.gz PXUAQJGHXRUTPS-JTQLQIEISA-N 1 1 194.322 1.910 10 0 ADAEMO C[C@H](N)C[N@H+]1CCC2=C(CCCC2)C1 238422061 573514551 /nfs/dbraw/zinc/51/45/51/573514551.db2.gz PXUAQJGHXRUTPS-JTQLQIEISA-N 1 1 194.322 1.910 10 0 ADAEMO CC[C@H](F)C[N@@H+]1C[C@@H](F)C[C@H]1CO 308397146 573514563 /nfs/dbraw/zinc/51/45/63/573514563.db2.gz DYAZNTBHMBMXNA-CIUDSAMLSA-N 1 1 193.237 1.139 10 0 ADAEMO CC[C@H](F)C[N@H+]1C[C@@H](F)C[C@H]1CO 308397146 573514568 /nfs/dbraw/zinc/51/45/68/573514568.db2.gz DYAZNTBHMBMXNA-CIUDSAMLSA-N 1 1 193.237 1.139 10 0 ADAEMO CC(C)(C)c1[nH]nc2c1CC[C@H]2C[NH3+] 74247525 573514573 /nfs/dbraw/zinc/51/45/73/573514573.db2.gz VLJZFOPGJHFCRD-ZETCQYMHSA-N 1 1 193.294 1.696 10 0 ADAEMO CC[C@H](F)C[N@@H+]1C[C@@H](F)C[C@@H]1CO 308397148 573514588 /nfs/dbraw/zinc/51/45/88/573514588.db2.gz DYAZNTBHMBMXNA-XHNCKOQMSA-N 1 1 193.237 1.139 10 0 ADAEMO CC[C@H](F)C[N@H+]1C[C@@H](F)C[C@@H]1CO 308397148 573514592 /nfs/dbraw/zinc/51/45/92/573514592.db2.gz DYAZNTBHMBMXNA-XHNCKOQMSA-N 1 1 193.237 1.139 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1CCC[C@H](O)C1 86601853 573514595 /nfs/dbraw/zinc/51/45/95/573514595.db2.gz YFSRJTZSIZESGV-MNOVXSKESA-N 1 1 183.295 1.774 10 0 ADAEMO c1nc2c(c(NC3CCC3)n1)C[NH2+]C2 257821983 573514636 /nfs/dbraw/zinc/51/46/36/573514636.db2.gz GGDKMYCKBPSXAM-UHFFFAOYSA-N 1 1 190.250 1.044 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCC[C@H](O)C1 86601871 573514658 /nfs/dbraw/zinc/51/46/58/573514658.db2.gz SNWKFZSWWHKFAQ-ZJUUUORDSA-N 1 1 169.268 1.384 10 0 ADAEMO C[NH2+][C@H]1CCCc2c[nH]nc21 107325273 573514739 /nfs/dbraw/zinc/51/47/39/573514739.db2.gz SZMCQEVXJVHNNL-ZETCQYMHSA-N 1 1 151.213 1.007 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)C2)C1 86617813 573522152 /nfs/dbraw/zinc/52/21/52/573522152.db2.gz IPLUZIXWSJFWIF-NXEZZACHSA-N 1 1 181.279 1.840 10 0 ADAEMO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCC(=O)C1 86617942 573522173 /nfs/dbraw/zinc/52/21/73/573522173.db2.gz WQYGWCMETOFTNF-KOLCDFICSA-N 1 1 197.278 1.219 10 0 ADAEMO CCC[N@H+]1CC[C@H](O)CC1(C)C 258737503 573521428 /nfs/dbraw/zinc/52/14/28/573521428.db2.gz JGCQJVYFQMQTRD-VIFPVBQESA-N 1 1 171.284 1.632 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H]2CCC(=O)C2)C1 86617923 573521490 /nfs/dbraw/zinc/52/14/90/573521490.db2.gz IONRHZLUNFFBRH-DTWKUNHWSA-N 1 1 167.252 1.450 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1CCC(=O)C1 86617852 573521518 /nfs/dbraw/zinc/52/15/18/573521518.db2.gz QQHMWPYSZNPKQR-MRVPVSSYSA-N 1 1 155.241 1.450 10 0 ADAEMO CC[N@@H+](C1CC1)[C@H]1CCC(=O)C1 86617837 573521604 /nfs/dbraw/zinc/52/16/04/573521604.db2.gz AKQAGFDRYQESDO-VIFPVBQESA-N 1 1 167.252 1.592 10 0 ADAEMO CC(C)(C)CN[C@H]1C[NH2+]C(C)(C)C1 258730684 573521673 /nfs/dbraw/zinc/52/16/73/573521673.db2.gz HFSLFYOXAUAZFJ-SECBINFHSA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCC(=O)C1 86618553 573521713 /nfs/dbraw/zinc/52/17/13/573521713.db2.gz QUCINAPGCYQYTK-KXUCPTDWSA-N 1 1 181.279 1.696 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCC(=O)C1 86617856 573521818 /nfs/dbraw/zinc/52/18/18/573521818.db2.gz MFDYPQIORJBIDQ-RKDXNWHRSA-N 1 1 169.268 1.838 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCC(=O)C1 86617806 573521911 /nfs/dbraw/zinc/52/19/11/573521911.db2.gz HTPVAXYLWLXESX-NXEZZACHSA-N 1 1 181.279 1.982 10 0 ADAEMO C[C@H]1CSCC[N@H+]1[C@@H]1CCC(=O)C1 86618562 573521920 /nfs/dbraw/zinc/52/19/20/573521920.db2.gz KLLKVNVJLSUUAN-DTWKUNHWSA-N 1 1 199.319 1.545 10 0 ADAEMO C[N@H+](C1CCOCC1)[C@H]1CCC(=O)C1 86617895 573521934 /nfs/dbraw/zinc/52/19/34/573521934.db2.gz SXSWZBUWOBIPEX-JTQLQIEISA-N 1 1 197.278 1.219 10 0 ADAEMO CC[C@H]1C[N@H+]([C@@H]2CCC(=O)C2)CCO1 86617875 573522005 /nfs/dbraw/zinc/52/20/05/573522005.db2.gz SVXMLQHSRUYYNN-KOLCDFICSA-N 1 1 197.278 1.219 10 0 ADAEMO C[N@@H+]([C@@H]1CCSC1)[C@@H]1CCC(=O)C1 86618074 573522020 /nfs/dbraw/zinc/52/20/20/573522020.db2.gz SOYINUBVJULWTG-RKDXNWHRSA-N 1 1 199.319 1.545 10 0 ADAEMO CCC[C@@H]([NH+](C)C)C(C)(C)CN 259489472 573522022 /nfs/dbraw/zinc/52/20/22/573522022.db2.gz LCEOZWZGVKBOCG-SECBINFHSA-N 1 1 172.316 1.702 10 0 ADAEMO O=C1CC[C@H]([N@H+]2CCCSCC2)C1 86618225 573522362 /nfs/dbraw/zinc/52/23/62/573522362.db2.gz WRWODQMAOSNYTR-VIFPVBQESA-N 1 1 199.319 1.547 10 0 ADAEMO CC[C@@H]1COCC[N@H+]1[C@@H]1CCC(=O)C1 86617896 573522376 /nfs/dbraw/zinc/52/23/76/573522376.db2.gz BQTLTZVRZFTNNP-NXEZZACHSA-N 1 1 197.278 1.219 10 0 ADAEMO C[NH2+][C@@H]([C@H]1CCCCN1)C(C)(C)C 259486625 573522417 /nfs/dbraw/zinc/52/24/17/573522417.db2.gz QZYUAAMWYFKPKB-ZJUUUORDSA-N 1 1 184.327 1.763 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@H]1CCC(=O)C1 86618491 573522424 /nfs/dbraw/zinc/52/24/24/573522424.db2.gz GUIWEUAFXDYSSE-VIFPVBQESA-N 1 1 181.279 1.982 10 0 ADAEMO CC[C@](C)(O)CNc1ccc(C)c[nH+]1 83466654 573522430 /nfs/dbraw/zinc/52/24/30/573522430.db2.gz XVHHYYSKGHZQKK-NSHDSACASA-N 1 1 194.278 1.963 10 0 ADAEMO C[C@@H]1CCC[C@H]([C@@H]2CCC[NH2+]2)N1 238425049 573522446 /nfs/dbraw/zinc/52/24/46/573522446.db2.gz APMWCIMCWMQYLM-KXUCPTDWSA-N 1 1 168.284 1.269 10 0 ADAEMO CC[C@@](C)(O)CNc1[nH+]cccc1C 83466631 573522628 /nfs/dbraw/zinc/52/26/28/573522628.db2.gz VNNGVRFLFHRPEN-LLVKDONJSA-N 1 1 194.278 1.963 10 0 ADAEMO CN(C)[C@@H]([NH3+])c1ccc(F)cc1F 259489467 573522682 /nfs/dbraw/zinc/52/26/82/573522682.db2.gz LCCHMDQPAWYKQX-SECBINFHSA-N 1 1 186.205 1.484 10 0 ADAEMO CC(C)C[N@@H+](C)[C@@H]1CCC(=O)C1 86617854 573522687 /nfs/dbraw/zinc/52/26/87/573522687.db2.gz FSRQJMLDNIZSAC-SECBINFHSA-N 1 1 169.268 1.696 10 0 ADAEMO C[NH2+][C@H]([C@H]1CCCCN1)C(C)(C)C 259486617 573522715 /nfs/dbraw/zinc/52/27/15/573522715.db2.gz QZYUAAMWYFKPKB-NXEZZACHSA-N 1 1 184.327 1.763 10 0 ADAEMO C[N@@H+](Cc1ccco1)[C@@H]1CCC(=O)C1 86618084 573522761 /nfs/dbraw/zinc/52/27/61/573522761.db2.gz AMGINAAHBUFIBI-SECBINFHSA-N 1 1 193.246 1.833 10 0 ADAEMO CN[C@H](c1ccncc1)C(C)(C)C[NH3+] 259489668 573522926 /nfs/dbraw/zinc/52/29/26/573522926.db2.gz RGFBAMPENJWZGN-SNVBAGLBSA-N 1 1 193.294 1.327 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCC(=O)C1 86617834 573522937 /nfs/dbraw/zinc/52/29/37/573522937.db2.gz DEBDXKBASVHGQJ-SSDOTTSWSA-N 1 1 141.214 1.060 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1CCC(=O)C1 86617820 573522953 /nfs/dbraw/zinc/52/29/53/573522953.db2.gz REQOGLXDQHELFT-QMMMGPOBSA-N 1 1 155.241 1.448 10 0 ADAEMO CC[C@@](C)(O)CNc1ccc(C)c[nH+]1 83466655 573522980 /nfs/dbraw/zinc/52/29/80/573522980.db2.gz XVHHYYSKGHZQKK-LLVKDONJSA-N 1 1 194.278 1.963 10 0 ADAEMO C[NH2+]C[C@H]1CCCc2cn[nH]c21 107329232 573523008 /nfs/dbraw/zinc/52/30/08/573523008.db2.gz REWVDSJFKLRVNF-SSDOTTSWSA-N 1 1 165.240 1.049 10 0 ADAEMO C[C@@]1(c2ccccc2F)[NH2+]CCO1 258742273 573524313 /nfs/dbraw/zinc/52/43/13/573524313.db2.gz WDLHBYZMJRIZSI-SNVBAGLBSA-N 1 1 181.210 1.618 10 0 ADAEMO CN1CC[N@@H+](C)[C@@H](C2CCCCC2)C1 258744128 573523594 /nfs/dbraw/zinc/52/35/94/573523594.db2.gz JQIQTQKIAIUSDQ-GFCCVEGCSA-N 1 1 196.338 1.813 10 0 ADAEMO CCCC(C)(C)[N@H+]1CC[C@@H](CO)C1 126352854 573523698 /nfs/dbraw/zinc/52/36/98/573523698.db2.gz CHGLQHJRCWMQPV-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@H]1CC[C@]1(CN)[N@H+](C)C[C@H]1C[C@H]1C 308613441 573523790 /nfs/dbraw/zinc/52/37/90/573523790.db2.gz RFIVZTKUGYJWSC-WRWGMCAJSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@H]1C[NH2+][C@](C)(c2ccco2)O1 258742334 573523802 /nfs/dbraw/zinc/52/38/02/573523802.db2.gz WDLPEJZPLYOHQS-CBAPKCEASA-N 1 1 167.208 1.461 10 0 ADAEMO C[NH2+]C[C@@H]1CCCc2[nH]cnc21 107329185 573523813 /nfs/dbraw/zinc/52/38/13/573523813.db2.gz YVMRZGYPMCQGER-ZETCQYMHSA-N 1 1 165.240 1.049 10 0 ADAEMO C[C@@H]1CCN[C@H]2CCCC[N@@H+]12 238432153 573523843 /nfs/dbraw/zinc/52/38/43/573523843.db2.gz LLKLOQZRAGHPMT-RKDXNWHRSA-N 1 1 154.257 1.180 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H]2CCCCN12 238432153 573523845 /nfs/dbraw/zinc/52/38/45/573523845.db2.gz LLKLOQZRAGHPMT-RKDXNWHRSA-N 1 1 154.257 1.180 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@H]1CC[C@H](O)C1 86620836 573523898 /nfs/dbraw/zinc/52/38/98/573523898.db2.gz XLHCUBGYADCEIH-UWVGGRQHSA-N 1 1 183.295 1.774 10 0 ADAEMO CCCC(C)(C)[N@H+]1CC[C@H](CO)C1 126352583 573523955 /nfs/dbraw/zinc/52/39/55/573523955.db2.gz CHGLQHJRCWMQPV-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](O)C1 86620343 573524037 /nfs/dbraw/zinc/52/40/37/573524037.db2.gz IQPJHNUJVFFKHQ-ZJUUUORDSA-N 1 1 171.284 1.630 10 0 ADAEMO C[C@@H]1CCC[C@]2(C1)NC[C@@H](C)[NH2+]2 238425496 573524137 /nfs/dbraw/zinc/52/41/37/573524137.db2.gz OWKNQRWVKQUQGI-BBBLOLIVSA-N 1 1 168.284 1.474 10 0 ADAEMO CC(C)C[N@@H+](C)CC(C)(C)CCO 388694431 573524141 /nfs/dbraw/zinc/52/41/41/573524141.db2.gz LRIJRJZILNIYFF-UHFFFAOYSA-N 1 1 187.327 1.983 10 0 ADAEMO CN[C@@H](c1ccncc1)C(C)(C)C[NH3+] 259489665 573524164 /nfs/dbraw/zinc/52/41/64/573524164.db2.gz RGFBAMPENJWZGN-JTQLQIEISA-N 1 1 193.294 1.327 10 0 ADAEMO CCCc1[nH+]ccn1[C@H]1CC[C@H](O)C1 86621192 573524205 /nfs/dbraw/zinc/52/42/05/573524205.db2.gz LHBBECARVZAWCP-UWVGGRQHSA-N 1 1 194.278 1.922 10 0 ADAEMO CC1(C)C[N@H+]([C@@H]2CC[C@H](O)C2)CCO1 86620447 573524216 /nfs/dbraw/zinc/52/42/16/573524216.db2.gz SOMLUELDXVJIOJ-ZJUUUORDSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1C[NH2+][C@@](C)(c2ccco2)O1 258742361 573527327 /nfs/dbraw/zinc/52/73/27/573527327.db2.gz WDLPEJZPLYOHQS-VXNVDRBHSA-N 1 1 167.208 1.461 10 0 ADAEMO CCc1[nH]c(C2(C[NH2+]C)CC2)nc1C 258747727 573527335 /nfs/dbraw/zinc/52/73/35/573527335.db2.gz QXYXPELMYWUAIM-UHFFFAOYSA-N 1 1 193.294 1.532 10 0 ADAEMO C[NH2+][C@@H](C1CCCC1)[C@@H](C)N 259490480 573527339 /nfs/dbraw/zinc/52/73/39/573527339.db2.gz QEUKALPBUUAOHA-VXNVDRBHSA-N 1 1 156.273 1.112 10 0 ADAEMO CN[C@H](c1ccccc1)[C@H]1CC[NH2+]C1 257827155 573527341 /nfs/dbraw/zinc/52/73/41/573527341.db2.gz HVNWQAVIPHYNFT-NWDGAFQWSA-N 1 1 190.290 1.557 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@]1(CN)CC[C@H]1C 308613430 573526506 /nfs/dbraw/zinc/52/65/06/573526506.db2.gz RFIVZTKUGYJWSC-KKOKHZNYSA-N 1 1 196.338 1.702 10 0 ADAEMO CN(C)[C@H]([NH3+])c1ccc(F)cc1F 259489470 573526527 /nfs/dbraw/zinc/52/65/27/573526527.db2.gz LCCHMDQPAWYKQX-VIFPVBQESA-N 1 1 186.205 1.484 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](O)C2)C[C@@H]1C 86621000 573526536 /nfs/dbraw/zinc/52/65/36/573526536.db2.gz MZGDWQWUKPTLOL-YTWAJWBKSA-N 1 1 183.295 1.488 10 0 ADAEMO Cc1nc(CCC(C)(C)[NH3+])[nH]c1C 258750011 573526604 /nfs/dbraw/zinc/52/66/04/573526604.db2.gz RADHEJHGCGIZDD-UHFFFAOYSA-N 1 1 181.283 1.696 10 0 ADAEMO CCCSCC(=[NH2+])OC 83487861 573526617 /nfs/dbraw/zinc/52/66/17/573526617.db2.gz SXWZUGOVMKRBDN-UHFFFAOYSA-N 1 1 147.243 1.753 10 0 ADAEMO C[N@H+](C1CCOCC1)[C@H]1CC[C@H](O)C1 86620454 573526674 /nfs/dbraw/zinc/52/66/74/573526674.db2.gz NEEDJCBHXKOZIE-QWRGUYRKSA-N 1 1 199.294 1.011 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620324 573526695 /nfs/dbraw/zinc/52/66/95/573526695.db2.gz FXTZXRHCLWCZKS-AEJSXWLSSA-N 1 1 171.284 1.630 10 0 ADAEMO C[N@H+]1CC[C@]2(C1)NCCCC2(F)F 258752090 573526744 /nfs/dbraw/zinc/52/67/44/573526744.db2.gz CXPTVQLDAQLDOK-MRVPVSSYSA-N 1 1 190.237 1.079 10 0 ADAEMO CN1CCCC[C@@H]1c1oncc1C[NH3+] 258406383 573526758 /nfs/dbraw/zinc/52/67/58/573526758.db2.gz CSFSHJYMAKCJJN-SECBINFHSA-N 1 1 195.266 1.290 10 0 ADAEMO Cc1[nH+]ccn1[C@H]1CC[C@@H](O)C1 86621034 573526830 /nfs/dbraw/zinc/52/68/30/573526830.db2.gz BVHHUNUOVPVMIG-DTWKUNHWSA-N 1 1 166.224 1.277 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620234 573526861 /nfs/dbraw/zinc/52/68/61/573526861.db2.gz MNCUVGGRNYCSBM-BDAKNGLRSA-N 1 1 157.257 1.240 10 0 ADAEMO CC[C@@H]1COCC[N@H+]1[C@@H]1CC[C@H](O)C1 86620459 573526906 /nfs/dbraw/zinc/52/69/06/573526906.db2.gz XMOCYQNIUFIEOS-MXWKQRLJSA-N 1 1 199.294 1.011 10 0 ADAEMO CCc1[nH+]ccn1[C@@H]1CC[C@H](O)C1 86621127 573526918 /nfs/dbraw/zinc/52/69/18/573526918.db2.gz ORUJMDWMMNMNSG-BDAKNGLRSA-N 1 1 180.251 1.531 10 0 ADAEMO CCc1[nH+]ccn1[C@@H]1CC[C@@H](O)C1 86621129 573526968 /nfs/dbraw/zinc/52/69/68/573526968.db2.gz ORUJMDWMMNMNSG-RKDXNWHRSA-N 1 1 180.251 1.531 10 0 ADAEMO C[C@@H]1C[NH2+][C@](C)(c2ccco2)O1 258742318 573527122 /nfs/dbraw/zinc/52/71/22/573527122.db2.gz WDLPEJZPLYOHQS-APPZFPTMSA-N 1 1 167.208 1.461 10 0 ADAEMO CNCC[NH2+]CCc1sccc1C 258751247 573527208 /nfs/dbraw/zinc/52/72/08/573527208.db2.gz MCAXGRDOTJUFED-UHFFFAOYSA-N 1 1 198.335 1.408 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](O)C2)C1 86620218 573527299 /nfs/dbraw/zinc/52/72/99/573527299.db2.gz NXCROVLSGVWAAM-MXWKQRLJSA-N 1 1 183.295 1.632 10 0 ADAEMO CN1CCCC[C@H]1c1oncc1C[NH3+] 258406384 573526482 /nfs/dbraw/zinc/52/64/82/573526482.db2.gz CSFSHJYMAKCJJN-VIFPVBQESA-N 1 1 195.266 1.290 10 0 ADAEMO CN[C@H](C1CCC1)[C@H]1CCC[NH2+]1 259499325 573542655 /nfs/dbraw/zinc/54/26/55/573542655.db2.gz RXWLUKQCNZLNJZ-NXEZZACHSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C1CCCC1)N(C)C 259500882 573542770 /nfs/dbraw/zinc/54/27/70/573542770.db2.gz LRLQQNDUDIWNQB-SCZZXKLOSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@]12CCCC[C@@]1(C)C[N@H+](CC[NH3+])C2 238434487 573542774 /nfs/dbraw/zinc/54/27/74/573542774.db2.gz BSACSQJSCRYXNF-TXEJJXNPSA-N 1 1 196.338 1.847 10 0 ADAEMO C[C@]12CCCC[C@@]1(C)CN(CC[NH3+])C2 238434487 573542787 /nfs/dbraw/zinc/54/27/87/573542787.db2.gz BSACSQJSCRYXNF-TXEJJXNPSA-N 1 1 196.338 1.847 10 0 ADAEMO N[C@H]1CCCC[C@]1([NH3+])c1ccccc1 224285599 573541954 /nfs/dbraw/zinc/54/19/54/573541954.db2.gz AQHKOJNNMBYCFJ-RYUDHWBXSA-N 1 1 190.290 1.742 10 0 ADAEMO COC(=O)[C@]1([NH2+]CC2CC2)CC[C@@H]1C 308616429 573541969 /nfs/dbraw/zinc/54/19/69/573541969.db2.gz RVSPSAXZZOWSDQ-KWQFWETISA-N 1 1 197.278 1.328 10 0 ADAEMO CN[C@@H](C1CCC1)[C@@H]1CCC[NH2+]1 259499329 573541981 /nfs/dbraw/zinc/54/19/81/573541981.db2.gz RXWLUKQCNZLNJZ-UWVGGRQHSA-N 1 1 168.284 1.127 10 0 ADAEMO COC(=O)[C@@]1([NH2+]CC2CC2)CC[C@@H]1C 308616427 573542023 /nfs/dbraw/zinc/54/20/23/573542023.db2.gz RVSPSAXZZOWSDQ-GZMMTYOYSA-N 1 1 197.278 1.328 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C1CCCC1)N(C)C 259500885 573542316 /nfs/dbraw/zinc/54/23/16/573542316.db2.gz LRLQQNDUDIWNQB-WPRPVWTQSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)C[C@H](CO)[NH2+]CC(F)F 40776801 573542327 /nfs/dbraw/zinc/54/23/27/573542327.db2.gz DXAXVPYIHYXWTC-SSDOTTSWSA-N 1 1 181.226 1.248 10 0 ADAEMO C[C@H]([NH3+])Cc1ncc2ccc(F)cn12 107356561 573542382 /nfs/dbraw/zinc/54/23/82/573542382.db2.gz KRTOWCLQJSENAW-ZETCQYMHSA-N 1 1 193.225 1.363 10 0 ADAEMO C[C@H](O)CC[C@@H]1CCC[N@H+]1C 238434819 573542430 /nfs/dbraw/zinc/54/24/30/573542430.db2.gz NDPBSYOMXBXAJY-IUCAKERBSA-N 1 1 157.257 1.242 10 0 ADAEMO C[C@H](O)CC[C@@H]1CC[C@@H](C)[N@H+]1C 238434883 573542534 /nfs/dbraw/zinc/54/25/34/573542534.db2.gz VXVARGGCKUTMLL-UTLUCORTSA-N 1 1 171.284 1.630 10 0 ADAEMO NC(=[NH2+])c1c(O)ccc(F)c1Cl 107349351 573542574 /nfs/dbraw/zinc/54/25/74/573542574.db2.gz SVIJMVLJRPYVBD-UHFFFAOYSA-N 1 1 188.589 1.469 10 0 ADAEMO CC[N@H+]1CC[C@H](CO)CC1(C)C 259499786 573542607 /nfs/dbraw/zinc/54/26/07/573542607.db2.gz SUPAFAGAAQLCHY-VIFPVBQESA-N 1 1 171.284 1.489 10 0 ADAEMO [NH3+][C@@H](C(F)F)[C@@H]1CCc2cccnc21 236299682 573544867 /nfs/dbraw/zinc/54/48/67/573544867.db2.gz WKHYSEFZLQTUAX-JGVFFNPUSA-N 1 1 198.216 1.704 10 0 ADAEMO C[C@H]([NH+]1CCCC1)C(C)(C)N 259500976 573544878 /nfs/dbraw/zinc/54/48/78/573544878.db2.gz YSNCXEHSAQNCCS-QMMMGPOBSA-N 1 1 156.273 1.208 10 0 ADAEMO CNCC(C)(C)[N@H+](C)C1CCCC1 258769664 573544903 /nfs/dbraw/zinc/54/49/03/573544903.db2.gz HREWBMSWMNBBIY-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CNCC(C)(C)[N@@H+](C)C1CCCC1 258769664 573544908 /nfs/dbraw/zinc/54/49/08/573544908.db2.gz HREWBMSWMNBBIY-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCc1cn[nH]c1CCC[NH2+]C 257824971 573544275 /nfs/dbraw/zinc/54/42/75/573544275.db2.gz GMAHPGNAOLMUNJ-UHFFFAOYSA-N 1 1 167.256 1.124 10 0 ADAEMO Cc1nc(C=O)c2cc([O-])ccn12 257825020 573544285 /nfs/dbraw/zinc/54/42/85/573544285.db2.gz GXVNXYPAOYCJBF-UHFFFAOYSA-N 1 1 176.175 1.161 10 0 ADAEMO C[C@@H]([NH+]1CCCC1)C(C)(C)N 259500974 573544313 /nfs/dbraw/zinc/54/43/13/573544313.db2.gz YSNCXEHSAQNCCS-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@@H]([NH3+])[C@H](C1CCCC1)N(C)C 259500880 573544371 /nfs/dbraw/zinc/54/43/71/573544371.db2.gz LRLQQNDUDIWNQB-PSASIEDQSA-N 1 1 170.300 1.454 10 0 ADAEMO Cc1cccc([C@H](N)C(C)(C)C[NH3+])c1 259500824 573544975 /nfs/dbraw/zinc/54/49/75/573544975.db2.gz UMFGBAXJPNSUJN-NSHDSACASA-N 1 1 192.306 1.980 10 0 ADAEMO N[C@H]1CCCC[C@@]1([NH3+])c1ccccc1 224285548 573544446 /nfs/dbraw/zinc/54/44/46/573544446.db2.gz AQHKOJNNMBYCFJ-NWDGAFQWSA-N 1 1 190.290 1.742 10 0 ADAEMO C[C@H](O)CC[C@H]1CCC[N@H+]1C 238435443 573544479 /nfs/dbraw/zinc/54/44/79/573544479.db2.gz NDPBSYOMXBXAJY-DTWKUNHWSA-N 1 1 157.257 1.242 10 0 ADAEMO CC1(C)C[C@H](NC2CCCC2)C[NH2+]1 258770063 573544500 /nfs/dbraw/zinc/54/45/00/573544500.db2.gz PTNBDNUFVYOURX-JTQLQIEISA-N 1 1 182.311 1.659 10 0 ADAEMO CC[N@H+]1CC[C@@H](CO)CC1(C)C 259499783 573544505 /nfs/dbraw/zinc/54/45/05/573544505.db2.gz SUPAFAGAAQLCHY-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO CO[C@H](C)C[N@@H+](C)C[C@H]1CCCC1=O 308619513 573544533 /nfs/dbraw/zinc/54/45/33/573544533.db2.gz SORUSVNBDYZFOI-NXEZZACHSA-N 1 1 199.294 1.322 10 0 ADAEMO Cc1ncc([C@H]2CSCC[NH2+]2)o1 257825046 573544608 /nfs/dbraw/zinc/54/46/08/573544608.db2.gz GYXDOGZPYRQGCI-SSDOTTSWSA-N 1 1 184.264 1.361 10 0 ADAEMO COC(=O)CC[C@H]1CCC[N@@H+](C)[C@H]1C 259505298 573556467 /nfs/dbraw/zinc/55/64/67/573556467.db2.gz BEYYVWNCLGFXRL-VHSXEESVSA-N 1 1 199.294 1.670 10 0 ADAEMO CC(C)CC[N@@H+]1Cc2cncnc2C1 585332184 573555665 /nfs/dbraw/zinc/55/56/65/573555665.db2.gz KXPSCYQBFKRWOR-UHFFFAOYSA-N 1 1 191.278 1.838 10 0 ADAEMO CC(C)CC[N@H+]1Cc2cncnc2C1 585332184 573555672 /nfs/dbraw/zinc/55/56/72/573555672.db2.gz KXPSCYQBFKRWOR-UHFFFAOYSA-N 1 1 191.278 1.838 10 0 ADAEMO CSCC[C@@H]([NH3+])[C@H]1CCN(C)C1 259111964 573555687 /nfs/dbraw/zinc/55/56/87/573555687.db2.gz KPHSJEVGNJJARN-DTWKUNHWSA-N 1 1 188.340 1.019 10 0 ADAEMO CCc1ccc([C@@H](NC)[C@H](C)[NH3+])cc1 259505718 573555741 /nfs/dbraw/zinc/55/57/41/573555741.db2.gz REYKNWXQNXBOTE-CABZTGNLSA-N 1 1 192.306 1.857 10 0 ADAEMO C[N@H+]1CCCC[C@H]1COc1cn[nH]c1 258771385 573555851 /nfs/dbraw/zinc/55/58/51/573555851.db2.gz WYAMTGWFFFHYEJ-VIFPVBQESA-N 1 1 195.266 1.273 10 0 ADAEMO CCC1CN([C@@H]2CCCC[C@@H]2[NH3+])C1 86663142 573555944 /nfs/dbraw/zinc/55/59/44/573555944.db2.gz KDHIJVMPIJAERP-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO C1CC2(C1)CN(C1CC[NH2+]CC1)C2 86662942 573555991 /nfs/dbraw/zinc/55/59/91/573555991.db2.gz BLHPZNPCCIJECJ-UHFFFAOYSA-N 1 1 180.295 1.224 10 0 ADAEMO C1CCC2(C1)CN(C1CC[NH2+]CC1)C2 86662939 573556002 /nfs/dbraw/zinc/55/60/02/573556002.db2.gz MFGPSSYKRCDQKN-UHFFFAOYSA-N 1 1 194.322 1.614 10 0 ADAEMO [NH3+]CCCN1CC2(CCCCCC2)C1 86663375 573556018 /nfs/dbraw/zinc/55/60/18/573556018.db2.gz WPAYEQPLIZAAGL-UHFFFAOYSA-N 1 1 196.338 1.991 10 0 ADAEMO C[C@@H]1CCC[C@@H]2CC(=O)CC[N@@H+]12 197045116 573556023 /nfs/dbraw/zinc/55/60/23/573556023.db2.gz RZKUAFVYXNIANN-RKDXNWHRSA-N 1 1 167.252 1.592 10 0 ADAEMO CCOC(=O)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 393534829 573556098 /nfs/dbraw/zinc/55/60/98/573556098.db2.gz ZXQNXAFTYSODEO-AEJSXWLSSA-N 1 1 197.278 1.328 10 0 ADAEMO [NH3+][C@H](C1=CCCCC1)c1ncccn1 236314297 573556145 /nfs/dbraw/zinc/55/61/45/573556145.db2.gz WWEAKCXYIWASCB-SNVBAGLBSA-N 1 1 189.262 1.977 10 0 ADAEMO CCOC(=O)[C@]12CCC[N@H+]1[C@@H](C)CC2 259506602 573556183 /nfs/dbraw/zinc/55/61/83/573556183.db2.gz BJIJSLBBQSRJSR-GXSJLCMTSA-N 1 1 197.278 1.566 10 0 ADAEMO CC1(C)CC[C@H]1[NH2+]C[C@](C)(N)C1CC1 308620221 573556294 /nfs/dbraw/zinc/55/62/94/573556294.db2.gz SUXBCIKMQGVCGG-PWSUYJOCSA-N 1 1 196.338 1.892 10 0 ADAEMO CC1(C)CC[C@@H]1[NH2+]C[C@@](C)(N)C1CC1 308620219 573556321 /nfs/dbraw/zinc/55/63/21/573556321.db2.gz SUXBCIKMQGVCGG-CMPLNLGQSA-N 1 1 196.338 1.892 10 0 ADAEMO C[C@@H]1[C@@H](CCCO)CCC[N@H+]1C 238438714 573556355 /nfs/dbraw/zinc/55/63/55/573556355.db2.gz QYXXRXCUCJYSOO-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@H]1[C@@H](O)CCC[N@H+]1C1CCCC1 306652358 573567609 /nfs/dbraw/zinc/56/76/09/573567609.db2.gz GGRDTYVCQUZMJQ-ONGXEEELSA-N 1 1 183.295 1.774 10 0 ADAEMO N[C@H](CC[NH3+])c1coc2ccccc12 259511444 573567164 /nfs/dbraw/zinc/56/71/64/573567164.db2.gz VDIJZJYQMKEDPE-SNVBAGLBSA-N 1 1 190.246 1.781 10 0 ADAEMO CCC1C[NH+]([C@H](CN)[C@]2(C)C[C@H]2C)C1 714713853 573567165 /nfs/dbraw/zinc/56/71/65/573567165.db2.gz APAVQSQNJVXSTO-YUSALJHKSA-N 1 1 196.338 1.702 10 0 ADAEMO C[N@@H+]1Cc2ccc(CON)cc2C1 258064447 573567238 /nfs/dbraw/zinc/56/72/38/573567238.db2.gz TUBFDPVEZMXGPL-UHFFFAOYSA-N 1 1 178.235 1.022 10 0 ADAEMO C[N@H+]1Cc2ccc(CON)cc2C1 258064447 573567248 /nfs/dbraw/zinc/56/72/48/573567248.db2.gz TUBFDPVEZMXGPL-UHFFFAOYSA-N 1 1 178.235 1.022 10 0 ADAEMO CC[C@@H](CC[NH3+])[N@H+]1CC[C@@H]1C 86682293 573567339 /nfs/dbraw/zinc/56/73/39/573567339.db2.gz FBEXFBFXIAFDAY-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CNC(C)(C)[C@@H]([NH2+]C)c1cc[nH]c1 259512094 573567346 /nfs/dbraw/zinc/56/73/46/573567346.db2.gz SVCAJONAQQYLIF-VIFPVBQESA-N 1 1 181.283 1.273 10 0 ADAEMO CC[C@H]1C[N@@H+](C)CC[C@H]1C(=O)OC 257831136 573567383 /nfs/dbraw/zinc/56/73/83/573567383.db2.gz JNJRBTOAGKUCBC-DTWKUNHWSA-N 1 1 185.267 1.137 10 0 ADAEMO O=C1Nc2ccccc2C[N@@H+]2CC[C@@H]12 145245296 573567404 /nfs/dbraw/zinc/56/74/04/573567404.db2.gz SMLNEOMBMSQLPJ-JTQLQIEISA-N 1 1 188.230 1.213 10 0 ADAEMO O=C1Nc2ccccc2C[N@H+]2CC[C@@H]12 145245296 573567412 /nfs/dbraw/zinc/56/74/12/573567412.db2.gz SMLNEOMBMSQLPJ-JTQLQIEISA-N 1 1 188.230 1.213 10 0 ADAEMO CCCC[N@H+]1CCc2nc(N)oc2C1 258779468 573567804 /nfs/dbraw/zinc/56/78/04/573567804.db2.gz LUYGFDIQDDVIAU-UHFFFAOYSA-N 1 1 195.266 1.415 10 0 ADAEMO COC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H]1C(C)C 308624959 573567519 /nfs/dbraw/zinc/56/75/19/573567519.db2.gz VMXXMHSTZJIRRH-UTLUCORTSA-N 1 1 199.294 1.572 10 0 ADAEMO CC(C)CC(C)(C)C[NH2+]C[C@H](C)N 258792831 573575596 /nfs/dbraw/zinc/57/55/96/573575596.db2.gz QLCJKKODQQEMPU-JTQLQIEISA-N 1 1 186.343 1.996 10 0 ADAEMO C[C@H](C1CCCCC1)[NH+]1CC(N)C1 83634699 573575599 /nfs/dbraw/zinc/57/55/99/573575599.db2.gz WRMOKJFIRBKREP-SECBINFHSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@H](C(C)C)[NH+]1CC(N)C1 83634386 573575610 /nfs/dbraw/zinc/57/56/10/573575610.db2.gz GMYXOULRBRKLJJ-SECBINFHSA-N 1 1 156.273 1.064 10 0 ADAEMO CCc1nc(CCC(C)(C)[NH3+])[nH]c1C 258794806 573574930 /nfs/dbraw/zinc/57/49/30/573574930.db2.gz WBKUMSTWKVKQBF-UHFFFAOYSA-N 1 1 195.310 1.950 10 0 ADAEMO CCc1[nH]c(CCC(C)(C)[NH3+])nc1C 258794806 573574934 /nfs/dbraw/zinc/57/49/34/573574934.db2.gz WBKUMSTWKVKQBF-UHFFFAOYSA-N 1 1 195.310 1.950 10 0 ADAEMO C[N@@H+]1CC[C@@](F)(c2cccc(O)c2)C1 257829754 573574971 /nfs/dbraw/zinc/57/49/71/573574971.db2.gz IVMLSEXECXAJMN-NSHDSACASA-N 1 1 195.237 1.893 10 0 ADAEMO C[N@H+]1CC[C@@](F)(c2cccc(O)c2)C1 257829754 573574977 /nfs/dbraw/zinc/57/49/77/573574977.db2.gz IVMLSEXECXAJMN-NSHDSACASA-N 1 1 195.237 1.893 10 0 ADAEMO C[C@@H](C1CCCC1)[NH+]1CC(N)C1 83634614 573574986 /nfs/dbraw/zinc/57/49/86/573574986.db2.gz PVOVXOBBGMKCHM-QMMMGPOBSA-N 1 1 168.284 1.208 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1C[C@@H]1NCCO1 258065543 573575017 /nfs/dbraw/zinc/57/50/17/573575017.db2.gz GWCQNWJXIJBIFH-WDEREUQCSA-N 1 1 198.310 1.195 10 0 ADAEMO NC1C[NH+]([C@@H]2CCC[C@H](C3CC3)C2)C1 83634118 573575076 /nfs/dbraw/zinc/57/50/76/573575076.db2.gz FQVPKDKXYUSUEO-CMPLNLGQSA-N 1 1 194.322 1.598 10 0 ADAEMO C[C@@H]1CCCC[C@@H]1[NH+]1CC(N)C1 83634023 573575096 /nfs/dbraw/zinc/57/50/96/573575096.db2.gz WEGWLGHRRWCRSM-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO NC1C[NH+](C2CCCCCC2)C1 83634407 573575109 /nfs/dbraw/zinc/57/51/09/573575109.db2.gz NUVNKIRKAILXCS-UHFFFAOYSA-N 1 1 168.284 1.352 10 0 ADAEMO NC1C[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)C1 83634120 573575136 /nfs/dbraw/zinc/57/51/36/573575136.db2.gz FQVPKDKXYUSUEO-ZYHUDNBSSA-N 1 1 194.322 1.598 10 0 ADAEMO CC[N@H+]1C[C@@H](CCO)CC1(C)C 259515727 573575166 /nfs/dbraw/zinc/57/51/66/573575166.db2.gz UVOHFGMYXZCWGU-VIFPVBQESA-N 1 1 171.284 1.489 10 0 ADAEMO C[NH2+]C1(Cc2nc[nH]n2)CCCCC1 83632442 573575193 /nfs/dbraw/zinc/57/51/93/573575193.db2.gz SRCZSPUDQLWWGX-UHFFFAOYSA-N 1 1 194.282 1.270 10 0 ADAEMO C[C@H]1CC[C@@H](C)C[C@H]1[NH+]1CC(N)C1 83634711 573575223 /nfs/dbraw/zinc/57/52/23/573575223.db2.gz WKMPUCYAAYQHLQ-WCABBAIRSA-N 1 1 182.311 1.454 10 0 ADAEMO Cc1[nH+]c(N)[nH]c1Cc1cccs1 258789379 573575241 /nfs/dbraw/zinc/57/52/41/573575241.db2.gz MKGWBKNALKOYIW-UHFFFAOYSA-N 1 1 193.275 1.953 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1C[C@@H]1NCCO1 258065520 573575245 /nfs/dbraw/zinc/57/52/45/573575245.db2.gz GWCQNWJXIJBIFH-GHMZBOCLSA-N 1 1 198.310 1.195 10 0 ADAEMO C[N@@H+]1CC[C@](F)(c2cccc(O)c2)C1 257829753 573575251 /nfs/dbraw/zinc/57/52/51/573575251.db2.gz IVMLSEXECXAJMN-LLVKDONJSA-N 1 1 195.237 1.893 10 0 ADAEMO C[N@H+]1CC[C@](F)(c2cccc(O)c2)C1 257829753 573575256 /nfs/dbraw/zinc/57/52/56/573575256.db2.gz IVMLSEXECXAJMN-LLVKDONJSA-N 1 1 195.237 1.893 10 0 ADAEMO Cc1nc(C[C@@H](C)C[NH3+])[nH]c1C 258786547 573575264 /nfs/dbraw/zinc/57/52/64/573575264.db2.gz VJPFWKRTSLGZLV-ZCFIWIBFSA-N 1 1 167.256 1.164 10 0 ADAEMO C[C@@H]1CC[C@H]([NH+]2CC(N)C2)[C@H](C)C1 83634931 573575272 /nfs/dbraw/zinc/57/52/72/573575272.db2.gz HGAIVSMRCCHWMC-KKZNHRDASA-N 1 1 182.311 1.454 10 0 ADAEMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)[NH2+]1 257832402 573575285 /nfs/dbraw/zinc/57/52/85/573575285.db2.gz JSFCYODCAFMQNC-UWVGGRQHSA-N 1 1 197.278 1.470 10 0 ADAEMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)[NH2+]1 257832406 573575295 /nfs/dbraw/zinc/57/52/95/573575295.db2.gz JSFCYODCAFMQNC-ZJUUUORDSA-N 1 1 197.278 1.470 10 0 ADAEMO CCCC[C@@]1(CO)CC[N@@H+](C)C1 258789466 573575302 /nfs/dbraw/zinc/57/53/02/573575302.db2.gz MMFALVUUCLOZSA-SNVBAGLBSA-N 1 1 171.284 1.491 10 0 ADAEMO CCCc1[nH]c(C2([NH3+])CC2)nc1C 258792052 573575318 /nfs/dbraw/zinc/57/53/18/573575318.db2.gz VVVXFOXUECXOHG-UHFFFAOYSA-N 1 1 179.267 1.618 10 0 ADAEMO COC(=O)C[C@@H]1CC[C@@H](C)CC[N@H+]1C 259515109 573575360 /nfs/dbraw/zinc/57/53/60/573575360.db2.gz CKJPROOSCDIMDI-ZJUUUORDSA-N 1 1 199.294 1.670 10 0 ADAEMO CCCc1nc(CC[C@H](C)[NH3+])[nH]c1C 258786515 573575377 /nfs/dbraw/zinc/57/53/77/573575377.db2.gz VIYAVUCJSLZNBF-QMMMGPOBSA-N 1 1 195.310 1.950 10 0 ADAEMO CCCc1[nH]c(CC[C@H](C)[NH3+])nc1C 258786515 573575379 /nfs/dbraw/zinc/57/53/79/573575379.db2.gz VIYAVUCJSLZNBF-QMMMGPOBSA-N 1 1 195.310 1.950 10 0 ADAEMO C[NH2+][C@H]1CCN(C)CC12CCC2 107404552 573575433 /nfs/dbraw/zinc/57/54/33/573575433.db2.gz PQWIDTMKIDHMIZ-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO COc1cccc2c1CC[NH+]=C2 145277614 573575486 /nfs/dbraw/zinc/57/54/86/573575486.db2.gz TUUXVCRBLRRQDM-UHFFFAOYSA-N 1 1 161.204 1.670 10 0 in-vitro ADAEMO O[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H](F)C1 689908674 573589265 /nfs/dbraw/zinc/58/92/65/573589265.db2.gz JPRGGRMEJKJBCS-LPEHRKFASA-N 1 1 187.258 1.334 10 0 ADAEMO CC(C)C[N@H+]1CCC(C)(C)[C@H](CO)C1 259117499 573589288 /nfs/dbraw/zinc/58/92/88/573589288.db2.gz BWIXSOTWJXBFTB-NSHDSACASA-N 1 1 199.338 1.983 10 0 ADAEMO CC1(C)CO[C@@](C)([C@H]2CCC[NH2+]C2)N1 258813533 573589340 /nfs/dbraw/zinc/58/93/40/573589340.db2.gz YLPSLIJNNVCRKB-ONGXEEELSA-N 1 1 198.310 1.101 10 0 ADAEMO COC[C@@H](C)C[N@@H+](C)CC[C@@H](C)F 308404636 573588766 /nfs/dbraw/zinc/58/87/66/573588766.db2.gz JBYUPHKMIOAQOY-VHSXEESVSA-N 1 1 191.290 1.949 10 0 ADAEMO CNCC[N@@H+]1CCCC(C)(C)CC1 83680435 573588890 /nfs/dbraw/zinc/58/88/90/573588890.db2.gz ZRWQHKSPWOWHGB-UHFFFAOYSA-N 1 1 184.327 1.718 10 0 ADAEMO CNCC[N@H+]1CCCC(C)(C)CC1 83680435 573588895 /nfs/dbraw/zinc/58/88/95/573588895.db2.gz ZRWQHKSPWOWHGB-UHFFFAOYSA-N 1 1 184.327 1.718 10 0 ADAEMO CC(C)C[C@@H]1C[N@H+]2CCC[C@H]2CN1 82394881 573588901 /nfs/dbraw/zinc/58/89/01/573588901.db2.gz CLNMUPYECOXNEZ-MNOVXSKESA-N 1 1 182.311 1.469 10 0 ADAEMO O[C@H]1C[N@@H+](CCCCF)CC12CC2 308404414 573588936 /nfs/dbraw/zinc/58/89/36/573588936.db2.gz KVHSPPOGISTYTB-VIFPVBQESA-N 1 1 187.258 1.193 10 0 ADAEMO CC(C)C[C@@H](N)[C@@H]1CCCC[NH2+]1 259521685 573588949 /nfs/dbraw/zinc/58/89/49/573588949.db2.gz VVBVGIAPTDQXOE-ZJUUUORDSA-N 1 1 170.300 1.502 10 0 ADAEMO Cc1cc([C@H]2CCC[N@@H+](C)C2)n(C)n1 259117765 573589049 /nfs/dbraw/zinc/58/90/49/573589049.db2.gz RPJIBTJFJVVLJU-JTQLQIEISA-N 1 1 193.294 1.538 10 0 ADAEMO CC(C)C[C@H](N)[C@@H]1CCCC[NH2+]1 259521682 573589202 /nfs/dbraw/zinc/58/92/02/573589202.db2.gz VVBVGIAPTDQXOE-UWVGGRQHSA-N 1 1 170.300 1.502 10 0 ADAEMO Cc1ccc(N[C@H]2C[C@@H](O)C2)[nH+]c1 144473684 573589216 /nfs/dbraw/zinc/58/92/16/573589216.db2.gz LVHHYOYJIQIZLI-KYZUINATSA-N 1 1 178.235 1.325 10 0 ADAEMO CCC[C@@H](C(=O)OC1CC1)[NH+](C)C 308405802 573593478 /nfs/dbraw/zinc/59/34/78/573593478.db2.gz JPBWBTJLHKTLDA-VIFPVBQESA-N 1 1 185.267 1.422 10 0 ADAEMO CC[C@@H](F)C[N@@H+](C)C1(CO)CCC1 308405678 573593487 /nfs/dbraw/zinc/59/34/87/573593487.db2.gz LNQBDOHBPKNSNO-SECBINFHSA-N 1 1 189.274 1.581 10 0 ADAEMO C[C@H]1C[C@@H](CCO)CC[N@H+]1C 144488717 573593490 /nfs/dbraw/zinc/59/34/90/573593490.db2.gz KNKRSHUAKMXBDO-DTWKUNHWSA-N 1 1 157.257 1.099 10 0 ADAEMO Cc1ccc([C@@H]2[NH2+]CC(C)(C)O2)o1 258813017 573593512 /nfs/dbraw/zinc/59/35/12/573593512.db2.gz YKTYPRWYLPUYPM-SECBINFHSA-N 1 1 181.235 1.985 10 0 ADAEMO C/C=C/C[N@@H+](C)[C@H](CC)C(=O)OC 308405381 573593579 /nfs/dbraw/zinc/59/35/79/573593579.db2.gz JJGBMHLLVSSYJH-VPIOIWJLSA-N 1 1 185.267 1.446 10 0 ADAEMO C/C=C/C[N@H+](C)[C@H](CC)C(=O)OC 308405381 573593584 /nfs/dbraw/zinc/59/35/84/573593584.db2.gz JJGBMHLLVSSYJH-VPIOIWJLSA-N 1 1 185.267 1.446 10 0 ADAEMO C/C=C/C[N@H+](C)[C@@H](CC)C(=O)OC 308405378 573592831 /nfs/dbraw/zinc/59/28/31/573592831.db2.gz JJGBMHLLVSSYJH-IWGCBNPKSA-N 1 1 185.267 1.446 10 0 ADAEMO CC[C@H](F)C[N@@H+](C)C1(CO)CCC1 308405679 573592869 /nfs/dbraw/zinc/59/28/69/573592869.db2.gz LNQBDOHBPKNSNO-VIFPVBQESA-N 1 1 189.274 1.581 10 0 ADAEMO C[C@@H]1CN(C)C[C@@H]2CCCC[C@@H]2[NH2+]1 82394836 573592952 /nfs/dbraw/zinc/59/29/52/573592952.db2.gz WFDHDDXEXFYNDK-VWYCJHECSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@](C)(N)C[NH2+]C(C)C 78724430 573592985 /nfs/dbraw/zinc/59/29/85/573592985.db2.gz APFJLGSHVRYWGE-QMMMGPOBSA-N 1 1 144.262 1.112 10 0 ADAEMO CC(C)C[C@@H](N)[C@H]1CCCC[NH2+]1 259521679 573593058 /nfs/dbraw/zinc/59/30/58/573593058.db2.gz VVBVGIAPTDQXOE-NXEZZACHSA-N 1 1 170.300 1.502 10 0 ADAEMO C[C@@H]([NH3+])Cc1[nH]nc2cccc(F)c12 107424419 573593117 /nfs/dbraw/zinc/59/31/17/573593117.db2.gz OIOVQYQSMCOXFM-ZCFIWIBFSA-N 1 1 193.225 1.592 10 0 ADAEMO CCCc1[nH]c(CC(C)(C)[NH3+])nc1C 258809154 573593391 /nfs/dbraw/zinc/59/33/91/573593391.db2.gz XOKATBLELDGHBZ-UHFFFAOYSA-N 1 1 195.310 1.950 10 0 ADAEMO COC(=O)CC[C@@H]1CCCC[N@@H+](C)C1 259520694 573597019 /nfs/dbraw/zinc/59/70/19/573597019.db2.gz DDPKGVFBUVISON-JTQLQIEISA-N 1 1 199.294 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Cc1ccsc1[C@H](N)C1(C[NH3+])CC1 259530743 573617368 /nfs/dbraw/zinc/61/73/68/573617368.db2.gz STOVNNADVTUELC-VIFPVBQESA-N 1 1 196.319 1.795 10 0 ADAEMO CCCCCc1nnc(C[NH2+]C)o1 50615376 573616593 /nfs/dbraw/zinc/61/65/93/573616593.db2.gz BRNIRIKEEBZJIN-UHFFFAOYSA-N 1 1 183.255 1.522 10 0 ADAEMO CC[C@H](C)c1nnc(C[NH2+]C)o1 50615392 573617387 /nfs/dbraw/zinc/61/73/87/573617387.db2.gz LEHIRYBJQYVUMY-LURJTMIESA-N 1 1 169.228 1.303 10 0 ADAEMO CCC[N@H+]1CC[C@@](C)(CO)C1 107455959 573616706 /nfs/dbraw/zinc/61/67/06/573616706.db2.gz CRRHOVVPKYNBIN-SECBINFHSA-N 1 1 157.257 1.101 10 0 ADAEMO CC(C)c1nnc(C[NH2+]C2CC2)o1 50616232 573616766 /nfs/dbraw/zinc/61/67/66/573616766.db2.gz DALQCQNXTREIOA-UHFFFAOYSA-N 1 1 181.239 1.445 10 0 ADAEMO [NH3+][C@H](CC1CCCC1)c1nc[nH]n1 83746184 573616874 /nfs/dbraw/zinc/61/68/74/573616874.db2.gz QKBNWDKAFPGAPD-MRVPVSSYSA-N 1 1 180.255 1.385 10 0 ADAEMO [NH3+][C@H](Cc1cccs1)c1nc[nH]n1 83746135 573616955 /nfs/dbraw/zinc/61/69/55/573616955.db2.gz 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10 0 ADAEMO C[C@@H]1NCC[N@@H+](C)[C@H]1c1ccccc1 107462262 573622120 /nfs/dbraw/zinc/62/21/20/573622120.db2.gz VSTYDVWWDQARQI-CMPLNLGQSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@@H]1CCCC[N@@H+]1C[C@@H](F)CN 238451554 573622133 /nfs/dbraw/zinc/62/21/33/573622133.db2.gz ARNUCGDWZGHCNS-BDAKNGLRSA-N 1 1 174.263 1.158 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1C[C@@H](F)CN 238451554 573622138 /nfs/dbraw/zinc/62/21/38/573622138.db2.gz ARNUCGDWZGHCNS-BDAKNGLRSA-N 1 1 174.263 1.158 10 0 ADAEMO CNCC(F)(F)C[C@@H]1CC[N@@H+](C)C1 257834145 573622228 /nfs/dbraw/zinc/62/22/28/573622228.db2.gz KHPJRQLHHRCDIJ-QMMMGPOBSA-N 1 1 192.253 1.183 10 0 ADAEMO CCOC(=O)[C@@H]1C[C@H](C)CC[N@@H+](C)C1 259532260 573625249 /nfs/dbraw/zinc/62/52/49/573625249.db2.gz FJWAIAUUWYAUFQ-NXEZZACHSA-N 1 1 199.294 1.527 10 0 ADAEMO CN[C@@H](c1ccc(C)c(C)c1)[C@H](C)[NH3+] 259530819 573625299 /nfs/dbraw/zinc/62/52/99/573625299.db2.gz STYACUSSGXYOJR-CMPLNLGQSA-N 1 1 192.306 1.911 10 0 ADAEMO NC1([C@H]([NH3+])c2ccccc2F)CC1 259530938 573625368 /nfs/dbraw/zinc/62/53/68/573625368.db2.gz SUSCQWLECDCHQO-SECBINFHSA-N 1 1 180.226 1.317 10 0 ADAEMO CC[C@H](CN)[NH2+]Cc1ccccc1 83764322 573625425 /nfs/dbraw/zinc/62/54/25/573625425.db2.gz UWLKYYKAXXSOJN-LLVKDONJSA-N 1 1 178.279 1.514 10 0 ADAEMO Cc1nc(C)c(C[C@@H]2CC[NH2+]C2)[nH]1 257834221 573625448 /nfs/dbraw/zinc/62/54/48/573625448.db2.gz KQHJLDJKLAUNOY-VIFPVBQESA-N 1 1 179.267 1.179 10 0 ADAEMO Cc1nc(C)c(C[C@H]2CC[NH2+]C2)[nH]1 257834218 573625530 /nfs/dbraw/zinc/62/55/30/573625530.db2.gz KQHJLDJKLAUNOY-SECBINFHSA-N 1 1 179.267 1.179 10 0 ADAEMO CCc1nc(N)oc1[C@@H]1CC[N@@H+](C)C1 259132551 573625594 /nfs/dbraw/zinc/62/55/94/573625594.db2.gz LWEYDRCCRVJSOO-SSDOTTSWSA-N 1 1 195.266 1.238 10 0 ADAEMO CCc1ccc([C@H](N)CC[NH2+]C)cc1 259132997 573625647 /nfs/dbraw/zinc/62/56/47/573625647.db2.gz CLOZUXWGULDNQN-GFCCVEGCSA-N 1 1 192.306 1.858 10 0 ADAEMO CSCC(C)(C)[NH+]1CCNCC1 259133245 573625674 /nfs/dbraw/zinc/62/56/74/573625674.db2.gz DBVOVGFJUCVNQX-UHFFFAOYSA-N 1 1 188.340 1.033 10 0 ADAEMO C[C@H]1CCC[C@@H]2CC[N@@H+]12 238453356 573625692 /nfs/dbraw/zinc/62/56/92/573625692.db2.gz CIDOSNPDIRLAMB-JGVFFNPUSA-N 1 1 125.215 1.633 10 0 ADAEMO NC[C@H]([NH3+])c1coc2ccccc12 96554620 573625719 /nfs/dbraw/zinc/62/57/19/573625719.db2.gz SKZMFDYTRSUHHD-VIFPVBQESA-N 1 1 176.219 1.391 10 0 ADAEMO CCc1nc(N)oc1[C@H]1CC[N@@H+](C)C1 259132555 573625732 /nfs/dbraw/zinc/62/57/32/573625732.db2.gz LWEYDRCCRVJSOO-ZETCQYMHSA-N 1 1 195.266 1.238 10 0 ADAEMO C[NH2+]C1(C(=O)OC2CCC2)CCCC1 308659500 573625750 /nfs/dbraw/zinc/62/57/50/573625750.db2.gz PANKTCUMRWMPMR-UHFFFAOYSA-N 1 1 197.278 1.614 10 0 ADAEMO C[C@@]([NH3+])(CN)c1ccc(F)c(F)c1 259133350 573625915 /nfs/dbraw/zinc/62/59/15/573625915.db2.gz SQPWHMPGANPZTE-SECBINFHSA-N 1 1 186.205 1.097 10 0 ADAEMO Cc1cnc([C@H]2CC[C@@H](CO)C[NH2+]2)o1 107463859 573627062 /nfs/dbraw/zinc/62/70/62/573627062.db2.gz NMNRHUWARFAYAY-RKDXNWHRSA-N 1 1 196.250 1.016 10 0 ADAEMO C[C@@H]([NH2+]C[C@@H]1CCN(C)C1)C1CCC1 308659778 573627236 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QVVVNJYNVGUNEX-JGVFFNPUSA-N 1 1 194.282 1.210 10 0 ADAEMO N[C@@H]1CCC[C@H]1[NH2+]CCc1cc[nH]c1 258826425 573636101 /nfs/dbraw/zinc/63/61/01/573636101.db2.gz DCBBRYRQUJBRFS-GHMZBOCLSA-N 1 1 193.294 1.027 10 0 ADAEMO CC[NH2+][C@H](C)c1nnc(CC)o1 50618885 573636200 /nfs/dbraw/zinc/63/62/00/573636200.db2.gz JWMNEWZLPNXWBB-ZCFIWIBFSA-N 1 1 169.228 1.303 10 0 ADAEMO Nc1c(Cl)cccc1C(=O)C[NH3+] 257834923 573636202 /nfs/dbraw/zinc/63/62/02/573636202.db2.gz KUCKEPNVDSRMKN-UHFFFAOYSA-N 1 1 184.626 1.064 10 0 ADAEMO CC[NH2+][C@@H](C)c1nnc([C@H]2C[C@@H]2C)o1 50618841 573636256 /nfs/dbraw/zinc/63/62/56/573636256.db2.gz RVWMQTSDLADIFO-FXQIFTODSA-N 1 1 195.266 1.864 10 0 ADAEMO CCCc1[nH]c([C@H]2CC[NH2+]C2)nc1C 258504769 573636296 /nfs/dbraw/zinc/63/62/96/573636296.db2.gz FKLWMMMKNMYQBB-VIFPVBQESA-N 1 1 193.294 1.748 10 0 ADAEMO C[N@H+]1CC[C@@H](CC(C)(C)O)C1 259145357 573636325 /nfs/dbraw/zinc/63/63/25/573636325.db2.gz NPHPRKOBSAMVSX-QMMMGPOBSA-N 1 1 157.257 1.099 10 0 ADAEMO CC[NH2+][C@@H](C)c1nnc(COCC)o1 50618929 573636490 /nfs/dbraw/zinc/63/64/90/573636490.db2.gz QXDLXWZZPWKEIJ-ZETCQYMHSA-N 1 1 199.254 1.277 10 0 ADAEMO CC[NH2+][C@H](C)c1nnc(CC(C)C)o1 50618912 573636517 /nfs/dbraw/zinc/63/65/17/573636517.db2.gz ANKNTQZNPSJZLZ-MRVPVSSYSA-N 1 1 197.282 1.939 10 0 ADAEMO C[NH2+][C@@H](C1CCCCC1)C1(N)CC1 259146712 573636520 /nfs/dbraw/zinc/63/65/20/573636520.db2.gz HWVRKVOEBSXFBD-JTQLQIEISA-N 1 1 182.311 1.646 10 0 ADAEMO CC(C)[N@@H+](C)C(C)(C)CCO 258826030 573637240 /nfs/dbraw/zinc/63/72/40/573637240.db2.gz LXKJJVWHTMQAPN-UHFFFAOYSA-N 1 1 159.273 1.488 10 0 ADAEMO CC[C@@H]1CC[C@@H](c2noc(C[NH3+])n2)C1 83791513 573637298 /nfs/dbraw/zinc/63/72/98/573637298.db2.gz DGOXOAXHRMPXJA-HTQZYQBOSA-N 1 1 195.266 1.822 10 0 ADAEMO Oc1c(F)cc(C[NH2+]C2CC2)cc1F 86831005 573637384 /nfs/dbraw/zinc/63/73/84/573637384.db2.gz PKLNRGGETMUDSY-UHFFFAOYSA-N 1 1 199.200 1.922 10 0 ADAEMO CN[C@H]1C[N@@H+](C(C)(C)C)C(C)(C)C1 259537909 573637397 /nfs/dbraw/zinc/63/73/97/573637397.db2.gz WLTSFRVEVQRQCK-SECBINFHSA-N 1 1 184.327 1.857 10 0 ADAEMO C[NH2+][C@H]1CN(C(C)(C)C)C(C)(C)C1 259537909 573637404 /nfs/dbraw/zinc/63/74/04/573637404.db2.gz WLTSFRVEVQRQCK-SECBINFHSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@H]1C[N@@H+](C)CC2=C1CC(=O)C2 238460534 573637460 /nfs/dbraw/zinc/63/74/60/573637460.db2.gz YTRCCPDLJGWRQO-ZETCQYMHSA-N 1 1 165.236 1.227 10 0 ADAEMO C[N@H+]1CC[C@H](CC(C)(C)O)C1 259145355 573637506 /nfs/dbraw/zinc/63/75/06/573637506.db2.gz NPHPRKOBSAMVSX-MRVPVSSYSA-N 1 1 157.257 1.099 10 0 ADAEMO C[C@]1(O)CCC[N@H+]2CCCC=C21 238460396 573637550 /nfs/dbraw/zinc/63/75/50/573637550.db2.gz AKEBZFDBKDSFNN-JTQLQIEISA-N 1 1 167.252 1.511 10 0 ADAEMO CC(C)=C[C@@H]1NCC[NH2+][C@@H]1C=C(C)C 75597208 573637571 /nfs/dbraw/zinc/63/75/71/573637571.db2.gz LAZWTQBRBSMNMI-TXEJJXNPSA-N 1 1 194.322 1.849 10 0 ADAEMO CC[NH2+][C@@H](C)c1nnc(CC)o1 50618886 573637597 /nfs/dbraw/zinc/63/75/97/573637597.db2.gz JWMNEWZLPNXWBB-LURJTMIESA-N 1 1 169.228 1.303 10 0 ADAEMO C[N@@H+](CO)CCC(C)(C)C 258827441 573637634 /nfs/dbraw/zinc/63/76/34/573637634.db2.gz AWKPUPSTYWLPCS-UHFFFAOYSA-N 1 1 145.246 1.304 10 0 ADAEMO CCCc1cn2c([nH+]1)CC[C@H](O)C2 258412909 573637685 /nfs/dbraw/zinc/63/76/85/573637685.db2.gz OCCBXNOERUISJO-VIFPVBQESA-N 1 1 180.251 1.143 10 0 ADAEMO [NH3+]CC(=O)OC1CCC(F)(F)CC1 221636297 573637722 /nfs/dbraw/zinc/63/77/22/573637722.db2.gz BXCYABFFFGUSMA-UHFFFAOYSA-N 1 1 193.193 1.066 10 0 ADAEMO CC1(C)C[C@@H](N)C[N@H+]1CC1CCCC1 258827504 573637814 /nfs/dbraw/zinc/63/78/14/573637814.db2.gz OYZCLKUPVYWHMP-LLVKDONJSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@@H+]1CC[C@@H](C2CCCCC2)[C@@H]1C[NH3+] 257845728 573637822 /nfs/dbraw/zinc/63/78/22/573637822.db2.gz NMOOOQPGUKECRZ-RYUDHWBXSA-N 1 1 196.338 1.846 10 0 ADAEMO CN1CC[C@@H](C2CCCCC2)[C@@H]1C[NH3+] 257845728 573637829 /nfs/dbraw/zinc/63/78/29/573637829.db2.gz NMOOOQPGUKECRZ-RYUDHWBXSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@@H]1C(=O)CC2=C1C[N@@H+](C)C[C@@H]2C 238460565 573637900 /nfs/dbraw/zinc/63/79/00/573637900.db2.gz HDKNDVSJYVLCHG-YUMQZZPRSA-N 1 1 179.263 1.473 10 0 ADAEMO CCOc1cc[nH+]cc1C[C@H](C)CO 308652504 573640245 /nfs/dbraw/zinc/64/02/45/573640245.db2.gz LEMCOWHHMJVFAP-VIFPVBQESA-N 1 1 195.262 1.651 10 0 ADAEMO CC[C@H]1CC[C@@H](c2noc(C[NH3+])n2)C1 83791515 573640257 /nfs/dbraw/zinc/64/02/57/573640257.db2.gz DGOXOAXHRMPXJA-JGVFFNPUSA-N 1 1 195.266 1.822 10 0 ADAEMO CNC(C)(C)[C@H](CC(C)C)[NH2+]C 259148417 573640270 /nfs/dbraw/zinc/64/02/70/573640270.db2.gz CJWMIOHYJSZZFZ-VIFPVBQESA-N 1 1 172.316 1.619 10 0 ADAEMO C[C@H]1[C@H](CCCO)CC[N@H+]1C 238461609 573640317 /nfs/dbraw/zinc/64/03/17/573640317.db2.gz AGFCKAHUTYTBSH-DTWKUNHWSA-N 1 1 157.257 1.099 10 0 ADAEMO CCCCN1CC[C@H]([NH2+]C)C1(C)C 259536418 573640372 /nfs/dbraw/zinc/64/03/72/573640372.db2.gz WHNMCRNBVUPWQW-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO NC[C@]1(F)CC[N@@H+](C2CCCC2)C1 259538718 573640441 /nfs/dbraw/zinc/64/04/41/573640441.db2.gz BQNGPRMYDSLRGE-SNVBAGLBSA-N 1 1 186.274 1.302 10 0 ADAEMO CC(=O)CC[NH2+]CCCN1CCCC1 308652600 573640447 /nfs/dbraw/zinc/64/04/47/573640447.db2.gz LRLWLPRHUXACDA-UHFFFAOYSA-N 1 1 198.310 1.041 10 0 ADAEMO NC[C@]1(F)CC[N@H+](C2CCCC2)C1 259538718 573640449 /nfs/dbraw/zinc/64/04/49/573640449.db2.gz BQNGPRMYDSLRGE-SNVBAGLBSA-N 1 1 186.274 1.302 10 0 ADAEMO C[C@H]1[C@@H]2CCCC[N@@H+]2CC[C@H]1O 238461806 573640512 /nfs/dbraw/zinc/64/05/12/573640512.db2.gz VEAKXPNNIWDMNN-LPEHRKFASA-N 1 1 169.268 1.242 10 0 ADAEMO CCCc1cn2c([nH+]1)CC[C@@H](O)C2 258412905 573640521 /nfs/dbraw/zinc/64/05/21/573640521.db2.gz OCCBXNOERUISJO-SECBINFHSA-N 1 1 180.251 1.143 10 0 ADAEMO NC[C@@]1(F)CC[N@@H+](C2CCCC2)C1 259538709 573640549 /nfs/dbraw/zinc/64/05/49/573640549.db2.gz BQNGPRMYDSLRGE-JTQLQIEISA-N 1 1 186.274 1.302 10 0 ADAEMO NC[C@@]1(F)CC[N@H+](C2CCCC2)C1 259538709 573640556 /nfs/dbraw/zinc/64/05/56/573640556.db2.gz BQNGPRMYDSLRGE-JTQLQIEISA-N 1 1 186.274 1.302 10 0 ADAEMO CC(=O)C[C@]1(C)C[N@H+](C)C[C@@H]1C 238461530 573640559 /nfs/dbraw/zinc/64/05/59/573640559.db2.gz UDRNTQPBEDZINH-WCBMZHEXSA-N 1 1 169.268 1.553 10 0 ADAEMO CNc1ccc2nc([C@H](C)[NH3+])[nH]c2n1 86830748 573640561 /nfs/dbraw/zinc/64/05/61/573640561.db2.gz LOINKDFICAPECE-YFKPBYRVSA-N 1 1 191.238 1.019 10 0 ADAEMO CC(C)([NH3+])c1cnc(Cl)[nH]1 259538570 573640682 /nfs/dbraw/zinc/64/06/82/573640682.db2.gz BPTJZBDSGGQQDX-UHFFFAOYSA-N 1 1 159.620 1.257 10 0 ADAEMO CC(C)CC[N@H+]1C[C@H](O)CC1(C)C 258827905 573640686 /nfs/dbraw/zinc/64/06/86/573640686.db2.gz PCEQGJFCGLWJKB-SNVBAGLBSA-N 1 1 185.311 1.878 10 0 ADAEMO CC(C)[NH2+][C@@H](CN)c1cccc(O)c1 257845009 573640701 /nfs/dbraw/zinc/64/07/01/573640701.db2.gz NKEKALUCVXLZIU-NSHDSACASA-N 1 1 194.278 1.390 10 0 ADAEMO C[C@@H]1[C@H](O)CC[N@H+](C(C)(C)C)[C@@H]1C 238461737 573640804 /nfs/dbraw/zinc/64/08/04/573640804.db2.gz OQMKWBDADAQTDO-IVZWLZJFSA-N 1 1 185.311 1.876 10 0 ADAEMO C[NH2+]C(C)(C)c1nc([C@H]2C[C@@H]2C)no1 83805572 573643642 /nfs/dbraw/zinc/64/36/42/573643642.db2.gz PFQGPIHLPHEIHN-BQBZGAKWSA-N 1 1 195.266 1.648 10 0 ADAEMO COC(=O)[C@H]1CC[N@@H+](C)[C@@H](C(C)C)C1 257839223 573642908 /nfs/dbraw/zinc/64/29/08/573642908.db2.gz JKKJIVBMQAKMPU-VHSXEESVSA-N 1 1 199.294 1.526 10 0 ADAEMO C[C@H](CN)[N@@H+](C)C1CC(C(F)F)C1 308653962 573642940 /nfs/dbraw/zinc/64/29/40/573642940.db2.gz MTSDBXAEQXRBBS-JECWYVHBSA-N 1 1 192.253 1.309 10 0 ADAEMO C[C@H](C[NH3+])N(C)C1CC(C(F)F)C1 308653962 573642945 /nfs/dbraw/zinc/64/29/45/573642945.db2.gz MTSDBXAEQXRBBS-JECWYVHBSA-N 1 1 192.253 1.309 10 0 ADAEMO C[NH2+]C(C)(C)c1nc([C@@H]2C[C@@H]2C)no1 83805576 573642947 /nfs/dbraw/zinc/64/29/47/573642947.db2.gz PFQGPIHLPHEIHN-NKWVEPMBSA-N 1 1 195.266 1.648 10 0 ADAEMO C[C@@H](CN)[N@@H+](C)C1CC(C(F)F)C1 308653963 573642976 /nfs/dbraw/zinc/64/29/76/573642976.db2.gz MTSDBXAEQXRBBS-KKMMWDRVSA-N 1 1 192.253 1.309 10 0 ADAEMO C[C@@H](C[NH3+])N(C)C1CC(C(F)F)C1 308653963 573642981 /nfs/dbraw/zinc/64/29/81/573642981.db2.gz MTSDBXAEQXRBBS-KKMMWDRVSA-N 1 1 192.253 1.309 10 0 ADAEMO C[C@H]([NH3+])c1nc([C@H]2CCCN2C)co1 257839574 573643005 /nfs/dbraw/zinc/64/30/05/573643005.db2.gz BIAOKIHZGGDUKD-IONNQARKSA-N 1 1 195.266 1.461 10 0 ADAEMO C[NH2+][C@H](C)c1nc([C@H]2C[C@H]2C)no1 83805682 573643021 /nfs/dbraw/zinc/64/30/21/573643021.db2.gz UYUBEOPVSAMSDG-QYNIQEEDSA-N 1 1 181.239 1.473 10 0 ADAEMO CC(C)[C@@H]([NH3+])c1nc([C@@H]2C[C@H]2C)no1 83805232 573643239 /nfs/dbraw/zinc/64/32/39/573643239.db2.gz SQWMEZBNZJQAFC-BWZBUEFSSA-N 1 1 195.266 1.849 10 0 ADAEMO C[C@@H]1C[C@H]([C@H]2CCCN(C)C2)[NH2+]1 259149902 573643447 /nfs/dbraw/zinc/64/34/47/573643447.db2.gz KHDMGYNTDLNCEL-KXUCPTDWSA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)[C@@H]([NH3+])c1nc([C@H]2C[C@@H]2C)no1 83805231 573643451 /nfs/dbraw/zinc/64/34/51/573643451.db2.gz SQWMEZBNZJQAFC-BIIVOSGPSA-N 1 1 195.266 1.849 10 0 ADAEMO C[NH+](C)[C@@H]1CCCC(C)(C)[C@H]1N 86841956 573643516 /nfs/dbraw/zinc/64/35/16/573643516.db2.gz SWBHDUQYXKLXRF-BDAKNGLRSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C)[C@@H]1CCCC(C)(C)[C@H]1[NH3+] 86841956 573643524 /nfs/dbraw/zinc/64/35/24/573643524.db2.gz SWBHDUQYXKLXRF-BDAKNGLRSA-N 1 1 170.300 1.454 10 0 ADAEMO Cc1cc(CN[C@H](C)CCC[NH3+])no1 308654251 573647174 /nfs/dbraw/zinc/64/71/74/573647174.db2.gz MLOWKVWWMIHPLS-MRVPVSSYSA-N 1 1 197.282 1.200 10 0 ADAEMO CCS[C@H](C)C[NH+]1CCNCC1 259149660 573647348 /nfs/dbraw/zinc/64/73/48/573647348.db2.gz FMIQNKLERRQRJU-SECBINFHSA-N 1 1 188.340 1.033 10 0 ADAEMO CC[C@@H](C[NH3+])[C@@H](N)c1ccncc1 259539070 573647494 /nfs/dbraw/zinc/64/74/94/573647494.db2.gz TZJDJTXWKTZSJD-WCBMZHEXSA-N 1 1 179.267 1.066 10 0 ADAEMO CC[C@H](C[NH3+])[C@H](N)c1ccncc1 259539068 573647507 /nfs/dbraw/zinc/64/75/07/573647507.db2.gz TZJDJTXWKTZSJD-SCZZXKLOSA-N 1 1 179.267 1.066 10 0 ADAEMO Cc1c[nH+]c(N)c([C@H](O)[C@@H]2C[C@@H]2C)c1 83808008 573647514 /nfs/dbraw/zinc/64/75/14/573647514.db2.gz JYUSADGJBGDZNT-QXFUBDJGSA-N 1 1 192.262 1.662 10 0 ADAEMO Cc1cccc(C[NH2+]C[C@H](C)N)c1 258829242 573647541 /nfs/dbraw/zinc/64/75/41/573647541.db2.gz VCPZSHQCZFXDLV-JTQLQIEISA-N 1 1 178.279 1.432 10 0 ADAEMO Cc1[nH]c(NN)[nH+]c1-c1ccccc1 258829133 573647689 /nfs/dbraw/zinc/64/76/89/573647689.db2.gz ZJVWFOQBNPPYBK-UHFFFAOYSA-N 1 1 188.234 1.671 10 0 ADAEMO CC[C@H](F)C[N@@H+](C)CC1(CO)CC1 308410306 573647729 /nfs/dbraw/zinc/64/77/29/573647729.db2.gz LJPUKQYQOLFDCJ-VIFPVBQESA-N 1 1 189.274 1.439 10 0 ADAEMO Cc1cccc(C[NH2+]C[C@@H](C)N)c1 258829245 573647780 /nfs/dbraw/zinc/64/77/80/573647780.db2.gz VCPZSHQCZFXDLV-SNVBAGLBSA-N 1 1 178.279 1.432 10 0 ADAEMO CC(C)C[N@H+]1CCC[C@@H](O)C1(C)C 258831475 573647835 /nfs/dbraw/zinc/64/78/35/573647835.db2.gz PIKYLBYSMSPMRU-SNVBAGLBSA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@@H]1C[C@H]([C@@H]2CCCN(C)C2)[NH2+]1 259149904 573647916 /nfs/dbraw/zinc/64/79/16/573647916.db2.gz KHDMGYNTDLNCEL-OPRDCNLKSA-N 1 1 168.284 1.079 10 0 ADAEMO CN[C@@H](c1cccc(C)c1)C1C[NH2+]C1 259541229 573647924 /nfs/dbraw/zinc/64/79/24/573647924.db2.gz VHFWTCYOIDJMCH-LBPRGKRZSA-N 1 1 190.290 1.475 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@H]([NH3+])Cc1cnccc1N 83808354 573647934 /nfs/dbraw/zinc/64/79/34/573647934.db2.gz QLOVERMZWISSIL-POZPLHJXSA-N 1 1 191.278 1.190 10 0 ADAEMO c1cc(C[NH2+]C[C@H]2C[C@@H]2C2CC2)[nH]n1 393667641 573648667 /nfs/dbraw/zinc/64/86/67/573648667.db2.gz DZTFNIJCPHQSES-MWLCHTKSSA-N 1 1 191.278 1.545 10 0 ADAEMO Cc1c[nH+]c(N)c([C@H](O)[C@H]2C[C@@H]2C)c1 83808010 573648693 /nfs/dbraw/zinc/64/86/93/573648693.db2.gz JYUSADGJBGDZNT-OYNCUSHFSA-N 1 1 192.262 1.662 10 0 ADAEMO C[C@H](c1cc(C[NH3+])ccc1F)N(C)C 257839835 573648773 /nfs/dbraw/zinc/64/87/73/573648773.db2.gz LTUOGXFGCPTPHI-MRVPVSSYSA-N 1 1 196.269 1.907 10 0 ADAEMO c1n[nH]c(C[C@H]2CC[NH2+]C2)c1C1CC1 259541304 573648812 /nfs/dbraw/zinc/64/88/12/573648812.db2.gz BVUKYFMOJFHMHM-MRVPVSSYSA-N 1 1 191.278 1.439 10 0 ADAEMO C[NH2+][C@H](C)c1nncc(CC(C)C)n1 257840812 573648839 /nfs/dbraw/zinc/64/88/39/573648839.db2.gz MBVWHFQQQWKNKV-MRVPVSSYSA-N 1 1 194.282 1.351 10 0 ADAEMO CC1(C)CCCC[C@]12COC(N)=[NH+]2 86850398 573648887 /nfs/dbraw/zinc/64/88/87/573648887.db2.gz WCJUWKWKPPCEHW-JTQLQIEISA-N 1 1 182.267 1.670 10 0 ADAEMO C[C@H]1C[C@@H]2[NH2+]Cc3ccccc3N2C1 238465814 573648973 /nfs/dbraw/zinc/64/89/73/573648973.db2.gz GMSKESXCKBITIX-JOYOIKCWSA-N 1 1 188.274 1.962 10 0 ADAEMO Cc1cc(N)ncc1[C@@H]1CC[C@H]([NH3+])C1 238457821 573649184 /nfs/dbraw/zinc/64/91/84/573649184.db2.gz SADAKBKWJQRLQK-BDAKNGLRSA-N 1 1 191.278 1.567 10 0 ADAEMO Cc1[nH]c(C2CCC2)nc1C1C[NH2+]C1 257840302 573649193 /nfs/dbraw/zinc/64/91/93/573649193.db2.gz LWLKCESGXAQDBJ-UHFFFAOYSA-N 1 1 191.278 1.672 10 0 ADAEMO C[C@@H]1C[C@@H]([C@H]2CCCN(C)C2)[NH2+]1 259149907 573649279 /nfs/dbraw/zinc/64/92/79/573649279.db2.gz KHDMGYNTDLNCEL-UTLUCORTSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 257840325 573649327 /nfs/dbraw/zinc/64/93/27/573649327.db2.gz LXOYLKJNKVZWGM-SSDOTTSWSA-N 1 1 197.200 1.253 10 0 ADAEMO CC(C)C[N@H+]1CCC[C@H](O)C1(C)C 258831473 573649344 /nfs/dbraw/zinc/64/93/44/573649344.db2.gz PIKYLBYSMSPMRU-JTQLQIEISA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@H]1[N@H+]([C@@H]2CC[C@H]2O)CCOC1(C)C 687964192 573649376 /nfs/dbraw/zinc/64/93/76/573649376.db2.gz RXKYECKMPRNARV-OPRDCNLKSA-N 1 1 199.294 1.009 10 0 ADAEMO CC[C@@H](F)C[N@@H+](C)CC1(CO)CC1 308410302 573651561 /nfs/dbraw/zinc/65/15/61/573651561.db2.gz LJPUKQYQOLFDCJ-SECBINFHSA-N 1 1 189.274 1.439 10 0 ADAEMO C[N@H+]1C[C@@H](CO)[C@H](CC(C)(F)F)C1 259543325 573651680 /nfs/dbraw/zinc/65/16/80/573651680.db2.gz BZPQSYXJIGLVBO-SFYZADRCSA-N 1 1 193.237 1.202 10 0 ADAEMO Cc1cc[nH+]c(N)c1[C@H](O)[C@H]1C[C@@H]1C 83807546 573651681 /nfs/dbraw/zinc/65/16/81/573651681.db2.gz RKBTVXVYIHRDQH-OYNCUSHFSA-N 1 1 192.262 1.662 10 0 ADAEMO Cc1nc(C2CCC2)oc1C(=O)C[NH3+] 257840290 573651699 /nfs/dbraw/zinc/65/16/99/573651699.db2.gz LWBAENZCDSYXPD-UHFFFAOYSA-N 1 1 194.234 1.392 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@H](O)Cc1cc[nH+]c(N)c1 83807672 573651716 /nfs/dbraw/zinc/65/17/16/573651716.db2.gz YVUVUYLDJMFJLN-FKTZTGRPSA-N 1 1 192.262 1.223 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@@H]2OCC[C@@H]21 686248022 573651749 /nfs/dbraw/zinc/65/17/49/573651749.db2.gz FYFAXPQEPOXCIO-ZNRGBCAMSA-N 1 1 181.279 1.816 10 0 ADAEMO 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1.876 10 0 ADAEMO C[NH2+][C@@]1(C(=O)OC)CCCC1(C)C 86866232 573658615 /nfs/dbraw/zinc/65/86/15/573658615.db2.gz WMMXDKJVQJPMAZ-SNVBAGLBSA-N 1 1 185.267 1.328 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CCC(C)(C)[C@@H]2O)C1 86866269 573658650 /nfs/dbraw/zinc/65/86/50/573658650.db2.gz NPXMKMLPINZUOE-GMTAPVOTSA-N 1 1 197.322 1.878 10 0 ADAEMO Cc1cc(Cl)c2nc(C[NH3+])nn2c1 107830047 573658687 /nfs/dbraw/zinc/65/86/87/573658687.db2.gz YZBNVNVYRWIYAD-UHFFFAOYSA-N 1 1 196.641 1.150 10 0 ADAEMO Cc1[nH+]ccn1[C@H]1CCC(C)(C)[C@@H]1O 86866459 573658700 /nfs/dbraw/zinc/65/87/00/573658700.db2.gz NCVQWZQTJBLOTP-VHSXEESVSA-N 1 1 194.278 1.914 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@@]2(C)N[C@H](C)CO2)C1 258851533 573658729 /nfs/dbraw/zinc/65/87/29/573658729.db2.gz ZZESMNCFFHIPPJ-VWYCJHECSA-N 1 1 198.310 1.053 10 0 ADAEMO CC[C@H](C1CC1)[N@H+]1CCN[C@H](C)C1 83814067 573659137 /nfs/dbraw/zinc/65/91/37/573659137.db2.gz NJJBYGMVNJMPGW-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO Cc1ncc(C[NH3+])c(N)c1C(F)F 238472020 573659167 /nfs/dbraw/zinc/65/91/67/573659167.db2.gz MPHODWZQNFNBDH-UHFFFAOYSA-N 1 1 187.193 1.369 10 0 ADAEMO CC1(C)CCC[C@H]1N1CC[NH2+]CC1 86866658 573659188 /nfs/dbraw/zinc/65/91/88/573659188.db2.gz ZFNZBLQFPZOVLF-SNVBAGLBSA-N 1 1 182.311 1.470 10 0 ADAEMO Cc1nc2n(c1C)[C@H](C)[C@@H]([NH3+])CC2 107824972 573659204 /nfs/dbraw/zinc/65/92/04/573659204.db2.gz UFSQZCIWSMVQKQ-BDAKNGLRSA-N 1 1 179.267 1.334 10 0 ADAEMO N[C@H]1CCCC[C@H]1[NH2+]CC1CCC1 258849212 573659243 /nfs/dbraw/zinc/65/92/43/573659243.db2.gz FAEVVFGCOMUMBQ-WDEREUQCSA-N 1 1 182.311 1.646 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CCN[C@H](C)C2)C1 83813964 573659271 /nfs/dbraw/zinc/65/92/71/573659271.db2.gz LPUMIJSJBALAPA-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[C@H](N2CC[NH2+][C@H](C)C2)C1 83813964 573659273 /nfs/dbraw/zinc/65/92/73/573659273.db2.gz LPUMIJSJBALAPA-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO CC1(C)CCC[C@@H]1N1CC[NH2+]CC1 86866657 573659519 /nfs/dbraw/zinc/65/95/19/573659519.db2.gz ZFNZBLQFPZOVLF-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@@H]1CC[C@@H]([N@H+]2CCN[C@H](C)C2)C1 83813970 573659532 /nfs/dbraw/zinc/65/95/32/573659532.db2.gz IFQFDUGJWCDLBV-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1CC[C@@H](N2CC[NH2+][C@H](C)C2)C1 83813970 573659541 /nfs/dbraw/zinc/65/95/41/573659541.db2.gz IFQFDUGJWCDLBV-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@@H+](C)[C@]1(CN)CCCC1(C)C 86865593 573659697 /nfs/dbraw/zinc/65/96/97/573659697.db2.gz RIBXBLDJWWOQIU-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCN(C)[C@]1(C[NH3+])CCCC1(C)C 86865593 573659702 /nfs/dbraw/zinc/65/97/02/573659702.db2.gz RIBXBLDJWWOQIU-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+][C@]1(C(=O)OC)CCCC1(C)C 86866231 573659725 /nfs/dbraw/zinc/65/97/25/573659725.db2.gz WMMXDKJVQJPMAZ-JTQLQIEISA-N 1 1 185.267 1.328 10 0 ADAEMO Cc1[nH+]ccn1[C@@H]1CCC(C)(C)[C@@H]1O 86866458 573662685 /nfs/dbraw/zinc/66/26/85/573662685.db2.gz NCVQWZQTJBLOTP-NXEZZACHSA-N 1 1 194.278 1.914 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCC(C)(C)[C@@H]1O 86866194 573662790 /nfs/dbraw/zinc/66/27/90/573662790.db2.gz DXYYPSNLNIYWPP-NXEZZACHSA-N 1 1 183.295 1.630 10 0 ADAEMO Cc1[nH+]ccn1[C@@H]1CCC(C)(C)[C@H]1O 86866460 573662842 /nfs/dbraw/zinc/66/28/42/573662842.db2.gz NCVQWZQTJBLOTP-ZJUUUORDSA-N 1 1 194.278 1.914 10 0 ADAEMO C[NH+](C)[C@H](C(C)(C)C)C(C)(C)N 259545685 573662846 /nfs/dbraw/zinc/66/28/46/573662846.db2.gz OCEBCYQDVJPZPO-MRVPVSSYSA-N 1 1 172.316 1.700 10 0 ADAEMO Cc1ncc([C@@H](C)C[C@H](C)[NH3+])n1C 642817846 573662868 /nfs/dbraw/zinc/66/28/68/573662868.db2.gz KIGYTCQTZDXANI-YUMQZZPRSA-N 1 1 180.275 1.368 10 0 ADAEMO [NH3+]C/C=C/c1cc(O)ccc1C=O 258084400 573662902 /nfs/dbraw/zinc/66/29/02/573662902.db2.gz VYOQYMLOSYTRTJ-OWOJBTEDSA-N 1 1 177.203 1.177 10 0 ADAEMO CCCOCc1nnc([C@H](C)[NH3+])o1 233233860 573662903 /nfs/dbraw/zinc/66/29/03/573662903.db2.gz RSTNYGWGUNIHLX-LURJTMIESA-N 1 1 185.227 1.016 10 0 ADAEMO C[C@H]1CC[C@H]([N@H+]2CCN[C@H](C)C2)C1 83813965 573662905 /nfs/dbraw/zinc/66/29/05/573662905.db2.gz 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10 0 ADAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@@H](CO)C1 224482230 573690824 /nfs/dbraw/zinc/69/08/24/573690824.db2.gz VFAZDQHDANHWOO-VHSXEESVSA-N 1 1 199.294 1.058 10 0 ADAEMO COc1ccc([C@@H](N)CC[NH3+])cc1F 259163215 573690887 /nfs/dbraw/zinc/69/08/87/573690887.db2.gz DQGGHYNDQGHEIF-VIFPVBQESA-N 1 1 198.241 1.183 10 0 ADAEMO COc1ccccc1[C@@H](N)C[C@H](C)[NH3+] 259558552 573690943 /nfs/dbraw/zinc/69/09/43/573690943.db2.gz XXFBIFOODDUOKT-WPRPVWTQSA-N 1 1 194.278 1.432 10 0 ADAEMO CC(C)[C@@H](N)[C@@H]1CCCC[NH2+]1 259165629 573690960 /nfs/dbraw/zinc/69/09/60/573690960.db2.gz DRNBPHYNKLLAJI-DTWKUNHWSA-N 1 1 156.273 1.112 10 0 ADAEMO CCC[C@H](CN)[N@H+]1CC[C@H]2CCC[C@H]21 393550727 573691778 /nfs/dbraw/zinc/69/17/78/573691778.db2.gz JBTICGCHKYBOPY-IJLUTSLNSA-N 1 1 196.338 1.988 10 0 ADAEMO CCC[C@H](CN)[N@H+]1CC[C@H]2CCC[C@@H]21 393550733 573692425 /nfs/dbraw/zinc/69/24/25/573692425.db2.gz JBTICGCHKYBOPY-UTUOFQBUSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCc1[nH]c2c([nH+]1)C[C@H](O)CC2 258093635 573691830 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ADAEMO C[NH+](C)[C@@H](c1cc[nH]c1)C1(N)CC1 259161159 573692099 /nfs/dbraw/zinc/69/20/99/573692099.db2.gz LSHMLZBXVBRRJL-VIFPVBQESA-N 1 1 179.267 1.109 10 0 ADAEMO CC[C@@]1(C)CN(C)CC[N@H+]1C 259163438 573692133 /nfs/dbraw/zinc/69/21/33/573692133.db2.gz VSUBMHXDVPYJDH-VIFPVBQESA-N 1 1 156.273 1.032 10 0 ADAEMO CC[C@@]1(C)C[N@H+](C)CCN1C 259163438 573692139 /nfs/dbraw/zinc/69/21/39/573692139.db2.gz VSUBMHXDVPYJDH-VIFPVBQESA-N 1 1 156.273 1.032 10 0 ADAEMO CC[C@@]1(C)C[N@@H+](C)CCN1C 259163438 573692144 /nfs/dbraw/zinc/69/21/44/573692144.db2.gz VSUBMHXDVPYJDH-VIFPVBQESA-N 1 1 156.273 1.032 10 0 ADAEMO CC(C)[C@H](N)[C@H]1CCCC[NH2+]1 259165627 573693731 /nfs/dbraw/zinc/69/37/31/573693731.db2.gz DRNBPHYNKLLAJI-BDAKNGLRSA-N 1 1 156.273 1.112 10 0 ADAEMO [NH3+]Cc1nc([C@H]2CCCSC2)no1 258093631 573693025 /nfs/dbraw/zinc/69/30/25/573693025.db2.gz NESHSXRKRMZRSK-LURJTMIESA-N 1 1 199.279 1.139 10 0 ADAEMO C[N@@H+](Cc1cc[nH]c1)CC1(CO)CC1 258881783 573693090 /nfs/dbraw/zinc/69/30/90/573693090.db2.gz JAQNVLFMLKOXRA-UHFFFAOYSA-N 1 1 194.278 1.219 10 0 ADAEMO CCC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CO)C1 224482181 573693098 /nfs/dbraw/zinc/69/30/98/573693098.db2.gz VFAZDQHDANHWOO-NXEZZACHSA-N 1 1 199.294 1.058 10 0 ADAEMO Cc1cnc([C@@H](C)[NH2+][C@H](C)CF)cn1 308678209 573693227 /nfs/dbraw/zinc/69/32/27/573693227.db2.gz WTGYKYLZHJLNRB-VXNVDRBHSA-N 1 1 197.257 1.794 10 0 ADAEMO Cc1oc([C@H](C)[NH3+])nc1[C@@H]1CCCO1 258093791 573693335 /nfs/dbraw/zinc/69/33/35/573693335.db2.gz NGVXEIPPAXWREP-XPUUQOCRSA-N 1 1 196.250 1.854 10 0 ADAEMO CCC[NH2+][C@@H](CCN(C)C)C1CC1 126806325 573693457 /nfs/dbraw/zinc/69/34/57/573693457.db2.gz JOKAFOXKUPJQMK-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CNOCCC[C@H]1CCC[N@H+]1C 258087842 573695082 /nfs/dbraw/zinc/69/50/82/573695082.db2.gz XBYULUZAUXMVNR-SECBINFHSA-N 1 1 172.272 1.012 10 0 ADAEMO CC(C)[C@@H](CO)C[N@@H+](C)CC1CCC1 258884209 573694585 /nfs/dbraw/zinc/69/45/85/573694585.db2.gz CJDVBBIYFUWFAH-GFCCVEGCSA-N 1 1 199.338 1.983 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)Cc1cnn[nH]1 393550348 573694604 /nfs/dbraw/zinc/69/46/04/573694604.db2.gz PRMPFECRCQIVLP-SSDOTTSWSA-N 1 1 180.255 1.035 10 0 ADAEMO C[C@H](C1CC1)[N@H+](C)Cc1c[nH]nn1 393550348 573694611 /nfs/dbraw/zinc/69/46/11/573694611.db2.gz PRMPFECRCQIVLP-SSDOTTSWSA-N 1 1 180.255 1.035 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)Cc1c[nH]nn1 393550348 573694617 /nfs/dbraw/zinc/69/46/17/573694617.db2.gz PRMPFECRCQIVLP-SSDOTTSWSA-N 1 1 180.255 1.035 10 0 ADAEMO CC[C@H](C)[N@@H+](C)C[C@@](C)(N)C1CC1 224925670 573694635 /nfs/dbraw/zinc/69/46/35/573694635.db2.gz ZKRTWPKSFBWCLR-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H](C)N(C)C[C@@](C)([NH3+])C1CC1 224925670 573694642 /nfs/dbraw/zinc/69/46/42/573694642.db2.gz ZKRTWPKSFBWCLR-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@H]([NH3+])CN(C)CCC1CC1 308418758 573694753 /nfs/dbraw/zinc/69/47/53/573694753.db2.gz RTNRWQNDGNRHSS-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H](N)C[N@H+](C)CCC1CC1 308418758 573694758 /nfs/dbraw/zinc/69/47/58/573694758.db2.gz RTNRWQNDGNRHSS-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H](N)C[N@@H+](C)CCC1CC1 308418758 573694763 /nfs/dbraw/zinc/69/47/63/573694763.db2.gz RTNRWQNDGNRHSS-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)(C)CN1CC[N@H+]2CCC[C@@H]2C1 86930859 573696814 /nfs/dbraw/zinc/69/68/14/573696814.db2.gz ZMLJLLGCNPXYLU-LLVKDONJSA-N 1 1 196.338 1.813 10 0 ADAEMO [NH3+][C@H]1CCC[N@@H+](CCC2CC2)C1 83912934 573696820 /nfs/dbraw/zinc/69/68/20/573696820.db2.gz BFVVKDCZBMVLCW-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO CC(C)(C)C[N@@H+]1CCN2CCC[C@@H]2C1 86930859 573696821 /nfs/dbraw/zinc/69/68/21/573696821.db2.gz ZMLJLLGCNPXYLU-LLVKDONJSA-N 1 1 196.338 1.813 10 0 ADAEMO [NH3+][C@H]1CCCN(CCC2CC2)C1 83912934 573696824 /nfs/dbraw/zinc/69/68/24/573696824.db2.gz BFVVKDCZBMVLCW-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO CC(C)(C)C[N@H+]1CCN2CCC[C@@H]2C1 86930859 573696828 /nfs/dbraw/zinc/69/68/28/573696828.db2.gz ZMLJLLGCNPXYLU-LLVKDONJSA-N 1 1 196.338 1.813 10 0 ADAEMO N[C@H]1CCC[N@H+](CCC2CC2)C1 83912934 573696832 /nfs/dbraw/zinc/69/68/32/573696832.db2.gz BFVVKDCZBMVLCW-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO N[C@H]1CCC[N@@H+](CCC2CC2)C1 83912934 573696836 /nfs/dbraw/zinc/69/68/36/573696836.db2.gz BFVVKDCZBMVLCW-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO CCC[N@H+]1CCCN2CCCC[C@@H]2C1 86929522 573696100 /nfs/dbraw/zinc/69/61/00/573696100.db2.gz UTGUQCZEFBEUDG-GFCCVEGCSA-N 1 1 196.338 1.957 10 0 ADAEMO CCCN1CCC[N@@H+]2CCCC[C@@H]2C1 86929522 573696106 /nfs/dbraw/zinc/69/61/06/573696106.db2.gz UTGUQCZEFBEUDG-GFCCVEGCSA-N 1 1 196.338 1.957 10 0 ADAEMO CCCN1CCC[N@H+]2CCCC[C@@H]2C1 86929522 573696108 /nfs/dbraw/zinc/69/61/08/573696108.db2.gz UTGUQCZEFBEUDG-GFCCVEGCSA-N 1 1 196.338 1.957 10 0 ADAEMO COC(=O)C[NH2+]CC(C1CC1)C1CC1 83894972 573696127 /nfs/dbraw/zinc/69/61/27/573696127.db2.gz MUPASHJKNYRTSL-UHFFFAOYSA-N 1 1 197.278 1.185 10 0 ADAEMO COC[NH2+]Cc1cc(F)ccc1F 259169705 573696188 /nfs/dbraw/zinc/69/61/88/573696188.db2.gz UMEXMAJLJDVBDO-UHFFFAOYSA-N 1 1 187.189 1.658 10 0 ADAEMO C[NH2+][C@@H](C)C[NH2+]CC(C1CC1)C1CC1 83910803 573696264 /nfs/dbraw/zinc/69/62/64/573696264.db2.gz JVKORMXWUVIAMI-VIFPVBQESA-N 1 1 196.338 1.620 10 0 ADAEMO CC[N@H+]1CCCN2CCCC[C@@H]2C1 86929489 573696378 /nfs/dbraw/zinc/69/63/78/573696378.db2.gz CLEHODCQROOSND-LLVKDONJSA-N 1 1 182.311 1.567 10 0 ADAEMO CCN1CCC[N@@H+]2CCCC[C@@H]2C1 86929489 573696382 /nfs/dbraw/zinc/69/63/82/573696382.db2.gz CLEHODCQROOSND-LLVKDONJSA-N 1 1 182.311 1.567 10 0 ADAEMO CCN1CCC[N@H+]2CCCC[C@@H]2C1 86929489 573696389 /nfs/dbraw/zinc/69/63/89/573696389.db2.gz CLEHODCQROOSND-LLVKDONJSA-N 1 1 182.311 1.567 10 0 ADAEMO C[C@@H]1C[N@@H+](CCC2CC2)CCN1 83913180 573696456 /nfs/dbraw/zinc/69/64/56/573696456.db2.gz CEEDFLQMBPRLHZ-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1CN(CCC2CC2)CC[NH2+]1 83913180 573696459 /nfs/dbraw/zinc/69/64/59/573696459.db2.gz CEEDFLQMBPRLHZ-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C1CC1 86930651 573696482 /nfs/dbraw/zinc/69/64/82/573696482.db2.gz MNBCYYBDFOWNIM-GXSJLCMTSA-N 1 1 180.295 1.317 10 0 ADAEMO C[C@@H](C1CC1)N1CC[N@H+]2CCC[C@@H]2C1 86930771 573696533 /nfs/dbraw/zinc/69/65/33/573696533.db2.gz RTFULRMXQLQVQT-CMPLNLGQSA-N 1 1 194.322 1.565 10 0 ADAEMO CC[C@H](C)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C 86930623 573696566 /nfs/dbraw/zinc/69/65/66/573696566.db2.gz YBHPPHHFEUGVJR-SRVKXCTJSA-N 1 1 196.338 1.953 10 0 ADAEMO C[C@H]1C[NH2+]CCC[N@@H+](CCC2CC2)C1 83912303 573696584 /nfs/dbraw/zinc/69/65/84/573696584.db2.gz MSSSREVGVWFITF-NSHDSACASA-N 1 1 196.338 1.718 10 0 ADAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C1CC1 86929506 573696593 /nfs/dbraw/zinc/69/65/93/573696593.db2.gz OWQWWDPAEJJQJT-CMPLNLGQSA-N 1 1 194.322 1.707 10 0 ADAEMO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1C1CC1 86929506 573696597 /nfs/dbraw/zinc/69/65/97/573696597.db2.gz OWQWWDPAEJJQJT-CMPLNLGQSA-N 1 1 194.322 1.707 10 0 ADAEMO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1C1CC1 86929506 573696606 /nfs/dbraw/zinc/69/66/06/573696606.db2.gz OWQWWDPAEJJQJT-CMPLNLGQSA-N 1 1 194.322 1.707 10 0 ADAEMO C[C@@H]1C[C@H]1N1CC[N@H+]2CCC[C@@H]2C1 86931012 573696622 /nfs/dbraw/zinc/69/66/22/573696622.db2.gz DJLGZFGMWKBENR-GMTAPVOTSA-N 1 1 180.295 1.175 10 0 ADAEMO N[C@@H]1CC[N@@H+]2CCCC[C@@H]2C1(F)F 257849020 573703020 /nfs/dbraw/zinc/70/30/20/573703020.db2.gz OKDSLBUDPTWAMP-HTQZYQBOSA-N 1 1 190.237 1.207 10 0 ADAEMO N[C@@H]1CC[N@H+]2CCCC[C@@H]2C1(F)F 257849020 573703025 /nfs/dbraw/zinc/70/30/25/573703025.db2.gz OKDSLBUDPTWAMP-HTQZYQBOSA-N 1 1 190.237 1.207 10 0 ADAEMO [NH3+]Cc1cnc(-c2ccc(O)cc2)[nH]1 108249269 573703087 /nfs/dbraw/zinc/70/30/87/573703087.db2.gz LBTFXIWCZIRBNN-UHFFFAOYSA-N 1 1 189.218 1.241 10 0 ADAEMO Cc1nccc([C@H]2[NH2+]C[C@H](C)S2)n1 124911185 573702329 /nfs/dbraw/zinc/70/23/29/573702329.db2.gz PDKFPTNZRAYWRE-RCOVLWMOSA-N 1 1 195.291 1.509 10 0 ADAEMO O[C@@H]1CCCc2c[nH+]c(C3CC3)n21 258417912 573702342 /nfs/dbraw/zinc/70/23/42/573702342.db2.gz VTNXDUHHNCOCDW-SECBINFHSA-N 1 1 178.235 1.588 10 0 ADAEMO CNC(C)(C)C[NH2+]CC1CCCC1 258887203 573702345 /nfs/dbraw/zinc/70/23/45/573702345.db2.gz MPVQNLIDKSACRX-UHFFFAOYSA-N 1 1 184.327 1.764 10 0 ADAEMO CN(C)CCC[NH2+]CCC1CC1 83926319 573702644 /nfs/dbraw/zinc/70/26/44/573702644.db2.gz UIROWQBECHYTNE-UHFFFAOYSA-N 1 1 170.300 1.328 10 0 ADAEMO C[NH2+][C@H](C)c1nnc2c(n1)CCCC2 257849795 573702715 /nfs/dbraw/zinc/70/27/15/573702715.db2.gz ONUZENDQQQZYDW-SSDOTTSWSA-N 1 1 192.266 1.031 10 0 ADAEMO OCCNc1[nH]c2ccc(F)cc2[nH+]1 236507165 573702727 /nfs/dbraw/zinc/70/27/27/573702727.db2.gz CJIYCIAXJLUAKJ-UHFFFAOYSA-N 1 1 195.197 1.106 10 0 ADAEMO CC(C)C[C@]1(O)C[C@H](C)[N@@H+](C)C1 122130681 573702758 /nfs/dbraw/zinc/70/27/58/573702758.db2.gz RLMGAKGIKMMVKF-UWVGGRQHSA-N 1 1 171.284 1.488 10 0 ADAEMO C[C@@H]1C[N@@H+](CCC2CC2)[C@H](C)CCN1 83940905 573702779 /nfs/dbraw/zinc/70/27/79/573702779.db2.gz FHFNHPXBEHCKBL-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO c1cnc2c(c1)C[N@H+]1CCCC[C@H]1N2 237995213 573702796 /nfs/dbraw/zinc/70/27/96/573702796.db2.gz SWSRGPDCTJBXSS-JTQLQIEISA-N 1 1 189.262 1.819 10 0 ADAEMO c1cnc2c(c1)C[N@@H+]1CCCC[C@H]1N2 237995213 573702799 /nfs/dbraw/zinc/70/27/99/573702799.db2.gz SWSRGPDCTJBXSS-JTQLQIEISA-N 1 1 189.262 1.819 10 0 ADAEMO Cc1ccoc1[C@@H](C)[NH2+][C@@H](C)C(N)=O 308686810 573702862 /nfs/dbraw/zinc/70/28/62/573702862.db2.gz ZVDNQKYZSJGEGN-SFYZADRCSA-N 1 1 196.250 1.112 10 0 ADAEMO CC1(C)CNCC[N@H+]1CCC1CC1 83926977 573702865 /nfs/dbraw/zinc/70/28/65/573702865.db2.gz HJASSVPFJGNGIF-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO CC1(C)C[NH2+]CCN1CCC1CC1 83926977 573702867 /nfs/dbraw/zinc/70/28/67/573702867.db2.gz HJASSVPFJGNGIF-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO C1CCC[N@H+]2CCCN[C@@H]2CC1 238013840 573703623 /nfs/dbraw/zinc/70/36/23/573703623.db2.gz PNKWEJZYXZWPJO-JTQLQIEISA-N 1 1 168.284 1.572 10 0 ADAEMO C1CCCN2CCC[NH2+][C@@H]2CC1 238013840 573703625 /nfs/dbraw/zinc/70/36/25/573703625.db2.gz PNKWEJZYXZWPJO-JTQLQIEISA-N 1 1 168.284 1.572 10 0 ADAEMO CC1(C)Cc2ocnc2C[NH2+]1 258099852 573703636 /nfs/dbraw/zinc/70/36/36/573703636.db2.gz XSNZUTVEYXQENC-UHFFFAOYSA-N 1 1 152.197 1.099 10 0 ADAEMO O[C@H]1CCCc2c[nH+]c(C3CC3)n21 258417917 573703667 /nfs/dbraw/zinc/70/36/67/573703667.db2.gz VTNXDUHHNCOCDW-VIFPVBQESA-N 1 1 178.235 1.588 10 0 ADAEMO [NH3+]Cc1cc([C@H]2CCCCS2)[nH]n1 257849200 573703793 /nfs/dbraw/zinc/70/37/93/573703793.db2.gz AXAKHRCIVFJNMZ-SECBINFHSA-N 1 1 197.307 1.827 10 0 ADAEMO N[C@H]1CC[N@@H+]2CCCC[C@@H]2C1(F)F 257849021 573703898 /nfs/dbraw/zinc/70/38/98/573703898.db2.gz OKDSLBUDPTWAMP-JGVFFNPUSA-N 1 1 190.237 1.207 10 0 ADAEMO CC[N@H+](C)[C@]1(CN)CS[C@@H](C)C1 86936599 573703900 /nfs/dbraw/zinc/70/39/00/573703900.db2.gz BNXPUASRBBRSDE-DTWKUNHWSA-N 1 1 188.340 1.161 10 0 ADAEMO CC[N@@H+](C)[C@]1(CN)CS[C@@H](C)C1 86936599 573703903 /nfs/dbraw/zinc/70/39/03/573703903.db2.gz BNXPUASRBBRSDE-DTWKUNHWSA-N 1 1 188.340 1.161 10 0 ADAEMO N[C@H]1CC[N@H+]2CCCC[C@@H]2C1(F)F 257849021 573703909 /nfs/dbraw/zinc/70/39/09/573703909.db2.gz OKDSLBUDPTWAMP-JGVFFNPUSA-N 1 1 190.237 1.207 10 0 ADAEMO C[C@H]1C[N@@H+](CCC2CC2)C[C@@H](C)N1 83935359 573704053 /nfs/dbraw/zinc/70/40/53/573704053.db2.gz MRXMQRQYXPFOOO-AOOOYVTPSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CN(CCC2CC2)C[C@@H](C)[NH2+]1 83935359 573704059 /nfs/dbraw/zinc/70/40/59/573704059.db2.gz MRXMQRQYXPFOOO-AOOOYVTPSA-N 1 1 182.311 1.469 10 0 ADAEMO [NH3+][C@H]1CCC[C@H]1CNCc1ccoc1 130764280 573704125 /nfs/dbraw/zinc/70/41/25/573704125.db2.gz WCMSWMMCLPXKNV-QWRGUYRKSA-N 1 1 194.278 1.497 10 0 ADAEMO Cc1[nH+]ccn1C1CC1 75838596 573704146 /nfs/dbraw/zinc/70/41/46/573704146.db2.gz XKWHGSSBTIHLIA-UHFFFAOYSA-N 1 1 122.171 1.526 10 0 ADAEMO C[NH2+]CC[C@@H](N)c1ccc(C)cc1C 259176867 573704163 /nfs/dbraw/zinc/70/41/63/573704163.db2.gz FCJNEXPJUQMXKU-GFCCVEGCSA-N 1 1 192.306 1.913 10 0 ADAEMO Cc1cc(C[NH3+])cc2nc[nH]c12 238484160 573704194 /nfs/dbraw/zinc/70/41/94/573704194.db2.gz HHTWMUIZXAEREO-UHFFFAOYSA-N 1 1 161.208 1.330 10 0 ADAEMO Cc1ccoc1[C@H](C)[NH2+][C@H](C)C(N)=O 308686809 573704220 /nfs/dbraw/zinc/70/42/20/573704220.db2.gz ZVDNQKYZSJGEGN-JGVFFNPUSA-N 1 1 196.250 1.112 10 0 ADAEMO Cc1ccc(OC2CCC2)c(N)[nH+]1 238483570 573704269 /nfs/dbraw/zinc/70/42/69/573704269.db2.gz PWCRMGANQLSYDO-UHFFFAOYSA-N 1 1 178.235 1.904 10 0 ADAEMO CC(C)[C@@H]([NH3+])CCNCc1ccoc1 130767760 573704317 /nfs/dbraw/zinc/70/43/17/573704317.db2.gz IVDHNDYGEWXMFG-NSHDSACASA-N 1 1 196.294 1.743 10 0 ADAEMO C[C@H]1C[N@@H+](CCC2CC2)[C@@H](C)CCN1 83940911 573704340 /nfs/dbraw/zinc/70/43/40/573704340.db2.gz FHFNHPXBEHCKBL-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO [NH3+][C@H]1CCC[C@@H]1CNCc1ccoc1 130764478 573705755 /nfs/dbraw/zinc/70/57/55/573705755.db2.gz WCMSWMMCLPXKNV-MNOVXSKESA-N 1 1 194.278 1.497 10 0 ADAEMO C[NH+](C)C[C@H]1CC[N@H+](C2CCC2)C1 306440012 573705791 /nfs/dbraw/zinc/70/57/91/573705791.db2.gz KBLLWBPWHGHNEA-SNVBAGLBSA-N 1 1 182.311 1.422 10 0 ADAEMO CN(C)C[C@H]1CC[N@@H+](C2CCC2)C1 306440012 573705793 /nfs/dbraw/zinc/70/57/93/573705793.db2.gz KBLLWBPWHGHNEA-SNVBAGLBSA-N 1 1 182.311 1.422 10 0 ADAEMO CN(C)C[C@H]1CC[N@H+](C2CCC2)C1 306440012 573705797 /nfs/dbraw/zinc/70/57/97/573705797.db2.gz KBLLWBPWHGHNEA-SNVBAGLBSA-N 1 1 182.311 1.422 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1CC1(O)CC1 258100566 573705810 /nfs/dbraw/zinc/70/58/10/573705810.db2.gz SBPTZLFLQICEDN-SNVBAGLBSA-N 1 1 183.295 1.774 10 0 ADAEMO CC[N@H+](C)[C@@]1(CN)CS[C@@H](C)C1 86936598 573705919 /nfs/dbraw/zinc/70/59/19/573705919.db2.gz BNXPUASRBBRSDE-IUCAKERBSA-N 1 1 188.340 1.161 10 0 ADAEMO CC[N@@H+](C)[C@@]1(CN)CS[C@@H](C)C1 86936598 573705925 /nfs/dbraw/zinc/70/59/25/573705925.db2.gz BNXPUASRBBRSDE-IUCAKERBSA-N 1 1 188.340 1.161 10 0 ADAEMO N[C@@H]1CC[N@@H+]2CCCC[C@H]2C1(F)F 257849022 573706201 /nfs/dbraw/zinc/70/62/01/573706201.db2.gz OKDSLBUDPTWAMP-SFYZADRCSA-N 1 1 190.237 1.207 10 0 ADAEMO N[C@@H]1CC[N@H+]2CCCC[C@H]2C1(F)F 257849022 573706206 /nfs/dbraw/zinc/70/62/06/573706206.db2.gz OKDSLBUDPTWAMP-SFYZADRCSA-N 1 1 190.237 1.207 10 0 ADAEMO C[C@H]1CCN[C@H](C)C[N@H+]1CCC1CC1 83940906 573706221 /nfs/dbraw/zinc/70/62/21/573706221.db2.gz FHFNHPXBEHCKBL-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO CN(C)c1ccc2nc(C[NH3+])oc2c1 75844962 573706232 /nfs/dbraw/zinc/70/62/32/573706232.db2.gz PURNZFOGRGPJGX-UHFFFAOYSA-N 1 1 191.234 1.353 10 0 ADAEMO C[C@@H]([NH3+])[C@H](C)CNCc1ccoc1 130769966 573706239 /nfs/dbraw/zinc/70/62/39/573706239.db2.gz PUQYYLKINJPOOI-RKDXNWHRSA-N 1 1 182.267 1.353 10 0 ADAEMO C[C@H]1CC[C@H]1[NH2+]CCNC(C)(C)C 393554874 573706250 /nfs/dbraw/zinc/70/62/50/573706250.db2.gz NZPXJVIXOXQTBU-VHSXEESVSA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@H]1C[N@@H+](CCC2CC2)C(C)(C)CN1 83940793 573706262 /nfs/dbraw/zinc/70/62/62/573706262.db2.gz OMVRLHAIOKBMLV-JTQLQIEISA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CN(CCC2CC2)C(C)(C)C[NH2+]1 83940793 573706268 /nfs/dbraw/zinc/70/62/68/573706268.db2.gz OMVRLHAIOKBMLV-JTQLQIEISA-N 1 1 196.338 1.859 10 0 ADAEMO C1CC[N@@H+]2CCCC[C@@H]2NC1 238015442 573706386 /nfs/dbraw/zinc/70/63/86/573706386.db2.gz AZTASCFVYHNXGZ-SECBINFHSA-N 1 1 154.257 1.182 10 0 ADAEMO C1CCN2CCCC[C@@H]2[NH2+]C1 238015442 573706392 /nfs/dbraw/zinc/70/63/92/573706392.db2.gz AZTASCFVYHNXGZ-SECBINFHSA-N 1 1 154.257 1.182 10 0 ADAEMO N[C@H]1CC[N@@H+]2CCCC[C@H]2C1(F)F 257849023 573706435 /nfs/dbraw/zinc/70/64/35/573706435.db2.gz OKDSLBUDPTWAMP-YUMQZZPRSA-N 1 1 190.237 1.207 10 0 ADAEMO N[C@H]1CC[N@H+]2CCCC[C@H]2C1(F)F 257849023 573706437 /nfs/dbraw/zinc/70/64/37/573706437.db2.gz OKDSLBUDPTWAMP-YUMQZZPRSA-N 1 1 190.237 1.207 10 0 ADAEMO C1C[C@H]2CCN(C[C@H]3CCC[NH2+]3)[C@H]2C1 238016505 573706473 /nfs/dbraw/zinc/70/64/73/573706473.db2.gz OGAPCBXKAFOBCK-TUAOUCFPSA-N 1 1 194.322 1.613 10 0 ADAEMO C[C@H]1C[NH2+]C[C@H](C)N1CCC1CC1 83935376 573706509 /nfs/dbraw/zinc/70/65/09/573706509.db2.gz ZYKLJPFZTCOQBU-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO Cc1ccc(C(=O)C[NH3+])c(C)c1O 258095754 573711374 /nfs/dbraw/zinc/71/13/74/573711374.db2.gz XEAZPIFOXKVJAG-UHFFFAOYSA-N 1 1 179.219 1.150 10 0 ADAEMO CCC[C@H]([NH3+])CCNCc1ccoc1 130787010 573711404 /nfs/dbraw/zinc/71/14/04/573711404.db2.gz RXFPKECXZGZVAD-NSHDSACASA-N 1 1 196.294 1.887 10 0 ADAEMO CN[C@H]1CC[N@@H+]([C@H]2CCC(C)(C)C2)C1 122198184 573710699 /nfs/dbraw/zinc/71/06/99/573710699.db2.gz SXYVIBCYCLPIHK-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CN[C@H]1CC[N@H+]([C@H]2CCC(C)(C)C2)C1 122198184 573710706 /nfs/dbraw/zinc/71/07/06/573710706.db2.gz SXYVIBCYCLPIHK-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCCN1N=C(CCC)C([NH3+])C1=O 130795387 573710794 /nfs/dbraw/zinc/71/07/94/573710794.db2.gz VBUFCINGRWIUJO-UHFFFAOYSA-N 1 1 197.282 1.924 10 0 ADAEMO C[C@H]([NH3+])CCNCc1ccoc1 130779723 573710872 /nfs/dbraw/zinc/71/08/72/573710872.db2.gz DRMLCPFLBPORFW-QMMMGPOBSA-N 1 1 168.240 1.107 10 0 ADAEMO C[NH2+][C@H](C1CCC1)[C@H]1CCCCN1 259561146 573710873 /nfs/dbraw/zinc/71/08/73/573710873.db2.gz WESAGGZKESXFKA-GHMZBOCLSA-N 1 1 182.311 1.517 10 0 ADAEMO C[NH2+][C@@H](C1CCC1)[C@H]1CCCCN1 259561149 573710888 /nfs/dbraw/zinc/71/08/88/573710888.db2.gz WESAGGZKESXFKA-MNOVXSKESA-N 1 1 182.311 1.517 10 0 ADAEMO CC(C)C[C@@]1(C)COC(N)=[NH+]1 83952570 573710907 /nfs/dbraw/zinc/71/09/07/573710907.db2.gz DSINGSYNTRNCRY-QMMMGPOBSA-N 1 1 156.229 1.136 10 0 ADAEMO CC(C)c1cn[nH]c1[C@H](C)[NH3+] 257850285 573710923 /nfs/dbraw/zinc/71/09/23/573710923.db2.gz RKTHSBZGHOSUBO-LURJTMIESA-N 1 1 153.229 1.553 10 0 ADAEMO [NH3+]CC(=O)c1cccc2ccncc12 108267523 573710943 /nfs/dbraw/zinc/71/09/43/573710943.db2.gz USHOHESSQKUXEL-UHFFFAOYSA-N 1 1 186.214 1.376 10 0 ADAEMO Nc1ccc(Cc2ccccn2)c[nH+]1 83951161 573711093 /nfs/dbraw/zinc/71/10/93/573711093.db2.gz PKGOIRQGDRBBNK-UHFFFAOYSA-N 1 1 185.230 1.650 10 0 ADAEMO C[NH2+][C@@H](C1CCC1)[C@@H]1CCCCN1 259561151 573711124 /nfs/dbraw/zinc/71/11/24/573711124.db2.gz WESAGGZKESXFKA-QWRGUYRKSA-N 1 1 182.311 1.517 10 0 ADAEMO C1CC(C[NH2+]C[C@@H]2CCN2)(C2CC2)C1 393647079 573711210 /nfs/dbraw/zinc/71/12/10/573711210.db2.gz JHYRJVRAZUQOHW-NSHDSACASA-N 1 1 194.322 1.518 10 0 ADAEMO C1CC(CNC[C@@H]2CC[NH2+]2)(C2CC2)C1 393647079 573711216 /nfs/dbraw/zinc/71/12/16/573711216.db2.gz JHYRJVRAZUQOHW-NSHDSACASA-N 1 1 194.322 1.518 10 0 ADAEMO Cc1ccccc1[C@@H]1C[NH2+]C[C@H](N)C1 238491229 573711291 /nfs/dbraw/zinc/71/12/91/573711291.db2.gz FTSAUDUBVKXSSX-WDEREUQCSA-N 1 1 190.290 1.399 10 0 ADAEMO CC[C@@H](C[C@H]1CC[N@@H+](C)C1)C(=O)OC 259177170 573711292 /nfs/dbraw/zinc/71/12/92/573711292.db2.gz FDWABBZXMCQGMW-ZJUUUORDSA-N 1 1 199.294 1.527 10 0 ADAEMO CC[C@@H](C[C@@H]1CC[N@@H+](C)C1)C(=O)OC 259177164 573711312 /nfs/dbraw/zinc/71/13/12/573711312.db2.gz FDWABBZXMCQGMW-UWVGGRQHSA-N 1 1 199.294 1.527 10 0 ADAEMO CCc1[nH]c(C2(CO)CCC2)nc1C 258512154 573713269 /nfs/dbraw/zinc/71/32/69/573713269.db2.gz GCOREWXCUGRMHQ-UHFFFAOYSA-N 1 1 194.278 1.695 10 0 ADAEMO CC[C@H]1CCC[C@@]2(COC(N)=[NH+]2)C1 83964763 573713959 /nfs/dbraw/zinc/71/39/59/573713959.db2.gz WCTKLMDHKBLVND-WPRPVWTQSA-N 1 1 182.267 1.670 10 0 ADAEMO CC(C)CC[C@]1(C)COC(N)=[NH+]1 83964610 573714003 /nfs/dbraw/zinc/71/40/03/573714003.db2.gz DNYRZDQBUKEVGE-SECBINFHSA-N 1 1 170.256 1.526 10 0 ADAEMO CNOCCC[C@H]1CCCC[N@H+]1C 257854518 573714005 /nfs/dbraw/zinc/71/40/05/573714005.db2.gz AGCIBCAQGJGNII-SNVBAGLBSA-N 1 1 186.299 1.402 10 0 ADAEMO CCc1[nH+]c(C2(CO)CCC2)[nH]c1C 258512154 573713274 /nfs/dbraw/zinc/71/32/74/573713274.db2.gz GCOREWXCUGRMHQ-UHFFFAOYSA-N 1 1 194.278 1.695 10 0 ADAEMO CCc1[nH]c(C2(CO)CCC2)[nH+]c1C 258512154 573713279 /nfs/dbraw/zinc/71/32/79/573713279.db2.gz GCOREWXCUGRMHQ-UHFFFAOYSA-N 1 1 194.278 1.695 10 0 ADAEMO C[C@@H]1CC[C@]2(COC(N)=[NH+]2)[C@H](C)C1 83964574 573713311 /nfs/dbraw/zinc/71/33/11/573713311.db2.gz KSAWSBKJQIONBX-MRTMQBJTSA-N 1 1 182.267 1.526 10 0 ADAEMO CC(C)(C)C[C@@H]1COC(N)=[NH+]1 83964569 573713500 /nfs/dbraw/zinc/71/35/00/573713500.db2.gz XVADQHKAHAHPGT-ZCFIWIBFSA-N 1 1 156.229 1.136 10 0 ADAEMO C[C@]1(C2CCCC2)COC(N)=[NH+]1 83964305 573713520 /nfs/dbraw/zinc/71/35/20/573713520.db2.gz NJNHIWNQJBZMPE-SECBINFHSA-N 1 1 168.240 1.280 10 0 ADAEMO C[C@H]([NH3+])Cc1ncc([C@@H]2CCCO2)[nH]1 258095255 573713559 /nfs/dbraw/zinc/71/35/59/573713559.db2.gz NJAKGTLEVAOMFS-CBAPKCEASA-N 1 1 195.266 1.151 10 0 ADAEMO COC(=O)[C@@H]([NH3+])CCCC(C)(C)C 259172629 573713562 /nfs/dbraw/zinc/71/35/62/573713562.db2.gz WOAOEJCNMFJDJQ-QMMMGPOBSA-N 1 1 187.283 1.703 10 0 ADAEMO CN[C@@H]([C@H]1CCC[NH2+]1)C(C)(C)C 259173321 573713643 /nfs/dbraw/zinc/71/36/43/573713643.db2.gz DKCZMMFVLDBZSB-BDAKNGLRSA-N 1 1 170.300 1.373 10 0 ADAEMO C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 108275789 573713687 /nfs/dbraw/zinc/71/36/87/573713687.db2.gz QCUKLRANIOWJDT-IJLUTSLNSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@]1(c2ccccc2F)COC(=[NH2+])N1 83964385 573713731 /nfs/dbraw/zinc/71/37/31/573713731.db2.gz LDAKMDHNDJLWCB-SNVBAGLBSA-N 1 1 194.209 1.386 10 0 ADAEMO C[C@@H]1CCCC[C@]12COC(N)=[NH+]2 83964618 573713850 /nfs/dbraw/zinc/71/38/50/573713850.db2.gz GGCKXSAZSZBMDY-APPZFPTMSA-N 1 1 168.240 1.280 10 0 ADAEMO Cc1cc(N)c(O)c2[nH+]cccc12 197518257 573713858 /nfs/dbraw/zinc/71/38/58/573713858.db2.gz LJBDBJTYRRFDMJ-UHFFFAOYSA-N 1 1 174.203 1.831 10 0 ADAEMO C[C@H]1C[C@@]2(CC[C@H]1C)COC(N)=[NH+]2 83964745 573713872 /nfs/dbraw/zinc/71/38/72/573713872.db2.gz QURUWJJQPKGTPC-WEDXCCLWSA-N 1 1 182.267 1.526 10 0 ADAEMO CC[C@@H]1CCC[C@]2(COC(N)=[NH+]2)C1 83964757 573713882 /nfs/dbraw/zinc/71/38/82/573713882.db2.gz WCTKLMDHKBLVND-PSASIEDQSA-N 1 1 182.267 1.670 10 0 ADAEMO CC[N@@H+]([C@@H](C)C(C)=O)[C@@H]1CCOC1 393555562 573718820 /nfs/dbraw/zinc/71/88/20/573718820.db2.gz MMAJHOGHXMCQJF-WCBMZHEXSA-N 1 1 185.267 1.075 10 0 ADAEMO CNOCC[C@@H]1CC[N@H+](C(C)C)C1 257856818 573719559 /nfs/dbraw/zinc/71/95/59/573719559.db2.gz ATXYRCWUBONKMZ-JTQLQIEISA-N 1 1 186.299 1.258 10 0 ADAEMO C[C@@]1([NH3+])CSc2ccccc2C1=O 238493824 573718876 /nfs/dbraw/zinc/71/88/76/573718876.db2.gz LVUDYPXYNIBBCI-SNVBAGLBSA-N 1 1 193.271 1.692 10 0 ADAEMO CC[C@@H]1CC[C@@]2(COC(N)=[NH+]2)C1 83965142 573718892 /nfs/dbraw/zinc/71/88/92/573718892.db2.gz JOIISVVBDQEUFA-APPZFPTMSA-N 1 1 168.240 1.280 10 0 ADAEMO CC(C)c1[nH+]c(N)[nH]c1C1CC1 258418399 573719034 /nfs/dbraw/zinc/71/90/34/573719034.db2.gz BSEJUWMSTMYNOC-UHFFFAOYSA-N 1 1 165.240 1.993 10 0 ADAEMO Cc1nc(C[NH2+]CCCC2CC2)c[nH]1 124956353 573719129 /nfs/dbraw/zinc/71/91/29/573719129.db2.gz WLDWIJWOJYZEAC-UHFFFAOYSA-N 1 1 193.294 1.998 10 0 ADAEMO CC(C)C[N@@H+](C)[C@H](CO)C(C)C 258891756 573719207 /nfs/dbraw/zinc/71/92/07/573719207.db2.gz RDYKRBMLJNISHH-SNVBAGLBSA-N 1 1 173.300 1.591 10 0 ADAEMO CCC(CC)[C@H]1COC(N)=[NH+]1 83965090 573719225 /nfs/dbraw/zinc/71/92/25/573719225.db2.gz NLUNIXSIECNONW-SSDOTTSWSA-N 1 1 156.229 1.136 10 0 ADAEMO CC(C)[C@@]1([C@@H]2CCCN2C)CCC[NH2+]1 258097742 573719313 /nfs/dbraw/zinc/71/93/13/573719313.db2.gz GWYSTXMKVWTWSU-NWDGAFQWSA-N 1 1 196.338 1.859 10 0 ADAEMO Cc1nc([C@H]2CC[NH2+]C2)[nH]c1C1CC1 257856883 573721453 /nfs/dbraw/zinc/72/14/53/573721453.db2.gz QCZJWSXKAJDOEH-VIFPVBQESA-N 1 1 191.278 1.672 10 0 ADAEMO C[S@@](=[NH2+])c1ccc(O)cc1 238494695 573720940 /nfs/dbraw/zinc/72/09/40/573720940.db2.gz LONBWWGMGZKSCG-SNVBAGLBSA-N 1 1 155.222 1.762 10 0 ADAEMO CCCc1[nH]c(C[NH3+])cc2ncnc1-2 257856837 573720974 /nfs/dbraw/zinc/72/09/74/573720974.db2.gz QBSMDXOBLDDGNK-UHFFFAOYSA-N 1 1 190.250 1.369 10 0 ADAEMO CNOCC[C@H]1CC[N@H+](C(C)C)C1 257856820 573721035 /nfs/dbraw/zinc/72/10/35/573721035.db2.gz ATXYRCWUBONKMZ-SNVBAGLBSA-N 1 1 186.299 1.258 10 0 ADAEMO Cc1nc([C@@H]2CC[NH2+]C2)[nH]c1C1CC1 257856882 573721216 /nfs/dbraw/zinc/72/12/16/573721216.db2.gz QCZJWSXKAJDOEH-SECBINFHSA-N 1 1 191.278 1.672 10 0 ADAEMO CC1(C)CSC[C@H]([NH2+]CC[NH3+])C1 86975320 573721352 /nfs/dbraw/zinc/72/13/52/573721352.db2.gz PWCSSBFBUVRGIR-MRVPVSSYSA-N 1 1 188.340 1.066 10 0 ADAEMO C[N@@H+]1Cc2[nH]oc(=S)c2C1 108283583 573723449 /nfs/dbraw/zinc/72/34/49/573723449.db2.gz RWNDNSRNJVJHFS-UHFFFAOYSA-N 1 1 156.210 1.283 10 0 ADAEMO C[N@H+]1Cc2[nH]oc(=S)c2C1 108283583 573723452 /nfs/dbraw/zinc/72/34/52/573723452.db2.gz RWNDNSRNJVJHFS-UHFFFAOYSA-N 1 1 156.210 1.283 10 0 ADAEMO C[NH2+]C[C@@]1(C2CC2)CCCN1C 258892250 573723492 /nfs/dbraw/zinc/72/34/92/573723492.db2.gz YONTVFVBOQPDNH-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CCC1(CC)C[NH2+]C[C@@H](C)N1 108283726 573723520 /nfs/dbraw/zinc/72/35/20/573723520.db2.gz AXYYNEDEUZATGV-MRVPVSSYSA-N 1 1 156.273 1.127 10 0 ADAEMO CC1(C)CCCC[N@H+]1CCO 108284156 573723571 /nfs/dbraw/zinc/72/35/71/573723571.db2.gz IYXTYYCZUFQUGA-UHFFFAOYSA-N 1 1 157.257 1.243 10 0 ADAEMO C[C@@H]([NH3+])c1nc2ccc(F)cc2o1 75883657 573723634 /nfs/dbraw/zinc/72/36/34/573723634.db2.gz XUTVXOMSYHTDIA-RXMQYKEDSA-N 1 1 180.182 1.987 10 0 ADAEMO C[N@H+]1CCCC[C@]1(CN)C1CC1 258892180 573723668 /nfs/dbraw/zinc/72/36/68/573723668.db2.gz YNTLEBPMTIBVJK-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO CN1CCCC[C@]1(C[NH3+])C1CC1 258892180 573723675 /nfs/dbraw/zinc/72/36/75/573723675.db2.gz YNTLEBPMTIBVJK-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO CC[N@H+]1CCC=C(C(C)(C)O)C1 258104641 573723978 /nfs/dbraw/zinc/72/39/78/573723978.db2.gz OFCIXROUNXMSHK-UHFFFAOYSA-N 1 1 169.268 1.409 10 0 ADAEMO C[C@@H](O)c1coc([C@@H]2CCCC[NH2+]2)n1 258104013 573724134 /nfs/dbraw/zinc/72/41/34/573724134.db2.gz NQPOZIPOQZNRTG-SFYZADRCSA-N 1 1 196.250 1.543 10 0 ADAEMO CC(C)[N@@H+](C1CCC1)[C@H]1COC[C@@H]1O 687965356 573724163 /nfs/dbraw/zinc/72/41/63/573724163.db2.gz LDQUIBVPKIHSTQ-QWRGUYRKSA-N 1 1 199.294 1.009 10 0 ADAEMO CC(C)[N@@H+](C1CCC1)[C@@H]1COC[C@@H]1O 687965354 573724930 /nfs/dbraw/zinc/72/49/30/573724930.db2.gz LDQUIBVPKIHSTQ-MNOVXSKESA-N 1 1 199.294 1.009 10 0 ADAEMO C[C@H](CC1CC1)[N@@H+](C)[C@H](CN)C1CC1 253189112 573725043 /nfs/dbraw/zinc/72/50/43/573725043.db2.gz ZLDCNSWIZAJCFM-BXKDBHETSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@]1(O)CCC[N@H+]2CCCC=C21 238495571 573725224 /nfs/dbraw/zinc/72/52/24/573725224.db2.gz AKEBZFDBKDSFNN-SNVBAGLBSA-N 1 1 167.252 1.511 10 0 ADAEMO C[C@@H](CC1CC1)[N@@H+](C)[C@H](CN)C1CC1 253189114 573725257 /nfs/dbraw/zinc/72/52/57/573725257.db2.gz ZLDCNSWIZAJCFM-JOYOIKCWSA-N 1 1 196.338 1.844 10 0 ADAEMO Cc1ccc(F)c2[nH]c(N)[nH+]c12 238495257 573725523 /nfs/dbraw/zinc/72/55/23/573725523.db2.gz 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1 1 170.300 1.454 10 0 ADAEMO CC[C@H]1C[C@@H](N)C[N@H+]1C(C)C 108331771 573754081 /nfs/dbraw/zinc/75/40/81/573754081.db2.gz ZPEBWNBLIBDJLX-BDAKNGLRSA-N 1 1 156.273 1.206 10 0 ADAEMO FC1(F)CCC[NH2+][C@]12CCSC2 258908571 573754083 /nfs/dbraw/zinc/75/40/83/573754083.db2.gz ORAYNDZJLNREJA-ZETCQYMHSA-N 1 1 193.262 1.881 10 0 ADAEMO CC(C)[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 108307385 573753361 /nfs/dbraw/zinc/75/33/61/573753361.db2.gz NHMOGJSYJZBQAK-NSHDSACASA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)[C@H]1CC[N@@H+](C2CCNCC2)C1 108307385 573753366 /nfs/dbraw/zinc/75/33/66/573753366.db2.gz NHMOGJSYJZBQAK-NSHDSACASA-N 1 1 196.338 1.716 10 0 ADAEMO C/C=C/c1nnc([C@H]([NH3+])C(C)C)o1 238068543 573753370 /nfs/dbraw/zinc/75/33/70/573753370.db2.gz TXYJOCQEZZHIAF-WTSVBCDHSA-N 1 1 181.239 1.759 10 0 ADAEMO CC(C)[C@H]1CC[N@H+](C2CCNCC2)C1 108307385 573753372 /nfs/dbraw/zinc/75/33/72/573753372.db2.gz NHMOGJSYJZBQAK-NSHDSACASA-N 1 1 196.338 1.716 10 0 ADAEMO CCc1ccc(C)c(C(=O)C[NH3+])c1 258116859 573753482 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C[C@@H]1C[N@H+]([C@H]2CC=CCC2)[C@H](C)CN1 84080664 573760092 /nfs/dbraw/zinc/76/00/92/573760092.db2.gz KMLJNEHKEMIIER-UTUOFQBUSA-N 1 1 194.322 1.777 10 0 ADAEMO CC(=O)C[N@H+](C)CCc1ccc[nH]1 258913934 573760104 /nfs/dbraw/zinc/76/01/04/573760104.db2.gz MOIYFSWPEQGACJ-UHFFFAOYSA-N 1 1 180.251 1.078 10 0 ADAEMO CC(=O)C[N@@H+](C)CCc1ccc[nH]1 258913934 573760108 /nfs/dbraw/zinc/76/01/08/573760108.db2.gz MOIYFSWPEQGACJ-UHFFFAOYSA-N 1 1 180.251 1.078 10 0 ADAEMO CC(C)(C)c1cc(N)cn[nH+]1 258120825 573760182 /nfs/dbraw/zinc/76/01/82/573760182.db2.gz ZMAUWTLMJUPOAB-UHFFFAOYSA-N 1 1 151.213 1.356 10 0 ADAEMO Cc1nc2c(n1C)C[C@H]([C@H](C)[NH3+])CC2 76089683 573760265 /nfs/dbraw/zinc/76/02/65/573760265.db2.gz NIVDHXIKYJYONA-IONNQARKSA-N 1 1 193.294 1.181 10 0 ADAEMO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@@H]2CO)no1 308696735 573760315 /nfs/dbraw/zinc/76/03/15/573760315.db2.gz RTRKVPZDPQERNI-NQMVMOMDSA-N 1 1 196.250 1.014 10 0 ADAEMO CC[C@H]1CNCC[N@H+]1[C@H]1CC=CCC1 84080687 573760444 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RKQPQMYKDODJBV-XPUUQOCRSA-N 1 1 179.267 1.485 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@H](CCC[NH3+])C2 76089445 573763619 /nfs/dbraw/zinc/76/36/19/573763619.db2.gz ZGNKHPHRNHCVRP-VIFPVBQESA-N 1 1 193.294 1.562 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@@]2(CC)CCC[NH2+]2)C1 258123299 573763636 /nfs/dbraw/zinc/76/36/36/573763636.db2.gz IOPFOUSCLZULSS-NWDGAFQWSA-N 1 1 196.338 1.860 10 0 ADAEMO C[NH2+]CCCc1cc(CC(C)C)[nH]n1 257870286 573763722 /nfs/dbraw/zinc/76/37/22/573763722.db2.gz SVRRGYULGVJZQK-UHFFFAOYSA-N 1 1 195.310 1.760 10 0 ADAEMO C[N@H+]1C[C@H](N)C[C@@H]1CC1CCC1 108332671 573763729 /nfs/dbraw/zinc/76/37/29/573763729.db2.gz QHLZRJZLTAOABU-ZJUUUORDSA-N 1 1 168.284 1.208 10 0 ADAEMO CN1C[C@H]([NH3+])C[C@@H]1CC1CCC1 108332671 573763731 /nfs/dbraw/zinc/76/37/31/573763731.db2.gz QHLZRJZLTAOABU-ZJUUUORDSA-N 1 1 168.284 1.208 10 0 ADAEMO Cc1nc2c([nH]1)C[C@H](CCC[NH3+])CC2 76089447 573763809 /nfs/dbraw/zinc/76/38/09/573763809.db2.gz ZGNKHPHRNHCVRP-SECBINFHSA-N 1 1 193.294 1.562 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@@H](CCC[NH3+])C2 76089447 573763815 /nfs/dbraw/zinc/76/38/15/573763815.db2.gz ZGNKHPHRNHCVRP-SECBINFHSA-N 1 1 193.294 1.562 10 0 ADAEMO CC(C)[N@H+]1C[C@H](N)C[C@@H]1C1CC1 108332681 573763902 /nfs/dbraw/zinc/76/39/02/573763902.db2.gz ZTYXDHMPQIZEOL-NXEZZACHSA-N 1 1 168.284 1.206 10 0 ADAEMO COC(=O)/C=C\[C@@H]1CCC[N@@H+](C)C1 258123097 573763942 /nfs/dbraw/zinc/76/39/42/573763942.db2.gz IMLLIIRZEFAKDX-UDIARPCQSA-N 1 1 183.251 1.057 10 0 ADAEMO CC(C)[C@H]1C[C@H](N)C[N@H+]1C1CC1 108332688 573764075 /nfs/dbraw/zinc/76/40/75/573764075.db2.gz YJYSNKBXMCHOBS-WCBMZHEXSA-N 1 1 168.284 1.206 10 0 ADAEMO C[N@H+]1C[C@@H](N)C[C@@H]1C1CCCC1 108332678 573764113 /nfs/dbraw/zinc/76/41/13/573764113.db2.gz ZDSYDNBFDMTEEI-VHSXEESVSA-N 1 1 168.284 1.208 10 0 ADAEMO Cc1nc2c(n1C)CC[C@H](CC[NH3+])C2 76089760 573764208 /nfs/dbraw/zinc/76/42/08/573764208.db2.gz SPGTXOUZDGSOSS-SECBINFHSA-N 1 1 193.294 1.182 10 0 ADAEMO [NH2+]=C(NCc1cnc[nH]1)C1CCCC1 84081530 573764211 /nfs/dbraw/zinc/76/42/11/573764211.db2.gz WYXYQTRJDVIAAX-UHFFFAOYSA-N 1 1 192.266 1.667 10 0 ADAEMO Cc1nc2c(n1C)CC[C@@H]([C@@H](C)[NH3+])C2 76089670 573764307 /nfs/dbraw/zinc/76/43/07/573764307.db2.gz WCXCHHLOLGNDAC-VXNVDRBHSA-N 1 1 193.294 1.181 10 0 ADAEMO Cc1n[nH]c2c1[C@H](C1CC1)[NH2+]CC2 238507324 573764335 /nfs/dbraw/zinc/76/43/35/573764335.db2.gz CYXRLEMHSABRSO-JTQLQIEISA-N 1 1 177.251 1.315 10 0 ADAEMO CC(C)[C@@H](CO)[N@@H+](C)C1CCC1 258928129 573767134 /nfs/dbraw/zinc/76/71/34/573767134.db2.gz VALABDMPVSCRTE-SNVBAGLBSA-N 1 1 171.284 1.488 10 0 ADAEMO Cc1cc(C(F)F)c(O)c(N)[nH+]1 238509692 573767145 /nfs/dbraw/zinc/76/71/45/573767145.db2.gz DHOANGWWONSLQA-UHFFFAOYSA-N 1 1 174.150 1.615 10 0 ADAEMO Cc1cc(C(F)F)c(O)c(C[NH3+])n1 238509535 573767185 /nfs/dbraw/zinc/76/71/85/573767185.db2.gz GJWDMUDTAFJLCW-UHFFFAOYSA-N 1 1 188.177 1.492 10 0 ADAEMO CC[N@H+]1CCC[C@H]1CCC1(O)CC1 258124583 573767395 /nfs/dbraw/zinc/76/73/95/573767395.db2.gz UHOFJGYNOTVFLU-JTQLQIEISA-N 1 1 183.295 1.776 10 0 ADAEMO CCO[C@@H](C)C[NH2+]Cc1c[nH]c(C)n1 127101646 573767422 /nfs/dbraw/zinc/76/74/22/573767422.db2.gz RVDCDKPPVQQBGF-QMMMGPOBSA-N 1 1 197.282 1.233 10 0 ADAEMO C[C@H](O)C(F)(F)C[C@H]1CC[N@@H+](C)C1 257872495 573767617 /nfs/dbraw/zinc/76/76/17/573767617.db2.gz TYVXARPMQZPMLQ-JGVFFNPUSA-N 1 1 193.237 1.344 10 0 ADAEMO CNC(C)(C)[C@H]1CCCC[NH2+]1 212009827 573767642 /nfs/dbraw/zinc/76/76/42/573767642.db2.gz MTRCFBOWCNMGMK-MRVPVSSYSA-N 1 1 156.273 1.127 10 0 ADAEMO C[NH2+]C(C)(C)[C@H]1CCCCN1 212009827 573767648 /nfs/dbraw/zinc/76/76/48/573767648.db2.gz MTRCFBOWCNMGMK-MRVPVSSYSA-N 1 1 156.273 1.127 10 0 ADAEMO Cc1ccc(C)c(CC[NH2+]CN)c1 258926369 573767752 /nfs/dbraw/zinc/76/77/52/573767752.db2.gz RCGXVAIFLHPQEE-UHFFFAOYSA-N 1 1 178.279 1.352 10 0 ADAEMO C[N@H+]1CC[C@H](CC2(O)CCC2)C1 258124607 573767807 /nfs/dbraw/zinc/76/78/07/573767807.db2.gz UIDYBLGRSSWDAR-SECBINFHSA-N 1 1 169.268 1.243 10 0 ADAEMO C1=C(CN2CCCCCC2)C[NH2+]C1 258124686 573767853 /nfs/dbraw/zinc/76/78/53/573767853.db2.gz PHZHPTXSORCZBM-UHFFFAOYSA-N 1 1 180.295 1.392 10 0 ADAEMO Cc1c[nH+]c(C(F)F)c(O)c1N 238508810 573767882 /nfs/dbraw/zinc/76/78/82/573767882.db2.gz IHOJUUXOGLEGLL-UHFFFAOYSA-N 1 1 174.150 1.615 10 0 ADAEMO CC[N@H+]1CCC[C@@H](CC2(O)CC2)C1 257871777 573767934 /nfs/dbraw/zinc/76/79/34/573767934.db2.gz DSGJXYOLXSSTST-JTQLQIEISA-N 1 1 183.295 1.633 10 0 ADAEMO C[C@]12CCCC[C@@H]1NC[NH2+]C2 238509785 573770268 /nfs/dbraw/zinc/77/02/68/573770268.db2.gz IJGZSWZGARGIFA-DTWKUNHWSA-N 1 1 154.257 1.086 10 0 ADAEMO COC(=O)C1=C(C2CC2)C[N@@H+](C)CC1 257871415 573770680 /nfs/dbraw/zinc/77/06/80/573770680.db2.gz TVRVYLSYYLTIQO-UHFFFAOYSA-N 1 1 195.262 1.202 10 0 ADAEMO CC[N@H+]1CCC[C@H](CC2(O)CC2)C1 257871778 573770756 /nfs/dbraw/zinc/77/07/56/573770756.db2.gz DSGJXYOLXSSTST-SNVBAGLBSA-N 1 1 183.295 1.633 10 0 ADAEMO Cc1nc2c(n1CCC[NH3+])CCCC2 76095336 573770794 /nfs/dbraw/zinc/77/07/94/573770794.db2.gz KIYCNBOEVDFDID-UHFFFAOYSA-N 1 1 193.294 1.419 10 0 ADAEMO C[C@@H](O)C(F)(F)C[C@@H]1CC[N@@H+](C)C1 257872498 573770816 /nfs/dbraw/zinc/77/08/16/573770816.db2.gz TYVXARPMQZPMLQ-SFYZADRCSA-N 1 1 193.237 1.344 10 0 ADAEMO CCC/C=C/[NH+]1CCOCC1 100096887 573770835 /nfs/dbraw/zinc/77/08/35/573770835.db2.gz WOXMXYYZKGMTFP-SNAWJCMRSA-N 1 1 155.241 1.632 10 0 ADAEMO C[N@H+]1CCCC[C@H]1CC1(O)CCC1 257871445 573770855 /nfs/dbraw/zinc/77/08/55/573770855.db2.gz AGRZMSPVFRWVOF-JTQLQIEISA-N 1 1 183.295 1.776 10 0 ADAEMO COC(=O)C/C=C\[C@H]1CC[N@@H+](C)C1 258124989 573770870 /nfs/dbraw/zinc/77/08/70/573770870.db2.gz IQQCKCATHHKMRS-TYRPZCRBSA-N 1 1 183.251 1.057 10 0 ADAEMO Cc1cn(C)c(C[NH+]2CCCCC2)n1 257870827 573770884 /nfs/dbraw/zinc/77/08/84/573770884.db2.gz HZDHHZGTPOHFPP-UHFFFAOYSA-N 1 1 193.294 1.714 10 0 ADAEMO CC1=NN(c2ccccc2)C(=O)C1[NH3+] 100071943 573770926 /nfs/dbraw/zinc/77/09/26/573770926.db2.gz QXLLMUATXAEVJJ-UHFFFAOYSA-N 1 1 189.218 1.469 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1CCC1(O)CC1 258124585 573770939 /nfs/dbraw/zinc/77/09/39/573770939.db2.gz UHOFJGYNOTVFLU-SNVBAGLBSA-N 1 1 183.295 1.776 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H]([C@@H](F)CO)C1 257874363 573772411 /nfs/dbraw/zinc/77/24/11/573772411.db2.gz UFAZRTUMNIXSLU-BDAKNGLRSA-N 1 1 189.274 1.437 10 0 ADAEMO CC(C)[C@@H](C)c1nnc(C[NH3+])s1 84116963 573772632 /nfs/dbraw/zinc/77/26/32/573772632.db2.gz NLCJYXVKDHDQSP-ZCFIWIBFSA-N 1 1 185.296 1.756 10 0 ADAEMO CC(C)c1cc(C[C@@H](C)[NH3+])n[nH]1 84122287 573772695 /nfs/dbraw/zinc/77/26/95/573772695.db2.gz PPASSWRDQSUARQ-SSDOTTSWSA-N 1 1 167.256 1.423 10 0 ADAEMO Oc1ccc2c(c1)OCCCC[NH2+]2 258423040 573772711 /nfs/dbraw/zinc/77/27/11/573772711.db2.gz WBONINOZQQOXSL-UHFFFAOYSA-N 1 1 179.219 1.977 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(C(F)F)s1 84119974 573772779 /nfs/dbraw/zinc/77/27/79/573772779.db2.gz PMEOJAKMJMVGOL-GSVOUGTGSA-N 1 1 193.222 1.756 10 0 ADAEMO CN(C)[C@H]([NH3+])c1cc(F)ccc1F 259567525 573772983 /nfs/dbraw/zinc/77/29/83/573772983.db2.gz OZRVOZXQIIQMJE-VIFPVBQESA-N 1 1 186.205 1.484 10 0 ADAEMO Cc1cccc([C@@H]2C[NH2+]C[C@H](N)C2)c1 238510578 573773035 /nfs/dbraw/zinc/77/30/35/573773035.db2.gz XMRUUDJXZJQENJ-NWDGAFQWSA-N 1 1 190.290 1.399 10 0 ADAEMO C[C@H]([NH3+])Cc1cc(C2CCCC2)[nH]n1 84122308 573773043 /nfs/dbraw/zinc/77/30/43/573773043.db2.gz LPXUMEMBXOHZKY-QMMMGPOBSA-N 1 1 193.294 1.957 10 0 ADAEMO CC(C)c1cc(C[C@H](C)[NH3+])n[nH]1 84122288 573773082 /nfs/dbraw/zinc/77/30/82/573773082.db2.gz PPASSWRDQSUARQ-ZETCQYMHSA-N 1 1 167.256 1.423 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(C(F)F)s1 84117444 573773140 /nfs/dbraw/zinc/77/31/40/573773140.db2.gz YPTFHAGOPLBQTJ-UWTATZPHSA-N 1 1 179.195 1.495 10 0 ADAEMO C[NH+](C)[C@H](O)c1ccc(F)cc1 259567854 573773165 /nfs/dbraw/zinc/77/31/65/573773165.db2.gz PBSJKEYKQZBGMD-SECBINFHSA-N 1 1 169.199 1.378 10 0 ADAEMO CNC([NH2+]C)c1cc(C)ccc1C 259180187 573773184 /nfs/dbraw/zinc/77/31/84/573773184.db2.gz DRTRRESPFZFHHU-UHFFFAOYSA-N 1 1 178.279 1.741 10 0 ADAEMO Oc1cccnc1C[NH2+]CCC1CC1 308719858 573773190 /nfs/dbraw/zinc/77/31/90/573773190.db2.gz CSJYROXZGPSQBB-UHFFFAOYSA-N 1 1 192.262 1.677 10 0 ADAEMO [NH3+]CCc1cc(C2CCCCC2)[nH]n1 84122211 573774159 /nfs/dbraw/zinc/77/41/59/573774159.db2.gz LUHPLORTBXDRMS-UHFFFAOYSA-N 1 1 193.294 1.959 10 0 ADAEMO C[C@@H]([NH3+])c1nnc([C@H]2CCCO2)s1 84117310 573774172 /nfs/dbraw/zinc/77/41/72/573774172.db2.gz MTNNAMNFDVLOCZ-PHDIDXHHSA-N 1 1 199.279 1.409 10 0 ADAEMO CC[C@@H]([NH3+])c1nnc(C(F)F)s1 84117859 573774211 /nfs/dbraw/zinc/77/42/11/573774211.db2.gz SPWLAGODZNBHNU-GSVOUGTGSA-N 1 1 193.222 1.886 10 0 ADAEMO CCC1=NN(CC)C(=O)C1CCC[NH3+] 257874459 573774231 /nfs/dbraw/zinc/77/42/31/573774231.db2.gz DPFSNXJDACUQOJ-UHFFFAOYSA-N 1 1 197.282 1.062 10 0 ADAEMO CCc1[nH]n(CC)c(=O)c1CCC[NH3+] 257874459 573774235 /nfs/dbraw/zinc/77/42/35/573774235.db2.gz DPFSNXJDACUQOJ-UHFFFAOYSA-N 1 1 197.282 1.062 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)NCCOC(C)(C)C 308716917 573774246 /nfs/dbraw/zinc/77/42/46/573774246.db2.gz BPUWVTFJVZTIMY-IUCAKERBSA-N 1 1 188.315 1.127 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]CCOC(C)(C)C 308716917 573774252 /nfs/dbraw/zinc/77/42/52/573774252.db2.gz BPUWVTFJVZTIMY-IUCAKERBSA-N 1 1 188.315 1.127 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C)NCCOC(C)(C)C 308716914 573774266 /nfs/dbraw/zinc/77/42/66/573774266.db2.gz BPUWVTFJVZTIMY-DTWKUNHWSA-N 1 1 188.315 1.127 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+]CCOC(C)(C)C 308716914 573774270 /nfs/dbraw/zinc/77/42/70/573774270.db2.gz BPUWVTFJVZTIMY-DTWKUNHWSA-N 1 1 188.315 1.127 10 0 ADAEMO Cc1[nH]c(CC2C[NH2+]C2)nc1C1CC1 257874394 573774288 /nfs/dbraw/zinc/77/42/88/573774288.db2.gz UFNCGCLCWJGRHK-UHFFFAOYSA-N 1 1 191.278 1.357 10 0 ADAEMO CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)CN 84125303 573774303 /nfs/dbraw/zinc/77/43/03/573774303.db2.gz CYFHYDLMYYGQRO-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@@H]2CCCO2)s1 84117307 573774515 /nfs/dbraw/zinc/77/45/15/573774515.db2.gz MTNNAMNFDVLOCZ-WDSKDSINSA-N 1 1 199.279 1.409 10 0 ADAEMO CC(C)[C@H]1CCC[N@H+]1CC(N)=S 84126038 573774608 /nfs/dbraw/zinc/77/46/08/573774608.db2.gz WDBUHIQLRQXPHQ-MRVPVSSYSA-N 1 1 186.324 1.393 10 0 ADAEMO [NH3+]Cc1nc(-c2cccc(F)c2)co1 257875423 573774671 /nfs/dbraw/zinc/77/46/71/573774671.db2.gz ULQXWCSFHTXOEM-UHFFFAOYSA-N 1 1 192.193 1.939 10 0 ADAEMO C[NH+](C)[C@@H](O)c1ccc(F)cc1 259567858 573774703 /nfs/dbraw/zinc/77/47/03/573774703.db2.gz PBSJKEYKQZBGMD-VIFPVBQESA-N 1 1 169.199 1.378 10 0 ADAEMO CC(C)[C@H]1CCC[N@H+]1C(C)(C)CN 84125433 573774763 /nfs/dbraw/zinc/77/47/63/573774763.db2.gz JYTXSQPOPSEWSL-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO C[N@@H+](CC1CC1)CC(C)(C)CCO 308435906 573774771 /nfs/dbraw/zinc/77/47/71/573774771.db2.gz WKMMTOIEMHSXBL-UHFFFAOYSA-N 1 1 185.311 1.737 10 0 ADAEMO Cc1occc1-c1nnc(C[NH3+])s1 84116975 573774784 /nfs/dbraw/zinc/77/47/84/573774784.db2.gz PRUBVASXUGYWRE-UHFFFAOYSA-N 1 1 195.247 1.565 10 0 ADAEMO CC(C)(C)Cc1nnc(C[NH3+])s1 84116966 573774932 /nfs/dbraw/zinc/77/49/32/573774932.db2.gz HIWSHZFVFNWGAZ-UHFFFAOYSA-N 1 1 185.296 1.585 10 0 ADAEMO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCCNC1 84126089 573774957 /nfs/dbraw/zinc/77/49/57/573774957.db2.gz RXYUZJGOUXZXHW-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO Cc1sc(CN)nc1[C@H]1CCC[NH2+]1 258127584 573774143 /nfs/dbraw/zinc/77/41/43/573774143.db2.gz PZWNYFSDSKVYEE-SSDOTTSWSA-N 1 1 197.307 1.335 10 0 ADAEMO CC(C)Cc1[nH+]cc2n1CC[C@H](O)C2 258423796 573776272 /nfs/dbraw/zinc/77/62/72/573776272.db2.gz VZRKEQNNIXJOTL-JTQLQIEISA-N 1 1 194.278 1.389 10 0 ADAEMO C[NH2+]CNc1cc(F)ccc1OC 258940505 573776289 /nfs/dbraw/zinc/77/62/89/573776289.db2.gz SZADGOJFVDLIPH-UHFFFAOYSA-N 1 1 184.214 1.423 10 0 ADAEMO C[N@@H+](CC1(CO)CCC1)C1CCC1 258935672 573776327 /nfs/dbraw/zinc/77/63/27/573776327.db2.gz IEUGYAKXGQPHAL-UHFFFAOYSA-N 1 1 183.295 1.633 10 0 ADAEMO C[C@@H]([NH3+])c1nnc([C@@H]2CCCO2)s1 84117308 573776331 /nfs/dbraw/zinc/77/63/31/573776331.db2.gz MTNNAMNFDVLOCZ-RITPCOANSA-N 1 1 199.279 1.409 10 0 ADAEMO C[C@@H]1C[C@H](N)C[N@@H+](C[C@@]2(C)C[C@H]2C)C1 714745395 573776333 /nfs/dbraw/zinc/77/63/33/573776333.db2.gz OMJUJWUKQZVNOI-WISYIIOYSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])CN(C[C@@]2(C)C[C@H]2C)C1 714745395 573776336 /nfs/dbraw/zinc/77/63/36/573776336.db2.gz OMJUJWUKQZVNOI-WISYIIOYSA-N 1 1 196.338 1.702 10 0 ADAEMO CC[C@H](C[NH3+])[N@@H+](CCOC)C(C)C 131168329 573776340 /nfs/dbraw/zinc/77/63/40/573776340.db2.gz LKJFIWMKAURNIP-SNVBAGLBSA-N 1 1 188.315 1.081 10 0 ADAEMO CC[C@H](C[NH3+])N(CCOC)C(C)C 131168329 573776344 /nfs/dbraw/zinc/77/63/44/573776344.db2.gz LKJFIWMKAURNIP-SNVBAGLBSA-N 1 1 188.315 1.081 10 0 ADAEMO C[N@H+]1CC[C@](CO)(CC2CCCC2)C1 258935499 573776419 /nfs/dbraw/zinc/77/64/19/573776419.db2.gz XTXGTQSXNASNJB-LBPRGKRZSA-N 1 1 197.322 1.881 10 0 ADAEMO CC[C@@H](C[NH3+])[N@@H+](CCOC)C(C)C 131168112 573776477 /nfs/dbraw/zinc/77/64/77/573776477.db2.gz LKJFIWMKAURNIP-JTQLQIEISA-N 1 1 188.315 1.081 10 0 ADAEMO CC[C@@H](C[NH3+])N(CCOC)C(C)C 131168112 573776480 /nfs/dbraw/zinc/77/64/80/573776480.db2.gz LKJFIWMKAURNIP-JTQLQIEISA-N 1 1 188.315 1.081 10 0 ADAEMO C[NH2+]Cc1nnc([C@@H]2CCCO2)s1 84118417 573776486 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178.279 1.382 10 0 ADAEMO CNc1nc(N2CC[C@H](F)C2)cc[nH+]1 689822672 573792107 /nfs/dbraw/zinc/79/21/07/573792107.db2.gz ABSAAKSTHPXWSG-ZETCQYMHSA-N 1 1 196.229 1.067 10 0 ADAEMO CN[C@H]([NH3+])c1cc(C)ccc1OC 259185262 573792114 /nfs/dbraw/zinc/79/21/14/573792114.db2.gz FKWKVKGGAGWOMA-JTQLQIEISA-N 1 1 180.251 1.180 10 0 ADAEMO C[C@@H]([C@@H](C)O)[N@@H+](C)C1CCC(=O)CC1 87130990 573792134 /nfs/dbraw/zinc/79/21/34/573792134.db2.gz PXRWSHOCFGMEST-DTWKUNHWSA-N 1 1 199.294 1.199 10 0 ADAEMO C[C@H](O)[C@@H](C)[N@H+]1CCCSCC1 87137641 573792148 /nfs/dbraw/zinc/79/21/48/573792148.db2.gz FPRVBEIKSCILPJ-BDAKNGLRSA-N 1 1 189.324 1.195 10 0 ADAEMO N[C@@H](c1ccc(F)cc1)C1C[NH2+]C1 259188002 573792157 /nfs/dbraw/zinc/79/21/57/573792157.db2.gz FNGLTYWRSSRHKO-JTQLQIEISA-N 1 1 180.226 1.045 10 0 ADAEMO CCCCCOC(=O)[C@@H]([NH3+])CCC 40954334 573792161 /nfs/dbraw/zinc/79/21/61/573792161.db2.gz OMHHAWHMQFPCSX-VIFPVBQESA-N 1 1 187.283 1.847 10 0 ADAEMO CC[C@H](F)C[N@H+]1CC[C@H]([C@H](C)O)C1 308433285 573792188 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HAVDKYIZOBKJCE-SNVBAGLBSA-N 1 1 189.218 1.426 10 0 ADAEMO Nc1[nH+]cc(O)c2ccccc12 84235679 573802159 /nfs/dbraw/zinc/80/21/59/573802159.db2.gz NDIXFQQCVHZNGP-UHFFFAOYSA-N 1 1 160.176 1.523 10 0 ADAEMO CCC[N@H+]1CC[C@H](C[NH2+]C)C1(C)C 259193492 573802233 /nfs/dbraw/zinc/80/22/33/573802233.db2.gz BPYTYYRRZZMVNK-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO CNc1ncc([C@H]2CCC[N@@H+](C)C2)o1 259194821 573802314 /nfs/dbraw/zinc/80/23/14/573802314.db2.gz PWYFQNCWJCMUCA-QMMMGPOBSA-N 1 1 195.266 1.526 10 0 ADAEMO C[N@@H+](CCC1CCC1)[C@H]1CCC[C@@H]1N 258953234 573802365 /nfs/dbraw/zinc/80/23/65/573802365.db2.gz KPEOOEGEROBRLW-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO CN(CCC1CCC1)[C@H]1CCC[C@@H]1[NH3+] 258953234 573802368 /nfs/dbraw/zinc/80/23/68/573802368.db2.gz KPEOOEGEROBRLW-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO COC(=O)C1([C@@H]2CCC[N@@H+](C)C2)CC1 259194201 573802626 /nfs/dbraw/zinc/80/26/26/573802626.db2.gz KOYLVZSZGNCNKW-SECBINFHSA-N 1 1 197.278 1.281 10 0 ADAEMO 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IKMXGEXVMWBMEA-MRVPVSSYSA-N 1 1 183.251 1.034 10 0 ADAEMO Cc1ocnc1C[N@@H+](C)CC(C)(C)O 127246079 573803018 /nfs/dbraw/zinc/80/30/18/573803018.db2.gz PDCNHPKYBRCYJK-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1ocnc1C[N@H+](C)CC(C)(C)O 127246079 573803023 /nfs/dbraw/zinc/80/30/23/573803023.db2.gz PDCNHPKYBRCYJK-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO CC(C)(C[NH2+]CN)c1ccccc1 258954622 573803069 /nfs/dbraw/zinc/80/30/69/573803069.db2.gz VEBJQMKRDCSBEI-UHFFFAOYSA-N 1 1 178.279 1.470 10 0 ADAEMO C[N@@H+](CCCO)Cc1ccccc1N 43444332 573803095 /nfs/dbraw/zinc/80/30/95/573803095.db2.gz SBUHGQZTKBGLSE-UHFFFAOYSA-N 1 1 194.278 1.083 10 0 ADAEMO C[N@@H+](C1CCC1)[C@@](C)(CN)C1(C)CC1 127245045 573803096 /nfs/dbraw/zinc/80/30/96/573803096.db2.gz RHISZPWHISUCKF-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CN(C1CCC1)[C@@](C)(C[NH3+])C1(C)CC1 127245045 573803103 /nfs/dbraw/zinc/80/31/03/573803103.db2.gz RHISZPWHISUCKF-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CC(c2ccncc2)=NNC1=[NH2+] 84240119 573803132 /nfs/dbraw/zinc/80/31/32/573803132.db2.gz SACDTVWRFLIERQ-ZETCQYMHSA-N 1 1 188.234 1.183 10 0 ADAEMO Cc1c([C@@H]([NH3+])CN)ccc2c1CCC2 238515802 573803154 /nfs/dbraw/zinc/80/31/54/573803154.db2.gz GKCPKYOBKIWCDB-LBPRGKRZSA-N 1 1 190.290 1.442 10 0 ADAEMO C=Cc1[nH+]c(N)ccc1C 209743009 573803195 /nfs/dbraw/zinc/80/31/95/573803195.db2.gz ZXMDRWPTUHWKKR-UHFFFAOYSA-N 1 1 134.182 1.615 10 0 ADAEMO COC(=O)[C@H]1CCC[N@H+](C2CC2)C1 259194335 573803242 /nfs/dbraw/zinc/80/32/42/573803242.db2.gz IKMXGEXVMWBMEA-QMMMGPOBSA-N 1 1 183.251 1.034 10 0 ADAEMO Cc1ocnc1C[N@@H+](CCO)C(C)C 127245280 573803277 /nfs/dbraw/zinc/80/32/77/573803277.db2.gz DNORXIKPRPHUCI-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1ocnc1C[N@H+](CCO)C(C)C 127245280 573803282 /nfs/dbraw/zinc/80/32/82/573803282.db2.gz DNORXIKPRPHUCI-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO CCC[N@@H+](C)CC1(C(=O)OC)CCC1 258956571 573803286 /nfs/dbraw/zinc/80/32/86/573803286.db2.gz JYDQAMASYDDBQC-UHFFFAOYSA-N 1 1 199.294 1.672 10 0 ADAEMO CC[N@H+](C1CC1)[C@@H](C)C1C[NH2+]C1 686255391 573803326 /nfs/dbraw/zinc/80/33/26/573803326.db2.gz GYIDSXLNJIVCEY-QMMMGPOBSA-N 1 1 168.284 1.079 10 0 ADAEMO NCc1cc2c(C[NH3+])cccc2o1 258131602 573803369 /nfs/dbraw/zinc/80/33/69/573803369.db2.gz VAYHOXMYIJUFFT-UHFFFAOYSA-N 1 1 176.219 1.350 10 0 ADAEMO [NH3+]Cc1nnc([C@@H]2CCCSC2)o1 258134164 573803456 /nfs/dbraw/zinc/80/34/56/573803456.db2.gz QMTLRFNHUYTJNM-ZCFIWIBFSA-N 1 1 199.279 1.139 10 0 ADAEMO C/C=C\COC(=O)[C@H](CC)[NH+](C)C 308439725 573803587 /nfs/dbraw/zinc/80/35/87/573803587.db2.gz YLQRPWCLWGDSPU-PGBBXKAQSA-N 1 1 185.267 1.446 10 0 ADAEMO CC[N@H+]1C[C@H](CCO)CCC1(C)C 259571246 573803679 /nfs/dbraw/zinc/80/36/79/573803679.db2.gz YQEFOUGVURUCLE-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO Nc1[nH+]cccc1NC1CCOCC1 122718134 573803774 /nfs/dbraw/zinc/80/37/74/573803774.db2.gz SQHZQPCJNGVIPP-UHFFFAOYSA-N 1 1 193.250 1.255 10 0 ADAEMO C[NH2+][C@@H](CCN1CCC1)C(C)(C)C 393591115 573806712 /nfs/dbraw/zinc/80/67/12/573806712.db2.gz PKBUPPYWLZWZKT-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO Cc1cc(Cn2cc[nH+]c2C)n(C)n1 84268563 573806734 /nfs/dbraw/zinc/80/67/34/573806734.db2.gz AHKRGCFMDWXCPL-UHFFFAOYSA-N 1 1 190.250 1.282 10 0 ADAEMO CCC(CC)[C@]1(O)CC[N@@H+](C)C1 87158486 573806765 /nfs/dbraw/zinc/80/67/65/573806765.db2.gz NIGAOVFVIWWUSA-JTQLQIEISA-N 1 1 171.284 1.489 10 0 ADAEMO Cc1cc(F)c(F)c(C(=O)C[NH3+])c1 258133725 573805889 /nfs/dbraw/zinc/80/58/89/573805889.db2.gz RSYBOVFBUURCCT-UHFFFAOYSA-N 1 1 185.173 1.415 10 0 ADAEMO C[C@@H]1CCO[C@@H]1c1cnc(C[NH3+])o1 125156031 573805894 /nfs/dbraw/zinc/80/58/94/573805894.db2.gz XVXTVSXJXRHFTO-MUWHJKNJSA-N 1 1 182.223 1.231 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H](/C=C\CO)C1 258134736 573805974 /nfs/dbraw/zinc/80/59/74/573805974.db2.gz JGSIXLVMAMSEEV-QZPNVGJNSA-N 1 1 183.295 1.655 10 0 ADAEMO C[C@@H]1CCO[C@H]1c1cnc(C[NH3+])o1 125156451 573806174 /nfs/dbraw/zinc/80/61/74/573806174.db2.gz XVXTVSXJXRHFTO-HZGVNTEJSA-N 1 1 182.223 1.231 10 0 ADAEMO C/C=C\COC(=O)[C@@H](CC)[NH+](C)C 308439727 573806184 /nfs/dbraw/zinc/80/61/84/573806184.db2.gz YLQRPWCLWGDSPU-WILPJHFFSA-N 1 1 185.267 1.446 10 0 ADAEMO CC[NH2+][C@H](CCN(C)C)CC(C)C 131279151 573806204 /nfs/dbraw/zinc/80/62/04/573806204.db2.gz VNEALTBZVKJHAX-LLVKDONJSA-N 1 1 186.343 1.962 10 0 ADAEMO CCc1nc(CCC[C@H](C)[NH3+])n[nH]1 122724556 573806358 /nfs/dbraw/zinc/80/63/58/573806358.db2.gz BHKSKSAGIWEIBE-ZETCQYMHSA-N 1 1 182.271 1.037 10 0 ADAEMO CCc1nnc(CCC[C@H](C)[NH3+])[nH]1 122724556 573806363 /nfs/dbraw/zinc/80/63/63/573806363.db2.gz BHKSKSAGIWEIBE-ZETCQYMHSA-N 1 1 182.271 1.037 10 0 ADAEMO COC[C@H](C)C[N@@H+](C)CC1(F)CC1 308439527 573806370 /nfs/dbraw/zinc/80/63/70/573806370.db2.gz YJERHSXXPFMYQG-SECBINFHSA-N 1 1 189.274 1.703 10 0 ADAEMO C[N@@H+](CC(C)(C)C)C(C)(C)CO 258959485 573806497 /nfs/dbraw/zinc/80/64/97/573806497.db2.gz XQVMTIYYWZAXKU-UHFFFAOYSA-N 1 1 173.300 1.735 10 0 ADAEMO CCC[N@H+](C)CC(=O)OC(C)C 43447004 573806537 /nfs/dbraw/zinc/80/65/37/573806537.db2.gz CGZQZLJHFDPKPU-UHFFFAOYSA-N 1 1 173.256 1.280 10 0 ADAEMO CCC[N@@H+](C)CC(=O)OC(C)C 43447004 573806540 /nfs/dbraw/zinc/80/65/40/573806540.db2.gz CGZQZLJHFDPKPU-UHFFFAOYSA-N 1 1 173.256 1.280 10 0 ADAEMO C[C@H]1CCO[C@@H]1c1cnc(C[NH3+])o1 125156259 573806542 /nfs/dbraw/zinc/80/65/42/573806542.db2.gz XVXTVSXJXRHFTO-RCOVLWMOSA-N 1 1 182.223 1.231 10 0 ADAEMO C[N@H+](C1CCC1)[C@H](CN)C1CCC1 127264570 573806656 /nfs/dbraw/zinc/80/66/56/573806656.db2.gz VKVAAICLXWLQTO-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO CN(C1CCC1)[C@H](C[NH3+])C1CCC1 127264570 573806659 /nfs/dbraw/zinc/80/66/59/573806659.db2.gz VKVAAICLXWLQTO-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@H](CN)[C@]1(C)C[C@@H]1C 714749336 573810176 /nfs/dbraw/zinc/81/01/76/573810176.db2.gz ZKUUUTDUERVBFW-YBXAARCKSA-N 1 1 196.338 1.700 10 0 ADAEMO C[C@H]1[C@H](C)CN1[C@H](C[NH3+])[C@]1(C)C[C@@H]1C 714749336 573810178 /nfs/dbraw/zinc/81/01/78/573810178.db2.gz ZKUUUTDUERVBFW-YBXAARCKSA-N 1 1 196.338 1.700 10 0 ADAEMO CC[C@H](C)[C@@H](CN)[N@@H+](C)C1CCC1 127258183 573809273 /nfs/dbraw/zinc/80/92/73/573809273.db2.gz LFDPHMNKNQBTSK-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[N@H+]1CCC(C)(C)[C@H](O)C1 258955247 573809337 /nfs/dbraw/zinc/80/93/37/573809337.db2.gz ZGOCIGQGSYGWEH-SNVBAGLBSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@H](C)[NH2+]C(C)(C)CNC 258955691 573809514 /nfs/dbraw/zinc/80/95/14/573809514.db2.gz MBQKPQPVNHTMJJ-QMMMGPOBSA-N 1 1 158.289 1.373 10 0 ADAEMO C[N@@H+](Cc1ccc[nH]1)CC1(CO)CC1 258955617 573809544 /nfs/dbraw/zinc/80/95/44/573809544.db2.gz REEZGUNIDYTXFF-UHFFFAOYSA-N 1 1 194.278 1.219 10 0 ADAEMO CCC[C@H](CN)[N@@H+](C)C1CCC1 127268611 573809565 /nfs/dbraw/zinc/80/95/65/573809565.db2.gz IUXNLKQWXWBDPZ-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@H](C[NH3+])N(C)C1CCC1 127268611 573809570 /nfs/dbraw/zinc/80/95/70/573809570.db2.gz IUXNLKQWXWBDPZ-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)C1(C[NH2+][C@H](C)[C@@H](C)N)CC1 393563860 573809575 /nfs/dbraw/zinc/80/95/75/573809575.db2.gz FVVIBVAMOLAZME-NXEZZACHSA-N 1 1 184.327 1.748 10 0 ADAEMO C[NH2+][C@@H](O)c1cc(Cl)ccc1F 259196227 573809616 /nfs/dbraw/zinc/80/96/16/573809616.db2.gz FERYZKDFYWMZMS-QMMMGPOBSA-N 1 1 189.617 1.689 10 0 ADAEMO C[C@H](O)c1cnc([C@H]2CCCC[NH2+]2)o1 257879756 573809618 /nfs/dbraw/zinc/80/96/18/573809618.db2.gz AFRLBTINTAIDPG-JGVFFNPUSA-N 1 1 196.250 1.543 10 0 ADAEMO CCC(CC)[N@H+]1CCC[C@@H](O)C1 87171727 573809640 /nfs/dbraw/zinc/80/96/40/573809640.db2.gz QMSLHRLZBRXZGY-SNVBAGLBSA-N 1 1 171.284 1.632 10 0 ADAEMO CC(C)C[N@H+]1CCC(C)(C)[C@@H](O)C1 258955243 573809742 /nfs/dbraw/zinc/80/97/42/573809742.db2.gz ZGOCIGQGSYGWEH-JTQLQIEISA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)[C@]1(C)CN(C)CC[N@H+]1C 259194395 573809743 /nfs/dbraw/zinc/80/97/43/573809743.db2.gz YFPBISBCQVRGMH-JTQLQIEISA-N 1 1 170.300 1.278 10 0 ADAEMO CC(C)[C@]1(C)C[N@H+](C)CCN1C 259194395 573809747 /nfs/dbraw/zinc/80/97/47/573809747.db2.gz YFPBISBCQVRGMH-JTQLQIEISA-N 1 1 170.300 1.278 10 0 ADAEMO CC(C)[C@]1(C)C[N@@H+](C)CCN1C 259194395 573809751 /nfs/dbraw/zinc/80/97/51/573809751.db2.gz YFPBISBCQVRGMH-JTQLQIEISA-N 1 1 170.300 1.278 10 0 ADAEMO C[NH2+]Cc1ncc([C@@H]2OCC[C@H]2C)o1 125159970 573809773 /nfs/dbraw/zinc/80/97/73/573809773.db2.gz FXCCFKDXTFVYCY-GMSGAONNSA-N 1 1 196.250 1.492 10 0 ADAEMO CC(C)c1c[nH]c(CCCO)[nH+]1 259195546 573809806 /nfs/dbraw/zinc/80/98/06/573809806.db2.gz XDLHVVIWROIFMC-UHFFFAOYSA-N 1 1 168.240 1.458 10 0 ADAEMO C[C@H]1[C@H](C)CN1[C@H](C[NH3+])[C@]1(C)C[C@H]1C 714749179 573809897 /nfs/dbraw/zinc/80/98/97/573809897.db2.gz ZKUUUTDUERVBFW-RMPHRYRLSA-N 1 1 196.338 1.700 10 0 ADAEMO CC[N@H+]1C[C@@H](CO)CC1(C)C 259199460 573812458 /nfs/dbraw/zinc/81/24/58/573812458.db2.gz BXNNYNQHQZVAGV-QMMMGPOBSA-N 1 1 157.257 1.099 10 0 ADAEMO C[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)C1CCC1 127365833 573812464 /nfs/dbraw/zinc/81/24/64/573812464.db2.gz NUNFAPCFAVVQSR-NXEZZACHSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@@]1(C[NH2+]CC2CC2)CCCCN1 127359685 573812501 /nfs/dbraw/zinc/81/25/01/573812501.db2.gz WFMWJBMZOLWIOJ-NSHDSACASA-N 1 1 182.311 1.518 10 0 ADAEMO c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)[nH]n1 41047323 573811705 /nfs/dbraw/zinc/81/17/05/573811705.db2.gz NCPDNIRCCZKALR-IQJOONFLSA-N 1 1 191.278 1.688 10 0 ADAEMO [NH3+]C[C@]1(c2ccccc2F)CCCN1 258141297 573811745 /nfs/dbraw/zinc/81/17/45/573811745.db2.gz KWOTVFHMGAJDAC-NSHDSACASA-N 1 1 194.253 1.363 10 0 ADAEMO CC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 41047639 573811835 /nfs/dbraw/zinc/81/18/35/573811835.db2.gz FKUXZXMZVLRPES-VXNVDRBHSA-N 1 1 185.267 1.326 10 0 ADAEMO CCC(CC)[N@H+]1CCNCC[C@@H]1C 87175676 573811914 /nfs/dbraw/zinc/81/19/14/573811914.db2.gz BAKGQBGJHYHMEQ-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO C[N@@H+](C[C@@H](N)C(C)(C)C)C1CCC1 127354128 573811943 /nfs/dbraw/zinc/81/19/43/573811943.db2.gz IWSLIFAYOXGVSN-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CN(C[C@@H]([NH3+])C(C)(C)C)C1CCC1 127354128 573811957 /nfs/dbraw/zinc/81/19/57/573811957.db2.gz IWSLIFAYOXGVSN-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO C1C[C@H]2C[NH2+]C[C@@H]3CCCN(C1)C23 238121878 573811985 /nfs/dbraw/zinc/81/19/85/573811985.db2.gz JZFBFUZYCUSECW-UWVGGRQHSA-N 1 1 180.295 1.080 10 0 ADAEMO CCCC[NH2+]C[C@]1(C)CCCCN1 127360480 573811986 /nfs/dbraw/zinc/81/19/86/573811986.db2.gz GRXFDEVACWQMIN-NSHDSACASA-N 1 1 184.327 1.908 10 0 ADAEMO Cc1[nH]c(CC[NH3+])nc1C1CC1 258435296 573812123 /nfs/dbraw/zinc/81/21/23/573812123.db2.gz DHZCYRSWEXAJFH-UHFFFAOYSA-N 1 1 165.240 1.097 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1C1(N)CC1 258130682 573812164 /nfs/dbraw/zinc/81/21/64/573812164.db2.gz URZRRBJVUDYRGK-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO CCN1CCCC[C@H]1C1([NH3+])CC1 258130682 573812168 /nfs/dbraw/zinc/81/21/68/573812168.db2.gz URZRRBJVUDYRGK-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO CCOC(=O)[C@H]([NH+](C)C)C(C)(C)C 259198986 573812201 /nfs/dbraw/zinc/81/22/01/573812201.db2.gz OMCGHDOUVGCPCR-QMMMGPOBSA-N 1 1 187.283 1.526 10 0 ADAEMO [NH3+]C[C@@]1(c2ccccc2F)CCCN1 258141293 573812204 /nfs/dbraw/zinc/81/22/04/573812204.db2.gz KWOTVFHMGAJDAC-LLVKDONJSA-N 1 1 194.253 1.363 10 0 ADAEMO NC(=[NH2+])c1ccc(Cl)o1 84298053 573812351 /nfs/dbraw/zinc/81/23/51/573812351.db2.gz DLMGSOLRUWARGD-UHFFFAOYSA-N 1 1 144.561 1.217 10 0 ADAEMO CC[C@H](C)[NH2+][C@H](C(=O)OC)C1CC1 41047638 573812399 /nfs/dbraw/zinc/81/23/99/573812399.db2.gz FKUXZXMZVLRPES-CBAPKCEASA-N 1 1 185.267 1.326 10 0 ADAEMO CCOC(=O)[C@@H]([NH+](C)C)C(C)(C)C 259198983 573812400 /nfs/dbraw/zinc/81/24/00/573812400.db2.gz OMCGHDOUVGCPCR-MRVPVSSYSA-N 1 1 187.283 1.526 10 0 ADAEMO CC[C@H](C)[NH2+]C[C@@]1(C)CCCCN1 127356870 573812413 /nfs/dbraw/zinc/81/24/13/573812413.db2.gz ODINZRMHWIRZHM-WDEREUQCSA-N 1 1 184.327 1.907 10 0 ADAEMO C[C@@H](CC[NH3+])N(C)Cc1ccncc1 41042585 573812433 /nfs/dbraw/zinc/81/24/33/573812433.db2.gz FOJLFVOHOYFHAS-JTQLQIEISA-N 1 1 193.294 1.251 10 0 ADAEMO COc1ccc(F)cc1[C@@H]([NH3+])OC 259571494 573812438 /nfs/dbraw/zinc/81/24/38/573812438.db2.gz VPGOXFIMCIBGKC-VIFPVBQESA-N 1 1 185.198 1.438 10 0 ADAEMO C[N@@H+](CC1CC1)[C@@H](CN)C(C)(C)C 41051637 573818937 /nfs/dbraw/zinc/81/89/37/573818937.db2.gz IXHWIGJPEIEFKA-JTQLQIEISA-N 1 1 184.327 1.702 10 0 ADAEMO CN[C@@H](c1ccc[nH]1)C1(C[NH3+])CC1 259200529 573819003 /nfs/dbraw/zinc/81/90/03/573819003.db2.gz FIMZXQJMOPZDBL-VIFPVBQESA-N 1 1 179.267 1.014 10 0 ADAEMO [NH3+]C[C@H]1CCCC[C@@H]1c1nc[nH]n1 84300558 573819033 /nfs/dbraw/zinc/81/90/33/573819033.db2.gz GEERQMBCTIXEEN-SFYZADRCSA-N 1 1 180.255 1.037 10 0 ADAEMO CN1CC[C@@H](C[NH2+]CC(C)(C)C)C1 41051407 573819059 /nfs/dbraw/zinc/81/90/59/573819059.db2.gz MRRCJITVWMTYBX-JTQLQIEISA-N 1 1 184.327 1.574 10 0 ADAEMO C[NH2+]C[C@H](C(C)C)[C@@H](N)c1cc[nH]c1 259200518 573819062 /nfs/dbraw/zinc/81/90/62/573819062.db2.gz DKMOZXCSAOOQLQ-MNOVXSKESA-N 1 1 195.310 1.506 10 0 ADAEMO C[C@H]1CCO[C@@H]1c1nnc(C[NH3+])s1 125189733 573819123 /nfs/dbraw/zinc/81/91/23/573819123.db2.gz KGKQTNCGILQQDH-FSPLSTOPSA-N 1 1 199.279 1.094 10 0 ADAEMO CCCC[C@H](CN)[N@@H+](C)CCC 41053122 573819258 /nfs/dbraw/zinc/81/92/58/573819258.db2.gz ASJYXEYNQWNXGM-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CCCC[C@H](C[NH3+])N(C)CCC 41053122 573819261 /nfs/dbraw/zinc/81/92/61/573819261.db2.gz ASJYXEYNQWNXGM-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CCCC[C@H](C[NH3+])N(CC)CC 41053042 573819340 /nfs/dbraw/zinc/81/93/40/573819340.db2.gz PRWXOBMPEUMWPZ-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO Cc1n[nH]c([C@@H]2CCCC[C@@H]2C[NH3+])n1 84300407 573819379 /nfs/dbraw/zinc/81/93/79/573819379.db2.gz NEJZKOUMSGHTLE-RKDXNWHRSA-N 1 1 194.282 1.346 10 0 ADAEMO Cc1nnc([C@@H]2CCCC[C@@H]2C[NH3+])[nH]1 84300407 573819384 /nfs/dbraw/zinc/81/93/84/573819384.db2.gz NEJZKOUMSGHTLE-RKDXNWHRSA-N 1 1 194.282 1.346 10 0 ADAEMO CCCC[C@@H](C[NH3+])N1CCCCC1 41053077 573819395 /nfs/dbraw/zinc/81/93/95/573819395.db2.gz PIHVSTAOBUWCKF-NSHDSACASA-N 1 1 184.327 1.990 10 0 ADAEMO CCCC[C@H](CN)[N@@H+](C)CC1CC1 41053197 573819505 /nfs/dbraw/zinc/81/95/05/573819505.db2.gz ODOPEVYPMTUUCT-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCCC[C@H](C[NH3+])N(C)CC1CC1 41053197 573819510 /nfs/dbraw/zinc/81/95/10/573819510.db2.gz ODOPEVYPMTUUCT-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H]1CNc2ccc[nH+]c2N1 84305534 573820625 /nfs/dbraw/zinc/82/06/25/573820625.db2.gz FOVLIIUOTXECQQ-SSDOTTSWSA-N 1 1 163.224 1.698 10 0 ADAEMO CCCC[C@H](CN)[N@@H+](C)CC 41053104 573820634 /nfs/dbraw/zinc/82/06/34/573820634.db2.gz BEOIPSKLLIIXRQ-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCCC[C@H](C[NH3+])N(C)CC 41053104 573820640 /nfs/dbraw/zinc/82/06/40/573820640.db2.gz BEOIPSKLLIIXRQ-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CC(C)C[N@H+](C1CC1)[C@@H]1CCCNC1 43501355 573821380 /nfs/dbraw/zinc/82/13/80/573821380.db2.gz ADOPSIIRPDSUDY-GFCCVEGCSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)C[N@@H+](C1CC1)[C@@H]1CCCNC1 43501355 573821386 /nfs/dbraw/zinc/82/13/86/573821386.db2.gz ADOPSIIRPDSUDY-GFCCVEGCSA-N 1 1 196.338 1.859 10 0 ADAEMO [NH3+]C[C@@H]1CCCC[C@H]1c1nc[nH]n1 84300563 573821388 /nfs/dbraw/zinc/82/13/88/573821388.db2.gz GEERQMBCTIXEEN-JGVFFNPUSA-N 1 1 180.255 1.037 10 0 ADAEMO CC1(C)C[C@@H](O)C[N@H+]1C[C@H]1CCCO1 259204662 573820710 /nfs/dbraw/zinc/82/07/10/573820710.db2.gz CGNJXSYPPJWKPQ-NXEZZACHSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1CCO[C@H]1c1nnc(C[NH3+])s1 125189930 573820856 /nfs/dbraw/zinc/82/08/56/573820856.db2.gz KGKQTNCGILQQDH-IYSWYEEDSA-N 1 1 199.279 1.094 10 0 ADAEMO C[N@@H+](CCCF)C1(CO)CCCC1 308446899 573820975 /nfs/dbraw/zinc/82/09/75/573820975.db2.gz BOUGLTRPOXTQOF-UHFFFAOYSA-N 1 1 189.274 1.583 10 0 ADAEMO CCCc1[nH+]cc2c(O)cccn12 258147636 573821081 /nfs/dbraw/zinc/82/10/81/573821081.db2.gz HPOAGUGHDCJQPY-UHFFFAOYSA-N 1 1 176.219 1.992 10 0 ADAEMO C[N@@H+](C[C@@H]([NH3+])C1CC1)C1CCC1 127314432 573821083 /nfs/dbraw/zinc/82/10/83/573821083.db2.gz ABIONPFXGKKDSQ-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CN(C[C@@H]([NH3+])C1CC1)C1CCC1 127314432 573821088 /nfs/dbraw/zinc/82/10/88/573821088.db2.gz ABIONPFXGKKDSQ-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CCc1nc([C@@H]2CCC[C@@H]2C[NH3+])n[nH]1 84306176 573821130 /nfs/dbraw/zinc/82/11/30/573821130.db2.gz RDTOTCAMQZDDFF-HTQZYQBOSA-N 1 1 194.282 1.210 10 0 ADAEMO CCc1nnc([C@@H]2CCC[C@@H]2C[NH3+])[nH]1 84306176 573821137 /nfs/dbraw/zinc/82/11/37/573821137.db2.gz RDTOTCAMQZDDFF-HTQZYQBOSA-N 1 1 194.282 1.210 10 0 ADAEMO CO[C@H](c1noc([C@@H](C)[NH3+])n1)C(C)C 131198111 573821142 /nfs/dbraw/zinc/82/11/42/573821142.db2.gz GKCVJOXQNAGNIW-RQJHMYQMSA-N 1 1 199.254 1.433 10 0 ADAEMO Cc1oc(C[NH3+])nc1C1CCC1 258435366 573821157 /nfs/dbraw/zinc/82/11/57/573821157.db2.gz DKZIDUXBUSXWRP-UHFFFAOYSA-N 1 1 166.224 1.709 10 0 ADAEMO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc[nH]n1 84300567 573821209 /nfs/dbraw/zinc/82/12/09/573821209.db2.gz GEERQMBCTIXEEN-YUMQZZPRSA-N 1 1 180.255 1.037 10 0 ADAEMO CCC[N@H+](CC1CC1)[C@@H]1CCCNC1 43501337 573822383 /nfs/dbraw/zinc/82/23/83/573822383.db2.gz DFOQJICNMWJFLW-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CCC[N@@H+](CC1CC1)[C@@H]1CCCNC1 43501337 573822388 /nfs/dbraw/zinc/82/23/88/573822388.db2.gz DFOQJICNMWJFLW-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1c(C)cccc1CO 238139730 573822527 /nfs/dbraw/zinc/82/25/27/573822527.db2.gz BTAHWBJKMHSGIL-LLVKDONJSA-N 1 1 193.246 1.076 10 0 ADAEMO CN1CC[C@H](C[NH2+]CC(C)(C)C)C1 41051408 573822600 /nfs/dbraw/zinc/82/26/00/573822600.db2.gz MRRCJITVWMTYBX-SNVBAGLBSA-N 1 1 184.327 1.574 10 0 ADAEMO CCCC[C@@H](CN)[N@H+]1CCC[C@@H]1C 41053192 573822636 /nfs/dbraw/zinc/82/26/36/573822636.db2.gz WVYFUFDMMMMBQC-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO COC(=O)C(C)(C)[NH2+]CC(C)(C)C 41051323 573822651 /nfs/dbraw/zinc/82/26/51/573822651.db2.gz MIWWPALBXFRUDH-UHFFFAOYSA-N 1 1 187.283 1.574 10 0 ADAEMO CCCC[N@H+]1C[C@@H](CO)CC1(C)C 259204684 573822703 /nfs/dbraw/zinc/82/27/03/573822703.db2.gz CGRNKFZENNHSHG-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO C[N@H+](C1CC1)[C@@H](CN)C(C)(C)C 41051549 573822746 /nfs/dbraw/zinc/82/27/46/573822746.db2.gz LXLWXFHFVABXEM-VIFPVBQESA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C1CC1)[C@@H](C[NH3+])C(C)(C)C 41051549 573822752 /nfs/dbraw/zinc/82/27/52/573822752.db2.gz LXLWXFHFVABXEM-VIFPVBQESA-N 1 1 170.300 1.454 10 0 ADAEMO Cc1cc(C[NH3+])c2[nH]cnc2c1 238524383 573822796 /nfs/dbraw/zinc/82/27/96/573822796.db2.gz CFBDCTGFGLFJTA-UHFFFAOYSA-N 1 1 161.208 1.330 10 0 ADAEMO CCCC[C@H](C[NH3+])N1CCCCC1 41053078 573822974 /nfs/dbraw/zinc/82/29/74/573822974.db2.gz PIHVSTAOBUWCKF-LLVKDONJSA-N 1 1 184.327 1.990 10 0 ADAEMO CCCC[C@@H](CN)[N@@H+](C)CC1CC1 41053196 573823046 /nfs/dbraw/zinc/82/30/46/573823046.db2.gz ODOPEVYPMTUUCT-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCCC[C@@H](C[NH3+])N(C)CC1CC1 41053196 573823051 /nfs/dbraw/zinc/82/30/51/573823051.db2.gz ODOPEVYPMTUUCT-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO Cc1[nH]ncc1C[NH2+][C@H]1C[C@@H]1C1CC1 308751063 573823207 /nfs/dbraw/zinc/82/32/07/573823207.db2.gz UNFVSQGGDYCIAY-MNOVXSKESA-N 1 1 191.278 1.606 10 0 ADAEMO CC[C@@]1(C)COCC[N@@H+]1[C@H](C)C(C)=O 687948216 573825060 /nfs/dbraw/zinc/82/50/60/573825060.db2.gz ZNBHTOAUGHBKQU-KOLCDFICSA-N 1 1 199.294 1.465 10 0 ADAEMO CC[C@@]1(C)COCC[N@H+]1[C@H](C)C(C)=O 687948216 573825067 /nfs/dbraw/zinc/82/50/67/573825067.db2.gz ZNBHTOAUGHBKQU-KOLCDFICSA-N 1 1 199.294 1.465 10 0 ADAEMO CC(C)(C)[C@@H]([NH3+])C(=O)c1cncnc1 122777951 573825074 /nfs/dbraw/zinc/82/50/74/573825074.db2.gz ICFSEUSWNJHXQU-VIFPVBQESA-N 1 1 193.250 1.033 10 0 ADAEMO CC(C)c1nc(CCCCC[NH3+])n[nH]1 41058544 573824379 /nfs/dbraw/zinc/82/43/79/573824379.db2.gz WLVFWBUXJYBZTF-UHFFFAOYSA-N 1 1 196.298 1.600 10 0 ADAEMO CC(C)c1nnc(CCCCC[NH3+])[nH]1 41058544 573824386 /nfs/dbraw/zinc/82/43/86/573824386.db2.gz WLVFWBUXJYBZTF-UHFFFAOYSA-N 1 1 196.298 1.600 10 0 ADAEMO CCCC[N@H+]1C[C@H](CO)CC1(C)C 259204686 573824395 /nfs/dbraw/zinc/82/43/95/573824395.db2.gz CGRNKFZENNHSHG-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[N@H+](CC1CC1)[C@H]1CCCNC1 43501338 573824446 /nfs/dbraw/zinc/82/44/46/573824446.db2.gz DFOQJICNMWJFLW-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO CCC[N@@H+](CC1CC1)[C@H]1CCCNC1 43501338 573824452 /nfs/dbraw/zinc/82/44/52/573824452.db2.gz DFOQJICNMWJFLW-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)C[N@H+](C1CC1)[C@H]1CCCNC1 43501356 573824476 /nfs/dbraw/zinc/82/44/76/573824476.db2.gz ADOPSIIRPDSUDY-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCCC[N@@H+](CCC)CCN 41056659 573824482 /nfs/dbraw/zinc/82/44/82/573824482.db2.gz RGDPRPIORVSEAC-UHFFFAOYSA-N 1 1 172.316 1.847 10 0 ADAEMO CC(C)C[N@@H+](C1CC1)[C@H]1CCCNC1 43501356 573824483 /nfs/dbraw/zinc/82/44/83/573824483.db2.gz ADOPSIIRPDSUDY-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCCCN(CCC)CC[NH3+] 41056659 573824488 /nfs/dbraw/zinc/82/44/88/573824488.db2.gz RGDPRPIORVSEAC-UHFFFAOYSA-N 1 1 172.316 1.847 10 0 ADAEMO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@@H]1C1CC1 308751062 573824542 /nfs/dbraw/zinc/82/45/42/573824542.db2.gz UNFVSQGGDYCIAY-GHMZBOCLSA-N 1 1 191.278 1.606 10 0 ADAEMO CCC[N@@H+](CCN)CCC(C)C 41056635 573824597 /nfs/dbraw/zinc/82/45/97/573824597.db2.gz IXQVOZOXYOFEFM-UHFFFAOYSA-N 1 1 172.316 1.703 10 0 ADAEMO CCCN(CC[NH3+])CCC(C)C 41056635 573824601 /nfs/dbraw/zinc/82/46/01/573824601.db2.gz IXQVOZOXYOFEFM-UHFFFAOYSA-N 1 1 172.316 1.703 10 0 ADAEMO CCC(CC)[N@@H+](C)[C@H](C)[C@@H](C)N 41053845 573824623 /nfs/dbraw/zinc/82/46/23/573824623.db2.gz CNIWDQZVEZEDJI-RKDXNWHRSA-N 1 1 172.316 1.843 10 0 ADAEMO CCC[C@@H](C)[N@@H+](CCN)C1CC1 233275653 573824766 /nfs/dbraw/zinc/82/47/66/573824766.db2.gz BUHICXUUQRKADX-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@@H](C)N(CC[NH3+])C1CC1 233275653 573824771 /nfs/dbraw/zinc/82/47/71/573824771.db2.gz BUHICXUUQRKADX-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)[C@@](C)(CN)[N@@H+](C)CC1CC1 41053686 573824790 /nfs/dbraw/zinc/82/47/90/573824790.db2.gz XJDCCMOBWPUCPX-LLVKDONJSA-N 1 1 184.327 1.702 10 0 ADAEMO [NH2+]=Cc1c[nH]c2ncnc(Cl)c12 238526255 573824986 /nfs/dbraw/zinc/82/49/86/573824986.db2.gz MAWJHDXNVKGLQS-UHFFFAOYSA-N 1 1 180.598 1.609 10 0 ADAEMO CC1(C)C[C@@H]1Nc1ccc[nH+]c1N 122780641 573824988 /nfs/dbraw/zinc/82/49/88/573824988.db2.gz VDVOJAGJUYEFDO-QMMMGPOBSA-N 1 1 177.251 1.874 10 0 ADAEMO CCCCCC[N@H+](CCN)C1CC1 41057031 573824990 /nfs/dbraw/zinc/82/49/90/573824990.db2.gz IXKMCMFWLRXMRR-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CCCCCC[N@@H+](CCN)C1CC1 41057031 573824994 /nfs/dbraw/zinc/82/49/94/573824994.db2.gz IXKMCMFWLRXMRR-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CCC[N@@H+](CC)[C@H](C)[C@@H](C)N 41053797 573825042 /nfs/dbraw/zinc/82/50/42/573825042.db2.gz WXQHJFPNVZASTO-RKDXNWHRSA-N 1 1 158.289 1.454 10 0 ADAEMO CCCN(CC)[C@H](C)[C@@H](C)[NH3+] 41053797 573825047 /nfs/dbraw/zinc/82/50/47/573825047.db2.gz WXQHJFPNVZASTO-RKDXNWHRSA-N 1 1 158.289 1.454 10 0 ADAEMO COC[C@H]([NH3+])C(F)(F)C(F)(F)F 238355343 573826010 /nfs/dbraw/zinc/82/60/10/573826010.db2.gz FUTXIANYRUGWKY-VKHMYHEASA-N 1 1 193.115 1.158 10 0 ADAEMO CCC[N@@H+](CCN)C1CCCC1 41056663 573826024 /nfs/dbraw/zinc/82/60/24/573826024.db2.gz MHHUJPNIXAQDSQ-UHFFFAOYSA-N 1 1 170.300 1.600 10 0 ADAEMO C[N@H+]1CC[C@H](O)[C@@H]1c1cccc(N)c1 257884681 573825253 /nfs/dbraw/zinc/82/52/53/573825253.db2.gz WBHYMOUVNPXJMQ-QWRGUYRKSA-N 1 1 192.262 1.006 10 0 ADAEMO Cc1c(N)cc[nH+]c1C(F)F 238525555 573825374 /nfs/dbraw/zinc/82/53/74/573825374.db2.gz ZFLCWCACQNLGGP-UHFFFAOYSA-N 1 1 158.151 1.910 10 0 ADAEMO CCCC[N@@H+](C)[C@H](C)[C@@H](C)N 41053757 573825379 /nfs/dbraw/zinc/82/53/79/573825379.db2.gz OZECNHWZKFMGQE-RKDXNWHRSA-N 1 1 158.289 1.454 10 0 ADAEMO CCCCN(C)[C@H](C)[C@@H](C)[NH3+] 41053757 573825385 /nfs/dbraw/zinc/82/53/85/573825385.db2.gz OZECNHWZKFMGQE-RKDXNWHRSA-N 1 1 158.289 1.454 10 0 ADAEMO CC[C@]1(C)COCC[N@@H+]1[C@@H](C)C(C)=O 687948213 573825396 /nfs/dbraw/zinc/82/53/96/573825396.db2.gz ZNBHTOAUGHBKQU-GXSJLCMTSA-N 1 1 199.294 1.465 10 0 ADAEMO CC[C@]1(C)COCC[N@H+]1[C@@H](C)C(C)=O 687948213 573825401 /nfs/dbraw/zinc/82/54/01/573825401.db2.gz ZNBHTOAUGHBKQU-GXSJLCMTSA-N 1 1 199.294 1.465 10 0 ADAEMO C[NH2+]CCCc1nnc(C(C)C)[nH]1 41058562 573825469 /nfs/dbraw/zinc/82/54/69/573825469.db2.gz ABWMNXQKJDCXFL-UHFFFAOYSA-N 1 1 182.271 1.080 10 0 ADAEMO Cc1sccc1[C@@H](CN)[NH2+]C1CC1 393593024 573825471 /nfs/dbraw/zinc/82/54/71/573825471.db2.gz ZIUMIJFJHUAOPX-SNVBAGLBSA-N 1 1 196.319 1.808 10 0 ADAEMO C[NH2+]CCCc1n[nH]c(C(C)C)n1 41058562 573825475 /nfs/dbraw/zinc/82/54/75/573825475.db2.gz ABWMNXQKJDCXFL-UHFFFAOYSA-N 1 1 182.271 1.080 10 0 ADAEMO CC[C@]1(C)COCC[N@@H+]1[C@H](C)C(C)=O 687948218 573825498 /nfs/dbraw/zinc/82/54/98/573825498.db2.gz ZNBHTOAUGHBKQU-MWLCHTKSSA-N 1 1 199.294 1.465 10 0 ADAEMO CC[C@]1(C)COCC[N@H+]1[C@H](C)C(C)=O 687948218 573825503 /nfs/dbraw/zinc/82/55/03/573825503.db2.gz ZNBHTOAUGHBKQU-MWLCHTKSSA-N 1 1 199.294 1.465 10 0 ADAEMO CC[C@@]1(C)COCC[N@@H+]1[C@@H](C)C(C)=O 687948219 573825585 /nfs/dbraw/zinc/82/55/85/573825585.db2.gz ZNBHTOAUGHBKQU-ONGXEEELSA-N 1 1 199.294 1.465 10 0 ADAEMO CC[C@@]1(C)COCC[N@H+]1[C@@H](C)C(C)=O 687948219 573825591 /nfs/dbraw/zinc/82/55/91/573825591.db2.gz ZNBHTOAUGHBKQU-ONGXEEELSA-N 1 1 199.294 1.465 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)[C@@H](C)N 41053811 573825613 /nfs/dbraw/zinc/82/56/13/573825613.db2.gz XOVUWADPUAJPPA-AEJSXWLSSA-N 1 1 172.316 1.843 10 0 ADAEMO CCCOC(=O)CC[N@@H+](C)C1CC1 308445399 573825658 /nfs/dbraw/zinc/82/56/58/573825658.db2.gz BBMLIUQSWFHMJV-UHFFFAOYSA-N 1 1 185.267 1.424 10 0 ADAEMO CCC(CC)[N@@H+](C)[C@H](C)C(N)=S 43514088 573825686 /nfs/dbraw/zinc/82/56/86/573825686.db2.gz KJPVJDSCZCANEQ-SSDOTTSWSA-N 1 1 188.340 1.781 10 0 ADAEMO CCCC[N@@H+](CCC)CCN 41056633 573825743 /nfs/dbraw/zinc/82/57/43/573825743.db2.gz NVIZZGCPFAJZHH-UHFFFAOYSA-N 1 1 158.289 1.457 10 0 ADAEMO CCCCN(CCC)CC[NH3+] 41056633 573825747 /nfs/dbraw/zinc/82/57/47/573825747.db2.gz NVIZZGCPFAJZHH-UHFFFAOYSA-N 1 1 158.289 1.457 10 0 ADAEMO CCCCC[N@H+]1C[C@H](O)C2(CC2)C1 308445665 573825787 /nfs/dbraw/zinc/82/57/87/573825787.db2.gz BCKFFOZIDSFZPE-JTQLQIEISA-N 1 1 183.295 1.633 10 0 ADAEMO CC(C)[NH2+]CCc1nc(C2CC2)n[nH]1 41058699 573825888 /nfs/dbraw/zinc/82/58/88/573825888.db2.gz KNLPKEBDGKJGQY-UHFFFAOYSA-N 1 1 194.282 1.223 10 0 ADAEMO CC(C)[NH2+]CCc1n[nH]c(C2CC2)n1 41058699 573825893 /nfs/dbraw/zinc/82/58/93/573825893.db2.gz KNLPKEBDGKJGQY-UHFFFAOYSA-N 1 1 194.282 1.223 10 0 ADAEMO CCOC(=O)CC[C@@H]1CCC[N@H+]1C 43503630 573825898 /nfs/dbraw/zinc/82/58/98/573825898.db2.gz QLJIMMXOURSLBK-VIFPVBQESA-N 1 1 185.267 1.424 10 0 ADAEMO CCCC[N@@H+](CC)[C@H](C)C(N)=S 43513861 573825914 /nfs/dbraw/zinc/82/59/14/573825914.db2.gz CFURXLGLLLRURG-MRVPVSSYSA-N 1 1 188.340 1.783 10 0 ADAEMO CC[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H](C)N 41053815 573827578 /nfs/dbraw/zinc/82/75/78/573827578.db2.gz PTYVSMQGCASHLB-AEJSXWLSSA-N 1 1 172.316 1.700 10 0 ADAEMO CC[C@H](C)CN(C)[C@@H](C)[C@@H](C)[NH3+] 41053815 573827583 /nfs/dbraw/zinc/82/75/83/573827583.db2.gz PTYVSMQGCASHLB-AEJSXWLSSA-N 1 1 172.316 1.700 10 0 ADAEMO Cc1[nH+]c(CN)cc(N)c1C(F)F 238525345 573827009 /nfs/dbraw/zinc/82/70/09/573827009.db2.gz QIHXMKLJIGRMLS-UHFFFAOYSA-N 1 1 187.193 1.369 10 0 ADAEMO CC[C@H]1CCC[N@H+]([C@@H](C)[C@@H](C)N)C1 41053849 573827075 /nfs/dbraw/zinc/82/70/75/573827075.db2.gz VHYBNWAXIJEGTN-VWYCJHECSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H]1CCCN([C@@H](C)[C@@H](C)[NH3+])C1 41053849 573827077 /nfs/dbraw/zinc/82/70/77/573827077.db2.gz VHYBNWAXIJEGTN-VWYCJHECSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=S 43514085 573827085 /nfs/dbraw/zinc/82/70/85/573827085.db2.gz UONATZGVHCGSOP-SFYZADRCSA-N 1 1 188.340 1.637 10 0 ADAEMO Cc1nc(C[NH3+])oc1Br 238525798 573827095 /nfs/dbraw/zinc/82/70/95/573827095.db2.gz YNYFUONKYVVZJL-UHFFFAOYSA-N 1 1 191.028 1.204 10 0 ADAEMO CCCC[N@H+]1CCC[C@@H]1CC(N)=O 308445182 573827128 /nfs/dbraw/zinc/82/71/28/573827128.db2.gz AWNZHCXKHXVUHH-SECBINFHSA-N 1 1 184.283 1.126 10 0 ADAEMO Cc1[nH]ncc1C[NH2+][C@H]1C[C@H]1C1CC1 308751064 573827145 /nfs/dbraw/zinc/82/71/45/573827145.db2.gz UNFVSQGGDYCIAY-QWRGUYRKSA-N 1 1 191.278 1.606 10 0 ADAEMO CC(C)[N@@H+](CCN)C1CCCCC1 41056190 573827233 /nfs/dbraw/zinc/82/72/33/573827233.db2.gz QEYFMJWUYXTLMZ-UHFFFAOYSA-N 1 1 184.327 1.988 10 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/nfs/dbraw/zinc/82/95/32/573829532.db2.gz CFURXLGLLLRURG-QMMMGPOBSA-N 1 1 188.340 1.783 10 0 ADAEMO CC[N@@H+]1CCC[C@H]1c1nc(CO)co1 257886137 573829540 /nfs/dbraw/zinc/82/95/40/573829540.db2.gz ASDPECKLDIFMOL-VIFPVBQESA-N 1 1 196.250 1.324 10 0 ADAEMO C[NH2+][C@H](C)n1ccc2cnccc21 258144621 573829542 /nfs/dbraw/zinc/82/95/42/573829542.db2.gz OYFRNZIFZBWKFE-QMMMGPOBSA-N 1 1 175.235 1.774 10 0 ADAEMO CC[N@H+]1CCC[C@H]1c1nc(CO)co1 257886137 573829544 /nfs/dbraw/zinc/82/95/44/573829544.db2.gz ASDPECKLDIFMOL-VIFPVBQESA-N 1 1 196.250 1.324 10 0 ADAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)C(N)=S 43514019 573829581 /nfs/dbraw/zinc/82/95/81/573829581.db2.gz HROFDZTYBHXVLV-SFYZADRCSA-N 1 1 188.340 1.781 10 0 ADAEMO C[N@@H+](C[C@H](N)CC1CC1)C1CCCC1 308446493 573829628 /nfs/dbraw/zinc/82/96/28/573829628.db2.gz AUMQBDRSWYGJQH-LLVKDONJSA-N 1 1 196.338 1.988 10 0 ADAEMO CN(C[C@H]([NH3+])CC1CC1)C1CCCC1 308446493 573829633 /nfs/dbraw/zinc/82/96/33/573829633.db2.gz AUMQBDRSWYGJQH-LLVKDONJSA-N 1 1 196.338 1.988 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/nfs/dbraw/zinc/82/99/17/573829917.db2.gz BGVGMGAAKVEDSV-SECBINFHSA-N 1 1 185.267 1.424 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](C)C(N)=S 43514086 573829952 /nfs/dbraw/zinc/82/99/52/573829952.db2.gz UONATZGVHCGSOP-YUMQZZPRSA-N 1 1 188.340 1.637 10 0 ADAEMO Cc1oc(N)nc1[C@@H]1CCCC[N@H+]1C 258150978 573830004 /nfs/dbraw/zinc/83/00/04/573830004.db2.gz RZQAGNGRPHSDLV-QMMMGPOBSA-N 1 1 195.266 1.722 10 0 ADAEMO Cc1oc(N)nc1[C@@H]1CCCC[N@@H+]1C 258150978 573830009 /nfs/dbraw/zinc/83/00/09/573830009.db2.gz RZQAGNGRPHSDLV-QMMMGPOBSA-N 1 1 195.266 1.722 10 0 ADAEMO CCC[N@@H+](CC)[C@@H](C)C(N)=S 43514003 573830050 /nfs/dbraw/zinc/83/00/50/573830050.db2.gz SBWAPACSWHYLFY-ZETCQYMHSA-N 1 1 174.313 1.393 10 0 ADAEMO CC[C@H](CO)C[N@@H+](C)C(C)(C)C 258961815 573830067 /nfs/dbraw/zinc/83/00/67/573830067.db2.gz KKBODOSNBHRZEA-VIFPVBQESA-N 1 1 173.300 1.735 10 0 ADAEMO Cc1cc(F)c(C(=O)C[NH3+])cc1F 87220089 573830092 /nfs/dbraw/zinc/83/00/92/573830092.db2.gz AUXUACZISBJWLC-UHFFFAOYSA-N 1 1 185.173 1.415 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)C(N)=S 43514020 573830133 /nfs/dbraw/zinc/83/01/33/573830133.db2.gz HROFDZTYBHXVLV-YUMQZZPRSA-N 1 1 188.340 1.781 10 0 ADAEMO N[C@@H]1CCC[NH2+][C@@H]1C1CCCC1 84331543 573834504 /nfs/dbraw/zinc/83/45/04/573834504.db2.gz HSKNXSLTKMBSED-NXEZZACHSA-N 1 1 168.284 1.256 10 0 ADAEMO Cc1nnc([C@H]2CCCCC[C@H]2[NH3+])[nH]1 87221466 573834552 /nfs/dbraw/zinc/83/45/52/573834552.db2.gz RTJAZHHSIAOIMN-DTWKUNHWSA-N 1 1 194.282 1.488 10 0 ADAEMO Cc1nc([C@H]2CCCCC[C@H]2[NH3+])n[nH]1 87221466 573834554 /nfs/dbraw/zinc/83/45/54/573834554.db2.gz RTJAZHHSIAOIMN-DTWKUNHWSA-N 1 1 194.282 1.488 10 0 ADAEMO CCCC[N@H+](C1CC1)[C@@H](C)C1C[NH2+]C1 686255689 573834708 /nfs/dbraw/zinc/83/47/08/573834708.db2.gz QYIHZPLOTAGPSG-JTQLQIEISA-N 1 1 196.338 1.859 10 0 ADAEMO CC1CC([N@H+]2CC[NH2+][C@@H](C)CC2)C1 122860113 573834721 /nfs/dbraw/zinc/83/47/21/573834721.db2.gz ZFFMQBQDGYLAPJ-YVNMAJEFSA-N 1 1 182.311 1.469 10 0 ADAEMO CC1CC([N@@H+]2CCN[C@@H](C)CC2)C1 122860113 573834722 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171.284 1.632 10 0 ADAEMO CCC[C@@]1(O)CCCC[N@@H+](C)C1 84332075 573834880 /nfs/dbraw/zinc/83/48/80/573834880.db2.gz YJTGRDQYJLOSGL-SNVBAGLBSA-N 1 1 171.284 1.633 10 0 ADAEMO CCC[N@@H+](CC1CC1)[C@H](C)C1C[NH2+]C1 686255696 573834901 /nfs/dbraw/zinc/83/49/01/573834901.db2.gz QYQZJFNIDRSPMC-SNVBAGLBSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@H]1C[N@@H+](C[C@@H]2CC2(C)C)CCC1=O 235659607 573834983 /nfs/dbraw/zinc/83/49/83/573834983.db2.gz MNPJFNLJJWZTCX-UWVGGRQHSA-N 1 1 195.306 1.943 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@H]1[C@@H]1NCCCO1 258153181 573835127 /nfs/dbraw/zinc/83/51/27/573835127.db2.gz PQXWVOKNKGZMIS-WDEREUQCSA-N 1 1 198.310 1.195 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1[C@@H]1NCCCO1 258153181 573835131 /nfs/dbraw/zinc/83/51/31/573835131.db2.gz PQXWVOKNKGZMIS-WDEREUQCSA-N 1 1 198.310 1.195 10 0 ADAEMO C[N@H+]1CCC[C@](C)(CO)C12CC2 258516817 573838452 /nfs/dbraw/zinc/83/84/52/573838452.db2.gz LUZODQADRZOOJQ-SECBINFHSA-N 1 1 169.268 1.243 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@]2(C)CCCO2)o1 87231301 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/nfs/dbraw/zinc/86/08/71/573860871.db2.gz NIFYERMUCYPGMG-GFCCVEGCSA-N 1 1 196.338 1.908 10 0 ADAEMO CC[C@@H](O)C[N@@H+](CCOC)C(C)C 131373592 573860883 /nfs/dbraw/zinc/86/08/83/573860883.db2.gz OSAJAOCJDHTESO-SNVBAGLBSA-N 1 1 189.299 1.114 10 0 ADAEMO Cc1[nH+]c(N)c(O)cc1C(F)F 238548037 573860893 /nfs/dbraw/zinc/86/08/93/573860893.db2.gz JYBXMXJEKOCCEH-UHFFFAOYSA-N 1 1 174.150 1.615 10 0 ADAEMO C[N@@H+]1CC[C@](N)(c2cccs2)C1 84337138 573860915 /nfs/dbraw/zinc/86/09/15/573860915.db2.gz VPSKXQDHAAXHDY-SECBINFHSA-N 1 1 182.292 1.238 10 0 ADAEMO C[N@H+]1CC[C@](N)(c2cccs2)C1 84337138 573860919 /nfs/dbraw/zinc/86/09/19/573860919.db2.gz VPSKXQDHAAXHDY-SECBINFHSA-N 1 1 182.292 1.238 10 0 ADAEMO COCC[N@@H+](CCCCO)C(C)C 131372875 573860992 /nfs/dbraw/zinc/86/09/92/573860992.db2.gz APYVHSZZMBCJQY-UHFFFAOYSA-N 1 1 189.299 1.116 10 0 ADAEMO CC1=CC(=O)C([C@@H]([NH3+])C(C)C)C(=O)N1 238168651 573861009 /nfs/dbraw/zinc/86/10/09/573861009.db2.gz AATKGROAUPIPHQ-VIFPVBQESA-N 1 1 196.250 1.457 10 0 ADAEMO 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VJLRMJOJSAZNCA-NSCUHMNNSA-N 1 1 188.274 1.604 10 0 ADAEMO C[N@@H+]1CCC[C@@H]1[C@H](N)C1CCCC1 84343760 573864898 /nfs/dbraw/zinc/86/48/98/573864898.db2.gz FFZREMAYOZHTEC-GHMZBOCLSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@H](N)C1CCCC1 84343760 573864902 /nfs/dbraw/zinc/86/49/02/573864902.db2.gz FFZREMAYOZHTEC-GHMZBOCLSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@H]([NH2+]C)[C@@H](C)N1CCCC1 43807020 573864577 /nfs/dbraw/zinc/86/45/77/573864577.db2.gz RHKFCCIPFIZBJX-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CC1(C)[NH2+]CCCC1(F)F 259214171 573864912 /nfs/dbraw/zinc/86/49/12/573864912.db2.gz JPAMGHUYVGWSSD-UHFFFAOYSA-N 1 1 149.184 1.784 10 0 ADAEMO C[N@H+]1CC[C@H]([C@H](N)c2cncs2)C1 84361515 573864635 /nfs/dbraw/zinc/86/46/35/573864635.db2.gz SIMOLLHQRIOALS-CBAPKCEASA-N 1 1 197.307 1.095 10 0 ADAEMO CN1CC[C@H]([C@H]([NH3+])c2cncs2)C1 84361515 573864641 /nfs/dbraw/zinc/86/46/41/573864641.db2.gz SIMOLLHQRIOALS-CBAPKCEASA-N 1 1 197.307 1.095 10 0 ADAEMO C[C@H]1C[NH2+]c2ccc(N)cc2N(C)C1 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168.284 1.428 10 0 ADAEMO CCCCC[N@H+]1CC[C@](C)(CO)C1 308458476 573864849 /nfs/dbraw/zinc/86/48/49/573864849.db2.gz GRCLGEMNLCKYFC-NSHDSACASA-N 1 1 185.311 1.881 10 0 ADAEMO Cc1ccsc1[C@@]1(C)CNCC[NH2+]1 258978785 573871213 /nfs/dbraw/zinc/87/12/13/573871213.db2.gz DTSGNECENKDCND-SNVBAGLBSA-N 1 1 196.319 1.465 10 0 ADAEMO CC(C)CC[N@@H+](CCN)C(C)C 41160534 573871333 /nfs/dbraw/zinc/87/13/33/573871333.db2.gz PCJVPIRXRBKUJI-UHFFFAOYSA-N 1 1 172.316 1.702 10 0 ADAEMO CC(C)CCN(CC[NH3+])C(C)C 41160534 573871344 /nfs/dbraw/zinc/87/13/44/573871344.db2.gz PCJVPIRXRBKUJI-UHFFFAOYSA-N 1 1 172.316 1.702 10 0 ADAEMO CNOC[C@H]1CCCC[N@H+]1C(C)C 257889762 573871425 /nfs/dbraw/zinc/87/14/25/573871425.db2.gz GKWVBLVYMZLYNM-SNVBAGLBSA-N 1 1 186.299 1.400 10 0 ADAEMO C[C@H]([NH2+]C1COC1)c1ccoc1 87290527 573871494 /nfs/dbraw/zinc/87/14/94/573871494.db2.gz SEHXUFRQRKNQJX-ZETCQYMHSA-N 1 1 167.208 1.329 10 0 ADAEMO CC[C@@H](C)C[N@@H+](C)CC[C@@H](C)[NH2+]C 43889603 573871584 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NKMYSNHJPGLWOO-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CCNc1nc(NC(C)C)cc[nH+]1 84446417 573895400 /nfs/dbraw/zinc/89/54/00/573895400.db2.gz NRNMNEGMUYGVSS-UHFFFAOYSA-N 1 1 180.255 1.729 10 0 ADAEMO C[C@H]1CCC[N@H+]1[C@@](C)(CN)C1(C)CC1 87363731 573895452 /nfs/dbraw/zinc/89/54/52/573895452.db2.gz ZRBBXJJDYVFMTM-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H](C)Nc1cc[nH+]c(NC)n1 84446424 573895479 /nfs/dbraw/zinc/89/54/79/573895479.db2.gz QKOSUMDRAOYCRO-SSDOTTSWSA-N 1 1 180.255 1.729 10 0 ADAEMO CCC[NH2+]Cc1nc(C(C)C)no1 44301443 573895490 /nfs/dbraw/zinc/89/54/90/573895490.db2.gz VNPACHDQVYJGIJ-UHFFFAOYSA-N 1 1 183.255 1.693 10 0 ADAEMO O=C1C[NH2+]CC[C@H]1Cc1ccco1 76603185 573895556 /nfs/dbraw/zinc/89/55/56/573895556.db2.gz DMJSUMKPGWHBPD-QMMMGPOBSA-N 1 1 179.219 1.001 10 0 ADAEMO CCC[NH2+][C@@H]1CCCN(C)CC1 76598296 573895643 /nfs/dbraw/zinc/89/56/43/573895643.db2.gz VXGFFRAXTRWGQW-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@](C)(CN)C2(C)CC2)C1 87363742 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181.239 1.203 10 0 ADAEMO CN(CC[C@@H]1CCC[NH2+]1)C1CC1 42171978 573918667 /nfs/dbraw/zinc/91/86/67/573918667.db2.gz CHVNPZLXYWZBCJ-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CCc1noc([C@H](CC)[NH2+]C)n1 44625860 573918802 /nfs/dbraw/zinc/91/88/02/573918802.db2.gz DAQZWVUPIQOAEG-LURJTMIESA-N 1 1 169.228 1.303 10 0 ADAEMO CCC[C@@H](CC)[N@@H+](C)CCN 233283753 573918887 /nfs/dbraw/zinc/91/88/87/573918887.db2.gz VHKMOSIYVVAPPD-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCC[C@@H](CC)N(C)CC[NH3+] 233283753 573918892 /nfs/dbraw/zinc/91/88/92/573918892.db2.gz VHKMOSIYVVAPPD-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CC[C@@](C)(CO)Nc1cc(C)cc[nH+]1 80882908 573918986 /nfs/dbraw/zinc/91/89/86/573918986.db2.gz LNEGRDZIBWDPLL-NSHDSACASA-N 1 1 194.278 1.963 10 0 ADAEMO CC[C@H]1C[N@@H+](CC2CC2)C(C)(C)CN1 84859602 573921094 /nfs/dbraw/zinc/92/10/94/573921094.db2.gz CVTLAOULHIBVJG-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H]1CN(CC2CC2)C(C)(C)C[NH2+]1 84859602 573921099 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HODSGVRXNNTYJS-UHFFFAOYSA-N 1 1 196.338 1.894 10 0 ADAEMO CC1(C)CC(=O)c2[nH+]c(N)[nH]c2C1 238203169 573945414 /nfs/dbraw/zinc/94/54/14/573945414.db2.gz SUOCPKACGWKQRB-UHFFFAOYSA-N 1 1 179.223 1.147 10 0 ADAEMO CCc1[nH+]ccn1C[C@H](C)C(N)=S 42419853 573945428 /nfs/dbraw/zinc/94/54/28/573945428.db2.gz DJCLGKXHOQQSTG-ZETCQYMHSA-N 1 1 197.307 1.368 10 0 ADAEMO CC[N@H+]1CCCC[NH2+][C@@H](C)C1 259246181 573945531 /nfs/dbraw/zinc/94/55/31/573945531.db2.gz FBVFISQCYZSLFU-VIFPVBQESA-N 1 1 156.273 1.080 10 0 ADAEMO CCc1[nH+]ccn1CCC(N)=S 42419846 573945539 /nfs/dbraw/zinc/94/55/39/573945539.db2.gz KWYBODAMFJPIBP-UHFFFAOYSA-N 1 1 183.280 1.122 10 0 ADAEMO CC[C@@H](C[N@@H+](C)C1CCC1)C(=O)OC 259024875 573945578 /nfs/dbraw/zinc/94/55/78/573945578.db2.gz PVYOVHFUCLUUQG-VIFPVBQESA-N 1 1 199.294 1.670 10 0 ADAEMO CCC[C@@H](C)n1nnc2c1CC[NH2+]C2 85004572 573945794 /nfs/dbraw/zinc/94/57/94/573945794.db2.gz PXBDYFZKLFYINL-MRVPVSSYSA-N 1 1 194.282 1.285 10 0 ADAEMO CNCC[N@@H+]1CCC[C@@H]1C1CCCC1 45073285 573945805 /nfs/dbraw/zinc/94/58/05/573945805.db2.gz AAAOZFGOMWWCHW-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CNCC[N@@H+]1CCC[C@H]1C1CCCC1 45073286 573945853 /nfs/dbraw/zinc/94/58/53/573945853.db2.gz AAAOZFGOMWWCHW-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO Cc1cc[nH+]c(N)c1[C@@H](O)C1(C)CC1 87549680 573945864 /nfs/dbraw/zinc/94/58/64/573945864.db2.gz ZXMLMTHZJPIKAX-SECBINFHSA-N 1 1 192.262 1.806 10 0 ADAEMO CCC[N@@H+](C)[C@](C)(CN)CCOC 45043199 573945907 /nfs/dbraw/zinc/94/59/07/573945907.db2.gz SLQVFCPVDMBKAI-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO CCCN(C)[C@](C)(C[NH3+])CCOC 45043199 573945908 /nfs/dbraw/zinc/94/59/08/573945908.db2.gz SLQVFCPVDMBKAI-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO CCc1[nH+]ccn1[C@H](C)CC(N)=S 42419859 573945918 /nfs/dbraw/zinc/94/59/18/573945918.db2.gz OTDCMEJPQSQSJY-SSDOTTSWSA-N 1 1 197.307 1.683 10 0 ADAEMO Cc1nc(C2CCC2)[nH+]c(NN)c1F 85006149 573947519 /nfs/dbraw/zinc/94/75/19/573947519.db2.gz JUMJYHYEBKBESQ-UHFFFAOYSA-N 1 1 196.229 1.477 10 0 ADAEMO CCOC(=[NH2+])C1(C)CC1 87553421 573947524 /nfs/dbraw/zinc/94/75/24/573947524.db2.gz VVCRHHYGOLBLIM-UHFFFAOYSA-N 1 1 127.187 1.800 10 0 ADAEMO CC(C)[C@H](C)n1nnc2c1CC[NH2+]C2 85004606 573946857 /nfs/dbraw/zinc/94/68/57/573946857.db2.gz LQZMKDAKZNUMMX-QMMMGPOBSA-N 1 1 194.282 1.141 10 0 ADAEMO CCN(CC)[C@](C)(C[NH3+])CCOC 45042971 573946859 /nfs/dbraw/zinc/94/68/59/573946859.db2.gz GQRMLSXBUCOAOH-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO C[N@@H+](CC(C)(C)C)[C@H](CN)C1CC1 45069950 573946869 /nfs/dbraw/zinc/94/68/69/573946869.db2.gz SMZNAYNDASIJAQ-SNVBAGLBSA-N 1 1 184.327 1.702 10 0 ADAEMO CN(CC(C)(C)C)[C@H](C[NH3+])C1CC1 45069950 573946873 /nfs/dbraw/zinc/94/68/73/573946873.db2.gz SMZNAYNDASIJAQ-SNVBAGLBSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)n1cc[nH+]c1N(C)C 257914813 573946897 /nfs/dbraw/zinc/94/68/97/573946897.db2.gz QIALUQFDMLWGBX-UHFFFAOYSA-N 1 1 153.229 1.530 10 0 ADAEMO Cc1nc(C2CC2)[nH+]c(NN)c1F 85006080 573946952 /nfs/dbraw/zinc/94/69/52/573946952.db2.gz PBEGDJCUDUCOTL-UHFFFAOYSA-N 1 1 182.202 1.087 10 0 ADAEMO CCC[N@@H+](C)[C@@](C)(CN)CCOC 45043201 573946997 /nfs/dbraw/zinc/94/69/97/573946997.db2.gz SLQVFCPVDMBKAI-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CCCN(C)[C@@](C)(C[NH3+])CCOC 45043201 573946999 /nfs/dbraw/zinc/94/69/99/573946999.db2.gz SLQVFCPVDMBKAI-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO C[C@H](N)[C@H](C)[N@@H+](C)CC(C)(C)C 45072312 573947104 /nfs/dbraw/zinc/94/71/04/573947104.db2.gz XQZJLJDXOGVHKQ-IUCAKERBSA-N 1 1 172.316 1.700 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)N(C)CC(C)(C)C 45072312 573947106 /nfs/dbraw/zinc/94/71/06/573947106.db2.gz XQZJLJDXOGVHKQ-IUCAKERBSA-N 1 1 172.316 1.700 10 0 ADAEMO Cc1nc([C@H]2C[C@@H]2C)[nH+]c(NN)c1F 85006038 573947166 /nfs/dbraw/zinc/94/71/66/573947166.db2.gz HAVVGNOPIWXKLM-NJGYIYPDSA-N 1 1 196.229 1.333 10 0 ADAEMO Cc1nc([C@@H]2C[C@H]2C)[nH+]c(NN)c1F 85006040 573947234 /nfs/dbraw/zinc/94/72/34/573947234.db2.gz HAVVGNOPIWXKLM-INEUFUBQSA-N 1 1 196.229 1.333 10 0 ADAEMO CCCc1n[nH]c([C@H]2CC[C@H]([NH3+])C2)n1 85008422 573946823 /nfs/dbraw/zinc/94/68/23/573946823.db2.gz BOOHSIDYVWAZQH-YUMQZZPRSA-N 1 1 194.282 1.352 10 0 ADAEMO CCCc1nnc([C@H]2CC[C@H]([NH3+])C2)[nH]1 85008422 573946827 /nfs/dbraw/zinc/94/68/27/573946827.db2.gz BOOHSIDYVWAZQH-YUMQZZPRSA-N 1 1 194.282 1.352 10 0 ADAEMO C[N@@H+]1CC=C(C(C)(C)O)CC1 258186994 573951697 /nfs/dbraw/zinc/95/16/97/573951697.db2.gz SYFFLWYVSIYDDX-UHFFFAOYSA-N 1 1 155.241 1.019 10 0 ADAEMO CCc1cc(N)nc(CC2CC2)[nH+]1 87583428 573951780 /nfs/dbraw/zinc/95/17/80/573951780.db2.gz DOIXCUXLGARSAE-UHFFFAOYSA-N 1 1 177.251 1.574 10 0 ADAEMO CCC[C@@H](C)n1cnc(C[NH2+]C)n1 233286690 573951008 /nfs/dbraw/zinc/95/10/08/573951008.db2.gz PGIWFRREDBYXSG-MRVPVSSYSA-N 1 1 182.271 1.359 10 0 ADAEMO C[N@H+]1CC[C@H](CC2CCC(O)CC2)C1 259025995 573951079 /nfs/dbraw/zinc/95/10/79/573951079.db2.gz AXCRXPZNZDSCSB-MOENNCHZSA-N 1 1 197.322 1.879 10 0 ADAEMO CC(C)[C@@H](N)C[N@H+](C)CC(C)(C)C 45089691 573951108 /nfs/dbraw/zinc/95/11/08/573951108.db2.gz OWMBSBGNRRZRPA-JTQLQIEISA-N 1 1 186.343 1.948 10 0 ADAEMO CC(C)[C@@H](N)C[N@@H+](C)CC(C)(C)C 45089691 573951113 /nfs/dbraw/zinc/95/11/13/573951113.db2.gz OWMBSBGNRRZRPA-JTQLQIEISA-N 1 1 186.343 1.948 10 0 ADAEMO C[N@@H+]1CC=C(CCC(C)(C)O)CC1 257910178 573951812 /nfs/dbraw/zinc/95/18/12/573951812.db2.gz BGLHWZRVZWXRNC-UHFFFAOYSA-N 1 1 183.295 1.799 10 0 ADAEMO COC(CCn1cc(C)[nH+]c1C)OC 715083453 573951134 /nfs/dbraw/zinc/95/11/34/573951134.db2.gz HOWZPVZJXUZHFK-UHFFFAOYSA-N 1 1 198.266 1.509 10 0 ADAEMO Cc1cc(C)c(C)c(C(=O)C[NH3+])c1 257909893 573951178 /nfs/dbraw/zinc/95/11/78/573951178.db2.gz ALXGAIMEIOQKJL-UHFFFAOYSA-N 1 1 177.247 1.753 10 0 ADAEMO CC(C)C(C)(C)NC1=[NH+]CCO1 238206839 573951213 /nfs/dbraw/zinc/95/12/13/573951213.db2.gz PCYZHAIMLIVCNC-UHFFFAOYSA-N 1 1 170.256 1.397 10 0 ADAEMO CC[N@@H+](C)CCOCC(F)F 393599613 573951283 /nfs/dbraw/zinc/95/12/83/573951283.db2.gz PHDKDWJAXZIRAX-UHFFFAOYSA-N 1 1 167.199 1.220 10 0 ADAEMO CCC[N@@H+](CC(N)=S)[C@@H](C)CC 45093521 573951324 /nfs/dbraw/zinc/95/13/24/573951324.db2.gz MYDZDPBMIKDHHK-QMMMGPOBSA-N 1 1 188.340 1.783 10 0 ADAEMO C[N@H+](CC(N)=S)CC1CCCC1 45062868 573951414 /nfs/dbraw/zinc/95/14/14/573951414.db2.gz XTXSBALAMMTMMY-UHFFFAOYSA-N 1 1 186.324 1.395 10 0 ADAEMO CC(C)Cc1[nH]ncc1[C@H](C)[NH3+] 257909806 573951476 /nfs/dbraw/zinc/95/14/76/573951476.db2.gz AHKIMYXVBFTVBD-ZETCQYMHSA-N 1 1 167.256 1.628 10 0 ADAEMO CCC1CCN([C@H](C[NH3+])C2CC2)CC1 42446314 573951654 /nfs/dbraw/zinc/95/16/54/573951654.db2.gz TYFKOKXWJSJPKW-GFCCVEGCSA-N 1 1 196.338 1.846 10 0 ADAEMO [NH3+]C[C@H](C1CCC1)N1CCCCC1 87584721 573953210 /nfs/dbraw/zinc/95/32/10/573953210.db2.gz DUSXIRWTXVWKFE-LLVKDONJSA-N 1 1 182.311 1.600 10 0 ADAEMO Cc1cc[nH+]c(N)c1[C@@H](O)CC1CC1 87581107 573953240 /nfs/dbraw/zinc/95/32/40/573953240.db2.gz FJYKODCDCZGCEH-VIFPVBQESA-N 1 1 192.262 1.806 10 0 ADAEMO C[NH2+]CCCN1CCCSCC1 42444528 573953306 /nfs/dbraw/zinc/95/33/06/573953306.db2.gz DBLVDKFFDVMKBR-UHFFFAOYSA-N 1 1 188.340 1.035 10 0 ADAEMO CC[C@@H](CC[NH3+])N(C)Cc1ccoc1 42447827 573953323 /nfs/dbraw/zinc/95/33/23/573953323.db2.gz RYUWAZDBLKEIHE-NSHDSACASA-N 1 1 196.294 1.839 10 0 ADAEMO CCN(Cc1ccco1)C[C@H](C)C[NH3+] 42445394 573953396 /nfs/dbraw/zinc/95/33/96/573953396.db2.gz ZVGWQMYLHRUGER-SNVBAGLBSA-N 1 1 196.294 1.696 10 0 ADAEMO CCC[N@H+](CC(N)=S)CC(C)C 45093507 573953415 /nfs/dbraw/zinc/95/34/15/573953415.db2.gz AHFLKZYJVVCWDM-UHFFFAOYSA-N 1 1 188.340 1.641 10 0 ADAEMO CC1(C)CC[N@H+]([C@H](CN)C2CCC2)C1 87585148 573953496 /nfs/dbraw/zinc/95/34/96/573953496.db2.gz IGRCLMBYQAIKKO-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1CCC[N@H+]1[C@@H](CN)C1CCC1 87584826 573953668 /nfs/dbraw/zinc/95/36/68/573953668.db2.gz XHYMBLYXIMUSOJ-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCCC[N@H+]1[C@@H](CN)C1CCC1 87584689 573953701 /nfs/dbraw/zinc/95/37/01/573953701.db2.gz FCEKYQJZCKMRJZ-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]([NH3+])C(F)(F)c1cccc(O)c1 257910273 573953747 /nfs/dbraw/zinc/95/37/47/573953747.db2.gz QFQBDNGCZUDDES-ZCFIWIBFSA-N 1 1 187.189 1.831 10 0 ADAEMO CCC1CCN([C@H](CC)C[NH3+])CC1 42446350 573953878 /nfs/dbraw/zinc/95/38/78/573953878.db2.gz NCYOQNDBHFKWBT-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO COC[N@@H+](C)CC(C)(C)C 259027144 573953913 /nfs/dbraw/zinc/95/39/13/573953913.db2.gz HRWQUUFOSFADOG-UHFFFAOYSA-N 1 1 145.246 1.568 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H](CN)C2CCC2)C1 87584834 573953954 /nfs/dbraw/zinc/95/39/54/573953954.db2.gz KQCVJPWJYWHSRD-ONGXEEELSA-N 1 1 182.311 1.456 10 0 ADAEMO Cc1cc(N)nc(CC2CC2)[nH+]1 87583420 573953992 /nfs/dbraw/zinc/95/39/92/573953992.db2.gz LHLRCDBFOLGFJE-UHFFFAOYSA-N 1 1 163.224 1.320 10 0 ADAEMO CCC1CCN(C[C@@H]([NH3+])CC)CC1 42447465 573954016 /nfs/dbraw/zinc/95/40/16/573954016.db2.gz RQIIJSPFYGTCDZ-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCC1CC[NH+](C[C@@H](N)CC)CC1 42447465 573954020 /nfs/dbraw/zinc/95/40/20/573954020.db2.gz RQIIJSPFYGTCDZ-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H](O)C[N@@H+](CC)Cc1ccco1 42445835 573955340 /nfs/dbraw/zinc/95/53/40/573955340.db2.gz KZVRHZJMWFLAIY-JTQLQIEISA-N 1 1 197.278 1.872 10 0 ADAEMO Cc1c[nH+]c(N)c([C@H](O)CC2CC2)c1 87581378 573954534 /nfs/dbraw/zinc/95/45/34/573954534.db2.gz SGHFAAPBHXCAPM-SNVBAGLBSA-N 1 1 192.262 1.806 10 0 ADAEMO CC1(C)C[C@@H]1[NH2+]C[C@@](C)(N)C1CC1 45137665 573954557 /nfs/dbraw/zinc/95/45/57/573954557.db2.gz IRPLGPGPKICNHJ-GXSJLCMTSA-N 1 1 182.311 1.502 10 0 ADAEMO CC[C@H](C)[C@@H](N)C[NH2+][C@@H]1CC1(C)C 45137689 573954628 /nfs/dbraw/zinc/95/46/28/573954628.db2.gz OSNOBINQEBQFSR-LPEHRKFASA-N 1 1 184.327 1.748 10 0 ADAEMO CC[N@@H+](C)[C@H](CN)C1CCC1 87584744 573954672 /nfs/dbraw/zinc/95/46/72/573954672.db2.gz LMJUCGDFLNNFSA-SECBINFHSA-N 1 1 156.273 1.066 10 0 ADAEMO CCN(C)[C@H](C[NH3+])C1CCC1 87584744 573954675 /nfs/dbraw/zinc/95/46/75/573954675.db2.gz LMJUCGDFLNNFSA-SECBINFHSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@H]1CCC[N@H+]([C@@H](CN)C2CCC2)C1 87584698 573954705 /nfs/dbraw/zinc/95/47/05/573954705.db2.gz DYEFMEGWOXEXKT-JQWIXIFHSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@@H](O)C[N@@H+](CC)Cc1ccco1 42445837 573954759 /nfs/dbraw/zinc/95/47/59/573954759.db2.gz KZVRHZJMWFLAIY-SNVBAGLBSA-N 1 1 197.278 1.872 10 0 ADAEMO CN(C)[C@@]1(C[NH3+])CCC[C@@H](C2CC2)C1 81640481 573954764 /nfs/dbraw/zinc/95/47/64/573954764.db2.gz XVVYPICNQDKMCT-NEPJUHHUSA-N 1 1 196.338 1.846 10 0 ADAEMO C[NH2+][C@@H](c1ccccc1C)C(C)(C)N 259249799 573954819 /nfs/dbraw/zinc/95/48/19/573954819.db2.gz GHVDEMRVVAWAAQ-NSHDSACASA-N 1 1 192.306 1.993 10 0 ADAEMO CCN(Cc1ccco1)C[C@@H](C)C[NH3+] 42445392 573954884 /nfs/dbraw/zinc/95/48/84/573954884.db2.gz ZVGWQMYLHRUGER-JTQLQIEISA-N 1 1 196.294 1.696 10 0 ADAEMO CC1(C)C[C@H]1[NH2+]C[C@](C)(N)C1CC1 45137663 573954971 /nfs/dbraw/zinc/95/49/71/573954971.db2.gz IRPLGPGPKICNHJ-KOLCDFICSA-N 1 1 182.311 1.502 10 0 ADAEMO CCc1nc(C[NH3+])oc1CC 258462104 573955272 /nfs/dbraw/zinc/95/52/72/573955272.db2.gz HHDHKJXMYLILGF-UHFFFAOYSA-N 1 1 154.213 1.258 10 0 ADAEMO C[C@H]1C[C@H]([NH3+])CCN1[C@@H]1CC1(C)C 45135327 573957207 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CC[C@@H](C)[C@H](N)C[NH2+][C@@H]1CC1(C)C 45137682 573957835 /nfs/dbraw/zinc/95/78/35/573957835.db2.gz OSNOBINQEBQFSR-OPRDCNLKSA-N 1 1 184.327 1.748 10 0 ADAEMO CC[N@@H+](CCOC)[C@H]1CCCCC1=O 42493886 573959536 /nfs/dbraw/zinc/95/95/36/573959536.db2.gz DPDGIBAIENXCJE-JTQLQIEISA-N 1 1 199.294 1.466 10 0 ADAEMO CC[C@H](C)[C@H](N)C[NH2+][C@@H]1CC1(C)C 45137684 573958626 /nfs/dbraw/zinc/95/86/26/573958626.db2.gz OSNOBINQEBQFSR-IVZWLZJFSA-N 1 1 184.327 1.748 10 0 ADAEMO c1ccn(N[C@H]2CC[N@H+]3CCC[C@H]23)c1 123199219 573958641 /nfs/dbraw/zinc/95/86/41/573958641.db2.gz ZGUZSJPBQOCZEG-WDEREUQCSA-N 1 1 191.278 1.268 10 0 ADAEMO CC1(C)C[C@H]1NCC[NH2+]C1CC1 45137948 573958645 /nfs/dbraw/zinc/95/86/45/573958645.db2.gz TVFYUFINIYHRHG-SECBINFHSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@H](O)C(C)(C)C[N@@H+](C)C1CCC1 127862973 573958669 /nfs/dbraw/zinc/95/86/69/573958669.db2.gz VZORRKPJAFEDPP-VIFPVBQESA-N 1 1 185.311 1.878 10 0 ADAEMO CC(C)[C@H](N)C[NH2+][C@@H]1CC1(C)C 45137890 573958719 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ADAEMO C[NH2+][C@H](C=C(C)C)c1cnn[nH]1 87600569 573972114 /nfs/dbraw/zinc/97/21/14/573972114.db2.gz MKQGYPIKTRYYFQ-SSDOTTSWSA-N 1 1 166.228 1.031 10 0 ADAEMO C[C@@H]1CCC[C@H]([C@H]([NH3+])c2cn[nH]n2)C1 87599896 573972145 /nfs/dbraw/zinc/97/21/45/573972145.db2.gz XFKGWYUYAHTVDS-WEDXCCLWSA-N 1 1 194.282 1.631 10 0 ADAEMO CSCc1cnc[nH]1 81914469 573972221 /nfs/dbraw/zinc/97/22/21/573972221.db2.gz MLLYSQGRMFTIIZ-UHFFFAOYSA-N 1 1 128.200 1.273 10 0 ADAEMO C[NH2+][C@H](c1cnn[nH]1)C(C)(C)C 87600652 573972278 /nfs/dbraw/zinc/97/22/78/573972278.db2.gz XVGUMIXCIHQNRS-SSDOTTSWSA-N 1 1 168.244 1.111 10 0 ADAEMO CC1(C)CO[C@](C)(c2ccccn2)[NH2+]1 238229631 573972325 /nfs/dbraw/zinc/97/23/25/573972325.db2.gz YVYASCMQTLCPLS-LLVKDONJSA-N 1 1 192.262 1.653 10 0 ADAEMO C[NH2+][C@H](c1cnn[nH]1)C1CCCC1 87600813 573972388 /nfs/dbraw/zinc/97/23/88/573972388.db2.gz ABVOEKQGWMIREH-VIFPVBQESA-N 1 1 180.255 1.255 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1c1coc(CO)n1 258192712 573972448 /nfs/dbraw/zinc/97/24/48/573972448.db2.gz WCRSJFOPCIYUSP-SECBINFHSA-N 1 1 196.250 1.324 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1coc(CO)n1 258192712 573972452 /nfs/dbraw/zinc/97/24/52/573972452.db2.gz WCRSJFOPCIYUSP-SECBINFHSA-N 1 1 196.250 1.324 10 0 ADAEMO Cc1cc(Cl)c(N)[nH+]c1N 104392654 573972700 /nfs/dbraw/zinc/97/27/00/573972700.db2.gz DBIFVELLWBGNSP-UHFFFAOYSA-N 1 1 157.604 1.208 10 0 ADAEMO [NH3+][C@H](Cc1ccccc1)c1cn[nH]n1 87599922 573972736 /nfs/dbraw/zinc/97/27/36/573972736.db2.gz KQNIHWYDDSWXSM-SECBINFHSA-N 1 1 188.234 1.047 10 0 ADAEMO [NH3+][C@H](Cc1ccccc1)c1cnn[nH]1 87599922 573972738 /nfs/dbraw/zinc/97/27/38/573972738.db2.gz KQNIHWYDDSWXSM-SECBINFHSA-N 1 1 188.234 1.047 10 0 ADAEMO [NH3+][C@H](CC1CCCCC1)c1cn[nH]n1 87600312 573972784 /nfs/dbraw/zinc/97/27/84/573972784.db2.gz ZBEOIUQLJFEFQW-SECBINFHSA-N 1 1 194.282 1.775 10 0 ADAEMO [NH3+][C@H](c1cn[nH]n1)C1CCCCC1 87600467 573972828 /nfs/dbraw/zinc/97/28/28/573972828.db2.gz PPNKEUVHZJZTAI-VIFPVBQESA-N 1 1 180.255 1.385 10 0 ADAEMO CC[N@H+]1CCC[C@@H](C(C)=O)[C@@H]1C 238229619 573972868 /nfs/dbraw/zinc/97/28/68/573972868.db2.gz HNMVSCVISAWFGV-WCBMZHEXSA-N 1 1 169.268 1.696 10 0 ADAEMO CCCCCC[C@H]([NH3+])c1cn[nH]n1 87599924 573974890 /nfs/dbraw/zinc/97/48/90/573974890.db2.gz NTJVCOCPMCOKOK-QMMMGPOBSA-N 1 1 182.271 1.775 10 0 ADAEMO CC[C@H]([NH3+])CC[N@@H+](CC)CC1CC1 127901505 573975056 /nfs/dbraw/zinc/97/50/56/573975056.db2.gz KBCHBLLYRHCENW-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+][C@@H](C=C(C)C)c1cnn[nH]1 87600568 573975234 /nfs/dbraw/zinc/97/52/34/573975234.db2.gz MKQGYPIKTRYYFQ-ZETCQYMHSA-N 1 1 166.228 1.031 10 0 ADAEMO C[C@@H]1CCC[C@@H]([C@H]([NH3+])c2cn[nH]n2)C1 87599899 573975285 /nfs/dbraw/zinc/97/52/85/573975285.db2.gz XFKGWYUYAHTVDS-MRTMQBJTSA-N 1 1 194.282 1.631 10 0 ADAEMO [NH3+][C@@H](Cc1ccccc1)c1cn[nH]n1 87599920 573975607 /nfs/dbraw/zinc/97/56/07/573975607.db2.gz KQNIHWYDDSWXSM-VIFPVBQESA-N 1 1 188.234 1.047 10 0 ADAEMO [NH3+][C@@H](Cc1ccccc1)c1cnn[nH]1 87599920 573975612 /nfs/dbraw/zinc/97/56/12/573975612.db2.gz KQNIHWYDDSWXSM-VIFPVBQESA-N 1 1 188.234 1.047 10 0 ADAEMO C[NH2+][C@H](c1cnn[nH]1)C1CCCCC1 87600828 573975667 /nfs/dbraw/zinc/97/56/67/573975667.db2.gz KWWPUNTVXHNIFO-JTQLQIEISA-N 1 1 194.282 1.646 10 0 ADAEMO CC1(C)C[NH2+]CC(F)(F)C1 238230057 573975782 /nfs/dbraw/zinc/97/57/82/573975782.db2.gz SBXPEKUXSJNQGX-UHFFFAOYSA-N 1 1 149.184 1.641 10 0 ADAEMO CC(C)[N@H+]1CC[C@]2(C1)NCCS2 87602312 573975861 /nfs/dbraw/zinc/97/58/61/573975861.db2.gz VGJVNWNDILNIOP-VIFPVBQESA-N 1 1 186.324 1.133 10 0 ADAEMO CC(C)N1CC[C@]2(C1)[NH2+]CCS2 87602312 573975864 /nfs/dbraw/zinc/97/58/64/573975864.db2.gz VGJVNWNDILNIOP-VIFPVBQESA-N 1 1 186.324 1.133 10 0 ADAEMO [NH3+][C@@H]1NCCc2c1[nH]c1ccccc21 259254073 573975874 /nfs/dbraw/zinc/97/58/74/573975874.db2.gz ATFASSSYZLYHQL-LLVKDONJSA-N 1 1 187.246 1.271 10 0 ADAEMO CC(C)[N@H+]1CC[C@@]2(C1)NCCS2 87602311 573975962 /nfs/dbraw/zinc/97/59/62/573975962.db2.gz VGJVNWNDILNIOP-SECBINFHSA-N 1 1 186.324 1.133 10 0 ADAEMO CC(C)N1CC[C@@]2(C1)[NH2+]CCS2 87602311 573975965 /nfs/dbraw/zinc/97/59/65/573975965.db2.gz VGJVNWNDILNIOP-SECBINFHSA-N 1 1 186.324 1.133 10 0 ADAEMO Cc1ccccc1[C@H]([NH3+])c1cn[nH]n1 87599833 573976123 /nfs/dbraw/zinc/97/61/23/573976123.db2.gz WLHPVRUQVNRSMZ-JTQLQIEISA-N 1 1 188.234 1.161 10 0 ADAEMO Cc1ccc([C@@H]([NH3+])c2cn[nH]n2)cc1 87600202 573976328 /nfs/dbraw/zinc/97/63/28/573976328.db2.gz HJWKUJWLCXATHR-SNVBAGLBSA-N 1 1 188.234 1.161 10 0 ADAEMO CC(C)C[C@H](C)[N@@H+](C)CCC[NH3+] 42562698 573977886 /nfs/dbraw/zinc/97/78/86/573977886.db2.gz AYQIUZSPMMULIC-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO CC(C)C[C@@H](C)[N@@H+](C)CCN 42562700 573978018 /nfs/dbraw/zinc/97/80/18/573978018.db2.gz HMYQJHYIQWXHII-SECBINFHSA-N 1 1 158.289 1.312 10 0 ADAEMO CC(C)C[C@@H](C)N(C)CC[NH3+] 42562700 573978024 /nfs/dbraw/zinc/97/80/24/573978024.db2.gz HMYQJHYIQWXHII-SECBINFHSA-N 1 1 158.289 1.312 10 0 ADAEMO CC(C)C[C@@H](C)[N@@H+](C)CCC[NH3+] 42562696 573978051 /nfs/dbraw/zinc/97/80/51/573978051.db2.gz AYQIUZSPMMULIC-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO Cc1n[nH]c(C)c1[C@H]1[NH2+]C[C@H](C)S1 87603008 573978054 /nfs/dbraw/zinc/97/80/54/573978054.db2.gz IRRKSIHTMPKVEM-CDUCUWFYSA-N 1 1 197.307 1.750 10 0 ADAEMO C[C@@H]1CN[C@@]2(CC[N@@H+](C3CC3)C2)S1 87602929 573978096 /nfs/dbraw/zinc/97/80/96/573978096.db2.gz DFDPQFHGQFHVIW-SCZZXKLOSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@@H]1CN[C@@]2(CC[N@H+](C3CC3)C2)S1 87602929 573978097 /nfs/dbraw/zinc/97/80/97/573978097.db2.gz DFDPQFHGQFHVIW-SCZZXKLOSA-N 1 1 198.335 1.276 10 0 ADAEMO COC(OC)[C@]1(C)[NH2+]CCCS1 87603565 573978162 /nfs/dbraw/zinc/97/81/62/573978162.db2.gz UBKZSJLYPNPXEA-MRVPVSSYSA-N 1 1 191.296 1.048 10 0 ADAEMO CCC[N@H+]1[C@H]2CC[C@@H]1C[C@H](O)C2 238220422 573978217 /nfs/dbraw/zinc/97/82/17/573978217.db2.gz ICLCILJDFDMZEP-MYJAWHEDSA-N 1 1 169.268 1.384 10 0 ADAEMO CCCCC(=[NH2+])Nc1ccn[nH]1 238222021 573978422 /nfs/dbraw/zinc/97/84/22/573978422.db2.gz SQVMVUNIABLKTR-UHFFFAOYSA-N 1 1 166.228 1.989 10 0 ADAEMO CCCCC(=[NH2+])Nc1cc[nH]n1 238222021 573978427 /nfs/dbraw/zinc/97/84/27/573978427.db2.gz SQVMVUNIABLKTR-UHFFFAOYSA-N 1 1 166.228 1.989 10 0 ADAEMO CCC[C@@H]1NCC[C@H]2CCCC[N@@H+]21 238221299 573978438 /nfs/dbraw/zinc/97/84/38/573978438.db2.gz BOKZSODTQNDROT-GHMZBOCLSA-N 1 1 182.311 1.960 10 0 ADAEMO CCC[C@@H]1NCC[C@H]2CCCC[N@H+]21 238221299 573978442 /nfs/dbraw/zinc/97/84/42/573978442.db2.gz BOKZSODTQNDROT-GHMZBOCLSA-N 1 1 182.311 1.960 10 0 ADAEMO CCC[N@@H+]1CCc2noc(N)c2C1 107459861 573978542 /nfs/dbraw/zinc/97/85/42/573978542.db2.gz JDYJRGAAGVBEIP-UHFFFAOYSA-N 1 1 181.239 1.025 10 0 ADAEMO CCC[N@H+]1CCc2noc(N)c2C1 107459861 573978547 /nfs/dbraw/zinc/97/85/47/573978547.db2.gz JDYJRGAAGVBEIP-UHFFFAOYSA-N 1 1 181.239 1.025 10 0 ADAEMO CCC[C@@H]1NCC[C@@H]2CCCC[N@@H+]21 238221277 573978588 /nfs/dbraw/zinc/97/85/88/573978588.db2.gz BOKZSODTQNDROT-WDEREUQCSA-N 1 1 182.311 1.960 10 0 ADAEMO CCC[C@@H]1NCC[C@@H]2CCCC[N@H+]21 238221277 573978592 /nfs/dbraw/zinc/97/85/92/573978592.db2.gz BOKZSODTQNDROT-WDEREUQCSA-N 1 1 182.311 1.960 10 0 ADAEMO C[C@@H]1CS[C@@]2(CC[N@@H+](C3CC3)C2)N1 87603444 573978610 /nfs/dbraw/zinc/97/86/10/573978610.db2.gz MBOSZDHODMEIIE-PSASIEDQSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@@H]1CS[C@@]2(CC[N@H+](C3CC3)C2)N1 87603444 573978617 /nfs/dbraw/zinc/97/86/17/573978617.db2.gz MBOSZDHODMEIIE-PSASIEDQSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@H]1CN[C@]2(CC[N@@H+](C3CC3)C2)S1 87602928 573978640 /nfs/dbraw/zinc/97/86/40/573978640.db2.gz DFDPQFHGQFHVIW-WCBMZHEXSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@H]1CN[C@]2(CC[N@H+](C3CC3)C2)S1 87602928 573978644 /nfs/dbraw/zinc/97/86/44/573978644.db2.gz DFDPQFHGQFHVIW-WCBMZHEXSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@H]1CS[C@]2(CC[N@@H+](C3CC3)C2)N1 87603443 573980359 /nfs/dbraw/zinc/98/03/59/573980359.db2.gz MBOSZDHODMEIIE-WPRPVWTQSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@H]1CS[C@]2(CC[N@H+](C3CC3)C2)N1 87603443 573980366 /nfs/dbraw/zinc/98/03/66/573980366.db2.gz MBOSZDHODMEIIE-WPRPVWTQSA-N 1 1 198.335 1.276 10 0 ADAEMO CC1=CC(C)(C)CC2=NCC[NH2+][C@H]12 238223755 573980370 /nfs/dbraw/zinc/98/03/70/573980370.db2.gz IAMRHFGUWXUIHL-SNVBAGLBSA-N 1 1 178.279 1.775 10 0 ADAEMO Cc1n[nH]c(C)c1[C@@H]1[NH2+][C@H](C)CS1 87603522 573979599 /nfs/dbraw/zinc/97/95/99/573979599.db2.gz GQSFBOQNDNMCBY-MLUIRONXSA-N 1 1 197.307 1.750 10 0 ADAEMO Cc1n[nH]c(C)c1[C@@H]1[NH2+][C@@H](C)CS1 87603524 573979765 /nfs/dbraw/zinc/97/97/65/573979765.db2.gz GQSFBOQNDNMCBY-SSDLBLMSSA-N 1 1 197.307 1.750 10 0 ADAEMO CCCC[N@H+]1[C@H]2CC[C@@H]1C[C@H](O)C2 238223523 573979880 /nfs/dbraw/zinc/97/98/80/573979880.db2.gz SBFFVWPQVLLWQA-URLYPYJESA-N 1 1 183.295 1.774 10 0 ADAEMO C[C@H]([NH3+])C(C)(C)C[N@@H+](C)C1CCC1 127834234 573980115 /nfs/dbraw/zinc/98/01/15/573980115.db2.gz HNPKPJYHHVIQJF-VIFPVBQESA-N 1 1 184.327 1.844 10 0 ADAEMO CCCC[N@H+]1C[C@H](C)[C@@H](O)C[C@@H]1C 238222500 573980203 /nfs/dbraw/zinc/98/02/03/573980203.db2.gz BYGMKSGEBIBHEM-DCAQKATOSA-N 1 1 185.311 1.878 10 0 ADAEMO CCCCc1nc([C@@H]([NH3+])COC)no1 127966223 573980208 /nfs/dbraw/zinc/98/02/08/573980208.db2.gz ANNZOLHFLPAKMS-ZETCQYMHSA-N 1 1 199.254 1.058 10 0 ADAEMO CCCC[N@H+]1C[C@H](C)[C@@H]([NH3+])C[C@@H]1C 238222473 573980243 /nfs/dbraw/zinc/98/02/43/573980243.db2.gz XRHZVLMGKUDFNZ-DCAQKATOSA-N 1 1 184.327 1.844 10 0 ADAEMO C1CN[C@]2(C[NH+]3CCC2CC3)SC1 87603586 573980263 /nfs/dbraw/zinc/98/02/63/573980263.db2.gz NSAFMYHMWKWDKN-SNVBAGLBSA-N 1 1 198.335 1.135 10 0 ADAEMO C[C@@H]([NH3+])C(C)(C)C[N@@H+](C)C1CCC1 127834435 573980275 /nfs/dbraw/zinc/98/02/75/573980275.db2.gz HNPKPJYHHVIQJF-SECBINFHSA-N 1 1 184.327 1.844 10 0 ADAEMO Cc1n[nH]c(C)c1[C@@H]1[NH2+]C[C@@H](C)S1 87603009 573980302 /nfs/dbraw/zinc/98/03/02/573980302.db2.gz IRRKSIHTMPKVEM-MLUIRONXSA-N 1 1 197.307 1.750 10 0 ADAEMO Cc1n[nH]c(C)c1[C@@H]1[NH2+]C[C@H](C)S1 87603007 573980330 /nfs/dbraw/zinc/98/03/30/573980330.db2.gz IRRKSIHTMPKVEM-SSDLBLMSSA-N 1 1 197.307 1.750 10 0 ADAEMO CC[C@H](CN)[N@@H+](CC1CC1)C(C)C 42580404 573983984 /nfs/dbraw/zinc/98/39/84/573983984.db2.gz CTFYXWSZKYKPIX-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](C)CN 42563544 573983454 /nfs/dbraw/zinc/98/34/54/573983454.db2.gz YZNVHPIBRGVHHW-UWVGGRQHSA-N 1 1 172.316 1.700 10 0 ADAEMO CC(C)C[C@H](C)N(C)[C@@H](C)C[NH3+] 42563544 573983458 /nfs/dbraw/zinc/98/34/58/573983458.db2.gz YZNVHPIBRGVHHW-UWVGGRQHSA-N 1 1 172.316 1.700 10 0 ADAEMO CC(C)[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1N 42582053 573983537 /nfs/dbraw/zinc/98/35/37/573983537.db2.gz ZHDXVUXVGNRTCL-NWDGAFQWSA-N 1 1 196.338 1.987 10 0 ADAEMO C[C@H]1CCS[C@@]2(CC[N@@H+](C)C2)N1 87604328 573983543 /nfs/dbraw/zinc/98/35/43/573983543.db2.gz DWMASMXDPFGMOH-DTWKUNHWSA-N 1 1 186.324 1.133 10 0 ADAEMO C[C@H]1CCS[C@@]2(CCN(C)C2)[NH2+]1 87604328 573983547 /nfs/dbraw/zinc/98/35/47/573983547.db2.gz DWMASMXDPFGMOH-DTWKUNHWSA-N 1 1 186.324 1.133 10 0 ADAEMO CC[C@H](C)[N@@H+](CCOC)[C@@H](C)CN 42578515 573983561 /nfs/dbraw/zinc/98/35/61/573983561.db2.gz QQZKYESVXKTJIB-UWVGGRQHSA-N 1 1 188.315 1.081 10 0 ADAEMO CC[C@H](C)N(CCOC)[C@@H](C)C[NH3+] 42578515 573983572 /nfs/dbraw/zinc/98/35/72/573983572.db2.gz QQZKYESVXKTJIB-UWVGGRQHSA-N 1 1 188.315 1.081 10 0 ADAEMO CCOC(=O)[C@](C)([NH3+])CSCC 45553344 573983622 /nfs/dbraw/zinc/98/36/22/573983622.db2.gz HVQPEFUYSRYRPK-MRVPVSSYSA-N 1 1 191.296 1.020 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1c1ncc(CO)o1 258195743 573983634 /nfs/dbraw/zinc/98/36/34/573983634.db2.gz SUQCBWRZBZZMHY-SECBINFHSA-N 1 1 196.250 1.324 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1ncc(CO)o1 258195743 573983637 /nfs/dbraw/zinc/98/36/37/573983637.db2.gz SUQCBWRZBZZMHY-SECBINFHSA-N 1 1 196.250 1.324 10 0 ADAEMO CC(C)C[C@@H](C)[N@@H+](C)CC(N)=S 42583038 573983728 /nfs/dbraw/zinc/98/37/28/573983728.db2.gz WETFCJWIGQNFSZ-MRVPVSSYSA-N 1 1 188.340 1.639 10 0 ADAEMO C1CN[C@@]2(CC[N@H+](C3CC3)C2)SC1 87603807 573983807 /nfs/dbraw/zinc/98/38/07/573983807.db2.gz QKGDKTMTBBXFKR-JTQLQIEISA-N 1 1 198.335 1.277 10 0 ADAEMO C1C[NH2+][C@@]2(CCN(C3CC3)C2)SC1 87603807 573983809 /nfs/dbraw/zinc/98/38/09/573983809.db2.gz 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238230431 573986389 /nfs/dbraw/zinc/98/63/89/573986389.db2.gz LYGTXQYOQIEDJP-NXEZZACHSA-N 1 1 170.300 1.312 10 0 ADAEMO CC(C)[C@H]1CCCN(C)[C@@H]1C[NH3+] 238230431 573986392 /nfs/dbraw/zinc/98/63/92/573986392.db2.gz LYGTXQYOQIEDJP-NXEZZACHSA-N 1 1 170.300 1.312 10 0 ADAEMO C[N@@H+]1CC[C@@]2(C1)NC(C)(C)CS2 87606074 573986506 /nfs/dbraw/zinc/98/65/06/573986506.db2.gz BQRHPQRKAWCYRF-SECBINFHSA-N 1 1 186.324 1.133 10 0 ADAEMO C[N@H+]1CC[C@@]2(C1)NC(C)(C)CS2 87606074 573986511 /nfs/dbraw/zinc/98/65/11/573986511.db2.gz BQRHPQRKAWCYRF-SECBINFHSA-N 1 1 186.324 1.133 10 0 ADAEMO C[N@H+]1CC[C@]2(C1)NC(C)(C)CS2 87606073 573986995 /nfs/dbraw/zinc/98/69/95/573986995.db2.gz BQRHPQRKAWCYRF-VIFPVBQESA-N 1 1 186.324 1.133 10 0 ADAEMO [NH3+]CC1(c2cc(O)ccc2C=O)CC1 258196635 573987009 /nfs/dbraw/zinc/98/70/09/573987009.db2.gz YAROSCXQNODROX-UHFFFAOYSA-N 1 1 191.230 1.195 10 0 ADAEMO CC[C@@H](C)[C@@H](O)Cn1cc(C)[nH+]c1C 715108785 573987144 /nfs/dbraw/zinc/98/71/44/573987144.db2.gz 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HZIDNSJOEVQOIS-SECBINFHSA-N 1 1 198.335 1.927 10 0 ADAEMO CN1CCCC[C@H]1C1([NH3+])CCCC1 258199515 574007222 /nfs/dbraw/zinc/00/72/22/574007222.db2.gz ZDKRFQIDKHJDHJ-JTQLQIEISA-N 1 1 182.311 1.742 10 0 ADAEMO CC[NH+]1CC(n2cc(C3CC3)nn2)C1 585379822 574007248 /nfs/dbraw/zinc/00/72/48/574007248.db2.gz OFWVRGNRLYIDGU-UHFFFAOYSA-N 1 1 192.266 1.032 10 0 ADAEMO FC(F)C[NH2+]C[C@H]1CCCS1 87669327 574007393 /nfs/dbraw/zinc/00/73/93/574007393.db2.gz CFZWIUDPGNVXMI-ZCFIWIBFSA-N 1 1 181.251 1.737 10 0 ADAEMO Oc1cc([C@H]2COCC[NH2+]2)ccc1F 104493557 574007479 /nfs/dbraw/zinc/00/74/79/574007479.db2.gz OPNHIPWQGIBQJI-SECBINFHSA-N 1 1 197.209 1.192 10 0 ADAEMO CCc1cc(Cl)ccc1[C@@H]([NH3+])CN 104493830 574009367 /nfs/dbraw/zinc/00/93/67/574009367.db2.gz JFTAVDVVLHKFOV-JTQLQIEISA-N 1 1 198.697 1.861 10 0 ADAEMO CCc1ccc(Cl)cc1[C@@H]([NH3+])CN 104492425 574009546 /nfs/dbraw/zinc/00/95/46/574009546.db2.gz VVDSKMKXNWHWBG-JTQLQIEISA-N 1 1 198.697 1.861 10 0 ADAEMO O=C1CC[NH+](C[C@H]2CCCS2)CC1 87669443 574009567 /nfs/dbraw/zinc/00/95/67/574009567.db2.gz VYIHPNBZCKOEBO-SNVBAGLBSA-N 1 1 199.319 1.547 10 0 ADAEMO Cc1oncc1C[NH+]1CC(CF)C1 585381308 574009584 /nfs/dbraw/zinc/00/95/84/574009584.db2.gz IUHOMFSIAMVNME-UHFFFAOYSA-N 1 1 184.214 1.384 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1C1(O)CCC1 258202241 574009791 /nfs/dbraw/zinc/00/97/91/574009791.db2.gz ZISYAWGKDUZHBC-SNVBAGLBSA-N 1 1 183.295 1.774 10 0 ADAEMO Cn1ccc([C@@H]2CCC[N@@H+](C)C2)n1 585381219 574009837 /nfs/dbraw/zinc/00/98/37/574009837.db2.gz SSTLWDYDFBZBKK-SECBINFHSA-N 1 1 179.267 1.229 10 0 ADAEMO COc1cc(F)c(C)cc1C(=O)C[NH3+] 258203247 574009923 /nfs/dbraw/zinc/00/99/23/574009923.db2.gz YQAYLBSHAIGEAO-UHFFFAOYSA-N 1 1 197.209 1.284 10 0 ADAEMO CC1(C)[C@@H](CCO)CC[N@H+]1C1CC1 259272180 574009924 /nfs/dbraw/zinc/00/99/24/574009924.db2.gz GCMICZTZWMKTFE-SECBINFHSA-N 1 1 183.295 1.632 10 0 ADAEMO CCN[C@]1(C[NH3+])CCc2ccccc21 238246834 574009927 /nfs/dbraw/zinc/00/99/27/574009927.db2.gz YVHDJLUPKVIIQU-LBPRGKRZSA-N 1 1 190.290 1.396 10 0 ADAEMO C[NH2+]C(C)(C)[C@H](N)C1CCCCC1 259271469 574010750 /nfs/dbraw/zinc/01/07/50/574010750.db2.gz IXTJLLAUTJPEED-SNVBAGLBSA-N 1 1 184.327 1.892 10 0 ADAEMO CCc1c(Cl)cccc1[C@@H]([NH3+])CN 104492431 574010875 /nfs/dbraw/zinc/01/08/75/574010875.db2.gz SLCQJQDFCXGUGV-JTQLQIEISA-N 1 1 198.697 1.861 10 0 ADAEMO NC[C@@H]([NH3+])c1cncc2ccccc12 104494343 574010890 /nfs/dbraw/zinc/01/08/90/574010890.db2.gz FBXZUTLUTRHNJM-LLVKDONJSA-N 1 1 187.246 1.193 10 0 ADAEMO FCC1C[NH+](Cc2ccoc2)C1 585381395 574010892 /nfs/dbraw/zinc/01/08/92/574010892.db2.gz KCPZZRRPAJPIOJ-UHFFFAOYSA-N 1 1 169.199 1.681 10 0 ADAEMO Cn1ccc([C@H]2CCC[N@@H+](C)C2)n1 585381220 574010904 /nfs/dbraw/zinc/01/09/04/574010904.db2.gz SSTLWDYDFBZBKK-VIFPVBQESA-N 1 1 179.267 1.229 10 0 ADAEMO CC[N@H+]1CCC[C@@](O)(C(F)F)CC1 87687150 574010966 /nfs/dbraw/zinc/01/09/66/574010966.db2.gz WTZVAJHKXBOENS-VIFPVBQESA-N 1 1 193.237 1.488 10 0 ADAEMO Oc1cc([C@@H]2COCC[NH2+]2)ccc1F 104493551 574011138 /nfs/dbraw/zinc/01/11/38/574011138.db2.gz OPNHIPWQGIBQJI-VIFPVBQESA-N 1 1 197.209 1.192 10 0 ADAEMO CCC[C@H]1CC[C@]2(C)NCC[N@@H+]2C1 238246674 574011396 /nfs/dbraw/zinc/01/13/96/574011396.db2.gz GXPJMMKZVQDSOB-WDEREUQCSA-N 1 1 182.311 1.818 10 0 ADAEMO CCC[C@H]1CC[C@]2(C)NCC[N@H+]2C1 238246674 574011400 /nfs/dbraw/zinc/01/14/00/574011400.db2.gz GXPJMMKZVQDSOB-WDEREUQCSA-N 1 1 182.311 1.818 10 0 ADAEMO CCn1cncc1Cn1cc[nH+]c1C 85192503 574012390 /nfs/dbraw/zinc/01/23/90/574012390.db2.gz QBHPFDMDLPIXTA-UHFFFAOYSA-N 1 1 190.250 1.456 10 0 ADAEMO C[C@@H]1CN[C@@]2(CC[N@H+]3CCC[C@@H]32)S1 123375838 574011924 /nfs/dbraw/zinc/01/19/24/574011924.db2.gz AYVRKAZXMHKSFH-BBBLOLIVSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@@H]1C[NH2+][C@@]2(CCN3CCC[C@@H]32)S1 123375838 574011927 /nfs/dbraw/zinc/01/19/27/574011927.db2.gz AYVRKAZXMHKSFH-BBBLOLIVSA-N 1 1 198.335 1.276 10 0 ADAEMO CCc1cccc(Cl)c1[C@H]([NH3+])CN 104495231 574011943 /nfs/dbraw/zinc/01/19/43/574011943.db2.gz RAMZKRCANOCABI-SECBINFHSA-N 1 1 198.697 1.861 10 0 ADAEMO CC[C@@H]([NH2+]C)C(F)F 87687436 574011960 /nfs/dbraw/zinc/01/19/60/574011960.db2.gz WBAYZAXSAQSADO-SCSAIBSYSA-N 1 1 123.146 1.250 10 0 ADAEMO CCC1=CC[N@@H+](CCO)CC1 238240449 574012010 /nfs/dbraw/zinc/01/20/10/574012010.db2.gz FNMSVEPHXLQTOG-UHFFFAOYSA-N 1 1 155.241 1.021 10 0 ADAEMO COc1cccc([C@@H]([NH3+])C(F)F)c1 87687326 574012033 /nfs/dbraw/zinc/01/20/33/574012033.db2.gz BDUXQGZEJVDIQB-MRVPVSSYSA-N 1 1 187.189 1.960 10 0 ADAEMO CC[C@H]1CCCC[C@H]1OC(=O)[C@H](C)[NH3+] 48634622 574012089 /nfs/dbraw/zinc/01/20/89/574012089.db2.gz MDRDIIWPZJIXLS-LPEHRKFASA-N 1 1 199.294 1.846 10 0 ADAEMO N[C@]1(C(F)(F)F)CC[N@H+]2CCC[C@@H]21 123393491 574012174 /nfs/dbraw/zinc/01/21/74/574012174.db2.gz KECLDTQCCGBNNB-RNFRBKRXSA-N 1 1 194.200 1.114 10 0 ADAEMO C[N@H+]1CCC[C@](O)(C(F)F)CC1 87687147 574012187 /nfs/dbraw/zinc/01/21/87/574012187.db2.gz UWDYNQAGJBCSQI-MRVPVSSYSA-N 1 1 179.210 1.098 10 0 ADAEMO CC(C)CC[NH+]1C[C@@H]2CN(C)C[C@H]2C1 585382404 574012202 /nfs/dbraw/zinc/01/22/02/574012202.db2.gz MZJBLYCFVBZDJG-RYUDHWBXSA-N 1 1 196.338 1.526 10 0 ADAEMO COC(=O)[C@@H]1CC[N@H+]2CCC[C@@H]2C1 259592865 574012268 /nfs/dbraw/zinc/01/22/68/574012268.db2.gz CBWLHRZVSFWCPB-RKDXNWHRSA-N 1 1 183.251 1.034 10 0 ADAEMO C[C@H]1[NH2+]CCN[C@H]1C1CCCCC1 259273850 574012848 /nfs/dbraw/zinc/01/28/48/574012848.db2.gz QYUKQVWVCLDEGW-MWLCHTKSSA-N 1 1 182.311 1.517 10 0 ADAEMO CN1C[C@H]2C[N@@H+](C3CCCC3)C[C@H]2C1 585382923 574012891 /nfs/dbraw/zinc/01/28/91/574012891.db2.gz WBYTWQKHSMIHSF-PHIMTYICSA-N 1 1 194.322 1.422 10 0 ADAEMO CN1C[C@H]2C[N@H+](C3CCCC3)C[C@H]2C1 585382923 574012895 /nfs/dbraw/zinc/01/28/95/574012895.db2.gz WBYTWQKHSMIHSF-PHIMTYICSA-N 1 1 194.322 1.422 10 0 ADAEMO C[C@@H]1[NH2+]CCN[C@@H]1C1CCCCC1 259273852 574012944 /nfs/dbraw/zinc/01/29/44/574012944.db2.gz QYUKQVWVCLDEGW-ONGXEEELSA-N 1 1 182.311 1.517 10 0 ADAEMO CC[C@H]1CCCC[C@H]1OC(=O)C[NH3+] 48634096 574012957 /nfs/dbraw/zinc/01/29/57/574012957.db2.gz WFDSCPOLOJTNFF-DTWKUNHWSA-N 1 1 185.267 1.457 10 0 ADAEMO CC[N@H+]1CCC[C@](O)(C(F)F)CC1 87687149 574013131 /nfs/dbraw/zinc/01/31/31/574013131.db2.gz WTZVAJHKXBOENS-SECBINFHSA-N 1 1 193.237 1.488 10 0 ADAEMO CC(C)CC[NH+]1C[C@H]2CN(C)C[C@@H]2C1 585382409 574013143 /nfs/dbraw/zinc/01/31/43/574013143.db2.gz MZJBLYCFVBZDJG-VXGBXAGGSA-N 1 1 196.338 1.526 10 0 ADAEMO CC[C@H]([NH2+]C)C(F)F 87687435 574013159 /nfs/dbraw/zinc/01/31/59/574013159.db2.gz WBAYZAXSAQSADO-BYPYZUCNSA-N 1 1 123.146 1.250 10 0 ADAEMO C[C@H]([NH3+])C(=O)O[C@@H](C)c1ccccc1 48635417 574013185 /nfs/dbraw/zinc/01/31/85/574013185.db2.gz DCTUMHBWCJEEIT-IUCAKERBSA-N 1 1 193.246 1.638 10 0 ADAEMO CC[C@H]1CCCC[C@@H]1OC(=O)C[NH3+] 48634092 574013214 /nfs/dbraw/zinc/01/32/14/574013214.db2.gz WFDSCPOLOJTNFF-IUCAKERBSA-N 1 1 185.267 1.457 10 0 ADAEMO CC[C@@H]1CCCC[C@@H]1OC(=O)[C@H](C)[NH3+] 48634613 574013275 /nfs/dbraw/zinc/01/32/75/574013275.db2.gz MDRDIIWPZJIXLS-AEJSXWLSSA-N 1 1 199.294 1.846 10 0 ADAEMO CN1C[C@@H]2C[NH+](C3CCCC3)C[C@H]2C1 585382922 574013371 /nfs/dbraw/zinc/01/33/71/574013371.db2.gz WBYTWQKHSMIHSF-GHMZBOCLSA-N 1 1 194.322 1.422 10 0 ADAEMO CCn1c[nH+]cc1Cn1cccc1 85192499 574013389 /nfs/dbraw/zinc/01/33/89/574013389.db2.gz LRHQQVIPCKSWSD-UHFFFAOYSA-N 1 1 175.235 1.753 10 0 ADAEMO CC(C)COC(=O)C[NH2+]C1CCCC1 48634881 574013499 /nfs/dbraw/zinc/01/34/99/574013499.db2.gz HASNIEAEIZTEOZ-UHFFFAOYSA-N 1 1 199.294 1.718 10 0 ADAEMO CC(C)COC(=O)[C@H]([NH3+])C(C)(C)C 48634824 574013508 /nfs/dbraw/zinc/01/35/08/574013508.db2.gz IHSPXLCPAPYFPQ-QMMMGPOBSA-N 1 1 187.283 1.559 10 0 ADAEMO C[NH2+][C@@]1(C(F)F)CCO[C@H](C)C1 87688736 574013566 /nfs/dbraw/zinc/01/35/66/574013566.db2.gz IVJPRZPMMYARCL-SVRRBLITSA-N 1 1 179.210 1.409 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)OC1CCCC1 48632285 574013533 /nfs/dbraw/zinc/01/35/33/574013533.db2.gz CUWUDIYTTLMYHS-VIFPVBQESA-N 1 1 185.267 1.600 10 0 ADAEMO C[C@@H]1CS[C@@]2(CC[N@H+]3CCC[C@@H]32)N1 123376674 574013534 /nfs/dbraw/zinc/01/35/34/574013534.db2.gz DHDUJKYDSNTXLW-OPRDCNLKSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@@H]1CS[C@@]2(CCN3CCC[C@@H]32)[NH2+]1 123376674 574013538 /nfs/dbraw/zinc/01/35/38/574013538.db2.gz DHDUJKYDSNTXLW-OPRDCNLKSA-N 1 1 198.335 1.276 10 0 ADAEMO CCc1nc(CC[NH2+]C(C)(C)C)n[nH]1 48630842 574015103 /nfs/dbraw/zinc/01/51/03/574015103.db2.gz BWWKWEASHWJCEX-UHFFFAOYSA-N 1 1 196.298 1.298 10 0 ADAEMO COC(=O)[C@@H]1CC[N@H+]2CCC[C@H]2C1 259592848 574014324 /nfs/dbraw/zinc/01/43/24/574014324.db2.gz CBWLHRZVSFWCPB-BDAKNGLRSA-N 1 1 183.251 1.034 10 0 ADAEMO C=Cc1cc(N)c[nH+]c1N(C)C 209789918 574014412 /nfs/dbraw/zinc/01/44/12/574014412.db2.gz BIEPHMHHUOFNMP-UHFFFAOYSA-N 1 1 163.224 1.373 10 0 ADAEMO Oc1cc(F)cc([C@H]2COCC[NH2+]2)c1 104494895 574014438 /nfs/dbraw/zinc/01/44/38/574014438.db2.gz IBLHZGPWHRQBEF-SNVBAGLBSA-N 1 1 197.209 1.192 10 0 ADAEMO CCCCC[N@@H+](C)Cc1cc(N)no1 259272942 574014444 /nfs/dbraw/zinc/01/44/44/574014444.db2.gz REOIDPCODXLDHD-UHFFFAOYSA-N 1 1 197.282 1.879 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)OC1CCCCC1 48632164 574014459 /nfs/dbraw/zinc/01/44/59/574014459.db2.gz KGHYKGWGSDZXCT-JTQLQIEISA-N 1 1 199.294 1.990 10 0 ADAEMO C[C@@H]1[NH2+]CCN[C@H]1C1CCCCC1 259273845 574014558 /nfs/dbraw/zinc/01/45/58/574014558.db2.gz QYUKQVWVCLDEGW-GXSJLCMTSA-N 1 1 182.311 1.517 10 0 ADAEMO CN[C@@]1(C(F)F)CC[N@H+](C(C)C)C1 87688672 574014564 /nfs/dbraw/zinc/01/45/64/574014564.db2.gz SICLGZWEKSTETD-VIFPVBQESA-N 1 1 192.253 1.324 10 0 ADAEMO C1CN[C@]2(CC[N@@H+]3CCC[C@@H]32)SC1 123377550 574014602 /nfs/dbraw/zinc/01/46/02/574014602.db2.gz YHSSICABKOUXTI-NXEZZACHSA-N 1 1 198.335 1.277 10 0 ADAEMO C[C@H]([NH3+])C(=O)O[C@H](C)c1ccccc1 48635420 574014621 /nfs/dbraw/zinc/01/46/21/574014621.db2.gz DCTUMHBWCJEEIT-DTWKUNHWSA-N 1 1 193.246 1.638 10 0 ADAEMO CC[C@@H]1C[C@]([NH2+]C)(C(F)F)CCO1 87688398 574014638 /nfs/dbraw/zinc/01/46/38/574014638.db2.gz VJSSQFYIEBNMTP-APPZFPTMSA-N 1 1 193.237 1.799 10 0 ADAEMO COC(=O)[C@H]1CC[N@H+]2CCC[C@@H]2C1 259592855 574014647 /nfs/dbraw/zinc/01/46/47/574014647.db2.gz CBWLHRZVSFWCPB-DTWKUNHWSA-N 1 1 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ADAEMO CNCC[N@@H+](CC1CC1)C(C)C 42590332 574025474 /nfs/dbraw/zinc/02/54/74/574025474.db2.gz ZMRGRXMZYNRODO-UHFFFAOYSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)[C@@H](CN(C)C)N1CCCC1=[NH2+] 49217133 574025482 /nfs/dbraw/zinc/02/54/82/574025482.db2.gz NVJRDAJPIITWQU-SNVBAGLBSA-N 1 1 197.326 1.646 10 0 ADAEMO CCN[C@@]1(C(F)(F)F)CC[N@H+](C)C1 85277317 574025603 /nfs/dbraw/zinc/02/56/03/574025603.db2.gz JJYJKDMHICECCM-ZETCQYMHSA-N 1 1 196.216 1.233 10 0 ADAEMO CCN[C@@]1(C(F)(F)F)CC[N@@H+](C)C1 85277317 574025607 /nfs/dbraw/zinc/02/56/07/574025607.db2.gz JJYJKDMHICECCM-ZETCQYMHSA-N 1 1 196.216 1.233 10 0 ADAEMO C[C@@H]1c2[nH]c(N)[nH+]c2CC[C@H]1C 85279398 574027601 /nfs/dbraw/zinc/02/76/01/574027601.db2.gz QMHQLJGZICTCJJ-RITPCOANSA-N 1 1 165.240 1.678 10 0 ADAEMO CCC[C@@H]1CCc2[nH+]c(N)[nH]c2C1 85279247 574027621 /nfs/dbraw/zinc/02/76/21/574027621.db2.gz DNBQWCVOVLKBDS-SSDOTTSWSA-N 1 1 179.267 1.897 10 0 ADAEMO C[C@@H]1CCc2[nH+]c(N)[nH]c2[C@@H]1C 85279394 574027643 /nfs/dbraw/zinc/02/76/43/574027643.db2.gz QMHQLJGZICTCJJ-PHDIDXHHSA-N 1 1 165.240 1.678 10 0 ADAEMO CC1(C)CC[C@@H]([N@H+]2CCC[C@H](N)C2)C1 87772851 574027656 /nfs/dbraw/zinc/02/76/56/574027656.db2.gz NXFIIUARMBEASJ-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)CC[C@@H](N2CCC[C@H]([NH3+])C2)C1 87772851 574027657 /nfs/dbraw/zinc/02/76/57/574027657.db2.gz NXFIIUARMBEASJ-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@@H+](CCN)[C@@H]1CCC(C)(C)C1 87772865 574027666 /nfs/dbraw/zinc/02/76/66/574027666.db2.gz XLTWDZSLISQYCD-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO CN(CC[NH3+])[C@@H]1CCC(C)(C)C1 87772865 574027667 /nfs/dbraw/zinc/02/76/67/574027667.db2.gz XLTWDZSLISQYCD-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@]1(c2ncc(C[NH3+])[nH]2)CCCCO1 87764781 574027767 /nfs/dbraw/zinc/02/77/67/574027767.db2.gz YWBQDXNKYZWWFB-JTQLQIEISA-N 1 1 195.266 1.284 10 0 ADAEMO C[NH2+][C@]1(C(=O)OC)CCC(C)(C)C1 87772742 574027779 /nfs/dbraw/zinc/02/77/79/574027779.db2.gz QZRXAFQLAUBXOL-SNVBAGLBSA-N 1 1 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196.338 1.988 10 0 ADAEMO CN(C)[C@]1(C[NH3+])CCC(C)(C)C1 87772491 574028189 /nfs/dbraw/zinc/02/81/89/574028189.db2.gz ZFOFZYJYPXLEDB-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CC1(C)CC[C@H]([N@H+]2CC[C@H](N)C2)C1 87772858 574028209 /nfs/dbraw/zinc/02/82/09/574028209.db2.gz KOHOZLDMFZOSOO-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[C@@H]1CCc2[nH+]c(N)[nH]c2C1 85279227 574028253 /nfs/dbraw/zinc/02/82/53/574028253.db2.gz GCHYLCWCLDZFIB-SSDOTTSWSA-N 1 1 179.267 1.753 10 0 ADAEMO C[C@H]1CCCc2[nH+]c(N)[nH]c21 85279225 574028284 /nfs/dbraw/zinc/02/82/84/574028284.db2.gz NUELNSZYYHDJMB-YFKPBYRVSA-N 1 1 151.213 1.432 10 0 ADAEMO Nc1[nH]c2c([nH+]1)CCc1ccccc1-2 85279260 574028321 /nfs/dbraw/zinc/02/83/21/574028321.db2.gz SOHOYFMFCCJELG-UHFFFAOYSA-N 1 1 185.230 1.758 10 0 ADAEMO CC1(C)CC[C@@H]([N@H+]2CCCNCC2)C1 87772845 574028339 /nfs/dbraw/zinc/02/83/39/574028339.db2.gz CROOCNGOTNYVBE-LLVKDONJSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@H]1CCc2[nH+]c(N)[nH]c2[C@H]1C 85279400 574028360 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87773825 574029633 /nfs/dbraw/zinc/02/96/33/574029633.db2.gz FCPBDDQBLLCFJG-SECBINFHSA-N 1 1 168.240 1.280 10 0 ADAEMO C[C@H]1C[NH2+][C@@H](c2cccnc2)S1 85301856 574029754 /nfs/dbraw/zinc/02/97/54/574029754.db2.gz MVBRBSRJVFJQBD-IONNQARKSA-N 1 1 180.276 1.805 10 0 ADAEMO C[C@@H]1C[NH2+][C@@H](c2cncn2C)S1 85301532 574029883 /nfs/dbraw/zinc/02/98/83/574029883.db2.gz YGEZDFJWJZSOSI-HTRCEHHLSA-N 1 1 183.280 1.144 10 0 ADAEMO CC(C)OCC[N@@H+](C)[C@@H](C)[C@@H](C)O 87782643 574032474 /nfs/dbraw/zinc/03/24/74/574032474.db2.gz HNSVWBVFLLZMFE-VHSXEESVSA-N 1 1 189.299 1.113 10 0 ADAEMO C[C@H]1CS[C@H](c2cncn2C)[NH2+]1 85309858 574032502 /nfs/dbraw/zinc/03/25/02/574032502.db2.gz WYKKJTNAUJUKBO-POYBYMJQSA-N 1 1 183.280 1.144 10 0 ADAEMO C[C@@H]1CS[C@H](c2cnn(C)c2)[NH2+]1 85310256 574031589 /nfs/dbraw/zinc/03/15/89/574031589.db2.gz DQUZWRWPASGXQN-HTRCEHHLSA-N 1 1 183.280 1.144 10 0 ADAEMO O=C1CCC[C@H]1[C@H]1CCC[N@@H+]1CCF 87775537 574031610 /nfs/dbraw/zinc/03/16/10/574031610.db2.gz 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87820078 574043873 /nfs/dbraw/zinc/04/38/73/574043873.db2.gz RPJXHAKOEKZIIF-SSDOTTSWSA-N 1 1 192.266 1.356 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1c1cc(N)no1 259301642 574047660 /nfs/dbraw/zinc/04/76/60/574047660.db2.gz QVKHWXHQODZHFB-QMMMGPOBSA-N 1 1 195.266 1.804 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1c1cc(N)no1 259301641 574047722 /nfs/dbraw/zinc/04/77/22/574047722.db2.gz QVKHWXHQODZHFB-MRVPVSSYSA-N 1 1 195.266 1.804 10 0 ADAEMO C[N@H+]1CC[C@@H](c2ccc(Cl)nn2)C1 259300333 574047744 /nfs/dbraw/zinc/04/77/44/574047744.db2.gz BOYCXTVDOLVQLY-SSDOTTSWSA-N 1 1 197.669 1.549 10 0 ADAEMO CC(C)[C@@H](C)Nc1cncc(NN)[nH+]1 87884321 574047801 /nfs/dbraw/zinc/04/78/01/574047801.db2.gz FOQPCHMQHJCHQI-SSDOTTSWSA-N 1 1 195.270 1.219 10 0 ADAEMO CCSc1nc[nH+]c(NN)c1CC 87889811 574047891 /nfs/dbraw/zinc/04/78/91/574047891.db2.gz WIGHWLUKJZDGOT-UHFFFAOYSA-N 1 1 198.295 1.437 10 0 ADAEMO CCCC[C@H](N)C[NH2+][C@H]1C[C@H]1C1CC1 717008616 574047995 /nfs/dbraw/zinc/04/79/95/574047995.db2.gz BVALFGJXSHULSP-SRVKXCTJSA-N 1 1 196.338 1.892 10 0 ADAEMO CCCC[C@H](N)C[NH2+][C@H]1C[C@@H]1C1CC1 717008620 574048028 /nfs/dbraw/zinc/04/80/28/574048028.db2.gz BVALFGJXSHULSP-TUAOUCFPSA-N 1 1 196.338 1.892 10 0 ADAEMO CCSc1nc[nH+]c(NN)c1C 87889781 574048069 /nfs/dbraw/zinc/04/80/69/574048069.db2.gz PDRBRDIKSRMYKW-UHFFFAOYSA-N 1 1 184.268 1.183 10 0 ADAEMO CCC(C)(C)Nc1cncc(NN)[nH+]1 87885672 574048116 /nfs/dbraw/zinc/04/81/16/574048116.db2.gz KYGPEFZLPGZJER-UHFFFAOYSA-N 1 1 195.270 1.363 10 0 ADAEMO CC[N@@H+]1CC[C@H]1C(=O)NCC=C(C)C 1154271745 760675963 /nfs/dbraw/zinc/67/59/63/760675963.db2.gz UVHVJAGBFGYXQH-JTQLQIEISA-N 1 1 196.294 1.163 10 0 ADAEMO CC[N@H+]1CC[C@H]1C(=O)NCC=C(C)C 1154271745 760675972 /nfs/dbraw/zinc/67/59/72/760675972.db2.gz UVHVJAGBFGYXQH-JTQLQIEISA-N 1 1 196.294 1.163 10 0 ADAEMO CC[N@H+]1CC[C@@H]1C(=O)NCC=C(C)C 1154271747 760679443 /nfs/dbraw/zinc/67/94/43/760679443.db2.gz UVHVJAGBFGYXQH-SNVBAGLBSA-N 1 1 196.294 1.163 10 0 ADAEMO CC[N@@H+]1CC[C@@H]1C(=O)NCC=C(C)C 1154271747 760679436 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1.976 10 0 ADAEMO CNc1cc[nH+]c(NCC(F)F)n1 1161809458 760823815 /nfs/dbraw/zinc/82/38/15/760823815.db2.gz IQIYJUCNJZAZGP-UHFFFAOYSA-N 1 1 188.181 1.195 10 0 ADAEMO CCc1cccc(NCC2COC2)[nH+]1 1161951544 760825875 /nfs/dbraw/zinc/82/58/75/760825875.db2.gz UYGUAIMCCKKUTL-UHFFFAOYSA-N 1 1 192.262 1.702 10 0 ADAEMO CC(C)c1cccc(NCC(N)=O)[nH+]1 1161840722 760826346 /nfs/dbraw/zinc/82/63/46/760826346.db2.gz QLTULTRAEFPBFO-UHFFFAOYSA-N 1 1 193.250 1.102 10 0 ADAEMO CNc1cc[nH+]c(NC2CC(F)C2)n1 1162209341 760827962 /nfs/dbraw/zinc/82/79/62/760827962.db2.gz GZKQDHQUKGSNCU-UHFFFAOYSA-N 1 1 196.229 1.431 10 0 ADAEMO CNc1cc[nH+]c(NC2(C)CCC2)n1 1164025253 760851886 /nfs/dbraw/zinc/85/18/86/760851886.db2.gz MFTKBCVEMRVFEN-UHFFFAOYSA-N 1 1 192.266 1.873 10 0 ADAEMO CCc1cccc(N[C@@H](C)CCO)[nH+]1 1165938098 760858046 /nfs/dbraw/zinc/85/80/46/760858046.db2.gz LMPRIDUDNROGBW-VIFPVBQESA-N 1 1 194.278 1.827 10 0 ADAEMO CCc1cccc(N[C@H](C)CCO)[nH+]1 1165938097 760858476 /nfs/dbraw/zinc/85/84/76/760858476.db2.gz LMPRIDUDNROGBW-SECBINFHSA-N 1 1 194.278 1.827 10 0 ADAEMO CC(C)CC[N@@H+](C)CC1=NOCC1 1167100837 760862477 /nfs/dbraw/zinc/86/24/77/760862477.db2.gz OEAGJQLGDWYDDH-UHFFFAOYSA-N 1 1 184.283 1.741 10 0 ADAEMO C[C@H]1CCC[N@@H+](CC2=NOCC2)CC1 1167258499 760863090 /nfs/dbraw/zinc/86/30/90/760863090.db2.gz CAPFWFRZMWOEFY-JTQLQIEISA-N 1 1 196.294 1.885 10 0 ADAEMO C[C@@H]1CCC[N@@H+](CC2=NOCC2)CC1 1167258500 760863447 /nfs/dbraw/zinc/86/34/47/760863447.db2.gz CAPFWFRZMWOEFY-SNVBAGLBSA-N 1 1 196.294 1.885 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+]1CC1=NOCC1 1167478324 760864435 /nfs/dbraw/zinc/86/44/35/760864435.db2.gz NOCQTKZQHJYESP-BDAKNGLRSA-N 1 1 182.267 1.493 10 0 ADAEMO C[C@@H]1C[C@@H](C)[N@@H+](CC2=NOCC2)C1 1167478327 760864878 /nfs/dbraw/zinc/86/48/78/760864878.db2.gz NOCQTKZQHJYESP-RKDXNWHRSA-N 1 1 182.267 1.493 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@@H+](CC2=NOCC2)C1 1167478325 760864981 /nfs/dbraw/zinc/86/49/81/760864981.db2.gz NOCQTKZQHJYESP-DTWKUNHWSA-N 1 1 182.267 1.493 10 0 ADAEMO CC[C@@H]1CCC[N@@H+](CC2=NOCC2)C1 1167582950 760865016 /nfs/dbraw/zinc/86/50/16/760865016.db2.gz YJCOSBHDGIXBFF-SNVBAGLBSA-N 1 1 196.294 1.885 10 0 ADAEMO CC[C@H]1CCC[N@@H+](CC2=NOCC2)C1 1167582949 760865140 /nfs/dbraw/zinc/86/51/40/760865140.db2.gz YJCOSBHDGIXBFF-JTQLQIEISA-N 1 1 196.294 1.885 10 0 ADAEMO C[C@H]1C[C@H](C)[N@@H+](CC2=NOCC2)C1 1167478326 760865470 /nfs/dbraw/zinc/86/54/70/760865470.db2.gz NOCQTKZQHJYESP-IUCAKERBSA-N 1 1 182.267 1.493 10 0 ADAEMO FC1(F)C[C@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 1167892033 760876482 /nfs/dbraw/zinc/87/64/82/760876482.db2.gz RBKHLKWYOSPOGZ-ULAWRXDQSA-N 1 1 173.206 1.782 10 0 ADAEMO FC1(F)C[C@@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 1167892039 760876537 /nfs/dbraw/zinc/87/65/37/760876537.db2.gz RBKHLKWYOSPOGZ-YWIQKCBGSA-N 1 1 173.206 1.782 10 0 ADAEMO FC1(F)C[C@@H]1[NH2+][C@@H]1C[C@@H]2C[C@@H]2C1 1167892026 760877270 /nfs/dbraw/zinc/87/72/70/760877270.db2.gz RBKHLKWYOSPOGZ-OSMVPFSASA-N 1 1 173.206 1.782 10 0 ADAEMO FC1(F)C[C@H]1[NH2+][C@@H]1C[C@@H]2C[C@@H]2C1 1167892035 760877374 /nfs/dbraw/zinc/87/73/74/760877374.db2.gz RBKHLKWYOSPOGZ-VGRMVHKJSA-N 1 1 173.206 1.782 10 0 ADAEMO C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1C[C@@H]2C[C@@H]2C1 1167915078 760880642 /nfs/dbraw/zinc/88/06/42/760880642.db2.gz ZOEZLVNNYHPSJS-UKKRHICBSA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@@H]2C[C@@H]2C1 1167915077 760881175 /nfs/dbraw/zinc/88/11/75/760881175.db2.gz ZOEZLVNNYHPSJS-MMWGEVLESA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1C[C@@H]2C[C@@H]2C1 1167915083 760881559 /nfs/dbraw/zinc/88/15/59/760881559.db2.gz ZOEZLVNNYHPSJS-ZNSHCXBVSA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@@H]2C[C@@H]2C1 1167915074 760881671 /nfs/dbraw/zinc/88/16/71/760881671.db2.gz ZOEZLVNNYHPSJS-CHWFTXMASA-N 1 1 182.311 1.312 10 0 ADAEMO CO[C@H]1C[N@H+]([C@@H]2C[C@@H]3C[C@@H]3C2)C[C@@H]1F 1167926122 760882859 /nfs/dbraw/zinc/88/28/59/760882859.db2.gz BWFOULVTVKORMS-GEVSDDDWSA-N 1 1 199.269 1.454 10 0 ADAEMO CO[C@H]1C[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C[C@@H]1F 1167926128 760882889 /nfs/dbraw/zinc/88/28/89/760882889.db2.gz BWFOULVTVKORMS-SSRBZLIGSA-N 1 1 199.269 1.454 10 0 ADAEMO C[C@H]1CC[N@H+]1[C@@H]1C[C@@H]2C[C@@H]2C1 1167931879 760884122 /nfs/dbraw/zinc/88/41/22/760884122.db2.gz QIMZMIMHRYNODJ-AXTSPUMRSA-N 1 1 151.253 1.879 10 0 ADAEMO C[C@H]1C[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C[C@@H]1O 1167932189 760884576 /nfs/dbraw/zinc/88/45/76/760884576.db2.gz UKDZHSZFKYQVDA-HHKYUTTNSA-N 1 1 181.279 1.098 10 0 ADAEMO C[C@H]1CO[C@H](C)C[N@H+]1[C@@H]1C[C@@H]2C[C@@H]2C1 1167948479 760884970 /nfs/dbraw/zinc/88/49/70/760884970.db2.gz NGAINQKZBQBWCO-RNWYCLNJSA-N 1 1 195.306 1.894 10 0 ADAEMO C[C@@H]1CC[N@H+]1[C@H]1C[C@@H]2C[C@@H]2C1 1167931880 760885038 /nfs/dbraw/zinc/88/50/38/760885038.db2.gz QIMZMIMHRYNODJ-DOLQZWNJSA-N 1 1 151.253 1.879 10 0 ADAEMO C[C@H]1C[N@H+]([C@@H]2C[C@@H]3C[C@@H]3C2)C[C@@H]1O 1167932186 760885084 /nfs/dbraw/zinc/88/50/84/760885084.db2.gz 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/nfs/dbraw/zinc/71/31/79/761713179.db2.gz KLGJVIYFNJXGKW-VIFPVBQESA-N 1 1 195.241 1.235 10 0 ADAEMO FCC[N@H+]1CC[C@H](c2ncccn2)C1 1198164568 761713181 /nfs/dbraw/zinc/71/31/81/761713181.db2.gz KLGJVIYFNJXGKW-VIFPVBQESA-N 1 1 195.241 1.235 10 0 ADAEMO CCC[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 1198260337 761713331 /nfs/dbraw/zinc/71/33/31/761713331.db2.gz HZLMNHFSCQZDRZ-MNOVXSKESA-N 1 1 182.311 1.280 10 0 ADAEMO CCC[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 1198260337 761713338 /nfs/dbraw/zinc/71/33/38/761713338.db2.gz HZLMNHFSCQZDRZ-MNOVXSKESA-N 1 1 182.311 1.280 10 0 ADAEMO COC[C@@H](C)[N@@H+](C)CC1CCC1 1198414187 761713989 /nfs/dbraw/zinc/71/39/89/761713989.db2.gz GPDGJDQHYQSOLE-SECBINFHSA-N 1 1 171.284 1.753 10 0 ADAEMO CCC[C@H]1CCC[N@H+]1Cc1nnc[nH]1 1198428819 761714239 /nfs/dbraw/zinc/71/42/39/761714239.db2.gz JIUSFRLSWTXPPN-VIFPVBQESA-N 1 1 194.282 1.569 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](c2cnccn2)C1 1198155742 761714275 /nfs/dbraw/zinc/71/42/75/761714275.db2.gz ANBLZNQMFJEYLQ-JTQLQIEISA-N 1 1 191.278 1.674 10 0 ADAEMO Cc1cc(C[N@@H+]2CC[C@H]2CO)sn1 1198112046 761714309 /nfs/dbraw/zinc/71/43/09/761714309.db2.gz LJNQBJBATNQELC-QMMMGPOBSA-N 1 1 198.291 1.018 10 0 ADAEMO Cc1cc(C[N@H+]2CC[C@H]2CO)sn1 1198112046 761714312 /nfs/dbraw/zinc/71/43/12/761714312.db2.gz LJNQBJBATNQELC-QMMMGPOBSA-N 1 1 198.291 1.018 10 0 ADAEMO C[N@@H+](CCCF)CC1=NOCC1 1197930745 761715572 /nfs/dbraw/zinc/71/55/72/761715572.db2.gz SIWRTTMEUVUZHM-UHFFFAOYSA-N 1 1 174.219 1.054 10 0 ADAEMO CSCC[N@H+](C)Cc1ccn(C)n1 1198623112 761717024 /nfs/dbraw/zinc/71/70/24/761717024.db2.gz OFOAXHAQWZBOGP-UHFFFAOYSA-N 1 1 199.323 1.215 10 0 ADAEMO CSCC[N@@H+](C)Cc1ccn(C)n1 1198623112 761717029 /nfs/dbraw/zinc/71/70/29/761717029.db2.gz OFOAXHAQWZBOGP-UHFFFAOYSA-N 1 1 199.323 1.215 10 0 ADAEMO FCC[N@H+]1CCCC[C@]12CCOC2 1198769119 761722389 /nfs/dbraw/zinc/72/23/89/761722389.db2.gz KBIGDYMPUXHWRS-SNVBAGLBSA-N 1 1 187.258 1.601 10 0 ADAEMO C[C@@H](O)C[N@H+]1CC=CC12CCCCC2 1198799547 761723806 /nfs/dbraw/zinc/72/38/06/761723806.db2.gz BETBQRHSHMEIHD-LLVKDONJSA-N 1 1 195.306 1.942 10 0 ADAEMO FCC[N@H+]1CCCC[C@@]12CCOC2 1198769118 761723968 /nfs/dbraw/zinc/72/39/68/761723968.db2.gz KBIGDYMPUXHWRS-JTQLQIEISA-N 1 1 187.258 1.601 10 0 ADAEMO C[C@H](O)C[N@H+]1CC=CC12CCCCC2 1198799548 761724766 /nfs/dbraw/zinc/72/47/66/761724766.db2.gz BETBQRHSHMEIHD-NSHDSACASA-N 1 1 195.306 1.942 10 0 ADAEMO C[C@@H]1C[N@@H+](CCF)[C@H](C)CCO1 1198762099 761725480 /nfs/dbraw/zinc/72/54/80/761725480.db2.gz XHBJNXNSRPJPTQ-RKDXNWHRSA-N 1 1 175.247 1.455 10 0 ADAEMO C1=CC[C@H](C[N@H+]2C[C@@H]3C[C@H]2CO3)CC1 1201419407 761750129 /nfs/dbraw/zinc/75/01/29/761750129.db2.gz XMJYCQDTVODUDZ-SRVKXCTJSA-N 1 1 193.290 1.816 10 0 ADAEMO C[N@@H+](C[C@@H]1CC=CCC1)C1COC1 1201418769 761751829 /nfs/dbraw/zinc/75/18/29/761751829.db2.gz RKBNMSYZOGIIGX-SNVBAGLBSA-N 1 1 181.279 1.673 10 0 ADAEMO C[N@@H+](C[C@H]1CC=CCC1)C1COC1 1201418766 761754368 /nfs/dbraw/zinc/75/43/68/761754368.db2.gz RKBNMSYZOGIIGX-JTQLQIEISA-N 1 1 181.279 1.673 10 0 ADAEMO C1=CC[C@@H](C[N@H+]2C[C@@H]3C[C@H]2CO3)CC1 1201419408 761756104 /nfs/dbraw/zinc/75/61/04/761756104.db2.gz XMJYCQDTVODUDZ-WOPDTQHZSA-N 1 1 193.290 1.816 10 0 ADAEMO CN1C[C@@H]2C[C@H]1C[N@H+]2CC(C)(C)C 1201441606 761757944 /nfs/dbraw/zinc/75/79/44/761757944.db2.gz IAPRLCOURLVMMV-UWVGGRQHSA-N 1 1 182.311 1.421 10 0 ADAEMO C[N@@H+](CC(C)(C)C)C1(C)COC1 1201443694 761761542 /nfs/dbraw/zinc/76/15/42/761761542.db2.gz UEXLBFJBYHSQQU-UHFFFAOYSA-N 1 1 171.284 1.753 10 0 ADAEMO CC(C)(C)C[N@H+]1C[C@@H]2C[C@H](C1)O2 1201443368 761762228 /nfs/dbraw/zinc/76/22/28/761762228.db2.gz RXYQKFWADOOZPU-DTORHVGOSA-N 1 1 169.268 1.506 10 0 ADAEMO CC(C)C[N@H+]1CC[C@]12CCOC2 1201478673 761763990 /nfs/dbraw/zinc/76/39/90/761763990.db2.gz YAMYUZYHWHCLMU-SNVBAGLBSA-N 1 1 169.268 1.507 10 0 ADAEMO CC(C)C[N@H+]1CCCCC12COC2 1201477097 761764418 /nfs/dbraw/zinc/76/44/18/761764418.db2.gz QDBMFZBIGXWFGK-UHFFFAOYSA-N 1 1 183.295 1.897 10 0 ADAEMO CC(C)C[N@@H+](C)C1(C)COC1 1201478387 761766453 /nfs/dbraw/zinc/76/64/53/761766453.db2.gz AMULZUIYVRETHM-UHFFFAOYSA-N 1 1 157.257 1.363 10 0 ADAEMO CC(C)C[N@H+]1C[C@@H]2C[C@H](C1)O2 1201478963 761766720 /nfs/dbraw/zinc/76/67/20/761766720.db2.gz STSMBFKKVWINQV-DTORHVGOSA-N 1 1 155.241 1.116 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@]12CCOC2 1201478672 761767312 /nfs/dbraw/zinc/76/73/12/761767312.db2.gz YAMYUZYHWHCLMU-JTQLQIEISA-N 1 1 169.268 1.507 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@H](C)[C@](C)(O)C1 1201469585 761767549 /nfs/dbraw/zinc/76/75/49/761767549.db2.gz ZOJQUHLJGJCVMN-GHMZBOCLSA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@H]2CCO[C@H]2C1 1201467939 761768169 /nfs/dbraw/zinc/76/81/69/761768169.db2.gz BYSORRBVOFCJNR-MNOVXSKESA-N 1 1 183.295 1.753 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 1201464343 761768686 /nfs/dbraw/zinc/76/86/86/761768686.db2.gz ZOJQUHLJGJCVMN-MNOVXSKESA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@@H](C)C[N@@H+](C)C1(C)COC1 1201516203 761770455 /nfs/dbraw/zinc/77/04/55/761770455.db2.gz URWYNWWYUZNKCX-SECBINFHSA-N 1 1 171.284 1.753 10 0 ADAEMO CC[C@H](C)C[N@@H+](C)C1(C)COC1 1201516205 761772594 /nfs/dbraw/zinc/77/25/94/761772594.db2.gz URWYNWWYUZNKCX-VIFPVBQESA-N 1 1 171.284 1.753 10 0 ADAEMO CC[C@H](C)C[N@H+]1CC[C@@]12CCOC2 1201518013 761774702 /nfs/dbraw/zinc/77/47/02/761774702.db2.gz YJSWSACIPKDDNG-QWRGUYRKSA-N 1 1 183.295 1.897 10 0 ADAEMO CCC[C@@H](C)CN1CC([NH+](C)C)C1 1201538211 761774953 /nfs/dbraw/zinc/77/49/53/761774953.db2.gz BRTIXTVFGSUVSB-SNVBAGLBSA-N 1 1 184.327 1.668 10 0 ADAEMO CC[C@H](C)C[N@H+]1CC[C@]12CCOC2 1201518014 761775094 /nfs/dbraw/zinc/77/50/94/761775094.db2.gz YJSWSACIPKDDNG-WDEREUQCSA-N 1 1 183.295 1.897 10 0 ADAEMO CCC(CC)C[N@H+]1C[C@@H]2C[C@H](C1)O2 1201536289 761775371 /nfs/dbraw/zinc/77/53/71/761775371.db2.gz WKEBJOQTLBHOSX-PHIMTYICSA-N 1 1 183.295 1.896 10 0 ADAEMO CC[C@@H](C)C[N@H+]1CC[C@]12CCOC2 1201518009 761775716 /nfs/dbraw/zinc/77/57/16/761775716.db2.gz YJSWSACIPKDDNG-GHMZBOCLSA-N 1 1 183.295 1.897 10 0 ADAEMO CC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C 1201517327 761776472 /nfs/dbraw/zinc/77/64/72/761776472.db2.gz RBLQKDCMIGZDJN-VWYCJHECSA-N 1 1 182.311 1.421 10 0 ADAEMO CCC[C@H](C)CN1CC([NH+](C)C)C1 1201538210 761777070 /nfs/dbraw/zinc/77/70/70/761777070.db2.gz BRTIXTVFGSUVSB-JTQLQIEISA-N 1 1 184.327 1.668 10 0 ADAEMO CC[C@H](C)C[N@H+]1C[C@@H]2C[C@H](C1)O2 1201516402 761777529 /nfs/dbraw/zinc/77/75/29/761777529.db2.gz XRISXHJIXIIYIO-LPEHRKFASA-N 1 1 169.268 1.506 10 0 ADAEMO CC[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C 1201517326 761778541 /nfs/dbraw/zinc/77/85/41/761778541.db2.gz RBLQKDCMIGZDJN-DCAQKATOSA-N 1 1 182.311 1.421 10 0 ADAEMO CC[C@@H](C)C[N@H+]1CC[C@@]12CCOC2 1201518011 761778569 /nfs/dbraw/zinc/77/85/69/761778569.db2.gz YJSWSACIPKDDNG-MNOVXSKESA-N 1 1 183.295 1.897 10 0 ADAEMO CC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H](C1)O2 1201516401 761778596 /nfs/dbraw/zinc/77/85/96/761778596.db2.gz XRISXHJIXIIYIO-BBBLOLIVSA-N 1 1 169.268 1.506 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CO2 1201551796 761779859 /nfs/dbraw/zinc/77/98/59/761779859.db2.gz FGGSFDLXUGGTJO-DCAQKATOSA-N 1 1 183.295 1.896 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CCC12COC2 1201550543 761780264 /nfs/dbraw/zinc/78/02/64/761780264.db2.gz KGZJRJNATZLWDB-SNVBAGLBSA-N 1 1 183.295 1.897 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C 1201553411 761781520 /nfs/dbraw/zinc/78/15/20/761781520.db2.gz MCDMUVTXPWPPLY-WOPDTQHZSA-N 1 1 196.338 1.811 10 0 ADAEMO CCC[C@@H](C)C[N@@H+](C)C1COC1 1201550540 761781803 /nfs/dbraw/zinc/78/18/03/761781803.db2.gz KENNYINQXQBDRQ-SECBINFHSA-N 1 1 171.284 1.753 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@@H]2C[C@H](C1)O2 1201552145 761781872 /nfs/dbraw/zinc/78/18/72/761781872.db2.gz KCHXKYYOIXWULA-GARJFASQSA-N 1 1 183.295 1.896 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CO2 1201551798 761782121 /nfs/dbraw/zinc/78/21/21/761782121.db2.gz FGGSFDLXUGGTJO-VWYCJHECSA-N 1 1 183.295 1.896 10 0 ADAEMO CCC[C@H](C)C[N@H+]1CCC12COC2 1201550542 761782913 /nfs/dbraw/zinc/78/29/13/761782913.db2.gz KGZJRJNATZLWDB-JTQLQIEISA-N 1 1 183.295 1.897 10 0 ADAEMO CCC[C@H](C)C[N@@H+](C)C1COC1 1201550541 761784455 /nfs/dbraw/zinc/78/44/55/761784455.db2.gz KENNYINQXQBDRQ-VIFPVBQESA-N 1 1 171.284 1.753 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C 1201553410 761784962 /nfs/dbraw/zinc/78/49/62/761784962.db2.gz MCDMUVTXPWPPLY-SRVKXCTJSA-N 1 1 196.338 1.811 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H](C1)O2 1201552150 761785381 /nfs/dbraw/zinc/78/53/81/761785381.db2.gz KCHXKYYOIXWULA-MXWKQRLJSA-N 1 1 183.295 1.896 10 0 ADAEMO CC[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 1201573118 761787830 /nfs/dbraw/zinc/78/78/30/761787830.db2.gz IEFUUIQTFLROKL-BDAKNGLRSA-N 1 1 157.257 1.099 10 0 ADAEMO CC[N@H+]1CCC[C@H]1C(C)(C)OC 1201582741 761788617 /nfs/dbraw/zinc/78/86/17/761788617.db2.gz CIZXDHROUYRQJW-VIFPVBQESA-N 1 1 171.284 1.896 10 0 ADAEMO CC[N@H+]1CCCCC12COC2 1201582836 761790900 /nfs/dbraw/zinc/79/09/00/761790900.db2.gz IGQGENLFLIRZLL-UHFFFAOYSA-N 1 1 155.241 1.261 10 0 ADAEMO CC[N@H+]1CC[C@@H]2CCO[C@H]2C1 1201573322 761792418 /nfs/dbraw/zinc/79/24/18/761792418.db2.gz NLHSNRWDFJMTJU-BDAKNGLRSA-N 1 1 155.241 1.117 10 0 ADAEMO CC[N@H+]1C[C@H]2CC(F)(F)C[C@H]2C1 1201573591 761793785 /nfs/dbraw/zinc/79/37/85/761793785.db2.gz ZOAYZQXAANJYIZ-OCAPTIKFSA-N 1 1 175.222 1.983 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1C(C)(C)OC 1201582740 761793981 /nfs/dbraw/zinc/79/39/81/761793981.db2.gz CIZXDHROUYRQJW-SECBINFHSA-N 1 1 171.284 1.896 10 0 ADAEMO CC[N@H+]1CC[C@@H](C)[C@](C)(O)C1 1201573119 761794087 /nfs/dbraw/zinc/79/40/87/761794087.db2.gz IEFUUIQTFLROKL-RKDXNWHRSA-N 1 1 157.257 1.099 10 0 ADAEMO CC(C)CC[N@H+]1C[C@@H]2C[C@H](C1)O2 1201624234 761794998 /nfs/dbraw/zinc/79/49/98/761794998.db2.gz ORSCFJPIOSZNMR-AOOOYVTPSA-N 1 1 169.268 1.506 10 0 ADAEMO CC(C)CC[N@H+]1CC[C@@]12CCOC2 1201630680 761796743 /nfs/dbraw/zinc/79/67/43/761796743.db2.gz WWGPSAYBMXSUJS-NSHDSACASA-N 1 1 183.295 1.897 10 0 ADAEMO CC(C)CC[N@@H+](C)C1(C)COC1 1201624017 761798318 /nfs/dbraw/zinc/79/83/18/761798318.db2.gz KBUIMNOPPYKRTH-UHFFFAOYSA-N 1 1 171.284 1.753 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/nfs/dbraw/zinc/11/65/09/767116509.db2.gz DDQXWDDGUXAHAK-VIFPVBQESA-N 1 1 198.266 1.315 10 0 ADAEMO CCCC[C@@H](O)C[NH2+]Cc1ncco1 1252077071 767117729 /nfs/dbraw/zinc/11/77/29/767117729.db2.gz DDQXWDDGUXAHAK-SECBINFHSA-N 1 1 198.266 1.315 10 0 ADAEMO CCCC[C@@H](O)C[N@H+]1CC[C@H]1C 1252083718 767120927 /nfs/dbraw/zinc/12/09/27/767120927.db2.gz SJUTYJOIZVSMHH-NXEZZACHSA-N 1 1 171.284 1.632 10 0 ADAEMO CCCC[C@@H](O)C[N@H+]1CC[C@@H]1C 1252083720 767121054 /nfs/dbraw/zinc/12/10/54/767121054.db2.gz SJUTYJOIZVSMHH-VHSXEESVSA-N 1 1 171.284 1.632 10 0 ADAEMO CCCC[C@H](O)C[N@H+]1CC[C@@H]1C 1252083719 767124218 /nfs/dbraw/zinc/12/42/18/767124218.db2.gz SJUTYJOIZVSMHH-UWVGGRQHSA-N 1 1 171.284 1.632 10 0 ADAEMO CCCC[C@H](O)C[N@H+]1CC[C@H]1C 1252083721 767124385 /nfs/dbraw/zinc/12/43/85/767124385.db2.gz SJUTYJOIZVSMHH-ZJUUUORDSA-N 1 1 171.284 1.632 10 0 ADAEMO CC(C)(O)C[N@H+]1CC[C@H]2CCC[C@@H]2C1 1252349895 767125565 /nfs/dbraw/zinc/12/55/65/767125565.db2.gz IIVKVWBRVXGQCI-GHMZBOCLSA-N 1 1 197.322 1.879 10 0 ADAEMO CC(C)(O)C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1252349912 767125862 /nfs/dbraw/zinc/12/58/62/767125862.db2.gz IIVKVWBRVXGQCI-WDEREUQCSA-N 1 1 197.322 1.879 10 0 ADAEMO CCc1cccc(NCC(C)(C)O)[nH+]1 1252348861 767126515 /nfs/dbraw/zinc/12/65/15/767126515.db2.gz RBUSOOOQYMHULL-UHFFFAOYSA-N 1 1 194.278 1.827 10 0 ADAEMO CC(C)(O)C[N@H+]1CC[C@@H]2CCC[C@H]2C1 1252349910 767128451 /nfs/dbraw/zinc/12/84/51/767128451.db2.gz IIVKVWBRVXGQCI-QWRGUYRKSA-N 1 1 197.322 1.879 10 0 ADAEMO CC(C)(O)C[N@H+]1CC[C@H]2CCC[C@H]2C1 1252349909 767128631 /nfs/dbraw/zinc/12/86/31/767128631.db2.gz IIVKVWBRVXGQCI-MNOVXSKESA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CC[C@@H]2c3ccccc3N[C@@H]2C1 33832780 560088260 /nfs/dbraw/zinc/08/82/60/560088260.db2.gz ZYVJZJFILSIGPS-ZYHUDNBSSA-N 1 1 188.274 1.900 10 0 biogenic,in-vitro ADAEMO C[C@@H]1CC[C@@H]2[C@@H](CO)C[N@H+](C)C[C@@H]21 4098475 560195755 /nfs/dbraw/zinc/19/57/55/560195755.db2.gz CRVXJVHSLVEDRI-GWOFURMSSA-N 1 1 183.295 1.203 10 0 in-vitro ADAEMO C[N@H+]1CC[C@@H](Oc2cccnc2)C1 23700 1169055917 /nfs/dbraw/zinc/05/59/17/1169055917.db2.gz IQCQHGQPQPBWLI-SNVBAGLBSA-N 1 1 178.235 1.165 10 0 ADAEMO C[N@@H+](CC(C)(C)O)C(C)(C)C 17403706 1169057046 /nfs/dbraw/zinc/05/70/46/1169057046.db2.gz MWANTDBLPTXKJS-UHFFFAOYSA-N 1 1 159.273 1.488 10 0 ADAEMO C[N@H+](C1CCOCC1)C1CC1 17764875 1169058488 /nfs/dbraw/zinc/05/84/88/1169058488.db2.gz WXPPFXVNSPDZIU-UHFFFAOYSA-N 1 1 155.241 1.260 10 0 ADAEMO CCCC[N@@H+](C)CC 32155243 1169065546 /nfs/dbraw/zinc/06/55/46/1169065546.db2.gz WOLFCKKMHUVEPN-UHFFFAOYSA-N 1 1 115.220 1.738 10 0 ADAEMO CCc1[nH]c2cc3c(cc2[nH+]1)OCO3 31944007 1169066026 /nfs/dbraw/zinc/06/60/26/1169066026.db2.gz VCXTWCUPDFFGJS-UHFFFAOYSA-N 1 1 190.202 1.854 10 0 ADAEMO CCC(CC)[N@@H+](C)CCCO 36789532 1169076620 /nfs/dbraw/zinc/07/66/20/1169076620.db2.gz NCTSNRSTCUOWNO-UHFFFAOYSA-N 1 1 159.273 1.489 10 0 ADAEMO CC[C@H]1CCC[N@H+]1C[C@@H](C)C(=O)OC 37914332 1169077354 /nfs/dbraw/zinc/07/73/54/1169077354.db2.gz PMLKOBJJFRXEES-ZJUUUORDSA-N 1 1 199.294 1.670 10 0 ADAEMO CC[C@H](C)[NH2+]C1(C(=O)OC)CCCC1 38067009 1169077592 /nfs/dbraw/zinc/07/75/92/1169077592.db2.gz JPZMCULUNOXZTD-VIFPVBQESA-N 1 1 199.294 1.860 10 0 ADAEMO c1coc(CCNC2CC[NH2+]CC2)c1 38040850 1169077615 /nfs/dbraw/zinc/07/76/15/1169077615.db2.gz SNGQWMMSUMNDJP-UHFFFAOYSA-N 1 1 194.278 1.164 10 0 ADAEMO CCOC(=O)C(C)(C)[NH2+][C@H](C)CC 38067412 1169077693 /nfs/dbraw/zinc/07/76/93/1169077693.db2.gz XAXBIRKFECWFDX-MRVPVSSYSA-N 1 1 187.283 1.716 10 0 ADAEMO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)CC 38067911 1169077898 /nfs/dbraw/zinc/07/78/98/1169077898.db2.gz GEKQWDWCLRYIOI-DTWKUNHWSA-N 1 1 187.283 1.716 10 0 ADAEMO CC[C@H]([NH3+])CN(C)CC1CC1 37925739 1169078116 /nfs/dbraw/zinc/07/81/16/1169078116.db2.gz MURPWTJAXCVJPV-VIFPVBQESA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@H](N)C[N@H+](C)CC1CC1 37925739 1169078127 /nfs/dbraw/zinc/07/81/27/1169078127.db2.gz MURPWTJAXCVJPV-VIFPVBQESA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@H](N)C[N@@H+](C)CC1CC1 37925739 1169078134 /nfs/dbraw/zinc/07/81/34/1169078134.db2.gz MURPWTJAXCVJPV-VIFPVBQESA-N 1 1 156.273 1.066 10 0 ADAEMO CC1CCC([N@H+]2CCCNCC2)CC1 38086850 1169078228 /nfs/dbraw/zinc/07/82/28/1169078228.db2.gz WYSWTTLJLCQZNF-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO CC1CCC(N2CCC[NH2+]CC2)CC1 38086850 1169078236 /nfs/dbraw/zinc/07/82/36/1169078236.db2.gz WYSWTTLJLCQZNF-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]([NH2+][C@H](C)CC)C(=O)OC 38067230 1169078361 /nfs/dbraw/zinc/07/83/61/1169078361.db2.gz UVHTYOLJOHAWCP-SFYZADRCSA-N 1 1 173.256 1.326 10 0 ADAEMO CC[C@@H](C)[NH2+][C@H](CC)C(=O)OC 38067232 1169078671 /nfs/dbraw/zinc/07/86/71/1169078671.db2.gz UVHTYOLJOHAWCP-HTQZYQBOSA-N 1 1 173.256 1.326 10 0 ADAEMO CC[C@H](C)[NH2+][C@H](CC)C(=O)OC 38067233 1169078846 /nfs/dbraw/zinc/07/88/46/1169078846.db2.gz UVHTYOLJOHAWCP-JGVFFNPUSA-N 1 1 173.256 1.326 10 0 ADAEMO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)CC 38067909 1169079247 /nfs/dbraw/zinc/07/92/47/1169079247.db2.gz GEKQWDWCLRYIOI-IUCAKERBSA-N 1 1 187.283 1.716 10 0 ADAEMO CC[C@H](C)[NH2+][C@@H](CC)C(=O)OC 38067231 1169079456 /nfs/dbraw/zinc/07/94/56/1169079456.db2.gz UVHTYOLJOHAWCP-YUMQZZPRSA-N 1 1 173.256 1.326 10 0 ADAEMO CCC[C@H]([NH2+][C@H](C)CC)C(=O)OC 38067236 1169079736 /nfs/dbraw/zinc/07/97/36/1169079736.db2.gz UUSYILDLACRLLC-BDAKNGLRSA-N 1 1 187.283 1.716 10 0 ADAEMO CCC[C@H]([NH2+][C@@H](C)CC)C(=O)OC 38067234 1169080088 /nfs/dbraw/zinc/08/00/88/1169080088.db2.gz UUSYILDLACRLLC-IUCAKERBSA-N 1 1 187.283 1.716 10 0 ADAEMO CCOC(=O)[C@H](CC)[NH2+][C@H](C)CC 38067908 1169080448 /nfs/dbraw/zinc/08/04/48/1169080448.db2.gz GEKQWDWCLRYIOI-BDAKNGLRSA-N 1 1 187.283 1.716 10 0 ADAEMO CC[C@@H](C)[NH2+]C1(C(=O)OC)CCCC1 38067008 1169080762 /nfs/dbraw/zinc/08/07/62/1169080762.db2.gz JPZMCULUNOXZTD-SECBINFHSA-N 1 1 199.294 1.860 10 0 ADAEMO CCOC(=O)C(C)(C)[NH2+][C@@H](C)CC 38067413 1169080720 /nfs/dbraw/zinc/08/07/20/1169080720.db2.gz XAXBIRKFECWFDX-QMMMGPOBSA-N 1 1 187.283 1.716 10 0 ADAEMO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)CC 38067910 1169080846 /nfs/dbraw/zinc/08/08/46/1169080846.db2.gz GEKQWDWCLRYIOI-RKDXNWHRSA-N 1 1 187.283 1.716 10 0 ADAEMO CC[C@@H]1CCC[N@H+]1C[C@@H](C)C(=O)OC 37914331 1169081083 /nfs/dbraw/zinc/08/10/83/1169081083.db2.gz PMLKOBJJFRXEES-NXEZZACHSA-N 1 1 199.294 1.670 10 0 ADAEMO COC(=O)CCC1=CC[N@@H+](C)CC1 38761054 1169083133 /nfs/dbraw/zinc/08/31/33/1169083133.db2.gz RNXHFJHJZJLBOQ-UHFFFAOYSA-N 1 1 183.251 1.202 10 0 ADAEMO CCOC(=O)CC1=CC[N@@H+](C)CC1 39263418 1169088005 /nfs/dbraw/zinc/08/80/05/1169088005.db2.gz AIXZCAZHXBHDQB-UHFFFAOYSA-N 1 1 183.251 1.202 10 0 ADAEMO C[C@H]1CCCC[N@H+]1CCN(C)C 41362451 1169089041 /nfs/dbraw/zinc/08/90/41/1169089041.db2.gz SIAJSFQTLAYVMM-JTQLQIEISA-N 1 1 170.300 1.422 10 0 ADAEMO CN(C)c1ccc2nc(C[NH3+])[nH]c2c1 40539086 1169089297 /nfs/dbraw/zinc/08/92/97/1169089297.db2.gz FYUPMQRIXUPOSK-UHFFFAOYSA-N 1 1 190.250 1.088 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+](CCN(C)C)C1 41362836 1169089360 /nfs/dbraw/zinc/08/93/60/1169089360.db2.gz QRESMCUARMLTKC-PHIMTYICSA-N 1 1 184.327 1.526 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1CCN(C)C 41362449 1169089424 /nfs/dbraw/zinc/08/94/24/1169089424.db2.gz SIAJSFQTLAYVMM-SNVBAGLBSA-N 1 1 170.300 1.422 10 0 ADAEMO Cc1ccc[nH+]c1NC1CCOCC1 51040945 1169091908 /nfs/dbraw/zinc/09/19/08/1169091908.db2.gz OXHQOOOIWFJUPV-UHFFFAOYSA-N 1 1 192.262 1.981 10 0 ADAEMO OCCCCC[N@H+]1C[C@H]2CC[C@@H]1C2 51019977 1169092392 /nfs/dbraw/zinc/09/23/92/1169092392.db2.gz CHKLZFQYHPEDMC-WDEREUQCSA-N 1 1 183.295 1.633 10 0 ADAEMO C[N@@H+](CCCCCO)C1CC1 51019811 1169092663 /nfs/dbraw/zinc/09/26/63/1169092663.db2.gz UUBLNKAQMOYENX-UHFFFAOYSA-N 1 1 157.257 1.243 10 0 ADAEMO CCCC[C@H](C)[N@H+]1CC[C@H](N)C1 50889000 1169093044 /nfs/dbraw/zinc/09/30/44/1169093044.db2.gz MLQNCQUPYZSLBV-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCCC[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54603034 1169094974 /nfs/dbraw/zinc/09/49/74/1169094974.db2.gz RSUOJNZSEFAVJI-AOOOYVTPSA-N 1 1 181.279 1.982 10 0 ADAEMO c1ccc(Cc2[nH]cc[nH+]2)nc1 59979575 1169098275 /nfs/dbraw/zinc/09/82/75/1169098275.db2.gz SQEUYNQLUMQWKJ-UHFFFAOYSA-N 1 1 159.192 1.396 10 0 ADAEMO COC(=O)CC[N@@H+](C)CC1CCC1 61479399 1169098817 /nfs/dbraw/zinc/09/88/17/1169098817.db2.gz AQQWVSDHOSVRKF-UHFFFAOYSA-N 1 1 185.267 1.281 10 0 ADAEMO CC[C@H](N)C[N@@H+](C)CC1CCC1 61456068 1169100433 /nfs/dbraw/zinc/10/04/33/1169100433.db2.gz NIPFCTGGNBTBST-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H]([NH3+])CN(C)CC1CCC1 61456068 1169100436 /nfs/dbraw/zinc/10/04/36/1169100436.db2.gz NIPFCTGGNBTBST-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO COC(=O)CCC[N@@H+](C)CC1CCC1 61479440 1169100608 /nfs/dbraw/zinc/10/06/08/1169100608.db2.gz HJDODAIEMXRZSU-UHFFFAOYSA-N 1 1 199.294 1.672 10 0 ADAEMO C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2CN)C1 70567732 1169101572 /nfs/dbraw/zinc/10/15/72/1169101572.db2.gz AFNIUYWADNKVKU-IJLUTSLNSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@H+]1CCC[C@H](C[NH+]2CCCC2)C1 79553325 1169102519 /nfs/dbraw/zinc/10/25/19/1169102519.db2.gz FEJFAOFAZQWLNH-NSHDSACASA-N 1 1 182.311 1.424 10 0 ADAEMO CN1CCC[C@H](C[NH+]2CCCC2)C1 79553325 1169102528 /nfs/dbraw/zinc/10/25/28/1169102528.db2.gz FEJFAOFAZQWLNH-NSHDSACASA-N 1 1 182.311 1.424 10 0 ADAEMO C[N@H+]1CCC[C@@H](C[NH+]2CCCC2)C1 79553328 1169103847 /nfs/dbraw/zinc/10/38/47/1169103847.db2.gz FEJFAOFAZQWLNH-LLVKDONJSA-N 1 1 182.311 1.424 10 0 ADAEMO CN1CCC[C@@H](C[NH+]2CCCC2)C1 79553328 1169103849 /nfs/dbraw/zinc/10/38/49/1169103849.db2.gz FEJFAOFAZQWLNH-LLVKDONJSA-N 1 1 182.311 1.424 10 0 ADAEMO C=CC[N@H+](CC)C(C)C 79091526 1169105023 /nfs/dbraw/zinc/10/50/23/1169105023.db2.gz FUUFQLJQGPHRIP-UHFFFAOYSA-N 1 1 127.231 1.903 10 0 ADAEMO CCCCCCN1CC[C@@H]([NH3+])[C@H]1C 81216350 1169107763 /nfs/dbraw/zinc/10/77/63/1169107763.db2.gz OGIQZLBPKRNYDK-GHMZBOCLSA-N 1 1 184.327 1.988 10 0 ADAEMO CCCCCC[N@@H+]1CC[C@@H](N)[C@H]1C 81216350 1169107767 /nfs/dbraw/zinc/10/77/67/1169107767.db2.gz OGIQZLBPKRNYDK-GHMZBOCLSA-N 1 1 184.327 1.988 10 0 ADAEMO CCCCCC[N@H+]1CC[C@@H](N)[C@H]1C 81216350 1169107771 /nfs/dbraw/zinc/10/77/71/1169107771.db2.gz OGIQZLBPKRNYDK-GHMZBOCLSA-N 1 1 184.327 1.988 10 0 ADAEMO CCN1CCC[N@H+]2CCC[C@@H]2C1 82269899 1169109282 /nfs/dbraw/zinc/10/92/82/1169109282.db2.gz VTCYRPUIIZCTCF-SNVBAGLBSA-N 1 1 168.284 1.176 10 0 ADAEMO CCCN1CCC[N@H+]2CCC[C@@H]2C1 82269916 1169110202 /nfs/dbraw/zinc/11/02/02/1169110202.db2.gz MCERTJNYLVPEKI-LLVKDONJSA-N 1 1 182.311 1.567 10 0 ADAEMO CCCC[C@@H]([NH3+])c1nnc(C)o1 83339970 1169112182 /nfs/dbraw/zinc/11/21/82/1169112182.db2.gz YMYKYCZCXPNIOL-SSDOTTSWSA-N 1 1 169.228 1.568 10 0 ADAEMO CCC[C@@H]([NH3+])c1nnc(CC)o1 83339968 1169112638 /nfs/dbraw/zinc/11/26/38/1169112638.db2.gz LCIMQWVUZSRTNN-ZCFIWIBFSA-N 1 1 169.228 1.432 10 0 ADAEMO CCCC[C@H]([NH3+])c1nnc(CC)o1 83340847 1169112893 /nfs/dbraw/zinc/11/28/93/1169112893.db2.gz NBFXZHSZCPSDTB-ZETCQYMHSA-N 1 1 183.255 1.822 10 0 ADAEMO Cc1nnc([C@@H]([NH3+])C2CCCC2)o1 83340593 1169112908 /nfs/dbraw/zinc/11/29/08/1169112908.db2.gz HASCMBRWSMDCFX-QMMMGPOBSA-N 1 1 181.239 1.568 10 0 ADAEMO CCc1nnc([C@@H]([NH3+])[C@@H](C)CC)o1 83340849 1169113078 /nfs/dbraw/zinc/11/30/78/1169113078.db2.gz QNWKPRCUUCJEBD-XPUUQOCRSA-N 1 1 183.255 1.678 10 0 ADAEMO CCc1nnc([C@H]([NH3+])C(C)(C)C)o1 83340851 1169113175 /nfs/dbraw/zinc/11/31/75/1169113175.db2.gz WLVITPWHVYQAOX-ZETCQYMHSA-N 1 1 183.255 1.678 10 0 ADAEMO CCc1nnc([C@@H]([NH3+])C2CCCC2)o1 83342343 1169113680 /nfs/dbraw/zinc/11/36/80/1169113680.db2.gz METFVWLXQRQFEP-VIFPVBQESA-N 1 1 195.266 1.822 10 0 ADAEMO CCC[C@@H]([NH3+])c1nnc(C2CC2)o1 83340600 1169113701 /nfs/dbraw/zinc/11/37/01/1169113701.db2.gz UBDLZCFYJLSBQI-SSDOTTSWSA-N 1 1 181.239 1.747 10 0 ADAEMO Cc1nnc([C@@H]([NH3+])C2CCCCC2)o1 83342349 1169114033 /nfs/dbraw/zinc/11/40/33/1169114033.db2.gz ONWUGJTVNHSLCO-VIFPVBQESA-N 1 1 195.266 1.958 10 0 ADAEMO CC(C)[C@H]([NH3+])c1nnc(C2CCC2)o1 83342369 1169114099 /nfs/dbraw/zinc/11/40/99/1169114099.db2.gz CHHUWZUNXNGECG-QMMMGPOBSA-N 1 1 195.266 1.993 10 0 ADAEMO CC[C@H](C)[C@H]([NH3+])c1nnc(C)o1 83339971 1169114109 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/nfs/dbraw/zinc/16/73/08/1169167308.db2.gz JMPDGSVPYAGWHI-ZETCQYMHSA-N 1 1 198.232 1.608 10 0 ADAEMO C[C@H](N)C[N@@H+](C)CCCC(F)(F)F 124260228 1169167310 /nfs/dbraw/zinc/16/73/10/1169167310.db2.gz JMPDGSVPYAGWHI-ZETCQYMHSA-N 1 1 198.232 1.608 10 0 ADAEMO C[C@H](O)C[N@@H+](C)CCCC(F)(F)F 124174739 1169168303 /nfs/dbraw/zinc/16/83/03/1169168303.db2.gz LRCWMBDJEISXKD-ZETCQYMHSA-N 1 1 199.216 1.642 10 0 ADAEMO O[C@@H]1CC[N@@H+](CCCC(F)(F)F)C1 124176834 1169168386 /nfs/dbraw/zinc/16/83/86/1169168386.db2.gz VYLSUKOYKWVYET-SSDOTTSWSA-N 1 1 197.200 1.396 10 0 ADAEMO Cc1cc[nH+]c(NC(C)(C)CCO)c1 123668531 1169168429 /nfs/dbraw/zinc/16/84/29/1169168429.db2.gz JOSHDOFJBKBSOZ-UHFFFAOYSA-N 1 1 194.278 1.963 10 0 ADAEMO CC[N@@H+](CCO)CCCC(F)(F)F 124171977 1169168524 /nfs/dbraw/zinc/16/85/24/1169168524.db2.gz NBXTZWIAYROHDN-UHFFFAOYSA-N 1 1 199.216 1.643 10 0 ADAEMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](N)C(C)(C)C1 723105638 673949139 /nfs/dbraw/zinc/94/91/39/673949139.db2.gz GLWPFGHAQWEREI-VWYCJHECSA-N 1 1 196.338 1.702 10 0 ADAEMO CC[C@@H]1C[C@H]1CN1C[C@H]([NH3+])C(C)(C)C1 723105638 673949148 /nfs/dbraw/zinc/94/91/48/673949148.db2.gz GLWPFGHAQWEREI-VWYCJHECSA-N 1 1 196.338 1.702 10 0 ADAEMO CC(C)[C@@H]1CC[N@H+]1Cc1cncnc1 335952729 673949363 /nfs/dbraw/zinc/94/93/63/673949363.db2.gz HGZGODZXQKHPHC-NSHDSACASA-N 1 1 191.278 1.707 10 0 ADAEMO C[C@@H]1C[N@H+](C)C[C@H]1NC/C=C\Cl 722256376 673949436 /nfs/dbraw/zinc/94/94/36/673949436.db2.gz UNAWCABSVLYETB-UREXNXCXSA-N 1 1 188.702 1.279 10 0 ADAEMO C[C@@H]1C[N@@H+](C)C[C@H]1NC/C=C\Cl 722256376 673949438 /nfs/dbraw/zinc/94/94/38/673949438.db2.gz UNAWCABSVLYETB-UREXNXCXSA-N 1 1 188.702 1.279 10 0 ADAEMO C[C@@H]1C[N@H+](C)C[C@H]1NC/C=C/Cl 722256374 673949460 /nfs/dbraw/zinc/94/94/60/673949460.db2.gz UNAWCABSVLYETB-HUGTUPKYSA-N 1 1 188.702 1.279 10 0 ADAEMO C[C@@H]1C[N@@H+](C)C[C@H]1NC/C=C/Cl 722256374 673949463 /nfs/dbraw/zinc/94/94/63/673949463.db2.gz UNAWCABSVLYETB-HUGTUPKYSA-N 1 1 188.702 1.279 10 0 ADAEMO C[C@H](CO)[N@@H+](C)CCCC(F)(F)F 124666993 1169169390 /nfs/dbraw/zinc/16/93/90/1169169390.db2.gz KGQXFCILYIOBEW-SSDOTTSWSA-N 1 1 199.216 1.642 10 0 ADAEMO C[C@@H]1C[N@H+](C)C[C@@H]1NC/C=C/Cl 722256373 673949550 /nfs/dbraw/zinc/94/95/50/673949550.db2.gz UNAWCABSVLYETB-BKIAHZASSA-N 1 1 188.702 1.279 10 0 ADAEMO C[C@@H]1C[N@@H+](C)C[C@@H]1NC/C=C/Cl 722256373 673949552 /nfs/dbraw/zinc/94/95/52/673949552.db2.gz UNAWCABSVLYETB-BKIAHZASSA-N 1 1 188.702 1.279 10 0 ADAEMO CC(C)[C@H](C)[NH2+]Cc1c[nH]cn1 54763949 673949558 /nfs/dbraw/zinc/94/95/58/673949558.db2.gz NETOXABLVRKLQO-QMMMGPOBSA-N 1 1 167.256 1.544 10 0 ADAEMO C[C@@H]1C[N@H+](C)C[C@@H]1NC/C=C\Cl 722256375 673949572 /nfs/dbraw/zinc/94/95/72/673949572.db2.gz UNAWCABSVLYETB-NESOUNQCSA-N 1 1 188.702 1.279 10 0 ADAEMO C[C@@H]1C[N@@H+](C)C[C@@H]1NC/C=C\Cl 722256375 673949573 /nfs/dbraw/zinc/94/95/73/673949573.db2.gz UNAWCABSVLYETB-NESOUNQCSA-N 1 1 188.702 1.279 10 0 ADAEMO C1=CCC(CC[NH2+]Cc2c[nH]cn2)C1 724184536 673949819 /nfs/dbraw/zinc/94/98/19/673949819.db2.gz KCPGZUHZGVGYJB-UHFFFAOYSA-N 1 1 191.278 1.856 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)CCCC(F)(F)F 124666782 1169169912 /nfs/dbraw/zinc/16/99/12/1169169912.db2.gz KGQXFCILYIOBEW-ZETCQYMHSA-N 1 1 199.216 1.642 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@@H+](Cc2cncnc2)C1 336484879 673950043 /nfs/dbraw/zinc/95/00/43/673950043.db2.gz XHEVWKOSEDLIHN-VHSXEESVSA-N 1 1 191.278 1.707 10 0 ADAEMO CCC[C@H]1CCCC[N@H+]1C[C@@H](C)N 124970788 1169170018 /nfs/dbraw/zinc/17/00/18/1169170018.db2.gz AVBFWOFWMZFLGD-MNOVXSKESA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H]1CCCCN1C[C@@H](C)[NH3+] 124970788 1169170024 /nfs/dbraw/zinc/17/00/24/1169170024.db2.gz AVBFWOFWMZFLGD-MNOVXSKESA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2cncnc2)[C@@H]1C 336434161 673950033 /nfs/dbraw/zinc/95/00/33/673950033.db2.gz KIPRKHOCJDDEEL-VHSXEESVSA-N 1 1 191.278 1.707 10 0 ADAEMO C[C@H]1C[C@H](C)[N@@H+](Cc2cncnc2)C1 336484878 673950076 /nfs/dbraw/zinc/95/00/76/673950076.db2.gz XHEVWKOSEDLIHN-UWVGGRQHSA-N 1 1 191.278 1.707 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+]1Cc1cncnc1 336484880 673950117 /nfs/dbraw/zinc/95/01/17/673950117.db2.gz XHEVWKOSEDLIHN-ZJUUUORDSA-N 1 1 191.278 1.707 10 0 ADAEMO C[N@@H+](CCO)CCc1cccc(F)c1 162891368 673950166 /nfs/dbraw/zinc/95/01/66/673950166.db2.gz MRGWISMRBJEYQR-UHFFFAOYSA-N 1 1 197.253 1.292 10 0 ADAEMO C[C@H]1[C@H](C)CC[N@H+]1Cc1cncnc1 336434162 673950170 /nfs/dbraw/zinc/95/01/70/673950170.db2.gz KIPRKHOCJDDEEL-ZJUUUORDSA-N 1 1 191.278 1.707 10 0 ADAEMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](C)N 124970633 1169170202 /nfs/dbraw/zinc/17/02/02/1169170202.db2.gz AVBFWOFWMZFLGD-GHMZBOCLSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@H]1CCCCN1C[C@@H](C)[NH3+] 124970633 1169170211 /nfs/dbraw/zinc/17/02/11/1169170211.db2.gz AVBFWOFWMZFLGD-GHMZBOCLSA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@H]1N[C@H](C)[C@@H]1CC1(C)C 925783183 673950814 /nfs/dbraw/zinc/95/08/14/673950814.db2.gz ITUIAYMIYGJVFL-CHWFTXMASA-N 1 1 196.338 1.619 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@H]1N[C@H](C)[C@H]1CC1(C)C 925783185 673950839 /nfs/dbraw/zinc/95/08/39/673950839.db2.gz ITUIAYMIYGJVFL-GWOFURMSSA-N 1 1 196.338 1.619 10 0 ADAEMO C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC1(C)C 925783187 673950917 /nfs/dbraw/zinc/95/09/17/673950917.db2.gz ITUIAYMIYGJVFL-LMLFDSFASA-N 1 1 196.338 1.619 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@H]1N[C@H](C)C(C)(C)C 925785072 673950936 /nfs/dbraw/zinc/95/09/36/673950936.db2.gz UXWIGPDLYPDHLZ-OPRDCNLKSA-N 1 1 184.327 1.619 10 0 ADAEMO C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C 925785052 673951007 /nfs/dbraw/zinc/95/10/07/673951007.db2.gz UXWIGPDLYPDHLZ-KXUCPTDWSA-N 1 1 184.327 1.619 10 0 ADAEMO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@@H]1C 925784350 673951117 /nfs/dbraw/zinc/95/11/17/673951117.db2.gz MTTLTGUGJYKISE-MTVMDMGHSA-N 1 1 196.338 1.619 10 0 ADAEMO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[C@H]1C 925784348 673951122 /nfs/dbraw/zinc/95/11/22/673951122.db2.gz MTTLTGUGJYKISE-LDMBFOFVSA-N 1 1 196.338 1.619 10 0 ADAEMO C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC1(C)C 925783188 673951127 /nfs/dbraw/zinc/95/11/27/673951127.db2.gz ITUIAYMIYGJVFL-VPOLOUISSA-N 1 1 196.338 1.619 10 0 ADAEMO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@H]1C 925784351 673951143 /nfs/dbraw/zinc/95/11/43/673951143.db2.gz MTTLTGUGJYKISE-PZWNZHSQSA-N 1 1 196.338 1.619 10 0 ADAEMO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[C@@H]1C 925784346 673951146 /nfs/dbraw/zinc/95/11/46/673951146.db2.gz MTTLTGUGJYKISE-KZZRWZIVSA-N 1 1 196.338 1.619 10 0 ADAEMO CC[C@]1(O)CCC[N@@H+](CCC(C)=O)C1 710233740 673952422 /nfs/dbraw/zinc/95/24/22/673952422.db2.gz QGYVHJGODIVGMA-NSHDSACASA-N 1 1 199.294 1.202 10 0 ADAEMO CC(C)(CCO)Nc1ccc(N)c[nH+]1 125595295 1169173065 /nfs/dbraw/zinc/17/30/65/1169173065.db2.gz HWGJGSUJMLQCHX-UHFFFAOYSA-N 1 1 195.266 1.237 10 0 ADAEMO COC(=O)C(C)(C)[NH2+][C@@H](C)CC1CC1 125738702 1169173206 /nfs/dbraw/zinc/17/32/06/1169173206.db2.gz RYCDNDDTVHQHJQ-QMMMGPOBSA-N 1 1 199.294 1.716 10 0 ADAEMO COC(=O)C(C)(C)[NH2+][C@H](C)CC1CC1 125738954 1169173251 /nfs/dbraw/zinc/17/32/51/1169173251.db2.gz RYCDNDDTVHQHJQ-MRVPVSSYSA-N 1 1 199.294 1.716 10 0 ADAEMO Cc1ccc(NC(C)(C)CCO)[nH+]c1 125792316 1169173454 /nfs/dbraw/zinc/17/34/54/1169173454.db2.gz VVGJCESXTGVVTE-UHFFFAOYSA-N 1 1 194.278 1.963 10 0 ADAEMO CC(C)(CCO)Nc1ccc(N)[nH+]c1 125591686 1169173809 /nfs/dbraw/zinc/17/38/09/1169173809.db2.gz ZWBAVWMMRIDEAS-UHFFFAOYSA-N 1 1 195.266 1.237 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2ccoc2)CC[C@H]1O 253173168 673953883 /nfs/dbraw/zinc/95/38/83/673953883.db2.gz BZQQSSSUZZTATO-GXSJLCMTSA-N 1 1 195.262 1.482 10 0 ADAEMO CCC[C@@H](O)CNc1ccc(C)c[nH+]1 127188791 1169175072 /nfs/dbraw/zinc/17/50/72/1169175072.db2.gz KIMRSIDGTHXIBO-SNVBAGLBSA-N 1 1 194.278 1.963 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC[C@](O)(C(F)F)C1 334704051 673955287 /nfs/dbraw/zinc/95/52/87/673955287.db2.gz UQHIMDLPYSYUAN-VXNVDRBHSA-N 1 1 193.237 1.487 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 334704046 673955367 /nfs/dbraw/zinc/95/53/67/673955367.db2.gz UQHIMDLPYSYUAN-APPZFPTMSA-N 1 1 193.237 1.487 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@](O)(C(F)F)C1 334704049 673955530 /nfs/dbraw/zinc/95/55/30/673955530.db2.gz UQHIMDLPYSYUAN-IONNQARKSA-N 1 1 193.237 1.487 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 334704048 673955541 /nfs/dbraw/zinc/95/55/41/673955541.db2.gz UQHIMDLPYSYUAN-CBAPKCEASA-N 1 1 193.237 1.487 10 0 ADAEMO CCC[C@H](O)CNc1ccc(C)c[nH+]1 127188586 1169176455 /nfs/dbraw/zinc/17/64/55/1169176455.db2.gz KIMRSIDGTHXIBO-JTQLQIEISA-N 1 1 194.278 1.963 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCOC(C)(C)C1 307541253 673956378 /nfs/dbraw/zinc/95/63/78/673956378.db2.gz AOTMPKPMYUNPNG-VIFPVBQESA-N 1 1 183.295 1.896 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCOC(C)(C)C1 307541251 673956415 /nfs/dbraw/zinc/95/64/15/673956415.db2.gz AOTMPKPMYUNPNG-SECBINFHSA-N 1 1 183.295 1.896 10 0 ADAEMO CC1(N)C[NH+](C2CCCCCC2)C1 128556310 1169177332 /nfs/dbraw/zinc/17/73/32/1169177332.db2.gz NACAHJVBROQZRW-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CC(C)CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 128868555 1169177880 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ADTANQQTAIEMCN-VHSXEESVSA-N 1 1 191.278 1.586 10 0 ADAEMO C[C@@H]1[C@H](Nc2nccs2)CC[N@H+]1C 719569725 674065208 /nfs/dbraw/zinc/06/52/08/674065208.db2.gz LOEBXUSSGMPNIX-HTQZYQBOSA-N 1 1 197.307 1.648 10 0 ADAEMO C[C@H]1[C@@H](Nc2ccccn2)CC[N@H+]1C 719568122 674065219 /nfs/dbraw/zinc/06/52/19/674065219.db2.gz ADTANQQTAIEMCN-UWVGGRQHSA-N 1 1 191.278 1.586 10 0 ADAEMO C[C@H]1[C@@H](Nc2nccs2)CC[N@H+]1C 719569732 674065221 /nfs/dbraw/zinc/06/52/21/674065221.db2.gz LOEBXUSSGMPNIX-YUMQZZPRSA-N 1 1 197.307 1.648 10 0 ADAEMO C[C@H]1[C@H](NCc2ccco2)CC[N@@H+]1C 719626541 674065267 /nfs/dbraw/zinc/06/52/67/674065267.db2.gz SWRQZFQLPPMRHX-GXSJLCMTSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@@H](Nc2ccccn2)CC[N@H+]1C 719568124 674065281 /nfs/dbraw/zinc/06/52/81/674065281.db2.gz ADTANQQTAIEMCN-ZJUUUORDSA-N 1 1 191.278 1.586 10 0 ADAEMO C[C@H]1[C@H](NCc2ccoc2)CC[N@@H+]1C 719628886 674065410 /nfs/dbraw/zinc/06/54/10/674065410.db2.gz ZGGCEVHTOGFXRO-GXSJLCMTSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@H]1[C@H](NCc2ccoc2)CC[N@H+]1C 719628886 674065413 /nfs/dbraw/zinc/06/54/13/674065413.db2.gz ZGGCEVHTOGFXRO-GXSJLCMTSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@H]1[C@@H](NCc2ccoc2)CC[N@@H+]1C 719628889 674065452 /nfs/dbraw/zinc/06/54/52/674065452.db2.gz ZGGCEVHTOGFXRO-ONGXEEELSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@H]1[C@@H](NCc2ccoc2)CC[N@H+]1C 719628889 674065455 /nfs/dbraw/zinc/06/54/55/674065455.db2.gz ZGGCEVHTOGFXRO-ONGXEEELSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@H](NCc2ccco2)CC[N@@H+]1C 719626547 674065488 /nfs/dbraw/zinc/06/54/88/674065488.db2.gz SWRQZFQLPPMRHX-MWLCHTKSSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@H](NCc2ccco2)CC[N@H+]1C 719626547 674065492 /nfs/dbraw/zinc/06/54/92/674065492.db2.gz SWRQZFQLPPMRHX-MWLCHTKSSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@H](NCc2ccoc2)CC[N@@H+]1C 719628888 674065541 /nfs/dbraw/zinc/06/55/41/674065541.db2.gz ZGGCEVHTOGFXRO-MWLCHTKSSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@H](NCc2ccoc2)CC[N@H+]1C 719628888 674065545 /nfs/dbraw/zinc/06/55/45/674065545.db2.gz ZGGCEVHTOGFXRO-MWLCHTKSSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@@H](NCc2ccoc2)CC[N@@H+]1C 719628887 674065592 /nfs/dbraw/zinc/06/55/92/674065592.db2.gz ZGGCEVHTOGFXRO-KOLCDFICSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@@H](NCc2ccoc2)CC[N@H+]1C 719628887 674065596 /nfs/dbraw/zinc/06/55/96/674065596.db2.gz ZGGCEVHTOGFXRO-KOLCDFICSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@@H](Nc2nccs2)CC[N@H+]1C 719569731 674065714 /nfs/dbraw/zinc/06/57/14/674065714.db2.gz LOEBXUSSGMPNIX-SFYZADRCSA-N 1 1 197.307 1.648 10 0 ADAEMO C[C@H]1[C@@H](NCc2ccco2)CC[N@@H+]1C 719626549 674065744 /nfs/dbraw/zinc/06/57/44/674065744.db2.gz SWRQZFQLPPMRHX-ONGXEEELSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@H]1[C@@H](NCc2ccco2)CC[N@H+]1C 719626549 674065745 /nfs/dbraw/zinc/06/57/45/674065745.db2.gz SWRQZFQLPPMRHX-ONGXEEELSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@@H](NCc2ccco2)CC[N@@H+]1C 719626544 674065756 /nfs/dbraw/zinc/06/57/56/674065756.db2.gz SWRQZFQLPPMRHX-KOLCDFICSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1[C@@H](NCc2ccco2)CC[N@H+]1C 719626544 674065757 /nfs/dbraw/zinc/06/57/57/674065757.db2.gz SWRQZFQLPPMRHX-KOLCDFICSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@H]1[C@H](Nc2nccs2)CC[N@H+]1C 719569728 674065763 /nfs/dbraw/zinc/06/57/63/674065763.db2.gz LOEBXUSSGMPNIX-JGVFFNPUSA-N 1 1 197.307 1.648 10 0 ADAEMO CC(=O)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 719691906 674066026 /nfs/dbraw/zinc/06/60/26/674066026.db2.gz DZFFMDAPZCSJNS-SNVBAGLBSA-N 1 1 199.294 1.058 10 0 ADAEMO CC[N@@H+](CCCO)Cc1nocc1C 720359637 674068323 /nfs/dbraw/zinc/06/83/23/674068323.db2.gz YMGTWVJLPLFTQP-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO Cc1[nH+]ccn1CCc1ccns1 719893319 674066381 /nfs/dbraw/zinc/06/63/81/674066381.db2.gz JXBDHALDZDFUDR-UHFFFAOYSA-N 1 1 193.275 1.891 10 0 ADAEMO CC(=O)C[N@H+]1CCC[C@H](C(C)(C)O)C1 719691904 674066444 /nfs/dbraw/zinc/06/64/44/674066444.db2.gz DZFFMDAPZCSJNS-JTQLQIEISA-N 1 1 199.294 1.058 10 0 ADAEMO Cc1conc1C[NH+]1CCCCC1 720346351 674067561 /nfs/dbraw/zinc/06/75/61/674067561.db2.gz ZEAJOLFLCDKCKU-UHFFFAOYSA-N 1 1 180.251 1.969 10 0 ADAEMO COC[C@@H](C)[NH2+]Cc1nocc1C 720346326 674067720 /nfs/dbraw/zinc/06/77/20/674067720.db2.gz XXSSSBZRMIYLFE-MRVPVSSYSA-N 1 1 184.239 1.108 10 0 ADAEMO COC[C@H](C)[NH2+]Cc1nocc1C 720346327 674067855 /nfs/dbraw/zinc/06/78/55/674067855.db2.gz XXSSSBZRMIYLFE-QMMMGPOBSA-N 1 1 184.239 1.108 10 0 ADAEMO Cc1conc1C[NH2+][C@@H]1CCO[C@@H]1C 720352319 674068164 /nfs/dbraw/zinc/06/81/64/674068164.db2.gz CSBILNRPHSVPPU-RKDXNWHRSA-N 1 1 196.250 1.250 10 0 ADAEMO Cc1conc1C[N@@H+](C)CC(C)(C)O 720356467 674068184 /nfs/dbraw/zinc/06/81/84/674068184.db2.gz NZQXSNMEMMYDPQ-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1C[N@H+](C)CC(C)(C)O 720356467 674068185 /nfs/dbraw/zinc/06/81/85/674068185.db2.gz NZQXSNMEMMYDPQ-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1C[N@@H+](C)CC[C@H](C)O 720355648 674068222 /nfs/dbraw/zinc/06/82/22/674068222.db2.gz LBBRPAUIUJPICQ-VIFPVBQESA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1C[N@H+](C)CC[C@H](C)O 720355648 674068223 /nfs/dbraw/zinc/06/82/23/674068223.db2.gz LBBRPAUIUJPICQ-VIFPVBQESA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1C[N@@H+](CCO)C(C)C 720354843 674068267 /nfs/dbraw/zinc/06/82/67/674068267.db2.gz IYWHMDZZJNINFI-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1C[N@H+](CCO)C(C)C 720354843 674068268 /nfs/dbraw/zinc/06/82/68/674068268.db2.gz IYWHMDZZJNINFI-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1C[N@@H+](C)C(C)(C)CO 720356598 674068279 /nfs/dbraw/zinc/06/82/79/674068279.db2.gz PTJSSUIERKEMHC-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1C[N@H+](C)C(C)(C)CO 720356598 674068281 /nfs/dbraw/zinc/06/82/81/674068281.db2.gz PTJSSUIERKEMHC-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1C[N@@H+](C)CC[C@@H](C)O 720355647 674068304 /nfs/dbraw/zinc/06/83/04/674068304.db2.gz LBBRPAUIUJPICQ-SECBINFHSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1C[N@H+](C)CC[C@@H](C)O 720355647 674068306 /nfs/dbraw/zinc/06/83/06/674068306.db2.gz LBBRPAUIUJPICQ-SECBINFHSA-N 1 1 198.266 1.186 10 0 ADAEMO CCC[N@H+](CCO)Cc1nocc1C 720352235 674068311 /nfs/dbraw/zinc/06/83/11/674068311.db2.gz ADCRMVSYPQMNKM-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO CCC[N@@H+](CCO)Cc1nocc1C 720352235 674068312 /nfs/dbraw/zinc/06/83/12/674068312.db2.gz ADCRMVSYPQMNKM-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO CC[N@H+](CCCO)Cc1nocc1C 720359637 674068322 /nfs/dbraw/zinc/06/83/22/674068322.db2.gz YMGTWVJLPLFTQP-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO COCC[N@@H+](CC(C)(C)O)C(C)C 167553391 1169287241 /nfs/dbraw/zinc/28/72/41/1169287241.db2.gz KZXHYDOEDXKLPB-UHFFFAOYSA-N 1 1 189.299 1.114 10 0 ADAEMO Cc1cn(Cc2nocc2C)c(C)[nH+]1 720399925 674068618 /nfs/dbraw/zinc/06/86/18/674068618.db2.gz HODLECLVZBRYPE-UHFFFAOYSA-N 1 1 191.234 1.845 10 0 ADAEMO Cc1conc1C[NH2+][C@@H]1COC[C@H]1C 720372460 674068649 /nfs/dbraw/zinc/06/86/49/674068649.db2.gz IRBXRLNPORDEES-GMSGAONNSA-N 1 1 196.250 1.108 10 0 ADAEMO Cc1conc1Cn1c[nH+]c(C)c1C 720391085 674068718 /nfs/dbraw/zinc/06/87/18/674068718.db2.gz WWNMDWLOPCJLHX-UHFFFAOYSA-N 1 1 191.234 1.845 10 0 ADAEMO Cc1conc1C[NH2+][C@@H]1COC[C@@H]1C 720372462 674068724 /nfs/dbraw/zinc/06/87/24/674068724.db2.gz IRBXRLNPORDEES-OIBJUYFYSA-N 1 1 196.250 1.108 10 0 ADAEMO COCC(C)(C)[NH2+]Cc1nocc1C 720361533 674068755 /nfs/dbraw/zinc/06/87/55/674068755.db2.gz ACBCOBMCLOTPNB-UHFFFAOYSA-N 1 1 198.266 1.498 10 0 ADAEMO Cc1conc1C[NH2+][C@H]1COC[C@H]1C 720372464 674068767 /nfs/dbraw/zinc/06/87/67/674068767.db2.gz IRBXRLNPORDEES-XCBNKYQSSA-N 1 1 196.250 1.108 10 0 ADAEMO CC[C@@H](CO)[N@H+](C)Cc1nocc1C 720369650 674068805 /nfs/dbraw/zinc/06/88/05/674068805.db2.gz MWISUCCEQOVQSX-VIFPVBQESA-N 1 1 198.266 1.186 10 0 ADAEMO CC[C@@H](CO)[N@@H+](C)Cc1nocc1C 720369650 674068808 /nfs/dbraw/zinc/06/88/08/674068808.db2.gz MWISUCCEQOVQSX-VIFPVBQESA-N 1 1 198.266 1.186 10 0 ADAEMO CCc1[nH+]ccn1Cc1nocc1C 720388460 674068859 /nfs/dbraw/zinc/06/88/59/674068859.db2.gz DBANGMVPVZUBNR-UHFFFAOYSA-N 1 1 191.234 1.790 10 0 ADAEMO Cc1conc1C[N@H+](C)CCCCO 720369688 674068956 /nfs/dbraw/zinc/06/89/56/674068956.db2.gz NQNJAHMICGBFGC-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO Cc1conc1C[N@@H+](C)CCCCO 720369688 674068957 /nfs/dbraw/zinc/06/89/57/674068957.db2.gz NQNJAHMICGBFGC-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO CC[C@H](CO)[N@H+](C)Cc1nocc1C 720369649 674069004 /nfs/dbraw/zinc/06/90/04/674069004.db2.gz MWISUCCEQOVQSX-SECBINFHSA-N 1 1 198.266 1.186 10 0 ADAEMO CC[C@H](CO)[N@@H+](C)Cc1nocc1C 720369649 674069005 /nfs/dbraw/zinc/06/90/05/674069005.db2.gz MWISUCCEQOVQSX-SECBINFHSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1conc1Cn1cc[nH+]c1C 720388353 674069032 /nfs/dbraw/zinc/06/90/32/674069032.db2.gz CAMCCJLLFQGEJC-UHFFFAOYSA-N 1 1 177.207 1.536 10 0 ADAEMO Cc1conc1C[NH2+][C@H]1COC[C@@H]1C 720372466 674069075 /nfs/dbraw/zinc/06/90/75/674069075.db2.gz IRBXRLNPORDEES-XVKPBYJWSA-N 1 1 196.250 1.108 10 0 ADAEMO CC(=O)CC[N@H+]1CCC[C@@H](C(C)=O)C1 722095876 674069329 /nfs/dbraw/zinc/06/93/29/674069329.db2.gz XROARWIFWGVRJI-LLVKDONJSA-N 1 1 197.278 1.267 10 0 ADAEMO CC(=O)CC[N@H+]1CCC[C@H](C(C)=O)C1 722095877 674069353 /nfs/dbraw/zinc/06/93/53/674069353.db2.gz XROARWIFWGVRJI-NSHDSACASA-N 1 1 197.278 1.267 10 0 ADAEMO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccon1 720407656 674069642 /nfs/dbraw/zinc/06/96/42/674069642.db2.gz AOTOARQWCGRLBF-IUCAKERBSA-N 1 1 198.291 1.658 10 0 ADAEMO CC(=O)CC[N@H+]1CCO[C@H](C)CC1 720404527 674069653 /nfs/dbraw/zinc/06/96/53/674069653.db2.gz HWKYCTMGDYYWRZ-SNVBAGLBSA-N 1 1 185.267 1.076 10 0 ADAEMO CC[NH+](CC)Cc1nocc1C 720420601 674069720 /nfs/dbraw/zinc/06/97/20/674069720.db2.gz VCIAILCZABBVNP-UHFFFAOYSA-N 1 1 168.240 1.825 10 0 ADAEMO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccon1 720407655 674069724 /nfs/dbraw/zinc/06/97/24/674069724.db2.gz AOTOARQWCGRLBF-DTWKUNHWSA-N 1 1 198.291 1.658 10 0 ADAEMO CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2CN)C1 168811849 1169288869 /nfs/dbraw/zinc/28/88/69/1169288869.db2.gz QSKVIRZDEBDDDC-GRYCIOLGSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)CCO1 720416712 674069765 /nfs/dbraw/zinc/06/97/65/674069765.db2.gz BVPBAVQRXLDCFX-GMTAPVOTSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2(O)CCC2)CCO1 720423387 674069796 /nfs/dbraw/zinc/06/97/96/674069796.db2.gz BMKGSQKBKZSYMN-SNVBAGLBSA-N 1 1 199.294 1.012 10 0 ADAEMO CS[C@H]1CC[C@H]1[NH2+]Cc1ccon1 720407654 674069801 /nfs/dbraw/zinc/06/98/01/674069801.db2.gz AOTOARQWCGRLBF-BDAKNGLRSA-N 1 1 198.291 1.658 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2(O)CCC2)CCO1 720423383 674070079 /nfs/dbraw/zinc/07/00/79/674070079.db2.gz BMKGSQKBKZSYMN-JTQLQIEISA-N 1 1 199.294 1.012 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)CCO1 720416713 674070088 /nfs/dbraw/zinc/07/00/88/674070088.db2.gz BVPBAVQRXLDCFX-HBNTYKKESA-N 1 1 199.294 1.011 10 0 ADAEMO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccon1 720407657 674070181 /nfs/dbraw/zinc/07/01/81/674070181.db2.gz AOTOARQWCGRLBF-RKDXNWHRSA-N 1 1 198.291 1.658 10 0 ADAEMO CC(=O)CC[N@H+]1CCO[C@@H](C)CC1 720404526 674070268 /nfs/dbraw/zinc/07/02/68/674070268.db2.gz HWKYCTMGDYYWRZ-JTQLQIEISA-N 1 1 185.267 1.076 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)CCO1 720502132 674070763 /nfs/dbraw/zinc/07/07/63/674070763.db2.gz PLUKLUCLUMJRFU-SECBINFHSA-N 1 1 195.266 1.021 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2cn[nH]c2)CCO1 720502136 674070769 /nfs/dbraw/zinc/07/07/69/674070769.db2.gz PLUKLUCLUMJRFU-VIFPVBQESA-N 1 1 195.266 1.021 10 0 ADAEMO C=C/C=C\CC[N@H+]1C[C@@H](N)C(C)(C)C1 720737531 674071263 /nfs/dbraw/zinc/07/12/63/674071263.db2.gz PGNSGBXOMUXEOV-ISALQUGTSA-N 1 1 194.322 1.788 10 0 ADAEMO C=C/C=C\CCN1C[C@@H]([NH3+])C(C)(C)C1 720737531 674071264 /nfs/dbraw/zinc/07/12/64/674071264.db2.gz PGNSGBXOMUXEOV-ISALQUGTSA-N 1 1 194.322 1.788 10 0 ADAEMO C=C/C=C\CC[N@H+]1C[C@H](N)C(C)(C)C1 720737529 674071282 /nfs/dbraw/zinc/07/12/82/674071282.db2.gz PGNSGBXOMUXEOV-GZTOBOFZSA-N 1 1 194.322 1.788 10 0 ADAEMO C=C/C=C\CCN1C[C@H]([NH3+])C(C)(C)C1 720737529 674071283 /nfs/dbraw/zinc/07/12/83/674071283.db2.gz PGNSGBXOMUXEOV-GZTOBOFZSA-N 1 1 194.322 1.788 10 0 ADAEMO CC1(C)C[N@@H+](CC2CC=CC2)C[C@@H]1N 720740149 674071341 /nfs/dbraw/zinc/07/13/41/674071341.db2.gz KQAXPVHOGJBAQU-NSHDSACASA-N 1 1 194.322 1.622 10 0 ADAEMO CC1(C)C[N@@H+](CC2CC=CC2)C[C@H]1N 720740146 674071344 /nfs/dbraw/zinc/07/13/44/674071344.db2.gz KQAXPVHOGJBAQU-LLVKDONJSA-N 1 1 194.322 1.622 10 0 ADAEMO C=C/C=C/CC[N@H+]1C[C@@H](N)C(C)(C)C1 720737533 674071397 /nfs/dbraw/zinc/07/13/97/674071397.db2.gz PGNSGBXOMUXEOV-MVIFTORASA-N 1 1 194.322 1.788 10 0 ADAEMO C=C/C=C/CCN1C[C@@H]([NH3+])C(C)(C)C1 720737533 674071401 /nfs/dbraw/zinc/07/14/01/674071401.db2.gz PGNSGBXOMUXEOV-MVIFTORASA-N 1 1 194.322 1.788 10 0 ADAEMO CC1(C)C[NH2+]C[C@@H]1NC1CCCC1 720763774 674071467 /nfs/dbraw/zinc/07/14/67/674071467.db2.gz AZSLKSUITOINFH-JTQLQIEISA-N 1 1 182.311 1.517 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CCC[C@@H]1CN 168790291 1169290577 /nfs/dbraw/zinc/29/05/77/1169290577.db2.gz CJFIPNSNNINFAD-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC1(C)C[NH2+]C[C@H]1NC1CCCC1 720763780 674071516 /nfs/dbraw/zinc/07/15/16/674071516.db2.gz AZSLKSUITOINFH-SNVBAGLBSA-N 1 1 182.311 1.517 10 0 ADAEMO C=C/C=C/CC[N@H+]1C[C@H](N)C(C)(C)C1 720737536 674071525 /nfs/dbraw/zinc/07/15/25/674071525.db2.gz PGNSGBXOMUXEOV-QRGHLMKCSA-N 1 1 194.322 1.788 10 0 ADAEMO C=C/C=C/CCN1C[C@H]([NH3+])C(C)(C)C1 720737536 674071526 /nfs/dbraw/zinc/07/15/26/674071526.db2.gz PGNSGBXOMUXEOV-QRGHLMKCSA-N 1 1 194.322 1.788 10 0 ADAEMO CCC[C@H](C)[N@H+]1CCC[C@@H]1CN 168790391 1169291097 /nfs/dbraw/zinc/29/10/97/1169291097.db2.gz CJFIPNSNNINFAD-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@H]([NH2+][C@H]1CCOC1=O)C1CCCC1 306371907 674072196 /nfs/dbraw/zinc/07/21/96/674072196.db2.gz PSBATLUCGPUCLH-WPRPVWTQSA-N 1 1 197.278 1.470 10 0 ADAEMO CC(C)[C@H](C)N[C@@H]1C[NH2+]C[C@H]1C 306376676 674072221 /nfs/dbraw/zinc/07/22/21/674072221.db2.gz RLVQGIPJXLBQNV-KXUCPTDWSA-N 1 1 170.300 1.228 10 0 ADAEMO CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C 720879459 674072255 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10 0 ADAEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1C(N)=O 307571847 1169529691 /nfs/dbraw/zinc/52/96/91/1169529691.db2.gz FFVORNIWHXNIIU-DTWKUNHWSA-N 1 1 184.283 1.125 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](CO)CC[C@@H]1C 307576438 1169529713 /nfs/dbraw/zinc/52/97/13/1169529713.db2.gz KETHGUCTMRQLCO-GARJFASQSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[N@@H+](C)CC1(CC)COC1 307572178 1169530033 /nfs/dbraw/zinc/53/00/33/1169530033.db2.gz YLXUSYWMRYIQIN-UHFFFAOYSA-N 1 1 157.257 1.365 10 0 ADAEMO Cc1nnc([C@@H]([NH3+])CC2CC2)o1 307606445 1169530434 /nfs/dbraw/zinc/53/04/34/1169530434.db2.gz AFJYBEQFPYFESA-ZETCQYMHSA-N 1 1 167.212 1.178 10 0 ADAEMO FC[C@H]1CCC[N@H+]1[C@H]1CCCOC1 307594985 1169531556 /nfs/dbraw/zinc/53/15/56/1169531556.db2.gz KWFRGAGGROGDBB-ZJUUUORDSA-N 1 1 187.258 1.599 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](F)C[C@H]1CO 307610194 1169532223 /nfs/dbraw/zinc/53/22/23/1169532223.db2.gz FLXXHRCOAZBSCK-YIZRAAEISA-N 1 1 175.247 1.190 10 0 ADAEMO FC[C@H]1CCC[N@H+]1[C@@H]1CCCOC1 307594982 1169532404 /nfs/dbraw/zinc/53/24/04/1169532404.db2.gz KWFRGAGGROGDBB-NXEZZACHSA-N 1 1 187.258 1.599 10 0 ADAEMO COc1ccncc1C[NH+](C)C 307639731 1169532914 /nfs/dbraw/zinc/53/29/14/1169532914.db2.gz FXQUJADOMZOTHY-UHFFFAOYSA-N 1 1 166.224 1.152 10 0 ADAEMO CC[N@H+]1C[C@H]2CCC(F)(F)[C@H]2C1 307638509 1169533325 /nfs/dbraw/zinc/53/33/25/1169533325.db2.gz AGFBZZSVGAMLMV-SFYZADRCSA-N 1 1 175.222 1.983 10 0 ADAEMO C[N@@H+](CCO)[C@@H]1CCCC(C)(C)C1 307632503 1169533401 /nfs/dbraw/zinc/53/34/01/1169533401.db2.gz PYMADUWGRPVOJU-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[N@@H+](C)Cc1cnoc1 307623053 1169533725 /nfs/dbraw/zinc/53/37/25/1169533725.db2.gz DOASXSBMQAZHSD-UHFFFAOYSA-N 1 1 154.213 1.516 10 0 ADAEMO C[N@@H+](CCF)[C@@H]1CCCSC1 307636508 1169534010 /nfs/dbraw/zinc/53/40/10/1169534010.db2.gz XDUGYJFUOQRIOZ-MRVPVSSYSA-N 1 1 177.288 1.783 10 0 ADAEMO C[N@@H+](CCO)[C@H]1CCCC(C)(C)C1 307632502 1169534459 /nfs/dbraw/zinc/53/44/59/1169534459.db2.gz PYMADUWGRPVOJU-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO C[N@@H+](CCF)[C@H]1CCCSC1 307636509 1169534597 /nfs/dbraw/zinc/53/45/97/1169534597.db2.gz XDUGYJFUOQRIOZ-QMMMGPOBSA-N 1 1 177.288 1.783 10 0 ADAEMO CCC[N@@H+](C)Cc1cc[nH]c1 307639716 1169534657 /nfs/dbraw/zinc/53/46/57/1169534657.db2.gz CVGYRVOBAVCWEY-UHFFFAOYSA-N 1 1 152.241 1.857 10 0 ADAEMO CO[C@H]1CC[N@@H+](Cc2ccc[nH]2)C1 307659216 1169535311 /nfs/dbraw/zinc/53/53/11/1169535311.db2.gz CNZKWPHFNGQUIQ-JTQLQIEISA-N 1 1 180.251 1.235 10 0 ADAEMO C[N@@H+](CC1CCCCC1)C1COC1 307697515 1169536666 /nfs/dbraw/zinc/53/66/66/1169536666.db2.gz GNZKZCHHVQCVKA-UHFFFAOYSA-N 1 1 183.295 1.897 10 0 ADAEMO C[C@H](O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 307699883 1169536702 /nfs/dbraw/zinc/53/67/02/1169536702.db2.gz KYTDNTUAVRTWEN-XKNYDFJKSA-N 1 1 189.274 1.436 10 0 ADAEMO N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOC1 307702017 1169536808 /nfs/dbraw/zinc/53/68/08/1169536808.db2.gz SWQUEMCZNPECNW-MXWKQRLJSA-N 1 1 198.310 1.025 10 0 ADAEMO C[N@H+](C1CCCC1)C1COC1 307695838 1169536896 /nfs/dbraw/zinc/53/68/96/1169536896.db2.gz CFBASPSZJRGJBA-UHFFFAOYSA-N 1 1 155.241 1.260 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)C[C@H]2C)C1 307696786 1169536968 /nfs/dbraw/zinc/53/69/68/1169536968.db2.gz KZMBZDQZTXJFJA-ZNSHCXBVSA-N 1 1 183.295 1.630 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2C[C@H](O)C[C@H]2C)C1 307696783 1169536995 /nfs/dbraw/zinc/53/69/95/1169536995.db2.gz KZMBZDQZTXJFJA-CHWFTXMASA-N 1 1 183.295 1.630 10 0 ADAEMO C[C@H](O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 307699880 1169537113 /nfs/dbraw/zinc/53/71/13/1169537113.db2.gz KYTDNTUAVRTWEN-AATLWQCWSA-N 1 1 189.274 1.436 10 0 ADAEMO C[C@H](O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 307699881 1169537238 /nfs/dbraw/zinc/53/72/38/1169537238.db2.gz KYTDNTUAVRTWEN-KATARQTJSA-N 1 1 189.274 1.436 10 0 ADAEMO C[C@H](O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 307699882 1169537286 /nfs/dbraw/zinc/53/72/86/1169537286.db2.gz KYTDNTUAVRTWEN-XFWSIPNHSA-N 1 1 189.274 1.436 10 0 ADAEMO C[N@@H+](CC1CCC1)[C@H]1CCOC1=O 307696769 1169537387 /nfs/dbraw/zinc/53/73/87/1169537387.db2.gz KXYQIKNTAYPQLT-VIFPVBQESA-N 1 1 183.251 1.034 10 0 ADAEMO N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOC1 307702007 1169537463 /nfs/dbraw/zinc/53/74/63/1169537463.db2.gz SWQUEMCZNPECNW-AXFHLTTASA-N 1 1 198.310 1.025 10 0 ADAEMO C[N@@H+](CC1CCC1)[C@@H]1CCOC1=O 307696768 1169537608 /nfs/dbraw/zinc/53/76/08/1169537608.db2.gz KXYQIKNTAYPQLT-SECBINFHSA-N 1 1 183.251 1.034 10 0 ADAEMO COc1cc(C[NH+]2CCC2)ccn1 307713937 1169538010 /nfs/dbraw/zinc/53/80/10/1169538010.db2.gz CTDCUFXLPPXVDL-UHFFFAOYSA-N 1 1 178.235 1.296 10 0 ADAEMO C[C@H]1CC[C@H]([N@H+]2[C@@H](C)CNC[C@H]2C)C1 307717502 1169538139 /nfs/dbraw/zinc/53/81/39/1169538139.db2.gz JPLLGUMZZRVERM-YFKTTZPYSA-N 1 1 196.338 1.857 10 0 ADAEMO CO[C@H]1CC[N@H+]([C@@H]2CCSC2)C1 307725386 1169538612 /nfs/dbraw/zinc/53/86/12/1169538612.db2.gz AYOORJBENBUGMV-BDAKNGLRSA-N 1 1 187.308 1.213 10 0 ADAEMO C[N@H+]1CCC=C(c2ccncc2)C1 307713246 1169538635 /nfs/dbraw/zinc/53/86/35/1169538635.db2.gz ZYYMXBFKDGRMHX-UHFFFAOYSA-N 1 1 174.247 1.801 10 0 ADAEMO C[C@H]1CC[C@@H]([N@H+]2[C@@H](C)CNC[C@H]2C)C1 307717499 1169538719 /nfs/dbraw/zinc/53/87/19/1169538719.db2.gz JPLLGUMZZRVERM-NNYUYHANSA-N 1 1 196.338 1.857 10 0 ADAEMO COCC[N@H+]1CCC[C@@H]1CF 307722578 1169538778 /nfs/dbraw/zinc/53/87/78/1169538778.db2.gz YWPFNWCHUMNGET-MRVPVSSYSA-N 1 1 161.220 1.067 10 0 ADAEMO CO[C@H]1CC[N@H+]([C@H]2CCSC2)C1 307725387 1169538822 /nfs/dbraw/zinc/53/88/22/1169538822.db2.gz AYOORJBENBUGMV-IUCAKERBSA-N 1 1 187.308 1.213 10 0 ADAEMO CC[C@H](C)[N@H+]1CCO[C@@H]2C[C@@H]21 307715968 1169538895 /nfs/dbraw/zinc/53/88/95/1169538895.db2.gz GVWRQXAVNUQLFE-XHNCKOQMSA-N 1 1 155.241 1.258 10 0 ADAEMO C[N@H+]1CCC[C@H](OCC2CC2)C1 307721233 1169539117 /nfs/dbraw/zinc/53/91/17/1169539117.db2.gz QCAPDVHELUGZDN-JTQLQIEISA-N 1 1 169.268 1.507 10 0 ADAEMO CCCC[N@@H+](C)C1COC1 307726877 1169539145 /nfs/dbraw/zinc/53/91/45/1169539145.db2.gz COVHOSVKGLXPEG-UHFFFAOYSA-N 1 1 143.230 1.117 10 0 ADAEMO Nc1nc(N2C3CCC2CC3)cc[nH+]1 307732850 1169539431 /nfs/dbraw/zinc/53/94/31/1169539431.db2.gz QMDHYPKBUHNYAT-UHFFFAOYSA-N 1 1 190.250 1.190 10 0 ADAEMO C[C@@H]1C[C@@H](O)CC[N@H+]1CC1CCC1 307724761 1169539502 /nfs/dbraw/zinc/53/95/02/1169539502.db2.gz ZJUZHBFEKPWXJO-KOLCDFICSA-N 1 1 183.295 1.632 10 0 ADAEMO CC[N@@H+](C)C[C@@H]1C[C@@H]1C 307730152 1169539548 /nfs/dbraw/zinc/53/95/48/1169539548.db2.gz GPOWWOMNSANNDF-YUMQZZPRSA-N 1 1 127.231 1.594 10 0 ADAEMO CC[N@@H+](C)C[C@@H]1C[C@H]1C 307730151 1169539588 /nfs/dbraw/zinc/53/95/88/1169539588.db2.gz GPOWWOMNSANNDF-SFYZADRCSA-N 1 1 127.231 1.594 10 0 ADAEMO C[N@H+]1CCC[C@@H](OCC2CC2)C1 307721234 1169539809 /nfs/dbraw/zinc/53/98/09/1169539809.db2.gz QCAPDVHELUGZDN-SNVBAGLBSA-N 1 1 169.268 1.507 10 0 ADAEMO CC[C@H](C)[N@H+]1CCO[C@H]2C[C@H]21 307715969 1169539926 /nfs/dbraw/zinc/53/99/26/1169539926.db2.gz GVWRQXAVNUQLFE-YIZRAAEISA-N 1 1 155.241 1.258 10 0 ADAEMO C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](C)C2)C1 307731475 1169540067 /nfs/dbraw/zinc/54/00/67/1169540067.db2.gz KBGYADHBXJWDOE-GMTAPVOTSA-N 1 1 183.295 1.896 10 0 ADAEMO C[C@H]1C[C@H](O)CC[N@H+]1CC1CCC1 307724760 1169540153 /nfs/dbraw/zinc/54/01/53/1169540153.db2.gz ZJUZHBFEKPWXJO-GXSJLCMTSA-N 1 1 183.295 1.632 10 0 ADAEMO CC[N@@H+](C)C[C@H]1C[C@@H]1C 307730149 1169540288 /nfs/dbraw/zinc/54/02/88/1169540288.db2.gz GPOWWOMNSANNDF-JGVFFNPUSA-N 1 1 127.231 1.594 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](C)C2)C1 307731481 1169540454 /nfs/dbraw/zinc/54/04/54/1169540454.db2.gz KBGYADHBXJWDOE-MXWKQRLJSA-N 1 1 183.295 1.896 10 0 ADAEMO CC[N@@H+](C)C[C@H]1C[C@H]1C 307730148 1169540528 /nfs/dbraw/zinc/54/05/28/1169540528.db2.gz GPOWWOMNSANNDF-HTQZYQBOSA-N 1 1 127.231 1.594 10 0 ADAEMO C[C@H](CC1CC1)[N@H+]1CC[C@@H](O)C1 307745932 1169541012 /nfs/dbraw/zinc/54/10/12/1169541012.db2.gz TXQOJWSGAGFNEI-PSASIEDQSA-N 1 1 169.268 1.242 10 0 ADAEMO CC[C@@H]1CC[N@H+]([C@H]2CCN(C)C2)C1 307747148 1169541544 /nfs/dbraw/zinc/54/15/44/1169541544.db2.gz XQJKLDFWZIQEFL-MNOVXSKESA-N 1 1 182.311 1.422 10 0 ADAEMO C[Si](C)(C)C[N@H+]1C[C@@H](O)C2(CC2)C1 307741379 1169541712 /nfs/dbraw/zinc/54/17/12/1169541712.db2.gz IUGCSGNCYFAEGS-SECBINFHSA-N 1 1 199.370 1.321 10 0 ADAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@@H](O)C1 307745933 1169542050 /nfs/dbraw/zinc/54/20/50/1169542050.db2.gz TXQOJWSGAGFNEI-WCBMZHEXSA-N 1 1 169.268 1.242 10 0 ADAEMO C[Si](C)(C)C[N@H+]1C[C@H](O)C2(CC2)C1 307741380 1169542063 /nfs/dbraw/zinc/54/20/63/1169542063.db2.gz IUGCSGNCYFAEGS-VIFPVBQESA-N 1 1 199.370 1.321 10 0 ADAEMO CC[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2)C1 307747147 1169543040 /nfs/dbraw/zinc/54/30/40/1169543040.db2.gz XQJKLDFWZIQEFL-GHMZBOCLSA-N 1 1 182.311 1.422 10 0 ADAEMO CCCn1cncc1C[NH2+]CCF 308173007 1169546116 /nfs/dbraw/zinc/54/61/16/1169546116.db2.gz DHCPIGQZBWPJQF-UHFFFAOYSA-N 1 1 185.246 1.352 10 0 ADAEMO C[C@@]1(CO)CCC[N@@H+](CCCF)C1 308249682 1169546895 /nfs/dbraw/zinc/54/68/95/1169546895.db2.gz GYDPLEBFKZHBOT-SNVBAGLBSA-N 1 1 189.274 1.440 10 0 ADAEMO CCC[C@H](C)[N@H+]1C[C@H](F)C[C@H]1CO 308228574 1169546968 /nfs/dbraw/zinc/54/69/68/1169546968.db2.gz NVQHHFUACKPPHQ-AEJSXWLSSA-N 1 1 189.274 1.580 10 0 ADAEMO CCC(CC)[N@@H+](CC)CCC(N)=O 308238442 1169547170 /nfs/dbraw/zinc/54/71/70/1169547170.db2.gz RPRWQYFLMBGKQB-UHFFFAOYSA-N 1 1 186.299 1.372 10 0 ADAEMO CCCC[N@@H+](C)[C@@H]1CCN(CC)C1 308222841 1169547539 /nfs/dbraw/zinc/54/75/39/1169547539.db2.gz LYYLHZCXBAWZTA-LLVKDONJSA-N 1 1 184.327 1.813 10 0 ADAEMO CCCCN(C)[C@@H]1CC[N@H+](CC)C1 308222841 1169547544 /nfs/dbraw/zinc/54/75/44/1169547544.db2.gz LYYLHZCXBAWZTA-LLVKDONJSA-N 1 1 184.327 1.813 10 0 ADAEMO CCCCN(C)[C@@H]1CC[N@@H+](CC)C1 308222841 1169547550 /nfs/dbraw/zinc/54/75/50/1169547550.db2.gz LYYLHZCXBAWZTA-LLVKDONJSA-N 1 1 184.327 1.813 10 0 ADAEMO CC[N@@H+](C)C[C@@H](O)COC(C)(C)C 308233809 1169547833 /nfs/dbraw/zinc/54/78/33/1169547833.db2.gz QCHGJLXDPVILEY-SECBINFHSA-N 1 1 189.299 1.114 10 0 ADAEMO CCCC[N@H+]1CCC[C@H](C)[C@@H]1CO 308492474 1169550065 /nfs/dbraw/zinc/55/00/65/1169550065.db2.gz RTKHUKABSVMRDW-QWRGUYRKSA-N 1 1 185.311 1.879 10 0 ADAEMO CCCC[N@H+]1CCC[C@H](C)[C@H]1CO 308492475 1169550289 /nfs/dbraw/zinc/55/02/89/1169550289.db2.gz RTKHUKABSVMRDW-WDEREUQCSA-N 1 1 185.311 1.879 10 0 ADAEMO COCC[N@@H+](C)C[C@H](C)C(F)(F)F 308470896 1169550923 /nfs/dbraw/zinc/55/09/23/1169550923.db2.gz KKUQDMSVCSPEIC-ZETCQYMHSA-N 1 1 199.216 1.763 10 0 ADAEMO C[N@H+](CC1CCC(O)CC1)CC1CC1 308582774 1169551639 /nfs/dbraw/zinc/55/16/39/1169551639.db2.gz QHEVJJNWHHNEBA-UHFFFAOYSA-N 1 1 197.322 1.879 10 0 ADAEMO CCC[C@H](C)CN1CC[NH2+]C[C@H](C)C1 323584298 1169557748 /nfs/dbraw/zinc/55/77/48/1169557748.db2.gz ZTNQMYKCDNEHRV-RYUDHWBXSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@H](C)C[N@H+]1CCNC[C@H](C)C1 323584298 1169557743 /nfs/dbraw/zinc/55/77/43/1169557743.db2.gz ZTNQMYKCDNEHRV-RYUDHWBXSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CCNC[C@H](C)C1 323584295 1169558565 /nfs/dbraw/zinc/55/85/65/1169558565.db2.gz ZTNQMYKCDNEHRV-NEPJUHHUSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@@H](C)CN1CC[NH2+]C[C@H](C)C1 323584295 1169558570 /nfs/dbraw/zinc/55/85/70/1169558570.db2.gz ZTNQMYKCDNEHRV-NEPJUHHUSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@H](C)C[N@H+]1CCNC[C@@H](C)C1 323584296 1169558883 /nfs/dbraw/zinc/55/88/83/1169558883.db2.gz ZTNQMYKCDNEHRV-NWDGAFQWSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@H](C)CN1CC[NH2+]C[C@@H](C)C1 323584296 1169558886 /nfs/dbraw/zinc/55/88/86/1169558886.db2.gz ZTNQMYKCDNEHRV-NWDGAFQWSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CCNC[C@@H](C)C1 323584299 1169559130 /nfs/dbraw/zinc/55/91/30/1169559130.db2.gz ZTNQMYKCDNEHRV-VXGBXAGGSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@@H](C)CN1CC[NH2+]C[C@@H](C)C1 323584299 1169559136 /nfs/dbraw/zinc/55/91/36/1169559136.db2.gz ZTNQMYKCDNEHRV-VXGBXAGGSA-N 1 1 198.354 1.964 10 0 ADAEMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)ncn1 334191355 1169559775 /nfs/dbraw/zinc/55/97/75/1169559775.db2.gz IHZMBCFLJTZGCR-PSASIEDQSA-N 1 1 191.278 1.625 10 0 ADAEMO CCC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1CO 378791624 1169561483 /nfs/dbraw/zinc/56/14/83/1169561483.db2.gz 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CCC[C@@H](C)[N@@H+](CC)C1CN(C)C1 1257324162 1170003802 /nfs/dbraw/zinc/00/38/02/1170003802.db2.gz JHORYBVTTIFGHW-SNVBAGLBSA-N 1 1 184.327 1.811 10 0 ADAEMO CCC[C@H](C)[N@@H+](CC)C1CN(C)C1 1257324161 1170003845 /nfs/dbraw/zinc/00/38/45/1170003845.db2.gz JHORYBVTTIFGHW-JTQLQIEISA-N 1 1 184.327 1.811 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)C1COC1 1257320550 1170003967 /nfs/dbraw/zinc/00/39/67/1170003967.db2.gz JYVGNIZKEBKJSY-MRVPVSSYSA-N 1 1 157.257 1.506 10 0 ADAEMO CCC[C@H](C)[N@H+]1CCNC(=O)C1(C)C 1257321914 1170004024 /nfs/dbraw/zinc/00/40/24/1170004024.db2.gz ZCRRQNWYPOKWCU-VIFPVBQESA-N 1 1 198.310 1.385 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)C1(C)COC1 1257326024 1170004816 /nfs/dbraw/zinc/00/48/16/1170004816.db2.gz RUMIJOQHDJDYEY-SECBINFHSA-N 1 1 171.284 1.896 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CCNC(=O)C1(C)C 1257321912 1170005036 /nfs/dbraw/zinc/00/50/36/1170005036.db2.gz ZCRRQNWYPOKWCU-SECBINFHSA-N 1 1 198.310 1.385 10 0 ADAEMO FC1(F)C[C@@H]1[NH2+]C1CCCC1 1257342060 1170008055 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149.184 1.782 10 0 ADAEMO CC[C@H](C)[NH2+][C@H]1CC1(F)F 1257428192 1170021877 /nfs/dbraw/zinc/02/18/77/1170021877.db2.gz NQHINCACQSUWEJ-WDSKDSINSA-N 1 1 149.184 1.782 10 0 ADAEMO CC[C@@H](C)[NH2+][C@@H]1CC1(F)F 1257428190 1170022740 /nfs/dbraw/zinc/02/27/40/1170022740.db2.gz NQHINCACQSUWEJ-PHDIDXHHSA-N 1 1 149.184 1.782 10 0 ADAEMO CC[C@H](C)N1CC([NH+](C)C)C1 1257438368 1170025848 /nfs/dbraw/zinc/02/58/48/1170025848.db2.gz VYGGADQZLYYBKX-QMMMGPOBSA-N 1 1 156.273 1.031 10 0 ADAEMO CC[C@@H](C)[N@H+]1C[C@H](F)[C@@H](OC)C1 1257437672 1170026221 /nfs/dbraw/zinc/02/62/21/1170026221.db2.gz LWMSZQLCCOSTQZ-VGMNWLOBSA-N 1 1 175.247 1.454 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC[C@H]1C 1257438335 1170026362 /nfs/dbraw/zinc/02/63/62/1170026362.db2.gz URIUXDGQAKPNHJ-HTQZYQBOSA-N 1 1 127.231 1.879 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H]1C 1257438338 1170026375 /nfs/dbraw/zinc/02/63/75/1170026375.db2.gz URIUXDGQAKPNHJ-YUMQZZPRSA-N 1 1 127.231 1.879 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H]2CCO[C@H]2C1 1257439223 1170026579 /nfs/dbraw/zinc/02/65/79/1170026579.db2.gz FAXYQVNTOFBBKL-AXFHLTTASA-N 1 1 183.295 1.896 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](F)[C@@H](OC)C1 1257437669 1170026781 /nfs/dbraw/zinc/02/67/81/1170026781.db2.gz LWMSZQLCCOSTQZ-CIUDSAMLSA-N 1 1 175.247 1.454 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H](C)[C@](C)(O)C1 1257438116 1170027975 /nfs/dbraw/zinc/02/79/75/1170027975.db2.gz RDCLHYYVLMQDCH-OUAUKWLOSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H]1C 1257438336 1170028040 /nfs/dbraw/zinc/02/80/40/1170028040.db2.gz URIUXDGQAKPNHJ-JGVFFNPUSA-N 1 1 127.231 1.879 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC[C@@H]2COC[C@@H]2C1 1257437226 1170028060 /nfs/dbraw/zinc/02/80/60/1170028060.db2.gz DVUWLAFLDNTCIP-MXWKQRLJSA-N 1 1 183.295 1.753 10 0 ADAEMO CC[C@@H](C)N1CC([NH+](C)C)C1 1257438367 1170028187 /nfs/dbraw/zinc/02/81/87/1170028187.db2.gz VYGGADQZLYYBKX-MRVPVSSYSA-N 1 1 156.273 1.031 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 1257438118 1170028677 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CC[C@@H](C)[NH+]1CC(N2CCCC2)C1 1257443878 1170031563 /nfs/dbraw/zinc/03/15/63/1170031563.db2.gz YYXBUWDAPWBFOK-SNVBAGLBSA-N 1 1 182.311 1.565 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCC12COC2 1257443781 1170031736 /nfs/dbraw/zinc/03/17/36/1170031736.db2.gz XCNGOQYXMFLYNP-MRVPVSSYSA-N 1 1 155.241 1.260 10 0 ADAEMO CC[C@@H](C)N1CC(C)([NH+](C)C)C1 1257444799 1170032109 /nfs/dbraw/zinc/03/21/09/1170032109.db2.gz WNWUTQQJIJISNK-SECBINFHSA-N 1 1 170.300 1.421 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCN2CC[C@H]1C2 1257443457 1170032313 /nfs/dbraw/zinc/03/23/13/1170032313.db2.gz MGTHBOZQPYZAPM-ZJUUUORDSA-N 1 1 168.284 1.175 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)C1COC1 1257442369 1170032326 /nfs/dbraw/zinc/03/23/26/1170032326.db2.gz AQEUAGNCMKPNJN-QMMMGPOBSA-N 1 1 157.257 1.506 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H]2OCC[C@H]2C1 1257442717 1170032815 /nfs/dbraw/zinc/03/28/15/1170032815.db2.gz HYALTWVVJWEEBA-DCAQKATOSA-N 1 1 183.295 1.896 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H]2OCC[C@@H]2C1 1257442718 1170032859 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1170522587 /nfs/dbraw/zinc/52/25/87/1170522587.db2.gz UJDHKGICEFYQBH-UTLUCORTSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1CC[C@H]1N[C@@H]1CC[NH2+]C1(C)C 1350958582 1170523397 /nfs/dbraw/zinc/52/33/97/1170523397.db2.gz UJDHKGICEFYQBH-OPRDCNLKSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1CC[C@@H]1N[C@@H]1CC[NH2+]C1(C)C 1350958581 1170523550 /nfs/dbraw/zinc/52/35/50/1170523550.db2.gz UJDHKGICEFYQBH-KXUCPTDWSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1CC[C@H]1N[C@H]1CC[NH2+]C1(C)C 1350958562 1170523689 /nfs/dbraw/zinc/52/36/89/1170523689.db2.gz UJDHKGICEFYQBH-BBBLOLIVSA-N 1 1 182.311 1.515 10 0 ADAEMO CC[C@]1(O)CC[N@H+]([C@@H](C)C2CC2)C1 1351338250 1170525441 /nfs/dbraw/zinc/52/54/41/1170525441.db2.gz GEFDWHOSXANTBX-ONGXEEELSA-N 1 1 183.295 1.632 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CC[C@H](O)C(C)(C)C1 1351373318 1170525690 /nfs/dbraw/zinc/52/56/90/1170525690.db2.gz DGTASOMWIOVZJX-ONGXEEELSA-N 1 1 197.322 1.878 10 0 ADAEMO CC[C@@]1(O)CC[N@H+]([C@@H](C)C2CC2)C1 1351338247 1170525978 /nfs/dbraw/zinc/52/59/78/1170525978.db2.gz GEFDWHOSXANTBX-GXSJLCMTSA-N 1 1 183.295 1.632 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CC[C@@H](O)C(C)(C)C1 1351373315 1170526288 /nfs/dbraw/zinc/52/62/88/1170526288.db2.gz DGTASOMWIOVZJX-GXSJLCMTSA-N 1 1 197.322 1.878 10 0 ADAEMO CC[C@@]1(O)CC[N@H+]([C@H](C)C2CC2)C1 1351338249 1170526418 /nfs/dbraw/zinc/52/64/18/1170526418.db2.gz GEFDWHOSXANTBX-MWLCHTKSSA-N 1 1 183.295 1.632 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CC[C@@H](O)C(C)(C)C1 1351373317 1170527158 /nfs/dbraw/zinc/52/71/58/1170527158.db2.gz DGTASOMWIOVZJX-MWLCHTKSSA-N 1 1 197.322 1.878 10 0 ADAEMO CC[C@@H]1C[C@H]1C[N@@H+](C)CC1(CO)CC1 1351373809 1170527452 /nfs/dbraw/zinc/52/74/52/1170527452.db2.gz LPTYZMYPQKIECP-MNOVXSKESA-N 1 1 197.322 1.737 10 0 ADAEMO CC[C@]1(O)CC[N@H+]([C@H](C)C2CC2)C1 1351338248 1170527598 /nfs/dbraw/zinc/52/75/98/1170527598.db2.gz GEFDWHOSXANTBX-KOLCDFICSA-N 1 1 183.295 1.632 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CC[C@H](O)C(C)(C)C1 1351373316 1170527616 /nfs/dbraw/zinc/52/76/16/1170527616.db2.gz DGTASOMWIOVZJX-KOLCDFICSA-N 1 1 197.322 1.878 10 0 ADAEMO C1=CC[N@@H+](CCO[C@@H]2CCOC2)CC1 1354494857 1170549223 /nfs/dbraw/zinc/54/92/23/1170549223.db2.gz NNNKBUMGUCNNEO-LLVKDONJSA-N 1 1 197.278 1.054 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+](C)CCN(C)C1CC1 1354624844 1170549474 /nfs/dbraw/zinc/54/94/74/1170549474.db2.gz UQJVEDRDKAANSQ-JTQLQIEISA-N 1 1 196.338 1.811 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)CCN(C)C1CC1 1354624850 1170550865 /nfs/dbraw/zinc/55/08/65/1170550865.db2.gz UQJVEDRDKAANSQ-SNVBAGLBSA-N 1 1 196.338 1.811 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCOCC2(CC2)C1 1354585767 1170551044 /nfs/dbraw/zinc/55/10/44/1170551044.db2.gz YNJVNRQIDMKSLW-SNVBAGLBSA-N 1 1 195.306 1.897 10 0 ADAEMO C1=CC[N@@H+](CCO[C@H]2CCOC2)CC1 1354494858 1170551320 /nfs/dbraw/zinc/55/13/20/1170551320.db2.gz NNNKBUMGUCNNEO-NSHDSACASA-N 1 1 197.278 1.054 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCOCC2(CC2)C1 1354585765 1170551698 /nfs/dbraw/zinc/55/16/98/1170551698.db2.gz YNJVNRQIDMKSLW-JTQLQIEISA-N 1 1 195.306 1.897 10 0 ADAEMO CC[N@@H+]1CC[C@H]1C(=O)NC1(C)CCC1 1446306954 1170566645 /nfs/dbraw/zinc/56/66/45/1170566645.db2.gz FPRBTLDQDHGTTD-VIFPVBQESA-N 1 1 196.294 1.139 10 0 ADAEMO CC[N@H+]1CC[C@H]1C(=O)NC1(C)CCC1 1446306954 1170566649 /nfs/dbraw/zinc/56/66/49/1170566649.db2.gz FPRBTLDQDHGTTD-VIFPVBQESA-N 1 1 196.294 1.139 10 0 ADAEMO CC[N@H+]1CC[C@H]1C(=O)N1CCC1(C)C 1444454706 1170567048 /nfs/dbraw/zinc/56/70/48/1170567048.db2.gz QXAQOHQNLBIOCX-VIFPVBQESA-N 1 1 196.294 1.092 10 0 ADAEMO CC[N@@H+]1CC[C@@H]1C(=O)NC1(C)CCC1 1446306953 1170567455 /nfs/dbraw/zinc/56/74/55/1170567455.db2.gz FPRBTLDQDHGTTD-SECBINFHSA-N 1 1 196.294 1.139 10 0 ADAEMO CC[N@H+]1CC[C@@H]1C(=O)NC1(C)CCC1 1446306953 1170567459 /nfs/dbraw/zinc/56/74/59/1170567459.db2.gz FPRBTLDQDHGTTD-SECBINFHSA-N 1 1 196.294 1.139 10 0 ADAEMO CC[N@H+]1CC[C@@H]1C(=O)N1CCC1(C)C 1444454680 1170568090 /nfs/dbraw/zinc/56/80/90/1170568090.db2.gz QXAQOHQNLBIOCX-SECBINFHSA-N 1 1 196.294 1.092 10 0 ADAEMO C[C@H]1[C@@H](O)CC[N@H+]1[C@H]1C=CCCC1 1460109212 1170575559 /nfs/dbraw/zinc/57/55/59/1170575559.db2.gz FCXSTZAWNWLKQV-DCAQKATOSA-N 1 1 181.279 1.550 10 0 ADAEMO C[C@H]1[C@@H](O)CC[N@H+]1[C@@H]1C=CCCC1 1460109072 1170575748 /nfs/dbraw/zinc/57/57/48/1170575748.db2.gz FCXSTZAWNWLKQV-AXFHLTTASA-N 1 1 181.279 1.550 10 0 ADAEMO C[C@H]1[C@@H](O)CC[N@H+]1CC1CC(C)(C)C1 1460114761 1170576798 /nfs/dbraw/zinc/57/67/98/1170576798.db2.gz XTYYDXPTLFMDCY-ONGXEEELSA-N 1 1 197.322 1.878 10 0 ADAEMO CC[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 1460779009 1170578022 /nfs/dbraw/zinc/57/80/22/1170578022.db2.gz HJXROIBIJHNWOY-QMMMGPOBSA-N 1 1 179.267 1.424 10 0 ADAEMO C[C@H]1[C@@H](O)CCC[N@H+]1[C@H]1C=CCCC1 1460749427 1170578351 /nfs/dbraw/zinc/57/83/51/1170578351.db2.gz RRJPUUCLNHRVRC-SRVKXCTJSA-N 1 1 195.306 1.940 10 0 ADAEMO CCC[C@@H]1CCC[N@H+]1CC(=O)N(C)C 1460904708 1170578439 /nfs/dbraw/zinc/57/84/39/1170578439.db2.gz XFBCVIXXRQSHRZ-SNVBAGLBSA-N 1 1 198.310 1.339 10 0 ADAEMO CCC[C@H]1CCC[N@H+]1CC(=O)N(C)C 1460904707 1170578600 /nfs/dbraw/zinc/57/86/00/1170578600.db2.gz XFBCVIXXRQSHRZ-JTQLQIEISA-N 1 1 198.310 1.339 10 0 ADAEMO CCC[N@H+]1[C@H](C)CC[C@@H]1CO 1460687557 1170578665 /nfs/dbraw/zinc/57/86/65/1170578665.db2.gz FKPUJUJQHKFMII-RKDXNWHRSA-N 1 1 157.257 1.242 10 0 ADAEMO CC(C)CC[N@H+]1[C@H](C)CC[C@@H]1CO 1460687625 1170579205 /nfs/dbraw/zinc/57/92/05/1170579205.db2.gz JDSMWPVJRKQJHL-GHMZBOCLSA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@H]1[C@@H](O)CCC[N@H+]1[C@@H]1C=CCCC1 1460749430 1170579268 /nfs/dbraw/zinc/57/92/68/1170579268.db2.gz RRJPUUCLNHRVRC-TUAOUCFPSA-N 1 1 195.306 1.940 10 0 ADAEMO C[N@@H+](CCC1CC1)CCn1cnnc1 1460750750 1170579452 /nfs/dbraw/zinc/57/94/52/1170579452.db2.gz HEEJZKRVHIHTGD-UHFFFAOYSA-N 1 1 194.282 1.010 10 0 ADAEMO CC[N@H+]1CC[C@H](c2cnccn2)C1 1460864679 1170579832 /nfs/dbraw/zinc/57/98/32/1170579832.db2.gz VDNGUASVNBLDJD-VIFPVBQESA-N 1 1 177.251 1.286 10 0 ADAEMO CC[N@H+]1CC[C@@H](c2cnccn2)C1 1460864658 1170579857 /nfs/dbraw/zinc/57/98/57/1170579857.db2.gz VDNGUASVNBLDJD-SECBINFHSA-N 1 1 177.251 1.286 10 0 ADAEMO c1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)n[nH]1 1460350754 1170579889 /nfs/dbraw/zinc/57/98/89/1170579889.db2.gz ZXGYZZORAFIUDW-MWLCHTKSSA-N 1 1 191.278 1.784 10 0 ADAEMO CC[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 1460778996 1170580038 /nfs/dbraw/zinc/58/00/38/1170580038.db2.gz HJXROIBIJHNWOY-MRVPVSSYSA-N 1 1 179.267 1.424 10 0 ADAEMO CC[NH+]1CCN(CC(C)(F)F)CC1 1460839228 1170580735 /nfs/dbraw/zinc/58/07/35/1170580735.db2.gz BGOLGKIRBACXHZ-UHFFFAOYSA-N 1 1 192.253 1.279 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@]2(CCOC2=O)C1 1460971362 1170581168 /nfs/dbraw/zinc/58/11/68/1170581168.db2.gz HIIZDLUIQRDPHK-LLVKDONJSA-N 1 1 197.278 1.281 10 0 ADAEMO CC[N@H+]1CCC[C@H](c2cn(C)nn2)C1 1460940578 1170581267 /nfs/dbraw/zinc/58/12/67/1170581267.db2.gz ILHHJRJDJYRNHQ-VIFPVBQESA-N 1 1 194.282 1.014 10 0 ADAEMO C[C@H](O)C[N@H+]1CCCC[C@]12CCOC2 1460958833 1170581413 /nfs/dbraw/zinc/58/14/13/1170581413.db2.gz JYPSVAPMMXZDTL-WDEREUQCSA-N 1 1 199.294 1.012 10 0 ADAEMO C[C@H](O)C[N@H+]1CCCC[C@@]12CCOC2 1460958830 1170581835 /nfs/dbraw/zinc/58/18/35/1170581835.db2.gz JYPSVAPMMXZDTL-QWRGUYRKSA-N 1 1 199.294 1.012 10 0 ADAEMO CC[N@H+]1CCC[C@@H](c2cn(C)nn2)C1 1460940577 1170582563 /nfs/dbraw/zinc/58/25/63/1170582563.db2.gz ILHHJRJDJYRNHQ-SECBINFHSA-N 1 1 194.282 1.014 10 0 ADAEMO CC(C)C[N@H+]1CC[C@]2(CCOC2=O)C1 1460971363 1170582771 /nfs/dbraw/zinc/58/27/71/1170582771.db2.gz HIIZDLUIQRDPHK-NSHDSACASA-N 1 1 197.278 1.281 10 0 ADAEMO CC[N@@H+](C)C[C@]12CCC[C@H]1OCC2 1460969505 1170582994 /nfs/dbraw/zinc/58/29/94/1170582994.db2.gz BJNKOJWCBYJBLE-GHMZBOCLSA-N 1 1 183.295 1.897 10 0 ADAEMO CCCCCNC(=O)[C@H]1CC[N@@H+]1CC 1463631618 1170586464 /nfs/dbraw/zinc/58/64/64/1170586464.db2.gz HBSVGFDCKWDHLY-SNVBAGLBSA-N 1 1 198.310 1.387 10 0 ADAEMO CCCCCNC(=O)[C@H]1CC[N@H+]1CC 1463631618 1170586465 /nfs/dbraw/zinc/58/64/65/1170586465.db2.gz HBSVGFDCKWDHLY-SNVBAGLBSA-N 1 1 198.310 1.387 10 0 ADAEMO CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+]1CC 1464275397 1170587016 /nfs/dbraw/zinc/58/70/16/1170587016.db2.gz WKJRWYSZKMAYNC-UWVGGRQHSA-N 1 1 198.310 1.385 10 0 ADAEMO CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+]1CC 1464275397 1170587020 /nfs/dbraw/zinc/58/70/20/1170587020.db2.gz WKJRWYSZKMAYNC-UWVGGRQHSA-N 1 1 198.310 1.385 10 0 ADAEMO CN(C)C(=O)c1ccc(C[NH+](C)C)o1 1463985234 1170587374 /nfs/dbraw/zinc/58/73/74/1170587374.db2.gz NDAUZXGFWXSEHL-UHFFFAOYSA-N 1 1 196.250 1.043 10 0 ADAEMO CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1CC 1464275412 1170587415 /nfs/dbraw/zinc/58/74/15/1170587415.db2.gz WKJRWYSZKMAYNC-ZJUUUORDSA-N 1 1 198.310 1.385 10 0 ADAEMO CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+]1CC 1464275412 1170587419 /nfs/dbraw/zinc/58/74/19/1170587419.db2.gz WKJRWYSZKMAYNC-ZJUUUORDSA-N 1 1 198.310 1.385 10 0 ADAEMO CCCCCNC(=O)[C@@H]1CC[N@@H+]1CC 1463631601 1170587482 /nfs/dbraw/zinc/58/74/82/1170587482.db2.gz HBSVGFDCKWDHLY-JTQLQIEISA-N 1 1 198.310 1.387 10 0 ADAEMO CCCCCNC(=O)[C@@H]1CC[N@H+]1CC 1463631601 1170587487 /nfs/dbraw/zinc/58/74/87/1170587487.db2.gz HBSVGFDCKWDHLY-JTQLQIEISA-N 1 1 198.310 1.387 10 0 ADAEMO CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1CC 1464275391 1170587627 /nfs/dbraw/zinc/58/76/27/1170587627.db2.gz WKJRWYSZKMAYNC-NXEZZACHSA-N 1 1 198.310 1.385 10 0 ADAEMO CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+]1CC 1464275391 1170587634 /nfs/dbraw/zinc/58/76/34/1170587634.db2.gz WKJRWYSZKMAYNC-NXEZZACHSA-N 1 1 198.310 1.385 10 0 ADAEMO CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+]1CC 1464275406 1170587712 /nfs/dbraw/zinc/58/77/12/1170587712.db2.gz WKJRWYSZKMAYNC-VHSXEESVSA-N 1 1 198.310 1.385 10 0 ADAEMO CCC[C@H](C)NC(=O)[C@H]1CC[N@H+]1CC 1464275406 1170587715 /nfs/dbraw/zinc/58/77/15/1170587715.db2.gz WKJRWYSZKMAYNC-VHSXEESVSA-N 1 1 198.310 1.385 10 0 ADAEMO CCC[N@@H+](C)CC1=NOCC1 1473124113 1170593896 /nfs/dbraw/zinc/59/38/96/1170593896.db2.gz JZMKDHBFLSMHGJ-UHFFFAOYSA-N 1 1 156.229 1.105 10 0 ADAEMO CC(C)C[N@@H+](C)CC1=NOCC1 1473127748 1170594138 /nfs/dbraw/zinc/59/41/38/1170594138.db2.gz UMELGYQOTZBSMY-UHFFFAOYSA-N 1 1 170.256 1.351 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)CCn1cnnc1 1473765677 1170598587 /nfs/dbraw/zinc/59/85/87/1170598587.db2.gz MLWREKRHXSESQC-SNVBAGLBSA-N 1 1 196.298 1.399 10 0 ADAEMO FC[C@@H]1CC[N@@H+](CC2=NOCC2)C1 1473751574 1170598695 /nfs/dbraw/zinc/59/86/95/1170598695.db2.gz PPKGDNQHNNFVHR-QMMMGPOBSA-N 1 1 186.230 1.054 10 0 ADAEMO C[C@H]1C[N@@H+](CC2=NOCC2)C(C)(C)C1 1473756818 1170598877 /nfs/dbraw/zinc/59/88/77/1170598877.db2.gz LWMMWFBANOOPAF-SECBINFHSA-N 1 1 196.294 1.883 10 0 ADAEMO FC[C@H]1CC[N@@H+](CC2=NOCC2)C1 1473751568 1170598969 /nfs/dbraw/zinc/59/89/69/1170598969.db2.gz PPKGDNQHNNFVHR-MRVPVSSYSA-N 1 1 186.230 1.054 10 0 ADAEMO OCC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 1473845767 1170599138 /nfs/dbraw/zinc/59/91/38/1170599138.db2.gz YXHOKDNQMIDGBT-RYUDHWBXSA-N 1 1 195.306 1.489 10 0 ADAEMO CCC[C@H](C)[N@@H+](C)CCn1cnnc1 1473765676 1170599533 /nfs/dbraw/zinc/59/95/33/1170599533.db2.gz MLWREKRHXSESQC-JTQLQIEISA-N 1 1 196.298 1.399 10 0 ADAEMO Cc1nnc(C[N@H+](C)CC2CCC2)[nH]1 1473857623 1170599635 /nfs/dbraw/zinc/59/96/35/1170599635.db2.gz ZIHCRRVPSLKHMH-UHFFFAOYSA-N 1 1 194.282 1.345 10 0 ADAEMO Cc1nnc(C[N@@H+](C)CC2CCC2)[nH]1 1473857623 1170599638 /nfs/dbraw/zinc/59/96/38/1170599638.db2.gz ZIHCRRVPSLKHMH-UHFFFAOYSA-N 1 1 194.282 1.345 10 0 ADAEMO C[C@@H]1C[N@@H+](CC2=NOCC2)C(C)(C)C1 1473756819 1170599773 /nfs/dbraw/zinc/59/97/73/1170599773.db2.gz LWMMWFBANOOPAF-VIFPVBQESA-N 1 1 196.294 1.883 10 0 ADAEMO CC[N@@H+](C)CCCNC(=O)C1(C)CC1 1479770976 1170603784 /nfs/dbraw/zinc/60/37/84/1170603784.db2.gz HOWXSOOFQDRJTJ-UHFFFAOYSA-N 1 1 198.310 1.245 10 0 ADAEMO CCCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1C 1479695269 1170604485 /nfs/dbraw/zinc/60/44/85/1170604485.db2.gz LOCVRQDAVPDIMD-ZJUUUORDSA-N 1 1 198.310 1.385 10 0 ADAEMO CCC(=O)NCC[N@@H+](C)CC1CCC1 1480834912 1170604514 /nfs/dbraw/zinc/60/45/14/1170604514.db2.gz GQAMPIHGCXJMFL-UHFFFAOYSA-N 1 1 198.310 1.245 10 0 ADAEMO CCC(=O)NCC[N@@H+](C)CC=C(C)C 1480835168 1170604627 /nfs/dbraw/zinc/60/46/27/1170604627.db2.gz JLNAIPQZGSPODY-UHFFFAOYSA-N 1 1 198.310 1.411 10 0 ADAEMO CCCCC[NH+]1CC(NC(=O)CC)C1 1494333241 1170605456 /nfs/dbraw/zinc/60/54/56/1170605456.db2.gz QSKISHNJBSRMCJ-UHFFFAOYSA-N 1 1 198.310 1.387 10 0 ADAEMO C/C=C(\C)C(=O)N(C)CC[N@H+](C)CC 1496688356 1170605589 /nfs/dbraw/zinc/60/55/89/1170605589.db2.gz ZHLMIGUUDOZWDF-UXBLZVDNSA-N 1 1 198.310 1.363 10 0 ADAEMO C/C=C(/C)C(=O)N(C)CC[N@H+](C)CC 1496688355 1170606556 /nfs/dbraw/zinc/60/65/56/1170606556.db2.gz ZHLMIGUUDOZWDF-POHAHGRESA-N 1 1 198.310 1.363 10 0 ADAEMO CCCCC[N@H+]1CC[C@@H]1CNC(C)=O 1483621408 1170606596 /nfs/dbraw/zinc/60/65/96/1170606596.db2.gz HFUYPPABDOFWKQ-LLVKDONJSA-N 1 1 198.310 1.387 10 0 ADAEMO CC(C)C[N@@H+](C)CCNC(=O)C1CC1 1492181797 1170606785 /nfs/dbraw/zinc/60/67/85/1170606785.db2.gz IXULNHKQBBJOKL-UHFFFAOYSA-N 1 1 198.310 1.100 10 0 ADAEMO CCC(=O)NCC1=CC[N@@H+](CC)CC1 1486500453 1170606820 /nfs/dbraw/zinc/60/68/20/1170606820.db2.gz VTCBNPAOJPRSML-UHFFFAOYSA-N 1 1 196.294 1.165 10 0 ADAEMO CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C 1485339078 1170606994 /nfs/dbraw/zinc/60/69/94/1170606994.db2.gz WECZDUDIHGMHSE-OPRDCNLKSA-N 1 1 198.310 1.099 10 0 ADAEMO CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1C 1485339077 1170607072 /nfs/dbraw/zinc/60/70/72/1170607072.db2.gz WECZDUDIHGMHSE-KXUCPTDWSA-N 1 1 198.310 1.099 10 0 ADAEMO CCCCC[N@H+]1CC[C@H]1CNC(C)=O 1483621414 1170607699 /nfs/dbraw/zinc/60/76/99/1170607699.db2.gz HFUYPPABDOFWKQ-NSHDSACASA-N 1 1 198.310 1.387 10 0 ADAEMO CC[N@@H+](C)CCNC(=O)C1CC(C)C1 1492222184 1170607720 /nfs/dbraw/zinc/60/77/20/1170607720.db2.gz GNEPCPZHFKNDKW-UHFFFAOYSA-N 1 1 198.310 1.100 10 0 ADAEMO CC(=O)NC[C@H](C)[N@@H+](C)CC=C(C)C 1505852419 1170609530 /nfs/dbraw/zinc/60/95/30/1170609530.db2.gz NEKNEGCAPKTWFH-JTQLQIEISA-N 1 1 198.310 1.409 10 0 ADAEMO CC(=O)NC[C@@H](C)[N@@H+](C)CC=C(C)C 1505852420 1170610739 /nfs/dbraw/zinc/61/07/39/1170610739.db2.gz NEKNEGCAPKTWFH-SNVBAGLBSA-N 1 1 198.310 1.409 10 0 ADAEMO CCNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 1540354659 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RBIHUQXJZQGMNZ-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO C[NH2+]C[C@@H](C)[C@H]1CCCC[N@H+]1C 213856493 571678402 /nfs/dbraw/zinc/67/84/02/571678402.db2.gz BLFWMZSHUVORMP-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)[C@@H](C[NH3+])[C@H]1CCC[N@H+]1C 213857167 571678415 /nfs/dbraw/zinc/67/84/15/571678415.db2.gz LSNRGZOWIYBOGZ-NXEZZACHSA-N 1 1 170.300 1.312 10 0 ADAEMO CC[C@H](N)[C@@H]1CCCCC[N@H+]1C 213854407 571678445 /nfs/dbraw/zinc/67/84/45/571678445.db2.gz UMDURYZSJIIZDZ-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO C1CSC[N@@H+](CC2CC2)C1 687798438 571678565 /nfs/dbraw/zinc/67/85/65/571678565.db2.gz TUTMKUSXGSKGTK-UHFFFAOYSA-N 1 1 157.282 1.793 10 0 ADAEMO CC[C@H](N)[C@H]1CCCCC[N@H+]1C 213854526 571678753 /nfs/dbraw/zinc/67/87/53/571678753.db2.gz UMDURYZSJIIZDZ-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)[C@H](C[NH3+])[C@H]1CCC[N@H+]1C 213857225 571678777 /nfs/dbraw/zinc/67/87/77/571678777.db2.gz LSNRGZOWIYBOGZ-VHSXEESVSA-N 1 1 170.300 1.312 10 0 ADAEMO CCC[N@@H+](C)CCC(C)=O 37098683 571678791 /nfs/dbraw/zinc/67/87/91/571678791.db2.gz ALUSBKXZMIRVQQ-UHFFFAOYSA-N 1 1 143.230 1.307 10 0 ADAEMO C[NH2+]C[C@H](C(C)C)[C@H]1CC[N@H+]1C 213857667 571679000 /nfs/dbraw/zinc/67/90/00/571679000.db2.gz YLJFJLKZGYMWQL-NXEZZACHSA-N 1 1 170.300 1.182 10 0 ADAEMO C[NH2+]C[C@H](C(C)C)[C@H]1CCN1C 213857667 571679003 /nfs/dbraw/zinc/67/90/03/571679003.db2.gz YLJFJLKZGYMWQL-NXEZZACHSA-N 1 1 170.300 1.182 10 0 ADAEMO C[C@H](CCCO)[C@H]1CC[N@@H+](C)C1 213874736 571681341 /nfs/dbraw/zinc/68/13/41/571681341.db2.gz YKMYDQPJMPIGLG-ZJUUUORDSA-N 1 1 171.284 1.347 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@H](CCO)C1 51916557 571679104 /nfs/dbraw/zinc/67/91/04/571679104.db2.gz LSZPEXYWADWSRN-KXMPLOMGSA-N 1 1 183.295 1.657 10 0 ADAEMO CCC[N@@H+](CC)[C@@H](C)CN 37094602 571679196 /nfs/dbraw/zinc/67/91/96/571679196.db2.gz YAVXKFSKDQQZLX-QMMMGPOBSA-N 1 1 144.262 1.066 10 0 ADAEMO CCCN(CC)[C@@H](C)C[NH3+] 37094602 571679198 /nfs/dbraw/zinc/67/91/98/571679198.db2.gz YAVXKFSKDQQZLX-QMMMGPOBSA-N 1 1 144.262 1.066 10 0 ADAEMO C[NH2+]C[C@@H](C(C)C)[C@H]1CC[N@H+]1C 213857726 571679143 /nfs/dbraw/zinc/67/91/43/571679143.db2.gz YLJFJLKZGYMWQL-VHSXEESVSA-N 1 1 170.300 1.182 10 0 ADAEMO C[NH2+]C[C@@H](C(C)C)[C@H]1CCN1C 213857726 571679147 /nfs/dbraw/zinc/67/91/47/571679147.db2.gz YLJFJLKZGYMWQL-VHSXEESVSA-N 1 1 170.300 1.182 10 0 ADAEMO C[C@H](F)Cc1ccccc1C(=O)C[NH3+] 213856805 571679207 /nfs/dbraw/zinc/67/92/07/571679207.db2.gz ATJFCSFCWNGWGF-QMMMGPOBSA-N 1 1 195.237 1.729 10 0 ADAEMO CC[C@@H](N)[C@@H]1CCCCC[N@H+]1C 213854465 571679215 /nfs/dbraw/zinc/67/92/15/571679215.db2.gz UMDURYZSJIIZDZ-ZJUUUORDSA-N 1 1 170.300 1.598 10 0 ADAEMO C[NH2+]C[C@H](C)[C@H]1CCCC[N@H+]1C 213856432 571679259 /nfs/dbraw/zinc/67/92/59/571679259.db2.gz BLFWMZSHUVORMP-VHSXEESVSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)c1c(C(=O)[C@H](C)[NH3+])ncn1C 213877778 571680841 /nfs/dbraw/zinc/68/08/41/571680841.db2.gz XIJAKIHNTLKOLY-ZETCQYMHSA-N 1 1 195.266 1.073 10 0 ADAEMO CC[C@@H](CCO)[C@H]1CC[N@@H+](C)C1 213874443 571679487 /nfs/dbraw/zinc/67/94/87/571679487.db2.gz RQCIZSLQAPVIBN-UWVGGRQHSA-N 1 1 171.284 1.347 10 0 ADAEMO CC[C@@H](CCO)[C@@H]1CCC[N@H+]1C 213872261 571679544 /nfs/dbraw/zinc/67/95/44/571679544.db2.gz JVBQRNMCYBVLIW-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@@H](CCCO)[C@@H]1CCC[N@H+]1C 213872518 571680844 /nfs/dbraw/zinc/68/08/44/571680844.db2.gz UTBBXARSUAMTTJ-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@@H](CCO)[C@H]1CCC[N@H+]1C 213872373 571679598 /nfs/dbraw/zinc/67/95/98/571679598.db2.gz JVBQRNMCYBVLIW-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO C[NH2+]CC[C@H](C)[N@H+]1CCCC[C@H]1C 52378719 571679645 /nfs/dbraw/zinc/67/96/45/571679645.db2.gz QHDZJLREYXTQDE-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO C[C@@H](CCCO)[C@H]1CCC[N@H+]1C 213872628 571679656 /nfs/dbraw/zinc/67/96/56/571679656.db2.gz UTBBXARSUAMTTJ-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO CCC[N@@H+](CC)[C@H](C)CN 37094603 571679723 /nfs/dbraw/zinc/67/97/23/571679723.db2.gz YAVXKFSKDQQZLX-MRVPVSSYSA-N 1 1 144.262 1.066 10 0 ADAEMO CCCN(CC)[C@H](C)C[NH3+] 37094603 571679725 /nfs/dbraw/zinc/67/97/25/571679725.db2.gz YAVXKFSKDQQZLX-MRVPVSSYSA-N 1 1 144.262 1.066 10 0 ADAEMO CC[C@@H](CO)[C@H]1CCCC[N@H+]1C 213871555 571679753 /nfs/dbraw/zinc/67/97/53/571679753.db2.gz LAYLHASWPNORFQ-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO CCC[N@@H+](CCN)C(C)C 37095668 571679802 /nfs/dbraw/zinc/67/98/02/571679802.db2.gz YCCRRIYVKYVTHT-UHFFFAOYSA-N 1 1 144.262 1.066 10 0 ADAEMO CCCN(CC[NH3+])C(C)C 37095668 571679804 /nfs/dbraw/zinc/67/98/04/571679804.db2.gz YCCRRIYVKYVTHT-UHFFFAOYSA-N 1 1 144.262 1.066 10 0 ADAEMO C[NH2+][C@@H](C(F)F)C1(C)CC1 687798448 571679837 /nfs/dbraw/zinc/67/98/37/571679837.db2.gz YCOYKGWLDMJGNK-YFKPBYRVSA-N 1 1 149.184 1.640 10 0 ADAEMO CC[C@@H](CO)[C@@H]1CCC[N@@H+](C)C1 213873586 571679849 /nfs/dbraw/zinc/67/98/49/571679849.db2.gz YZZIKHRDDRSIRI-VHSXEESVSA-N 1 1 171.284 1.347 10 0 ADAEMO CC[C@H](CO)[C@H]1CCC[N@@H+](C)C1 213873758 571680033 /nfs/dbraw/zinc/68/00/33/571680033.db2.gz YZZIKHRDDRSIRI-ZJUUUORDSA-N 1 1 171.284 1.347 10 0 ADAEMO C[C@H](CCCO)[C@@H]1CCC[N@H+]1C 213872575 571680111 /nfs/dbraw/zinc/68/01/11/571680111.db2.gz UTBBXARSUAMTTJ-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@H](CCO)[C@H]1CCC[N@H+]1C 213872432 571680128 /nfs/dbraw/zinc/68/01/28/571680128.db2.gz JVBQRNMCYBVLIW-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@@H](C[NH2+]C1CC1)[N@H+]1CC[C@H](C)C1 52484326 571680146 /nfs/dbraw/zinc/68/01/46/571680146.db2.gz AVMRWMRGCHKYQW-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H](C[NH2+]C1CC1)N1CC[C@H](C)C1 52484326 571680148 /nfs/dbraw/zinc/68/01/48/571680148.db2.gz AVMRWMRGCHKYQW-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[N@@H+](CC)CC(N)=S 37095077 571680157 /nfs/dbraw/zinc/68/01/57/571680157.db2.gz LPGBRVPFVAEFKQ-UHFFFAOYSA-N 1 1 160.286 1.004 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H](C)CC[NH2+]C2CC2)C1 52484745 571680188 /nfs/dbraw/zinc/68/01/88/571680188.db2.gz KNAHHOIOWUCCMX-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[NH2+]C[C@H](CC)N1CC[C@H](C)C1 52484320 571680219 /nfs/dbraw/zinc/68/02/19/571680219.db2.gz UVUJOFWESDJIEY-QWRGUYRKSA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@H](CCO)[C@H]1CCC[N@@H+](C)C1 213873997 571680240 /nfs/dbraw/zinc/68/02/40/571680240.db2.gz SURYNKMGUIGAIS-ZJUUUORDSA-N 1 1 171.284 1.347 10 0 ADAEMO COc1cc(NCC(C)C)c(N)c[nH+]1 213875670 571680284 /nfs/dbraw/zinc/68/02/84/571680284.db2.gz KWIFMAIUUVNULG-UHFFFAOYSA-N 1 1 195.266 1.740 10 0 ADAEMO C[NH2+]C[C@H](C)C[N@H+]1CCC[C@H](C)C1 52381161 571680299 /nfs/dbraw/zinc/68/02/99/571680299.db2.gz XVIBMDSPRZQAAH-QWRGUYRKSA-N 1 1 184.327 1.574 10 0 ADAEMO C[C@@H](CCO)[C@@H]1CCCC[N@H+]1C 213871725 571680303 /nfs/dbraw/zinc/68/03/03/571680303.db2.gz QAOQMCFVQXEULJ-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC(C)[C@H](CCO)[C@H]1CC[N@H+]1C 213872933 571680329 /nfs/dbraw/zinc/68/03/29/571680329.db2.gz KFGWSQIPXNOXLD-VHSXEESVSA-N 1 1 171.284 1.345 10 0 ADAEMO CC[C@@H](CO)[C@H]1CCC[N@@H+](C)C1 213873702 571680338 /nfs/dbraw/zinc/68/03/38/571680338.db2.gz YZZIKHRDDRSIRI-UWVGGRQHSA-N 1 1 171.284 1.347 10 0 ADAEMO C[C@@H](CCCO)[C@H]1CC[N@@H+](C)C1 213874685 571680342 /nfs/dbraw/zinc/68/03/42/571680342.db2.gz YKMYDQPJMPIGLG-UWVGGRQHSA-N 1 1 171.284 1.347 10 0 ADAEMO C[C@H](CO)[C@H]1CCC[N@@H+](C)CC1 213873385 571680390 /nfs/dbraw/zinc/68/03/90/571680390.db2.gz MJQSJQYZWXDLAJ-ZJUUUORDSA-N 1 1 171.284 1.347 10 0 ADAEMO C[C@H](CCO)[C@@H]1CCCC[N@H+]1C 213871786 571680395 /nfs/dbraw/zinc/68/03/95/571680395.db2.gz QAOQMCFVQXEULJ-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@H](CO)[C@H]1CCCCC[N@H+]1C 213871363 571680439 /nfs/dbraw/zinc/68/04/39/571680439.db2.gz ACBRMUGUVYXGBX-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC(C)[C@@H](CCO)[C@H]1CC[N@H+]1C 213872882 571680515 /nfs/dbraw/zinc/68/05/15/571680515.db2.gz KFGWSQIPXNOXLD-NXEZZACHSA-N 1 1 171.284 1.345 10 0 ADAEMO CC[NH2+]CC[C@H](C)[N@H+]1CC[C@H](C)C1 52484734 571680561 /nfs/dbraw/zinc/68/05/61/571680561.db2.gz WFLFXEKTMSYZRV-QWRGUYRKSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@H](CCCO)[C@H]1CC[N@H+]1C 213873152 571680604 /nfs/dbraw/zinc/68/06/04/571680604.db2.gz DYRFODIKWFEVGJ-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO COc1[nH+]ccc(NC(C)(C)C)c1N 213875240 571680683 /nfs/dbraw/zinc/68/06/83/571680683.db2.gz SYXHKYIWPZPTCS-UHFFFAOYSA-N 1 1 195.266 1.883 10 0 ADAEMO C[C@@H](CO)[C@H]1CCCCC[N@H+]1C 213871295 571680691 /nfs/dbraw/zinc/68/06/91/571680691.db2.gz ACBRMUGUVYXGBX-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO C[NH2+][C@H](C(F)F)C1(C)CC1 687798447 571680696 /nfs/dbraw/zinc/68/06/96/571680696.db2.gz YCOYKGWLDMJGNK-RXMQYKEDSA-N 1 1 149.184 1.640 10 0 ADAEMO C[NH2+]C[C@H](C)C[N@@H+](C)[C@H](C)C(C)C 52478375 571680706 /nfs/dbraw/zinc/68/07/06/571680706.db2.gz CBNVYZUWRVDOBH-WDEREUQCSA-N 1 1 186.343 1.818 10 0 ADAEMO C[C@@H]1CC(=O)C[C@H]2CCCC[N@@H+]12 1578707 571680754 /nfs/dbraw/zinc/68/07/54/571680754.db2.gz GDQCWCOVKFXWMP-RKDXNWHRSA-N 1 1 167.252 1.592 10 0 endogenous,in-man ADAEMO CC[C@@H](CCO)[C@@H]1CC[N@@H+](C)C1 213874346 571680758 /nfs/dbraw/zinc/68/07/58/571680758.db2.gz RQCIZSLQAPVIBN-VHSXEESVSA-N 1 1 171.284 1.347 10 0 ADAEMO COc1cc(NC(C)(C)C)c(N)c[nH+]1 213875755 571680795 /nfs/dbraw/zinc/68/07/95/571680795.db2.gz OBZJUVZBDCMXBS-UHFFFAOYSA-N 1 1 195.266 1.883 10 0 ADAEMO C[C@H]1CC(=O)C[C@H]2CCCC[N@@H+]12 1578706 571680816 /nfs/dbraw/zinc/68/08/16/571680816.db2.gz GDQCWCOVKFXWMP-DTWKUNHWSA-N 1 1 167.252 1.592 10 0 endogenous,in-man ADAEMO CC[C@@H](CCCO)[C@H]1CC[N@H+]1C 213873106 571680897 /nfs/dbraw/zinc/68/08/97/571680897.db2.gz DYRFODIKWFEVGJ-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO CC(C)[C@H](CO)[C@H]1CCC[N@H+]1C 213872174 571680930 /nfs/dbraw/zinc/68/09/30/571680930.db2.gz FVFBZWASOMGDST-VHSXEESVSA-N 1 1 171.284 1.345 10 0 ADAEMO C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](C)C1 52484421 571680947 /nfs/dbraw/zinc/68/09/47/571680947.db2.gz RNDOWENPQYEGAE-UWVGGRQHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@H](CO)[C@@H]1CCC[N@@H+](C)C1 213873643 571680999 /nfs/dbraw/zinc/68/09/99/571680999.db2.gz YZZIKHRDDRSIRI-NXEZZACHSA-N 1 1 171.284 1.347 10 0 ADAEMO CC[C@H](C[NH2+]C)[N@H+]1CC[C@H](C)C1 52484319 571681000 /nfs/dbraw/zinc/68/10/00/571681000.db2.gz HPFUHCISQIQWDN-VHSXEESVSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@H](C[NH2+]C)N1CC[C@H](C)C1 52484319 571681005 /nfs/dbraw/zinc/68/10/05/571681005.db2.gz HPFUHCISQIQWDN-VHSXEESVSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)[C@H](CCO)[C@@H]1CC[N@H+]1C 213872812 571681319 /nfs/dbraw/zinc/68/13/19/571681319.db2.gz KFGWSQIPXNOXLD-UWVGGRQHSA-N 1 1 171.284 1.345 10 0 ADAEMO COc1[nH+]ccc(NCC(C)C)c1N 213875150 571680980 /nfs/dbraw/zinc/68/09/80/571680980.db2.gz KOUWJDRUQHQNMX-UHFFFAOYSA-N 1 1 195.266 1.740 10 0 ADAEMO CC[C@H](CCO)[C@@H]1CC[N@@H+](C)C1 213874398 571681143 /nfs/dbraw/zinc/68/11/43/571681143.db2.gz RQCIZSLQAPVIBN-NXEZZACHSA-N 1 1 171.284 1.347 10 0 ADAEMO C[C@H](CCCO)[C@@H]1CC[N@@H+](C)C1 213874633 571681235 /nfs/dbraw/zinc/68/12/35/571681235.db2.gz YKMYDQPJMPIGLG-NXEZZACHSA-N 1 1 171.284 1.347 10 0 ADAEMO CC(C)c1c(C(=O)[C@@H](C)[NH3+])ncn1C 213877716 571681271 /nfs/dbraw/zinc/68/12/71/571681271.db2.gz XIJAKIHNTLKOLY-SSDOTTSWSA-N 1 1 195.266 1.073 10 0 ADAEMO CC[C@H](CO)[C@H]1CCCC[N@H+]1C 213871635 571681393 /nfs/dbraw/zinc/68/13/93/571681393.db2.gz LAYLHASWPNORFQ-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[NH2+]C[C@H](C)C[N@H+]1CC[C@H](C)C1 52484335 571681396 /nfs/dbraw/zinc/68/13/96/571681396.db2.gz PANJWSUWRUGXEI-QWRGUYRKSA-N 1 1 184.327 1.574 10 0 ADAEMO CC[C@H](O)[C@@H]1CCCCC[N@H+]1C 213870928 571681475 /nfs/dbraw/zinc/68/14/75/571681475.db2.gz DQPYVTGBFQUFRX-UWVGGRQHSA-N 1 1 171.284 1.632 10 0 ADAEMO CC[C@H](CCO)[C@@H]1CCC[N@H+]1C 213872316 571681545 /nfs/dbraw/zinc/68/15/45/571681545.db2.gz JVBQRNMCYBVLIW-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[NH2+]C[C@H](C)C[N@@H+](C)[C@H](C)CC 52444002 571681601 /nfs/dbraw/zinc/68/16/01/571681601.db2.gz OBNBRXBPPUOLKU-WDEREUQCSA-N 1 1 186.343 1.962 10 0 ADAEMO C[C@@H](CCO)[C@H]1CCCC[N@H+]1C 213871841 571681610 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1 182.311 1.598 10 0 ADAEMO CC[C@@](CN)(COC)[N@@H+](C)C(C)C 70624529 571702137 /nfs/dbraw/zinc/70/21/37/571702137.db2.gz SUQJSGOLMHLLDC-SNVBAGLBSA-N 1 1 188.315 1.081 10 0 ADAEMO CCC1([C@H]2[C@@H](N)CC[N@H+]2C)CCC1 712126279 571702140 /nfs/dbraw/zinc/70/21/40/571702140.db2.gz AQISNVUADCIEJB-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO CCC1([C@H]2[C@@H]([NH3+])CCN2C)CCC1 712126279 571702143 /nfs/dbraw/zinc/70/21/43/571702143.db2.gz AQISNVUADCIEJB-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@](C[NH3+])(COC)N(C)C(C)C 70624529 571702144 /nfs/dbraw/zinc/70/21/44/571702144.db2.gz SUQJSGOLMHLLDC-SNVBAGLBSA-N 1 1 188.315 1.081 10 0 ADAEMO CC[C@](CN)(COC)[N@@H+](C)C(C)C 70624530 571702381 /nfs/dbraw/zinc/70/23/81/571702381.db2.gz SUQJSGOLMHLLDC-JTQLQIEISA-N 1 1 188.315 1.081 10 0 ADAEMO CC[C@](C[NH3+])(COC)N(C)C(C)C 70624530 571702391 /nfs/dbraw/zinc/70/23/91/571702391.db2.gz SUQJSGOLMHLLDC-JTQLQIEISA-N 1 1 188.315 1.081 10 0 ADAEMO CCC[N@H+]1C[C@H](N)C[C@@H](CC2CC2)C1 250065297 571702474 /nfs/dbraw/zinc/70/24/74/571702474.db2.gz YDQOBUXXKCDWEZ-VXGBXAGGSA-N 1 1 196.338 1.846 10 0 ADAEMO CCCN1C[C@H]([NH3+])C[C@@H](CC2CC2)C1 250065297 571702478 /nfs/dbraw/zinc/70/24/78/571702478.db2.gz YDQOBUXXKCDWEZ-VXGBXAGGSA-N 1 1 196.338 1.846 10 0 ADAEMO C[N@@H+]1CC[C@H](N)[C@@H]1C1(C)CCCCC1 712120506 571702692 /nfs/dbraw/zinc/70/26/92/571702692.db2.gz JPHTWIRHODICTK-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@H+]1CC[C@H](N)[C@@H]1C1(C)CCCCC1 712120506 571702693 /nfs/dbraw/zinc/70/26/93/571702693.db2.gz JPHTWIRHODICTK-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CN1CC[C@H]([NH3+])[C@@H]1C1(C)CCCCC1 712120506 571702695 /nfs/dbraw/zinc/70/26/95/571702695.db2.gz JPHTWIRHODICTK-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H](COC)Nc1ccc(N)[nH+]c1 70625071 571702734 /nfs/dbraw/zinc/70/27/34/571702734.db2.gz JKDSZZJJFVAVML-QMMMGPOBSA-N 1 1 195.266 1.501 10 0 ADAEMO CC[C@H](COC)Nc1ccc(N)[nH+]c1 70625072 571702741 /nfs/dbraw/zinc/70/27/41/571702741.db2.gz JKDSZZJJFVAVML-MRVPVSSYSA-N 1 1 195.266 1.501 10 0 ADAEMO C[N@@H+]1CC[C@H](N)[C@H]1C1(C)CCCCC1 712120504 571702978 /nfs/dbraw/zinc/70/29/78/571702978.db2.gz JPHTWIRHODICTK-QWRGUYRKSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@H+]1CC[C@H](N)[C@H]1C1(C)CCCCC1 712120504 571702981 /nfs/dbraw/zinc/70/29/81/571702981.db2.gz JPHTWIRHODICTK-QWRGUYRKSA-N 1 1 196.338 1.988 10 0 ADAEMO CN1CC[C@H]([NH3+])[C@H]1C1(C)CCCCC1 712120504 571702991 /nfs/dbraw/zinc/70/29/91/571702991.db2.gz JPHTWIRHODICTK-QWRGUYRKSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@@H+]1CC[C@@H](N)[C@@]12CCCC2(C)C 712123554 571703045 /nfs/dbraw/zinc/70/30/45/571703045.db2.gz PTHMJDFDPYQHBS-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CC[C@@H](N)[C@@]12CCCC2(C)C 712123554 571703049 /nfs/dbraw/zinc/70/30/49/571703049.db2.gz PTHMJDFDPYQHBS-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CC[C@@](O)(CCCC(F)F)C1 687893882 571703173 /nfs/dbraw/zinc/70/31/73/571703173.db2.gz ZBYHKGRKKXSQOR-VIFPVBQESA-N 1 1 193.237 1.488 10 0 ADAEMO CC(C)[C@@H](O)[C@H]1CCC[N@@H+](C)CC1 214073716 571703235 /nfs/dbraw/zinc/70/32/35/571703235.db2.gz JRLZKNPRYMITPD-WDEREUQCSA-N 1 1 185.311 1.735 10 0 ADAEMO CCC(C)(C)[C@H](N)C[NH+](C)C 22860367 571703386 /nfs/dbraw/zinc/70/33/86/571703386.db2.gz BTDMONKFGHJDGV-MRVPVSSYSA-N 1 1 158.289 1.312 10 0 ADAEMO CCC[N@H+]1CC[C@H](C)NC[C@H]1C 250046650 571703737 /nfs/dbraw/zinc/70/37/37/571703737.db2.gz VISHEYFZTDEXEQ-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CCCN1CC[C@H](C)[NH2+]C[C@H]1C 250046650 571703740 /nfs/dbraw/zinc/70/37/40/571703740.db2.gz VISHEYFZTDEXEQ-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CC(C)[C@H](O)[C@@H]1CCC[N@@H+](C)CC1 214073543 571703806 /nfs/dbraw/zinc/70/38/06/571703806.db2.gz JRLZKNPRYMITPD-MNOVXSKESA-N 1 1 185.311 1.735 10 0 ADAEMO CCC[N@H+]1CC[C@@H](C)NC[C@H]1C 250046644 571703845 /nfs/dbraw/zinc/70/38/45/571703845.db2.gz VISHEYFZTDEXEQ-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CCCN1CC[C@@H](C)[NH2+]C[C@H]1C 250046644 571703848 /nfs/dbraw/zinc/70/38/48/571703848.db2.gz VISHEYFZTDEXEQ-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC(C)[C@@H](O)[C@@H]1CCC[N@@H+](C)CC1 214073603 571704866 /nfs/dbraw/zinc/70/48/66/571704866.db2.gz JRLZKNPRYMITPD-GHMZBOCLSA-N 1 1 185.311 1.735 10 0 ADAEMO C[N@@H+]1CC[C@@H](N)[C@H]1C1(C)CCCCC1 712120501 571703944 /nfs/dbraw/zinc/70/39/44/571703944.db2.gz JPHTWIRHODICTK-MNOVXSKESA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@H+]1CC[C@@H](N)[C@H]1C1(C)CCCCC1 712120501 571703946 /nfs/dbraw/zinc/70/39/46/571703946.db2.gz JPHTWIRHODICTK-MNOVXSKESA-N 1 1 196.338 1.988 10 0 ADAEMO CN1CC[C@@H]([NH3+])[C@H]1C1(C)CCCCC1 712120501 571703949 /nfs/dbraw/zinc/70/39/49/571703949.db2.gz JPHTWIRHODICTK-MNOVXSKESA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)[C@H](O)[C@H]1CCC[N@@H+](C)CC1 214073659 571704057 /nfs/dbraw/zinc/70/40/57/571704057.db2.gz JRLZKNPRYMITPD-QWRGUYRKSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@H](COC)[N@H+]1CCC(=O)C[C@@H]1C 70625943 571704103 /nfs/dbraw/zinc/70/41/03/571704103.db2.gz ZGYOAAVDCMLVGA-VHSXEESVSA-N 1 1 199.294 1.465 10 0 ADAEMO CC[N@@H+](C)[C@@H]1C[C@@H](O)CC(C)(C)C1 250059837 571704257 /nfs/dbraw/zinc/70/42/57/571704257.db2.gz OWEXYYZWCKUHFG-NXEZZACHSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[C@@H](COC)[N@H+]1CCC(=O)C[C@@H]1C 70625942 571704384 /nfs/dbraw/zinc/70/43/84/571704384.db2.gz ZGYOAAVDCMLVGA-UWVGGRQHSA-N 1 1 199.294 1.465 10 0 ADAEMO CCC[C@@H](COC)[NH2+]CC(F)F 70625786 571705246 /nfs/dbraw/zinc/70/52/46/571705246.db2.gz VVXPDRMJIKLVGN-ZETCQYMHSA-N 1 1 181.226 1.656 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H](N)[C@@H]1[C@@H]1C[C@@H]1C 712133827 571705344 /nfs/dbraw/zinc/70/53/44/571705344.db2.gz OFJJNVCVYSBHGY-SVNGYHJRSA-N 1 1 196.338 1.843 10 0 ADAEMO CC(C)[C@@H](N)[C@H]1CCCCC[N@H+]1C 214033755 571705383 /nfs/dbraw/zinc/70/53/83/571705383.db2.gz CRTBLHCREVBKSY-GHMZBOCLSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[C@@H]([NH3+])[C@H]1CCCCCN1C 214033755 571705386 /nfs/dbraw/zinc/70/53/86/571705386.db2.gz CRTBLHCREVBKSY-GHMZBOCLSA-N 1 1 184.327 1.844 10 0 ADAEMO C[NH2+][C@H](C(C)C)[C@H]1CCCN(C)C1 214036806 571705885 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CRTBLHCREVBKSY-QWRGUYRKSA-N 1 1 184.327 1.844 10 0 ADAEMO C[NH2+][C@@H](C(C)C)[C@@H]1CCCN(C)C1 214036642 571706403 /nfs/dbraw/zinc/70/64/03/571706403.db2.gz ZBBVKILKIQWKNI-MNOVXSKESA-N 1 1 184.327 1.572 10 0 ADAEMO C[NH2+][C@H](C(C)C)[C@@H]1CCCN(C)C1 214036698 571706505 /nfs/dbraw/zinc/70/65/05/571706505.db2.gz ZBBVKILKIQWKNI-GHMZBOCLSA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)[C@H](N)[C@H]1CCCCC[N@H+]1C 214033694 571706592 /nfs/dbraw/zinc/70/65/92/571706592.db2.gz CRTBLHCREVBKSY-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[C@H]([NH3+])[C@H]1CCCCCN1C 214033694 571706594 /nfs/dbraw/zinc/70/65/94/571706594.db2.gz CRTBLHCREVBKSY-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@H]1[C@@H](N)CC[N@@H+]1CC 22943676 571707294 /nfs/dbraw/zinc/70/72/94/571707294.db2.gz PHQCPBIUGJMVFV-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H]1[C@@H](N)CC[N@H+]1CC 22943676 571707297 /nfs/dbraw/zinc/70/72/97/571707297.db2.gz PHQCPBIUGJMVFV-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO 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/nfs/dbraw/zinc/70/82/61/571708261.db2.gz DRZRFAWBYWREBD-QWRGUYRKSA-N 1 1 185.311 1.879 10 0 ADAEMO CC(C)[C@@H](CO)[C@@H]1CCCC[N@H+]1C 214059061 571708270 /nfs/dbraw/zinc/70/82/70/571708270.db2.gz RHMJZBJXQQJATK-MNOVXSKESA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)[C@H](CO)[C@@H]1CCC[N@@H+](C)C1 214061528 571708284 /nfs/dbraw/zinc/70/82/84/571708284.db2.gz PRYPTOWUMATINB-MNOVXSKESA-N 1 1 185.311 1.593 10 0 ADAEMO COC(=O)C[NH2+][C@H]1CCCC(C)(C)C1 70628906 571708326 /nfs/dbraw/zinc/70/83/26/571708326.db2.gz PIPMJIHZFUOCIC-VIFPVBQESA-N 1 1 199.294 1.718 10 0 ADAEMO COC(=O)C[NH2+][C@@H]1CCCC(C)(C)C1 70628907 571708187 /nfs/dbraw/zinc/70/81/87/571708187.db2.gz PIPMJIHZFUOCIC-SECBINFHSA-N 1 1 199.294 1.718 10 0 ADAEMO CC(C)[C@H](CCCO)[C@H]1CC[N@H+]1C 214060449 571708349 /nfs/dbraw/zinc/70/83/49/571708349.db2.gz IBSLBPDGQAAXAY-WDEREUQCSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@H](CO)[C@@H]1CCC[N@@H+](C)CC1 214060594 571708469 /nfs/dbraw/zinc/70/84/69/571708469.db2.gz OYSSRCLCYVKSAY-GHMZBOCLSA-N 1 1 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UZMHEJNPKCYBIM-SECBINFHSA-N 1 1 196.298 1.373 10 0 ADAEMO CCCC[C@@H](C)[NH2+]CCc1nc[nH]n1 70646134 571721693 /nfs/dbraw/zinc/72/16/93/571721693.db2.gz QCKCHEAKAFMTMP-SECBINFHSA-N 1 1 196.298 1.516 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H]1CNCC1(C)CCC1 235287014 571721749 /nfs/dbraw/zinc/72/17/49/571721749.db2.gz VGSZZIPJZXRODB-MNOVXSKESA-N 1 1 196.338 1.764 10 0 ADAEMO CCO[C@@H](C)c1noc([C@@H](C)[NH2+]C)n1 70648445 571721892 /nfs/dbraw/zinc/72/18/92/571721892.db2.gz PJKAZQPGHWIQFG-RQJHMYQMSA-N 1 1 199.254 1.448 10 0 ADAEMO CCCCC[NH2+]CCCc1nc[nH]n1 70645977 571721964 /nfs/dbraw/zinc/72/19/64/571721964.db2.gz GCHAFVZHOJJLNZ-UHFFFAOYSA-N 1 1 196.298 1.517 10 0 ADAEMO CC(C)C[C@H](C)[NH2+]CCc1nc[nH]n1 70646035 571722037 /nfs/dbraw/zinc/72/20/37/571722037.db2.gz CMGSVMNABMMLCR-VIFPVBQESA-N 1 1 196.298 1.371 10 0 ADAEMO CCCC[C@H](C)[NH2+]CCc1nc[nH]n1 70646135 571722049 /nfs/dbraw/zinc/72/20/49/571722049.db2.gz QCKCHEAKAFMTMP-VIFPVBQESA-N 1 1 196.298 1.516 10 0 ADAEMO CCO[C@H](C)c1noc([C@H]([NH3+])CC)n1 70648438 571722073 /nfs/dbraw/zinc/72/20/73/571722073.db2.gz DMWJFLIMKMALJS-RNFRBKRXSA-N 1 1 199.254 1.577 10 0 ADAEMO CC[C@@H](C)[C@@H](C)[NH2+]CCc1nc[nH]n1 70646158 571722091 /nfs/dbraw/zinc/72/20/91/571722091.db2.gz QPDOYUPYSKRLQI-RKDXNWHRSA-N 1 1 196.298 1.371 10 0 ADAEMO CC[NH2+][C@H]1CCN(C)[C@@]1(CC)C1CC1 712194307 571722230 /nfs/dbraw/zinc/72/22/30/571722230.db2.gz GYIKHRFJSINVAS-RYUDHWBXSA-N 1 1 196.338 1.859 10 0 ADAEMO CCO[C@@H](C)c1nc(C[NH2+]C)c[nH]1 70649517 571722509 /nfs/dbraw/zinc/72/25/09/571722509.db2.gz ZPFSKITWVGBGTQ-ZETCQYMHSA-N 1 1 183.255 1.227 10 0 ADAEMO [NH3+]CC(=O)c1ccccc1CC(F)F 214147692 571722572 /nfs/dbraw/zinc/72/25/72/571722572.db2.gz FMQGWTAVPNLFFS-UHFFFAOYSA-N 1 1 199.200 1.636 10 0 ADAEMO [NH3+]CC(=O)c1ccc(CC(F)F)cc1 214147355 571722606 /nfs/dbraw/zinc/72/26/06/571722606.db2.gz LUIMJAJOCGCRMA-UHFFFAOYSA-N 1 1 199.200 1.636 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H]1CNCC1(C)CC1 235286985 571722772 /nfs/dbraw/zinc/72/27/72/571722772.db2.gz UJWZSPVFMSPZMC-ZJUUUORDSA-N 1 1 182.311 1.374 10 0 ADAEMO C[C@@H]1C[C@H](CNCC(F)F)CC[NH2+]1 235283437 571722825 /nfs/dbraw/zinc/72/28/25/571722825.db2.gz FJAJVOVSCBGMHB-HTQZYQBOSA-N 1 1 192.253 1.229 10 0 ADAEMO CC[NH2+]Cc1c[nH]c([C@H](C)OCC)n1 70649520 571722749 /nfs/dbraw/zinc/72/27/49/571722749.db2.gz PZQHLEBLQKBPES-QMMMGPOBSA-N 1 1 197.282 1.617 10 0 ADAEMO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1[NH2+]CCN[C@@H]21 23480254 571722938 /nfs/dbraw/zinc/72/29/38/571722938.db2.gz IOBFFXCKCXPQEU-KLBPJQLPSA-N 1 1 194.322 1.373 10 0 ADAEMO [NH3+]CC(=O)c1cccc(CC(F)F)c1 214147601 571723259 /nfs/dbraw/zinc/72/32/59/571723259.db2.gz FFQDPRNVNVOLAH-UHFFFAOYSA-N 1 1 199.200 1.636 10 0 ADAEMO CC1(C)[C@H]2CC[C@]1(C)[C@@H]1[NH2+]CCN[C@H]12 23480255 571723283 /nfs/dbraw/zinc/72/32/83/571723283.db2.gz IOBFFXCKCXPQEU-UXCLJVHYSA-N 1 1 194.322 1.373 10 0 ADAEMO CC[NH2+]Cc1c[nH]c([C@@H](C)OCC)n1 70649519 571723462 /nfs/dbraw/zinc/72/34/62/571723462.db2.gz PZQHLEBLQKBPES-MRVPVSSYSA-N 1 1 197.282 1.617 10 0 ADAEMO CC(C)[C@H](C[N@H+]1CCC2(CC2)C1)ON 400322656 571723629 /nfs/dbraw/zinc/72/36/29/571723629.db2.gz WARFXYYOQLJTRC-JTQLQIEISA-N 1 1 198.310 1.387 10 0 ADAEMO CC[NH2+][C@H]1CCN(CC2CC2)C1(C)C 712207074 571723765 /nfs/dbraw/zinc/72/37/65/571723765.db2.gz QIWKXOHOQIBIQM-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CCOC1(C)C[NH+](CCCC(C)=O)C1 400003763 571723831 /nfs/dbraw/zinc/72/38/31/571723831.db2.gz ZYXRAUNNVJRNHR-UHFFFAOYSA-N 1 1 199.294 1.466 10 0 ADAEMO CCO[C@H](C)c1nc(C[NH2+]C)c[nH]1 70649518 571723916 /nfs/dbraw/zinc/72/39/16/571723916.db2.gz ZPFSKITWVGBGTQ-SSDOTTSWSA-N 1 1 183.255 1.227 10 0 ADAEMO CC(C)[C@@H](C[N@H+]1CCC2(CC2)C1)ON 400322658 571724111 /nfs/dbraw/zinc/72/41/11/571724111.db2.gz WARFXYYOQLJTRC-SNVBAGLBSA-N 1 1 198.310 1.387 10 0 ADAEMO NC[C@@H](C1CC1)[N@H+]1CC[C@H](C2CC2)C1 400323380 571724260 /nfs/dbraw/zinc/72/42/60/571724260.db2.gz HGXAGILXKIBYGK-RYUDHWBXSA-N 1 1 194.322 1.456 10 0 ADAEMO Cc1[nH+]c(N)cn1C1CC1 23876809 571724413 /nfs/dbraw/zinc/72/44/13/571724413.db2.gz KNPZRHGBTWINMC-UHFFFAOYSA-N 1 1 137.186 1.109 10 0 ADAEMO CCCC[N@H+]1CCNC[C@H]1C1CC1 84856527 571724478 /nfs/dbraw/zinc/72/44/78/571724478.db2.gz QMAPNYSUZASDRW-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CCCCN1CC[NH2+]C[C@H]1C1CC1 84856527 571724480 /nfs/dbraw/zinc/72/44/80/571724480.db2.gz QMAPNYSUZASDRW-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO C[N@H+]1CCc2cccc(CO)c2C1 214162141 571724501 /nfs/dbraw/zinc/72/45/01/571724501.db2.gz WIXOHROBPHWXMZ-UHFFFAOYSA-N 1 1 177.247 1.167 10 0 ADAEMO CC[C@H](COC)[N@H+]1CCC(=O)[C@H](C)C1 70658746 571724841 /nfs/dbraw/zinc/72/48/41/571724841.db2.gz PMUBYFYVLRRDEM-NXEZZACHSA-N 1 1 199.294 1.322 10 0 ADAEMO [NH3+]CC[C@H](c1ccco1)N1CCCC1 11761638 571724914 /nfs/dbraw/zinc/72/49/14/571724914.db2.gz PDKCVNBSJBPYSD-SNVBAGLBSA-N 1 1 194.278 1.765 10 0 ADAEMO CCN(CC)[C@H](CC[NH3+])c1ccc[nH]1 11762668 571724989 /nfs/dbraw/zinc/72/49/89/571724989.db2.gz HWTCAKPSAIVOTI-LLVKDONJSA-N 1 1 195.310 1.746 10 0 ADAEMO CN([C@@H]1CCSC1)C(C)(C)C[NH3+] 37174579 571725691 /nfs/dbraw/zinc/72/56/91/571725691.db2.gz NAKRITXMQKOSHZ-MRVPVSSYSA-N 1 1 188.340 1.161 10 0 ADAEMO CCCC[N@H+]1CCNC[C@@H]1C1CC1 84856525 571725021 /nfs/dbraw/zinc/72/50/21/571725021.db2.gz QMAPNYSUZASDRW-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CCCCN1CC[NH2+]C[C@@H]1C1CC1 84856525 571725023 /nfs/dbraw/zinc/72/50/23/571725023.db2.gz QMAPNYSUZASDRW-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@@H](COC)[N@H+]1CCC(=O)[C@H](C)C1 70658745 571726124 /nfs/dbraw/zinc/72/61/24/571726124.db2.gz PMUBYFYVLRRDEM-ZJUUUORDSA-N 1 1 199.294 1.322 10 0 ADAEMO CC[NH2+][C@@H]1CCN(CC2CC2)C1(C)C 712207069 571725226 /nfs/dbraw/zinc/72/52/26/571725226.db2.gz QIWKXOHOQIBIQM-LLVKDONJSA-N 1 1 196.338 1.859 10 0 ADAEMO NC[C@H](C1CC1)[N@H+]1CC[C@@H](C2CC2)C1 400323381 571725557 /nfs/dbraw/zinc/72/55/57/571725557.db2.gz HGXAGILXKIBYGK-VXGBXAGGSA-N 1 1 194.322 1.456 10 0 ADAEMO C[N@H+]([C@@H]1CCSC1)C(C)(C)CN 37174579 571725693 /nfs/dbraw/zinc/72/56/93/571725693.db2.gz NAKRITXMQKOSHZ-MRVPVSSYSA-N 1 1 188.340 1.161 10 0 ADAEMO C[N@@H+]([C@@H]1CCSC1)C(C)(C)CN 37174579 571725695 /nfs/dbraw/zinc/72/56/95/571725695.db2.gz NAKRITXMQKOSHZ-MRVPVSSYSA-N 1 1 188.340 1.161 10 0 ADAEMO CN(C)[C@@H](CC[NH3+])c1cccs1 11762357 571725744 /nfs/dbraw/zinc/72/57/44/571725744.db2.gz IAVBPHZSDAZMNQ-QMMMGPOBSA-N 1 1 184.308 1.700 10 0 ADAEMO CC[C@H](COC)[NH+]1CCC(=O)CC1 70658748 571725890 /nfs/dbraw/zinc/72/58/90/571725890.db2.gz BCQGGXPYOCEQHH-SECBINFHSA-N 1 1 185.267 1.076 10 0 ADAEMO [NH3+]CC[C@@H](c1ccco1)N1CCCC1 11761644 571725928 /nfs/dbraw/zinc/72/59/28/571725928.db2.gz PDKCVNBSJBPYSD-JTQLQIEISA-N 1 1 194.278 1.765 10 0 ADAEMO CN([C@H]1CCSC1)C(C)(C)C[NH3+] 37174580 571726002 /nfs/dbraw/zinc/72/60/02/571726002.db2.gz NAKRITXMQKOSHZ-QMMMGPOBSA-N 1 1 188.340 1.161 10 0 ADAEMO C[N@H+]([C@H]1CCSC1)C(C)(C)CN 37174580 571726003 /nfs/dbraw/zinc/72/60/03/571726003.db2.gz NAKRITXMQKOSHZ-QMMMGPOBSA-N 1 1 188.340 1.161 10 0 ADAEMO C[N@@H+]([C@H]1CCSC1)C(C)(C)CN 37174580 571726006 /nfs/dbraw/zinc/72/60/06/571726006.db2.gz NAKRITXMQKOSHZ-QMMMGPOBSA-N 1 1 188.340 1.161 10 0 ADAEMO CCN(CC)[C@@H](CC[NH3+])c1ccc[nH]1 11762660 571726112 /nfs/dbraw/zinc/72/61/12/571726112.db2.gz HWTCAKPSAIVOTI-NSHDSACASA-N 1 1 195.310 1.746 10 0 ADAEMO CN(C)[C@H](CC[NH3+])c1cccs1 11762364 571726358 /nfs/dbraw/zinc/72/63/58/571726358.db2.gz IAVBPHZSDAZMNQ-MRVPVSSYSA-N 1 1 184.308 1.700 10 0 ADAEMO CCC[C@@]1(CO)CC[N@@H+](C)C1 138791437 571726605 /nfs/dbraw/zinc/72/66/05/571726605.db2.gz DAGUOFWKMZLUHN-SECBINFHSA-N 1 1 157.257 1.101 10 0 ADAEMO C[NH2+][C@@H](C1CCC1)[C@H]1CCCN(C)C1 214181887 571727101 /nfs/dbraw/zinc/72/71/01/571727101.db2.gz ZHKLSIUPCRVFGA-RYUDHWBXSA-N 1 1 196.338 1.716 10 0 ADAEMO C[N@H+]1CCCCC[C@H]1[C@H](N)C1CCC1 214177316 571727366 /nfs/dbraw/zinc/72/73/66/571727366.db2.gz VMEDNUGRXFFVTO-NWDGAFQWSA-N 1 1 196.338 1.988 10 0 ADAEMO CN1CCCCC[C@H]1[C@H]([NH3+])C1CCC1 214177316 571727370 /nfs/dbraw/zinc/72/73/70/571727370.db2.gz VMEDNUGRXFFVTO-NWDGAFQWSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCC[N@H+]1CCC[C@H]1C(N)=S 70661973 571727470 /nfs/dbraw/zinc/72/74/70/571727470.db2.gz GYNCIOHMOGOZLF-QMMMGPOBSA-N 1 1 186.324 1.537 10 0 ADAEMO C[C@@H]1CC[N@H+]1CCCCCCO 235292386 571727655 /nfs/dbraw/zinc/72/76/55/571727655.db2.gz UAQIFJCVUQIOHL-SNVBAGLBSA-N 1 1 171.284 1.633 10 0 ADAEMO CCCC[N@H+]1CCC[C@@H]1C(N)=S 70661972 571727726 /nfs/dbraw/zinc/72/77/26/571727726.db2.gz GYNCIOHMOGOZLF-MRVPVSSYSA-N 1 1 186.324 1.537 10 0 ADAEMO C[N@H+]1CCCCC[C@@H]1[C@H](N)C1CCC1 214177258 571727888 /nfs/dbraw/zinc/72/78/88/571727888.db2.gz VMEDNUGRXFFVTO-VXGBXAGGSA-N 1 1 196.338 1.988 10 0 ADAEMO CN1CCCCC[C@@H]1[C@H]([NH3+])C1CCC1 214177258 571727891 /nfs/dbraw/zinc/72/78/91/571727891.db2.gz VMEDNUGRXFFVTO-VXGBXAGGSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H](C)[C@@H]1CNCC[N@H+]1CC(C)C 84859497 571727991 /nfs/dbraw/zinc/72/79/91/571727991.db2.gz MMAJEJLVCQEISV-RYUDHWBXSA-N 1 1 198.354 1.962 10 0 ADAEMO C[NH2+][C@H](C1CCC1)[C@@H]1CCCN(C)C1 214181833 571728085 /nfs/dbraw/zinc/72/80/85/571728085.db2.gz ZHKLSIUPCRVFGA-VXGBXAGGSA-N 1 1 196.338 1.716 10 0 ADAEMO C[NH2+][C@H](C1CCC1)[C@H]1CCCN(C)C1 214181945 571728104 /nfs/dbraw/zinc/72/81/04/571728104.db2.gz ZHKLSIUPCRVFGA-NWDGAFQWSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[C@H](C)[C@H]1CNCC[N@H+]1CC(C)C 84859500 571728126 /nfs/dbraw/zinc/72/81/26/571728126.db2.gz MMAJEJLVCQEISV-NWDGAFQWSA-N 1 1 198.354 1.962 10 0 ADAEMO C[NH2+]C[C@H](C1CCCC1)[C@H]1CCN1C 214180478 571728649 /nfs/dbraw/zinc/72/86/49/571728649.db2.gz JFBNPCXPTGCBLV-VXGBXAGGSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[C@@H](C)[C@H]1CNCC[N@H+]1CC(C)C 84859498 571728723 /nfs/dbraw/zinc/72/87/23/571728723.db2.gz MMAJEJLVCQEISV-VXGBXAGGSA-N 1 1 198.354 1.962 10 0 ADAEMO COC[C@@H](C)[N@H+]1[C@@H](C)CC1(C)C 687798739 571728923 /nfs/dbraw/zinc/72/89/23/571728923.db2.gz DCTWPQKYCDLPSM-DTWKUNHWSA-N 1 1 171.284 1.894 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)[C@@H]1CCOC1 687798710 571729098 /nfs/dbraw/zinc/72/90/98/571729098.db2.gz CFUFXCVXAKNWBU-NXEZZACHSA-N 1 1 171.284 1.896 10 0 ADAEMO COC[C@H](C)[N@H+]1[C@H](C)CC1(C)C 687798732 571729340 /nfs/dbraw/zinc/72/93/40/571729340.db2.gz DCTWPQKYCDLPSM-BDAKNGLRSA-N 1 1 171.284 1.894 10 0 ADAEMO O[C@@H]1CCC[C@H]1[N@H+]1CCCSC1 687798676 571729351 /nfs/dbraw/zinc/72/93/51/571729351.db2.gz PJVCMURSJFQJQC-RKDXNWHRSA-N 1 1 187.308 1.296 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCCOC1 687798720 571729357 /nfs/dbraw/zinc/72/93/57/571729357.db2.gz ZOZIPVYTEIZYNW-NXEZZACHSA-N 1 1 171.284 1.896 10 0 ADAEMO C[C@H]1CC[N@@H+]([C@H]2CCC[C@@H]2C)CCN1 70834647 571731435 /nfs/dbraw/zinc/73/14/35/571731435.db2.gz XVTDFTFFDYYGKO-SRVKXCTJSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@H+]1[C@H](C)CC1(C)C 687798754 571729398 /nfs/dbraw/zinc/72/93/98/571729398.db2.gz CIQDKCITZOYGHH-SSDOTTSWSA-N 1 1 127.231 1.879 10 0 ADAEMO C[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2C)CCN1 70834651 571729518 /nfs/dbraw/zinc/72/95/18/571729518.db2.gz XVTDFTFFDYYGKO-GRYCIOLGSA-N 1 1 196.338 1.859 10 0 ADAEMO O[C@@H]1CCC[C@@H]1[N@H+]1CCCSC1 687798674 571729611 /nfs/dbraw/zinc/72/96/11/571729611.db2.gz PJVCMURSJFQJQC-DTWKUNHWSA-N 1 1 187.308 1.296 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCOC1 687798722 571729804 /nfs/dbraw/zinc/72/98/04/571729804.db2.gz ZOZIPVYTEIZYNW-VHSXEESVSA-N 1 1 171.284 1.896 10 0 ADAEMO COC[C@@H](C)[N@H+]1[C@H](C)CC1(C)C 687798741 571729814 /nfs/dbraw/zinc/72/98/14/571729814.db2.gz DCTWPQKYCDLPSM-RKDXNWHRSA-N 1 1 171.284 1.894 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)[C@H]1CCOC1 687798713 571729896 /nfs/dbraw/zinc/72/98/96/571729896.db2.gz CFUFXCVXAKNWBU-ZJUUUORDSA-N 1 1 171.284 1.896 10 0 ADAEMO C[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C)CCN1 70834654 571730130 /nfs/dbraw/zinc/73/01/30/571730130.db2.gz XVTDFTFFDYYGKO-SDDRHHMPSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CC(C)(C)[N@H+]1CC(C)(C)O 687798693 571731305 /nfs/dbraw/zinc/73/13/05/571731305.db2.gz MYTPELYJCXMWMS-QMMMGPOBSA-N 1 1 171.284 1.630 10 0 ADAEMO OCCC[N@H+]1C[C@@H]2CCCC[C@H]21 687798686 571730204 /nfs/dbraw/zinc/73/02/04/571730204.db2.gz IWYJTXKLHRZWMI-VHSXEESVSA-N 1 1 169.268 1.243 10 0 ADAEMO O[C@H]1CCC[C@H]1[N@H+]1CCCSC1 687798673 571730298 /nfs/dbraw/zinc/73/02/98/571730298.db2.gz PJVCMURSJFQJQC-BDAKNGLRSA-N 1 1 187.308 1.296 10 0 ADAEMO C[C@H]1CSC[C@@H](C)[N@H+]1CCCO 687798856 571730334 /nfs/dbraw/zinc/73/03/34/571730334.db2.gz WZVRBBZXNPUNFL-DTORHVGOSA-N 1 1 189.324 1.195 10 0 ADAEMO OCCC[N@H+]1C[C@H]2CCCC[C@@H]21 687798687 571730394 /nfs/dbraw/zinc/73/03/94/571730394.db2.gz IWYJTXKLHRZWMI-ZJUUUORDSA-N 1 1 169.268 1.243 10 0 ADAEMO C[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2C)CCN1 70834646 571730559 /nfs/dbraw/zinc/73/05/59/571730559.db2.gz XVTDFTFFDYYGKO-WOPDTQHZSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCOC1 687798711 571730583 /nfs/dbraw/zinc/73/05/83/571730583.db2.gz CFUFXCVXAKNWBU-UWVGGRQHSA-N 1 1 171.284 1.896 10 0 ADAEMO [NH3+]Cc1c(C2CC2)oc2c1CNC2 214187404 571730598 /nfs/dbraw/zinc/73/05/98/571730598.db2.gz CHMANECYIJRVIT-UHFFFAOYSA-N 1 1 178.235 1.219 10 0 ADAEMO CSCC[N@@H+](C)C(C)(C)CCO 687798742 571730617 /nfs/dbraw/zinc/73/06/17/571730617.db2.gz HQTMFTXHGFERHU-UHFFFAOYSA-N 1 1 191.340 1.442 10 0 ADAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCOC1 687798712 571730622 /nfs/dbraw/zinc/73/06/22/571730622.db2.gz CFUFXCVXAKNWBU-VHSXEESVSA-N 1 1 171.284 1.896 10 0 ADAEMO CC[N@H+]1[C@@H](C)CC1(C)C 687798755 571730645 /nfs/dbraw/zinc/73/06/45/571730645.db2.gz CIQDKCITZOYGHH-ZETCQYMHSA-N 1 1 127.231 1.879 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)[C@H]1CCCOC1 687798723 571730732 /nfs/dbraw/zinc/73/07/32/571730732.db2.gz ZOZIPVYTEIZYNW-ZJUUUORDSA-N 1 1 171.284 1.896 10 0 ADAEMO Cc1cc(C(=O)C[NH3+])cc(C)c1N 214187925 571730818 /nfs/dbraw/zinc/73/08/18/571730818.db2.gz SERVZCGNQNVTIK-UHFFFAOYSA-N 1 1 178.235 1.027 10 0 ADAEMO O[C@H]1CCC[C@@H]1[N@H+]1CCCSC1 687798675 571730863 /nfs/dbraw/zinc/73/08/63/571730863.db2.gz PJVCMURSJFQJQC-IUCAKERBSA-N 1 1 187.308 1.296 10 0 ADAEMO C[C@@H]1CC(C)(C)[N@H+]1CC(C)(C)O 687798692 571730874 /nfs/dbraw/zinc/73/08/74/571730874.db2.gz MYTPELYJCXMWMS-MRVPVSSYSA-N 1 1 171.284 1.630 10 0 ADAEMO Cc1c(Cl)ccc(O)c1C(=O)C[NH3+] 214195139 571730914 /nfs/dbraw/zinc/73/09/14/571730914.db2.gz IBMHOQNNVPQNEB-UHFFFAOYSA-N 1 1 199.637 1.495 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCCOC1 687798721 571731134 /nfs/dbraw/zinc/73/11/34/571731134.db2.gz ZOZIPVYTEIZYNW-UWVGGRQHSA-N 1 1 171.284 1.896 10 0 ADAEMO CC(C)[N@@H+](CCCO)C(C)(C)C 687798724 571731247 /nfs/dbraw/zinc/73/12/47/571731247.db2.gz AXZKRCLAVGMOJY-UHFFFAOYSA-N 1 1 173.300 1.878 10 0 ADAEMO CC[N@@H+](CCSC)C(C)(C)CO 687798677 571731499 /nfs/dbraw/zinc/73/14/99/571731499.db2.gz QXPPYADSOLPUSQ-UHFFFAOYSA-N 1 1 191.340 1.442 10 0 ADAEMO COC[C@H](C)[N@H+]1[C@@H](C)CC1(C)C 687798740 571731505 /nfs/dbraw/zinc/73/15/05/571731505.db2.gz DCTWPQKYCDLPSM-IUCAKERBSA-N 1 1 171.284 1.894 10 0 ADAEMO Cc1ncsc1CNCC[C@@H](C)[NH3+] 70838117 571732025 /nfs/dbraw/zinc/73/20/25/571732025.db2.gz RKDVSKJNJXWQHO-SSDOTTSWSA-N 1 1 199.323 1.278 10 0 ADAEMO C[N@H+]1CC[C@@H]1[C@@H](CO)C1CCCCC1 214202585 571732246 /nfs/dbraw/zinc/73/22/46/571732246.db2.gz YCHVGFGFSIHKGZ-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCCCC[C@@H]1[C@@H](CO)C1CC1 214201450 571732262 /nfs/dbraw/zinc/73/22/62/571732262.db2.gz YOSRNUJNKUWBOE-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CC[C@H]([C@@H](CCO)C2CCC2)C1 214203860 571732288 /nfs/dbraw/zinc/73/22/88/571732288.db2.gz CMRIQLYARCPRKU-RYUDHWBXSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@@H](CO)C1CCCC1 214202165 571732435 /nfs/dbraw/zinc/73/24/35/571732435.db2.gz GOYPBHFJTUJNRK-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@@H](CO)C2CCC2)C1 214203477 571732445 /nfs/dbraw/zinc/73/24/45/571732445.db2.gz YTBMVOBLGASMRF-NEPJUHHUSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CCCCC[C@H]1[C@@H](CO)C1CC1 214201516 571732487 /nfs/dbraw/zinc/73/24/87/571732487.db2.gz YOSRNUJNKUWBOE-RYUDHWBXSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@@H](n2nccc2Cl)C1 214205645 571732648 /nfs/dbraw/zinc/73/26/48/571732648.db2.gz FANCYEWAWFEVJU-MRVPVSSYSA-N 1 1 199.685 1.803 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H](CO)C2CCC2)C1 214203426 571732856 /nfs/dbraw/zinc/73/28/56/571732856.db2.gz YTBMVOBLGASMRF-RYUDHWBXSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@@H](CCO)C2CCC2)C1 214203915 571732962 /nfs/dbraw/zinc/73/29/62/571732962.db2.gz CMRIQLYARCPRKU-NEPJUHHUSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](CCO)C1CCC1 214202369 571733176 /nfs/dbraw/zinc/73/31/76/571733176.db2.gz XGTLXNOWFCNCIS-RYUDHWBXSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@@H](CO)C2CC2)CC1 214203054 571733288 /nfs/dbraw/zinc/73/32/88/571733288.db2.gz NCEQEEJTTWCPLP-ZYHUDNBSSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CC[C@@H]1[C@@H](CCCO)C1CCC1 214202847 571733334 /nfs/dbraw/zinc/73/33/34/571733334.db2.gz XTYIRPIFOHXDAG-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CC[C@H]([C@@H](CO)C2CCCC2)C1 214203709 571733343 /nfs/dbraw/zinc/73/33/43/571733343.db2.gz KVFRKOVZWKBCIN-RYUDHWBXSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@H](O)C2CCCC2)C1 214222878 571733521 /nfs/dbraw/zinc/73/35/21/571733521.db2.gz OVLUCOKWMIQLLL-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@H](O)C2CCCC2)C1 214222937 571733530 /nfs/dbraw/zinc/73/35/30/571733530.db2.gz OVLUCOKWMIQLLL-VXGBXAGGSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@@H](CCCO)C2CC2)C1 214204051 571733634 /nfs/dbraw/zinc/73/36/34/571733634.db2.gz FZWQHYDYFQRILA-NEPJUHHUSA-N 1 1 197.322 1.737 10 0 ADAEMO CC(C)c1nc(Cl)c2n1CC[NH2+]C2 214205491 571733648 /nfs/dbraw/zinc/73/36/48/571733648.db2.gz WSSKAEFIXFYJKK-UHFFFAOYSA-N 1 1 199.685 1.763 10 0 ADAEMO C[N@H+]1CCCC[C@H]1[C@@H](CCO)C1CC1 214201947 571733659 /nfs/dbraw/zinc/73/36/59/571733659.db2.gz DJOUXEXAEVSZIR-RYUDHWBXSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCCC[C@H]1[C@@H](CO)C1CCC1 214201810 571733680 /nfs/dbraw/zinc/73/36/80/571733680.db2.gz NXKPQAQXTRBTPP-RYUDHWBXSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@@H](CCO)C2CC2)C1 214203624 571733789 /nfs/dbraw/zinc/73/37/89/571733789.db2.gz IBCRUUOZTDTUKF-NEPJUHHUSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CC[C@H]1[C@@H](CCCO)C1CCC1 214202908 571733824 /nfs/dbraw/zinc/73/38/24/571733824.db2.gz XTYIRPIFOHXDAG-RYUDHWBXSA-N 1 1 197.322 1.879 10 0 ADAEMO Cc1ncsc1CNCC[C@H](C)[NH3+] 70838120 571733846 /nfs/dbraw/zinc/73/38/46/571733846.db2.gz RKDVSKJNJXWQHO-ZETCQYMHSA-N 1 1 199.323 1.278 10 0 ADAEMO C[N@H+]1CC[C@@H]1[C@@H](CCO)C1CCCC1 214202713 571734016 /nfs/dbraw/zinc/73/40/16/571734016.db2.gz UWSKGISQIXLTRW-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1[C@@H](CO)C1CCC1 214201750 571734040 /nfs/dbraw/zinc/73/40/40/571734040.db2.gz NXKPQAQXTRBTPP-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1[C@@H](CCO)C1CC1 214201889 571734186 /nfs/dbraw/zinc/73/41/86/571734186.db2.gz DJOUXEXAEVSZIR-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H](CO)C2CC2)CC1 214202989 571734481 /nfs/dbraw/zinc/73/44/81/571734481.db2.gz NCEQEEJTTWCPLP-CMPLNLGQSA-N 1 1 197.322 1.737 10 0 ADAEMO CC[C@@H](C)[C@H](N)C[NH2+][C@@H](C)C1CC1 398167431 571734252 /nfs/dbraw/zinc/73/42/52/571734252.db2.gz DTMBCTLXNMHHTM-WCABBAIRSA-N 1 1 184.327 1.748 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H](CCO)C2CC2)C1 214203563 571734350 /nfs/dbraw/zinc/73/43/50/571734350.db2.gz IBCRUUOZTDTUKF-RYUDHWBXSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@H](O)C2CCC2)CC1 214221067 571734387 /nfs/dbraw/zinc/73/43/87/571734387.db2.gz YNDCHCGOZUEILN-VXGBXAGGSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@@H](CCCO)C1CC1 214202450 571734392 /nfs/dbraw/zinc/73/43/92/571734392.db2.gz VQNZVDOTZZVCDP-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@@H](CO)C2CCCC2)C1 214203764 571734418 /nfs/dbraw/zinc/73/44/18/571734418.db2.gz KVFRKOVZWKBCIN-NEPJUHHUSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CCC[C@H](n2nccc2Cl)C1 214205577 571734439 /nfs/dbraw/zinc/73/44/39/571734439.db2.gz FANCYEWAWFEVJU-QMMMGPOBSA-N 1 1 199.685 1.803 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](CCCO)C1CC1 214202501 571734454 /nfs/dbraw/zinc/73/44/54/571734454.db2.gz VQNZVDOTZZVCDP-RYUDHWBXSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@@H](CCO)C1CCC1 214202310 571734496 /nfs/dbraw/zinc/73/44/96/571734496.db2.gz XGTLXNOWFCNCIS-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](CO)C1CCCC1 214202222 571734512 /nfs/dbraw/zinc/73/45/12/571734512.db2.gz GOYPBHFJTUJNRK-RYUDHWBXSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@H](O)C2CCC2)CC1 214221014 571734521 /nfs/dbraw/zinc/73/45/21/571734521.db2.gz YNDCHCGOZUEILN-NWDGAFQWSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CC[C@H]1[C@@H](CO)C1CCCCC1 214202635 571734697 /nfs/dbraw/zinc/73/46/97/571734697.db2.gz YCHVGFGFSIHKGZ-RYUDHWBXSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@H](O)CCC[N@@H+]1CCSC1 687798885 571735193 /nfs/dbraw/zinc/73/51/93/571735193.db2.gz NKFSIEXQTBAMEK-QMMMGPOBSA-N 1 1 175.297 1.154 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@H](O)C2CCCCC2)C1 214223826 571736348 /nfs/dbraw/zinc/73/63/48/571736348.db2.gz PXAXFDIIZGABPB-VXGBXAGGSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@H](O)CCC[N@H+]1CCSC1 687798885 571735195 /nfs/dbraw/zinc/73/51/95/571735195.db2.gz NKFSIEXQTBAMEK-QMMMGPOBSA-N 1 1 175.297 1.154 10 0 ADAEMO C[C@@H](O)CCC[N@@H+]1CCSC1 687798884 571736318 /nfs/dbraw/zinc/73/63/18/571736318.db2.gz NKFSIEXQTBAMEK-MRVPVSSYSA-N 1 1 175.297 1.154 10 0 ADAEMO C[C@@H](O)CCC[N@H+]1CCSC1 687798884 571736319 /nfs/dbraw/zinc/73/63/19/571736319.db2.gz NKFSIEXQTBAMEK-MRVPVSSYSA-N 1 1 175.297 1.154 10 0 ADAEMO CCn1ccnc1N[C@](C)(CC)C[NH3+] 70894668 571735769 /nfs/dbraw/zinc/73/57/69/571735769.db2.gz MXGOPKANVPHXMM-SNVBAGLBSA-N 1 1 196.298 1.442 10 0 ADAEMO CC[C@@H](C)Nc1nnc([C@H](C)[NH3+])o1 233838480 571736231 /nfs/dbraw/zinc/73/62/31/571736231.db2.gz IJRHYFKCMPAKAN-RITPCOANSA-N 1 1 184.243 1.300 10 0 ADAEMO C/C=C\CO[C@@H](C)Cc1[nH]cc[nH+]1 388674329 571736543 /nfs/dbraw/zinc/73/65/43/571736543.db2.gz 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/nfs/dbraw/zinc/76/77/50/571767750.db2.gz XPOMSRCFFRKRAV-VIFPVBQESA-N 1 1 155.241 1.260 10 0 ADAEMO C[C@@]([NH3+])(CN)CCc1ccccc1 38644392 571767828 /nfs/dbraw/zinc/76/78/28/571767828.db2.gz RAILGWPQGRMTQY-NSHDSACASA-N 1 1 178.279 1.295 10 0 ADAEMO C[C@@H]1CCCN[C@@H]1C[NH2+]CC1(C)CC1 235324385 571767866 /nfs/dbraw/zinc/76/78/66/571767866.db2.gz IAOSEJQPUSQPMR-GHMZBOCLSA-N 1 1 196.338 1.764 10 0 ADAEMO CCC[N@@H+](C)[C@H]1CCc2n[nH]cc2C1 26466559 571767874 /nfs/dbraw/zinc/76/78/74/571767874.db2.gz UICRRSDXFBSSOI-JTQLQIEISA-N 1 1 193.294 1.609 10 0 ADAEMO Cc1cc(C[NH2+][C@@H]2CC23CC3)no1 335549777 571767930 /nfs/dbraw/zinc/76/79/30/571767930.db2.gz KXONCAMLEGYUNG-SECBINFHSA-N 1 1 178.235 1.625 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1CCOC1 19045184 571767945 /nfs/dbraw/zinc/76/79/45/571767945.db2.gz XPOMSRCFFRKRAV-SECBINFHSA-N 1 1 155.241 1.260 10 0 ADAEMO CC(C)C[N@@H+](C)CCn1ccc(N)n1 70945762 571768127 /nfs/dbraw/zinc/76/81/27/571768127.db2.gz UEBNWRNKYQFJJO-UHFFFAOYSA-N 1 1 196.298 1.053 10 0 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/nfs/dbraw/zinc/77/07/34/571770734.db2.gz SAHHYXLITAHGFR-QWRGUYRKSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[N@@H+](CCn1ccc(N)n1)C(C)C 70945743 571770284 /nfs/dbraw/zinc/77/02/84/571770284.db2.gz BVWOMTYUXKSIMV-UHFFFAOYSA-N 1 1 196.298 1.196 10 0 ADAEMO C[C@@H]1CCCN[C@@H]1C[NH2+]CC1CC1 235324559 571770415 /nfs/dbraw/zinc/77/04/15/571770415.db2.gz IXLGEILHWCNPBA-MWLCHTKSSA-N 1 1 182.311 1.374 10 0 ADAEMO CCC[N@@H+](C)CCCn1ccc(N)n1 70943850 571770599 /nfs/dbraw/zinc/77/05/99/571770599.db2.gz OSRFFSPISSNNME-UHFFFAOYSA-N 1 1 196.298 1.197 10 0 ADAEMO CC[C@H](C)[C@@H]([NH3+])CN1CCC2(CC2)C1 400006994 571770728 /nfs/dbraw/zinc/77/07/28/571770728.db2.gz SAHHYXLITAHGFR-QWRGUYRKSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@H](C)[C@@H](N)C[N@@H+]1CCC2(CC2)C1 400006994 571770731 /nfs/dbraw/zinc/77/07/31/571770731.db2.gz SAHHYXLITAHGFR-QWRGUYRKSA-N 1 1 196.338 1.846 10 0 ADAEMO C/C=C\C[N@H+]1CCSC[C@H]1C 379305854 571770827 /nfs/dbraw/zinc/77/08/27/571770827.db2.gz UIZLYAAUCWKMBV-ZBJFTSOASA-N 1 1 171.309 2.000 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/nfs/dbraw/zinc/77/15/86/571771586.db2.gz SAHHYXLITAHGFR-WDEREUQCSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@H](C)[C@H](N)C[N@H+]1CCC2(CC2)C1 400006995 571771588 /nfs/dbraw/zinc/77/15/88/571771588.db2.gz SAHHYXLITAHGFR-WDEREUQCSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@@H](C)[C@@H]([NH3+])CN1CCC2(CC2)C1 400006993 571771754 /nfs/dbraw/zinc/77/17/54/571771754.db2.gz SAHHYXLITAHGFR-MNOVXSKESA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@@H](C)[C@@H](N)C[N@@H+]1CCC2(CC2)C1 400006993 571771755 /nfs/dbraw/zinc/77/17/55/571771755.db2.gz SAHHYXLITAHGFR-MNOVXSKESA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@@H](C)[C@@H](N)C[N@H+]1CCC2(CC2)C1 400006993 571771756 /nfs/dbraw/zinc/77/17/56/571771756.db2.gz SAHHYXLITAHGFR-MNOVXSKESA-N 1 1 196.338 1.846 10 0 ADAEMO C[NH2+][C@](C)(C(=O)OC)C1CCCCC1 70953505 571771995 /nfs/dbraw/zinc/77/19/95/571771995.db2.gz BTBJDAYTGOIIIH-NSHDSACASA-N 1 1 199.294 1.718 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H](C)C(C)=O 37335886 571772325 /nfs/dbraw/zinc/77/23/25/571772325.db2.gz 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CC[C@@H](C)[C@H](N)C[N@@H+]1CCC2(CC2)C1 400006992 571773017 /nfs/dbraw/zinc/77/30/17/571773017.db2.gz SAHHYXLITAHGFR-GHMZBOCLSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@@H](C)[C@H](N)C[N@H+]1CCC2(CC2)C1 400006992 571773021 /nfs/dbraw/zinc/77/30/21/571773021.db2.gz SAHHYXLITAHGFR-GHMZBOCLSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H](C(=O)c1ccc(F)cc1)[NH+](C)C 37333547 571773374 /nfs/dbraw/zinc/77/33/74/571773374.db2.gz LKZITASMICNSHS-MRVPVSSYSA-N 1 1 195.237 1.959 10 0 ADAEMO c1cc(C2CC2)nc(C[NH2+]C2CC2)n1 70951984 571773435 /nfs/dbraw/zinc/77/34/35/571773435.db2.gz PZSGISAJUBYSQR-UHFFFAOYSA-N 1 1 189.262 1.606 10 0 ADAEMO Cc1[nH+]ccn1CC(=O)c1ccco1 37340665 571773896 /nfs/dbraw/zinc/77/38/96/571773896.db2.gz SSTOVXXQYLFHIX-UHFFFAOYSA-N 1 1 190.202 1.667 10 0 ADAEMO CCC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](CC)C1 400007142 571773962 /nfs/dbraw/zinc/77/39/62/571773962.db2.gz ZJBIWQOLQPJYGS-IQJOONFLSA-N 1 1 199.294 1.057 10 0 ADAEMO CCC(=O)[C@H](C)[N@H+]1C[C@H](CC)[C@@H](O)C1 400007144 571774003 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CCC[NH2+]Cc1ccc2nn[nH]c2c1 70953929 571774573 /nfs/dbraw/zinc/77/45/73/571774573.db2.gz IUXZHARNKQNFLU-UHFFFAOYSA-N 1 1 190.250 1.458 10 0 ADAEMO OC[C@@H]1CS[C@H](c2ccccc2)[NH2+]1 1561057 571774588 /nfs/dbraw/zinc/77/45/88/571774588.db2.gz HXHILNLOJNVIMH-NXEZZACHSA-N 1 1 195.287 1.383 10 0 ADAEMO CC(C)C[C@@]([NH3+])(CN)C(C)C 19360980 571774696 /nfs/dbraw/zinc/77/46/96/571774696.db2.gz KYLYSEKDMANMPR-SECBINFHSA-N 1 1 158.289 1.345 10 0 ADAEMO OC[C@@H]1CS[C@@H](c2ccccc2)[NH2+]1 1561056 571774758 /nfs/dbraw/zinc/77/47/58/571774758.db2.gz HXHILNLOJNVIMH-ZJUUUORDSA-N 1 1 195.287 1.383 10 0 ADAEMO CCC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CC)C1 400007141 571774879 /nfs/dbraw/zinc/77/48/79/571774879.db2.gz ZJBIWQOLQPJYGS-ATZCPNFKSA-N 1 1 199.294 1.057 10 0 ADAEMO OC[C@H]1CS[C@H](c2ccccc2)[NH2+]1 1561055 571775191 /nfs/dbraw/zinc/77/51/91/571775191.db2.gz HXHILNLOJNVIMH-VHSXEESVSA-N 1 1 195.287 1.383 10 0 ADAEMO CCC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@H](CC)C1 400007143 571775325 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196.294 1.200 10 0 ADAEMO CC[C@H](C1CC1)[N@@H+](C)C[C@H](O)CF 324164956 571776694 /nfs/dbraw/zinc/77/66/94/571776694.db2.gz DJFNIIZCGPEQPX-NXEZZACHSA-N 1 1 189.274 1.437 10 0 ADAEMO C[N@H+]1C[C@H]2CC[C@@H]1C2 1609654 571776842 /nfs/dbraw/zinc/77/68/42/571776842.db2.gz LLAMAEIOZLEXMF-NKWVEPMBSA-N 1 1 111.188 1.101 10 0 ADAEMO CCCCOC(=O)[C@H]1CCC[N@@H+](C)C1 1605376 571776901 /nfs/dbraw/zinc/77/69/01/571776901.db2.gz GCKHRJBRWRLKPW-JTQLQIEISA-N 1 1 199.294 1.672 10 0 ADAEMO CCO[C@H](CC)[C@H]([NH3+])C(F)F 687800411 571776902 /nfs/dbraw/zinc/77/69/02/571776902.db2.gz RZOVBXZTMNKLPC-RITPCOANSA-N 1 1 167.199 1.394 10 0 ADAEMO C1COC(N[C@H]2C[C@@H]3CC[C@H]2C3)=[NH+]1 1623522 571777038 /nfs/dbraw/zinc/77/70/38/571777038.db2.gz UBJQGXKAUYCWBB-VGMNWLOBSA-N 1 1 180.251 1.151 10 0 ADAEMO CCO[C@@H](CC)[C@@H]([NH3+])C(F)F 687800409 571777637 /nfs/dbraw/zinc/77/76/37/571777637.db2.gz RZOVBXZTMNKLPC-NTSWFWBYSA-N 1 1 167.199 1.394 10 0 ADAEMO C/C=C\C[N@@H+]1[C@H](CO)CCC[C@H]1C 388646958 571777661 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1.163 10 0 ADAEMO CC[C@H]([NH2+]C1(C)CCCC1)C(=O)OC 687721668 571779136 /nfs/dbraw/zinc/77/91/36/571779136.db2.gz LCJNPALPPATQKM-VIFPVBQESA-N 1 1 199.294 1.860 10 0 ADAEMO CC(C)(C)[NH2+][C@@H]1CCCC[C@@H]1N 142983893 571779169 /nfs/dbraw/zinc/77/91/69/571779169.db2.gz UMAKZWWMOHPVFI-DTWKUNHWSA-N 1 1 170.300 1.644 10 0 ADAEMO C[C@@H]1CCC[C@@H]2CCCOC[N@@H+]12 1580319 571779224 /nfs/dbraw/zinc/77/92/24/571779224.db2.gz FOCJYZSGFUJZHF-NXEZZACHSA-N 1 1 169.268 1.997 10 0 ADAEMO C[C@]([NH3+])(CN1CCCCCC1)C1CC1 37479147 571779311 /nfs/dbraw/zinc/77/93/11/571779311.db2.gz KXNBFSFBVWDDCQ-LBPRGKRZSA-N 1 1 196.338 1.990 10 0 ADAEMO CC[C@@H]([NH2+]C1(C)CCCC1)C(=O)OC 687721667 571779381 /nfs/dbraw/zinc/77/93/81/571779381.db2.gz LCJNPALPPATQKM-SECBINFHSA-N 1 1 199.294 1.860 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 403806846 571779429 /nfs/dbraw/zinc/77/94/29/571779429.db2.gz GKAAQUURMVDMPQ-SGIHWFKDSA-N 1 1 197.278 1.326 10 0 ADAEMO C[C@H]1C[C@H]2CCC[N@H+]2C1 1641607 571779455 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38942410 571863242 /nfs/dbraw/zinc/86/32/42/571863242.db2.gz DLHWAMGLQXPUOE-IMTBSYHQSA-N 1 1 168.215 1.173 10 0 ADAEMO CCOC1=[NH+]C=CC=C(C)N1 38948899 571863306 /nfs/dbraw/zinc/86/33/06/571863306.db2.gz FFGUIADTLVOHHR-UHFFFAOYSA-N 1 1 152.197 1.400 10 0 ADAEMO CC[N@@H+]1CC[C@@H]1CN[C@@H](C)C(F)F 712619625 571863320 /nfs/dbraw/zinc/86/33/20/571863320.db2.gz YNPKXEFEQGUNPQ-JGVFFNPUSA-N 1 1 192.253 1.324 10 0 ADAEMO CC[N@H+]1CC[C@@H]1CN[C@@H](C)C(F)F 712619625 571863321 /nfs/dbraw/zinc/86/33/21/571863321.db2.gz YNPKXEFEQGUNPQ-JGVFFNPUSA-N 1 1 192.253 1.324 10 0 ADAEMO CCN1CC[C@@H]1C[NH2+][C@@H](C)C(F)F 712619625 571863322 /nfs/dbraw/zinc/86/33/22/571863322.db2.gz YNPKXEFEQGUNPQ-JGVFFNPUSA-N 1 1 192.253 1.324 10 0 ADAEMO C[C@H]1CN[C@@]2(CCC[C@@H](C)C2)[NH2+]1 210985367 571863472 /nfs/dbraw/zinc/86/34/72/571863472.db2.gz OWKNQRWVKQUQGI-UTLUCORTSA-N 1 1 168.284 1.474 10 0 ADAEMO CC[N@H+]1CCC[C@](N)(C(F)F)C1 144669843 571863753 /nfs/dbraw/zinc/86/37/53/571863753.db2.gz XQDBYSQYHREQCM-MRVPVSSYSA-N 1 1 178.226 1.065 10 0 ADAEMO CC(C)[C@H](C[NH3+])NCc1ccccc1 38973892 571866881 /nfs/dbraw/zinc/86/68/81/571866881.db2.gz WZAVYFSYVJDYSU-LBPRGKRZSA-N 1 1 192.306 1.760 10 0 ADAEMO C=Cn1cc[nH+]c1CC 38893052 571863831 /nfs/dbraw/zinc/86/38/31/571863831.db2.gz HFCLUHMYABQVOG-UHFFFAOYSA-N 1 1 122.171 1.546 10 0 ADAEMO c1nc(C[NH2+]CCC2CCCC2)no1 300731022 571864033 /nfs/dbraw/zinc/86/40/33/571864033.db2.gz FQHDOBHLCXIQLV-UHFFFAOYSA-N 1 1 195.266 1.740 10 0 ADAEMO c1cc2ccc3[nH+]cc(c1)n23 38888567 571864262 /nfs/dbraw/zinc/86/42/62/571864262.db2.gz SNTOFHVGTWYJOL-UHFFFAOYSA-N 1 1 142.161 1.925 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1ccc(C=O)nc1 38973817 571864605 /nfs/dbraw/zinc/86/46/05/571864605.db2.gz RLJVRLYTFQALGP-LLVKDONJSA-N 1 1 190.246 1.661 10 0 ADAEMO CC[N@@H+]1CC[C@@H]1CN[C@H](C)C(F)F 712619619 571864815 /nfs/dbraw/zinc/86/48/15/571864815.db2.gz YNPKXEFEQGUNPQ-HTQZYQBOSA-N 1 1 192.253 1.324 10 0 ADAEMO CC[N@H+]1CC[C@@H]1CN[C@H](C)C(F)F 712619619 571864818 /nfs/dbraw/zinc/86/48/18/571864818.db2.gz YNPKXEFEQGUNPQ-HTQZYQBOSA-N 1 1 192.253 1.324 10 0 ADAEMO CCN1CC[C@@H]1C[NH2+][C@H](C)C(F)F 712619619 571864823 /nfs/dbraw/zinc/86/48/23/571864823.db2.gz YNPKXEFEQGUNPQ-HTQZYQBOSA-N 1 1 192.253 1.324 10 0 ADAEMO CC[N@@H+](C)C[C@H](O)C1CCCCC1 158401708 571865018 /nfs/dbraw/zinc/86/50/18/571865018.db2.gz VEXHHHYQYVWISU-NSHDSACASA-N 1 1 185.311 1.879 10 0 ADAEMO C[N@@H+](CCCC(F)F)CC(C)(C)O 687872064 571865046 /nfs/dbraw/zinc/86/50/46/571865046.db2.gz FPWVANAZFGMXRH-UHFFFAOYSA-N 1 1 195.253 1.734 10 0 ADAEMO C[N@@H+](CCCO)CCCC(F)F 687871682 571865429 /nfs/dbraw/zinc/86/54/29/571865429.db2.gz CTEIXLJBWOOQIE-UHFFFAOYSA-N 1 1 181.226 1.346 10 0 ADAEMO CC[N@@H+]1CC[C@H]1CN[C@@H](C)C(F)F 712619630 571865962 /nfs/dbraw/zinc/86/59/62/571865962.db2.gz YNPKXEFEQGUNPQ-YUMQZZPRSA-N 1 1 192.253 1.324 10 0 ADAEMO CC[N@H+]1CC[C@H]1CN[C@@H](C)C(F)F 712619630 571865966 /nfs/dbraw/zinc/86/59/66/571865966.db2.gz YNPKXEFEQGUNPQ-YUMQZZPRSA-N 1 1 192.253 1.324 10 0 ADAEMO CCN1CC[C@H]1C[NH2+][C@@H](C)C(F)F 712619630 571865970 /nfs/dbraw/zinc/86/59/70/571865970.db2.gz YNPKXEFEQGUNPQ-YUMQZZPRSA-N 1 1 192.253 1.324 10 0 ADAEMO C[C@H]1CN[C@]2(CCC[C@@H](C)C2)[NH2+]1 210985332 571866192 /nfs/dbraw/zinc/86/61/92/571866192.db2.gz OWKNQRWVKQUQGI-KXUCPTDWSA-N 1 1 168.284 1.474 10 0 ADAEMO C[C@@H]1C[C@@H](CNCC(F)F)CC[NH2+]1 235388787 571866301 /nfs/dbraw/zinc/86/63/01/571866301.db2.gz FJAJVOVSCBGMHB-SFYZADRCSA-N 1 1 192.253 1.229 10 0 ADAEMO O=C1c2ccncc2[C@H]2CC[C@@H]1[NH2+]2 38949699 571866484 /nfs/dbraw/zinc/86/64/84/571866484.db2.gz NVAOWAXMZVHGBW-BDAKNGLRSA-N 1 1 174.203 1.071 10 0 ADAEMO C[N@H+]1CCC[C@H]1c1ccc(C=O)nc1 38973818 571866511 /nfs/dbraw/zinc/86/65/11/571866511.db2.gz RLJVRLYTFQALGP-NSHDSACASA-N 1 1 190.246 1.661 10 0 ADAEMO CN[C@@H]1CCCCC[C@@H]1[NH2+]C 38973056 571866596 /nfs/dbraw/zinc/86/65/96/571866596.db2.gz QUPDBRZMWUTFCJ-DTORHVGOSA-N 1 1 156.273 1.127 10 0 ADAEMO CN[C@H]1CCCCC[C@H]1[NH2+]C 38973056 571866598 /nfs/dbraw/zinc/86/65/98/571866598.db2.gz QUPDBRZMWUTFCJ-DTORHVGOSA-N 1 1 156.273 1.127 10 0 ADAEMO Cc1cc2[nH+]ncc(N)c2cc1C 38973345 571866641 /nfs/dbraw/zinc/86/66/41/571866641.db2.gz ZSSUVSWEHPSZTA-UHFFFAOYSA-N 1 1 173.219 1.829 10 0 ADAEMO CC[C@@H]1CO[C@@H](c2ccco2)[NH2+]1 38995823 571867777 /nfs/dbraw/zinc/86/77/77/571867777.db2.gz VFJUHTQVSJQQKO-APPZFPTMSA-N 1 1 167.208 1.677 10 0 ADAEMO COC(=O)[C@H](C)[N@H+]1CC[C@H]2CCC[C@H]21 38996673 571867819 /nfs/dbraw/zinc/86/78/19/571867819.db2.gz MGWPCXCSUHGMSO-IVZWLZJFSA-N 1 1 197.278 1.422 10 0 ADAEMO CC[C@@H]1CO[C@H](c2ccco2)[NH2+]1 38995822 571867842 /nfs/dbraw/zinc/86/78/42/571867842.db2.gz VFJUHTQVSJQQKO-VXNVDRBHSA-N 1 1 167.208 1.677 10 0 ADAEMO C[N@H+](CC1CC1)C[C@@H](O)C1CCCC1 158423218 571867944 /nfs/dbraw/zinc/86/79/44/571867944.db2.gz KBAKNCWSPAVURG-GFCCVEGCSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@H]1CC(=O)C[C@@H]2CCCC[N@@H+]12 6494870 571870106 /nfs/dbraw/zinc/87/01/06/571870106.db2.gz GDQCWCOVKFXWMP-IUCAKERBSA-N 1 1 167.252 1.592 10 0 endogenous,in-man ADAEMO CCC(=[NH2+])Nc1ccn[nH]1 39017151 571868834 /nfs/dbraw/zinc/86/88/34/571868834.db2.gz GAPIRTUXZZNFAC-UHFFFAOYSA-N 1 1 138.174 1.209 10 0 ADAEMO CCC(=[NH2+])Nc1cc[nH]n1 39017151 571868840 /nfs/dbraw/zinc/86/88/40/571868840.db2.gz GAPIRTUXZZNFAC-UHFFFAOYSA-N 1 1 138.174 1.209 10 0 ADAEMO C[N@@H+]1CNC(=O)CC12CCCCC2 38996170 571869102 /nfs/dbraw/zinc/86/91/02/571869102.db2.gz JXFCBSGUYSREHW-UHFFFAOYSA-N 1 1 182.267 1.099 10 0 ADAEMO C[N@H+]1CNC(=O)CC12CCCCC2 38996170 571869104 /nfs/dbraw/zinc/86/91/04/571869104.db2.gz JXFCBSGUYSREHW-UHFFFAOYSA-N 1 1 182.267 1.099 10 0 ADAEMO CN1CC[N@@H+](C)C1C(C)(C)C 205431245 571869498 /nfs/dbraw/zinc/86/94/98/571869498.db2.gz YYWHBNYEBGWFBK-UHFFFAOYSA-N 1 1 156.273 1.236 10 0 ADAEMO C[N@H+]1CCC[C@@H]1CNc1cccnc1 39018088 571869743 /nfs/dbraw/zinc/86/97/43/571869743.db2.gz XEKGUPOENBTYEB-LLVKDONJSA-N 1 1 191.278 1.588 10 0 ADAEMO CCNc1[nH+]c(C)cc(C)c1C(N)=O 196135992 571870141 /nfs/dbraw/zinc/87/01/41/571870141.db2.gz MMCMSMTWMCGJTH-UHFFFAOYSA-N 1 1 193.250 1.229 10 0 ADAEMO CONC1=[NH+]c2ccccc2SC1 196127745 571870224 /nfs/dbraw/zinc/87/02/24/571870224.db2.gz HZYLXGLUJKMAFA-UHFFFAOYSA-N 1 1 194.259 1.973 10 0 ADAEMO N[C@@H]1C2CC3CC(C2)CC(C3)[C@H]1[NH3+] 196123166 571870635 /nfs/dbraw/zinc/87/06/35/571870635.db2.gz FQEIQEGIJRLEEP-HZBUYSPTSA-N 1 1 180.295 1.097 10 0 ADAEMO N[C@H]1C2CC3CC(C2)CC(C3)[C@@H]1[NH3+] 196123175 571870775 /nfs/dbraw/zinc/87/07/75/571870775.db2.gz FQEIQEGIJRLEEP-FBCFSWGCSA-N 1 1 180.295 1.097 10 0 ADAEMO CN(C)c1cc[nH+]c2ccoc12 39038354 571871283 /nfs/dbraw/zinc/87/12/83/571871283.db2.gz LIBALPMJJWFFED-UHFFFAOYSA-N 1 1 162.192 1.894 10 0 ADAEMO CC[C@H]1[C@@H](O)C[C@@H]2CC[C@H]1[N@@H+]2C 39038489 571871412 /nfs/dbraw/zinc/87/14/12/571871412.db2.gz SILSQZJGGWRMEL-JLIMGVALSA-N 1 1 169.268 1.240 10 0 ADAEMO CNC(=O)c1c(C)cc(C)[nH+]c1NC 196136003 571871432 /nfs/dbraw/zinc/87/14/32/571871432.db2.gz FVOZAUAGILSMLW-UHFFFAOYSA-N 1 1 193.250 1.100 10 0 ADAEMO CC[C@@H](N)[C@@H]([NH3+])C1CCCCC1 39017548 571871971 /nfs/dbraw/zinc/87/19/71/571871971.db2.gz LEKXTOLKRNOPQQ-ZJUUUORDSA-N 1 1 170.300 1.631 10 0 ADAEMO CC[C@@H]([NH3+])[C@@H](N)C1CCCCC1 39017548 571871975 /nfs/dbraw/zinc/87/19/75/571871975.db2.gz LEKXTOLKRNOPQQ-ZJUUUORDSA-N 1 1 170.300 1.631 10 0 ADAEMO C[N@@H+]1[C@H]2CC[C@@H]1[C@H](O)c1ccncc12 39018047 571872015 /nfs/dbraw/zinc/87/20/15/571872015.db2.gz YDEFDHSHIKRZFX-HBNTYKKESA-N 1 1 190.246 1.264 10 0 ADAEMO CC(C)[N@@H+](CCO)CCCC(F)F 687872382 571872114 /nfs/dbraw/zinc/87/21/14/571872114.db2.gz GYXOWTZXSXUPHX-UHFFFAOYSA-N 1 1 195.253 1.734 10 0 ADAEMO C[C@@H]1CC(=O)C[C@@H]2CCCC[N@H+]21 6488104 571872501 /nfs/dbraw/zinc/87/25/01/571872501.db2.gz GDQCWCOVKFXWMP-BDAKNGLRSA-N 1 1 167.252 1.592 10 0 endogenous,in-man ADAEMO c1cc2c(c[nH+]1)C1(CC1)ON2 39050221 571872509 /nfs/dbraw/zinc/87/25/09/571872509.db2.gz BSHKBMMEQBUWEY-UHFFFAOYSA-N 1 1 148.165 1.428 10 0 ADAEMO COC1CC([NH2+][C@H](C)C(F)F)C1 234670773 571872560 /nfs/dbraw/zinc/87/25/60/571872560.db2.gz BQWMDMOYVAEUKZ-GRQBKTHUSA-N 1 1 179.210 1.407 10 0 ADAEMO COC1CC([NH2+][C@@H](C)C(F)F)C1 234669752 571872620 /nfs/dbraw/zinc/87/26/20/571872620.db2.gz BQWMDMOYVAEUKZ-VTSJMVTISA-N 1 1 179.210 1.407 10 0 ADAEMO NCC[N@H+](CCC1CCCC1)C1CC1 300747528 571873339 /nfs/dbraw/zinc/87/33/39/571873339.db2.gz JXEHLHHBEPQMEA-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO NCC[N@@H+](CCC1CCCC1)C1CC1 300747528 571873343 /nfs/dbraw/zinc/87/33/43/571873343.db2.gz JXEHLHHBEPQMEA-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO CSCCC[N@@H+](C)CCC(C)=O 300750000 571873432 /nfs/dbraw/zinc/87/34/32/571873432.db2.gz GBEBEARHCCBKKW-UHFFFAOYSA-N 1 1 189.324 1.650 10 0 ADAEMO CC[N@@H+](CCN)C[C@H](C)CSC 300747936 571873853 /nfs/dbraw/zinc/87/38/53/571873853.db2.gz DTSOBJAFYJLTLB-VIFPVBQESA-N 1 1 190.356 1.266 10 0 ADAEMO CCN(CC[NH3+])C[C@H](C)CSC 300747936 571873858 /nfs/dbraw/zinc/87/38/58/571873858.db2.gz DTSOBJAFYJLTLB-VIFPVBQESA-N 1 1 190.356 1.266 10 0 ADAEMO CC[N@@H+](CCN)[C@H]1CCC[C@H]1C 300750509 571874002 /nfs/dbraw/zinc/87/40/02/571874002.db2.gz GMXUYJDYBCXIAL-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO O[C@@H]1CCC[N@@H+](CCCC(F)F)C1 687872787 571874351 /nfs/dbraw/zinc/87/43/51/571874351.db2.gz HIZOSRPNJJLEST-MRVPVSSYSA-N 1 1 193.237 1.488 10 0 ADAEMO O[C@H]1CCC[N@@H+](CCCC(F)F)C1 687872790 571874163 /nfs/dbraw/zinc/87/41/63/571874163.db2.gz HIZOSRPNJJLEST-QMMMGPOBSA-N 1 1 193.237 1.488 10 0 ADAEMO CC[N@@H+](CCN)[C@@H]1CCC[C@H]1C 300750504 571874198 /nfs/dbraw/zinc/87/41/98/571874198.db2.gz GMXUYJDYBCXIAL-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[N@@H+](CCN)[C@H]1CCC[C@@H]1C 300750506 571874256 /nfs/dbraw/zinc/87/42/56/571874256.db2.gz GMXUYJDYBCXIAL-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO C/C(=C\Cl)C[N@@H+](C)CCCO 300748365 571874413 /nfs/dbraw/zinc/87/44/13/571874413.db2.gz FBRSYGIJSIRPJP-SOFGYWHQSA-N 1 1 177.675 1.443 10 0 ADAEMO CSCCC[N@@H+](C)[C@H](C)C(C)=O 300748327 571874450 /nfs/dbraw/zinc/87/44/50/571874450.db2.gz 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162.236 1.131 10 0 ADAEMO CC(C)=CC[NH2+][C@H](C)CCN(C)C 235427373 571902078 /nfs/dbraw/zinc/90/20/78/571902078.db2.gz GDXKJQQHHBIHMV-LLVKDONJSA-N 1 1 184.327 1.882 10 0 ADAEMO CC[C@H](C)[C@H]([NH3+])CN(CC)CC 39141018 571902242 /nfs/dbraw/zinc/90/22/42/571902242.db2.gz RAZFBRDJBOAURR-VHSXEESVSA-N 1 1 172.316 1.702 10 0 ADAEMO C[C@@H]1c2ccccc2[C@@H]([NH3+])[C@@H]1N 39135999 571902304 /nfs/dbraw/zinc/90/23/04/571902304.db2.gz SFNDECOFAHQSIF-BDODKLCJSA-N 1 1 162.236 1.131 10 0 ADAEMO CC[N@@H+](CCN)[C@@H]1CCCC[C@@H]1C 300766560 571902500 /nfs/dbraw/zinc/90/25/00/571902500.db2.gz BVHXKAWDWCOHFA-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[N@@H+](CCN)[C@H]1CCCC[C@H]1C 300766556 571902644 /nfs/dbraw/zinc/90/26/44/571902644.db2.gz BVHXKAWDWCOHFA-MNOVXSKESA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+][C@@H](CN1C[C@H]2CC[C@H]2C1)C1CC1 711129926 571902680 /nfs/dbraw/zinc/90/26/80/571902680.db2.gz QVDHODVOPKWISU-TUAOUCFPSA-N 1 1 194.322 1.326 10 0 ADAEMO CC[C@H]1CCCC[N@H+]1CCC(N)=O 33432774 571902890 /nfs/dbraw/zinc/90/28/90/571902890.db2.gz XOZKFEMRSSRRNM-VIFPVBQESA-N 1 1 184.283 1.126 10 0 ADAEMO CCCCN(C)C[C@@H]([NH3+])C(C)C 39141120 571902992 /nfs/dbraw/zinc/90/29/92/571902992.db2.gz NXRIMDITIISSKC-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO C=C/C(C)=C\[NH+]1CCOCC1 39136725 571903049 /nfs/dbraw/zinc/90/30/49/571903049.db2.gz WEIOEOZEFXKYOA-HJWRWDBZSA-N 1 1 153.225 1.408 10 0 ADAEMO C[C@H](C[NH+](C)C)NC/C=C/Cl 235439816 571903173 /nfs/dbraw/zinc/90/31/73/571903173.db2.gz YFCGCXYQCUOUHK-WTSVBCDHSA-N 1 1 176.691 1.279 10 0 ADAEMO CC[N@@H+](CCCC(N)=O)C(C)(C)C 33432797 571903790 /nfs/dbraw/zinc/90/37/90/571903790.db2.gz KVCIVSRDORGRII-UHFFFAOYSA-N 1 1 186.299 1.372 10 0 ADAEMO CC[C@@H](C)[C@H]([NH3+])CN(CC)CC 39141015 571903960 /nfs/dbraw/zinc/90/39/60/571903960.db2.gz RAZFBRDJBOAURR-NXEZZACHSA-N 1 1 172.316 1.702 10 0 ADAEMO C[C@H](CC[NH+](C)C)[NH2+]C/C=C/Cl 235428999 571904319 /nfs/dbraw/zinc/90/43/19/571904319.db2.gz SOXUAVGBVCFHGA-OTQAPUNGSA-N 1 1 190.718 1.669 10 0 ADAEMO C[C@H](CCN(C)C)[NH2+]C/C=C/Cl 235428999 571904322 /nfs/dbraw/zinc/90/43/22/571904322.db2.gz SOXUAVGBVCFHGA-OTQAPUNGSA-N 1 1 190.718 1.669 10 0 ADAEMO CC[N@@H+](CCN)[C@H]1CCCC[C@@H]1C 300766558 571904366 /nfs/dbraw/zinc/90/43/66/571904366.db2.gz BVHXKAWDWCOHFA-QWRGUYRKSA-N 1 1 184.327 1.846 10 0 ADAEMO O=C1CCC[C@@H]([N@@H+]2C[C@H]3CC[C@H]3C2)C1 711142847 571904403 /nfs/dbraw/zinc/90/44/03/571904403.db2.gz JYZDWMIOLFHKOV-OUAUKWLOSA-N 1 1 193.290 1.840 10 0 ADAEMO COC1CC([NH2+]Cc2ncc(C)o2)C1 234706766 571904795 /nfs/dbraw/zinc/90/47/95/571904795.db2.gz IONJMOWVNJJQGI-UHFFFAOYSA-N 1 1 196.250 1.250 10 0 ADAEMO C[NH+]1CCN([C@H]2C=CC=CC2)CC1 39114112 571904909 /nfs/dbraw/zinc/90/49/09/571904909.db2.gz MPWQOFMWGVGFAR-NSHDSACASA-N 1 1 178.279 1.119 10 0 ADAEMO C[N@@H+](c1ccc(N)c(N)c1)C1CCC1 234265734 571905173 /nfs/dbraw/zinc/90/51/73/571905173.db2.gz IFNMGTAJJQOBNY-UHFFFAOYSA-N 1 1 191.278 1.840 10 0 ADAEMO C[N@H+](c1ccc(N)c(N)c1)C1CCC1 234265734 571905175 /nfs/dbraw/zinc/90/51/75/571905175.db2.gz IFNMGTAJJQOBNY-UHFFFAOYSA-N 1 1 191.278 1.840 10 0 ADAEMO C[N@H+]1CCC[C@H]1CNc1cccnc1 39148345 571905727 /nfs/dbraw/zinc/90/57/27/571905727.db2.gz XEKGUPOENBTYEB-NSHDSACASA-N 1 1 191.278 1.588 10 0 ADAEMO CC[C@@H](N)[C@@H]([NH3+])c1ccccc1 39184810 571905899 /nfs/dbraw/zinc/90/58/99/571905899.db2.gz UAPMHEYCIXSVSK-ZJUUUORDSA-N 1 1 164.252 1.424 10 0 ADAEMO CC[C@@H]1CCC[C@@H]1[N@@H+](CC)CCN 300768947 571905936 /nfs/dbraw/zinc/90/59/36/571905936.db2.gz CGWRUJJHPOMTAE-MNOVXSKESA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH+]1CCN([C@@H]2C=CC=CC2)CC1 39114113 571906091 /nfs/dbraw/zinc/90/60/91/571906091.db2.gz MPWQOFMWGVGFAR-LLVKDONJSA-N 1 1 178.279 1.119 10 0 ADAEMO C/C=C\C[N@H+](C)CCC(=O)OC 219653394 571906292 /nfs/dbraw/zinc/90/62/92/571906292.db2.gz GHKFRKWAFNPWKS-PLNGDYQASA-N 1 1 171.240 1.057 10 0 ADAEMO CC[C@H]1CCC[C@@H]1[N@@H+](CC)CCN 300768950 571906307 /nfs/dbraw/zinc/90/63/07/571906307.db2.gz CGWRUJJHPOMTAE-QWRGUYRKSA-N 1 1 184.327 1.846 10 0 ADAEMO CC1CCC([C@H]2C[NH2+]CCN2)CC1 39114364 571906376 /nfs/dbraw/zinc/90/63/76/571906376.db2.gz BSTJHDVMXXIZEN-VQXHTEKXSA-N 1 1 182.311 1.374 10 0 ADAEMO CC[C@H]1C[N@@H+](C[C@@H](C)OC)CCC1=O 229754698 571906499 /nfs/dbraw/zinc/90/64/99/571906499.db2.gz RMXBPILMTFWVSJ-ZJUUUORDSA-N 1 1 199.294 1.322 10 0 ADAEMO CC[C@H]1CCC[C@H]1[N@@H+](CC)CCN 300768954 571906542 /nfs/dbraw/zinc/90/65/42/571906542.db2.gz CGWRUJJHPOMTAE-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO OC[C@H]1CCC[N@@H+](Cc2cc[nH]c2)C1 124974776 571906641 /nfs/dbraw/zinc/90/66/41/571906641.db2.gz GYJCGOSRUAMBDP-NSHDSACASA-N 1 1 194.278 1.219 10 0 ADAEMO CN1CC[NH+](C2C=CCC=C2)CC1 39114111 571906667 /nfs/dbraw/zinc/90/66/67/571906667.db2.gz NWADIRHFBRVAEE-UHFFFAOYSA-N 1 1 178.279 1.119 10 0 ADAEMO Cc1nc(C[NH2+][C@H](C)CC2CC2)no1 235434742 571906707 /nfs/dbraw/zinc/90/67/07/571906707.db2.gz JJKYKBBRGJEYMF-SSDOTTSWSA-N 1 1 195.266 1.656 10 0 ADAEMO C[C@@H]1C[C@@H](O)CC[N@H+]1C/C=C\Cl 379324563 571906727 /nfs/dbraw/zinc/90/67/27/571906727.db2.gz ZPUCGXTVIGRGRV-SJLHTBIVSA-N 1 1 189.686 1.584 10 0 ADAEMO C[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@H]1O 379323562 571906831 /nfs/dbraw/zinc/90/68/31/571906831.db2.gz RAVDOTZMFLQSMR-HWTYGCMBSA-N 1 1 189.686 1.442 10 0 ADAEMO C[C@H](CC(F)(F)F)[NH2+]CC1(N)CC1 235445635 571908769 /nfs/dbraw/zinc/90/87/69/571908769.db2.gz IHRIIMXZQLJGGF-ZCFIWIBFSA-N 1 1 196.216 1.408 10 0 ADAEMO C[C@@H]1C[C@H](O)CC[N@H+]1C/C=C\Cl 379324562 571907376 /nfs/dbraw/zinc/90/73/76/571907376.db2.gz ZPUCGXTVIGRGRV-HWTYGCMBSA-N 1 1 189.686 1.584 10 0 ADAEMO c1ccc2c(c1)OC[C@@H]1OCC[NH2+][C@H]21 39202084 571907460 /nfs/dbraw/zinc/90/74/60/571907460.db2.gz OBKRGSXABDXYFB-WDEREUQCSA-N 1 1 191.230 1.109 10 0 ADAEMO c1ccc2c(c1)OC[C@H]1OCC[NH2+][C@H]21 39202085 571907697 /nfs/dbraw/zinc/90/76/97/571907697.db2.gz OBKRGSXABDXYFB-GHMZBOCLSA-N 1 1 191.230 1.109 10 0 ADAEMO C[N@H+]1CCC[C@@H](O)[C@@H]1c1ccccc1 39185441 571907997 /nfs/dbraw/zinc/90/79/97/571907997.db2.gz ZEMBGACKMJOUSY-NEPJUHHUSA-N 1 1 191.274 1.814 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 39203165 571908006 /nfs/dbraw/zinc/90/80/06/571908006.db2.gz RLGNUDZFWFQELR-VXGBXAGGSA-N 1 1 191.274 1.814 10 0 ADAEMO C/C(=C/Cl)C[N@@H+]1C[C@H](C)[C@H](O)C1 388164572 571908785 /nfs/dbraw/zinc/90/87/85/571908785.db2.gz KOLCYCIICGBJKD-LBGXYMLMSA-N 1 1 189.686 1.442 10 0 ADAEMO CC[N@@H+](CCN)[C@H](C)C1CC1 300770123 571908111 /nfs/dbraw/zinc/90/81/11/571908111.db2.gz QAQXMIRXXRUYBH-MRVPVSSYSA-N 1 1 156.273 1.066 10 0 ADAEMO CCN(CC[NH3+])[C@H](C)C1CC1 300770123 571908116 /nfs/dbraw/zinc/90/81/16/571908116.db2.gz QAQXMIRXXRUYBH-MRVPVSSYSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@H](CC(F)(F)F)NC1CC([NH3+])C1 235443816 571908521 /nfs/dbraw/zinc/90/85/21/571908521.db2.gz QESYTWQOZAGPFA-GRQBKTHUSA-N 1 1 196.216 1.407 10 0 ADAEMO CSCCC[N@H+](C)C(C)(C)C[NH3+] 300770171 571908585 /nfs/dbraw/zinc/90/85/85/571908585.db2.gz QBSBPPKYRGVOMT-UHFFFAOYSA-N 1 1 190.356 1.409 10 0 ADAEMO CSCCC[N@H+](C)C(C)(C)CN 300770171 571908591 /nfs/dbraw/zinc/90/85/91/571908591.db2.gz QBSBPPKYRGVOMT-UHFFFAOYSA-N 1 1 190.356 1.409 10 0 ADAEMO CSCCC[N@@H+](C)C(C)(C)CN 300770171 571908594 /nfs/dbraw/zinc/90/85/94/571908594.db2.gz QBSBPPKYRGVOMT-UHFFFAOYSA-N 1 1 190.356 1.409 10 0 ADAEMO C[C@H](CC(F)(F)F)NCC1C[NH2+]C1 235445837 571908986 /nfs/dbraw/zinc/90/89/86/571908986.db2.gz GMIISORNQGHXMG-ZCFIWIBFSA-N 1 1 196.216 1.136 10 0 ADAEMO C[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@@H]1O 379323563 571909008 /nfs/dbraw/zinc/90/90/08/571909008.db2.gz RAVDOTZMFLQSMR-SJLHTBIVSA-N 1 1 189.686 1.442 10 0 ADAEMO C[N@H+]1CC[C@@H](CNC/C=C/Cl)C1 234377439 571909629 /nfs/dbraw/zinc/90/96/29/571909629.db2.gz XFVYSBLXISRZIL-LXOKAJLYSA-N 1 1 188.702 1.280 10 0 ADAEMO Cc1cccc(C)c1C[NH+]1CC(O)C1 126364175 571909360 /nfs/dbraw/zinc/90/93/60/571909360.db2.gz GQTHJQCRGXNPCR-UHFFFAOYSA-N 1 1 191.274 1.480 10 0 ADAEMO CCC(C)(C)C[N@@H+](CCN)C1CC1 713128784 571909442 /nfs/dbraw/zinc/90/94/42/571909442.db2.gz XHAONOXUFIIQTQ-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC(C)(C)CN(CC[NH3+])C1CC1 713128784 571909446 /nfs/dbraw/zinc/90/94/46/571909446.db2.gz XHAONOXUFIIQTQ-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO C[N@@H+]1CC[C@@H](CNC/C=C/Cl)C1 234377439 571909626 /nfs/dbraw/zinc/90/96/26/571909626.db2.gz XFVYSBLXISRZIL-LXOKAJLYSA-N 1 1 188.702 1.280 10 0 ADAEMO CC[N@H+]1CCC[C@H]1/C=C/CO 687678187 571909597 /nfs/dbraw/zinc/90/95/97/571909597.db2.gz WZMIKGMPUHPTRJ-DNQSNQRASA-N 1 1 155.241 1.019 10 0 ADAEMO C[C@H](C[NH+]1CCCC1)Nc1ncc[nH]1 235437792 571909897 /nfs/dbraw/zinc/90/98/97/571909897.db2.gz SBCOSHMMLVXCEX-SECBINFHSA-N 1 1 194.282 1.306 10 0 ADAEMO Cc1cc(CN[C@H](C)CC[NH3+])ccn1 235442147 571910108 /nfs/dbraw/zinc/91/01/08/571910108.db2.gz LNFXOGNGYFJEHF-SECBINFHSA-N 1 1 193.294 1.217 10 0 ADAEMO CC(C)NCC[NH2+]C1CCCCC1 39207838 571910464 /nfs/dbraw/zinc/91/04/64/571910464.db2.gz DBRGWCAEALJVFO-UHFFFAOYSA-N 1 1 184.327 1.907 10 0 ADAEMO C[NH2+]C[C@H](C)CN(C)CC=C(C)C 234377512 571910519 /nfs/dbraw/zinc/91/05/19/571910519.db2.gz LLJAQKJAYSFSGV-NSHDSACASA-N 1 1 184.327 1.740 10 0 ADAEMO Cc1cn(C)c(N[C@H](C)C[NH+](C)C)n1 235451881 571911085 /nfs/dbraw/zinc/91/10/85/571911085.db2.gz PDAGEJZRTOARHA-MRVPVSSYSA-N 1 1 196.298 1.091 10 0 ADAEMO C[N@H+]1CCC[C@H]1C/C=C/CO 687678183 571910960 /nfs/dbraw/zinc/91/09/60/571910960.db2.gz PSXWYWHANGGTHW-GKQMSVHHSA-N 1 1 155.241 1.019 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1/C=C/CO 687678188 571911265 /nfs/dbraw/zinc/91/12/65/571911265.db2.gz WZMIKGMPUHPTRJ-OTQAPUNGSA-N 1 1 155.241 1.019 10 0 ADAEMO C[C@@H](CN[C@H](C)C[NH3+])c1nccs1 235453779 571911395 /nfs/dbraw/zinc/91/13/95/571911395.db2.gz CHPWEANMSANVLW-JGVFFNPUSA-N 1 1 199.323 1.183 10 0 ADAEMO CN(Cc1ncccc1C[NH3+])C1CC1 300769562 571911460 /nfs/dbraw/zinc/91/14/60/571911460.db2.gz PMQOQEYPWLMIAX-UHFFFAOYSA-N 1 1 191.278 1.135 10 0 ADAEMO CC[C@H](N)C[NH2+]CC[C@@H]1C[C@H]1C1CC1 712655481 571911608 /nfs/dbraw/zinc/91/16/08/571911608.db2.gz WLILUANMEVWJHD-WOPDTQHZSA-N 1 1 196.338 1.750 10 0 ADAEMO C[C@H](CC[NH3+])NCc1ccccc1N 235442087 571911741 /nfs/dbraw/zinc/91/17/41/571911741.db2.gz MEKIZYUDXWPJCM-SECBINFHSA-N 1 1 193.294 1.096 10 0 ADAEMO C[N@H+]1CCC[C@H]1/C=C/CCO 687678235 571911858 /nfs/dbraw/zinc/91/18/58/571911858.db2.gz PTJVHLYFRSPYJN-OSOUNJMWSA-N 1 1 155.241 1.019 10 0 ADAEMO C[N@H+]1CCCC[C@H]1/C=C/CO 687678179 571911878 /nfs/dbraw/zinc/91/18/78/571911878.db2.gz JQVNDHNGIUZHFF-DNQSNQRASA-N 1 1 155.241 1.019 10 0 ADAEMO C[C@H](C[NH3+])NC[C@@H](C)c1nccs1 235452840 571911906 /nfs/dbraw/zinc/91/19/06/571911906.db2.gz CHPWEANMSANVLW-HTQZYQBOSA-N 1 1 199.323 1.183 10 0 ADAEMO C[N@H+]1CCC[C@@H]1/C=C/CCO 687678234 571911783 /nfs/dbraw/zinc/91/17/83/571911783.db2.gz PTJVHLYFRSPYJN-MAHOQKISSA-N 1 1 155.241 1.019 10 0 ADAEMO CC[C@@H](N)C[NH2+]CC[C@@H]1C[C@H]1C1CC1 712655476 571912625 /nfs/dbraw/zinc/91/26/25/571912625.db2.gz WLILUANMEVWJHD-UTUOFQBUSA-N 1 1 196.338 1.750 10 0 ADAEMO CC(C)=CC[NH2+]C[C@@H]1CC[N@H+](C)C1 234376918 571912451 /nfs/dbraw/zinc/91/24/51/571912451.db2.gz NEHSXYYNAGZCTC-NSHDSACASA-N 1 1 182.311 1.494 10 0 ADAEMO C[N@H+]1CCC[C@@H]1C/C=C/CO 687678184 571912374 /nfs/dbraw/zinc/91/23/74/571912374.db2.gz PSXWYWHANGGTHW-HPOULIHZSA-N 1 1 155.241 1.019 10 0 ADAEMO CC(C)=CC[NH2+]C[C@@H]1CCN(C)C1 234376918 571912454 /nfs/dbraw/zinc/91/24/54/571912454.db2.gz NEHSXYYNAGZCTC-NSHDSACASA-N 1 1 182.311 1.494 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1/C=C/CO 687678180 571912486 /nfs/dbraw/zinc/91/24/86/571912486.db2.gz JQVNDHNGIUZHFF-OTQAPUNGSA-N 1 1 155.241 1.019 10 0 ADAEMO C[C@H](N)[C@@H]([NH3+])c1ccccc1 39234752 571912682 /nfs/dbraw/zinc/91/26/82/571912682.db2.gz PRCXGQJVEKZKQR-IONNQARKSA-N 1 1 150.225 1.034 10 0 ADAEMO C[N@H+]1CCC[C@@H](C/C=C/CO)C1 687679092 571912871 /nfs/dbraw/zinc/91/28/71/571912871.db2.gz SXHPBZJFQCYPSH-VMZHVLLKSA-N 1 1 169.268 1.267 10 0 ADAEMO C[N@H+]1CC[C@@H](C/C=C/CCO)C1 687679009 571912957 /nfs/dbraw/zinc/91/29/57/571912957.db2.gz LBYUHAAUTZIXQO-VMZHVLLKSA-N 1 1 169.268 1.267 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1/C=C/CO 687679085 571913037 /nfs/dbraw/zinc/91/30/37/571913037.db2.gz PSPAYUOWIKJCCY-DFVUYQKZSA-N 1 1 169.268 1.408 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1/C=C/CO 687679086 571913045 /nfs/dbraw/zinc/91/30/45/571913045.db2.gz PSPAYUOWIKJCCY-RWCYGVJQSA-N 1 1 169.268 1.408 10 0 ADAEMO C[N@H+]1CCC[C@H](/C=C/CCO)C1 687679051 571913111 /nfs/dbraw/zinc/91/31/11/571913111.db2.gz DWDBGTIGLRMWBG-FWYAXHSGSA-N 1 1 169.268 1.267 10 0 ADAEMO CC[C@H](N)C[NH2+]CC[C@H]1C[C@@H]1C1CC1 712655443 571913193 /nfs/dbraw/zinc/91/31/93/571913193.db2.gz WLILUANMEVWJHD-SDDRHHMPSA-N 1 1 196.338 1.750 10 0 ADAEMO C[N@H+]1CC[C@H](C/C=C/CCO)C1 687679008 571913222 /nfs/dbraw/zinc/91/32/22/571913222.db2.gz LBYUHAAUTZIXQO-PBKGFPTLSA-N 1 1 169.268 1.267 10 0 ADAEMO CC[N@H+]1CC[C@H](/C=C/CCO)C1 687679013 571913308 /nfs/dbraw/zinc/91/33/08/571913308.db2.gz RTDWEUSQCVQHKK-GFAPAMAISA-N 1 1 169.268 1.267 10 0 ADAEMO C[N@H+]1CCC[C@@H](/C=C/CCO)C1 687679052 571913497 /nfs/dbraw/zinc/91/34/97/571913497.db2.gz DWDBGTIGLRMWBG-JYBNPQIESA-N 1 1 169.268 1.267 10 0 ADAEMO CC[C@@H](N)C[NH2+]CC[C@H]1C[C@H]1C1CC1 712655473 571913498 /nfs/dbraw/zinc/91/34/98/571913498.db2.gz WLILUANMEVWJHD-TUAOUCFPSA-N 1 1 196.338 1.750 10 0 ADAEMO CC[N@H+]1CC[C@@H](C/C=C/CO)C1 687679084 571913524 /nfs/dbraw/zinc/91/35/24/571913524.db2.gz MUYHYGTWKMBRER-HMDXOVGESA-N 1 1 169.268 1.267 10 0 ADAEMO CC[N@H+]1CC[C@H](C/C=C/CO)C1 687679083 571913619 /nfs/dbraw/zinc/91/36/19/571913619.db2.gz MUYHYGTWKMBRER-FSIBCCDJSA-N 1 1 169.268 1.267 10 0 ADAEMO C[N@H+]1CCC[C@H]1C/C=C/CCO 687679058 571913628 /nfs/dbraw/zinc/91/36/28/571913628.db2.gz MQTKTCCSDGLZBR-VMZHVLLKSA-N 1 1 169.268 1.409 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1/C=C/CO 687679087 571913859 /nfs/dbraw/zinc/91/38/59/571913859.db2.gz QLZSSMXSELXACP-BREXMAIKSA-N 1 1 169.268 1.409 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1C/C=C/CO 687679080 571913967 /nfs/dbraw/zinc/91/39/67/571913967.db2.gz IFJTYZITHDZZLA-FSIBCCDJSA-N 1 1 169.268 1.409 10 0 ADAEMO CC[N@H+]1CCC[C@H]1C/C=C/CO 687679081 571914251 /nfs/dbraw/zinc/91/42/51/571914251.db2.gz IFJTYZITHDZZLA-HMDXOVGESA-N 1 1 169.268 1.409 10 0 ADAEMO C[N@H+]1CCCC[C@H]1C/C=C/CO 687679077 571914397 /nfs/dbraw/zinc/91/43/97/571914397.db2.gz FMLSUWXIOPVBNW-GFAPAMAISA-N 1 1 169.268 1.409 10 0 ADAEMO CC[N@H+]1CCC[C@H]1/C=C/CCO 687679066 571914436 /nfs/dbraw/zinc/91/44/36/571914436.db2.gz SMNDXQIAYBTICP-QLCVYAKKSA-N 1 1 169.268 1.409 10 0 ADAEMO C[N@H+]1CCC[C@H](C/C=C/CO)C1 687679091 571914534 /nfs/dbraw/zinc/91/45/34/571914534.db2.gz SXHPBZJFQCYPSH-PBKGFPTLSA-N 1 1 169.268 1.267 10 0 ADAEMO CC[N@H+]1CC[C@@H](/C=C/CCO)C1 687679014 571914740 /nfs/dbraw/zinc/91/47/40/571914740.db2.gz RTDWEUSQCVQHKK-RXNUUUNCSA-N 1 1 169.268 1.267 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1/C=C/CO 687679088 571914799 /nfs/dbraw/zinc/91/47/99/571914799.db2.gz QLZSSMXSELXACP-STUBTGCMSA-N 1 1 169.268 1.409 10 0 ADAEMO C[C@H]1CCC[C@H](COC(=O)[C@@H](C)[NH3+])C1 300772598 571914872 /nfs/dbraw/zinc/91/48/72/571914872.db2.gz QDPWLNCZGAGPMZ-AEJSXWLSSA-N 1 1 199.294 1.703 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1/C=C/CCO 687679067 571915594 /nfs/dbraw/zinc/91/55/94/571915594.db2.gz SMNDXQIAYBTICP-YVGDHZEHSA-N 1 1 169.268 1.409 10 0 ADAEMO C[C@H]([NH3+])C(=O)OC[C@@H]1CCC[C@@H](C)C1 300772602 571916036 /nfs/dbraw/zinc/91/60/36/571916036.db2.gz QDPWLNCZGAGPMZ-KXUCPTDWSA-N 1 1 199.294 1.703 10 0 ADAEMO Cc1nc(C[NH2+]C[C@@H](C)C2CC2)no1 235463451 571915225 /nfs/dbraw/zinc/91/52/25/571915225.db2.gz OYWGWIBNEJAFNU-SSDOTTSWSA-N 1 1 195.266 1.514 10 0 ADAEMO C[N@H+]1CCC[C@@H]1C/C=C/CCO 687679057 571915227 /nfs/dbraw/zinc/91/52/27/571915227.db2.gz MQTKTCCSDGLZBR-PBKGFPTLSA-N 1 1 169.268 1.409 10 0 ADAEMO C/C=C/CN(C)C[C@@H](C)C[NH2+]C 234378965 571915242 /nfs/dbraw/zinc/91/52/42/571915242.db2.gz XLUGSIZEBKZHEL-PORFMDCZSA-N 1 1 170.300 1.350 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1C/C=C/CO 687679078 571915466 /nfs/dbraw/zinc/91/54/66/571915466.db2.gz FMLSUWXIOPVBNW-RXNUUUNCSA-N 1 1 169.268 1.409 10 0 ADAEMO C[C@@H]1CCC[C@@H](COC(=O)[C@@H](C)[NH3+])C1 300772604 571915697 /nfs/dbraw/zinc/91/56/97/571915697.db2.gz QDPWLNCZGAGPMZ-OPRDCNLKSA-N 1 1 199.294 1.703 10 0 ADAEMO C/C=C/C=C/C[NH+]1CCOCC1 39242502 571915770 /nfs/dbraw/zinc/91/57/70/571915770.db2.gz HENKQYUNEPYEQU-MQQKCMAXSA-N 1 1 167.252 1.451 10 0 ADAEMO C[C@H]([NH3+])C(=O)OC[C@H]1CCC[C@@H](C)C1 300772605 571915772 /nfs/dbraw/zinc/91/57/72/571915772.db2.gz QDPWLNCZGAGPMZ-UTLUCORTSA-N 1 1 199.294 1.703 10 0 ADAEMO C[N@@H+](CCCO)C[C@@H]1CCCCC1=O 300772227 571915947 /nfs/dbraw/zinc/91/59/47/571915947.db2.gz CYRSWGGMGWYYKT-JTQLQIEISA-N 1 1 199.294 1.060 10 0 ADAEMO CC[C@]1(C)OC(=[NH2+])C=C1N 39259440 571916628 /nfs/dbraw/zinc/91/66/28/571916628.db2.gz PROLKTYKUMBTIZ-ZETCQYMHSA-N 1 1 140.186 1.005 10 0 ADAEMO Cc1nc(CC(C)C)n2c1C[NH+]=CN2 39255539 571916286 /nfs/dbraw/zinc/91/62/86/571916286.db2.gz DAFXOQPSJQHICC-UHFFFAOYSA-N 1 1 192.266 1.475 10 0 ADAEMO C[NH2+]CC[NH2+]CC1(C)CCCCC1 234381414 571916429 /nfs/dbraw/zinc/91/64/29/571916429.db2.gz PJWIMUVMSQQBMD-UHFFFAOYSA-N 1 1 184.327 1.766 10 0 ADAEMO C[C@@H]1CCC[C@H](COC(=O)[C@@H](C)[NH3+])C1 300772599 571916460 /nfs/dbraw/zinc/91/64/60/571916460.db2.gz QDPWLNCZGAGPMZ-BBBLOLIVSA-N 1 1 199.294 1.703 10 0 ADAEMO C[N@H+]1CC[C@H]2[C@@H](O)CCC[C@@H]2C1 39251753 571916480 /nfs/dbraw/zinc/91/64/80/571916480.db2.gz RVRQGLCVHWGZKG-BBBLOLIVSA-N 1 1 169.268 1.099 10 0 ADAEMO CC(=O)[C@@H]1CC[N@H+]1C(C)(C)C 39255261 571916575 /nfs/dbraw/zinc/91/65/75/571916575.db2.gz AGLGIBQZKRUSBQ-QMMMGPOBSA-N 1 1 155.241 1.448 10 0 ADAEMO C[NH2+]Cc1nc(CCC(C)(C)C)no1 300775324 571916797 /nfs/dbraw/zinc/91/67/97/571916797.db2.gz AMMJUBSCLZDCNO-UHFFFAOYSA-N 1 1 197.282 1.768 10 0 ADAEMO C[C@H](C[NH2+]C1CC1)[NH2+]C[C@@H]1CC1(C)C 235457994 571916873 /nfs/dbraw/zinc/91/68/73/571916873.db2.gz CLJWSFVUDBGDIF-ZJUUUORDSA-N 1 1 196.338 1.763 10 0 ADAEMO CC(=O)[C@H]1CC[N@H+]1C(C)(C)C 39255262 571916949 /nfs/dbraw/zinc/91/69/49/571916949.db2.gz AGLGIBQZKRUSBQ-MRVPVSSYSA-N 1 1 155.241 1.448 10 0 ADAEMO CSCCC[N@H+](C)[C@H](C)CN 300772701 571917275 /nfs/dbraw/zinc/91/72/75/571917275.db2.gz QXQZQILKPRZARB-MRVPVSSYSA-N 1 1 176.329 1.019 10 0 ADAEMO C[N@H+]1CC[C@@H]2[C@@H](O)CCC[C@@H]2C1 39251754 571917296 /nfs/dbraw/zinc/91/72/96/571917296.db2.gz RVRQGLCVHWGZKG-UTLUCORTSA-N 1 1 169.268 1.099 10 0 ADAEMO C[N@@H+](CCCO)C[C@H]1CCCCC1=O 300772228 571917305 /nfs/dbraw/zinc/91/73/05/571917305.db2.gz CYRSWGGMGWYYKT-SNVBAGLBSA-N 1 1 199.294 1.060 10 0 ADAEMO CSCCC[N@@H+](C)CC1([NH3+])CC1 300773551 571917348 /nfs/dbraw/zinc/91/73/48/571917348.db2.gz RHCMELLBIYSBSW-UHFFFAOYSA-N 1 1 188.340 1.163 10 0 ADAEMO CSCCC[N@H+](C)CC1(N)CC1 300773551 571917352 /nfs/dbraw/zinc/91/73/52/571917352.db2.gz RHCMELLBIYSBSW-UHFFFAOYSA-N 1 1 188.340 1.163 10 0 ADAEMO CSCCC[N@@H+](C)CC1(N)CC1 300773551 571917354 /nfs/dbraw/zinc/91/73/54/571917354.db2.gz RHCMELLBIYSBSW-UHFFFAOYSA-N 1 1 188.340 1.163 10 0 ADAEMO C[N@@H+](CCCO)CCCC(F)(F)F 300772958 571917434 /nfs/dbraw/zinc/91/74/34/571917434.db2.gz DDLGIIPMVIBIJM-UHFFFAOYSA-N 1 1 199.216 1.643 10 0 ADAEMO C[C@H]1CCC[C@@H](COC(=O)[C@H](C)[NH3+])C1 300772603 571917453 /nfs/dbraw/zinc/91/74/53/571917453.db2.gz QDPWLNCZGAGPMZ-LPEHRKFASA-N 1 1 199.294 1.703 10 0 ADAEMO [NH3+]CC=Cc1cccc2nc[nH]c12 687679462 571917656 /nfs/dbraw/zinc/91/76/56/571917656.db2.gz GUTDEZGKOCCKHM-RQOWECAXSA-N 1 1 173.219 1.535 10 0 ADAEMO C[C@H]1CCC[C@H](COC(=O)[C@H](C)[NH3+])C1 300772600 571917627 /nfs/dbraw/zinc/91/76/27/571917627.db2.gz QDPWLNCZGAGPMZ-GUBZILKMSA-N 1 1 199.294 1.703 10 0 ADAEMO CC[N@@H+](CCN)[C@H](C)CC1CCC1 300772741 571917691 /nfs/dbraw/zinc/91/76/91/571917691.db2.gz DBEBJMQNWXJOTA-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CCN(CC[NH3+])[C@H](C)CC1CCC1 300772741 571917694 /nfs/dbraw/zinc/91/76/94/571917694.db2.gz DBEBJMQNWXJOTA-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[N@@H+](CCN)[C@@H](C)CC1CCC1 300772738 571917728 /nfs/dbraw/zinc/91/77/28/571917728.db2.gz DBEBJMQNWXJOTA-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CCN(CC[NH3+])[C@@H](C)CC1CCC1 300772738 571917731 /nfs/dbraw/zinc/91/77/31/571917731.db2.gz DBEBJMQNWXJOTA-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@]1(C)OC(=[NH2+])C=C1N 39259439 571917952 /nfs/dbraw/zinc/91/79/52/571917952.db2.gz PROLKTYKUMBTIZ-SSDOTTSWSA-N 1 1 140.186 1.005 10 0 ADAEMO Cc1c[nH]c(NC[C@@H](C)[NH+](C)C)n1 235485827 571918144 /nfs/dbraw/zinc/91/81/44/571918144.db2.gz FCHOPPBKURKPCF-MRVPVSSYSA-N 1 1 182.271 1.080 10 0 ADAEMO Cc1cn(C)c(NC[C@@H](C)[NH+](C)C)n1 235486660 571918149 /nfs/dbraw/zinc/91/81/49/571918149.db2.gz KDSPKCGWTNFPKT-SECBINFHSA-N 1 1 196.298 1.091 10 0 ADAEMO C[NH2+]CCNCC1(C(C)C)CC1 234381359 571918228 /nfs/dbraw/zinc/91/82/28/571918228.db2.gz IMWSHLNGBWIRAC-UHFFFAOYSA-N 1 1 170.300 1.232 10 0 ADAEMO CCCC[N@@H+](C)C[C@@H](C)C(N)=S 36677664 571918429 /nfs/dbraw/zinc/91/84/29/571918429.db2.gz KAGYAOFLQMMYIY-MRVPVSSYSA-N 1 1 188.340 1.641 10 0 ADAEMO C[C@H]([NH3+])CNC[C@H](C)c1nccs1 235487226 571918582 /nfs/dbraw/zinc/91/85/82/571918582.db2.gz FEYMZJBXOYPZLZ-YUMQZZPRSA-N 1 1 199.323 1.183 10 0 ADAEMO C[C@H](N)C[NH2+]C[C@H](C)c1nccs1 235487226 571918589 /nfs/dbraw/zinc/91/85/89/571918589.db2.gz FEYMZJBXOYPZLZ-YUMQZZPRSA-N 1 1 199.323 1.183 10 0 ADAEMO COC(=O)[C@@H]1CC[N@H+](C2CCC2)C1 260461549 571919282 /nfs/dbraw/zinc/91/92/82/571919282.db2.gz FMBPUZNMFBZDPU-MRVPVSSYSA-N 1 1 183.251 1.034 10 0 ADAEMO C[C@H](N)C[NH2+]CC1(C2CC2)CC1 235487006 571918721 /nfs/dbraw/zinc/91/87/21/571918721.db2.gz ZZJAARLIXNSHMJ-QMMMGPOBSA-N 1 1 168.284 1.113 10 0 ADAEMO C[C@@H]1CCC[C@@H]2CCCNC[N@H+]12 39277259 571918902 /nfs/dbraw/zinc/91/89/02/571918902.db2.gz APQGXOQMSWAUOG-NXEZZACHSA-N 1 1 168.284 1.570 10 0 ADAEMO C[C@@H]1CCC[C@@H]2CCCNC[N@@H+]12 39277259 571918903 /nfs/dbraw/zinc/91/89/03/571918903.db2.gz APQGXOQMSWAUOG-NXEZZACHSA-N 1 1 168.284 1.570 10 0 ADAEMO Cc1[nH+]c(N)[nH]c1-c1ccc(N)cc1 139460710 571918926 /nfs/dbraw/zinc/91/89/26/571918926.db2.gz MQSGYBFFOWULEX-UHFFFAOYSA-N 1 1 188.234 1.550 10 0 ADAEMO C[N@H+]1C[C@@H]2C[C@]2(c2cccc(O)c2)C1 39274023 571919239 /nfs/dbraw/zinc/91/92/39/571919239.db2.gz ADXBUPQMQGZEQF-CMPLNLGQSA-N 1 1 189.258 1.595 10 0 ADAEMO C[C@H]1CCC[C@H]2CCCNC[N@H+]12 39277257 571919699 /nfs/dbraw/zinc/91/96/99/571919699.db2.gz APQGXOQMSWAUOG-UWVGGRQHSA-N 1 1 168.284 1.570 10 0 ADAEMO C[C@H]1CCC[C@H]2CCCNC[N@@H+]12 39277257 571919706 /nfs/dbraw/zinc/91/97/06/571919706.db2.gz APQGXOQMSWAUOG-UWVGGRQHSA-N 1 1 168.284 1.570 10 0 ADAEMO C[C@H](N)C[NH2+]CC1(C)CCCCC1 235486959 571919730 /nfs/dbraw/zinc/91/97/30/571919730.db2.gz DQPSGLBENHQMAJ-JTQLQIEISA-N 1 1 184.327 1.894 10 0 ADAEMO C[C@@H]1CCC[C@H]2CCCNC[N@@H+]21 39277255 571919968 /nfs/dbraw/zinc/91/99/68/571919968.db2.gz APQGXOQMSWAUOG-ZJUUUORDSA-N 1 1 168.284 1.570 10 0 ADAEMO C[C@@H]1CCC[C@H]2CCCNC[N@H+]21 39277255 571919970 /nfs/dbraw/zinc/91/99/70/571919970.db2.gz APQGXOQMSWAUOG-ZJUUUORDSA-N 1 1 168.284 1.570 10 0 ADAEMO Cc1ccc(O)c(N(C)C)[nH+]1 139417810 571920816 /nfs/dbraw/zinc/92/08/16/571920816.db2.gz WYUXTXCSTRFFQF-UHFFFAOYSA-N 1 1 152.197 1.162 10 0 ADAEMO COC[C@@H]1CCC[N@H+]([C@@H](C)C(C)=O)C1 234739249 571920208 /nfs/dbraw/zinc/92/02/08/571920208.db2.gz OIYAIDLPJIFZKG-GXSJLCMTSA-N 1 1 199.294 1.322 10 0 ADAEMO COC[C@H]1CCC[N@H+]([C@@H](C)C(C)=O)C1 234739269 571920823 /nfs/dbraw/zinc/92/08/23/571920823.db2.gz OIYAIDLPJIFZKG-ONGXEEELSA-N 1 1 199.294 1.322 10 0 ADAEMO C[C@H]([NH3+])CNC[C@@H](C)c1nccs1 235487141 571920316 /nfs/dbraw/zinc/92/03/16/571920316.db2.gz FEYMZJBXOYPZLZ-SFYZADRCSA-N 1 1 199.323 1.183 10 0 ADAEMO C[C@H](N)C[NH2+]C[C@@H](C)c1nccs1 235487141 571920318 /nfs/dbraw/zinc/92/03/18/571920318.db2.gz FEYMZJBXOYPZLZ-SFYZADRCSA-N 1 1 199.323 1.183 10 0 ADAEMO C[P@@H+]1CC=C(CCO)CC1 139417017 571920503 /nfs/dbraw/zinc/92/05/03/571920503.db2.gz ZAHSXUNEIZRDOR-UHFFFAOYSA-N 1 1 158.181 1.811 10 0 ADAEMO C[C@H]1CCC[C@@H]2CCCNC[N@H+]12 39277261 571920685 /nfs/dbraw/zinc/92/06/85/571920685.db2.gz APQGXOQMSWAUOG-VHSXEESVSA-N 1 1 168.284 1.570 10 0 ADAEMO C[C@H]1CCC[C@@H]2CCCNC[N@@H+]12 39277261 571920689 /nfs/dbraw/zinc/92/06/89/571920689.db2.gz APQGXOQMSWAUOG-VHSXEESVSA-N 1 1 168.284 1.570 10 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170.300 1.502 10 0 ADAEMO CC[C@H](F)C[N@@H+](C)C[C@H](C)OC 393338523 571959553 /nfs/dbraw/zinc/95/95/53/571959553.db2.gz OXNVQPXIBSIMAM-IUCAKERBSA-N 1 1 177.263 1.701 10 0 ADAEMO C[C@]([NH3+])(Cc1cnccc1N)C1CC1 687688674 571959585 /nfs/dbraw/zinc/95/95/85/571959585.db2.gz LTHGKEAMBLKMCA-NSHDSACASA-N 1 1 191.278 1.164 10 0 ADAEMO CC[C@H](F)C[N@@H+](C)C[C@@H](C)OC 393338521 571959647 /nfs/dbraw/zinc/95/96/47/571959647.db2.gz OXNVQPXIBSIMAM-BDAKNGLRSA-N 1 1 177.263 1.701 10 0 ADAEMO CC[C@](C)(N)[C@@H]1C[C@H](C)CC[NH2+]1 687688742 571959718 /nfs/dbraw/zinc/95/97/18/571959718.db2.gz TZYHGQRTSWYKFQ-UTLUCORTSA-N 1 1 170.300 1.502 10 0 ADAEMO C[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 40718454 571960531 /nfs/dbraw/zinc/96/05/31/571960531.db2.gz QCHLZMWOGSMMOK-RYUDHWBXSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 40718453 571959842 /nfs/dbraw/zinc/95/98/42/571959842.db2.gz QCHLZMWOGSMMOK-NEPJUHHUSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]([NH3+])C(=O)c1cc2ccoc2cn1 214594086 571960057 /nfs/dbraw/zinc/96/00/57/571960057.db2.gz YRFBEJZIDYZOTN-ZCFIWIBFSA-N 1 1 190.202 1.358 10 0 ADAEMO CCC([NH3+])(CC)Cc1cnccc1N 687688635 571960092 /nfs/dbraw/zinc/96/00/92/571960092.db2.gz GTJMVQDLJBYGEC-UHFFFAOYSA-N 1 1 193.294 1.554 10 0 ADAEMO C[N@@H+](CC(N)=S)CC1(C)CCC1 393338515 571960135 /nfs/dbraw/zinc/96/01/35/571960135.db2.gz OVSZBLZYCXYPQN-UHFFFAOYSA-N 1 1 186.324 1.395 10 0 ADAEMO CC(C)CCNc1nc[nH+]c(N)c1N 40724053 571960142 /nfs/dbraw/zinc/96/01/42/571960142.db2.gz LCLQFNBAWRXTKQ-UHFFFAOYSA-N 1 1 195.270 1.099 10 0 ADAEMO CC(C)CCNc1[nH+]cnc(N)c1N 40724053 571960144 /nfs/dbraw/zinc/96/01/44/571960144.db2.gz LCLQFNBAWRXTKQ-UHFFFAOYSA-N 1 1 195.270 1.099 10 0 ADAEMO CC(C)[C@@](C)(N)[C@@H]1CCCCC[NH2+]1 687688576 571960145 /nfs/dbraw/zinc/96/01/45/571960145.db2.gz YHWWAJWVQPKWLU-WDEREUQCSA-N 1 1 184.327 1.892 10 0 ADAEMO C[C@@H]([NH3+])C(=O)c1coc2ncccc12 214594608 571960157 /nfs/dbraw/zinc/96/01/57/571960157.db2.gz CJOWJOAMPAMYQE-ZCFIWIBFSA-N 1 1 190.202 1.358 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CJOWJOAMPAMYQE-LURJTMIESA-N 1 1 190.202 1.358 10 0 ADAEMO CC[C@@H](F)C[N@@H+](C)C[C@H](C)OC 393338522 571960777 /nfs/dbraw/zinc/96/07/77/571960777.db2.gz OXNVQPXIBSIMAM-DTWKUNHWSA-N 1 1 177.263 1.701 10 0 ADAEMO C[C@H]([NH3+])C(=O)c1cc2ncccc2o1 214594808 571960825 /nfs/dbraw/zinc/96/08/25/571960825.db2.gz OCFNNHWGQNSZPU-LURJTMIESA-N 1 1 190.202 1.358 10 0 ADAEMO C[C@@]([NH3+])(Cc1cnccc1N)C1CC1 687688673 571960868 /nfs/dbraw/zinc/96/08/68/571960868.db2.gz LTHGKEAMBLKMCA-LLVKDONJSA-N 1 1 191.278 1.164 10 0 ADAEMO C[C@H]([NH3+])C(=O)c1cc2cnccc2o1 214594678 571960888 /nfs/dbraw/zinc/96/08/88/571960888.db2.gz NWYLPXHRVFFNMK-LURJTMIESA-N 1 1 190.202 1.358 10 0 ADAEMO C[C@@H]([NH3+])C(=O)c1coc2ccncc12 214594344 571960949 /nfs/dbraw/zinc/96/09/49/571960949.db2.gz QCJMHDRSRYTNPN-ZCFIWIBFSA-N 1 1 190.202 1.358 10 0 ADAEMO C[C@H]([NH3+])C(=O)c1coc2ccncc12 214594296 571960984 /nfs/dbraw/zinc/96/09/84/571960984.db2.gz QCJMHDRSRYTNPN-LURJTMIESA-N 1 1 190.202 1.358 10 0 ADAEMO 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1.430 10 0 ADAEMO CC(C)CC[N@H+](C1CC1)[C@H](C)CN 109273080 571970650 /nfs/dbraw/zinc/97/06/50/571970650.db2.gz LYIQQJCLXBTWPY-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)CCN(C1CC1)[C@H](C)C[NH3+] 109273080 571970652 /nfs/dbraw/zinc/97/06/52/571970652.db2.gz LYIQQJCLXBTWPY-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CO[C@@H]1CC[N@@H+](CCCC(C)=O)C1 234825061 571970657 /nfs/dbraw/zinc/97/06/57/571970657.db2.gz WQLBIUVCYOPVDC-SNVBAGLBSA-N 1 1 185.267 1.076 10 0 ADAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)[C@@H](C)N)C1 41053848 571971107 /nfs/dbraw/zinc/97/11/07/571971107.db2.gz VHYBNWAXIJEGTN-OUAUKWLOSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[NH2+]C[C@@H]1CCCCCN1 81038153 571970945 /nfs/dbraw/zinc/97/09/45/571970945.db2.gz RPHOASSKXUWTNI-NSHDSACASA-N 1 1 184.327 1.764 10 0 ADAEMO CC(C)C(=O)C[N@H+](C)[C@@H]1CCCOC1 401640725 571970963 /nfs/dbraw/zinc/97/09/63/571970963.db2.gz ZUCZSSBICYJTMS-SNVBAGLBSA-N 1 1 199.294 1.322 10 0 ADAEMO CC(C)C(=O)C[N@@H+](C)[C@@H]1CCCOC1 401640725 571970966 /nfs/dbraw/zinc/97/09/66/571970966.db2.gz ZUCZSSBICYJTMS-SNVBAGLBSA-N 1 1 199.294 1.322 10 0 ADAEMO CC(C)C[N@@H+](C)[C@@H](C)[C@@H](C)N 41053804 571971012 /nfs/dbraw/zinc/97/10/12/571971012.db2.gz SRAGMWUULMLGNR-BDAKNGLRSA-N 1 1 158.289 1.310 10 0 ADAEMO CC(C)CN(C)[C@@H](C)[C@@H](C)[NH3+] 41053804 571971015 /nfs/dbraw/zinc/97/10/15/571971015.db2.gz SRAGMWUULMLGNR-BDAKNGLRSA-N 1 1 158.289 1.310 10 0 ADAEMO CC[C@@H]1CCCN([C@@H](C)[C@@H](C)[NH3+])C1 41053848 571971110 /nfs/dbraw/zinc/97/11/10/571971110.db2.gz VHYBNWAXIJEGTN-OUAUKWLOSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[NH2+]C[C@H]1CCCCCN1 81038154 571971583 /nfs/dbraw/zinc/97/15/83/571971583.db2.gz RPHOASSKXUWTNI-LLVKDONJSA-N 1 1 184.327 1.764 10 0 ADAEMO CO[C@@H]1CC[N@@H+](CC(C)(C)C(C)=O)C1 234822744 571971295 /nfs/dbraw/zinc/97/12/95/571971295.db2.gz GYHBSPHSAQHECR-SNVBAGLBSA-N 1 1 199.294 1.322 10 0 ADAEMO C1CCN[C@@H](C[NH2+]CC2CC2)CC1 81038175 571971343 /nfs/dbraw/zinc/97/13/43/571971343.db2.gz FDSBRXBBNXPEPC-LLVKDONJSA-N 1 1 182.311 1.518 10 0 ADAEMO C1CC[NH2+][C@@H](CNCC2CC2)CC1 81038175 571971349 /nfs/dbraw/zinc/97/13/49/571971349.db2.gz FDSBRXBBNXPEPC-LLVKDONJSA-N 1 1 182.311 1.518 10 0 ADAEMO C[C@H](N)[C@H](C)[N@@H+](C)CC1CC1 41053894 571971359 /nfs/dbraw/zinc/97/13/59/571971359.db2.gz CLGKWKVREYSDNO-YUMQZZPRSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)N(C)CC1CC1 41053894 571971364 /nfs/dbraw/zinc/97/13/64/571971364.db2.gz CLGKWKVREYSDNO-YUMQZZPRSA-N 1 1 156.273 1.064 10 0 ADAEMO COC(=O)C[NH2+]C[C@@H](C)C(C)C 81055344 571971496 /nfs/dbraw/zinc/97/14/96/571971496.db2.gz QKQCUTFBEACJLY-MRVPVSSYSA-N 1 1 173.256 1.041 10 0 ADAEMO C[NH+](C)P1OCC(C)(C)CO1 32217850 571971724 /nfs/dbraw/zinc/97/17/24/571971724.db2.gz TZXGTTCMQKPZKT-UHFFFAOYSA-N 1 1 177.184 1.848 10 0 ADAEMO CC(C)c1n[nH]c([C@H]2CCC[NH2+]C2)n1 41058537 571971836 /nfs/dbraw/zinc/97/18/36/571971836.db2.gz NYDMVYDOUSWVEW-QMMMGPOBSA-N 1 1 194.282 1.395 10 0 ADAEMO CC(C)c1nc([C@H]2CCC[NH2+]C2)n[nH]1 41058537 571971839 /nfs/dbraw/zinc/97/18/39/571971839.db2.gz NYDMVYDOUSWVEW-QMMMGPOBSA-N 1 1 194.282 1.395 10 0 ADAEMO COC(=O)[C@H](C)[NH2+]C[C@@H](C)C(C)C 81055054 571972061 /nfs/dbraw/zinc/97/20/61/571972061.db2.gz UCUISHQMOWNSLE-BDAKNGLRSA-N 1 1 187.283 1.430 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@@H+](C)CC1CC1 41053892 571972158 /nfs/dbraw/zinc/97/21/58/571972158.db2.gz CLGKWKVREYSDNO-JGVFFNPUSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C)N(C)CC1CC1 41053892 571972160 /nfs/dbraw/zinc/97/21/60/571972160.db2.gz CLGKWKVREYSDNO-JGVFFNPUSA-N 1 1 156.273 1.064 10 0 ADAEMO COC(=O)C[NH2+]C[C@H](C)C(C)C 81055337 571972285 /nfs/dbraw/zinc/97/22/85/571972285.db2.gz QKQCUTFBEACJLY-QMMMGPOBSA-N 1 1 173.256 1.041 10 0 ADAEMO CC[N@H+](CCN)[C@H](C)Cc1ccco1 300828750 571972302 /nfs/dbraw/zinc/97/23/02/571972302.db2.gz OEBBULFADRMRRU-SNVBAGLBSA-N 1 1 196.294 1.491 10 0 ADAEMO CC[N@@H+](CCN)[C@H](C)Cc1ccco1 300828750 571972305 /nfs/dbraw/zinc/97/23/05/571972305.db2.gz OEBBULFADRMRRU-SNVBAGLBSA-N 1 1 196.294 1.491 10 0 ADAEMO CCCCOC(=O)[C@H]1CCCCC[NH2+]1 80989655 571972321 /nfs/dbraw/zinc/97/23/21/571972321.db2.gz PTEIIBDGXRZQKL-SNVBAGLBSA-N 1 1 199.294 1.862 10 0 ADAEMO C[N@H+]1CC[C@](O)(C2=CCCCCC2)C1 234333087 571972342 /nfs/dbraw/zinc/97/23/42/571972342.db2.gz UDNNSQBPKXNFSG-GFCCVEGCSA-N 1 1 195.306 1.944 10 0 ADAEMO CCCc1nc(C)n2c1CC[C@H]([NH3+])C2 219400873 571972448 /nfs/dbraw/zinc/97/24/48/571972448.db2.gz CTTUAQHALATVDF-VIFPVBQESA-N 1 1 193.294 1.418 10 0 ADAEMO CC(C)COC(=O)[C@H]1CCCCC[NH2+]1 80989777 571972561 /nfs/dbraw/zinc/97/25/61/571972561.db2.gz BBAKPVAAUFOMTB-SNVBAGLBSA-N 1 1 199.294 1.718 10 0 ADAEMO CCCC[NH2+]C[C@@H]1CCCCCN1 81038184 571972820 /nfs/dbraw/zinc/97/28/20/571972820.db2.gz PYONLYACYZYFPY-NSHDSACASA-N 1 1 184.327 1.908 10 0 ADAEMO CCCCNC[C@@H]1CCCCC[NH2+]1 81038184 571972822 /nfs/dbraw/zinc/97/28/22/571972822.db2.gz PYONLYACYZYFPY-NSHDSACASA-N 1 1 184.327 1.908 10 0 ADAEMO CC(C)COC(=O)[C@@H]1CCCCC[NH2+]1 80989776 571972885 /nfs/dbraw/zinc/97/28/85/571972885.db2.gz BBAKPVAAUFOMTB-JTQLQIEISA-N 1 1 199.294 1.718 10 0 ADAEMO CCCC[NH2+]C[C@H]1CCCCCN1 81038188 571972938 /nfs/dbraw/zinc/97/29/38/571972938.db2.gz PYONLYACYZYFPY-LLVKDONJSA-N 1 1 184.327 1.908 10 0 ADAEMO CCCCNC[C@H]1CCCCC[NH2+]1 81038188 571972941 /nfs/dbraw/zinc/97/29/41/571972941.db2.gz PYONLYACYZYFPY-LLVKDONJSA-N 1 1 184.327 1.908 10 0 ADAEMO CC(C)[C@](C)(CN)[N@H+]1CCC[C@H]1C 41053682 571972952 /nfs/dbraw/zinc/97/29/52/571972952.db2.gz KUWYIZNHTVITOY-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]([C@@H](C)N)[N@@H+](C)CC1CC1 41053895 571972971 /nfs/dbraw/zinc/97/29/71/571972971.db2.gz CLGKWKVREYSDNO-SFYZADRCSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H]([C@@H](C)[NH3+])N(C)CC1CC1 41053895 571972974 /nfs/dbraw/zinc/97/29/74/571972974.db2.gz CLGKWKVREYSDNO-SFYZADRCSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H](C[NH3+])NC[C@H]1CCC2(CCC2)O1 711437310 571973283 /nfs/dbraw/zinc/97/32/83/571973283.db2.gz KIZALLKBNVNDDR-VHSXEESVSA-N 1 1 198.310 1.025 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]CC(C)(C)N 81068857 571973471 /nfs/dbraw/zinc/97/34/71/571973471.db2.gz ISVRXVARHMJWAL-VIFPVBQESA-N 1 1 172.316 1.605 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]CCNCC1CC1 81068832 571973608 /nfs/dbraw/zinc/97/36/08/571973608.db2.gz AWNWBKYJLMHETM-LLVKDONJSA-N 1 1 198.354 1.868 10 0 ADAEMO CC(C)[C@H](C)CNCC[NH2+]CC1CC1 81068832 571973611 /nfs/dbraw/zinc/97/36/11/571973611.db2.gz AWNWBKYJLMHETM-LLVKDONJSA-N 1 1 198.354 1.868 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]C[C@](C)(N)C1CC1 81079557 571973641 /nfs/dbraw/zinc/97/36/41/571973641.db2.gz ICVGJDRYFPVOPZ-JQWIXIFHSA-N 1 1 198.354 1.996 10 0 ADAEMO CC[C@@H](N)C[NH2+]C[C@@H](C)C(C)C 81068995 571973714 /nfs/dbraw/zinc/97/37/14/571973714.db2.gz KVJCTZTWQQISBX-NXEZZACHSA-N 1 1 172.316 1.605 10 0 ADAEMO CC(C)[C@H](N)C[NH2+]C[C@H](C)C(C)C 81079638 571973923 /nfs/dbraw/zinc/97/39/23/571973923.db2.gz YPAGVNRBEZKFHN-WDEREUQCSA-N 1 1 186.343 1.851 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]Cc1c[nH]cn1 81076637 571973942 /nfs/dbraw/zinc/97/39/42/571973942.db2.gz DQUIAHJWKXZAIK-SECBINFHSA-N 1 1 181.283 1.791 10 0 ADAEMO CCC[C@@H](N)C[NH2+]C[C@@H](C)C(C)C 81079518 571973956 /nfs/dbraw/zinc/97/39/56/571973956.db2.gz ZELLEVANSFYHKZ-GHMZBOCLSA-N 1 1 186.343 1.996 10 0 ADAEMO C[NH2+][C@H](CC[C@H]1CCCO1)C(F)F 234477427 571974604 /nfs/dbraw/zinc/97/46/04/571974604.db2.gz RCRWCTCIFIUYNH-HTQZYQBOSA-N 1 1 193.237 1.799 10 0 ADAEMO CCC[C@H](N)C[NH2+]C[C@H](C)C(C)C 81079520 571974113 /nfs/dbraw/zinc/97/41/13/571974113.db2.gz ZELLEVANSFYHKZ-QWRGUYRKSA-N 1 1 186.343 1.996 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]CC(C)(C)N 81068860 571974116 /nfs/dbraw/zinc/97/41/16/571974116.db2.gz ISVRXVARHMJWAL-SECBINFHSA-N 1 1 172.316 1.605 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]C[C@@](C)(N)C1CC1 81079561 571974705 /nfs/dbraw/zinc/97/47/05/571974705.db2.gz ICVGJDRYFPVOPZ-CMPLNLGQSA-N 1 1 198.354 1.996 10 0 ADAEMO COC[C@H]1CC[N@@H+](CCCC(C)=O)C1 81072141 571974323 /nfs/dbraw/zinc/97/43/23/571974323.db2.gz LSFVKWSSRTVGTC-NSHDSACASA-N 1 1 199.294 1.324 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]CCNCC1CC1 81068828 571974380 /nfs/dbraw/zinc/97/43/80/571974380.db2.gz AWNWBKYJLMHETM-NSHDSACASA-N 1 1 198.354 1.868 10 0 ADAEMO CC(C)[C@@H](C)CNCC[NH2+]CC1CC1 81068828 571974382 /nfs/dbraw/zinc/97/43/82/571974382.db2.gz AWNWBKYJLMHETM-NSHDSACASA-N 1 1 198.354 1.868 10 0 ADAEMO C[NH2+][C@H]1CC[N@H+](C[C@@H](C)C(C)C)C1 81065356 571974504 /nfs/dbraw/zinc/97/45/04/571974504.db2.gz JURXKUYBZMIDGX-MNOVXSKESA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]C[C@@H](N)C(C)C 81079643 571974621 /nfs/dbraw/zinc/97/46/21/571974621.db2.gz YPAGVNRBEZKFHN-GHMZBOCLSA-N 1 1 186.343 1.851 10 0 ADAEMO CCCNCC[NH2+]C[C@@H](C)C(C)C 81068528 571974662 /nfs/dbraw/zinc/97/46/62/571974662.db2.gz OSQPSJBAWALNQM-LLVKDONJSA-N 1 1 186.343 1.868 10 0 ADAEMO CC(C)[C@@H](C)CNC[C@H]1CCC[NH2+]1 81068141 571974682 /nfs/dbraw/zinc/97/46/82/571974682.db2.gz GECIDQFBBYAUJK-WDEREUQCSA-N 1 1 184.327 1.620 10 0 ADAEMO C[C@H]1[C@H]2C[N@@H+](C)C[C@H](C)[C@H]2C[C@H]1O 139724526 571974798 /nfs/dbraw/zinc/97/47/98/571974798.db2.gz MDEHQFAHARLWSP-FBDQPXRJSA-N 1 1 183.295 1.201 10 0 ADAEMO C[NH2+][C@H]1CC[N@H+](C[C@H](C)C(C)C)C1 81065353 571974832 /nfs/dbraw/zinc/97/48/32/571974832.db2.gz JURXKUYBZMIDGX-QWRGUYRKSA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]C[C@H](C)N 81068785 571974865 /nfs/dbraw/zinc/97/48/65/571974865.db2.gz UATNJXSMIMSDLG-IUCAKERBSA-N 1 1 158.289 1.215 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]C[C@@](C)(N)C1CC1 81079564 571974903 /nfs/dbraw/zinc/97/49/03/571974903.db2.gz ICVGJDRYFPVOPZ-ZYHUDNBSSA-N 1 1 198.354 1.996 10 0 ADAEMO CCCC(=O)C[N@H+]1CC[C@@H](COC)C1 81071996 571974958 /nfs/dbraw/zinc/97/49/58/571974958.db2.gz RVHVRIOLMOFCMT-SNVBAGLBSA-N 1 1 199.294 1.324 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]C[C@@H](C)N 81068779 571974969 /nfs/dbraw/zinc/97/49/69/571974969.db2.gz UATNJXSMIMSDLG-DTWKUNHWSA-N 1 1 158.289 1.215 10 0 ADAEMO CC[C@H](N)C[NH2+]C[C@@H](C)C(C)C 81079646 571975004 /nfs/dbraw/zinc/97/50/04/571975004.db2.gz KVJCTZTWQQISBX-ZJUUUORDSA-N 1 1 172.316 1.605 10 0 ADAEMO CCC[C@H](N)C[NH2+]C[C@@H](C)C(C)C 81079515 571975017 /nfs/dbraw/zinc/97/50/17/571975017.db2.gz ZELLEVANSFYHKZ-MNOVXSKESA-N 1 1 186.343 1.996 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]C[C@H](C)N 81068787 571975144 /nfs/dbraw/zinc/97/51/44/571975144.db2.gz UATNJXSMIMSDLG-BDAKNGLRSA-N 1 1 158.289 1.215 10 0 ADAEMO C[N@H+]1[C@@H](c2cccnc2)CC[C@]1(C)O 139816066 571975209 /nfs/dbraw/zinc/97/52/09/571975209.db2.gz UMNVSTNQKDEIOJ-MNOVXSKESA-N 1 1 192.262 1.557 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]C[C@@H](C)N 81068781 571975218 /nfs/dbraw/zinc/97/52/18/571975218.db2.gz UATNJXSMIMSDLG-RKDXNWHRSA-N 1 1 158.289 1.215 10 0 ADAEMO COC[C@@H]1CC[N@@H+](CCCC(C)=O)C1 81072146 571975935 /nfs/dbraw/zinc/97/59/35/571975935.db2.gz LSFVKWSSRTVGTC-LLVKDONJSA-N 1 1 199.294 1.324 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]C[C@H](N)C(C)C 81079636 571975281 /nfs/dbraw/zinc/97/52/81/571975281.db2.gz YPAGVNRBEZKFHN-MNOVXSKESA-N 1 1 186.343 1.851 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]C[C@](C)(N)C1CC1 81079559 571975636 /nfs/dbraw/zinc/97/56/36/571975636.db2.gz ICVGJDRYFPVOPZ-PWSUYJOCSA-N 1 1 198.354 1.996 10 0 ADAEMO CC[C@H](N)C[NH2+]C[C@H](C)C(C)C 81068999 571975455 /nfs/dbraw/zinc/97/54/55/571975455.db2.gz KVJCTZTWQQISBX-UWVGGRQHSA-N 1 1 172.316 1.605 10 0 ADAEMO CO[C@@H]1CC[N@H+]([C@@H](C)CC(C)=O)C1 234837877 571975697 /nfs/dbraw/zinc/97/56/97/571975697.db2.gz INWQPUICBVYJBK-WCBMZHEXSA-N 1 1 185.267 1.075 10 0 ADAEMO C/C=C\C[N@H+]1CCCC[C@@H](CO)C1 388898036 571975722 /nfs/dbraw/zinc/97/57/22/571975722.db2.gz MTUBVNSTDZOMRM-OTDNITJGSA-N 1 1 183.295 1.657 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]Cc1c[nH]cn1 81076634 571975803 /nfs/dbraw/zinc/97/58/03/571975803.db2.gz DQUIAHJWKXZAIK-VIFPVBQESA-N 1 1 181.283 1.791 10 0 ADAEMO C[C@H]1C[C@@H](CO)C[N@@H+](CC(C)(C)C)C1 713169366 571975904 /nfs/dbraw/zinc/97/59/04/571975904.db2.gz ZGGRWPRMLVUOHY-WDEREUQCSA-N 1 1 199.338 1.983 10 0 ADAEMO CCOC(=O)C[NH2+]C[C@@H](C)C(C)C 81078423 571975914 /nfs/dbraw/zinc/97/59/14/571975914.db2.gz MNVKQPTXLODLEA-SECBINFHSA-N 1 1 187.283 1.431 10 0 ADAEMO Cc1cccc(N(C)CCCO)[nH+]1 300828202 571975927 /nfs/dbraw/zinc/97/59/27/571975927.db2.gz OAWYYBHSSSVJFF-UHFFFAOYSA-N 1 1 180.251 1.209 10 0 ADAEMO CNC(C)(C)C[NH2+]C[C@H](C)C(C)C 81068879 571975928 /nfs/dbraw/zinc/97/59/28/571975928.db2.gz JEOPYKCLKRBFIS-JTQLQIEISA-N 1 1 186.343 1.866 10 0 ADAEMO C/C=C\C[N@H+]1CCCC[C@H](CO)C1 388898037 571975988 /nfs/dbraw/zinc/97/59/88/571975988.db2.gz MTUBVNSTDZOMRM-QUCGXOGASA-N 1 1 183.295 1.657 10 0 ADAEMO CC(C)[C@@H](C)CNC[C@@H]1CCC[NH2+]1 81068135 571976232 /nfs/dbraw/zinc/97/62/32/571976232.db2.gz GECIDQFBBYAUJK-QWRGUYRKSA-N 1 1 184.327 1.620 10 0 ADAEMO CCC[C@@H](N)C[NH2+]C[C@H](C)C(C)C 81079523 571976318 /nfs/dbraw/zinc/97/63/18/571976318.db2.gz ZELLEVANSFYHKZ-WDEREUQCSA-N 1 1 186.343 1.996 10 0 ADAEMO C[N@H+]1[C@@H](c2cccnc2)CC[C@@]1(C)O 139816188 571976375 /nfs/dbraw/zinc/97/63/75/571976375.db2.gz UMNVSTNQKDEIOJ-GHMZBOCLSA-N 1 1 192.262 1.557 10 0 ADAEMO CCOC(=O)C[NH2+]C[C@H](C)C(C)C 81078427 571976389 /nfs/dbraw/zinc/97/63/89/571976389.db2.gz MNVKQPTXLODLEA-VIFPVBQESA-N 1 1 187.283 1.431 10 0 ADAEMO C[C@H]1C[C@H](CO)C[N@@H+](CC(C)(C)C)C1 713169136 571976392 /nfs/dbraw/zinc/97/63/92/571976392.db2.gz ZGGRWPRMLVUOHY-QWRGUYRKSA-N 1 1 199.338 1.983 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]C[C@H](N)C(C)C 81079631 571976459 /nfs/dbraw/zinc/97/64/59/571976459.db2.gz YPAGVNRBEZKFHN-QWRGUYRKSA-N 1 1 186.343 1.851 10 0 ADAEMO CCCC(=O)C[N@H+]1CC[C@H](COC)C1 81071992 571976527 /nfs/dbraw/zinc/97/65/27/571976527.db2.gz RVHVRIOLMOFCMT-JTQLQIEISA-N 1 1 199.294 1.324 10 0 ADAEMO C[C@@H]([NH2+]C[C@H](N)CC1CC1)C1CC1 398014039 571976533 /nfs/dbraw/zinc/97/65/33/571976533.db2.gz VFKXFBRMVLTOMG-LDYMZIIASA-N 1 1 182.311 1.502 10 0 ADAEMO CCCNCC[NH2+]C[C@H](C)C(C)C 81068532 571976551 /nfs/dbraw/zinc/97/65/51/571976551.db2.gz OSQPSJBAWALNQM-NSHDSACASA-N 1 1 186.343 1.868 10 0 ADAEMO C[N@H+]1[C@H](c2cccnc2)CC[C@@]1(C)O 139816469 571976581 /nfs/dbraw/zinc/97/65/81/571976581.db2.gz UMNVSTNQKDEIOJ-WDEREUQCSA-N 1 1 192.262 1.557 10 0 ADAEMO CN(CCCC1CC1)[C@H]1CCC[C@@H]1[NH3+] 400682652 571976655 /nfs/dbraw/zinc/97/66/55/571976655.db2.gz VQUQNMLQFYKIIR-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO CN(CCCC1CC1)[C@@H]1CCC[C@H]1[NH3+] 400682653 571976722 /nfs/dbraw/zinc/97/67/22/571976722.db2.gz VQUQNMLQFYKIIR-VXGBXAGGSA-N 1 1 196.338 1.988 10 0 ADAEMO CN(C)CCC[NH+]1CCCC1 41167303 571976922 /nfs/dbraw/zinc/97/69/22/571976922.db2.gz QCFORFVJZWGNAK-UHFFFAOYSA-N 1 1 156.273 1.034 10 0 ADAEMO CC(C)(N)[C@@H]1[NH2+]CCc2ccccc21 687694572 571977120 /nfs/dbraw/zinc/97/71/20/571977120.db2.gz NGTMZFLJKSHOLV-LLVKDONJSA-N 1 1 190.290 1.611 10 0 ADAEMO Cc1c[nH]c(CC(C)C)[nH+]1 139882241 571977373 /nfs/dbraw/zinc/97/73/73/571977373.db2.gz SUZHUMRBNVXLKR-UHFFFAOYSA-N 1 1 138.214 1.917 10 0 ADAEMO CCc1[nH+]c[nH]c1C 13209448 571977388 /nfs/dbraw/zinc/97/73/88/571977388.db2.gz ZLKKTHXFUDTLOJ-UHFFFAOYSA-N 1 1 110.160 1.281 10 0 ADAEMO CCc1[nH]c[nH+]c1C 13209448 571977390 /nfs/dbraw/zinc/97/73/90/571977390.db2.gz ZLKKTHXFUDTLOJ-UHFFFAOYSA-N 1 1 110.160 1.281 10 0 ADAEMO CCCCCNC[C@@H]1CCC[NH2+]1 41168354 571977520 /nfs/dbraw/zinc/97/75/20/571977520.db2.gz ZXTAXHVSEFNVNL-JTQLQIEISA-N 1 1 170.300 1.518 10 0 ADAEMO Cc1ccc([C@@]2(C)[NH2+]CCO2)o1 196428963 571977779 /nfs/dbraw/zinc/97/77/79/571977779.db2.gz YRJKJEZYTKHVJR-VIFPVBQESA-N 1 1 167.208 1.381 10 0 ADAEMO CC(C)(N)[C@H]1[NH2+]CCc2ccccc21 687694573 571977863 /nfs/dbraw/zinc/97/78/63/571977863.db2.gz NGTMZFLJKSHOLV-NSHDSACASA-N 1 1 190.290 1.611 10 0 ADAEMO C/C=C/C[N@H+]1CCNC[C@]1(C)CC 233993137 571978499 /nfs/dbraw/zinc/97/84/99/571978499.db2.gz IERMVJLRYNEGIF-MALLOTDXSA-N 1 1 182.311 1.636 10 0 ADAEMO C/C=C/C[N@@H+]1CCNC[C@]1(C)CC 233993137 571978501 /nfs/dbraw/zinc/97/85/01/571978501.db2.gz IERMVJLRYNEGIF-MALLOTDXSA-N 1 1 182.311 1.636 10 0 ADAEMO Cc1ccc([C@]2(C)[NH2+]CCO2)o1 196428959 571978531 /nfs/dbraw/zinc/97/85/31/571978531.db2.gz YRJKJEZYTKHVJR-SECBINFHSA-N 1 1 167.208 1.381 10 0 ADAEMO C[C@](N)(c1ccccc1F)C1C[NH2+]C1 687695189 571978922 /nfs/dbraw/zinc/97/89/22/571978922.db2.gz QVRKDDLJZDZJDW-LLVKDONJSA-N 1 1 194.253 1.219 10 0 ADAEMO CC(C)[N@H+]1CCCCNCC1 196428995 571978967 /nfs/dbraw/zinc/97/89/67/571978967.db2.gz VBMCOECKHWZXGK-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO CC(C)N1CCCC[NH2+]CC1 196428995 571978970 /nfs/dbraw/zinc/97/89/70/571978970.db2.gz VBMCOECKHWZXGK-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO C[NH2+]Cc1nnc(CCC(C)(C)C)o1 300833481 571979012 /nfs/dbraw/zinc/97/90/12/571979012.db2.gz IPROWQLIHLOGQI-UHFFFAOYSA-N 1 1 197.282 1.768 10 0 ADAEMO CNc1ccccc1CNCCC[NH3+] 234478727 571979144 /nfs/dbraw/zinc/97/91/44/571979144.db2.gz FTSLHHIJRJERQK-UHFFFAOYSA-N 1 1 193.294 1.167 10 0 ADAEMO CN(C)CCC[NH2+]CC1CCCC1 41202798 571980076 /nfs/dbraw/zinc/98/00/76/571980076.db2.gz AENJWDCLBKORCB-UHFFFAOYSA-N 1 1 184.327 1.718 10 0 ADAEMO Cc1cccc([C@H]2CC(=O)CC[NH2+]2)c1 41204512 571980133 /nfs/dbraw/zinc/98/01/33/571980133.db2.gz USYGRRUEZJPXFN-GFCCVEGCSA-N 1 1 189.258 1.989 10 0 ADAEMO C[C@@](N)(c1ccccc1F)C1C[NH2+]C1 687695190 571980312 /nfs/dbraw/zinc/98/03/12/571980312.db2.gz QVRKDDLJZDZJDW-NSHDSACASA-N 1 1 194.253 1.219 10 0 ADAEMO CC(C)CCSC(=N)NC(N)=[NH2+] 81169515 571980801 /nfs/dbraw/zinc/98/08/01/571980801.db2.gz BUUFINWDGQEUND-UHFFFAOYSA-N 1 1 188.300 1.184 10 0 ADAEMO CSCC[N@@H+](C)C[C@H](O)C(C)C 300841488 571980822 /nfs/dbraw/zinc/98/08/22/571980822.db2.gz FLAFHXZETFESBD-VIFPVBQESA-N 1 1 191.340 1.298 10 0 ADAEMO CSCC[N@@H+](C)C[C@@H](O)C(C)C 300841486 571981611 /nfs/dbraw/zinc/98/16/11/571981611.db2.gz FLAFHXZETFESBD-SECBINFHSA-N 1 1 191.340 1.298 10 0 ADAEMO CCCCC[N@H+]1CCNC(C)(C)C1 41202870 571981744 /nfs/dbraw/zinc/98/17/44/571981744.db2.gz BSDURADJUNUJTD-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCCCN1CC[NH2+]C(C)(C)C1 41202870 571981747 /nfs/dbraw/zinc/98/17/47/571981747.db2.gz BSDURADJUNUJTD-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO C[C@H]1CCCN[C@@H]1C[NH2+]CC1(C)CC1 235549375 571981824 /nfs/dbraw/zinc/98/18/24/571981824.db2.gz IAOSEJQPUSQPMR-WDEREUQCSA-N 1 1 196.338 1.764 10 0 ADAEMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1C 13406817 571983021 /nfs/dbraw/zinc/98/30/21/571983021.db2.gz LKCPWTQHJNVLDI-DTWKUNHWSA-N 1 1 157.257 1.242 10 0 ADAEMO C[C@H]1CCCN[C@@H]1C[NH2+]CC1CC1 235549457 571983420 /nfs/dbraw/zinc/98/34/20/571983420.db2.gz IXLGEILHWCNPBA-GXSJLCMTSA-N 1 1 182.311 1.374 10 0 ADAEMO C[C@H]1CCCN[C@@H]1C[NH2+]CCC1CC1 235549487 571983473 /nfs/dbraw/zinc/98/34/73/571983473.db2.gz FAFYGRXMSUSXFV-CMPLNLGQSA-N 1 1 196.338 1.764 10 0 ADAEMO NC1([C@@H]2C=CC[NH2+]2)CCCCC1 687695398 571983588 /nfs/dbraw/zinc/98/35/88/571983588.db2.gz LQZUEAWCRWUZGP-VIFPVBQESA-N 1 1 166.268 1.176 10 0 ADAEMO C[C@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1CO 713169765 571984010 /nfs/dbraw/zinc/98/40/10/571984010.db2.gz FPMGPUAAVFVKGH-WDEREUQCSA-N 1 1 199.338 1.983 10 0 ADAEMO CCC1CCC(N)([C@H]2C=CC[NH2+]2)CC1 687695457 571984098 /nfs/dbraw/zinc/98/40/98/571984098.db2.gz YNHVOQZSPMOHPT-MOENNCHZSA-N 1 1 194.322 1.812 10 0 ADAEMO Cc1[nH+]ccn1C[C@@H](O)CC(C)(C)C 713173201 571984826 /nfs/dbraw/zinc/98/48/26/571984826.db2.gz XCWKZMGDRDTIIH-JTQLQIEISA-N 1 1 196.294 1.989 10 0 ADAEMO C[C@H]1C[C@H]2CCCC[N@@H+]12 39095847 571984678 /nfs/dbraw/zinc/98/46/78/571984678.db2.gz OKQFVISZKNCXKE-JGVFFNPUSA-N 1 1 125.215 1.633 10 0 ADAEMO C[N@@H+]1CC=C(c2ccccn2)CC1 13470088 571984936 /nfs/dbraw/zinc/98/49/36/571984936.db2.gz IVVNPYFQUBPSOL-UHFFFAOYSA-N 1 1 174.247 1.801 10 0 ADAEMO C[N@H+]1CCC[C@](O)(CCC2CC2)C1 234340580 571985089 /nfs/dbraw/zinc/98/50/89/571985089.db2.gz DSMIPDKDWULDCK-NSHDSACASA-N 1 1 183.295 1.633 10 0 ADAEMO CC(C)c1[nH]cnc1CC[NH3+] 39103230 571985102 /nfs/dbraw/zinc/98/51/02/571985102.db2.gz FRFLVDVEKQMGGB-UHFFFAOYSA-N 1 1 153.229 1.034 10 0 ADAEMO C[C@@H]1C[N@@H+](C)CCN1c1ccccc1 13470047 571985239 /nfs/dbraw/zinc/98/52/39/571985239.db2.gz XCFHVJJUGCCDJK-LLVKDONJSA-N 1 1 190.290 1.827 10 0 ADAEMO Cn1c[nH+]cc1C[C@H](O)CCC1CC1 401763761 571985396 /nfs/dbraw/zinc/98/53/96/571985396.db2.gz XAXOHIUOSRAFJH-LLVKDONJSA-N 1 1 194.278 1.514 10 0 ADAEMO NC1([C@H]2C=CC[NH2+]2)CCCCC1 687695397 571985403 /nfs/dbraw/zinc/98/54/03/571985403.db2.gz LQZUEAWCRWUZGP-SECBINFHSA-N 1 1 166.268 1.176 10 0 ADAEMO Cc1[nH+]ccn1C[C@H](O)CC(C)(C)C 713173204 571986336 /nfs/dbraw/zinc/98/63/36/571986336.db2.gz XCWKZMGDRDTIIH-SNVBAGLBSA-N 1 1 196.294 1.989 10 0 ADAEMO C[N@@H+]1CC=C(c2cccnc2)CC1 13470090 571985809 /nfs/dbraw/zinc/98/58/09/571985809.db2.gz AHHWWZNACRZOOE-UHFFFAOYSA-N 1 1 174.247 1.801 10 0 ADAEMO C/C=C\C[N@H+]1[C@@H](C)COC[C@H]1C 388403726 571985895 /nfs/dbraw/zinc/98/58/95/571985895.db2.gz QNWXCISYQCUPHJ-QOYVELHUSA-N 1 1 169.268 1.672 10 0 ADAEMO CCCC[C@@H](C)c1nnc(C[NH3+])o1 300856183 571986073 /nfs/dbraw/zinc/98/60/73/571986073.db2.gz BVRNDRBYBHBOEH-SSDOTTSWSA-N 1 1 183.255 1.822 10 0 ADAEMO C1CC[C@H]2[NH2+]C[C@H](C3CC3)N[C@H]2C1 687769160 571986415 /nfs/dbraw/zinc/98/64/15/571986415.db2.gz AILUAANLUZVOFC-OUAUKWLOSA-N 1 1 180.295 1.269 10 0 ADAEMO CN(C)Cc1cccc(C[NH+](C)C)n1 114017282 571986088 /nfs/dbraw/zinc/98/60/88/571986088.db2.gz MGYGVVVDLZIDTB-UHFFFAOYSA-N 1 1 193.294 1.205 10 0 ADAEMO C1CC[C@@H]2[NH2+]C[C@H](C3CC3)N[C@H]2C1 687769159 571986100 /nfs/dbraw/zinc/98/61/00/571986100.db2.gz AILUAANLUZVOFC-GARJFASQSA-N 1 1 180.295 1.269 10 0 ADAEMO C[C@H]1C[C@@H]2CCCC[N@@H+]12 39095851 571986107 /nfs/dbraw/zinc/98/61/07/571986107.db2.gz OKQFVISZKNCXKE-YUMQZZPRSA-N 1 1 125.215 1.633 10 0 ADAEMO CCCC[N@H+]1CCN[C@](C)(CC)C1 68693048 571986177 /nfs/dbraw/zinc/98/61/77/571986177.db2.gz OZPAHGUDTHMKTP-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCCN1CC[NH2+][C@](C)(CC)C1 68693048 571986180 /nfs/dbraw/zinc/98/61/80/571986180.db2.gz OZPAHGUDTHMKTP-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CCN(C)[C@H](C[NH3+])[C@H]1CCSC1 300211139 571986296 /nfs/dbraw/zinc/98/62/96/571986296.db2.gz OBQXOQPOTOCYFD-DTWKUNHWSA-N 1 1 188.340 1.019 10 0 ADAEMO CC[N@@H+](C)[C@H](CN)[C@H]1CCSC1 300211139 571986292 /nfs/dbraw/zinc/98/62/92/571986292.db2.gz OBQXOQPOTOCYFD-DTWKUNHWSA-N 1 1 188.340 1.019 10 0 ADAEMO C[C@@H]1C[C@@H](C(C)(C)C)[NH2+]CCN1 196165139 571986676 /nfs/dbraw/zinc/98/66/76/571986676.db2.gz PMNUDVUTKPIKPH-BDAKNGLRSA-N 1 1 170.300 1.373 10 0 ADAEMO CC(C)[N@H+]1CC(C)(C)[C@H]1CO 39103481 571986710 /nfs/dbraw/zinc/98/67/10/571986710.db2.gz ACUHFHWLFXUUOQ-MRVPVSSYSA-N 1 1 157.257 1.098 10 0 ADAEMO CC[N@H+]1CCc2cccc(CO)c2C1 214651594 571986745 /nfs/dbraw/zinc/98/67/45/571986745.db2.gz UWELUJVEDQQGSZ-UHFFFAOYSA-N 1 1 191.274 1.557 10 0 ADAEMO C1CC[C@@H]2[NH2+]C[C@@H](C3CC3)N[C@H]2C1 687769158 571987027 /nfs/dbraw/zinc/98/70/27/571987027.db2.gz AILUAANLUZVOFC-DCAQKATOSA-N 1 1 180.295 1.269 10 0 ADAEMO CC[N@@H+](C)[C@@H](CN)[C@H]1CCSC1 300211140 571987130 /nfs/dbraw/zinc/98/71/30/571987130.db2.gz OBQXOQPOTOCYFD-IUCAKERBSA-N 1 1 188.340 1.019 10 0 ADAEMO CCN(C)[C@@H](C[NH3+])[C@H]1CCSC1 300211140 571987133 /nfs/dbraw/zinc/98/71/33/571987133.db2.gz OBQXOQPOTOCYFD-IUCAKERBSA-N 1 1 188.340 1.019 10 0 ADAEMO C[C@H]1C[C@@H](C(C)(C)C)[NH2+]CCN1 196165145 571987201 /nfs/dbraw/zinc/98/72/01/571987201.db2.gz PMNUDVUTKPIKPH-IUCAKERBSA-N 1 1 170.300 1.373 10 0 ADAEMO CNc1nccn1CC[N@H+](C)C1CC1 234492972 571987418 /nfs/dbraw/zinc/98/74/18/571987418.db2.gz CWQOPVNYKGALNG-UHFFFAOYSA-N 1 1 194.282 1.019 10 0 ADAEMO CNc1nccn1CC[N@@H+](C)C1CC1 234492972 571987421 /nfs/dbraw/zinc/98/74/21/571987421.db2.gz CWQOPVNYKGALNG-UHFFFAOYSA-N 1 1 194.282 1.019 10 0 ADAEMO CNc1nccn1CC[NH+]1CCCC1 234493048 571987700 /nfs/dbraw/zinc/98/77/00/571987700.db2.gz RQIBUPGOKXAVID-UHFFFAOYSA-N 1 1 194.282 1.021 10 0 ADAEMO C[C@H]1C[C@H](C(C)(C)C)[NH2+]CCN1 196165135 571987755 /nfs/dbraw/zinc/98/77/55/571987755.db2.gz PMNUDVUTKPIKPH-DTWKUNHWSA-N 1 1 170.300 1.373 10 0 ADAEMO COC(=O)[C@@H]([NH3+])C[C@H](C)CC(C)C 300858074 571988891 /nfs/dbraw/zinc/98/88/91/571988891.db2.gz GCKHGXVDSHPPFL-BDAKNGLRSA-N 1 1 187.283 1.559 10 0 ADAEMO CC(C)C[C@H]1C[N@@H+](CC(C)C)CCN1 68692890 571988045 /nfs/dbraw/zinc/98/80/45/571988045.db2.gz KLYMAALFYQMQPM-LBPRGKRZSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)C[C@H]1CN(CC(C)C)CC[NH2+]1 68692890 571988047 /nfs/dbraw/zinc/98/80/47/571988047.db2.gz KLYMAALFYQMQPM-LBPRGKRZSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)C[C@@H](O)C[N@H+]1CC[C@H]1C 300211318 571988048 /nfs/dbraw/zinc/98/80/48/571988048.db2.gz PHGWHIWQXWJFBL-NXEZZACHSA-N 1 1 171.284 1.488 10 0 ADAEMO C1CC[C@H]2[NH2+]C[C@@H](C3CC3)N[C@H]2C1 687769161 571988064 /nfs/dbraw/zinc/98/80/64/571988064.db2.gz AILUAANLUZVOFC-VWYCJHECSA-N 1 1 180.295 1.269 10 0 ADAEMO CC(C)C[C@@H]1C[N@@H+](CC(C)C)CCN1 68692888 571988109 /nfs/dbraw/zinc/98/81/09/571988109.db2.gz KLYMAALFYQMQPM-GFCCVEGCSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)C[C@@H]1CN(CC(C)C)CC[NH2+]1 68692888 571988112 /nfs/dbraw/zinc/98/81/12/571988112.db2.gz KLYMAALFYQMQPM-GFCCVEGCSA-N 1 1 198.354 1.962 10 0 ADAEMO C[N@@H+](CCCO)CCc1ccsc1 300850616 571988124 /nfs/dbraw/zinc/98/81/24/571988124.db2.gz SQQXTYWVPRWLNK-UHFFFAOYSA-N 1 1 199.319 1.605 10 0 ADAEMO C1C[C@@H]2C[C@H]3OCC[C@@H]3C[N@H+]2C1 687769255 571988905 /nfs/dbraw/zinc/98/89/05/571988905.db2.gz SKTLFYJWUNFOKI-OPRDCNLKSA-N 1 1 167.252 1.260 10 0 ADAEMO CNc1nccn1CC(C)(C)[NH+](C)C 234491452 571988677 /nfs/dbraw/zinc/98/86/77/571988677.db2.gz XJBHSOGKIASJHV-UHFFFAOYSA-N 1 1 196.298 1.265 10 0 ADAEMO COC(=O)[C@@H]([NH3+])C[C@@H](C)CC(C)C 300858076 571988691 /nfs/dbraw/zinc/98/86/91/571988691.db2.gz GCKHGXVDSHPPFL-IUCAKERBSA-N 1 1 187.283 1.559 10 0 ADAEMO C1CC[C@@H]2[NH2+][C@H]([C@@H]3CCN3)CC[C@@H]2C1 687768985 571988838 /nfs/dbraw/zinc/98/88/38/571988838.db2.gz RDCFGZYOXYINBF-BJDJZHNGSA-N 1 1 194.322 1.659 10 0 ADAEMO C1CC[C@@H]2N[C@H]([C@@H]3CC[NH2+]3)CC[C@@H]2C1 687768985 571988842 /nfs/dbraw/zinc/98/88/42/571988842.db2.gz RDCFGZYOXYINBF-BJDJZHNGSA-N 1 1 194.322 1.659 10 0 ADAEMO C[C@@H]1OCC[NH2+][C@H]1C(=O)CC(C)(C)C 713175546 571988878 /nfs/dbraw/zinc/98/88/78/571988878.db2.gz WHJIUKDDQMDMGZ-WCBMZHEXSA-N 1 1 199.294 1.369 10 0 ADAEMO Cn1c[nH+]cc1C[C@H](O)CC(C)(C)C 401800809 571988947 /nfs/dbraw/zinc/98/89/47/571988947.db2.gz MTDNEJBOYPHHIA-JTQLQIEISA-N 1 1 196.294 1.760 10 0 ADAEMO CNc1nccn1CC[N@H+](C)C(C)C 234492955 571988977 /nfs/dbraw/zinc/98/89/77/571988977.db2.gz YIXDDSXDFLWZDT-UHFFFAOYSA-N 1 1 196.298 1.265 10 0 ADAEMO CNc1nccn1CC[N@@H+](C)C(C)C 234492955 571988980 /nfs/dbraw/zinc/98/89/80/571988980.db2.gz YIXDDSXDFLWZDT-UHFFFAOYSA-N 1 1 196.298 1.265 10 0 ADAEMO C[C@@H]1OCC[NH2+][C@@H]1C(=O)CC(C)(C)C 713175555 571989054 /nfs/dbraw/zinc/98/90/54/571989054.db2.gz WHJIUKDDQMDMGZ-WPRPVWTQSA-N 1 1 199.294 1.369 10 0 ADAEMO Cc1cnc(C[NH2+]C/C=C/Cl)cn1 235809475 571989722 /nfs/dbraw/zinc/98/97/22/571989722.db2.gz NFRKNEOJTKNVID-NSCUHMNNSA-N 1 1 197.669 1.627 10 0 ADAEMO Cn1c[nH+]cc1C[C@@H](O)CC(C)(C)C 401800810 571989730 /nfs/dbraw/zinc/98/97/30/571989730.db2.gz MTDNEJBOYPHHIA-SNVBAGLBSA-N 1 1 196.294 1.760 10 0 ADAEMO Cc1cnc([C@@H](N)CCC[NH+](C)C)o1 74239360 571990226 /nfs/dbraw/zinc/99/02/26/571990226.db2.gz LBABOKBXXTZZQP-VIFPVBQESA-N 1 1 197.282 1.325 10 0 ADAEMO C[N@H+]1CC[C@H]1COc1cccnc1 13746643 571990008 /nfs/dbraw/zinc/99/00/08/571990008.db2.gz WPIIPCGOWUPPLZ-VIFPVBQESA-N 1 1 178.235 1.165 10 0 ADAEMO CCCCC[C@H](O)Cc1c[nH+]cn1C 401803925 571990151 /nfs/dbraw/zinc/99/01/51/571990151.db2.gz OZDUPHYUMMRLNC-NSHDSACASA-N 1 1 196.294 1.904 10 0 ADAEMO CCCCC[C@@H](O)Cc1c[nH+]cn1C 401803924 571990233 /nfs/dbraw/zinc/99/02/33/571990233.db2.gz OZDUPHYUMMRLNC-LLVKDONJSA-N 1 1 196.294 1.904 10 0 ADAEMO C1CC[C@@H]2[NH2+][C@H]([C@H]3CCN3)CC[C@@H]2C1 687768988 571990451 /nfs/dbraw/zinc/99/04/51/571990451.db2.gz RDCFGZYOXYINBF-YFKTTZPYSA-N 1 1 194.322 1.659 10 0 ADAEMO C1CC[C@@H]2N[C@H]([C@H]3CC[NH2+]3)CC[C@@H]2C1 687768988 571990455 /nfs/dbraw/zinc/99/04/55/571990455.db2.gz RDCFGZYOXYINBF-YFKTTZPYSA-N 1 1 194.322 1.659 10 0 ADAEMO C[N@@H+](CCN)[C@@H]1CCC[C@H](C2CC2)C1 81645258 571990499 /nfs/dbraw/zinc/99/04/99/571990499.db2.gz RGEUEUBJJZIHAT-NWDGAFQWSA-N 1 1 196.338 1.846 10 0 ADAEMO CN(CC[NH3+])[C@@H]1CCC[C@H](C2CC2)C1 81645258 571990502 /nfs/dbraw/zinc/99/05/02/571990502.db2.gz RGEUEUBJJZIHAT-NWDGAFQWSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(=O)[C@H]1CCCN1CCC(C)(C)[NH3+] 74237025 571990599 /nfs/dbraw/zinc/99/05/99/571990599.db2.gz WCKHOZQSMVMGLW-SNVBAGLBSA-N 1 1 198.310 1.167 10 0 ADAEMO C1CC[C@@H]2CC[C@@H]([C@H]3CCN3)[NH2+][C@H]2C1 687768986 571990604 /nfs/dbraw/zinc/99/06/04/571990604.db2.gz RDCFGZYOXYINBF-KXNHARMFSA-N 1 1 194.322 1.659 10 0 ADAEMO C1CC[C@@H]2CC[C@@H]([C@H]3CC[NH2+]3)N[C@H]2C1 687768986 571990607 /nfs/dbraw/zinc/99/06/07/571990607.db2.gz RDCFGZYOXYINBF-KXNHARMFSA-N 1 1 194.322 1.659 10 0 ADAEMO C[N@H+](c1ccncc1)n1cccc1 13745976 571990615 /nfs/dbraw/zinc/99/06/15/571990615.db2.gz RMMHGSOMPGRWLZ-UHFFFAOYSA-N 1 1 173.219 1.783 10 0 ADAEMO C1C[C@@H]2C[C@@H]3OCC[C@H]3C[N@H+]2C1 687769252 571990700 /nfs/dbraw/zinc/99/07/00/571990700.db2.gz SKTLFYJWUNFOKI-AEJSXWLSSA-N 1 1 167.252 1.260 10 0 ADAEMO C1CC[C@@H]2CC[C@@H]([C@@H]3CCN3)[NH2+][C@H]2C1 687768987 571990774 /nfs/dbraw/zinc/99/07/74/571990774.db2.gz RDCFGZYOXYINBF-RHYQMDGZSA-N 1 1 194.322 1.659 10 0 ADAEMO C1CC[C@@H]2CC[C@@H]([C@@H]3CC[NH2+]3)N[C@H]2C1 687768987 571990779 /nfs/dbraw/zinc/99/07/79/571990779.db2.gz RDCFGZYOXYINBF-RHYQMDGZSA-N 1 1 194.322 1.659 10 0 ADAEMO C1C[C@@H]2C[C@H]3OCC[C@H]3C[N@H+]2C1 687769254 571990809 /nfs/dbraw/zinc/99/08/09/571990809.db2.gz SKTLFYJWUNFOKI-IVZWLZJFSA-N 1 1 167.252 1.260 10 0 ADAEMO CC(C)C[C@@H](O)C[N@H+]1CCC[C@H]1C 300215149 571990815 /nfs/dbraw/zinc/99/08/15/571990815.db2.gz NMWLLPUEJDXECK-GHMZBOCLSA-N 1 1 185.311 1.878 10 0 ADAEMO C[N@H+]1C[C@H](CO)C[C@H]1c1cccnc1 13738862 571990838 /nfs/dbraw/zinc/99/08/38/571990838.db2.gz PDUFHVSTSKCGDQ-KOLCDFICSA-N 1 1 192.262 1.067 10 0 ADAEMO CO[C@@H]1CCCC[C@@]1(C[NH3+])NC1CC1 300214310 571990855 /nfs/dbraw/zinc/99/08/55/571990855.db2.gz PAOXBKYLHIIHFI-MNOVXSKESA-N 1 1 198.310 1.025 10 0 ADAEMO COCC[C@H](C)Nc1[nH+]cccc1N 81705221 571990872 /nfs/dbraw/zinc/99/08/72/571990872.db2.gz WOFYYUOYAKSALN-QMMMGPOBSA-N 1 1 195.266 1.501 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+]2CCC[C@@H]2[C@@H]1N 39104262 571990897 /nfs/dbraw/zinc/99/08/97/571990897.db2.gz NCTGJQCEKGJWIA-IVZWLZJFSA-N 1 1 168.284 1.064 10 0 ADAEMO CC(C)[C@@H]1C[N@H+]2CCC[C@@H]2[C@@H]1N 39104262 571990900 /nfs/dbraw/zinc/99/09/00/571990900.db2.gz NCTGJQCEKGJWIA-IVZWLZJFSA-N 1 1 168.284 1.064 10 0 ADAEMO COCC[C@H](C)Nc1ccc(N)c[nH+]1 81705738 571990944 /nfs/dbraw/zinc/99/09/44/571990944.db2.gz OTHYUMMJSJOTNU-QMMMGPOBSA-N 1 1 195.266 1.501 10 0 ADAEMO COCC[C@@H](C)Nc1ccc(N)c[nH+]1 81705743 571991007 /nfs/dbraw/zinc/99/10/07/571991007.db2.gz OTHYUMMJSJOTNU-MRVPVSSYSA-N 1 1 195.266 1.501 10 0 ADAEMO COC(=O)[C@H]([NH3+])C[C@H](C)CC(C)C 300858077 571991123 /nfs/dbraw/zinc/99/11/23/571991123.db2.gz GCKHGXVDSHPPFL-RKDXNWHRSA-N 1 1 187.283 1.559 10 0 ADAEMO CC(C)C[C@H](O)C[N@H+]1CCC[C@H]1C 300215150 571991510 /nfs/dbraw/zinc/99/15/10/571991510.db2.gz NMWLLPUEJDXECK-MNOVXSKESA-N 1 1 185.311 1.878 10 0 ADAEMO C[N@H+]1C[C@@H](CO)C[C@H]1c1cccnc1 13738863 571991552 /nfs/dbraw/zinc/99/15/52/571991552.db2.gz PDUFHVSTSKCGDQ-ONGXEEELSA-N 1 1 192.262 1.067 10 0 ADAEMO COCC[C@@H](C)Nc1[nH+]cccc1N 81705225 571991803 /nfs/dbraw/zinc/99/18/03/571991803.db2.gz WOFYYUOYAKSALN-MRVPVSSYSA-N 1 1 195.266 1.501 10 0 ADAEMO C[N@@H+](CCCC1CC1)C(C)(C)CN 400757594 571992002 /nfs/dbraw/zinc/99/20/02/571992002.db2.gz MVJHPRCCFZONBK-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CN(CCCC1CC1)C(C)(C)C[NH3+] 400757594 571992006 /nfs/dbraw/zinc/99/20/06/571992006.db2.gz MVJHPRCCFZONBK-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO COCC[C@H](C)[N@H+]1CCC(=O)C[C@H]1C 81715832 571992165 /nfs/dbraw/zinc/99/21/65/571992165.db2.gz ZSMQHNWSESNTHY-VHSXEESVSA-N 1 1 199.294 1.465 10 0 ADAEMO C[NH2+][C@@H]1CCC[C@H]1N1C[C@@H]2CC[C@H]1C2 687771922 571992331 /nfs/dbraw/zinc/99/23/31/571992331.db2.gz NPANQIGYDGDEFU-WRWGMCAJSA-N 1 1 194.322 1.611 10 0 ADAEMO CCCCC[N@H+]1CC[C@@H](O)[C@@H]1C 393444268 571992603 /nfs/dbraw/zinc/99/26/03/571992603.db2.gz QQXKWNHQWVIRLM-VHSXEESVSA-N 1 1 171.284 1.632 10 0 ADAEMO COCC[C@@H](C)Nc1ccc(N)[nH+]c1 81705457 571992598 /nfs/dbraw/zinc/99/25/98/571992598.db2.gz RBACXPQCRVWBDK-MRVPVSSYSA-N 1 1 195.266 1.501 10 0 ADAEMO CCOC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687771342 571992784 /nfs/dbraw/zinc/99/27/84/571992784.db2.gz SYMYQHQCPDCOEA-BBBLOLIVSA-N 1 1 197.278 1.422 10 0 ADAEMO COCC[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C 81715835 571992867 /nfs/dbraw/zinc/99/28/67/571992867.db2.gz ZSMQHNWSESNTHY-UWVGGRQHSA-N 1 1 199.294 1.465 10 0 ADAEMO CNc1nccn1[C@@H](C)C[NH+](C)C 234498211 571993084 /nfs/dbraw/zinc/99/30/84/571993084.db2.gz GQKBMXFQYQCURD-QMMMGPOBSA-N 1 1 182.271 1.047 10 0 ADAEMO C[C@H]1CC[NH2+][C@H]1CNCC1(C)CC1 235567026 571993154 /nfs/dbraw/zinc/99/31/54/571993154.db2.gz UJWZSPVFMSPZMC-UWVGGRQHSA-N 1 1 182.311 1.374 10 0 ADAEMO COC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687771128 571993236 /nfs/dbraw/zinc/99/32/36/571993236.db2.gz CXEXHOFJHTVSTM-YIZRAAEISA-N 1 1 183.251 1.032 10 0 ADAEMO CC[N@@H+](CCN)[C@H](C)C1CCCC1 300864385 571993371 /nfs/dbraw/zinc/99/33/71/571993371.db2.gz VWKZHRXOTVRDII-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+][C@@H]1CCC[C@@H]1N1C[C@@H]2CC[C@H]1C2 687771919 571993520 /nfs/dbraw/zinc/99/35/20/571993520.db2.gz NPANQIGYDGDEFU-KXNHARMFSA-N 1 1 194.322 1.611 10 0 ADAEMO C[C@H]1CC[N@H+]1CCCCCCO 235562065 571993656 /nfs/dbraw/zinc/99/36/56/571993656.db2.gz UAQIFJCVUQIOHL-JTQLQIEISA-N 1 1 171.284 1.633 10 0 ADAEMO C[NH2+]Cc1n[nH]cc1C1CCOCC1 219484642 571993776 /nfs/dbraw/zinc/99/37/76/571993776.db2.gz MHHQATXQUYPBLK-UHFFFAOYSA-N 1 1 195.266 1.023 10 0 ADAEMO CC[N@@H+](CCN)[C@@H](C)C1CCCC1 300864383 571993786 /nfs/dbraw/zinc/99/37/86/571993786.db2.gz VWKZHRXOTVRDII-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+][C@H]1CCC[C@@H]1N1C[C@@H]2CC[C@H]1C2 687771921 571993807 /nfs/dbraw/zinc/99/38/07/571993807.db2.gz NPANQIGYDGDEFU-RHYQMDGZSA-N 1 1 194.322 1.611 10 0 ADAEMO C[C@H]1CC[NH2+][C@H]1CNCC1(C)CCC1 235567049 571994466 /nfs/dbraw/zinc/99/44/66/571994466.db2.gz VGSZZIPJZXRODB-QWRGUYRKSA-N 1 1 196.338 1.764 10 0 ADAEMO CCCC[N@H+]1CCN(N=O)C[C@@H]1C 39115100 571996097 /nfs/dbraw/zinc/99/60/97/571996097.db2.gz UMDNICHBGYIWFS-VIFPVBQESA-N 1 1 185.271 1.474 10 0 ADAEMO CC[NH+](CC)Cc1occc1C=O 74302331 571994712 /nfs/dbraw/zinc/99/47/12/571994712.db2.gz TZZNDDMIZXESOO-UHFFFAOYSA-N 1 1 181.235 1.934 10 0 ADAEMO Cc1oc(N)cc1-n1cc[nH+]c1C 74307461 571994751 /nfs/dbraw/zinc/99/47/51/571994751.db2.gz XHTWJOHXIXKMEP-UHFFFAOYSA-N 1 1 177.207 1.664 10 0 ADAEMO CO[C@H](C)C[N@H+]1CCC[C@@H]1CF 393446292 571994829 /nfs/dbraw/zinc/99/48/29/571994829.db2.gz ATJBXJKPVKWHMK-RKDXNWHRSA-N 1 1 175.247 1.455 10 0 ADAEMO CC(C)C[C@@H](N)[C@H](C)[NH+]1CCCC1 74282261 571994877 /nfs/dbraw/zinc/99/48/77/571994877.db2.gz SLSABGBCKQJNOM-WDEREUQCSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@@H]([NH3+])[C@H](C)N1CCCC1 74282261 571994879 /nfs/dbraw/zinc/99/48/79/571994879.db2.gz SLSABGBCKQJNOM-WDEREUQCSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@H](C)[C@H](C[NH3+])N(C)C 300869412 571994931 /nfs/dbraw/zinc/99/49/31/571994931.db2.gz HKJVRWPSLOSBIH-UWVGGRQHSA-N 1 1 172.316 1.558 10 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207023377 571995714 /nfs/dbraw/zinc/99/57/14/571995714.db2.gz YEFDCQUDBQZKDW-UHFFFAOYSA-N 1 1 183.226 1.896 10 0 ADAEMO CN(C)[C@@H](CC[NH3+])Cc1ccco1 74300424 571995728 /nfs/dbraw/zinc/99/57/28/571995728.db2.gz AIRWRRHIHBBMEU-VIFPVBQESA-N 1 1 182.267 1.101 10 0 ADAEMO CO[C@@H](C)C[N@H+]1CCC[C@@H]1CF 393446289 571995735 /nfs/dbraw/zinc/99/57/35/571995735.db2.gz ATJBXJKPVKWHMK-DTWKUNHWSA-N 1 1 175.247 1.455 10 0 ADAEMO CC[C@@H](O)[C@@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687772365 571995754 /nfs/dbraw/zinc/99/57/54/571995754.db2.gz OMUHZOKIYGQGDT-CHWFTXMASA-N 1 1 183.295 1.630 10 0 ADAEMO C[NH2+][C@H](C)[C@H](C)N1C[C@@H]2CC[C@H]1C2 687772305 571995848 /nfs/dbraw/zinc/99/58/48/571995848.db2.gz JYBGQPSYESNHFH-YTWAJWBKSA-N 1 1 182.311 1.467 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](CC(C)(C)C)NN 713182143 571995895 /nfs/dbraw/zinc/99/58/95/571995895.db2.gz ZGIFBBDLTWYQFX-ZJUUUORDSA-N 1 1 199.342 1.349 10 0 ADAEMO CC[NH2+][C@H](C)[C@H](C)N1C[C@@H]2CC[C@H]1C2 687771897 571995906 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/nfs/dbraw/zinc/03/96/85/572039685.db2.gz MVFMRWCHSLBYQT-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCCCN1CC[NH2+]C[C@H]1CC 82476492 572039701 /nfs/dbraw/zinc/03/97/01/572039701.db2.gz MVFMRWCHSLBYQT-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CC[C@H]1CNCC[N@H+]1CCC(C)C 82476486 572039992 /nfs/dbraw/zinc/03/99/92/572039992.db2.gz MSYQHMXJFYQZFF-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@H]1C[NH2+]CCN1CCC(C)C 82476486 572039994 /nfs/dbraw/zinc/03/99/94/572039994.db2.gz MSYQHMXJFYQZFF-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@H](C)C[N@H+]1CCNC[C@H]1CC 82476551 572040090 /nfs/dbraw/zinc/04/00/90/572040090.db2.gz IIRGXQMKZZPXSW-WDEREUQCSA-N 1 1 184.327 1.716 10 0 ADAEMO [NH3+][C@@H](CCCC(F)F)c1nc[nH]n1 687884225 572040213 /nfs/dbraw/zinc/04/02/13/572040213.db2.gz PFSHFKDEPWUSGX-YFKPBYRVSA-N 1 1 190.197 1.240 10 0 ADAEMO C[C@H]1CCC[N@H+](CCNC2CC2)CC1 82489117 572040275 /nfs/dbraw/zinc/04/02/75/572040275.db2.gz SITMZADRKRYXRG-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@H]1CCC[N@@H+](CCNC2CC2)CC1 82489117 572040276 /nfs/dbraw/zinc/04/02/76/572040276.db2.gz SITMZADRKRYXRG-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CCCCC[N@H+]1CCNC[C@@H]1CC 82476491 572040349 /nfs/dbraw/zinc/04/03/49/572040349.db2.gz MVFMRWCHSLBYQT-NSHDSACASA-N 1 1 184.327 1.860 10 0 ADAEMO CCCCCN1CC[NH2+]C[C@@H]1CC 82476491 572040352 /nfs/dbraw/zinc/04/03/52/572040352.db2.gz MVFMRWCHSLBYQT-NSHDSACASA-N 1 1 184.327 1.860 10 0 ADAEMO CC[C@@H](C)CN1CC[NH2+][C@H](CC)C1=O 82477035 572040624 /nfs/dbraw/zinc/04/06/24/572040624.db2.gz JDULRYPNYJHQLY-NXEZZACHSA-N 1 1 198.310 1.243 10 0 ADAEMO [NH3+][C@H](CCCC(F)F)c1nc[nH]n1 687884224 572040724 /nfs/dbraw/zinc/04/07/24/572040724.db2.gz PFSHFKDEPWUSGX-RXMQYKEDSA-N 1 1 190.197 1.240 10 0 ADAEMO CCCC[N@H+]1CCNC[C@H]1CC 82476482 572040854 /nfs/dbraw/zinc/04/08/54/572040854.db2.gz FAVANXAGSMVRDW-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO CCCCN1CC[NH2+]C[C@H]1CC 82476482 572040858 /nfs/dbraw/zinc/04/08/58/572040858.db2.gz FAVANXAGSMVRDW-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO CCCC[N@H+]1CCNC[C@@H]1CC 82476481 572041134 /nfs/dbraw/zinc/04/11/34/572041134.db2.gz FAVANXAGSMVRDW-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CC[C@@H]1CNCC[N@H+]1CCC(C)C 82476485 572040921 /nfs/dbraw/zinc/04/09/21/572040921.db2.gz MSYQHMXJFYQZFF-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@@H]1C[NH2+]CCN1CCC(C)C 82476485 572040924 /nfs/dbraw/zinc/04/09/24/572040924.db2.gz MSYQHMXJFYQZFF-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CCCCN1CC[NH2+]C[C@@H]1CC 82476481 572041135 /nfs/dbraw/zinc/04/11/35/572041135.db2.gz FAVANXAGSMVRDW-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO Cc1[nH]nc2cc(CCC[NH3+])ccc12 219707936 572041186 /nfs/dbraw/zinc/04/11/86/572041186.db2.gz AWUOOEUTHMNNEZ-UHFFFAOYSA-N 1 1 189.262 1.763 10 0 ADAEMO CCC[C@H](C)C1([NH3+])CCN(C)CC1 687701774 572041190 /nfs/dbraw/zinc/04/11/90/572041190.db2.gz JIVPWHDJSGMJQJ-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO Cc1c(NC(N)=[NH2+])ccc2nc[nH]c12 38842767 572041395 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CC1=[NH+][C@H](c2ccccc2)NN1C 334139007 572042545 /nfs/dbraw/zinc/04/25/45/572042545.db2.gz GIBHADNTHKTDCA-JTQLQIEISA-N 1 1 175.235 1.554 10 0 ADAEMO CC[C@](C)([C@H]([NH3+])CCOC)N(C)C 687702631 572042689 /nfs/dbraw/zinc/04/26/89/572042689.db2.gz JFLNGCIGKXOJTR-NXEZZACHSA-N 1 1 188.315 1.081 10 0 ADAEMO CC[C@@H](N)C[N@@H+](C)CC1CCCC1 82492176 572042785 /nfs/dbraw/zinc/04/27/85/572042785.db2.gz QDBLSCPOCGEGSO-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H]([NH3+])CN(C)CC1CCCC1 82492176 572042787 /nfs/dbraw/zinc/04/27/87/572042787.db2.gz QDBLSCPOCGEGSO-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H](CN)[N@@H+](C)CC1CCCC1 82492004 572043367 /nfs/dbraw/zinc/04/33/67/572043367.db2.gz SJHSGOZYTJOOHW-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H]1CCCN[C@H]1C[NH2+]CCC1CC1 235594703 572043274 /nfs/dbraw/zinc/04/32/74/572043274.db2.gz FAFYGRXMSUSXFV-JQWIXIFHSA-N 1 1 196.338 1.764 10 0 ADAEMO CCO[C@@H](C(C)C)[C@@H]([NH3+])C(F)F 687702965 572043311 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IPYAEMSBATXXSH-BJDJZHNGSA-N 1 1 198.354 1.948 10 0 ADAEMO CCC(=O)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82649121 572072468 /nfs/dbraw/zinc/07/24/68/572072468.db2.gz UWNRTYKUSLYOEH-IUCAKERBSA-N 1 1 169.268 1.553 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+](C)C[C@](C)(N)C1CC1 82651170 572072908 /nfs/dbraw/zinc/07/29/08/572072908.db2.gz XLRSPJLMLOYGRH-SCVCMEIPSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[C@H]1CN(C)C[C@](C)([NH3+])C1CC1 82651170 572072909 /nfs/dbraw/zinc/07/29/09/572072909.db2.gz XLRSPJLMLOYGRH-SCVCMEIPSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@H]1C[C@H]1C[N@H+](C)CCC[C@@H](C)O 82649634 572072556 /nfs/dbraw/zinc/07/25/56/572072556.db2.gz TVTHNKHPWNXABU-AXFHLTTASA-N 1 1 185.311 1.735 10 0 ADAEMO COC(=O)CCC[N@@H+](C)C[C@H]1C[C@@H]1C 82648992 572072563 /nfs/dbraw/zinc/07/25/63/572072563.db2.gz RPMSHFFLQSBVPS-VHSXEESVSA-N 1 1 199.294 1.527 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O 82650263 572072595 /nfs/dbraw/zinc/07/25/95/572072595.db2.gz NKURNRURKUIAGQ-RHYQMDGZSA-N 1 1 197.322 1.735 10 0 ADAEMO COC(=O)CC[N@@H+](C)C[C@@H]1C[C@H]1C 82648973 572072601 /nfs/dbraw/zinc/07/26/01/572072601.db2.gz LUPNIKWVQBDGLI-BDAKNGLRSA-N 1 1 185.267 1.137 10 0 ADAEMO COC(=O)CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82648974 572072700 /nfs/dbraw/zinc/07/27/00/572072700.db2.gz LUPNIKWVQBDGLI-IUCAKERBSA-N 1 1 185.267 1.137 10 0 ADAEMO CC(C)C[C@@H](CN)[N@@H+](C)C[C@@H]1C[C@@H]1C 82651744 572072717 /nfs/dbraw/zinc/07/27/17/572072717.db2.gz MZWLBCMQCBUTEW-SRVKXCTJSA-N 1 1 198.354 1.948 10 0 ADAEMO CC(C)C[C@@H](C[NH3+])N(C)C[C@@H]1C[C@@H]1C 82651744 572072719 /nfs/dbraw/zinc/07/27/19/572072719.db2.gz MZWLBCMQCBUTEW-SRVKXCTJSA-N 1 1 198.354 1.948 10 0 ADAEMO CCC[C@@H]([NH3+])CN(CCC)C1CC1 36873639 572072770 /nfs/dbraw/zinc/07/27/70/572072770.db2.gz HRSBMVNOAUMRNT-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@H](N)C[N@H+](CCC)C1CC1 36873639 572072773 /nfs/dbraw/zinc/07/27/73/572072773.db2.gz HRSBMVNOAUMRNT-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@H](N)C[N@@H+](CCC)C1CC1 36873639 572072777 /nfs/dbraw/zinc/07/27/77/572072777.db2.gz HRSBMVNOAUMRNT-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO CC[C@H](O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82649611 572072849 /nfs/dbraw/zinc/07/28/49/572072849.db2.gz ILOUOCIJAJSCLB-NAKRPEOUSA-N 1 1 185.311 1.734 10 0 ADAEMO CCC[C@@H](N)C[N@@H+](C)C1CCCC1 36873633 572072852 /nfs/dbraw/zinc/07/28/52/572072852.db2.gz GQXMRIJZJPFTHY-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@H]([NH3+])CN(C)C1CCCC1 36873633 572072854 /nfs/dbraw/zinc/07/28/54/572072854.db2.gz GQXMRIJZJPFTHY-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@H]1C[C@H]1C[N@H+](C)CC[C@@H](C)O 82649646 572072879 /nfs/dbraw/zinc/07/28/79/572072879.db2.gz SUAFLPAJVNIDJF-AEJSXWLSSA-N 1 1 171.284 1.345 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](CN)C1CC1 36884041 572073040 /nfs/dbraw/zinc/07/30/40/572073040.db2.gz SEEUWYRZFGXPEA-ONGXEEELSA-N 1 1 184.327 1.700 10 0 ADAEMO C=COCCC[NH2+]Cc1ccn[nH]1 36900256 572073021 /nfs/dbraw/zinc/07/30/21/572073021.db2.gz SFVRMIFJTVOYAS-UHFFFAOYSA-N 1 1 181.239 1.050 10 0 ADAEMO CCC[C@@H](N)C[N@@H+](C)[C@@H](C)C1CC1 36873684 572073049 /nfs/dbraw/zinc/07/30/49/572073049.db2.gz YVWRVHDLPYHLCZ-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@@H]([NH3+])CN(C)[C@@H](C)C1CC1 36873684 572073051 /nfs/dbraw/zinc/07/30/51/572073051.db2.gz YVWRVHDLPYHLCZ-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@@H](N)C[N@@H+](CC)C(C)C 36873629 572073063 /nfs/dbraw/zinc/07/30/63/572073063.db2.gz PVVFITZCKDMXGP-SNVBAGLBSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[C@@H]([NH3+])CN(CC)C(C)C 36873629 572073066 /nfs/dbraw/zinc/07/30/66/572073066.db2.gz PVVFITZCKDMXGP-SNVBAGLBSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[N@H+](C1CC1)[C@@H](CN)C1CC1 36883994 572073071 /nfs/dbraw/zinc/07/30/71/572073071.db2.gz LIJZRNRVCWIGHE-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO CCCN(C1CC1)[C@@H](C[NH3+])C1CC1 36883994 572073073 /nfs/dbraw/zinc/07/30/73/572073073.db2.gz LIJZRNRVCWIGHE-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO CCC[C@H](N)C[N@@H+](C)[C@@H](C)C1CC1 36873683 572073099 /nfs/dbraw/zinc/07/30/99/572073099.db2.gz YVWRVHDLPYHLCZ-ONGXEEELSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@H]([NH3+])CN(C)[C@@H](C)C1CC1 36873683 572073102 /nfs/dbraw/zinc/07/31/02/572073102.db2.gz YVWRVHDLPYHLCZ-ONGXEEELSA-N 1 1 184.327 1.844 10 0 ADAEMO C[N@H+](C1CCCC1)[C@H](CN)C1CC1 36883989 572073210 /nfs/dbraw/zinc/07/32/10/572073210.db2.gz FDAOUGZGXLXXBA-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@H]1CCC[N@H+](C[C@H](N)CC)C1 36872106 572073217 /nfs/dbraw/zinc/07/32/17/572073217.db2.gz WMQVRVBOJNNETM-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H]1CCCN(C[C@H]([NH3+])CC)C1 36872106 572073222 /nfs/dbraw/zinc/07/32/22/572073222.db2.gz WMQVRVBOJNNETM-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[N@@H+](C(C)C)[C@@H](CN)C1CC1 36883992 572073244 /nfs/dbraw/zinc/07/32/44/572073244.db2.gz CITRIASYJBNFMS-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO C=COCCC[NH2+]Cc1cn[nH]c1C 36901680 572073259 /nfs/dbraw/zinc/07/32/59/572073259.db2.gz NUBKXFRECUOHBT-UHFFFAOYSA-N 1 1 195.266 1.358 10 0 ADAEMO C[N@H+]1[C@H]2CCCC(=O)[C@@H]1CC2 34299921 572073285 /nfs/dbraw/zinc/07/32/85/572073285.db2.gz NSXLLMSGQVUQOG-YUMQZZPRSA-N 1 1 153.225 1.202 10 0 ADAEMO CCC[N@@H+](CC)[C@H](CN)C1CC1 36883991 572073296 /nfs/dbraw/zinc/07/32/96/572073296.db2.gz FBGWCZBYWJCWGZ-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO COC(=O)C[NH2+]CC1(C)CCCC1 82625383 572073454 /nfs/dbraw/zinc/07/34/54/572073454.db2.gz NNFLVIQADMRZLJ-UHFFFAOYSA-N 1 1 185.267 1.329 10 0 ADAEMO COC(=O)[C@@H](C)[NH2+]CC1(C)CCCC1 82625408 572073497 /nfs/dbraw/zinc/07/34/97/572073497.db2.gz LPRYWSYVOJDHAT-SECBINFHSA-N 1 1 199.294 1.718 10 0 ADAEMO CCC[C@H]([NH3+])CN(CCC)C1CC1 36873638 572073655 /nfs/dbraw/zinc/07/36/55/572073655.db2.gz HRSBMVNOAUMRNT-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H](N)C[N@H+](CCC)C1CC1 36873638 572073657 /nfs/dbraw/zinc/07/36/57/572073657.db2.gz HRSBMVNOAUMRNT-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H](N)C[N@@H+](CCC)C1CC1 36873638 572073660 /nfs/dbraw/zinc/07/36/60/572073660.db2.gz HRSBMVNOAUMRNT-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H](N)C[N@@H+](C)CC(C)C 36873642 572073708 /nfs/dbraw/zinc/07/37/08/572073708.db2.gz DTMANZOMILIJTC-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[C@H]([NH3+])CN(C)CC(C)C 36873642 572073711 /nfs/dbraw/zinc/07/37/11/572073711.db2.gz DTMANZOMILIJTC-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO CC[C@H]1CCC[N@H+]([C@@H](CN)C2CC2)C1 36884049 572073717 /nfs/dbraw/zinc/07/37/17/572073717.db2.gz YRGBREGEKKYHIE-JQWIXIFHSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[N@@H+](CC(C)C)[C@@H](CN)C1CC1 36884002 572073846 /nfs/dbraw/zinc/07/38/46/572073846.db2.gz FXBWCWIJRKWVAM-NSHDSACASA-N 1 1 184.327 1.702 10 0 ADAEMO COC(=O)[C@H](C)[NH2+]CC1(C)CCCC1 82625407 572073746 /nfs/dbraw/zinc/07/37/46/572073746.db2.gz LPRYWSYVOJDHAT-VIFPVBQESA-N 1 1 199.294 1.718 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+](C)[C@@H](CN)C1CC1 36884038 572073790 /nfs/dbraw/zinc/07/37/90/572073790.db2.gz XPZFHBXQNIXMQV-KWQFWETISA-N 1 1 182.311 1.454 10 0 ADAEMO CCCNC(=O)[C@@H](C)n1cc[nH+]c1C 82615307 572073838 /nfs/dbraw/zinc/07/38/38/572073838.db2.gz NJWMJUQVJJPRCN-MRVPVSSYSA-N 1 1 195.266 1.279 10 0 ADAEMO CC[N@H+](C1CCCC1)[C@H](CN)C1CC1 36884025 572073870 /nfs/dbraw/zinc/07/38/70/572073870.db2.gz QEGIIRCEDVCIRM-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H](N)C[NH2+]CC1(C)CCCC1 82625865 572073886 /nfs/dbraw/zinc/07/38/86/572073886.db2.gz FHAQUGITUIZMKC-JTQLQIEISA-N 1 1 184.327 1.894 10 0 ADAEMO CC[C@@H]1CCCC[N@H+]1[C@@H](CN)C1CC1 36883986 572073901 /nfs/dbraw/zinc/07/39/01/572073901.db2.gz ADKXOYDCHOLDEP-NEPJUHHUSA-N 1 1 196.338 1.988 10 0 ADAEMO C=COCCC[NH2+]Cc1csnn1 36902135 572073935 /nfs/dbraw/zinc/07/39/35/572073935.db2.gz WYKLLJKHXVUOIO-UHFFFAOYSA-N 1 1 199.279 1.178 10 0 ADAEMO CCN(C1CC1)[C@H](C[NH3+])C1CC1 36883981 572074184 /nfs/dbraw/zinc/07/41/84/572074184.db2.gz KZTSHFHLYVBCQF-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CCC[C@@H]([NH3+])CN(C)[C@@H](C)CC 36873645 572074210 /nfs/dbraw/zinc/07/42/10/572074210.db2.gz FWBQHUQSJACHDB-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[C@H](C)[N@@H+](C)[C@@H](CN)C1CC1 36884045 572074167 /nfs/dbraw/zinc/07/41/67/572074167.db2.gz PGZSLXUBKYDOTL-ONGXEEELSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@H+](C1CC1)[C@H](CN)C1CC1 36883981 572074181 /nfs/dbraw/zinc/07/41/81/572074181.db2.gz KZTSHFHLYVBCQF-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CCC[C@@H](N)C[N@@H+](C)[C@@H](C)CC 36873645 572074207 /nfs/dbraw/zinc/07/42/07/572074207.db2.gz FWBQHUQSJACHDB-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO CC[C@@H]1CCC[N@H+]([C@@H](CN)C2CC2)C1 36884048 572074417 /nfs/dbraw/zinc/07/44/17/572074417.db2.gz YRGBREGEKKYHIE-PWSUYJOCSA-N 1 1 196.338 1.846 10 0 ADAEMO CC1(CNC[C@@H]2CCC[NH2+]2)CCCC1 82625842 572074260 /nfs/dbraw/zinc/07/42/60/572074260.db2.gz SSVCWAOLOLCIRC-NSHDSACASA-N 1 1 196.338 1.908 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H](CN)C1CC1 36884001 572074410 /nfs/dbraw/zinc/07/44/10/572074410.db2.gz MYAHXATYYCZIMU-WPRPVWTQSA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[C@H](N)C[N@@H+](C)C1CCCC1 36873632 572074529 /nfs/dbraw/zinc/07/45/29/572074529.db2.gz GQXMRIJZJPFTHY-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H]([NH3+])CN(C)C1CCCC1 36873632 572074532 /nfs/dbraw/zinc/07/45/32/572074532.db2.gz GQXMRIJZJPFTHY-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@H](N)C[NH2+]CC1(C)CCCC1 82625853 572074556 /nfs/dbraw/zinc/07/45/56/572074556.db2.gz LYNRQPWZQGALIH-VIFPVBQESA-N 1 1 170.300 1.504 10 0 ADAEMO C[NH2+]CCCCNCc1cscn1 82626904 572074619 /nfs/dbraw/zinc/07/46/19/572074619.db2.gz UCWVKLDNASLXSA-UHFFFAOYSA-N 1 1 199.323 1.232 10 0 ADAEMO CC[C@H]([NH3+])C[NH2+]CCc1cscn1 82627043 572074596 /nfs/dbraw/zinc/07/45/96/572074596.db2.gz HFVBRPXKFOZIBD-QMMMGPOBSA-N 1 1 199.323 1.013 10 0 ADAEMO CCCC[N@@H+](CC)[C@H](CN)C1CC1 36883940 572074697 /nfs/dbraw/zinc/07/46/97/572074697.db2.gz VBRQLVYEOVAQTB-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)(N)C[NH2+]CC1(C)CCCC1 82625847 572074829 /nfs/dbraw/zinc/07/48/29/572074829.db2.gz OFOFVRMZTKAPOR-UHFFFAOYSA-N 1 1 184.327 1.894 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](CN)C1CC1 36884044 572075744 /nfs/dbraw/zinc/07/57/44/572075744.db2.gz PGZSLXUBKYDOTL-KOLCDFICSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@@H+](CCC[NH3+])C1CCCC1 36883446 572074873 /nfs/dbraw/zinc/07/48/73/572074873.db2.gz MZAZWWUOUVQNEC-UHFFFAOYSA-N 1 1 170.300 1.600 10 0 ADAEMO CCOC(=O)C[NH2+]CC1(C)CCCC1 82625442 572074909 /nfs/dbraw/zinc/07/49/09/572074909.db2.gz WAOYPVKXNLVLLO-UHFFFAOYSA-N 1 1 199.294 1.719 10 0 ADAEMO CCC[C@@H](N)C[N@@H+](CC)CCC 36873635 572074964 /nfs/dbraw/zinc/07/49/64/572074964.db2.gz LQUQADQSAIKIAP-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CCC[C@@H]([NH3+])CN(CC)CCC 36873635 572074966 /nfs/dbraw/zinc/07/49/66/572074966.db2.gz LQUQADQSAIKIAP-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CCC[C@@H]([NH3+])CN(C)C(C)C 36873561 572074984 /nfs/dbraw/zinc/07/49/84/572074984.db2.gz UZJRYLHVVAQXBW-SECBINFHSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[C@@H](N)C[N@H+](C)C(C)C 36873561 572074986 /nfs/dbraw/zinc/07/49/86/572074986.db2.gz UZJRYLHVVAQXBW-SECBINFHSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[C@@H](N)C[N@@H+](C)C(C)C 36873561 572074988 /nfs/dbraw/zinc/07/49/88/572074988.db2.gz UZJRYLHVVAQXBW-SECBINFHSA-N 1 1 158.289 1.454 10 0 ADAEMO CCCNC(=O)[C@H](C)n1cc[nH+]c1C 82615308 572075009 /nfs/dbraw/zinc/07/50/09/572075009.db2.gz NJWMJUQVJJPRCN-QMMMGPOBSA-N 1 1 195.266 1.279 10 0 ADAEMO C[C@@H](N)C[NH2+]CC1(C)CCCC1 82625854 572075026 /nfs/dbraw/zinc/07/50/26/572075026.db2.gz LYNRQPWZQGALIH-SECBINFHSA-N 1 1 170.300 1.504 10 0 ADAEMO CCC[C@H](N)C[N@@H+](CC)CCC 36873634 572075067 /nfs/dbraw/zinc/07/50/67/572075067.db2.gz LQUQADQSAIKIAP-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CCC[C@H]([NH3+])CN(CC)CCC 36873634 572075070 /nfs/dbraw/zinc/07/50/70/572075070.db2.gz LQUQADQSAIKIAP-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CCC(CC)[N@@H+](C)[C@@H](CN)C1CC1 36884042 572075098 /nfs/dbraw/zinc/07/50/98/572075098.db2.gz NALWJDZTTNXBCE-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@@H+](C(C)C)[C@@H](CN)C1CC1 36883984 572075115 /nfs/dbraw/zinc/07/51/15/572075115.db2.gz PCNSCNBMJYBWMS-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[C@H](N)C[N@@H+](C)[C@@H](C)CC 36873644 572075120 /nfs/dbraw/zinc/07/51/20/572075120.db2.gz FWBQHUQSJACHDB-UWVGGRQHSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[C@H]([NH3+])CN(C)[C@@H](C)CC 36873644 572075123 /nfs/dbraw/zinc/07/51/23/572075123.db2.gz FWBQHUQSJACHDB-UWVGGRQHSA-N 1 1 172.316 1.844 10 0 ADAEMO CC[C@@H]([NH3+])C[NH2+]CCc1cscn1 82627044 572075249 /nfs/dbraw/zinc/07/52/49/572075249.db2.gz HFVBRPXKFOZIBD-MRVPVSSYSA-N 1 1 199.323 1.013 10 0 ADAEMO C[N@H+](C1CCCCC1)[C@H](CN)C1CC1 36883893 572075284 /nfs/dbraw/zinc/07/52/84/572075284.db2.gz KJNYAQDGMAJCDG-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](CN)C1CC1 36884004 572075412 /nfs/dbraw/zinc/07/54/12/572075412.db2.gz JENZLAOAWLAXAW-KOLCDFICSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[N@@H+](CC)[C@@H](CN)C1CC1 36883990 572075420 /nfs/dbraw/zinc/07/54/20/572075420.db2.gz FBGWCZBYWJCWGZ-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO C[N@H+](C1CCCC1)[C@@H](CN)C1CC1 36883988 572075438 /nfs/dbraw/zinc/07/54/38/572075438.db2.gz FDAOUGZGXLXXBA-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H](CN)C1CC1 36884040 572075491 /nfs/dbraw/zinc/07/54/91/572075491.db2.gz SEEUWYRZFGXPEA-KOLCDFICSA-N 1 1 184.327 1.700 10 0 ADAEMO CC[C@H]1CCCC[N@H+]1[C@@H](CN)C1CC1 36883987 572075500 /nfs/dbraw/zinc/07/55/00/572075500.db2.gz ADKXOYDCHOLDEP-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCC[N@@H+](CC)[C@@H](CN)C1CC1 36883939 572075514 /nfs/dbraw/zinc/07/55/14/572075514.db2.gz VBRQLVYEOVAQTB-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[N@@H+](C(C)C)[C@H](CN)C1CC1 36883993 572075736 /nfs/dbraw/zinc/07/57/36/572075736.db2.gz CITRIASYJBNFMS-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)([NH3+])CNCCc1cscn1 82627025 572075552 /nfs/dbraw/zinc/07/55/52/572075552.db2.gz KNOCBDVOCRHFNK-UHFFFAOYSA-N 1 1 199.323 1.013 10 0 ADAEMO CC[N@@H+](C(C)C)[C@H](CN)C1CC1 36883985 572075740 /nfs/dbraw/zinc/07/57/40/572075740.db2.gz PCNSCNBMJYBWMS-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[C@H](N)C[N@@H+](CC)C(C)C 36873628 572075586 /nfs/dbraw/zinc/07/55/86/572075586.db2.gz PVVFITZCKDMXGP-JTQLQIEISA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[C@H]([NH3+])CN(CC)C(C)C 36873628 572075588 /nfs/dbraw/zinc/07/55/88/572075588.db2.gz PVVFITZCKDMXGP-JTQLQIEISA-N 1 1 172.316 1.844 10 0 ADAEMO CC[N@H+](C1CC1)[C@@H](CN)C1CC1 36883980 572075594 /nfs/dbraw/zinc/07/55/94/572075594.db2.gz KZTSHFHLYVBCQF-JTQLQIEISA-N 1 1 168.284 1.208 10 0 ADAEMO CCN(C1CC1)[C@@H](C[NH3+])C1CC1 36883980 572075597 /nfs/dbraw/zinc/07/55/97/572075597.db2.gz KZTSHFHLYVBCQF-JTQLQIEISA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@H+](C1CCCCC1)[C@@H](CN)C1CC1 36883892 572075629 /nfs/dbraw/zinc/07/56/29/572075629.db2.gz KJNYAQDGMAJCDG-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H](N)C[NH2+]CC1(C)CCCC1 82625866 572075642 /nfs/dbraw/zinc/07/56/42/572075642.db2.gz FHAQUGITUIZMKC-SNVBAGLBSA-N 1 1 184.327 1.894 10 0 ADAEMO CC[N@H+](C1CCCC1)[C@@H](CN)C1CC1 36884024 572075690 /nfs/dbraw/zinc/07/56/90/572075690.db2.gz QEGIIRCEDVCIRM-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CCC[N@@H+](CCC[NH3+])C1CCCC1 36883454 572075769 /nfs/dbraw/zinc/07/57/69/572075769.db2.gz QIJQKSQOQNMICH-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)[C@@H](CN)C1CC1 36884005 572075802 /nfs/dbraw/zinc/07/58/02/572075802.db2.gz JENZLAOAWLAXAW-ONGXEEELSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)[C@@H](CN)C1CC1 36884039 572075835 /nfs/dbraw/zinc/07/58/35/572075835.db2.gz XPZFHBXQNIXMQV-KCJUWKMLSA-N 1 1 182.311 1.454 10 0 ADAEMO CCCCC[N@@H+](CCC[NH3+])C1CC1 36883461 572075902 /nfs/dbraw/zinc/07/59/02/572075902.db2.gz CKOJHJFDLBQRFJ-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)[C@@H](CN)C1CC1 36884000 572075926 /nfs/dbraw/zinc/07/59/26/572075926.db2.gz MYAHXATYYCZIMU-SCZZXKLOSA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[C@@H](N)C[N@@H+](C)CC(C)C 36873643 572075966 /nfs/dbraw/zinc/07/59/66/572075966.db2.gz DTMANZOMILIJTC-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[C@@H]([NH3+])CN(C)CC(C)C 36873643 572075967 /nfs/dbraw/zinc/07/59/67/572075967.db2.gz DTMANZOMILIJTC-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[N@H+](C1CC1)[C@H](CN)C1CC1 36883995 572075970 /nfs/dbraw/zinc/07/59/70/572075970.db2.gz LIJZRNRVCWIGHE-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO CCCN(C1CC1)[C@H](C[NH3+])C1CC1 36883995 572075971 /nfs/dbraw/zinc/07/59/71/572075971.db2.gz LIJZRNRVCWIGHE-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO CCC(CC)[C@H](C)[NH2+]CC(=O)OC 82632104 572076008 /nfs/dbraw/zinc/07/60/08/572076008.db2.gz RRIHBHLBUQRKMS-QMMMGPOBSA-N 1 1 187.283 1.574 10 0 ADAEMO CCC(CC)[C@@H](C)[NH2+]CC(=O)OC 82632101 572076049 /nfs/dbraw/zinc/07/60/49/572076049.db2.gz RRIHBHLBUQRKMS-MRVPVSSYSA-N 1 1 187.283 1.574 10 0 ADAEMO C[C@@H](Cc1nnc(C[NH3+])o1)C(C)(C)C 82628804 572076555 /nfs/dbraw/zinc/07/65/55/572076555.db2.gz DTSMEANGJNYFEM-ZETCQYMHSA-N 1 1 197.282 1.753 10 0 ADAEMO C[C@H](Cc1nnc(C[NH3+])o1)C(C)(C)C 82628805 572076321 /nfs/dbraw/zinc/07/63/21/572076321.db2.gz DTSMEANGJNYFEM-SSDOTTSWSA-N 1 1 197.282 1.753 10 0 ADAEMO Cc1ccc([C@@H]([C@H](C)N)[NH+](C)C)cc1 42908048 572076478 /nfs/dbraw/zinc/07/64/78/572076478.db2.gz QUTHTLAZWHWGDF-CMPLNLGQSA-N 1 1 192.306 1.945 10 0 ADAEMO Cc1ccc([C@H]([C@@H](C)N)[NH+](C)C)cc1 42908045 572076488 /nfs/dbraw/zinc/07/64/88/572076488.db2.gz QUTHTLAZWHWGDF-PWSUYJOCSA-N 1 1 192.306 1.945 10 0 ADAEMO Cc1ccc([C@@H]([C@@H](C)N)[NH+](C)C)cc1 42908043 572076639 /nfs/dbraw/zinc/07/66/39/572076639.db2.gz QUTHTLAZWHWGDF-ZYHUDNBSSA-N 1 1 192.306 1.945 10 0 ADAEMO COCCCSc1cc(N)cc[nH+]1 82629406 572077681 /nfs/dbraw/zinc/07/76/81/572077681.db2.gz RPEGHHRYKIKFPM-UHFFFAOYSA-N 1 1 198.291 1.792 10 0 ADAEMO CCC[NH2+][C@@H](CC(C)C)C(=O)OC 36981189 572077109 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199.294 1.058 10 0 ADAEMO CC[C@H](O)C[N@H+]1CCCC[C@@H]1C(C)=O 82645089 572078318 /nfs/dbraw/zinc/07/83/18/572078318.db2.gz XKZAUHWLMZQGMU-WDEREUQCSA-N 1 1 199.294 1.201 10 0 ADAEMO CCOCC[N@H+]1CCCC[C@@H]1C(C)=O 82645039 572078519 /nfs/dbraw/zinc/07/85/19/572078519.db2.gz OATZISQFTYWQOF-LLVKDONJSA-N 1 1 199.294 1.466 10 0 ADAEMO CCCC[N@@H+](C)[C@@H](C)[C@H](N)CC 36988577 572078662 /nfs/dbraw/zinc/07/86/62/572078662.db2.gz ZPUHMJWOWQHSGU-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCCN(C)[C@@H](C)[C@H]([NH3+])CC 36988577 572078664 /nfs/dbraw/zinc/07/86/64/572078664.db2.gz ZPUHMJWOWQHSGU-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO COCC[N@H+]1CCCC[C@H]1C(C)=O 82645163 572078676 /nfs/dbraw/zinc/07/86/76/572078676.db2.gz ILNFLSYFHBZUBB-JTQLQIEISA-N 1 1 185.267 1.076 10 0 ADAEMO CC(C)[C@H](N)C[N@@H+]1CC[C@@H](C2CC2)C1 400318413 572079218 /nfs/dbraw/zinc/07/92/18/572079218.db2.gz FDGRKVAACAZBQT-VXGBXAGGSA-N 1 1 196.338 1.702 10 0 ADAEMO COCCC[N@H+]1CCCC[C@H]1C(C)=O 82645197 572078746 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YDEFDHSHIKRZFX-VWYCJHECSA-N 1 1 190.246 1.264 10 0 ADAEMO C/C=C/CN1CCC[C@H](C[NH2+]CC)C1 82645869 572079313 /nfs/dbraw/zinc/07/93/13/572079313.db2.gz DVVXQCRAGIWWIV-OGOUPESXSA-N 1 1 196.338 1.884 10 0 ADAEMO CCOCC[N@H+]1CCCC[C@H]1C(C)=O 82645040 572079323 /nfs/dbraw/zinc/07/93/23/572079323.db2.gz OATZISQFTYWQOF-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO C/C=C/CN1CCC[C@@H](C[NH2+]CC)C1 82645868 572079537 /nfs/dbraw/zinc/07/95/37/572079537.db2.gz DVVXQCRAGIWWIV-PYEVWLCESA-N 1 1 196.338 1.884 10 0 ADAEMO CCCOC(=O)[C@@H]([NH3+])CCSC 37025324 572079591 /nfs/dbraw/zinc/07/95/91/572079591.db2.gz QAAOQCWMSDMQMI-ZETCQYMHSA-N 1 1 191.296 1.020 10 0 ADAEMO CCCC[N@H+]1CC[C@H](C)C[C@@H]1CN 82643378 572079612 /nfs/dbraw/zinc/07/96/12/572079612.db2.gz ZWKLMDWNGKRQCB-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO CCCCN1CC[C@H](C)C[C@@H]1C[NH3+] 82643378 572079616 /nfs/dbraw/zinc/07/96/16/572079616.db2.gz ZWKLMDWNGKRQCB-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO COCC[N@H+]1CCCC[C@@H]1C(C)=O 82645164 572080413 /nfs/dbraw/zinc/08/04/13/572080413.db2.gz ILNFLSYFHBZUBB-SNVBAGLBSA-N 1 1 185.267 1.076 10 0 ADAEMO COCCC[N@H+]1CCC[C@H](C(C)=O)C1 82644726 572079718 /nfs/dbraw/zinc/07/97/18/572079718.db2.gz IHBFMDXDIQJLBI-NSHDSACASA-N 1 1 199.294 1.324 10 0 ADAEMO CCCC[N@H+]1CC[C@@H](C)C[C@@H]1CN 82643379 572079727 /nfs/dbraw/zinc/07/97/27/572079727.db2.gz ZWKLMDWNGKRQCB-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO CCCCN1CC[C@@H](C)C[C@@H]1C[NH3+] 82643379 572079729 /nfs/dbraw/zinc/07/97/29/572079729.db2.gz ZWKLMDWNGKRQCB-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO CCCC[N@@H+](C)[C@H](C)[C@H](N)CC 36988579 572079733 /nfs/dbraw/zinc/07/97/33/572079733.db2.gz ZPUHMJWOWQHSGU-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCCN(C)[C@H](C)[C@H]([NH3+])CC 36988579 572079735 /nfs/dbraw/zinc/07/97/35/572079735.db2.gz ZPUHMJWOWQHSGU-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CC[C@H](CC(N)=S)[N@@H+](C)C(C)C 36986828 572079757 /nfs/dbraw/zinc/07/97/57/572079757.db2.gz WHPDBIFJZMKCRD-MRVPVSSYSA-N 1 1 188.340 1.781 10 0 ADAEMO COC(=O)[C@@H](CC(C)C)[NH2+]CC1CC1 36981164 572079816 /nfs/dbraw/zinc/07/98/16/572079816.db2.gz FAIWAWINIHTMRV-SNVBAGLBSA-N 1 1 199.294 1.574 10 0 ADAEMO CC[C@@H](O)C[N@H+]1CCC[C@H](C(C)=O)C1 82644601 572079899 /nfs/dbraw/zinc/07/98/99/572079899.db2.gz KJUAEGGVLVUIEO-WDEREUQCSA-N 1 1 199.294 1.058 10 0 ADAEMO CC[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1O 69238885 572080105 /nfs/dbraw/zinc/08/01/05/572080105.db2.gz MLXIKFOSAFZFPC-MNOVXSKESA-N 1 1 183.295 1.632 10 0 ADAEMO COCCC[N@H+]1CCC[C@@H](C(C)=O)C1 82644725 572080278 /nfs/dbraw/zinc/08/02/78/572080278.db2.gz IHBFMDXDIQJLBI-LLVKDONJSA-N 1 1 199.294 1.324 10 0 ADAEMO CC[C@H]([NH3+])[C@@H](C)N(CC)C1CC1 37079956 572080372 /nfs/dbraw/zinc/08/03/72/572080372.db2.gz ZGSDCIVFFIXWRJ-SCZZXKLOSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@H](N)[C@@H](C)[N@H+](CC)C1CC1 37079956 572080374 /nfs/dbraw/zinc/08/03/74/572080374.db2.gz ZGSDCIVFFIXWRJ-SCZZXKLOSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@H](N)[C@@H](C)[N@@H+](CC)C1CC1 37079956 572080376 /nfs/dbraw/zinc/08/03/76/572080376.db2.gz ZGSDCIVFFIXWRJ-SCZZXKLOSA-N 1 1 170.300 1.597 10 0 ADAEMO CCN(C)Cc1ccccc1C(N)=[NH2+] 37078957 572080387 /nfs/dbraw/zinc/08/03/87/572080387.db2.gz VYLZOIQUACEFQY-UHFFFAOYSA-N 1 1 191.278 1.422 10 0 ADAEMO CCC[C@H](C)[NH2+][C@@H](C)C(=O)OC 37073960 572080548 /nfs/dbraw/zinc/08/05/48/572080548.db2.gz IXRZWUYQISQPBQ-YUMQZZPRSA-N 1 1 173.256 1.326 10 0 ADAEMO Cc1c[nH+]c(Nc2cccnc2)[nH]1 235857961 572080556 /nfs/dbraw/zinc/08/05/56/572080556.db2.gz LOJYNBJLFRYAJL-UHFFFAOYSA-N 1 1 174.207 1.857 10 0 ADAEMO Cc1cn(C)c(N[C@@H](C)C[NH+](C)C)n1 235121937 572080605 /nfs/dbraw/zinc/08/06/05/572080605.db2.gz PDAGEJZRTOARHA-QMMMGPOBSA-N 1 1 196.298 1.091 10 0 ADAEMO CCC[C@H](CN)[N@@H+](CC)C1CC1 37079540 572080637 /nfs/dbraw/zinc/08/06/37/572080637.db2.gz WKKXEDOWEZDFHH-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@H](C[NH3+])N(CC)C1CC1 37079540 572080641 /nfs/dbraw/zinc/08/06/41/572080641.db2.gz WKKXEDOWEZDFHH-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@H](N)[C@@H](CC)[N@@H+](C)CC 37078681 572080655 /nfs/dbraw/zinc/08/06/55/572080655.db2.gz XTTZJQDJGDILMI-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[C@H]([NH3+])[C@@H](CC)N(C)CC 37078681 572080660 /nfs/dbraw/zinc/08/06/60/572080660.db2.gz XTTZJQDJGDILMI-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO CC(=O)[C@H]1CCCC[N@H+]1CCCCO 82645190 572080695 /nfs/dbraw/zinc/08/06/95/572080695.db2.gz IEKJQNMFYZOVIK-LLVKDONJSA-N 1 1 199.294 1.202 10 0 ADAEMO COCCC[N@H+]1CCCC[C@@H]1C(C)=O 82645198 572080841 /nfs/dbraw/zinc/08/08/41/572080841.db2.gz VEIDYIAIGLMOFN-LLVKDONJSA-N 1 1 199.294 1.466 10 0 ADAEMO CC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(C)=O 82645090 572080848 /nfs/dbraw/zinc/08/08/48/572080848.db2.gz XKZAUHWLMZQGMU-GHMZBOCLSA-N 1 1 199.294 1.201 10 0 ADAEMO CC[N@H+](C1CC1)[C@H](CN)CC(C)C 37079551 572080891 /nfs/dbraw/zinc/08/08/91/572080891.db2.gz VJXCNFVFHRFVAL-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CCN(C1CC1)[C@H](C[NH3+])CC(C)C 37079551 572080894 /nfs/dbraw/zinc/08/08/94/572080894.db2.gz VJXCNFVFHRFVAL-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CC(=O)[C@H]1CCC[N@@H+](CCCCO)C1 82644718 572080923 /nfs/dbraw/zinc/08/09/23/572080923.db2.gz RRRCBOZVKHHULM-NSHDSACASA-N 1 1 199.294 1.060 10 0 ADAEMO CCCCC[C@H](CN)[N@@H+](C)CC 37078466 572080938 /nfs/dbraw/zinc/08/09/38/572080938.db2.gz NVYVEVBLGWUXEA-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CCCCC[C@H](C[NH3+])N(C)CC 37078466 572080940 /nfs/dbraw/zinc/08/09/40/572080940.db2.gz NVYVEVBLGWUXEA-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CC(=O)[C@@H]1CCCC[N@H+]1CCCCO 82645189 572081050 /nfs/dbraw/zinc/08/10/50/572081050.db2.gz IEKJQNMFYZOVIK-NSHDSACASA-N 1 1 199.294 1.202 10 0 ADAEMO CCC[C@@H](CN)[N@@H+](CC)C1CC1 37079539 572081056 /nfs/dbraw/zinc/08/10/56/572081056.db2.gz WKKXEDOWEZDFHH-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@@H](C[NH3+])N(CC)C1CC1 37079539 572081059 /nfs/dbraw/zinc/08/10/59/572081059.db2.gz WKKXEDOWEZDFHH-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[N@@H+](CC)[C@@H](CC)CN 37094606 572081082 /nfs/dbraw/zinc/08/10/82/572081082.db2.gz OPRUNGVHVOXEON-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CC[N@@H+](C)CCOc1cccc(N)c1 37078092 572081095 /nfs/dbraw/zinc/08/10/95/572081095.db2.gz DWSSRONWJVPLPZ-UHFFFAOYSA-N 1 1 194.278 1.599 10 0 ADAEMO CCCN(CC)c1ccc(N)c[nH+]1 37094503 572081100 /nfs/dbraw/zinc/08/11/00/572081100.db2.gz FUJYUOJWWFKCBK-UHFFFAOYSA-N 1 1 179.267 1.900 10 0 ADAEMO CCC[C@@](C)(CN)[N@@H+](C)CC 37078488 572081127 /nfs/dbraw/zinc/08/11/27/572081127.db2.gz CHCHPDXLWOPGIS-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CCC[C@@](C)(C[NH3+])N(C)CC 37078488 572081129 /nfs/dbraw/zinc/08/11/29/572081129.db2.gz CHCHPDXLWOPGIS-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CC[N@H+](C1CC1)[C@@H](CN)C(C)C 37079549 572081146 /nfs/dbraw/zinc/08/11/46/572081146.db2.gz FUYOLUMIERQJDH-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CCN(C1CC1)[C@@H](C[NH3+])C(C)C 37079549 572081149 /nfs/dbraw/zinc/08/11/49/572081149.db2.gz FUYOLUMIERQJDH-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[C@@H](N)[C@@H](CC)[N@@H+](C)CC 37078682 572081196 /nfs/dbraw/zinc/08/11/96/572081196.db2.gz XTTZJQDJGDILMI-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[C@@H]([NH3+])[C@@H](CC)N(C)CC 37078682 572081198 /nfs/dbraw/zinc/08/11/98/572081198.db2.gz XTTZJQDJGDILMI-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO COC(=O)[C@H](C)[NH2+]C(C1CC1)C1CC1 37074029 572082050 /nfs/dbraw/zinc/08/20/50/572082050.db2.gz CEIGCYFPHDKARF-ZETCQYMHSA-N 1 1 197.278 1.326 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@H](C)C1(C)CC1 37073927 572081246 /nfs/dbraw/zinc/08/12/46/572081246.db2.gz RBGZXSBLGYZZGF-JGVFFNPUSA-N 1 1 185.267 1.326 10 0 ADAEMO CC[N@@H+](C)[C@](C)(CN)CC(C)C 37078502 572081254 /nfs/dbraw/zinc/08/12/54/572081254.db2.gz LLCYAEIHWNKVGU-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO CCN(C)[C@](C)(C[NH3+])CC(C)C 37078502 572081257 /nfs/dbraw/zinc/08/12/57/572081257.db2.gz LLCYAEIHWNKVGU-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO CC[C@H](CC(N)=S)[N@@H+](C)CC 37078823 572081292 /nfs/dbraw/zinc/08/12/92/572081292.db2.gz TXQYBMDRTAIWTF-SSDOTTSWSA-N 1 1 174.313 1.393 10 0 ADAEMO CCC[C@@H](N)[C@H](CC)[N@@H+](C)CC 37078684 572081318 /nfs/dbraw/zinc/08/13/18/572081318.db2.gz XTTZJQDJGDILMI-ZJUUUORDSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[C@@H]([NH3+])[C@H](CC)N(C)CC 37078684 572081320 /nfs/dbraw/zinc/08/13/20/572081320.db2.gz XTTZJQDJGDILMI-ZJUUUORDSA-N 1 1 172.316 1.844 10 0 ADAEMO CC[N@@H+](C)CCOc1ccccc1N 37078089 572082059 /nfs/dbraw/zinc/08/20/59/572082059.db2.gz KMCNDTORUIRNJU-UHFFFAOYSA-N 1 1 194.278 1.599 10 0 ADAEMO CCC(CC)[C@@H](CN)[N@@H+](C)CC 37078355 572081487 /nfs/dbraw/zinc/08/14/87/572081487.db2.gz CWQHFMUDEVIDKF-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC(CC)[C@@H](C[NH3+])N(C)CC 37078355 572081490 /nfs/dbraw/zinc/08/14/90/572081490.db2.gz CWQHFMUDEVIDKF-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CC[C@H](CN)[N@@H+](CC)C1CC1 37079542 572081574 /nfs/dbraw/zinc/08/15/74/572081574.db2.gz XSJIWQIUKNHIGM-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@H](C[NH3+])N(CC)C1CC1 37079542 572081578 /nfs/dbraw/zinc/08/15/78/572081578.db2.gz XSJIWQIUKNHIGM-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@](C)(CN)[N@@H+](C)CC 37078489 572081596 /nfs/dbraw/zinc/08/15/96/572081596.db2.gz CHCHPDXLWOPGIS-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCC[C@](C)(C[NH3+])N(C)CC 37078489 572081599 /nfs/dbraw/zinc/08/15/99/572081599.db2.gz CHCHPDXLWOPGIS-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CC[N@@H+](C)C[C@H](N)Cc1ccccc1 37079006 572082914 /nfs/dbraw/zinc/08/29/14/572082914.db2.gz CNOAWDHCIFTVFE-GFCCVEGCSA-N 1 1 192.306 1.508 10 0 ADAEMO CCC[N@@H+](CC)[C@H](CC)CN 37094607 572081762 /nfs/dbraw/zinc/08/17/62/572081762.db2.gz OPRUNGVHVOXEON-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCC[N@@H+](CC)C(C)(C)CN 37094776 572081788 /nfs/dbraw/zinc/08/17/88/572081788.db2.gz XWLXNVGNBDMJSL-UHFFFAOYSA-N 1 1 158.289 1.456 10 0 ADAEMO CCC[C@H](C)C[NH2+][C@@H](C)C(=O)OC 37073648 572081819 /nfs/dbraw/zinc/08/18/19/572081819.db2.gz UTVQRAGLVPNFEM-IUCAKERBSA-N 1 1 187.283 1.574 10 0 ADAEMO Cc1cn(C)c(NC[C@H](C)[NH+](C)C)n1 235121758 572081885 /nfs/dbraw/zinc/08/18/85/572081885.db2.gz KDSPKCGWTNFPKT-VIFPVBQESA-N 1 1 196.298 1.091 10 0 ADAEMO CC[C@@H]([NH3+])[C@@H](C)N(CC)C1CC1 37079957 572081908 /nfs/dbraw/zinc/08/19/08/572081908.db2.gz ZGSDCIVFFIXWRJ-PSASIEDQSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@@H](N)[C@@H](C)[N@H+](CC)C1CC1 37079957 572081910 /nfs/dbraw/zinc/08/19/10/572081910.db2.gz ZGSDCIVFFIXWRJ-PSASIEDQSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@@H](N)[C@@H](C)[N@@H+](CC)C1CC1 37079957 572081913 /nfs/dbraw/zinc/08/19/13/572081913.db2.gz ZGSDCIVFFIXWRJ-PSASIEDQSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[N@H+](C)C[C@@H](N)Cc1ccccc1 37079007 572082038 /nfs/dbraw/zinc/08/20/38/572082038.db2.gz CNOAWDHCIFTVFE-LBPRGKRZSA-N 1 1 192.306 1.508 10 0 ADAEMO CC[N@@H+](C)C[C@@H](N)Cc1ccccc1 37079007 572082041 /nfs/dbraw/zinc/08/20/41/572082041.db2.gz CNOAWDHCIFTVFE-LBPRGKRZSA-N 1 1 192.306 1.508 10 0 ADAEMO CC[N@H+](C[C@@H](N)C(C)(C)C)C1CC1 37079826 572082121 /nfs/dbraw/zinc/08/21/21/572082121.db2.gz JJHQBUBWZOXUSJ-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@@H+](C[C@@H](N)C(C)(C)C)C1CC1 37079826 572082124 /nfs/dbraw/zinc/08/21/24/572082124.db2.gz JJHQBUBWZOXUSJ-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@@H](C)C1(C)CC1 37073926 572082154 /nfs/dbraw/zinc/08/21/54/572082154.db2.gz RBGZXSBLGYZZGF-YUMQZZPRSA-N 1 1 185.267 1.326 10 0 ADAEMO CC[NH2+]Cc1nc(CC(C)(C)C)no1 82673386 572082222 /nfs/dbraw/zinc/08/22/22/572082222.db2.gz QIDVQOGBOVAECD-UHFFFAOYSA-N 1 1 197.282 1.768 10 0 ADAEMO CCCN(CC)c1ccc(N)[nH+]c1 37094494 572082314 /nfs/dbraw/zinc/08/23/14/572082314.db2.gz KLUOOHUKUFVRDF-UHFFFAOYSA-N 1 1 179.267 1.900 10 0 ADAEMO Cc1c[nH]c(N[C@@H](C)C[NH+](C)C)n1 235121868 572082323 /nfs/dbraw/zinc/08/23/23/572082323.db2.gz BZIKBLIGSJZEOR-QMMMGPOBSA-N 1 1 182.271 1.080 10 0 ADAEMO CCC[N@@H+](CC)[C@@H](CN)C(C)C 37094614 572082417 /nfs/dbraw/zinc/08/24/17/572082417.db2.gz AVYYYAJKDIONIF-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO CC(C)(C)Cc1n[nH]c(CCC[NH3+])n1 82675130 572082447 /nfs/dbraw/zinc/08/24/47/572082447.db2.gz TUJMKAFKFSBXQU-UHFFFAOYSA-N 1 1 196.298 1.285 10 0 ADAEMO CC[N@H+](C1CC1)[C@H](CN)C(C)C 37079550 572082448 /nfs/dbraw/zinc/08/24/48/572082448.db2.gz FUYOLUMIERQJDH-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)(C)Cc1nnc(CCC[NH3+])[nH]1 82675130 572082450 /nfs/dbraw/zinc/08/24/50/572082450.db2.gz TUJMKAFKFSBXQU-UHFFFAOYSA-N 1 1 196.298 1.285 10 0 ADAEMO CCN(C1CC1)[C@H](C[NH3+])C(C)C 37079550 572082452 /nfs/dbraw/zinc/08/24/52/572082452.db2.gz FUYOLUMIERQJDH-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@@H]([NH3+])[C@H](C)N(CC)C1CC1 37079959 572082488 /nfs/dbraw/zinc/08/24/88/572082488.db2.gz ZGSDCIVFFIXWRJ-WCBMZHEXSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@@H](N)[C@H](C)[N@H+](CC)C1CC1 37079959 572082490 /nfs/dbraw/zinc/08/24/90/572082490.db2.gz ZGSDCIVFFIXWRJ-WCBMZHEXSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@@H](N)[C@H](C)[N@@H+](CC)C1CC1 37079959 572082492 /nfs/dbraw/zinc/08/24/92/572082492.db2.gz ZGSDCIVFFIXWRJ-WCBMZHEXSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[N@H+](C)[C@H](CN)Cc1ccccc1 37078365 572082523 /nfs/dbraw/zinc/08/25/23/572082523.db2.gz DSXACASTGFHKNW-LBPRGKRZSA-N 1 1 192.306 1.508 10 0 ADAEMO CC[N@@H+](C)[C@H](CN)Cc1ccccc1 37078365 572082525 /nfs/dbraw/zinc/08/25/25/572082525.db2.gz DSXACASTGFHKNW-LBPRGKRZSA-N 1 1 192.306 1.508 10 0 ADAEMO CCC[C@](C)(CN)[N@@H+](CC)C1CC1 37079715 572082593 /nfs/dbraw/zinc/08/25/93/572082593.db2.gz KUIQDSCJADRKGC-LLVKDONJSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@](C)(C[NH3+])N(CC)C1CC1 37079715 572082594 /nfs/dbraw/zinc/08/25/94/572082594.db2.gz KUIQDSCJADRKGC-LLVKDONJSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[N@@H+](CC)[C@H](CN)C(C)C 37094615 572082629 /nfs/dbraw/zinc/08/26/29/572082629.db2.gz AVYYYAJKDIONIF-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CCCCC[C@@H](CN)[N@@H+](C)CC 37078465 572082654 /nfs/dbraw/zinc/08/26/54/572082654.db2.gz NVYVEVBLGWUXEA-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO 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184.327 1.987 10 0 ADAEMO CCC[C@H](N)[C@H](CC)[N@@H+](C)C1CC1 37080987 572087427 /nfs/dbraw/zinc/08/74/27/572087427.db2.gz NPIOVXDFSQIBIN-QWRGUYRKSA-N 1 1 184.327 1.987 10 0 ADAEMO CCCCCN1CC(C[NH3+])C1 84987685 572087430 /nfs/dbraw/zinc/08/74/30/572087430.db2.gz GLABJPFRZVHKBC-UHFFFAOYSA-N 1 1 156.273 1.067 10 0 ADAEMO CC[C@@H](CC(N)=S)[N@@H+](C)C1CC1 37081119 572087431 /nfs/dbraw/zinc/08/74/31/572087431.db2.gz DGWOMCKZZCEVDX-ZETCQYMHSA-N 1 1 186.324 1.535 10 0 ADAEMO CC[N@@H+](C(C)C)[C@](C)(CC)CN 37081962 572087466 /nfs/dbraw/zinc/08/74/66/572087466.db2.gz CFQJZCZYUFFBRR-SNVBAGLBSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCCC[C@@H](CN)[N@H+](C)C1CC1 37080783 572087471 /nfs/dbraw/zinc/08/74/71/572087471.db2.gz VTZYUGKKMAAJTK-NSHDSACASA-N 1 1 184.327 1.988 10 0 ADAEMO CCCCC[C@@H](CN)[N@@H+](C)C1CC1 37080783 572087474 /nfs/dbraw/zinc/08/74/74/572087474.db2.gz VTZYUGKKMAAJTK-NSHDSACASA-N 1 1 184.327 1.988 10 0 ADAEMO CC[C@H]1CCCC[N@H+]1CC[C@@H](C)[NH3+] 37083187 572087481 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184.327 1.987 10 0 ADAEMO CCC[N@@H+](CC)C[C@@H](C)C(N)=S 37095054 572089800 /nfs/dbraw/zinc/08/98/00/572089800.db2.gz BJPABLDSDMOEAO-MRVPVSSYSA-N 1 1 188.340 1.641 10 0 ADAEMO C[C@@H](N)[C@@](C)([NH3+])c1ccccc1 34540280 572089889 /nfs/dbraw/zinc/08/98/89/572089889.db2.gz KQQQSVCIYVATTK-PSASIEDQSA-N 1 1 164.252 1.208 10 0 ADAEMO CCC[N@H+](C1CC1)[C@H](C)CN 37096850 572089914 /nfs/dbraw/zinc/08/99/14/572089914.db2.gz NHLJXGSNLKBJJP-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CCCN(C1CC1)[C@H](C)C[NH3+] 37096850 572089916 /nfs/dbraw/zinc/08/99/16/572089916.db2.gz NHLJXGSNLKBJJP-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[N@@H+](CC)Cc1csc(N)n1 37095084 572089972 /nfs/dbraw/zinc/08/99/72/572089972.db2.gz PHVREXDGSWBYGV-UHFFFAOYSA-N 1 1 199.323 1.957 10 0 ADAEMO CCC[N@@H+](CC)[C@H]1CCC[C@@H]1N 37094869 572089979 /nfs/dbraw/zinc/08/99/79/572089979.db2.gz JDHBYIMULQXGHL-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCCN(CC)[C@H]1CCC[C@@H]1[NH3+] 37094869 572089980 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CCC[N@@H+](C(C)C)C1CCNCC1 37096297 572090417 /nfs/dbraw/zinc/09/04/17/572090417.db2.gz GLHCAIXPVQWBSO-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CC[C@@H](C)[NH3+])C(C)C 37096014 572090432 /nfs/dbraw/zinc/09/04/32/572090432.db2.gz RELNWUAGBOCWMZ-SNVBAGLBSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[N@@H+](CC)[C@H](C)[C@H](N)CC 37095001 572090678 /nfs/dbraw/zinc/09/06/78/572090678.db2.gz BRZCKFYUZRLNKF-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCN(CC)[C@H](C)[C@H]([NH3+])CC 37095001 572090680 /nfs/dbraw/zinc/09/06/80/572090680.db2.gz BRZCKFYUZRLNKF-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[N@@H+](CC)C[C@H](N)C(C)C 37095216 572090758 /nfs/dbraw/zinc/09/07/58/572090758.db2.gz KJDCRFYDZIPFGK-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO CCCN(CC)C[C@H]([NH3+])C(C)C 37095216 572090761 /nfs/dbraw/zinc/09/07/61/572090761.db2.gz KJDCRFYDZIPFGK-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[N@H+](C1CC1)[C@@H](CN)C(C)C 37096861 572090816 /nfs/dbraw/zinc/09/08/16/572090816.db2.gz 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/nfs/dbraw/zinc/09/12/33/572091233.db2.gz TYCMXCYQSIXTIB-LLVKDONJSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[N@@H+](C(C)C)[C@H](CC)CN 37095743 572091275 /nfs/dbraw/zinc/09/12/75/572091275.db2.gz IOZBITXOEDGJJQ-SNVBAGLBSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[N@@H+](CC)CCC(C)=O 37095333 572091317 /nfs/dbraw/zinc/09/13/17/572091317.db2.gz ACSXSEUZKKGHGU-UHFFFAOYSA-N 1 1 157.257 1.697 10 0 ADAEMO CCC[N@@H+](CC)C[C@H](C)C(N)=S 37095055 572091354 /nfs/dbraw/zinc/09/13/54/572091354.db2.gz BJPABLDSDMOEAO-QMMMGPOBSA-N 1 1 188.340 1.641 10 0 ADAEMO CCC[N@@H+](C(C)C)C(C)(C)CN 37095892 572091369 /nfs/dbraw/zinc/09/13/69/572091369.db2.gz LTQNHQXRXCJOSE-UHFFFAOYSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[N@@H+](C1CC1)[C@@](C)(CC)CN 37097029 572091438 /nfs/dbraw/zinc/09/14/38/572091438.db2.gz TYCMXCYQSIXTIB-NSHDSACASA-N 1 1 184.327 1.988 10 0 ADAEMO CC(C)(O)CC[N@@H+]1CCSC1 687821700 572091439 /nfs/dbraw/zinc/09/14/39/572091439.db2.gz FLFKXGUWQYTUOE-UHFFFAOYSA-N 1 1 175.297 1.154 10 0 ADAEMO CC(C)(O)CC[N@H+]1CCSC1 687821700 572091441 /nfs/dbraw/zinc/09/14/41/572091441.db2.gz FLFKXGUWQYTUOE-UHFFFAOYSA-N 1 1 175.297 1.154 10 0 ADAEMO CCC[N@@H+](C1CC1)C(C)(C)CN 37097003 572091484 /nfs/dbraw/zinc/09/14/84/572091484.db2.gz DEWVYPRCOHANJN-UHFFFAOYSA-N 1 1 170.300 1.598 10 0 ADAEMO CCCN(C1CC1)C(C)(C)C[NH3+] 37097003 572091487 /nfs/dbraw/zinc/09/14/87/572091487.db2.gz DEWVYPRCOHANJN-UHFFFAOYSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[N@@H+](CC)CCCC(N)=S 37095072 572091567 /nfs/dbraw/zinc/09/15/67/572091567.db2.gz HBTRNPHWSOAUDU-UHFFFAOYSA-N 1 1 188.340 1.785 10 0 ADAEMO CCC[N@@H+](C(C)C)[C@@H](CC)CN 37095742 572091597 /nfs/dbraw/zinc/09/15/97/572091597.db2.gz IOZBITXOEDGJJQ-JTQLQIEISA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[N@@H+](CC(N)=S)C(C)C 37096199 572091625 /nfs/dbraw/zinc/09/16/25/572091625.db2.gz XDAHLIGETRLCKK-UHFFFAOYSA-N 1 1 174.313 1.393 10 0 ADAEMO CCC[N@H+](C1CC1)[C@@H](CC)CN 37096853 572091691 /nfs/dbraw/zinc/09/16/91/572091691.db2.gz JAYLEGVUVWWTJK-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CCCN(C1CC1)[C@@H](CC)C[NH3+] 37096853 572091694 /nfs/dbraw/zinc/09/16/94/572091694.db2.gz JAYLEGVUVWWTJK-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[N@@H+](C(C)C)[C@@H](C)CN 37095738 572091711 /nfs/dbraw/zinc/09/17/11/572091711.db2.gz TWFLENZOSOOUDU-VIFPVBQESA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[C@H](CN)[N@@H+](CCC)C1CC1 37096852 572091765 /nfs/dbraw/zinc/09/17/65/572091765.db2.gz XBUWVUXAXLFEQQ-LLVKDONJSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H](C[NH3+])N(CCC)C1CC1 37096852 572091767 /nfs/dbraw/zinc/09/17/67/572091767.db2.gz XBUWVUXAXLFEQQ-LLVKDONJSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CC)CC(N)=[NH2+] 37098479 572092288 /nfs/dbraw/zinc/09/22/88/572092288.db2.gz NUGYWIKPSGBRFW-QMMMGPOBSA-N 1 1 171.288 1.433 10 0 ADAEMO CC(C)C[N@@H+](C)[C@H](CN)C(C)C 37108151 572091944 /nfs/dbraw/zinc/09/19/44/572091944.db2.gz YCVUVOHTZMTCHK-SNVBAGLBSA-N 1 1 172.316 1.558 10 0 ADAEMO CC[C@@H](CN)[N@H+](C)[C@H](C)CC 37109654 572092125 /nfs/dbraw/zinc/09/21/25/572092125.db2.gz JYJRUNKKKWFMEP-BDAKNGLRSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[N@@H+](C)[C@H](CC)CC(N)=S 37098406 572092147 /nfs/dbraw/zinc/09/21/47/572092147.db2.gz GSQNTWQYHVUSSN-MRVPVSSYSA-N 1 1 188.340 1.783 10 0 ADAEMO CCC(=O)[C@@H](C)[N@@H+](CCCO)C1CC1 404360649 572092175 /nfs/dbraw/zinc/09/21/75/572092175.db2.gz JPBKTNZSBZRVNV-SECBINFHSA-N 1 1 199.294 1.201 10 0 ADAEMO CCC[N@@H+](C)[C@](C)(CN)CCC 37098106 572092214 /nfs/dbraw/zinc/09/22/14/572092214.db2.gz SGMZJNLTFFCGHM-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CC(C)C[C@H](CN)[N@@H+](C)CC(C)C 37108153 572092459 /nfs/dbraw/zinc/09/24/59/572092459.db2.gz BEIQCRNXUDHPFI-LLVKDONJSA-N 1 1 186.343 1.948 10 0 ADAEMO CCC[N@@H+](CCC(N)=S)C1CC1 37097332 572092587 /nfs/dbraw/zinc/09/25/87/572092587.db2.gz DRZPOSCKWMMFAO-UHFFFAOYSA-N 1 1 186.324 1.537 10 0 ADAEMO CCC[N@@H+](C)[C@](C)(CC)CN 37098129 572092516 /nfs/dbraw/zinc/09/25/16/572092516.db2.gz GCDMLHWCLOVZMZ-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CC(C)C[C@@H](CN)[N@@H+](C)CC(C)C 37108152 572092578 /nfs/dbraw/zinc/09/25/78/572092578.db2.gz BEIQCRNXUDHPFI-NSHDSACASA-N 1 1 186.343 1.948 10 0 ADAEMO CCC[N@@H+](CCC(N)=[NH2+])C1CC1 37097432 572092746 /nfs/dbraw/zinc/09/27/46/572092746.db2.gz JAMXLWDPEYCVRD-UHFFFAOYSA-N 1 1 169.272 1.187 10 0 ADAEMO NC(=[NH2+])c1cc2cc(F)c(F)cc2o1 34556830 572092697 /nfs/dbraw/zinc/09/26/97/572092697.db2.gz KGVGQKSHFFBAPW-UHFFFAOYSA-N 1 1 196.156 1.995 10 0 ADAEMO CC[C@](C)(CN)[N@@H+](C)CC(C)C 37108291 572092889 /nfs/dbraw/zinc/09/28/89/572092889.db2.gz VQZFTJVNVANOBX-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CC[C@@H](CC[NH3+])[N@@H+](C)CC(C)C 37099085 572092916 /nfs/dbraw/zinc/09/29/16/572092916.db2.gz XVCCOROHQREFAF-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO C[C@H](N)[C@H]([NH3+])c1ccccc1 34545637 572092917 /nfs/dbraw/zinc/09/29/17/572092917.db2.gz PRCXGQJVEKZKQR-CBAPKCEASA-N 1 1 150.225 1.034 10 0 ADAEMO CCC[N@H+](C1CC1)[C@@H](CC)CC(N)=[NH2+] 37097398 572092988 /nfs/dbraw/zinc/09/29/88/572092988.db2.gz SVYSBOTVYNAEPE-VIFPVBQESA-N 1 1 197.326 1.965 10 0 ADAEMO CCC[N@@H+](C)[C@]1(CN)CCSC1 37098104 572092996 /nfs/dbraw/zinc/09/29/96/572092996.db2.gz CDJMSVWYKCLNBL-VIFPVBQESA-N 1 1 188.340 1.163 10 0 ADAEMO CCCN(C)[C@]1(C[NH3+])CCSC1 37098104 572092999 /nfs/dbraw/zinc/09/29/99/572092999.db2.gz CDJMSVWYKCLNBL-VIFPVBQESA-N 1 1 188.340 1.163 10 0 ADAEMO CCC[N@@H+](C)[C@H](CN)C(C)C 37097987 572093039 /nfs/dbraw/zinc/09/30/39/572093039.db2.gz YUISCBJTMHBGFJ-SECBINFHSA-N 1 1 158.289 1.312 10 0 ADAEMO CC[C@H](CC[NH3+])[N@@H+](C)CC(C)C 37099086 572093151 /nfs/dbraw/zinc/09/31/51/572093151.db2.gz XVCCOROHQREFAF-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[C@H](CN)[N@@H+](C)CCC 37097977 572093215 /nfs/dbraw/zinc/09/32/15/572093215.db2.gz WIBUYJJKBWVAGV-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCC[C@H](C[NH3+])N(C)CCC 37097977 572093218 /nfs/dbraw/zinc/09/32/18/572093218.db2.gz WIBUYJJKBWVAGV-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCC[N@@H+](C)[C@H](C)[C@H](N)CC 37098360 572093227 /nfs/dbraw/zinc/09/32/27/572093227.db2.gz OGOWAJKBFYGJQP-RKDXNWHRSA-N 1 1 158.289 1.454 10 0 ADAEMO CCCN(C)[C@H](C)[C@H]([NH3+])CC 37098360 572093230 /nfs/dbraw/zinc/09/32/30/572093230.db2.gz OGOWAJKBFYGJQP-RKDXNWHRSA-N 1 1 158.289 1.454 10 0 ADAEMO CC[C@H]1CC[C@@H](C)[N@H+]1C1(CN)CC1 234044430 572093268 /nfs/dbraw/zinc/09/32/68/572093268.db2.gz PSFOFUMYMTZVRL-ZJUUUORDSA-N 1 1 182.311 1.741 10 0 ADAEMO CCC[N@@H+](C)[C@@]1(CN)CCSC1 37098105 572093371 /nfs/dbraw/zinc/09/33/71/572093371.db2.gz CDJMSVWYKCLNBL-SECBINFHSA-N 1 1 188.340 1.163 10 0 ADAEMO CCCN(C)[C@@]1(C[NH3+])CCSC1 37098105 572093375 /nfs/dbraw/zinc/09/33/75/572093375.db2.gz CDJMSVWYKCLNBL-SECBINFHSA-N 1 1 188.340 1.163 10 0 ADAEMO CCC[N@@H+](C)CC[C@H]1CCCC[NH2+]1 37098500 572093390 /nfs/dbraw/zinc/09/33/90/572093390.db2.gz GFPWXSAXVYVCHW-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CN)CC(C)C 37097989 572093403 /nfs/dbraw/zinc/09/34/03/572093403.db2.gz GLJLJUZJYNOUGW-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CCCN(C)[C@@H](C[NH3+])CC(C)C 37097989 572093407 /nfs/dbraw/zinc/09/34/07/572093407.db2.gz GLJLJUZJYNOUGW-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[N@@H+](C)CCCC(N)=S 37098427 572093490 /nfs/dbraw/zinc/09/34/90/572093490.db2.gz VCOLXBFBYZKTDI-UHFFFAOYSA-N 1 1 174.313 1.395 10 0 ADAEMO NC(=[NH2+])c1cc2cc(F)ccc2o1 34556834 572093543 /nfs/dbraw/zinc/09/35/43/572093543.db2.gz UIYZSMYTPGGFND-UHFFFAOYSA-N 1 1 178.166 1.856 10 0 ADAEMO CC[C@H](C)[C@H](N)C[N@@H+](C)CC(C)C 37108748 572093548 /nfs/dbraw/zinc/09/35/48/572093548.db2.gz WKKJCOGTUXKTIG-WDEREUQCSA-N 1 1 186.343 1.948 10 0 ADAEMO CC[C@H](C)[C@H]([NH3+])CN(C)CC(C)C 37108748 572093552 /nfs/dbraw/zinc/09/35/52/572093552.db2.gz WKKJCOGTUXKTIG-WDEREUQCSA-N 1 1 186.343 1.948 10 0 ADAEMO CCC[C@H](CN)[N@@H+](C)CC(C)C 37108141 572093560 /nfs/dbraw/zinc/09/35/60/572093560.db2.gz DBMPDFHODDVJHL-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[N@@H+](C)C[C@H](C)C(N)=S 37098408 572093572 /nfs/dbraw/zinc/09/35/72/572093572.db2.gz BAIKQKJYTOCBGN-ZETCQYMHSA-N 1 1 174.313 1.250 10 0 ADAEMO N[C@@H]1CCCC[N@@H+](CC2CC2)C1 34556809 572093600 /nfs/dbraw/zinc/09/36/00/572093600.db2.gz ACVDXUPJUQMVTQ-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO [NH3+][C@@H]1CCCCN(CC2CC2)C1 34556809 572093602 /nfs/dbraw/zinc/09/36/02/572093602.db2.gz ACVDXUPJUQMVTQ-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO CCC[N@@H+](CC(N)=S)C1CC1 37097333 572093616 /nfs/dbraw/zinc/09/36/16/572093616.db2.gz PELUHOYVMNRVJO-UHFFFAOYSA-N 1 1 172.297 1.147 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CC)CC[NH3+] 37097910 572093665 /nfs/dbraw/zinc/09/36/65/572093665.db2.gz XKXWDXWQBVYISC-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CC[C@H](C)N[C@@]12CCC[C@H]1[NH2+]CC2 711711945 572093690 /nfs/dbraw/zinc/09/36/90/572093690.db2.gz DPWGDTSTIXUBIG-HBNTYKKESA-N 1 1 182.311 1.659 10 0 ADAEMO CCC[N@@H+](C)[C@H](CC)CC[NH3+] 37097911 572093745 /nfs/dbraw/zinc/09/37/45/572093745.db2.gz XKXWDXWQBVYISC-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CC[C@@H](C)[C@@H]([NH2+]CC1CC1)C(=O)OC 37103265 572093779 /nfs/dbraw/zinc/09/37/79/572093779.db2.gz NYXZJUDBKPZPHP-PSASIEDQSA-N 1 1 199.294 1.574 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CC)CC(N)=S 37098405 572093797 /nfs/dbraw/zinc/09/37/97/572093797.db2.gz GSQNTWQYHVUSSN-QMMMGPOBSA-N 1 1 188.340 1.783 10 0 ADAEMO CC(C)C[N@@H+](C)C1(CN)CCCC1 37108284 572093817 /nfs/dbraw/zinc/09/38/17/572093817.db2.gz ZSWLKIHYHPAVSR-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[N@@H+](C[C@H]([NH3+])C(C)C)C1CC1 37097473 572093841 /nfs/dbraw/zinc/09/38/41/572093841.db2.gz YFXUJCGDCKUJNP-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CCCN(C[C@H]([NH3+])C(C)C)C1CC1 37097473 572093845 /nfs/dbraw/zinc/09/38/45/572093845.db2.gz YFXUJCGDCKUJNP-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[N@H+](C[C@H](N)C(C)C)C1CC1 37097473 572093848 /nfs/dbraw/zinc/09/38/48/572093848.db2.gz YFXUJCGDCKUJNP-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[N@@H+](C[C@H](N)C(C)C)C1CC1 37097473 572093850 /nfs/dbraw/zinc/09/38/50/572093850.db2.gz YFXUJCGDCKUJNP-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@H](CN)[N@@H+](C)CC(C)C 37108142 572093919 /nfs/dbraw/zinc/09/39/19/572093919.db2.gz NBJSNMJTIOGVNF-VIFPVBQESA-N 1 1 158.289 1.312 10 0 ADAEMO CCC[C@H](CN)[N@@H+](C)[C@@H](C)CC 37109653 572093956 /nfs/dbraw/zinc/09/39/56/572093956.db2.gz QKGOHANUMDRULX-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[N@@H+](C)C[C@@H](C)C(N)=S 37098407 572093965 /nfs/dbraw/zinc/09/39/65/572093965.db2.gz BAIKQKJYTOCBGN-SSDOTTSWSA-N 1 1 174.313 1.250 10 0 ADAEMO CC(C)C[N@@H+](C)C[C@H](C)C[NH3+] 37099088 572094897 /nfs/dbraw/zinc/09/48/97/572094897.db2.gz GNLRNIWQXRHLBW-SECBINFHSA-N 1 1 158.289 1.169 10 0 ADAEMO CC(C)C[N@@H+](C)C[C@@H](C)C[NH3+] 37099087 572094008 /nfs/dbraw/zinc/09/40/08/572094008.db2.gz GNLRNIWQXRHLBW-VIFPVBQESA-N 1 1 158.289 1.169 10 0 ADAEMO CCC[N@H+](C)Cc1csc(N)n1 37098441 572093897 /nfs/dbraw/zinc/09/38/97/572093897.db2.gz KYKJUQJZYYASMK-UHFFFAOYSA-N 1 1 185.296 1.567 10 0 ADAEMO CCC[N@@H+](C)Cc1csc(N)n1 37098441 572093902 /nfs/dbraw/zinc/09/39/02/572093902.db2.gz KYKJUQJZYYASMK-UHFFFAOYSA-N 1 1 185.296 1.567 10 0 ADAEMO CC(C)C[N@@H+](C)[C@@H](CN)C(C)C 37108150 572093909 /nfs/dbraw/zinc/09/39/09/572093909.db2.gz YCVUVOHTZMTCHK-JTQLQIEISA-N 1 1 172.316 1.558 10 0 ADAEMO CCC[N@@H+](C)[C@@](C)(CC)CN 37098128 572094108 /nfs/dbraw/zinc/09/41/08/572094108.db2.gz GCDMLHWCLOVZMZ-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CCC[N@@H+](C[C@@H]([NH3+])C(C)C)C1CC1 37097474 572094191 /nfs/dbraw/zinc/09/41/91/572094191.db2.gz YFXUJCGDCKUJNP-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CCCN(C[C@@H]([NH3+])C(C)C)C1CC1 37097474 572094194 /nfs/dbraw/zinc/09/41/94/572094194.db2.gz YFXUJCGDCKUJNP-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[N@H+](C[C@@H](N)C(C)C)C1CC1 37097474 572094196 /nfs/dbraw/zinc/09/41/96/572094196.db2.gz YFXUJCGDCKUJNP-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[N@@H+](C[C@@H](N)C(C)C)C1CC1 37097474 572094198 /nfs/dbraw/zinc/09/41/98/572094198.db2.gz YFXUJCGDCKUJNP-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CN)C(C)C 37097986 572094226 /nfs/dbraw/zinc/09/42/26/572094226.db2.gz YUISCBJTMHBGFJ-VIFPVBQESA-N 1 1 158.289 1.312 10 0 ADAEMO CC[C@@](C)(CN)[N@@H+](C)CC(C)C 37108290 572094322 /nfs/dbraw/zinc/09/43/22/572094322.db2.gz VQZFTJVNVANOBX-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO CC[C@H](C)[C@@H](N)C[N@@H+](C)CC(C)C 37108753 572094355 /nfs/dbraw/zinc/09/43/55/572094355.db2.gz WKKJCOGTUXKTIG-QWRGUYRKSA-N 1 1 186.343 1.948 10 0 ADAEMO CC[C@H](C)[C@@H]([NH3+])CN(C)CC(C)C 37108753 572094357 /nfs/dbraw/zinc/09/43/57/572094357.db2.gz WKKJCOGTUXKTIG-QWRGUYRKSA-N 1 1 186.343 1.948 10 0 ADAEMO CCC[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 37098499 572094362 /nfs/dbraw/zinc/09/43/62/572094362.db2.gz GFPWXSAXVYVCHW-NSHDSACASA-N 1 1 184.327 1.860 10 0 ADAEMO CCC[N@@H+](C)C(CC)(CC)CN 37098112 572094421 /nfs/dbraw/zinc/09/44/21/572094421.db2.gz LCIACKZTEYYCJT-UHFFFAOYSA-N 1 1 172.316 1.846 10 0 ADAEMO CCC[N@@H+](C)C1(CN)CCCC1 37098122 572094456 /nfs/dbraw/zinc/09/44/56/572094456.db2.gz HYCZSSSILUDIBD-UHFFFAOYSA-N 1 1 170.300 1.600 10 0 ADAEMO CCC[N@@H+](CCC(C)=O)C1CC1 37097583 572094542 /nfs/dbraw/zinc/09/45/42/572094542.db2.gz DSXXFEOPOYVIIG-UHFFFAOYSA-N 1 1 169.268 1.840 10 0 ADAEMO CC[C@@H](C)[C@H]([NH2+]CC1CC1)C(=O)OC 37103263 572094548 /nfs/dbraw/zinc/09/45/48/572094548.db2.gz NYXZJUDBKPZPHP-SCZZXKLOSA-N 1 1 199.294 1.574 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H](CC)CN 37109655 572094574 /nfs/dbraw/zinc/09/45/74/572094574.db2.gz JYJRUNKKKWFMEP-IUCAKERBSA-N 1 1 158.289 1.454 10 0 ADAEMO CC(=O)CC[N@H+](C)CC(C)C 37108935 572094600 /nfs/dbraw/zinc/09/46/00/572094600.db2.gz VWAUCFGBBVEQPR-UHFFFAOYSA-N 1 1 157.257 1.553 10 0 ADAEMO CC(C)C[N@@H+](C)C[C@@H](N)C(C)C 37108759 572094631 /nfs/dbraw/zinc/09/46/31/572094631.db2.gz IZXIIDFHPMLBAL-SNVBAGLBSA-N 1 1 172.316 1.558 10 0 ADAEMO CC(C)CN(C)C[C@@H]([NH3+])C(C)C 37108759 572094633 /nfs/dbraw/zinc/09/46/33/572094633.db2.gz IZXIIDFHPMLBAL-SNVBAGLBSA-N 1 1 172.316 1.558 10 0 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170.300 1.467 10 0 ADAEMO CCOC(=O)[C@H]([NH2+]C)[C@@H]1CC=CCC1 37458935 572131590 /nfs/dbraw/zinc/13/15/90/572131590.db2.gz VPKNAIYLKZGDSZ-NXEZZACHSA-N 1 1 197.278 1.494 10 0 ADAEMO C[C@@H]1COC[C@H](c2ccncc2)[NH2+]1 71497496 572131612 /nfs/dbraw/zinc/13/16/12/572131612.db2.gz QWBBGRVJEQQLTM-PSASIEDQSA-N 1 1 178.235 1.131 10 0 ADAEMO CC[C@@H](CC1CC1)[N@@H+]1CCC(=O)C1 69666435 572131843 /nfs/dbraw/zinc/13/18/43/572131843.db2.gz JPVSSVUFQQAWMB-JTQLQIEISA-N 1 1 181.279 1.840 10 0 ADAEMO CC[C@@H](CC1CC1)[N@H+]1CCC(=O)C1 69666435 572131847 /nfs/dbraw/zinc/13/18/47/572131847.db2.gz JPVSSVUFQQAWMB-JTQLQIEISA-N 1 1 181.279 1.840 10 0 ADAEMO CCC[NH2+][C@](C)(CC)C(=O)OCC 37459288 572131908 /nfs/dbraw/zinc/13/19/08/572131908.db2.gz YONZWHFEJUHEDY-SNVBAGLBSA-N 1 1 187.283 1.718 10 0 ADAEMO CCOC(=O)[C@@H]([NH2+]C)[C@H]1CC=CCC1 37458934 572132305 /nfs/dbraw/zinc/13/23/05/572132305.db2.gz VPKNAIYLKZGDSZ-UWVGGRQHSA-N 1 1 197.278 1.494 10 0 ADAEMO C[C@@H]1CC(OC(=O)[C@@H](C)[NH3+])C[C@H](C)C1 82834759 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VVQUWSHKYVHZQK-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@H](N)[C@@H](c1ccco1)[NH+]1CCCC1 43334301 572132799 /nfs/dbraw/zinc/13/27/99/572132799.db2.gz XOSGLXCTPCVESS-ONGXEEELSA-N 1 1 194.278 1.764 10 0 ADAEMO C[C@H]1CC[C@]([NH3+])(CN)C[C@@H]1C 82837918 572132813 /nfs/dbraw/zinc/13/28/13/572132813.db2.gz FXZUJSBSNLCVFD-XHNCKOQMSA-N 1 1 156.273 1.099 10 0 ADAEMO COC(=O)C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 82835778 572132882 /nfs/dbraw/zinc/13/28/82/572132882.db2.gz CGGOVSBQKLBZRK-UTLUCORTSA-N 1 1 199.294 1.574 10 0 ADAEMO COC(=O)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 82835781 572132909 /nfs/dbraw/zinc/13/29/09/572132909.db2.gz CGGOVSBQKLBZRK-KXUCPTDWSA-N 1 1 199.294 1.574 10 0 ADAEMO CCC[C@H](C)[N@H+]1CCNC[C@H]1C1CC1 300350262 572133070 /nfs/dbraw/zinc/13/30/70/572133070.db2.gz UQXKUUJKXXCWKH-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H](CC1CC1)[NH2+][C@H](C)C(=O)OC 69672882 572133295 /nfs/dbraw/zinc/13/32/95/572133295.db2.gz BVTYNHWHUGTFEX-PSASIEDQSA-N 1 1 199.294 1.716 10 0 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1 1 182.271 1.210 10 0 ADAEMO CCC[C@H](C)[N@H+]1CC[C@H](C)[C@H]1CN 300350897 572135535 /nfs/dbraw/zinc/13/55/35/572135535.db2.gz YTFYXLJYJXFAKY-GARJFASQSA-N 1 1 184.327 1.844 10 0 ADAEMO C[NH2+]Cc1nnc([C@@H](C)C(C)C)o1 69691219 572135650 /nfs/dbraw/zinc/13/56/50/572135650.db2.gz OWVXDKXJVCXDPY-ZETCQYMHSA-N 1 1 183.255 1.549 10 0 ADAEMO CCC[C@H](C)[N@H+]1CC[C@H](C)[C@H]1CO 300350884 572135676 /nfs/dbraw/zinc/13/56/76/572135676.db2.gz YRJQSKXHKHHHKD-GARJFASQSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[NH2+]Cc1nnc([C@H](C)C(C)C)o1 69691224 572135817 /nfs/dbraw/zinc/13/58/17/572135817.db2.gz AXIACCJGCOZNTB-MRVPVSSYSA-N 1 1 197.282 1.939 10 0 ADAEMO C[C@H]1CC[N@@H+](CCC2CC2)[C@@H](CN)C1 235637357 572136000 /nfs/dbraw/zinc/13/60/00/572136000.db2.gz BKXWLQZYNVDVDY-CMPLNLGQSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1CCN(CCC2CC2)[C@@H](C[NH3+])C1 235637357 572136001 /nfs/dbraw/zinc/13/60/01/572136001.db2.gz BKXWLQZYNVDVDY-CMPLNLGQSA-N 1 1 196.338 1.846 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](N)CC 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WECIZVYYSMGGNY-UHFFFAOYSA-N 1 1 190.250 1.239 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](N)CC 300378114 572136660 /nfs/dbraw/zinc/13/66/60/572136660.db2.gz GERHUZHCTSAOJU-BBBLOLIVSA-N 1 1 170.300 1.502 10 0 ADAEMO CC[N@@H+]1CC[C@@H](N)[C@H]1C1CCCC1 250231052 572136672 /nfs/dbraw/zinc/13/66/72/572136672.db2.gz GECBTGPFURZKBM-GHMZBOCLSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[N@H+]1CC[C@@H](N)[C@H]1C1CCCC1 250231052 572136675 /nfs/dbraw/zinc/13/66/75/572136675.db2.gz GECBTGPFURZKBM-GHMZBOCLSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@H](C[N@@H+](C)Cc1ccc[nH]1)OC 687822153 572136723 /nfs/dbraw/zinc/13/67/23/572136723.db2.gz YXNXWDPYQVVTSP-NSHDSACASA-N 1 1 196.294 1.872 10 0 ADAEMO CCC[C@@H](C)[N@@H+]1CC[C@](C)(CN)C1 300352447 572136758 /nfs/dbraw/zinc/13/67/58/572136758.db2.gz LSZASCVEFMCOTR-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CC[C@](C)(CN)C1 300352447 572136760 /nfs/dbraw/zinc/13/67/60/572136760.db2.gz LSZASCVEFMCOTR-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO 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/nfs/dbraw/zinc/13/76/38/572137638.db2.gz GECBTGPFURZKBM-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO CCC[C@H](CC)[N@@H+]1C[C@@H](N)[C@H](C)C1 300352589 572137656 /nfs/dbraw/zinc/13/76/56/572137656.db2.gz NEFZIOWFPCBGHN-OUAUKWLOSA-N 1 1 184.327 1.844 10 0 ADAEMO CCCCOC(=O)C[NH2+]CC1CCC1 37473261 572137946 /nfs/dbraw/zinc/13/79/46/572137946.db2.gz ALUWCZNNAOZGDL-UHFFFAOYSA-N 1 1 199.294 1.719 10 0 ADAEMO CC[NH2+]Cc1nnc([C@@H](C)C(C)C)o1 69691222 572138092 /nfs/dbraw/zinc/13/80/92/572138092.db2.gz AXIACCJGCOZNTB-QMMMGPOBSA-N 1 1 197.282 1.939 10 0 ADAEMO CC(C)(C)OC(=O)C[NH2+]CC1CCC1 37473260 572138115 /nfs/dbraw/zinc/13/81/15/572138115.db2.gz REHGGKRXDAECCN-UHFFFAOYSA-N 1 1 199.294 1.718 10 0 ADAEMO CCC[C@H](C)[N@@H+]1CC[C@](C)(CN)C1 300352448 572138275 /nfs/dbraw/zinc/13/82/75/572138275.db2.gz LSZASCVEFMCOTR-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H](C)[N@H+]1CC[C@](C)(CN)C1 300352448 572138278 /nfs/dbraw/zinc/13/82/78/572138278.db2.gz LSZASCVEFMCOTR-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](N)CC 300378115 572138336 /nfs/dbraw/zinc/13/83/36/572138336.db2.gz GERHUZHCTSAOJU-OPRDCNLKSA-N 1 1 170.300 1.502 10 0 ADAEMO CC[C@H]1C[N@@H+](C)CCCN1C(C)=[NH2+] 234062405 572138639 /nfs/dbraw/zinc/13/86/39/572138639.db2.gz CDKLMKCEJFPNEJ-JTQLQIEISA-N 1 1 183.299 1.400 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@](C)(N)CC 300379363 572138659 /nfs/dbraw/zinc/13/86/59/572138659.db2.gz HFGTVMWSLXYXFW-OUAUKWLOSA-N 1 1 184.327 1.892 10 0 ADAEMO CC[C@@H]1C[C@@H]1NC[C@]1(C)CCC[NH2+]1 300379373 572138690 /nfs/dbraw/zinc/13/86/90/572138690.db2.gz HGGDCYNAVIUYDT-VWYCJHECSA-N 1 1 182.311 1.517 10 0 ADAEMO CCC[C@@H]1C[C@H]1[N@@H+]1CCN[C@H](CC)C1 300365913 572138880 /nfs/dbraw/zinc/13/88/80/572138880.db2.gz UXKMFPCJBHURMG-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@@H]1C[C@H]1[N@H+]1CCN[C@H](CC)C1 300365913 572138884 /nfs/dbraw/zinc/13/88/84/572138884.db2.gz UXKMFPCJBHURMG-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[N@H+]1CCNC[C@H]1CC 300364484 572138944 /nfs/dbraw/zinc/13/89/44/572138944.db2.gz MYGJXWZURUIJPH-UTUOFQBUSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@@H]1C[C@@H]1N1CC[NH2+]C[C@H]1CC 300364484 572138945 /nfs/dbraw/zinc/13/89/45/572138945.db2.gz MYGJXWZURUIJPH-UTUOFQBUSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[N@@H+]1CCN[C@H](CC)C1 300365915 572139023 /nfs/dbraw/zinc/13/90/23/572139023.db2.gz UXKMFPCJBHURMG-UTUOFQBUSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[N@H+]1CCN[C@H](CC)C1 300365915 572139026 /nfs/dbraw/zinc/13/90/26/572139026.db2.gz UXKMFPCJBHURMG-UTUOFQBUSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ncccn1 300379281 572139183 /nfs/dbraw/zinc/13/91/83/572139183.db2.gz HBAXDDRRCCXPDY-ZJUUUORDSA-N 1 1 191.278 1.755 10 0 ADAEMO CCC[C@@H]1C[C@@H]1Nc1nnc(C[NH3+])o1 300364446 572139566 /nfs/dbraw/zinc/13/95/66/572139566.db2.gz MFSGSHNYRDAKDJ-RQJHMYQMSA-N 1 1 196.254 1.129 10 0 ADAEMO CC[C@@H]1C[C@@H]1NC[C@@]1(C)CCC[NH2+]1 300379372 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IGWHPMRYJONMGV-UHFFFAOYSA-N 1 1 199.323 1.362 10 0 ADAEMO CCC(=[NH2+])NCCN(C)[C@H](C)CC 300368517 572140389 /nfs/dbraw/zinc/14/03/89/572140389.db2.gz RHQOJKLXWAKNLV-SECBINFHSA-N 1 1 185.315 1.694 10 0 ADAEMO CCC[N@H+](C)[C@H](CN)CCSC 37472153 572141481 /nfs/dbraw/zinc/14/14/81/572141481.db2.gz WMWMINLTKAKIGN-VIFPVBQESA-N 1 1 190.356 1.409 10 0 ADAEMO CC[C@@H](C(C)C)[N@H+](C)CCNC 69801084 572141482 /nfs/dbraw/zinc/14/14/82/572141482.db2.gz ZGOYJCMQMRQFCQ-JTQLQIEISA-N 1 1 172.316 1.572 10 0 ADAEMO CCC[N@@H+](C)[C@H](CN)CCSC 37472153 572141484 /nfs/dbraw/zinc/14/14/84/572141484.db2.gz WMWMINLTKAKIGN-VIFPVBQESA-N 1 1 190.356 1.409 10 0 ADAEMO CC[C@@H](C(C)C)[N@@H+](C)CCNC 69801084 572141485 /nfs/dbraw/zinc/14/14/85/572141485.db2.gz ZGOYJCMQMRQFCQ-JTQLQIEISA-N 1 1 172.316 1.572 10 0 ADAEMO CCC[C@@H]1C[N@H+]([C@H]2C[C@H]2CC)CCN1 300374913 572141471 /nfs/dbraw/zinc/14/14/71/572141471.db2.gz CEBFOBYWBZOOOP-UTUOFQBUSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[N@H+](C)[C@@H](CN)CCSC 37472154 572141366 /nfs/dbraw/zinc/14/13/66/572141366.db2.gz WMWMINLTKAKIGN-SECBINFHSA-N 1 1 190.356 1.409 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CN)CCSC 37472154 572141367 /nfs/dbraw/zinc/14/13/67/572141367.db2.gz WMWMINLTKAKIGN-SECBINFHSA-N 1 1 190.356 1.409 10 0 ADAEMO CCC[C@@H]1C[N@@H+]([C@H]2C[C@H]2CC)CCN1 300374913 572141468 /nfs/dbraw/zinc/14/14/68/572141468.db2.gz CEBFOBYWBZOOOP-UTUOFQBUSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@](C)(N)C[NH2+][C@H]1C[C@H]1CC 300373850 572141947 /nfs/dbraw/zinc/14/19/47/572141947.db2.gz AVNQVSCMNSLGJK-VWYCJHECSA-N 1 1 184.327 1.892 10 0 ADAEMO CCC[C@@H]1C[N@@H+]([C@@H]2C[C@H]2CC)CCN1 300374711 572141999 /nfs/dbraw/zinc/14/19/99/572141999.db2.gz CEBFOBYWBZOOOP-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@@H]1C[N@H+]([C@@H]2C[C@H]2CC)CCN1 300374711 572142000 /nfs/dbraw/zinc/14/20/00/572142000.db2.gz CEBFOBYWBZOOOP-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@H+](C)[C@H](CN)CCSC 37472135 572142036 /nfs/dbraw/zinc/14/20/36/572142036.db2.gz HIMCWTHRNUKWQO-QMMMGPOBSA-N 1 1 176.329 1.019 10 0 ADAEMO CC[N@@H+](C)[C@H](CN)CCSC 37472135 572142038 /nfs/dbraw/zinc/14/20/38/572142038.db2.gz HIMCWTHRNUKWQO-QMMMGPOBSA-N 1 1 176.329 1.019 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCN(C)C1 300373549 572142265 /nfs/dbraw/zinc/14/22/65/572142265.db2.gz ASGPLUSAISGNAW-TUAOUCFPSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H](N)[C@H](c1cc[nH]c1)[NH+]1CCCC1 71506643 572142438 /nfs/dbraw/zinc/14/24/38/572142438.db2.gz WVTRRMUHTDXOFP-MWLCHTKSSA-N 1 1 193.294 1.499 10 0 ADAEMO CC[C@@H]1C[C@@H]1NC[C@H]1C[C@@H](C)CC[NH2+]1 300373161 572142518 /nfs/dbraw/zinc/14/25/18/572142518.db2.gz AHXCBDBAHNSMDM-QCNOEVLYSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@H](C(C)C)[N@H+](C)CCNC 69801086 572142725 /nfs/dbraw/zinc/14/27/25/572142725.db2.gz ZGOYJCMQMRQFCQ-SNVBAGLBSA-N 1 1 172.316 1.572 10 0 ADAEMO CC[C@H](C(C)C)[N@@H+](C)CCNC 69801086 572142728 /nfs/dbraw/zinc/14/27/28/572142728.db2.gz ZGOYJCMQMRQFCQ-SNVBAGLBSA-N 1 1 172.316 1.572 10 0 ADAEMO CC[C@@H]1C[C@@H]1NC[C@@H]1C[C@@H](C)CC[NH2+]1 300373163 572142979 /nfs/dbraw/zinc/14/29/79/572142979.db2.gz AHXCBDBAHNSMDM-USZNOCQGSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[N@H+](C)[C@@H](CN)CCSC 37472136 572142987 /nfs/dbraw/zinc/14/29/87/572142987.db2.gz HIMCWTHRNUKWQO-MRVPVSSYSA-N 1 1 176.329 1.019 10 0 ADAEMO CC[N@@H+](C)[C@@H](CN)CCSC 37472136 572142989 /nfs/dbraw/zinc/14/29/89/572142989.db2.gz HIMCWTHRNUKWQO-MRVPVSSYSA-N 1 1 176.329 1.019 10 0 ADAEMO C[C@@H](NN1CC[NH+](C)CC1)C(C)(C)C 687710877 572143197 /nfs/dbraw/zinc/14/31/97/572143197.db2.gz WHRKOLHIBDILFJ-SNVBAGLBSA-N 1 1 199.342 1.173 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]CCCN(C)C 300376261 572143291 /nfs/dbraw/zinc/14/32/91/572143291.db2.gz DPWXAWRXUNJKFU-MNOVXSKESA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]CC1(N)CCC1 300375040 572143301 /nfs/dbraw/zinc/14/33/01/572143301.db2.gz CNFJTJKARVFBJL-BDAKNGLRSA-N 1 1 168.284 1.256 10 0 ADAEMO C[C@H](NN1CC[NH+](C)CC1)C(C)(C)C 687710876 572143334 /nfs/dbraw/zinc/14/33/34/572143334.db2.gz WHRKOLHIBDILFJ-JTQLQIEISA-N 1 1 199.342 1.173 10 0 ADAEMO C[C@H](N)[C@@H](c1cc[nH]c1)[NH+]1CCCC1 71506640 572143335 /nfs/dbraw/zinc/14/33/35/572143335.db2.gz WVTRRMUHTDXOFP-ONGXEEELSA-N 1 1 193.294 1.499 10 0 ADAEMO CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCN(C)C1 300373547 572143360 /nfs/dbraw/zinc/14/33/60/572143360.db2.gz ASGPLUSAISGNAW-IJLUTSLNSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCN(C)C1 300373551 572143380 /nfs/dbraw/zinc/14/33/80/572143380.db2.gz ASGPLUSAISGNAW-UTUOFQBUSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@H](N)[C@H](c1cc[nH]c1)[NH+]1CCCC1 71506642 572143470 /nfs/dbraw/zinc/14/34/70/572143470.db2.gz WVTRRMUHTDXOFP-GXSJLCMTSA-N 1 1 193.294 1.499 10 0 ADAEMO CC[C@@H]1C[C@@H]1NC[C@H]1C[C@H](C)CC[NH2+]1 300373159 572143727 /nfs/dbraw/zinc/14/37/27/572143727.db2.gz AHXCBDBAHNSMDM-KKOKHZNYSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)C[C@H](CN)OC 300376572 572144312 /nfs/dbraw/zinc/14/43/12/572144312.db2.gz LPFOBYSJQGBAQT-UWVGGRQHSA-N 1 1 188.315 1.081 10 0 ADAEMO C[C@H]1COC[C@H](c2ccccc2F)[NH2+]1 71506982 572144848 /nfs/dbraw/zinc/14/48/48/572144848.db2.gz JHTSAHSDUQJOOB-GZMMTYOYSA-N 1 1 195.237 1.875 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)N 300380312 572145287 /nfs/dbraw/zinc/14/52/87/572145287.db2.gz IKQCXLMUPCINNU-YIZRAAEISA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@H](O)C[N@@H+](C)CCc1ccsc1 69766854 572144026 /nfs/dbraw/zinc/14/40/26/572144026.db2.gz OPWRYGOBCKAOET-VIFPVBQESA-N 1 1 199.319 1.603 10 0 ADAEMO CC[N@@H+](CCO)CCc1ccsc1 69766823 572144076 /nfs/dbraw/zinc/14/40/76/572144076.db2.gz HKLMICGDOVXXFA-UHFFFAOYSA-N 1 1 199.319 1.605 10 0 ADAEMO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)N 300380310 572145320 /nfs/dbraw/zinc/14/53/20/572145320.db2.gz IKQCXLMUPCINNU-DJLDLDEBSA-N 1 1 156.273 1.112 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](N)C(C)C 300382007 572144276 /nfs/dbraw/zinc/14/42/76/572144276.db2.gz KCRAQAXLRXSVHE-MXWKQRLJSA-N 1 1 184.327 1.748 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](CN)OC 300379688 572144323 /nfs/dbraw/zinc/14/43/23/572144323.db2.gz ZEFXWBJCGZCQMO-ZJUUUORDSA-N 1 1 188.315 1.081 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]CC(N)(CC)CC 300376321 572144442 /nfs/dbraw/zinc/14/44/42/572144442.db2.gz DRQLSKQBTPJGPL-ZJUUUORDSA-N 1 1 184.327 1.892 10 0 ADAEMO CC[C@@H]1C[C@H]1NC[C@]1(CC)CCC[NH2+]1 300380262 572144468 /nfs/dbraw/zinc/14/44/68/572144468.db2.gz IELIATJOGKEWAF-UTUOFQBUSA-N 1 1 196.338 1.907 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)N 300380311 572144515 /nfs/dbraw/zinc/14/45/15/572144515.db2.gz IKQCXLMUPCINNU-HLTSFMKQSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@H]1COC[C@@H](c2cccc(F)c2)[NH2+]1 71506992 572144769 /nfs/dbraw/zinc/14/47/69/572144769.db2.gz ZZEVTVURTXBUJH-KWQFWETISA-N 1 1 195.237 1.875 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@](C)(N)C1CC1 300382479 572144777 /nfs/dbraw/zinc/14/47/77/572144777.db2.gz KLURDKKASKVDFJ-USWWRNFRSA-N 1 1 196.338 1.892 10 0 ADAEMO CCOC(=O)C[NH2+]C[C@@H]1CC=CCC1 37472516 572144789 /nfs/dbraw/zinc/14/47/89/572144789.db2.gz DFNQSQOSHOUAFG-SNVBAGLBSA-N 1 1 197.278 1.495 10 0 ADAEMO CCOC(=O)C[NH2+][C@H](CC)C(C)C 37472582 572144856 /nfs/dbraw/zinc/14/48/56/572144856.db2.gz DAEZXNUJWCSYJS-SECBINFHSA-N 1 1 187.283 1.574 10 0 ADAEMO CCC[C@@H]1C[C@@H]1N[C@@H]1CCC[NH2+]C1 300381154 572144913 /nfs/dbraw/zinc/14/49/13/572144913.db2.gz IYYDUVDWOYRXFG-MXWKQRLJSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H]1COC[C@H](c2cccc(F)c2)[NH2+]1 71506990 572144949 /nfs/dbraw/zinc/14/49/49/572144949.db2.gz ZZEVTVURTXBUJH-GZMMTYOYSA-N 1 1 195.237 1.875 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)(N)C1CC1 300382476 572145017 /nfs/dbraw/zinc/14/50/17/572145017.db2.gz KLURDKKASKVDFJ-ADEWGFFLSA-N 1 1 196.338 1.892 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](N)C(C)C 300382009 572145055 /nfs/dbraw/zinc/14/50/55/572145055.db2.gz KCRAQAXLRXSVHE-VWYCJHECSA-N 1 1 184.327 1.748 10 0 ADAEMO CCC[C@@H]1C[C@@H]1NC[C@@]1(C)CCC[NH2+]1 300385513 572145080 /nfs/dbraw/zinc/14/50/80/572145080.db2.gz NROZNYLJODUQTC-GRYCIOLGSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H]1CNC[C@H]1CC1(C)C 300381581 572145098 /nfs/dbraw/zinc/14/50/98/572145098.db2.gz JMGWCPDLUVGZTE-MXWKQRLJSA-N 1 1 196.338 1.620 10 0 ADAEMO CCOC(=O)C[NH2+]C[C@H]1CC=CCC1 37472515 572145113 /nfs/dbraw/zinc/14/51/13/572145113.db2.gz DFNQSQOSHOUAFG-JTQLQIEISA-N 1 1 197.278 1.495 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]CCCN(C)C 300381087 572145257 /nfs/dbraw/zinc/14/52/57/572145257.db2.gz IVJSWDVCCGYIKU-ZJUUUORDSA-N 1 1 170.300 1.326 10 0 ADAEMO CCC[C@H](CCO)C[N@H+]1CC[C@H]1C 300376586 572145359 /nfs/dbraw/zinc/14/53/59/572145359.db2.gz LVKYTZBRYGSEFU-GHMZBOCLSA-N 1 1 185.311 1.879 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]CC1(N)CCCC1 300381608 572145376 /nfs/dbraw/zinc/14/53/76/572145376.db2.gz JPSWHHYGDKWXPZ-ZJUUUORDSA-N 1 1 182.311 1.646 10 0 ADAEMO C[C@H]1COC[C@@H](c2ccccc2F)[NH2+]1 71506984 572145405 /nfs/dbraw/zinc/14/54/05/572145405.db2.gz JHTSAHSDUQJOOB-KWQFWETISA-N 1 1 195.237 1.875 10 0 ADAEMO CCC[C@H](C)[N@@H+](C)C[C@H](CN)OC 300379687 572145513 /nfs/dbraw/zinc/14/55/13/572145513.db2.gz ZEFXWBJCGZCQMO-UWVGGRQHSA-N 1 1 188.315 1.081 10 0 ADAEMO CCOC(=O)C[NH2+][C@@H](CC)C(C)C 37472581 572145622 /nfs/dbraw/zinc/14/56/22/572145622.db2.gz DAEZXNUJWCSYJS-VIFPVBQESA-N 1 1 187.283 1.574 10 0 ADAEMO CC[C@@H](C)[N@@H+](CC)C[C@H](CN)OC 300376573 572145637 /nfs/dbraw/zinc/14/56/37/572145637.db2.gz LPFOBYSJQGBAQT-ZJUUUORDSA-N 1 1 188.315 1.081 10 0 ADAEMO CCC[C@@H]1C[C@H]1N[C@H]1CCC[NH2+]C1 300381156 572145646 /nfs/dbraw/zinc/14/56/46/572145646.db2.gz IYYDUVDWOYRXFG-OUAUKWLOSA-N 1 1 182.311 1.517 10 0 ADAEMO CCOC(=O)C[NH2+]C[C@@H](C)CC 37472526 572145682 /nfs/dbraw/zinc/14/56/82/572145682.db2.gz HXHRHFUUBIDILL-QMMMGPOBSA-N 1 1 173.256 1.185 10 0 ADAEMO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](N)C(C)C 300382008 572145705 /nfs/dbraw/zinc/14/57/05/572145705.db2.gz KCRAQAXLRXSVHE-OUAUKWLOSA-N 1 1 184.327 1.748 10 0 ADAEMO C[N@@H+](CCCCO)CCCC(F)F 687890702 572145869 /nfs/dbraw/zinc/14/58/69/572145869.db2.gz ONZLZHKACSUFJH-UHFFFAOYSA-N 1 1 195.253 1.736 10 0 ADAEMO C[C@@H]1COC[C@@H](c2cccc(F)c2)[NH2+]1 71506991 572146022 /nfs/dbraw/zinc/14/60/22/572146022.db2.gz ZZEVTVURTXBUJH-KCJUWKMLSA-N 1 1 195.237 1.875 10 0 ADAEMO CCCc1nc(CC[C@@H](C)[NH3+])n[nH]1 69838287 572146053 /nfs/dbraw/zinc/14/60/53/572146053.db2.gz DEEMCKYOMRJMOV-SSDOTTSWSA-N 1 1 182.271 1.037 10 0 ADAEMO CCCc1nnc(CC[C@@H](C)[NH3+])[nH]1 69838287 572146056 /nfs/dbraw/zinc/14/60/56/572146056.db2.gz DEEMCKYOMRJMOV-SSDOTTSWSA-N 1 1 182.271 1.037 10 0 ADAEMO CC[C@@H]1C[C@@H]1NC[C@@]1(CC)CCC[NH2+]1 300380261 572146199 /nfs/dbraw/zinc/14/61/99/572146199.db2.gz IELIATJOGKEWAF-GRYCIOLGSA-N 1 1 196.338 1.907 10 0 ADAEMO CCC[C@@H]1C[C@H]1NC[C@]1(C)CCC[NH2+]1 300385514 572146273 /nfs/dbraw/zinc/14/62/73/572146273.db2.gz NROZNYLJODUQTC-UTUOFQBUSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@@H]1COC[C@H](c2cccc(F)c2)[NH2+]1 71506989 572146335 /nfs/dbraw/zinc/14/63/35/572146335.db2.gz ZZEVTVURTXBUJH-LDYMZIIASA-N 1 1 195.237 1.875 10 0 ADAEMO CCC[C@@H]1C[C@@H]1NC[C@]1(C)CCC[NH2+]1 300385515 572146367 /nfs/dbraw/zinc/14/63/67/572146367.db2.gz NROZNYLJODUQTC-WOPDTQHZSA-N 1 1 196.338 1.907 10 0 ADAEMO CC[C@@H]1C[C@@H]1NC[C@]1(CC)CCC[NH2+]1 300380263 572146393 /nfs/dbraw/zinc/14/63/93/572146393.db2.gz IELIATJOGKEWAF-WOPDTQHZSA-N 1 1 196.338 1.907 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)N 300380632 572146432 /nfs/dbraw/zinc/14/64/32/572146432.db2.gz IMVKWERWMURFKV-BDAKNGLRSA-N 1 1 170.300 1.502 10 0 ADAEMO CCOC(=O)C[NH2+]C[C@H](C)CC 37472525 572146443 /nfs/dbraw/zinc/14/64/43/572146443.db2.gz HXHRHFUUBIDILL-MRVPVSSYSA-N 1 1 173.256 1.185 10 0 ADAEMO Cc1cc([NH2+]CCCO)ccc1N 35278177 572146469 /nfs/dbraw/zinc/14/64/69/572146469.db2.gz RGMKWAOXRPHBTK-UHFFFAOYSA-N 1 1 180.251 1.372 10 0 ADAEMO CCC[C@@H]1C[C@@H]1N[C@H]1CCC[NH2+]C1 300381158 572146550 /nfs/dbraw/zinc/14/65/50/572146550.db2.gz IYYDUVDWOYRXFG-VWYCJHECSA-N 1 1 182.311 1.517 10 0 ADAEMO CCc1[nH]c(C[NH2+]C(C)C)nc1C 37477455 572146592 /nfs/dbraw/zinc/14/65/92/572146592.db2.gz YZMYJSZIXWYCHI-UHFFFAOYSA-N 1 1 181.283 1.779 10 0 ADAEMO CCCc1nc(CC[C@H](C)[NH3+])n[nH]1 69838288 572146745 /nfs/dbraw/zinc/14/67/45/572146745.db2.gz DEEMCKYOMRJMOV-ZETCQYMHSA-N 1 1 182.271 1.037 10 0 ADAEMO CCCc1nnc(CC[C@H](C)[NH3+])[nH]1 69838288 572146746 /nfs/dbraw/zinc/14/67/46/572146746.db2.gz DEEMCKYOMRJMOV-ZETCQYMHSA-N 1 1 182.271 1.037 10 0 ADAEMO CC(C)c1nc(CC[C@@H](C)[NH3+])n[nH]1 69838285 572146819 /nfs/dbraw/zinc/14/68/19/572146819.db2.gz LZNHYSHCUXHEBM-SSDOTTSWSA-N 1 1 182.271 1.208 10 0 ADAEMO CC(C)c1nnc(CC[C@@H](C)[NH3+])[nH]1 69838285 572146822 /nfs/dbraw/zinc/14/68/22/572146822.db2.gz LZNHYSHCUXHEBM-SSDOTTSWSA-N 1 1 182.271 1.208 10 0 ADAEMO C[C@@H](CC(F)(F)F)NC1CC([NH3+])C1 235153990 572146860 /nfs/dbraw/zinc/14/68/60/572146860.db2.gz QESYTWQOZAGPFA-VTSJMVTISA-N 1 1 196.216 1.407 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@H]1CNC[C@H]1CC1(C)C 300381580 572146955 /nfs/dbraw/zinc/14/69/55/572146955.db2.gz JMGWCPDLUVGZTE-GMTAPVOTSA-N 1 1 196.338 1.620 10 0 ADAEMO CC(C)c1nc(CC[C@H](C)[NH3+])n[nH]1 69838286 572147029 /nfs/dbraw/zinc/14/70/29/572147029.db2.gz LZNHYSHCUXHEBM-ZETCQYMHSA-N 1 1 182.271 1.208 10 0 ADAEMO CC(C)c1nnc(CC[C@H](C)[NH3+])[nH]1 69838286 572147031 /nfs/dbraw/zinc/14/70/31/572147031.db2.gz LZNHYSHCUXHEBM-ZETCQYMHSA-N 1 1 182.271 1.208 10 0 ADAEMO C[C@H]1C[C@H](C)C[NH+](CCNC2CC2)C1 37476704 572147319 /nfs/dbraw/zinc/14/73/19/572147319.db2.gz ZNTNBCQNFLFRDH-QWRGUYRKSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[C@H](C)[C@@H](N)C[NH2+]C[C@H]1CC1(C)C 300385493 572147524 /nfs/dbraw/zinc/14/75/24/572147524.db2.gz NPPUUSIUSZLVQW-AXFHLTTASA-N 1 1 198.354 1.996 10 0 ADAEMO CC(C)[C@H](C)[N@H+](C)CCNC1CC1 37476783 572147537 /nfs/dbraw/zinc/14/75/37/572147537.db2.gz UTBIHFTVAYMWFP-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)CCNC1CC1 37476783 572147543 /nfs/dbraw/zinc/14/75/43/572147543.db2.gz UTBIHFTVAYMWFP-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[NH+](CCC)CCNC1CC1 37476685 572149216 /nfs/dbraw/zinc/14/92/16/572149216.db2.gz LENHBAQTLWRIGO-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO C[N@H+](CCNC1CC1)C1CCCC1 37476738 572147687 /nfs/dbraw/zinc/14/76/87/572147687.db2.gz JDGJAIFUISICTH-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO C[N@@H+](CCNC1CC1)C1CCCC1 37476738 572147690 /nfs/dbraw/zinc/14/76/90/572147690.db2.gz JDGJAIFUISICTH-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CCc1[nH]c(C[NH2+]C2CC2)nc1C 37476880 572147765 /nfs/dbraw/zinc/14/77/65/572147765.db2.gz DKDVDDDEKVLILI-UHFFFAOYSA-N 1 1 179.267 1.533 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]Cc1nnc(C)o1 300385017 572147782 /nfs/dbraw/zinc/14/77/82/572147782.db2.gz MXEKSMOULDLVMJ-BDAKNGLRSA-N 1 1 195.266 1.656 10 0 ADAEMO CCC(CC)[N@H+](C)CCNC1CC1 37476784 572147794 /nfs/dbraw/zinc/14/77/94/572147794.db2.gz FJPVVWRWQVTYBZ-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(CC)[N@@H+](C)CCNC1CC1 37476784 572147795 /nfs/dbraw/zinc/14/77/95/572147795.db2.gz FJPVVWRWQVTYBZ-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO C[C@H](C1CC1)[N@H+](C)CCNC1CC1 37476781 572147851 /nfs/dbraw/zinc/14/78/51/572147851.db2.gz GQXNSXRPJPWQCV-SECBINFHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)CCNC1CC1 37476781 572147853 /nfs/dbraw/zinc/14/78/53/572147853.db2.gz GQXNSXRPJPWQCV-SECBINFHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]([NH3+])CCN(C)Cc1cccs1 37476764 572147950 /nfs/dbraw/zinc/14/79/50/572147950.db2.gz LDUWNDJTWRWBLJ-VIFPVBQESA-N 1 1 198.335 1.917 10 0 ADAEMO CC[N@H+](CCNC1CC1)CC(C)C 37476747 572147991 /nfs/dbraw/zinc/14/79/91/572147991.db2.gz QWBRNLKFAYFQBX-UHFFFAOYSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[N@@H+](CCNC1CC1)CC(C)C 37476747 572147994 /nfs/dbraw/zinc/14/79/94/572147994.db2.gz QWBRNLKFAYFQBX-UHFFFAOYSA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@H]([NH3+])CCCNCc1cscn1 69841037 572148011 /nfs/dbraw/zinc/14/80/11/572148011.db2.gz NNDPZJISLNLNDJ-QMMMGPOBSA-N 1 1 199.323 1.360 10 0 ADAEMO C[C@@H]1C[C@@H](C)C[NH+](CCNC2CC2)C1 37476705 572148207 /nfs/dbraw/zinc/14/82/07/572148207.db2.gz ZNTNBCQNFLFRDH-GHMZBOCLSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H]([NH3+])CCN(C)Cc1cccs1 37476765 572148306 /nfs/dbraw/zinc/14/83/06/572148306.db2.gz LDUWNDJTWRWBLJ-SECBINFHSA-N 1 1 198.335 1.917 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]CCNCC 300383782 572149261 /nfs/dbraw/zinc/14/92/61/572149261.db2.gz LWLJQRYXSAIEDW-ZJUUUORDSA-N 1 1 170.300 1.374 10 0 ADAEMO C[C@@H](C1CC1)[N@H+](C)CCNC1CC1 37476780 572148548 /nfs/dbraw/zinc/14/85/48/572148548.db2.gz GQXNSXRPJPWQCV-VIFPVBQESA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+](C)CCNC1CC1 37476780 572148551 /nfs/dbraw/zinc/14/85/51/572148551.db2.gz GQXNSXRPJPWQCV-VIFPVBQESA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)OCCc1ccc[nH+]c1N 69841453 572148553 /nfs/dbraw/zinc/14/85/53/572148553.db2.gz ASWKVFSCKHGHBQ-UHFFFAOYSA-N 1 1 180.251 1.631 10 0 ADAEMO CC[C@H](C)[N@H+](CC)CCNC1CC1 37476749 572148591 /nfs/dbraw/zinc/14/85/91/572148591.db2.gz NQHLNCCNYWAJMI-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)CCNC1CC1 37476749 572148593 /nfs/dbraw/zinc/14/85/93/572148593.db2.gz NQHLNCCNYWAJMI-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@H+](CCNC1CC1)C(C)C 37476741 572148680 /nfs/dbraw/zinc/14/86/80/572148680.db2.gz MERNQGLIYNMUJD-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CCNC1CC1)C(C)C 37476741 572148682 /nfs/dbraw/zinc/14/86/82/572148682.db2.gz MERNQGLIYNMUJD-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]CCNC(C)C 300384528 572148981 /nfs/dbraw/zinc/14/89/81/572148981.db2.gz MNFFWFQUSFPMNS-MNOVXSKESA-N 1 1 184.327 1.763 10 0 ADAEMO CC[C@H](C)[C@H](N)C[NH2+]C[C@H]1CC1(C)C 300385494 572149167 /nfs/dbraw/zinc/14/91/67/572149167.db2.gz NPPUUSIUSZLVQW-HBNTYKKESA-N 1 1 198.354 1.996 10 0 ADAEMO CC[C@@H](C)[N@H+](CC)CCNC1CC1 37476748 572149174 /nfs/dbraw/zinc/14/91/74/572149174.db2.gz NQHLNCCNYWAJMI-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@H](C)[N@@H+](CC)CCNC1CC1 37476748 572149175 /nfs/dbraw/zinc/14/91/75/572149175.db2.gz NQHLNCCNYWAJMI-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H](C)NCC[NH2+][C@@H]1C[C@H]1CC 300385098 572149338 /nfs/dbraw/zinc/14/93/38/572149338.db2.gz NCGWNUOAMKGVEM-HBNTYKKESA-N 1 1 184.327 1.763 10 0 ADAEMO CC(C)[C@@H](C)[N@H+](C)CCNC1CC1 37476782 572149319 /nfs/dbraw/zinc/14/93/19/572149319.db2.gz UTBIHFTVAYMWFP-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+](C)CCNC1CC1 37476782 572149322 /nfs/dbraw/zinc/14/93/22/572149322.db2.gz UTBIHFTVAYMWFP-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)NCC[NH2+][C@H]1C[C@H]1CC 300385097 572149457 /nfs/dbraw/zinc/14/94/57/572149457.db2.gz NCGWNUOAMKGVEM-AXFHLTTASA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@H+](CCNC2CC2)C1 37476703 572149511 /nfs/dbraw/zinc/14/95/11/572149511.db2.gz ZNTNBCQNFLFRDH-PHIMTYICSA-N 1 1 196.338 1.716 10 0 ADAEMO CCCOC(=O)C[NH2+]C1CCCC1 37474840 572149482 /nfs/dbraw/zinc/14/94/82/572149482.db2.gz LOFKBOJNFVRJBF-UHFFFAOYSA-N 1 1 185.267 1.472 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+](CCNC2CC2)C1 37476703 572149514 /nfs/dbraw/zinc/14/95/14/572149514.db2.gz ZNTNBCQNFLFRDH-PHIMTYICSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@H]1CC[C@@H](OC(=O)[C@@H](C)[NH3+])C[C@@H]1C 82840041 572149650 /nfs/dbraw/zinc/14/96/50/572149650.db2.gz XDASFLZIDNKEFW-AXTSPUMRSA-N 1 1 199.294 1.702 10 0 ADAEMO C[C@H]([NH3+])C(=O)O[C@H]1CC[C@H](C)[C@@H](C)C1 82839884 572149743 /nfs/dbraw/zinc/14/97/43/572149743.db2.gz XDASFLZIDNKEFW-XKNYDFJKSA-N 1 1 199.294 1.702 10 0 ADAEMO C[C@@H]([NH3+])CCCNCc1cscn1 69841038 572150084 /nfs/dbraw/zinc/15/00/84/572150084.db2.gz NNDPZJISLNLNDJ-MRVPVSSYSA-N 1 1 199.323 1.360 10 0 ADAEMO CCCCN(C)CC1([NH3+])CCCC1 37479575 572150374 /nfs/dbraw/zinc/15/03/74/572150374.db2.gz NYOZQZHLYXQXAW-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CC(C)C[N@@H+](C)CC1(N)CCCC1 37479607 572150388 /nfs/dbraw/zinc/15/03/88/572150388.db2.gz YXQPMKGPYQXQEK-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)CN(C)CC1([NH3+])CCCC1 37479607 572150389 /nfs/dbraw/zinc/15/03/89/572150389.db2.gz YXQPMKGPYQXQEK-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H](C)[N@@H+](C)CC1(N)CCCC1 37479609 572150571 /nfs/dbraw/zinc/15/05/71/572150571.db2.gz WJGDEMQOVWXJMG-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CC[C@H](C)N(C)CC1([NH3+])CCCC1 37479609 572150573 /nfs/dbraw/zinc/15/05/73/572150573.db2.gz WJGDEMQOVWXJMG-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CCCc1cc(=O)n([C@H]2CC[NH2+]C2)[nH]1 249726553 572150583 /nfs/dbraw/zinc/15/05/83/572150583.db2.gz VOHZCILMGNVKJW-VIFPVBQESA-N 1 1 195.266 1.076 10 0 ADAEMO C[C@H]1CC[C@H](OC(=O)[C@@H](C)[NH3+])C[C@@H]1C 82840038 572150732 /nfs/dbraw/zinc/15/07/32/572150732.db2.gz XDASFLZIDNKEFW-QEYWKRMJSA-N 1 1 199.294 1.702 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)CC1(N)CCCC1 37479634 572150788 /nfs/dbraw/zinc/15/07/88/572150788.db2.gz UWICJSJSRGELAB-SNVBAGLBSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H](C1CC1)N(C)CC1([NH3+])CCCC1 37479634 572150791 /nfs/dbraw/zinc/15/07/91/572150791.db2.gz UWICJSJSRGELAB-SNVBAGLBSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CC[C@H](OC(=O)C[NH3+])C[C@@H]1C 82840086 572151200 /nfs/dbraw/zinc/15/12/00/572151200.db2.gz ZPDAIGOECMQNJR-CIUDSAMLSA-N 1 1 185.267 1.313 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]C[C@](C)(N)C1CC1 300387681 572151233 /nfs/dbraw/zinc/15/12/33/572151233.db2.gz PULIZIRGHXDJQK-MIMYLULJSA-N 1 1 182.311 1.502 10 0 ADAEMO C[C@H]1CC[C@@H](OC(=O)C[NH3+])C[C@@H]1C 82840088 572151258 /nfs/dbraw/zinc/15/12/58/572151258.db2.gz ZPDAIGOECMQNJR-XHNCKOQMSA-N 1 1 185.267 1.313 10 0 ADAEMO CC(C)[NH2+]CCCN(C)C1CC1 37480288 572151309 /nfs/dbraw/zinc/15/13/09/572151309.db2.gz UBQQKRLHUBDFQZ-UHFFFAOYSA-N 1 1 170.300 1.469 10 0 ADAEMO Cn1c[nH+]cc1CC1(O)CCCC1 401748944 572151638 /nfs/dbraw/zinc/15/16/38/572151638.db2.gz MEQPJJUXLZUMNH-UHFFFAOYSA-N 1 1 180.251 1.268 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)CC1(N)CCCC1 37479608 572152026 /nfs/dbraw/zinc/15/20/26/572152026.db2.gz WJGDEMQOVWXJMG-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO CC[C@@H](C)N(C)CC1([NH3+])CCCC1 37479608 572152029 /nfs/dbraw/zinc/15/20/29/572152029.db2.gz WJGDEMQOVWXJMG-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@H]1CC[C@H]([NH+]2CC(N)C2)C[C@@H]1C 82844843 572152398 /nfs/dbraw/zinc/15/23/98/572152398.db2.gz PVFUFVGOMYBCBC-QXEWZRGKSA-N 1 1 182.311 1.454 10 0 ADAEMO CC[C@H]1CC[N@@H+](CC)[C@@H](CN)C1 234065316 572152452 /nfs/dbraw/zinc/15/24/52/572152452.db2.gz QCOLDFJCNYUPEW-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H]1CCN(CC)[C@@H](C[NH3+])C1 234065316 572152455 /nfs/dbraw/zinc/15/24/55/572152455.db2.gz QCOLDFJCNYUPEW-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)(N)C1CC1 300387679 572152530 /nfs/dbraw/zinc/15/25/30/572152530.db2.gz PULIZIRGHXDJQK-DVVUODLYSA-N 1 1 182.311 1.502 10 0 ADAEMO COC[C@@H](C)[N@H+]1CCCC[C@@H]1C(C)=O 69902131 572154117 /nfs/dbraw/zinc/15/41/17/572154117.db2.gz NRNLFUZLYPQCDI-MWLCHTKSSA-N 1 1 199.294 1.465 10 0 ADAEMO COC(C)(C)c1cnc(CCC[NH3+])[nH]1 300958224 572152700 /nfs/dbraw/zinc/15/27/00/572152700.db2.gz HWRGBJFAXNYSOE-UHFFFAOYSA-N 1 1 197.282 1.183 10 0 ADAEMO CC[C@@H]1C[C@H]1[NH2+]C[C@](C)(N)C1CC1 300387680 572152869 /nfs/dbraw/zinc/15/28/69/572152869.db2.gz PULIZIRGHXDJQK-IEBDPFPHSA-N 1 1 182.311 1.502 10 0 ADAEMO CCCN(C)CC1([NH3+])CCCC1 37479606 572152955 /nfs/dbraw/zinc/15/29/55/572152955.db2.gz DPWUDURKBIVRQV-UHFFFAOYSA-N 1 1 170.300 1.600 10 0 ADAEMO CCC[C@@H]1C[C@@H]1NCC[NH2+]C1CC1 300385907 572153097 /nfs/dbraw/zinc/15/30/97/572153097.db2.gz OCLYHWXNGBPFGI-KOLCDFICSA-N 1 1 182.311 1.517 10 0 ADAEMO CC[C@H](C[N@@H+]1CCCSC1)OC 687822230 572153170 /nfs/dbraw/zinc/15/31/70/572153170.db2.gz OVTXLAZAURRXTR-SECBINFHSA-N 1 1 189.324 1.808 10 0 ADAEMO CC[C@H](C[N@H+]1CCCSC1)OC 687822230 572153172 /nfs/dbraw/zinc/15/31/72/572153172.db2.gz OVTXLAZAURRXTR-SECBINFHSA-N 1 1 189.324 1.808 10 0 ADAEMO C[C@H]1CC[C@@H]([N@@H+](C)CCO)C[C@@H]1C 82844275 572153214 /nfs/dbraw/zinc/15/32/14/572153214.db2.gz RJGTWFUJWZPLRI-GARJFASQSA-N 1 1 185.311 1.735 10 0 ADAEMO CCC[N@@H+](CC)CC1(N)CCCC1 37479603 572153243 /nfs/dbraw/zinc/15/32/43/572153243.db2.gz QJRTZAPQUNVZHP-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CCCN(CC)CC1([NH3+])CCCC1 37479603 572153245 /nfs/dbraw/zinc/15/32/45/572153245.db2.gz QJRTZAPQUNVZHP-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CCCc1cc(=O)n([C@@H]2CC[NH2+]C2)[nH]1 249726552 572153264 /nfs/dbraw/zinc/15/32/64/572153264.db2.gz VOHZCILMGNVKJW-SECBINFHSA-N 1 1 195.266 1.076 10 0 ADAEMO C[C@H]1CC[C@H]([N@@H+](C)CCO)C[C@@H]1C 82844272 572153334 /nfs/dbraw/zinc/15/33/34/572153334.db2.gz RJGTWFUJWZPLRI-DCAQKATOSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@H]1C[C@@](CN)([NH2+]C2CC2)CCO1 69892514 572153405 /nfs/dbraw/zinc/15/34/05/572153405.db2.gz HWKVPFAXDAEESH-QWRGUYRKSA-N 1 1 198.310 1.025 10 0 ADAEMO CC[N@@H+](CCN)C1CCC(C)CC1 82848509 572153441 /nfs/dbraw/zinc/15/34/41/572153441.db2.gz FQWMVIWHCLLOGM-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@](C)([NH3+])CN(CC)C1CC1 37480921 572153568 /nfs/dbraw/zinc/15/35/68/572153568.db2.gz ZGKIVDZBHPSKGP-NSHDSACASA-N 1 1 184.327 1.988 10 0 ADAEMO C[N@@H+](C[C@](C)(N)C1CC1)C1CCCC1 37479209 572154175 /nfs/dbraw/zinc/15/41/75/572154175.db2.gz JGQXDJRTAILMJZ-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCC[C@H]([NH3+])CN(CC)CC 37480783 572153648 /nfs/dbraw/zinc/15/36/48/572153648.db2.gz BPZCAJPXNAAAEU-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CCCC[C@H](N)C[NH+](CC)CC 37480783 572153650 /nfs/dbraw/zinc/15/36/50/572153650.db2.gz BPZCAJPXNAAAEU-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CC(C)C[N@@H+](C)C[C@@](C)(N)C1CC1 37479219 572153670 /nfs/dbraw/zinc/15/36/70/572153670.db2.gz JVLJMSPHSBKFDG-LLVKDONJSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)CN(C)C[C@@](C)([NH3+])C1CC1 37479219 572153673 /nfs/dbraw/zinc/15/36/73/572153673.db2.gz JVLJMSPHSBKFDG-LLVKDONJSA-N 1 1 184.327 1.702 10 0 ADAEMO CCC[C@](C)([NH3+])CN(CC)CC 37480785 572153680 /nfs/dbraw/zinc/15/36/80/572153680.db2.gz STJFLXYMXLMCHZ-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CN(C[C@](C)([NH3+])C1CC1)C1CCCC1 37479209 572154178 /nfs/dbraw/zinc/15/41/78/572154178.db2.gz JGQXDJRTAILMJZ-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCN(C)C[C@](C)([NH3+])CCC 37480954 572153733 /nfs/dbraw/zinc/15/37/33/572153733.db2.gz JQGJOPHEERQVMA-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]CCNC(C)(C)C 300389248 572153767 /nfs/dbraw/zinc/15/37/67/572153767.db2.gz RTZKYOCXTQYLLU-ZJUUUORDSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC[C@@H]1C[C@H]1NC[C@H]1CCCC[NH2+]1 300388967 572153772 /nfs/dbraw/zinc/15/37/72/572153772.db2.gz RMDMPGOMUIXKQZ-IJLUTSLNSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@H]1C[C@@H](C)CC([NH3+])(CN)C1 82849681 572153888 /nfs/dbraw/zinc/15/38/88/572153888.db2.gz HHEQNCNNTGMLBS-JVHMLUBASA-N 1 1 156.273 1.099 10 0 ADAEMO CCCN(C)C[C@@](C)([NH3+])CCC 37480953 572153955 /nfs/dbraw/zinc/15/39/55/572153955.db2.gz JQGJOPHEERQVMA-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CC[C@@H](C[N@@H+]1CCCSC1)OC 687822231 572154005 /nfs/dbraw/zinc/15/40/05/572154005.db2.gz OVTXLAZAURRXTR-VIFPVBQESA-N 1 1 189.324 1.808 10 0 ADAEMO CC[C@@H](C[N@H+]1CCCSC1)OC 687822231 572154007 /nfs/dbraw/zinc/15/40/07/572154007.db2.gz OVTXLAZAURRXTR-VIFPVBQESA-N 1 1 189.324 1.808 10 0 ADAEMO CCC[C@@](C)([NH3+])CN(CC)CC 37480786 572154010 /nfs/dbraw/zinc/15/40/10/572154010.db2.gz STJFLXYMXLMCHZ-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CC[N@@H+](CCO)C1CCC(C)CC1 82856232 572154052 /nfs/dbraw/zinc/15/40/52/572154052.db2.gz JWRVMJVIPBSQRR-UHFFFAOYSA-N 1 1 185.311 1.879 10 0 ADAEMO CCCN(C[C@](C)([NH3+])C1CC1)C1CC1 37479214 572154075 /nfs/dbraw/zinc/15/40/75/572154075.db2.gz JRLDMLIXKKWBSW-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CNCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C 82860912 572155064 /nfs/dbraw/zinc/15/50/64/572155064.db2.gz XMWPIZLKPYEXOC-IJLUTSLNSA-N 1 1 198.354 1.962 10 0 ADAEMO CNCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C 82860912 572155065 /nfs/dbraw/zinc/15/50/65/572155065.db2.gz XMWPIZLKPYEXOC-IJLUTSLNSA-N 1 1 198.354 1.962 10 0 ADAEMO CCC[N@@H+](CC)C[C@@](C)(N)C1CC1 37479211 572154384 /nfs/dbraw/zinc/15/43/84/572154384.db2.gz WKWOMGLJALIVQY-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCCN(CC)C[C@@](C)([NH3+])C1CC1 37479211 572154389 /nfs/dbraw/zinc/15/43/89/572154389.db2.gz WKWOMGLJALIVQY-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO COC[C@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 69902117 572154453 /nfs/dbraw/zinc/15/44/53/572154453.db2.gz OSGMZWGUFUEFCH-ONGXEEELSA-N 1 1 199.294 1.322 10 0 ADAEMO CNCC[N@H+](C)[C@@H]1CCC[C@H](C)[C@H]1C 82860921 572154518 /nfs/dbraw/zinc/15/45/18/572154518.db2.gz YSLFWHJIWPOMOG-QJPTWQEYSA-N 1 1 198.354 1.962 10 0 ADAEMO CNCC[N@@H+](C)[C@@H]1CCC[C@H](C)[C@H]1C 82860921 572154520 /nfs/dbraw/zinc/15/45/20/572154520.db2.gz YSLFWHJIWPOMOG-QJPTWQEYSA-N 1 1 198.354 1.962 10 0 ADAEMO C[C@H]1C[NH2+][C@@H](c2ccccc2F)O1 71498636 572154598 /nfs/dbraw/zinc/15/45/98/572154598.db2.gz BZHADYIEUZWLDR-OIBJUYFYSA-N 1 1 181.210 1.833 10 0 ADAEMO CC[C@@H]1C[C@@](CN)([NH2+]C2CC2)CCO1 69892512 572154611 /nfs/dbraw/zinc/15/46/11/572154611.db2.gz HWKVPFAXDAEESH-MNOVXSKESA-N 1 1 198.310 1.025 10 0 ADAEMO C[C@H]1CCC[C@]([NH3+])(CN)[C@@H]1C 82859985 572154615 /nfs/dbraw/zinc/15/46/15/572154615.db2.gz KXMFRBRTGLTBEP-YIZRAAEISA-N 1 1 156.273 1.099 10 0 ADAEMO CCCC[C@@H]([NH3+])CN(CC)CC 37480784 572154636 /nfs/dbraw/zinc/15/46/36/572154636.db2.gz BPZCAJPXNAAAEU-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CCCC[C@@H](N)C[NH+](CC)CC 37480784 572154637 /nfs/dbraw/zinc/15/46/37/572154637.db2.gz BPZCAJPXNAAAEU-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO Cc1cc2c[nH+]c(N(C)C)nc2[nH]1 35305839 572154639 /nfs/dbraw/zinc/15/46/39/572154639.db2.gz WFOBCTWDSMNMKN-UHFFFAOYSA-N 1 1 176.223 1.332 10 0 ADAEMO C[C@H]1CO[C@H](c2ccccc2F)[NH2+]1 71498641 572154671 /nfs/dbraw/zinc/15/46/71/572154671.db2.gz UTFQCZYAWBYWTO-OIBJUYFYSA-N 1 1 181.210 1.833 10 0 ADAEMO CCN(C[C@](C)([NH3+])C1CC1)C1CC1 37479200 572154673 /nfs/dbraw/zinc/15/46/73/572154673.db2.gz AGKIQBQJQQQQLG-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO COC[C@@H](C)Oc1ccc(C)[nH+]c1N 69901390 572154705 /nfs/dbraw/zinc/15/47/05/572154705.db2.gz NXKYTOKYSAGRMQ-MRVPVSSYSA-N 1 1 196.250 1.386 10 0 ADAEMO CCC[C@@H]1C[C@@H]1NC[C@H]1CCCC[NH2+]1 300388968 572154717 /nfs/dbraw/zinc/15/47/17/572154717.db2.gz RMDMPGOMUIXKQZ-UTUOFQBUSA-N 1 1 196.338 1.907 10 0 ADAEMO C[N@@H+](C[C@@](C)(N)C1CC1)C1CCCC1 37479208 572154848 /nfs/dbraw/zinc/15/48/48/572154848.db2.gz JGQXDJRTAILMJZ-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO CN(C[C@@](C)([NH3+])C1CC1)C1CCCC1 37479208 572154850 /nfs/dbraw/zinc/15/48/50/572154850.db2.gz JGQXDJRTAILMJZ-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO COC[C@@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 69902120 572154862 /nfs/dbraw/zinc/15/48/62/572154862.db2.gz OSGMZWGUFUEFCH-KOLCDFICSA-N 1 1 199.294 1.322 10 0 ADAEMO CCN(CC)C[C@@](C)([NH3+])C1CC1 37479131 572154775 /nfs/dbraw/zinc/15/47/75/572154775.db2.gz BYTOUBRLHWKQQL-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO COC(=O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C 82857107 572154927 /nfs/dbraw/zinc/15/49/27/572154927.db2.gz UPMDTQCCLDAUIC-LPEHRKFASA-N 1 1 199.294 1.574 10 0 ADAEMO C[C@H]1CCC[C@@]([NH3+])(CN)[C@@H]1C 82859987 572154939 /nfs/dbraw/zinc/15/49/39/572154939.db2.gz 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CCN(C[C@](C)([NH3+])C1CC1)C(C)C 37479204 572155415 /nfs/dbraw/zinc/15/54/15/572155415.db2.gz WQQSSESIYBIADO-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1CCC[C@H]([N@@H+](C)CCN)[C@@H]1C 82860849 572155102 /nfs/dbraw/zinc/15/51/02/572155102.db2.gz LFAHGGVHZWELEH-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CNCC[N@H+](C)[C@@H]1CC[C@H](C)C[C@H]1C 82860917 572155132 /nfs/dbraw/zinc/15/51/32/572155132.db2.gz GYOGCCVHVUMFBO-QJPTWQEYSA-N 1 1 198.354 1.962 10 0 ADAEMO CC[C@H]1C[C@](CN)([NH2+]C2CC2)CCO1 69892520 572155134 /nfs/dbraw/zinc/15/51/34/572155134.db2.gz HWKVPFAXDAEESH-WDEREUQCSA-N 1 1 198.310 1.025 10 0 ADAEMO CNCC[N@@H+](C)[C@@H]1CC[C@H](C)C[C@H]1C 82860917 572155136 /nfs/dbraw/zinc/15/51/36/572155136.db2.gz GYOGCCVHVUMFBO-QJPTWQEYSA-N 1 1 198.354 1.962 10 0 ADAEMO COC(=O)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 82857106 572155167 /nfs/dbraw/zinc/15/51/67/572155167.db2.gz UPMDTQCCLDAUIC-KXUCPTDWSA-N 1 1 199.294 1.574 10 0 ADAEMO CC[C@@H]1C[C@](CN)([NH2+]C2CC2)CCO1 69892517 572155198 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184.327 1.763 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)NC 300389585 572155972 /nfs/dbraw/zinc/15/59/72/572155972.db2.gz SFDNXMJWSQMWLG-ZJUUUORDSA-N 1 1 184.327 1.763 10 0 ADAEMO CNCC[N@@H+](C)[C@@H]1CCC[C@@H](C)[C@H]1C 82860920 572156291 /nfs/dbraw/zinc/15/62/91/572156291.db2.gz YSLFWHJIWPOMOG-IJLUTSLNSA-N 1 1 198.354 1.962 10 0 ADAEMO C[C@H]1C[NH2+][C@H](c2ccccc2F)O1 71498631 572156247 /nfs/dbraw/zinc/15/62/47/572156247.db2.gz BZHADYIEUZWLDR-XVKPBYJWSA-N 1 1 181.210 1.833 10 0 ADAEMO CCC[N@@H+](CC)C[C@](C)(N)C1CC1 37479210 572156285 /nfs/dbraw/zinc/15/62/85/572156285.db2.gz WKWOMGLJALIVQY-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCCN(CC)C[C@](C)([NH3+])C1CC1 37479210 572156287 /nfs/dbraw/zinc/15/62/87/572156287.db2.gz WKWOMGLJALIVQY-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CNCC[N@H+](C)[C@@H]1CCC[C@@H](C)[C@H]1C 82860920 572156288 /nfs/dbraw/zinc/15/62/88/572156288.db2.gz YSLFWHJIWPOMOG-IJLUTSLNSA-N 1 1 198.354 1.962 10 0 ADAEMO CCCCN(C)C[C@](C)([NH3+])C1CC1 37479157 572156312 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1.082 10 0 ADAEMO C[C@H]1CC[C@H](C)[C@H]([N@@H+](C)CCN)C1 82860841 572156528 /nfs/dbraw/zinc/15/65/28/572156528.db2.gz AIEONPOTZREFOD-GARJFASQSA-N 1 1 184.327 1.702 10 0 ADAEMO CCc1[nH+]ccn1[C@@H](C)COC 69906444 572156553 /nfs/dbraw/zinc/15/65/53/572156553.db2.gz YGAMXJDVCPUGDW-QMMMGPOBSA-N 1 1 168.240 1.653 10 0 ADAEMO C[C@@H]1CO[C@@H](c2ccccc2F)[NH2+]1 71498644 572156567 /nfs/dbraw/zinc/15/65/67/572156567.db2.gz UTFQCZYAWBYWTO-XCBNKYQSSA-N 1 1 181.210 1.833 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)C[C@](C)(N)C1CC1 37479257 572156619 /nfs/dbraw/zinc/15/66/19/572156619.db2.gz VJIBXIRRGQUAEC-SKDRFNHKSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@H](C1CC1)N(C)C[C@](C)([NH3+])C1CC1 37479257 572156621 /nfs/dbraw/zinc/15/66/21/572156621.db2.gz VJIBXIRRGQUAEC-SKDRFNHKSA-N 1 1 196.338 1.844 10 0 ADAEMO CC(C)(C)NC(=O)C[N@H+]1CC=CCC1 238920037 572156869 /nfs/dbraw/zinc/15/68/69/572156869.db2.gz SXNYGTKKODJGPP-UHFFFAOYSA-N 1 1 196.294 1.163 10 0 ADAEMO CC(C)(C)NC(=O)C[N@@H+]1CC=CCC1 238920037 572156871 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CC[C@H](C)C[NH2+]C[C@@H]1CCN(C)C1 37484777 572158140 /nfs/dbraw/zinc/15/81/40/572158140.db2.gz WKXFQLZANXHIEP-QWRGUYRKSA-N 1 1 184.327 1.574 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]Cc1nonc1C 300390995 572158169 /nfs/dbraw/zinc/15/81/69/572158169.db2.gz VCYJLLRJGGZFDC-SFYZADRCSA-N 1 1 181.239 1.266 10 0 ADAEMO COC(=O)[C@H]1CCC[N@H+]1C(C)(C)C 146361518 572158201 /nfs/dbraw/zinc/15/82/01/572158201.db2.gz GNLXHDANEVEAMC-MRVPVSSYSA-N 1 1 185.267 1.422 10 0 ADAEMO CC[C@H]([NH2+]C[C@@H]1CCN(C)C1)C(C)C 37484848 572158210 /nfs/dbraw/zinc/15/82/10/572158210.db2.gz KGHLIWYHXYSGGI-RYUDHWBXSA-N 1 1 198.354 1.962 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](N)CC(C)C 300390225 572158221 /nfs/dbraw/zinc/15/82/21/572158221.db2.gz SZASVWJVNNASQL-VWYCJHECSA-N 1 1 184.327 1.748 10 0 ADAEMO CC[C@@H]([NH2+]C[C@H]1CCN(C)C1)C(C)C 37484851 572158339 /nfs/dbraw/zinc/15/83/39/572158339.db2.gz KGHLIWYHXYSGGI-VXGBXAGGSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)[C@H](C)[NH2+]C[C@H]1CCN(C)C1 37484685 572158406 /nfs/dbraw/zinc/15/84/06/572158406.db2.gz AUPZRFDKKOFRET-WDEREUQCSA-N 1 1 184.327 1.572 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(CN)o1 300390924 572158498 /nfs/dbraw/zinc/15/84/98/572158498.db2.gz UVHLKXUNYFONIU-KCJUWKMLSA-N 1 1 194.278 1.626 10 0 ADAEMO COC[C@@H](C)[N@@H+](CCCO)C(C)C 69906054 572158547 /nfs/dbraw/zinc/15/85/47/572158547.db2.gz WNBWHUOYZUWAIK-SNVBAGLBSA-N 1 1 189.299 1.114 10 0 ADAEMO CCCC[NH2+]C[C@H]1CCN(C)C1 37484725 572158634 /nfs/dbraw/zinc/15/86/34/572158634.db2.gz DNRZWTRCAWZHNO-SNVBAGLBSA-N 1 1 170.300 1.328 10 0 ADAEMO CCCC[N@H+](CCN)[C@H](C)COC 69906419 572158723 /nfs/dbraw/zinc/15/87/23/572158723.db2.gz BNHPBHFBDRDLNY-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CCCC[N@@H+](CCN)[C@H](C)COC 69906419 572158726 /nfs/dbraw/zinc/15/87/26/572158726.db2.gz BNHPBHFBDRDLNY-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CCC(CC)C[NH2+]C[C@@H]1CCN(C)C1 37484658 572158821 /nfs/dbraw/zinc/15/88/21/572158821.db2.gz OFTOHTSTRTXUAQ-LBPRGKRZSA-N 1 1 198.354 1.964 10 0 ADAEMO COc1ccccc1[C@@H]1[NH2+]C[C@@H](C)O1 71506274 572160440 /nfs/dbraw/zinc/16/04/40/572160440.db2.gz IGTUOBRBSPFAFH-LDYMZIIASA-N 1 1 193.246 1.702 10 0 ADAEMO CC[C@@H]1C[C@H]1[NH2+]C[C@H](N)CC(C)C 300390223 572158936 /nfs/dbraw/zinc/15/89/36/572158936.db2.gz SZASVWJVNNASQL-GMTAPVOTSA-N 1 1 184.327 1.748 10 0 ADAEMO CC[C@H]([NH2+]C[C@H]1CCN(C)C1)C(C)C 37484850 572158954 /nfs/dbraw/zinc/15/89/54/572158954.db2.gz KGHLIWYHXYSGGI-NEPJUHHUSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCN(C)C1 37484688 572159039 /nfs/dbraw/zinc/15/90/39/572159039.db2.gz ZMOYXOOSSLGVAU-VXGBXAGGSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)C[C@H](C)[NH2+]C[C@H]1CCN(C)C1 37484689 572160441 /nfs/dbraw/zinc/16/04/41/572160441.db2.gz ZMOYXOOSSLGVAU-NWDGAFQWSA-N 1 1 198.354 1.962 10 0 ADAEMO CCC[NH2+]C[C@H]1CCN(C2CC2)C1 37485322 572159119 /nfs/dbraw/zinc/15/91/19/572159119.db2.gz VTKPIRPDGZHXQJ-SNVBAGLBSA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]C[C@H](N)C(C)C 300390580 572159137 /nfs/dbraw/zinc/15/91/37/572159137.db2.gz UPVSMVUMPTWXAK-UTLUCORTSA-N 1 1 170.300 1.358 10 0 ADAEMO CCC[C@@H]([NH3+])Cc1cnccc1N 69941458 572159269 /nfs/dbraw/zinc/15/92/69/572159269.db2.gz VMYLXSLNRNHVRY-SECBINFHSA-N 1 1 179.267 1.334 10 0 ADAEMO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)NC 300391840 572159302 /nfs/dbraw/zinc/15/93/02/572159302.db2.gz VXOYCEIYEXSSDD-IVZWLZJFSA-N 1 1 170.300 1.373 10 0 ADAEMO CC(C)[C@H](C)[NH2+]C[C@@H]1CCN(C)C1 37484683 572159332 /nfs/dbraw/zinc/15/93/32/572159332.db2.gz AUPZRFDKKOFRET-QWRGUYRKSA-N 1 1 184.327 1.572 10 0 ADAEMO CC[C@@H](C)C[NH2+]C[C@H]1CCN(C)C1 37484778 572159363 /nfs/dbraw/zinc/15/93/63/572159363.db2.gz WKXFQLZANXHIEP-GHMZBOCLSA-N 1 1 184.327 1.574 10 0 ADAEMO CC(C)CC[NH2+]C[C@H]1CCN(C)C1 37484665 572159395 /nfs/dbraw/zinc/15/93/95/572159395.db2.gz ZUYZLQHXVCFGOG-LLVKDONJSA-N 1 1 184.327 1.574 10 0 ADAEMO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCN(C)C1 37484687 572159401 /nfs/dbraw/zinc/15/94/01/572159401.db2.gz ZMOYXOOSSLGVAU-RYUDHWBXSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)[C@@H](C)[NH2+]C[C@H]1CCN(C)C1 37484684 572159460 /nfs/dbraw/zinc/15/94/60/572159460.db2.gz AUPZRFDKKOFRET-GHMZBOCLSA-N 1 1 184.327 1.572 10 0 ADAEMO CCC(CC)[NH2+]C[C@H]1CCN(C)C1 37484703 572159476 /nfs/dbraw/zinc/15/94/76/572159476.db2.gz ZSSKECVDAUTLTK-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@H](C[N@@H+](CC)C[C@@H](C)O)OC 687822136 572159529 /nfs/dbraw/zinc/15/95/29/572159529.db2.gz AMCSDVKNXBDBII-NXEZZACHSA-N 1 1 189.299 1.114 10 0 ADAEMO CCC[C@@H](C)C[NH2+]C[C@@H]1CCN(C)C1 37484750 572159534 /nfs/dbraw/zinc/15/95/34/572159534.db2.gz FCMYZAMACUVBML-NEPJUHHUSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@H](O)Cc1cc[nH+]c(N)c1 69941933 572160462 /nfs/dbraw/zinc/16/04/62/572160462.db2.gz SRHQEICLTBPHGP-VIFPVBQESA-N 1 1 180.251 1.367 10 0 ADAEMO CC[C@H](C)[C@H]([NH3+])Cc1cnccc1N 69941571 572159603 /nfs/dbraw/zinc/15/96/03/572159603.db2.gz IIUDWSWFLCYROR-GZMMTYOYSA-N 1 1 193.294 1.580 10 0 ADAEMO COc1ccccc1[C@@H]1[NH2+][C@H](C)CO1 71506276 572159640 /nfs/dbraw/zinc/15/96/40/572159640.db2.gz WKDINDBWJOOYRL-LDYMZIIASA-N 1 1 193.246 1.702 10 0 ADAEMO Cc1nc(C[NH2+]C[C@H](C)C2CC2)no1 235155812 572159641 /nfs/dbraw/zinc/15/96/41/572159641.db2.gz OYWGWIBNEJAFNU-ZETCQYMHSA-N 1 1 195.266 1.514 10 0 ADAEMO C[N@H+]1CC[C@@H](CNCc2ccco2)C1 37484647 572159679 /nfs/dbraw/zinc/15/96/79/572159679.db2.gz HIWSYPRXWFBAOA-JTQLQIEISA-N 1 1 194.278 1.321 10 0 ADAEMO CC[C@@H]([NH2+]C[C@@H]1CCN(C)C1)C(C)C 37484849 572159714 /nfs/dbraw/zinc/15/97/14/572159714.db2.gz KGHLIWYHXYSGGI-NWDGAFQWSA-N 1 1 198.354 1.962 10 0 ADAEMO CCC[NH2+]C[C@@H]1CCN(C2CC2)C1 37485321 572160069 /nfs/dbraw/zinc/16/00/69/572160069.db2.gz VTKPIRPDGZHXQJ-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CC(C)C[C@@H](O)Cc1cc[nH+]c(N)c1 69941939 572159765 /nfs/dbraw/zinc/15/97/65/572159765.db2.gz NPHOUNYAPUGIJE-SNVBAGLBSA-N 1 1 194.278 1.613 10 0 ADAEMO CCC[C@H](C)C[NH2+]C[C@H]1CCN(C)C1 37484753 572159864 /nfs/dbraw/zinc/15/98/64/572159864.db2.gz FCMYZAMACUVBML-NWDGAFQWSA-N 1 1 198.354 1.964 10 0 ADAEMO CC[C@@H]1C[C@@H]1NCC(C)(C)[NH2+]C 300390522 572159872 /nfs/dbraw/zinc/15/98/72/572159872.db2.gz UJIOVOFBIQNNJB-BDAKNGLRSA-N 1 1 170.300 1.373 10 0 ADAEMO CC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)NC 300390522 572159875 /nfs/dbraw/zinc/15/98/75/572159875.db2.gz UJIOVOFBIQNNJB-BDAKNGLRSA-N 1 1 170.300 1.373 10 0 ADAEMO C[N@H+]1CC[C@H](CNCC(F)(F)F)C1 37485060 572159891 /nfs/dbraw/zinc/15/98/91/572159891.db2.gz RUSKRSCCNRCOAZ-SSDOTTSWSA-N 1 1 196.216 1.090 10 0 ADAEMO CC[C@@H](C[N@@H+](CC)C[C@H](C)O)OC 687822137 572159931 /nfs/dbraw/zinc/15/99/31/572159931.db2.gz AMCSDVKNXBDBII-UWVGGRQHSA-N 1 1 189.299 1.114 10 0 ADAEMO CC(C)C[C@@H]([NH3+])Cc1cnccc1N 69941448 572159981 /nfs/dbraw/zinc/15/99/81/572159981.db2.gz PWNVXCJWFIUOJH-SNVBAGLBSA-N 1 1 193.294 1.580 10 0 ADAEMO CCCC[C@@H](O)Cc1cc[nH+]c(N)c1 69941961 572160004 /nfs/dbraw/zinc/16/00/04/572160004.db2.gz SNZQFIMMEXNYCW-SNVBAGLBSA-N 1 1 194.278 1.757 10 0 ADAEMO CC[C@H](C)[C@@H](O)Cc1cc[nH+]c(N)c1 69941904 572160024 /nfs/dbraw/zinc/16/00/24/572160024.db2.gz NOVXABUIEXVHKV-WPRPVWTQSA-N 1 1 194.278 1.613 10 0 ADAEMO CC[C@@H](C)[C@@H](O)Cc1cc[nH+]c(N)c1 69941902 572160048 /nfs/dbraw/zinc/16/00/48/572160048.db2.gz NOVXABUIEXVHKV-SCZZXKLOSA-N 1 1 194.278 1.613 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)NC 300391836 572160053 /nfs/dbraw/zinc/16/00/53/572160053.db2.gz VXOYCEIYEXSSDD-AEJSXWLSSA-N 1 1 170.300 1.373 10 0 ADAEMO COc1ccccc1[C@H]1[NH2+][C@H](C)CO1 71506278 572160100 /nfs/dbraw/zinc/16/01/00/572160100.db2.gz WKDINDBWJOOYRL-KCJUWKMLSA-N 1 1 193.246 1.702 10 0 ADAEMO CC[C@H](C[N@@H+](CC)C[C@H](C)O)OC 687822138 572160109 /nfs/dbraw/zinc/16/01/09/572160109.db2.gz AMCSDVKNXBDBII-VHSXEESVSA-N 1 1 189.299 1.114 10 0 ADAEMO C[N@H+]1CC[C@@H](CNCC(F)(F)F)C1 37485061 572160110 /nfs/dbraw/zinc/16/01/10/572160110.db2.gz RUSKRSCCNRCOAZ-ZETCQYMHSA-N 1 1 196.216 1.090 10 0 ADAEMO COc1ccccc1[C@@H]1[NH2+]C[C@H](C)O1 71506275 572160134 /nfs/dbraw/zinc/16/01/34/572160134.db2.gz IGTUOBRBSPFAFH-GZMMTYOYSA-N 1 1 193.246 1.702 10 0 ADAEMO COc1ccccc1[C@H]1[NH2+]C[C@H](C)O1 71506273 572160473 /nfs/dbraw/zinc/16/04/73/572160473.db2.gz IGTUOBRBSPFAFH-KWQFWETISA-N 1 1 193.246 1.702 10 0 ADAEMO CCOc1ccc(C(=O)C[NH3+])cc1C 71506331 572160160 /nfs/dbraw/zinc/16/01/60/572160160.db2.gz ULRXSURVWORIQL-UHFFFAOYSA-N 1 1 193.246 1.535 10 0 ADAEMO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCN(C)C1 37484682 572160241 /nfs/dbraw/zinc/16/02/41/572160241.db2.gz AUPZRFDKKOFRET-MNOVXSKESA-N 1 1 184.327 1.572 10 0 ADAEMO CC[C@@H](C)[C@@H]([NH3+])Cc1cnccc1N 69941572 572160277 /nfs/dbraw/zinc/16/02/77/572160277.db2.gz IIUDWSWFLCYROR-KCJUWKMLSA-N 1 1 193.294 1.580 10 0 ADAEMO CC[C@@H](C[N@@H+](CC)C[C@@H](C)O)OC 687822139 572160318 /nfs/dbraw/zinc/16/03/18/572160318.db2.gz AMCSDVKNXBDBII-ZJUUUORDSA-N 1 1 189.299 1.114 10 0 ADAEMO CCC[C@H](C)C[NH2+]C[C@@H]1CCN(C)C1 37484751 572160334 /nfs/dbraw/zinc/16/03/34/572160334.db2.gz FCMYZAMACUVBML-RYUDHWBXSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC(CC)C[NH2+]C[C@H]1CCN(C)C1 37484659 572160390 /nfs/dbraw/zinc/16/03/90/572160390.db2.gz OFTOHTSTRTXUAQ-GFCCVEGCSA-N 1 1 198.354 1.964 10 0 ADAEMO COCC[C@H](O)c1cc(C)c[nH+]c1N 69942943 572160412 /nfs/dbraw/zinc/16/04/12/572160412.db2.gz KMCGPLCRXAGWNK-VIFPVBQESA-N 1 1 196.250 1.042 10 0 ADAEMO CC(C)C[C@H](O)Cc1cc[nH+]c(N)c1 69941938 572160529 /nfs/dbraw/zinc/16/05/29/572160529.db2.gz NPHOUNYAPUGIJE-JTQLQIEISA-N 1 1 194.278 1.613 10 0 ADAEMO C[C@H]([NH2+]C[C@H]1CCN(C)C1)C1CC1 37484706 572160603 /nfs/dbraw/zinc/16/06/03/572160603.db2.gz MFZXGBRUQZQVMM-VHSXEESVSA-N 1 1 182.311 1.326 10 0 ADAEMO CCC(CC)[NH2+]C[C@@H]1CCN(C)C1 37484702 572160626 /nfs/dbraw/zinc/16/06/26/572160626.db2.gz ZSSKECVDAUTLTK-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO COCC[C@@H](O)c1c(C)cc[nH+]c1N 69942102 572160629 /nfs/dbraw/zinc/16/06/29/572160629.db2.gz NQERJLVNNYPJKP-MRVPVSSYSA-N 1 1 196.250 1.042 10 0 ADAEMO COCC[C@H](O)c1c(C)cc[nH+]c1N 69942103 572160665 /nfs/dbraw/zinc/16/06/65/572160665.db2.gz NQERJLVNNYPJKP-QMMMGPOBSA-N 1 1 196.250 1.042 10 0 ADAEMO CCc1cc(C(=O)C[NH3+])ccc1OC 71506329 572160668 /nfs/dbraw/zinc/16/06/68/572160668.db2.gz YQLTYOURBLGIAF-UHFFFAOYSA-N 1 1 193.246 1.399 10 0 ADAEMO CCCCC[NH2+]C[C@H]1CCN(C)C1 37484759 572160714 /nfs/dbraw/zinc/16/07/14/572160714.db2.gz ULDFNDAWEBQVQL-LLVKDONJSA-N 1 1 184.327 1.718 10 0 ADAEMO CCC(O)(CC)Cc1cc[nH+]c(N)c1 69941724 572160759 /nfs/dbraw/zinc/16/07/59/572160759.db2.gz GGUJBVYMDBPCHL-UHFFFAOYSA-N 1 1 194.278 1.757 10 0 ADAEMO CC[C@@H]1C[C@H]1[NH2+]C[C@H](N)C(C)C 300390579 572160825 /nfs/dbraw/zinc/16/08/25/572160825.db2.gz UPVSMVUMPTWXAK-KXUCPTDWSA-N 1 1 170.300 1.358 10 0 ADAEMO CCCC[C@H](O)Cc1cc[nH+]c(N)c1 69941960 572160867 /nfs/dbraw/zinc/16/08/67/572160867.db2.gz SNZQFIMMEXNYCW-JTQLQIEISA-N 1 1 194.278 1.757 10 0 ADAEMO CCC[C@H](N)C[NH2+][C@H]1C[C@H]1CC 300389963 572160871 /nfs/dbraw/zinc/16/08/71/572160871.db2.gz SPCRYZXZVXOHSI-UTLUCORTSA-N 1 1 170.300 1.502 10 0 ADAEMO CC(C)CC[NH2+]C[C@@H]1CCN(C)C1 37484664 572160885 /nfs/dbraw/zinc/16/08/85/572160885.db2.gz ZUYZLQHXVCFGOG-NSHDSACASA-N 1 1 184.327 1.574 10 0 ADAEMO C[C@H]([NH2+]C[C@H]1CCN(C)C1)C1(C)CC1 37484792 572160912 /nfs/dbraw/zinc/16/09/12/572160912.db2.gz FPGLFCNFWSUZFP-WDEREUQCSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCN(C)C1 37484763 572160968 /nfs/dbraw/zinc/16/09/68/572160968.db2.gz KHERWNADTWOMFG-SRVKXCTJSA-N 1 1 198.354 1.962 10 0 ADAEMO CCCC[C@H](N)C[NH2+][C@H]1C[C@H]1CC 300390974 572160976 /nfs/dbraw/zinc/16/09/76/572160976.db2.gz VAMYNHTZLSJUPU-VWYCJHECSA-N 1 1 184.327 1.892 10 0 ADAEMO CCC[C@H](N)C[NH2+][C@@H]1C[C@H]1CC 300389962 572161031 /nfs/dbraw/zinc/16/10/31/572161031.db2.gz SPCRYZXZVXOHSI-KXUCPTDWSA-N 1 1 170.300 1.502 10 0 ADAEMO CC[C@@H](C)[C@H](O)Cc1cc[nH+]c(N)c1 69941900 572161071 /nfs/dbraw/zinc/16/10/71/572161071.db2.gz NOVXABUIEXVHKV-PSASIEDQSA-N 1 1 194.278 1.613 10 0 ADAEMO CCC[C@@H](O)Cc1cc[nH+]c(N)c1 69941934 572161089 /nfs/dbraw/zinc/16/10/89/572161089.db2.gz SRHQEICLTBPHGP-SECBINFHSA-N 1 1 180.251 1.367 10 0 ADAEMO CC(C)C[C@H]([NH3+])Cc1cnccc1N 69941447 572161359 /nfs/dbraw/zinc/16/13/59/572161359.db2.gz PWNVXCJWFIUOJH-JTQLQIEISA-N 1 1 193.294 1.580 10 0 ADAEMO COCC[C@@H](O)c1cc(C)c[nH+]c1N 69942941 572161417 /nfs/dbraw/zinc/16/14/17/572161417.db2.gz KMCGPLCRXAGWNK-SECBINFHSA-N 1 1 196.250 1.042 10 0 ADAEMO COc1ccccc1[C@@H]1[NH2+][C@@H](C)CO1 71506277 572161436 /nfs/dbraw/zinc/16/14/36/572161436.db2.gz WKDINDBWJOOYRL-GZMMTYOYSA-N 1 1 193.246 1.702 10 0 ADAEMO CCC(CC)[N@@H+](C)C[C@H](C)N 37504846 572161614 /nfs/dbraw/zinc/16/16/14/572161614.db2.gz FRGGYHQVHUVLCX-QMMMGPOBSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[C@H]([NH3+])Cc1cnccc1N 69941457 572161615 /nfs/dbraw/zinc/16/16/15/572161615.db2.gz VMYLXSLNRNHVRY-VIFPVBQESA-N 1 1 179.267 1.334 10 0 ADAEMO CCC(CC)N(C)C[C@H](C)[NH3+] 37504846 572161618 /nfs/dbraw/zinc/16/16/18/572161618.db2.gz FRGGYHQVHUVLCX-QMMMGPOBSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[C@H](C)[NH2+]C[C@@H]1CCN(C)C1 37484552 572161685 /nfs/dbraw/zinc/16/16/85/572161685.db2.gz 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/nfs/dbraw/zinc/17/81/81/572178181.db2.gz MAGNWWKBNGTWBW-GFCCVEGCSA-N 1 1 196.338 1.716 10 0 ADAEMO CCCC[N@H+]1CCNC[C@]1(C)C1CC1 82927463 572178195 /nfs/dbraw/zinc/17/81/95/572178195.db2.gz YXBQTJWNNYEENY-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H](C)C[N@H+]1CCN[C@H](C2CC2)C1 82925568 572178209 /nfs/dbraw/zinc/17/82/09/572178209.db2.gz DKTLTTAVQDMEDD-PWSUYJOCSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[C@@H](C)CN1CC[NH2+][C@H](C2CC2)C1 82925568 572178211 /nfs/dbraw/zinc/17/82/11/572178211.db2.gz DKTLTTAVQDMEDD-PWSUYJOCSA-N 1 1 196.338 1.716 10 0 ADAEMO CCC[C@H](C)[NH2+][C@]1(C)CCOC1=O 388666973 572178222 /nfs/dbraw/zinc/17/82/22/572178222.db2.gz WWJDXBDAHLEWTN-WCBMZHEXSA-N 1 1 185.267 1.470 10 0 ADAEMO CCC[N@@H+]1CCN[C@H](CC(C)C)C1 82925718 572178238 /nfs/dbraw/zinc/17/82/38/572178238.db2.gz CEWAPECSTNUDSE-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[N@H+]1CCN[C@H](CC(C)C)C1 82925718 572178244 /nfs/dbraw/zinc/17/82/44/572178244.db2.gz CEWAPECSTNUDSE-LLVKDONJSA-N 1 1 184.327 1.716 10 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10 0 ADAEMO CC[C@H](C)CN1CC[NH2+][C@H](C2CC2)C1 82925571 572178462 /nfs/dbraw/zinc/17/84/62/572178462.db2.gz DKTLTTAVQDMEDD-JQWIXIFHSA-N 1 1 196.338 1.716 10 0 ADAEMO CCC[N@H+]1CCNC[C@@H]1[C@@H](C)CC 82934637 572178473 /nfs/dbraw/zinc/17/84/73/572178473.db2.gz YYVCNHUPZBSTNU-WDEREUQCSA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[C@@H]1C[N@@H+](CC)[C@H](CC)CN1 82935651 572178479 /nfs/dbraw/zinc/17/84/79/572178479.db2.gz POPDNGINEPEKRL-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@@H]1CN(CC)[C@H](CC)C[NH2+]1 82935651 572178483 /nfs/dbraw/zinc/17/84/83/572178483.db2.gz POPDNGINEPEKRL-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@H]1C[N@H+](CCC)CCN1 82925261 572178502 /nfs/dbraw/zinc/17/85/02/572178502.db2.gz QMZJURKVXCIITF-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CCC[C@H]1C[N@@H+](CCC)CCN1 82925261 572178504 /nfs/dbraw/zinc/17/85/04/572178504.db2.gz QMZJURKVXCIITF-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCN 70074893 572179824 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CN[C@H](C)[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 43804851 572218504 /nfs/dbraw/zinc/21/85/04/572218504.db2.gz VKADBSIRTBLRKV-YFKTTZPYSA-N 1 1 198.354 1.961 10 0 ADAEMO C[N@@H+]1CCCc2ccccc2[C@H]1CN 20418122 572218626 /nfs/dbraw/zinc/21/86/26/572218626.db2.gz NMPIPVQNGZLFDC-GFCCVEGCSA-N 1 1 190.290 1.564 10 0 ADAEMO C[N@H+]1CCCc2ccccc2[C@H]1CN 20418122 572218628 /nfs/dbraw/zinc/21/86/28/572218628.db2.gz NMPIPVQNGZLFDC-GFCCVEGCSA-N 1 1 190.290 1.564 10 0 ADAEMO CC[C@H]1CC[N@@H+](C2(CN)CC2)C1 234106006 572218640 /nfs/dbraw/zinc/21/86/40/572218640.db2.gz RQEZTJPPBDXSGW-VIFPVBQESA-N 1 1 168.284 1.210 10 0 ADAEMO CC[C@H]1CC[N@H+](C2(CN)CC2)C1 234106006 572218643 /nfs/dbraw/zinc/21/86/43/572218643.db2.gz RQEZTJPPBDXSGW-VIFPVBQESA-N 1 1 168.284 1.210 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(NCCC2CC2)o1 235198439 572218694 /nfs/dbraw/zinc/21/86/94/572218694.db2.gz GYLBMQZXZWWCHX-ZCFIWIBFSA-N 1 1 196.254 1.301 10 0 ADAEMO Cc1ccc2oc(C(=O)C[NH3+])cc2c1 20389947 572218716 /nfs/dbraw/zinc/21/87/16/572218716.db2.gz MMCFBZXIAMTVLJ-UHFFFAOYSA-N 1 1 189.214 1.883 10 0 ADAEMO CC(C)[N@@H+](C)C[C@@H](C)C(N)=S 36677736 572218762 /nfs/dbraw/zinc/21/87/62/572218762.db2.gz VUQHUIXAEXDRSZ-SSDOTTSWSA-N 1 1 174.313 1.249 10 0 ADAEMO CNc1cc(C)[nH+]c(CCCOC)n1 83440672 572219029 /nfs/dbraw/zinc/21/90/29/572219029.db2.gz MGJXWDOTEKVLCI-UHFFFAOYSA-N 1 1 195.266 1.406 10 0 ADAEMO CCC[NH+](CCC)C[C@@H](C)NC 43814675 572219131 /nfs/dbraw/zinc/21/91/31/572219131.db2.gz PGDMAKUAGBKJRW-SNVBAGLBSA-N 1 1 172.316 1.716 10 0 ADAEMO CCC(CC)[N@@H+](C)Cc1cn(C)nn1 687796797 572219143 /nfs/dbraw/zinc/21/91/43/572219143.db2.gz ILGKWMMPAUHZGB-UHFFFAOYSA-N 1 1 196.298 1.436 10 0 ADAEMO Cc1cccc2cc(C(=O)C[NH3+])oc12 20389906 572219150 /nfs/dbraw/zinc/21/91/50/572219150.db2.gz HMNYTAGXMKKPSR-UHFFFAOYSA-N 1 1 189.214 1.883 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCc2[nH]nc(N)c2C1 20386711 572219303 /nfs/dbraw/zinc/21/93/03/572219303.db2.gz RDLDZZUXFIHSCT-SSDOTTSWSA-N 1 1 194.282 1.149 10 0 ADAEMO CC[C@H]1OCC[C@@H]1c1cnc(C[NH3+])o1 234104885 572219586 /nfs/dbraw/zinc/21/95/86/572219586.db2.gz YKYIKHZFWZEFDB-JGVFFNPUSA-N 1 1 196.250 1.416 10 0 ADAEMO C[N@@H+]1CCCc2ccccc2[C@@H]1CN 20418120 572219616 /nfs/dbraw/zinc/21/96/16/572219616.db2.gz NMPIPVQNGZLFDC-LBPRGKRZSA-N 1 1 190.290 1.564 10 0 ADAEMO C[N@H+]1CCCc2ccccc2[C@@H]1CN 20418120 572219619 /nfs/dbraw/zinc/21/96/19/572219619.db2.gz NMPIPVQNGZLFDC-LBPRGKRZSA-N 1 1 190.290 1.564 10 0 ADAEMO CC(C)(C)OC1C[NH+]([C@@H]2CC[C@H]2O)C1 687923565 572219697 /nfs/dbraw/zinc/21/96/97/572219697.db2.gz SKJNXDFMBFMQGV-NXEZZACHSA-N 1 1 199.294 1.009 10 0 ADAEMO CC[C@H](C)[C@@H]1C[N@H+]2CCC[C@@H]2CN1 207388913 572219824 /nfs/dbraw/zinc/21/98/24/572219824.db2.gz JMQDRGNCGUJLPY-AXFHLTTASA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[N@@H+](C)C[C@H](C)C(N)=S 36677737 572220019 /nfs/dbraw/zinc/22/00/19/572220019.db2.gz VUQHUIXAEXDRSZ-ZETCQYMHSA-N 1 1 174.313 1.249 10 0 ADAEMO C[C@H](O)[C@@H]([NH3+])c1nc2ccccc2o1 20376054 572220116 /nfs/dbraw/zinc/22/01/16/572220116.db2.gz ADYVFCIDDNFXLE-IMTBSYHQSA-N 1 1 192.218 1.208 10 0 ADAEMO C[C@H](O)[C@H]([NH3+])c1nc2ccccc2o1 20376061 572220299 /nfs/dbraw/zinc/22/02/99/572220299.db2.gz ADYVFCIDDNFXLE-RCOVLWMOSA-N 1 1 192.218 1.208 10 0 ADAEMO COC(=O)C[NH2+][C@H]1CCC[C@H](C)CC1 83427057 572220358 /nfs/dbraw/zinc/22/03/58/572220358.db2.gz CAPNVENUUGHBTQ-UWVGGRQHSA-N 1 1 199.294 1.718 10 0 ADAEMO CCC(CC)[N@@H+](C)CCN 36788582 572220386 /nfs/dbraw/zinc/22/03/86/572220386.db2.gz TXNDBIYRVZUDJL-UHFFFAOYSA-N 1 1 144.262 1.066 10 0 ADAEMO CCC(CC)N(C)CC[NH3+] 36788582 572220387 /nfs/dbraw/zinc/22/03/87/572220387.db2.gz TXNDBIYRVZUDJL-UHFFFAOYSA-N 1 1 144.262 1.066 10 0 ADAEMO CC[C@H](C)[N@H+]1CCc2[nH]nc(N)c2C1 20386717 572220402 /nfs/dbraw/zinc/22/04/02/572220402.db2.gz RDLDZZUXFIHSCT-ZETCQYMHSA-N 1 1 194.282 1.149 10 0 ADAEMO CC(C)[C@H](C)[N@H+](C)C1CCNCC1 36787486 572220442 /nfs/dbraw/zinc/22/04/42/572220442.db2.gz UIJWBCHKDSEMAB-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)C1CCNCC1 36787486 572220444 /nfs/dbraw/zinc/22/04/44/572220444.db2.gz UIJWBCHKDSEMAB-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)CC(N)=S 36787392 572220427 /nfs/dbraw/zinc/22/04/27/572220427.db2.gz PAOPZKSBSLLDTH-ZETCQYMHSA-N 1 1 174.313 1.249 10 0 ADAEMO COC(=O)C[NH2+][C@H]1CCC[C@@H](C)CC1 83427056 572220515 /nfs/dbraw/zinc/22/05/15/572220515.db2.gz CAPNVENUUGHBTQ-ZJUUUORDSA-N 1 1 199.294 1.718 10 0 ADAEMO COC(=O)C[NH2+][C@@H]1CCC[C@@H](C)CC1 83427058 572220628 /nfs/dbraw/zinc/22/06/28/572220628.db2.gz CAPNVENUUGHBTQ-NXEZZACHSA-N 1 1 199.294 1.718 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCCC[C@@H]1N 36785119 572220676 /nfs/dbraw/zinc/22/06/76/572220676.db2.gz GWOCFFRHMGDPAR-ADEWGFFLSA-N 1 1 196.338 1.987 10 0 ADAEMO COC(=O)C[NH2+][C@@H]1CCC[C@H](C)CC1 83427059 572220750 /nfs/dbraw/zinc/22/07/50/572220750.db2.gz CAPNVENUUGHBTQ-VHSXEESVSA-N 1 1 199.294 1.718 10 0 ADAEMO CC(C)[N@H+](C)Cc1csc(N)n1 36732527 572220772 /nfs/dbraw/zinc/22/07/72/572220772.db2.gz UTEIIWKZAKALBH-UHFFFAOYSA-N 1 1 185.296 1.566 10 0 ADAEMO CC(C)[N@@H+](C)Cc1csc(N)n1 36732527 572220776 /nfs/dbraw/zinc/22/07/76/572220776.db2.gz UTEIIWKZAKALBH-UHFFFAOYSA-N 1 1 185.296 1.566 10 0 ADAEMO Cc1cccc([C@H]([NH3+])c2ncon2)c1 36762034 572220920 /nfs/dbraw/zinc/22/09/20/572220920.db2.gz LMNSVZLNRUSXCI-VIFPVBQESA-N 1 1 189.218 1.426 10 0 ADAEMO CC(C)[C@H](C)[N@H+](C)[C@@H]1CCCNC1 36787484 572220942 /nfs/dbraw/zinc/22/09/42/572220942.db2.gz FYBLSEJJQATYNE-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCNC1 36787484 572220943 /nfs/dbraw/zinc/22/09/43/572220943.db2.gz FYBLSEJJQATYNE-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)CN 36786885 572220976 /nfs/dbraw/zinc/22/09/76/572220976.db2.gz ITRWDQPRPXCWTQ-DTWKUNHWSA-N 1 1 158.289 1.310 10 0 ADAEMO C/C=C/C[N@H+]1CCNC[C@@]1(C)CC 234116016 572221046 /nfs/dbraw/zinc/22/10/46/572221046.db2.gz IERMVJLRYNEGIF-DUMNWFOQSA-N 1 1 182.311 1.636 10 0 ADAEMO C/C=C/C[N@@H+]1CCNC[C@@]1(C)CC 234116016 572221049 /nfs/dbraw/zinc/22/10/49/572221049.db2.gz IERMVJLRYNEGIF-DUMNWFOQSA-N 1 1 182.311 1.636 10 0 ADAEMO CC[C@H]1CC[N@H+](CC2(C)CC2)CCN1 234110415 572221177 /nfs/dbraw/zinc/22/11/77/572221177.db2.gz JYYFTOSAOQWGAT-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1CC[N@@H+](CC2(C)CC2)CCN1 234110415 572221182 /nfs/dbraw/zinc/22/11/82/572221182.db2.gz JYYFTOSAOQWGAT-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CC[N@H+]1CCNCC12CCCC2 20439951 572221286 /nfs/dbraw/zinc/22/12/86/572221286.db2.gz PVAMMZOGUNKHFX-UHFFFAOYSA-N 1 1 168.284 1.224 10 0 ADAEMO CCN1CC[NH2+]CC12CCCC2 20439951 572221290 /nfs/dbraw/zinc/22/12/90/572221290.db2.gz PVAMMZOGUNKHFX-UHFFFAOYSA-N 1 1 168.284 1.224 10 0 ADAEMO CC(C)[C@@H](C)[N@H+](C)[C@@H]1CCCNC1 36787483 572221327 /nfs/dbraw/zinc/22/13/27/572221327.db2.gz FYBLSEJJQATYNE-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCCNC1 36787483 572221330 /nfs/dbraw/zinc/22/13/30/572221330.db2.gz FYBLSEJJQATYNE-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H]1CCCN(C2(C[NH3+])CC2)CC1 234109046 572221976 /nfs/dbraw/zinc/22/19/76/572221976.db2.gz DHUOANCRZCGUPW-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO CC[C@H]1C[N@@H+](CC2(C)CC2)[C@@H](C)CN1 234117176 572221370 /nfs/dbraw/zinc/22/13/70/572221370.db2.gz SCRQPZONQOWVMI-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H]1CN(CC2(C)CC2)[C@@H](C)C[NH2+]1 234117176 572221373 /nfs/dbraw/zinc/22/13/73/572221373.db2.gz SCRQPZONQOWVMI-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CSC[C@@H]1CCC[N@H+]1[C@H](C)CO 400065914 572226121 /nfs/dbraw/zinc/22/61/21/572226121.db2.gz DANUGQJVUSPUOA-BDAKNGLRSA-N 1 1 189.324 1.195 10 0 ADAEMO O=Cc1cccc(C[NH+]2CCCC2)n1 20441869 572222964 /nfs/dbraw/zinc/22/29/64/572222964.db2.gz DICWBNGTRSLZHL-UHFFFAOYSA-N 1 1 190.246 1.490 10 0 ADAEMO CCOCCc1ccc[nH+]c1N 70318432 572221650 /nfs/dbraw/zinc/22/16/50/572221650.db2.gz UMDOGKMJCXNSAK-UHFFFAOYSA-N 1 1 166.224 1.243 10 0 ADAEMO CC[C@H]1C[N@@H+](CC2(C)CCC2)CCN1 234117247 572221658 /nfs/dbraw/zinc/22/16/58/572221658.db2.gz DCOWOZLHQUBUJW-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1CN(CC2(C)CCC2)CC[NH2+]1 234117247 572221660 /nfs/dbraw/zinc/22/16/60/572221660.db2.gz DCOWOZLHQUBUJW-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)([NH3+])c1nc2ccc(F)cc2[nH]1 20440818 572221698 /nfs/dbraw/zinc/22/16/98/572221698.db2.gz OAAUYRRXXMKMGE-UHFFFAOYSA-N 1 1 193.225 1.896 10 0 ADAEMO CC[C@H](N)C[N@H+](C)C(C)C 36871985 572227173 /nfs/dbraw/zinc/22/71/73/572227173.db2.gz LDEDXQSFWVIFQG-QMMMGPOBSA-N 1 1 144.262 1.064 10 0 ADAEMO CC[C@H]1CC[N@@H+](C2CCC2)[C@@H](CN)C1 234106767 572221843 /nfs/dbraw/zinc/22/18/43/572221843.db2.gz FKXBPEZETPNUPC-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H]1CCN(C2CCC2)[C@@H](C[NH3+])C1 234106767 572221844 /nfs/dbraw/zinc/22/18/44/572221844.db2.gz FKXBPEZETPNUPC-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1nc(C[NH2+]CC(C)(C)O)oc1C 83465187 572221848 /nfs/dbraw/zinc/22/18/48/572221848.db2.gz KSBZSPRMAKUJRV-UHFFFAOYSA-N 1 1 198.266 1.152 10 0 ADAEMO CC[C@H]1C[N@@H+](CC2(C)CC2)CCCN1 234117101 572221955 /nfs/dbraw/zinc/22/19/55/572221955.db2.gz CDCBMPDKCXDOCN-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1CN(CC2(C)CC2)CCC[NH2+]1 234117101 572221958 /nfs/dbraw/zinc/22/19/58/572221958.db2.gz CDCBMPDKCXDOCN-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1CCC[N@H+](C2(CN)CC2)CC1 234109046 572221973 /nfs/dbraw/zinc/22/19/73/572221973.db2.gz DHUOANCRZCGUPW-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO C[N@H+]1CC[C@@H](N)C1(C1CC1)C1CC1 711983220 572223799 /nfs/dbraw/zinc/22/37/99/572223799.db2.gz JGRFDHNQXUACPM-SNVBAGLBSA-N 1 1 180.295 1.208 10 0 ADAEMO C[NH2+][C@@H](CN)c1ccc(OC)c(F)c1 83445775 572222151 /nfs/dbraw/zinc/22/21/51/572222151.db2.gz SCWISAXGGJBIHY-VIFPVBQESA-N 1 1 198.241 1.054 10 0 ADAEMO CC[C@H]1C[N@H+](CC2(C)CC2)CCN1 234117132 572222182 /nfs/dbraw/zinc/22/21/82/572222182.db2.gz JYRJIKXJVOWSSN-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@H]1C[N@@H+](CC2(C)CC2)CCN1 234117132 572222184 /nfs/dbraw/zinc/22/21/84/572222184.db2.gz JYRJIKXJVOWSSN-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@@H]1N 36785211 572222301 /nfs/dbraw/zinc/22/23/01/572222301.db2.gz UYGFERHPXMSJLO-DVVUODLYSA-N 1 1 182.311 1.597 10 0 ADAEMO CSC[C@H]1CCC[N@H+]1[C@@H](C)CO 400065915 572223817 /nfs/dbraw/zinc/22/38/17/572223817.db2.gz DANUGQJVUSPUOA-DTWKUNHWSA-N 1 1 189.324 1.195 10 0 ADAEMO O=C1CC[N@H+](C2CC2)[C@H]1C1CCCC1 711974676 572222336 /nfs/dbraw/zinc/22/23/36/572222336.db2.gz SZOYXNCDSOFTIL-LBPRGKRZSA-N 1 1 193.290 1.982 10 0 ADAEMO O=C1CC[N@@H+](C2CC2)[C@H]1C1CCCC1 711974676 572222338 /nfs/dbraw/zinc/22/23/38/572222338.db2.gz SZOYXNCDSOFTIL-LBPRGKRZSA-N 1 1 193.290 1.982 10 0 ADAEMO CC(C)[C@@H](C)[N@H+](C)C1CCNCC1 36787485 572222343 /nfs/dbraw/zinc/22/23/43/572222343.db2.gz UIJWBCHKDSEMAB-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+](C)C1CCNCC1 36787485 572222344 /nfs/dbraw/zinc/22/23/44/572222344.db2.gz UIJWBCHKDSEMAB-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H](C1CC1)N(C)c1[nH+]cccc1N 36783270 572222397 /nfs/dbraw/zinc/22/23/97/572222397.db2.gz DPNPLSDBZJPSBQ-MRVPVSSYSA-N 1 1 191.278 1.899 10 0 ADAEMO C[C@H]1C[C@@H](CNCC(F)F)CC[NH2+]1 235672574 572222401 /nfs/dbraw/zinc/22/24/01/572222401.db2.gz FJAJVOVSCBGMHB-YUMQZZPRSA-N 1 1 192.253 1.229 10 0 ADAEMO C[NH2+][C@H](CN)c1ccc(OC)c(F)c1 83445778 572222410 /nfs/dbraw/zinc/22/24/10/572222410.db2.gz SCWISAXGGJBIHY-SECBINFHSA-N 1 1 198.241 1.054 10 0 ADAEMO COCCCc1ccc[nH+]c1N 70318425 572222650 /nfs/dbraw/zinc/22/26/50/572222650.db2.gz SUYISEFNLALREC-UHFFFAOYSA-N 1 1 166.224 1.243 10 0 ADAEMO Cc1cccc([C@@H]([NH3+])c2ncon2)c1 36762035 572222759 /nfs/dbraw/zinc/22/27/59/572222759.db2.gz LMNSVZLNRUSXCI-SECBINFHSA-N 1 1 189.218 1.426 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](C)CN 36786886 572222843 /nfs/dbraw/zinc/22/28/43/572222843.db2.gz ITRWDQPRPXCWTQ-IUCAKERBSA-N 1 1 158.289 1.310 10 0 ADAEMO C[C@@H](CC[NH3+])CCNCC(F)F 393364749 572222924 /nfs/dbraw/zinc/22/29/24/572222924.db2.gz BDUIJELXBIKYNS-ZETCQYMHSA-N 1 1 180.242 1.216 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+](C)CC(N)=S 36787391 572222988 /nfs/dbraw/zinc/22/29/88/572222988.db2.gz PAOPZKSBSLLDTH-SSDOTTSWSA-N 1 1 174.313 1.249 10 0 ADAEMO C[C@H](CC[NH3+])CCNCC(F)F 393364747 572223133 /nfs/dbraw/zinc/22/31/33/572223133.db2.gz BDUIJELXBIKYNS-SSDOTTSWSA-N 1 1 180.242 1.216 10 0 ADAEMO Cc1ccc([C@@H]([NH3+])c2ncon2)cc1 36762078 572223123 /nfs/dbraw/zinc/22/31/23/572223123.db2.gz OLMVUNNUXOKIKE-SECBINFHSA-N 1 1 189.218 1.426 10 0 ADAEMO CCC[N@H+]1CCNCC12CCCC2 20439955 572223313 /nfs/dbraw/zinc/22/33/13/572223313.db2.gz CQFONTMNWHOFNR-UHFFFAOYSA-N 1 1 182.311 1.614 10 0 ADAEMO CCCN1CC[NH2+]CC12CCCC2 20439955 572223317 /nfs/dbraw/zinc/22/33/17/572223317.db2.gz CQFONTMNWHOFNR-UHFFFAOYSA-N 1 1 182.311 1.614 10 0 ADAEMO CC(C)[C@H](C)OCc1noc(C[NH3+])n1 300988701 572223605 /nfs/dbraw/zinc/22/36/05/572223605.db2.gz ZSYIJJWGWRKSIK-ZETCQYMHSA-N 1 1 199.254 1.089 10 0 ADAEMO C[N@H+]1CCC[C@@H]2CC(=O)CC[C@@H]21 39334963 572223680 /nfs/dbraw/zinc/22/36/80/572223680.db2.gz MJLIZEYSJUEQNS-SCZZXKLOSA-N 1 1 167.252 1.450 10 0 ADAEMO Cc1cc(Nc2[nH+]ccn2C)nn1C 300988656 572223701 /nfs/dbraw/zinc/22/37/01/572223701.db2.gz UQMCIMYSDRHMOH-UHFFFAOYSA-N 1 1 191.238 1.206 10 0 ADAEMO CCSCc1noc(C[NH2+]C)n1 83484348 572223808 /nfs/dbraw/zinc/22/38/08/572223808.db2.gz UAJGCHNADAOFPG-UHFFFAOYSA-N 1 1 187.268 1.042 10 0 ADAEMO COC(C)(C)C[N@@H+](C)Cc1ccc[nH]1 687713034 572224019 /nfs/dbraw/zinc/22/40/19/572224019.db2.gz XNJPUWYMEBCKBN-UHFFFAOYSA-N 1 1 196.294 1.872 10 0 ADAEMO CCSCc1noc([C@@H](C)[NH3+])n1 83484230 572224866 /nfs/dbraw/zinc/22/48/66/572224866.db2.gz HHSWQZVPFWJEHD-RXMQYKEDSA-N 1 1 187.268 1.342 10 0 ADAEMO OC1(C[NH2+]CC(F)F)CCCCC1 83466382 572224374 /nfs/dbraw/zinc/22/43/74/572224374.db2.gz QVDWKVVGHSNOGG-UHFFFAOYSA-N 1 1 193.237 1.536 10 0 ADAEMO C[C@H]1C[C@@H](Nc2ncc[nH]2)CC[N@@H+]1C 235676369 572224402 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/nfs/dbraw/zinc/33/24/98/572332498.db2.gz WLYWCGNIZUMZJI-MRVPVSSYSA-N 1 1 196.250 1.636 10 0 ADAEMO CCCOCCc1cnc([C@H](C)[NH3+])o1 83554581 572332508 /nfs/dbraw/zinc/33/25/08/572332508.db2.gz REBDWJDVOBPYQN-QMMMGPOBSA-N 1 1 198.266 1.663 10 0 ADAEMO C/C=C\C[N@@H+](C)CCCCCO 307979388 572332583 /nfs/dbraw/zinc/33/25/83/572332583.db2.gz MGRZMGQNUCSFFN-ARJAWSKDSA-N 1 1 171.284 1.657 10 0 ADAEMO CCCCc1cnc(C[NH2+]C)o1 83555206 572332666 /nfs/dbraw/zinc/33/26/66/572332666.db2.gz LGKNPJXPHSFFAW-UHFFFAOYSA-N 1 1 168.240 1.737 10 0 ADAEMO CCO[C@H]1C[C@@H]1[NH2+]Cc1conc1C 393488106 572332820 /nfs/dbraw/zinc/33/28/20/572332820.db2.gz MFNLPFQEQCSGLV-UWVGGRQHSA-N 1 1 196.250 1.250 10 0 ADAEMO CCO[C@@H]1C[C@@H]1[NH2+]Cc1conc1C 393488109 572332955 /nfs/dbraw/zinc/33/29/55/572332955.db2.gz MFNLPFQEQCSGLV-VHSXEESVSA-N 1 1 196.250 1.250 10 0 ADAEMO CCOCCc1cnc([C@@H](C)[NH3+])o1 83554689 572332714 /nfs/dbraw/zinc/33/27/14/572332714.db2.gz DHVNIFFZXSRXGA-SSDOTTSWSA-N 1 1 184.239 1.273 10 0 ADAEMO CC(C)[C@]1(C)[C@H](C[NH3+])CC[N@H+]1C 107163198 572333345 /nfs/dbraw/zinc/33/33/45/572333345.db2.gz JLCLIQBALPACTR-VHSXEESVSA-N 1 1 170.300 1.312 10 0 ADAEMO CC[NH2+]Cc1ncc(COCC)o1 83555386 572333432 /nfs/dbraw/zinc/33/34/32/572333432.db2.gz XZQUTTBBWBNBMY-UHFFFAOYSA-N 1 1 184.239 1.321 10 0 ADAEMO C[NH2+]Cc1ncc(C[C@@H]2CCCO2)o1 83555247 572333547 /nfs/dbraw/zinc/33/35/47/572333547.db2.gz AZNABWUNFPRQAP-QMMMGPOBSA-N 1 1 196.250 1.116 10 0 ADAEMO C[N@@H+]1CO[C@H]2CCCC[C@@H]2C1 196463630 572333610 /nfs/dbraw/zinc/33/36/10/572333610.db2.gz IXRDFWRZZIGVAD-BDAKNGLRSA-N 1 1 155.241 1.465 10 0 ADAEMO C[N@H+]1CO[C@H]2CCCC[C@@H]2C1 196463630 572333612 /nfs/dbraw/zinc/33/36/12/572333612.db2.gz IXRDFWRZZIGVAD-BDAKNGLRSA-N 1 1 155.241 1.465 10 0 ADAEMO CCOCc1cnc([C@@H](C)[NH3+])o1 83554663 572333696 /nfs/dbraw/zinc/33/36/96/572333696.db2.gz AUNZCQDXCFOHFF-ZCFIWIBFSA-N 1 1 170.212 1.231 10 0 ADAEMO CCOCc1cnc([C@H](C)[NH2+]C)o1 83556268 572334148 /nfs/dbraw/zinc/33/41/48/572334148.db2.gz PJGYPGNSYCZHEL-ZETCQYMHSA-N 1 1 184.239 1.492 10 0 ADAEMO CCC(CC)(CC)OC(=O)[C@H](C)[NH3+] 238205318 572333969 /nfs/dbraw/zinc/33/39/69/572333969.db2.gz WLYBJWXLHYHJDX-QMMMGPOBSA-N 1 1 187.283 1.846 10 0 ADAEMO CC[C@H](O)[C@H](CC)[N@H+]1CC[C@H]1C 313151417 572334278 /nfs/dbraw/zinc/33/42/78/572334278.db2.gz LHVKSRXCDJBAQH-UTLUCORTSA-N 1 1 171.284 1.630 10 0 ADAEMO CC(C)(C)[C@H]1C[NH2+]C[C@@H]2CCCCN21 77296127 572337394 /nfs/dbraw/zinc/33/73/94/572337394.db2.gz DWGYLXSXVNMOBV-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC(CC)(CC)OC(=O)[C@@H](C)[NH3+] 238205297 572334392 /nfs/dbraw/zinc/33/43/92/572334392.db2.gz WLYBJWXLHYHJDX-MRVPVSSYSA-N 1 1 187.283 1.846 10 0 ADAEMO Cc1cc(COC(=O)[C@@H](C)[NH3+])c(C)[nH]1 77296011 572336501 /nfs/dbraw/zinc/33/65/01/572336501.db2.gz BRCJZFPPBJFQQZ-SSDOTTSWSA-N 1 1 196.250 1.022 10 0 ADAEMO C[NH2+][C@@H](C)c1ncc(COC)o1 83556123 572334660 /nfs/dbraw/zinc/33/46/60/572334660.db2.gz DXWZJKXHPHQTHZ-LURJTMIESA-N 1 1 170.212 1.101 10 0 ADAEMO C[NH2+][C@H](C)c1ncc(COC)o1 83556124 572334878 /nfs/dbraw/zinc/33/48/78/572334878.db2.gz DXWZJKXHPHQTHZ-ZCFIWIBFSA-N 1 1 170.212 1.101 10 0 ADAEMO CCC[C@@H]1CCC[N@H+]1CCCO 196456244 572334924 /nfs/dbraw/zinc/33/49/24/572334924.db2.gz RHQLTFXIPBERGO-SNVBAGLBSA-N 1 1 171.284 1.633 10 0 ADAEMO CCOCc1cnc(C[NH2+]C2CC2)o1 83555766 572335235 /nfs/dbraw/zinc/33/52/35/572335235.db2.gz UIPWTBMMJVIHKM-UHFFFAOYSA-N 1 1 196.250 1.463 10 0 ADAEMO CCC[N@@H+](C)[C@H](C)[C@H]1CCCO1 307981694 572336712 /nfs/dbraw/zinc/33/67/12/572336712.db2.gz PDOXDTQXUOTHAM-NXEZZACHSA-N 1 1 171.284 1.896 10 0 ADAEMO CCCc1cnc(C[NH2+]C2CC2)o1 83555722 572335440 /nfs/dbraw/zinc/33/54/40/572335440.db2.gz YUZUXDQVRQEFAJ-UHFFFAOYSA-N 1 1 180.251 1.879 10 0 ADAEMO CCOCc1cnc([C@@H](C)[NH2+]C)o1 83556265 572335519 /nfs/dbraw/zinc/33/55/19/572335519.db2.gz PJGYPGNSYCZHEL-SSDOTTSWSA-N 1 1 184.239 1.492 10 0 ADAEMO CCc1cnc(C[NH2+]C2CC2)o1 83555760 572335552 /nfs/dbraw/zinc/33/55/52/572335552.db2.gz YTCIVHHEJRAUBT-UHFFFAOYSA-N 1 1 166.224 1.489 10 0 ADAEMO CC(C)(C)[C@@H]1CNC[C@@H]2CCCC[N@H+]21 77296126 572335732 /nfs/dbraw/zinc/33/57/32/572335732.db2.gz DWGYLXSXVNMOBV-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)(C)[C@@H]1C[NH2+]C[C@@H]2CCCCN21 77296126 572335735 /nfs/dbraw/zinc/33/57/35/572335735.db2.gz DWGYLXSXVNMOBV-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO c1nc(C[NH2+]C2CC2)oc1C1CC1 83555733 572335850 /nfs/dbraw/zinc/33/58/50/572335850.db2.gz LRHMURUSKBKMKB-UHFFFAOYSA-N 1 1 178.235 1.804 10 0 ADAEMO CC(C)(C)[C@H]1C[N@@H+]2CCCC[C@@H]2CN1 77296123 572335902 /nfs/dbraw/zinc/33/59/02/572335902.db2.gz NVDPHXUJRJFYCO-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)(C)[C@H]1C[N@H+]2CCCC[C@@H]2CN1 77296123 572335904 /nfs/dbraw/zinc/33/59/04/572335904.db2.gz NVDPHXUJRJFYCO-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H](C)CO[C@H](C)O 238207952 572335941 /nfs/dbraw/zinc/33/59/41/572335941.db2.gz AQELXIITNIQTAH-DTWKUNHWSA-N 1 1 175.272 1.070 10 0 ADAEMO Cc1cc(COC(=O)[C@H](C)[NH3+])c(C)[nH]1 77296012 572335977 /nfs/dbraw/zinc/33/59/77/572335977.db2.gz BRCJZFPPBJFQQZ-ZETCQYMHSA-N 1 1 196.250 1.022 10 0 ADAEMO COCCc1cnc(C[NH2+]C2CC2)o1 83555754 572336058 /nfs/dbraw/zinc/33/60/58/572336058.db2.gz ZIGCGMLMEZTIJW-UHFFFAOYSA-N 1 1 196.250 1.116 10 0 ADAEMO CC[C@@H](F)C[N@@H+](C)[C@@H]1CCOC1 307981656 572336100 /nfs/dbraw/zinc/33/61/00/572336100.db2.gz PBHFTMYGBYYNPW-RKDXNWHRSA-N 1 1 175.247 1.455 10 0 ADAEMO COCc1cnc(C[NH2+]C2CC2)o1 83555717 572336159 /nfs/dbraw/zinc/33/61/59/572336159.db2.gz MXVJWLVGQFOGID-UHFFFAOYSA-N 1 1 182.223 1.073 10 0 ADAEMO CCCc1cnc(C[NH2+]CCOC)o1 83555955 572336250 /nfs/dbraw/zinc/33/62/50/572336250.db2.gz BVWOWDCIWWREPZ-UHFFFAOYSA-N 1 1 198.266 1.363 10 0 ADAEMO C/C(=C/Cl)C[N@H+](C)CC(C)(C)O 307981819 572336273 /nfs/dbraw/zinc/33/62/73/572336273.db2.gz PKTFJOHZJGAAKA-YVMONPNESA-N 1 1 191.702 1.832 10 0 ADAEMO COCC[NH2+]Cc1ncc(C2CC2)o1 83555964 572336294 /nfs/dbraw/zinc/33/62/94/572336294.db2.gz BKYMWCMBJYQSOU-UHFFFAOYSA-N 1 1 196.250 1.288 10 0 ADAEMO CC(C)(C)[C@@H]1CNC[C@H]2CCCC[N@H+]21 77296124 572336320 /nfs/dbraw/zinc/33/63/20/572336320.db2.gz DWGYLXSXVNMOBV-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)(C)[C@@H]1C[NH2+]C[C@H]2CCCCN21 77296124 572336322 /nfs/dbraw/zinc/33/63/22/572336322.db2.gz DWGYLXSXVNMOBV-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO c1nc(C[NH2+]C2CC2)oc1CC1CC1 83555708 572336526 /nfs/dbraw/zinc/33/65/26/572336526.db2.gz NGORUYZAYOFXDX-UHFFFAOYSA-N 1 1 192.262 1.879 10 0 ADAEMO CO[C@H](C)[C@H](C)[N@@H+](C)CC1CC1 307982050 572336589 /nfs/dbraw/zinc/33/65/89/572336589.db2.gz PGPRCBZZGOXVQF-DTWKUNHWSA-N 1 1 171.284 1.752 10 0 ADAEMO C[C@H]1CN(C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H]1C 52273423 572336694 /nfs/dbraw/zinc/33/66/94/572336694.db2.gz FULVXKQYNAJDID-WTPMCQDGSA-N 1 1 196.338 1.713 10 0 ADAEMO CO[C@H](C)[C@@H](C)[N@@H+](C)CC1CC1 307982054 572336738 /nfs/dbraw/zinc/33/67/38/572336738.db2.gz PGPRCBZZGOXVQF-RKDXNWHRSA-N 1 1 171.284 1.752 10 0 ADAEMO CCC[NH2+][C@]1(C[NH3+])CS[C@@H](C)C1 86936783 572336757 /nfs/dbraw/zinc/33/67/57/572336757.db2.gz YNZRRDRNBCUTRZ-DTWKUNHWSA-N 1 1 188.340 1.209 10 0 ADAEMO CC(C)[C@@H](N)C[NH2+]C1CCC1 52212349 572337940 /nfs/dbraw/zinc/33/79/40/572337940.db2.gz YKLLEOISBYMTGI-VIFPVBQESA-N 1 1 156.273 1.112 10 0 ADAEMO Cc1cc(COC(=O)C[NH3+])ccc1F 77296205 572336866 /nfs/dbraw/zinc/33/68/66/572336866.db2.gz DXMLILFNHFYWPM-UHFFFAOYSA-N 1 1 197.209 1.136 10 0 ADAEMO CCC[NH2+][C@]1(C[NH3+])CS[C@H](C)C1 86936785 572336971 /nfs/dbraw/zinc/33/69/71/572336971.db2.gz YNZRRDRNBCUTRZ-RKDXNWHRSA-N 1 1 188.340 1.209 10 0 ADAEMO CCC[NH2+][C@@]1(C[NH3+])CS[C@@H](C)C1 86936782 572339114 /nfs/dbraw/zinc/33/91/14/572339114.db2.gz YNZRRDRNBCUTRZ-IUCAKERBSA-N 1 1 188.340 1.209 10 0 ADAEMO C[C@@H]([NH3+])C(=O)OCc1cccc(F)c1 77296188 572337136 /nfs/dbraw/zinc/33/71/36/572337136.db2.gz VDAATHAKRULLLQ-SSDOTTSWSA-N 1 1 197.209 1.216 10 0 ADAEMO CC(C)CC1(C[NH+]2CCNCC2)CC1 77296128 572337234 /nfs/dbraw/zinc/33/72/34/572337234.db2.gz IZRMZXJMIKIXIM-UHFFFAOYSA-N 1 1 196.338 1.718 10 0 ADAEMO CC(C)(C)[C@H]1CNC[C@H]2CCCC[N@@H+]12 77296125 572337268 /nfs/dbraw/zinc/33/72/68/572337268.db2.gz DWGYLXSXVNMOBV-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)(C)[C@H]1C[NH2+]C[C@H]2CCCCN12 77296125 572337271 /nfs/dbraw/zinc/33/72/71/572337271.db2.gz DWGYLXSXVNMOBV-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCCN[P@@](=O)(C[NH3+])OC 238207141 572337300 /nfs/dbraw/zinc/33/73/00/572337300.db2.gz JZPXJHRDCRZDRQ-LLVKDONJSA-N 1 1 180.188 1.132 10 0 ADAEMO CC(C)[N@@H+](C)[C@H](C)CO[C@H](C)O 238208420 572337350 /nfs/dbraw/zinc/33/73/50/572337350.db2.gz AQELXIITNIQTAH-RKDXNWHRSA-N 1 1 175.272 1.070 10 0 ADAEMO CC(C)(C)[C@H]1CNC[C@@H]2CCCC[N@H+]21 77296127 572337389 /nfs/dbraw/zinc/33/73/89/572337389.db2.gz DWGYLXSXVNMOBV-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]([NH3+])C(=O)OCc1cccc(F)c1 77296187 572337494 /nfs/dbraw/zinc/33/74/94/572337494.db2.gz VDAATHAKRULLLQ-ZETCQYMHSA-N 1 1 197.209 1.216 10 0 ADAEMO CC(C)[C@H](N)C[NH2+]C1CCC1 52212346 572337438 /nfs/dbraw/zinc/33/74/38/572337438.db2.gz YKLLEOISBYMTGI-SECBINFHSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@@H]([NH3+])C(=O)c1cc(C2CC2)on1 107168445 572337537 /nfs/dbraw/zinc/33/75/37/572337537.db2.gz LASGSMJTMIKWET-RXMQYKEDSA-N 1 1 180.207 1.082 10 0 ADAEMO CCC[N@@H+](C)[C@@H](C)[C@H]1CCCO1 307981990 572337560 /nfs/dbraw/zinc/33/75/60/572337560.db2.gz PDOXDTQXUOTHAM-VHSXEESVSA-N 1 1 171.284 1.896 10 0 ADAEMO CC[C@@H](F)C[N@@H+](C)[C@H]1CCOC1 307981651 572337619 /nfs/dbraw/zinc/33/76/19/572337619.db2.gz PBHFTMYGBYYNPW-BDAKNGLRSA-N 1 1 175.247 1.455 10 0 ADAEMO CCc1ccccc1[C@@H](C[NH3+])NC 52203950 572337747 /nfs/dbraw/zinc/33/77/47/572337747.db2.gz GVZRMSPLKUTNAD-LLVKDONJSA-N 1 1 178.279 1.468 10 0 ADAEMO CCC[N@@H+](C)[C@@H](C)[C@@H]1CCCO1 307981989 572337768 /nfs/dbraw/zinc/33/77/68/572337768.db2.gz PDOXDTQXUOTHAM-UWVGGRQHSA-N 1 1 171.284 1.896 10 0 ADAEMO CC[C@H](F)C[N@@H+](C)[C@@H]1CCOC1 307981653 572337980 /nfs/dbraw/zinc/33/79/80/572337980.db2.gz PBHFTMYGBYYNPW-DTWKUNHWSA-N 1 1 175.247 1.455 10 0 ADAEMO CCC[N@@H+](C)[C@H](C)[C@@H]1CCCO1 307981992 572338141 /nfs/dbraw/zinc/33/81/41/572338141.db2.gz PDOXDTQXUOTHAM-ZJUUUORDSA-N 1 1 171.284 1.896 10 0 ADAEMO CCCCCC[C@@H](N)C[NH2+]CC 238207764 572338416 /nfs/dbraw/zinc/33/84/16/572338416.db2.gz GRYPJJDQUNLHDI-SNVBAGLBSA-N 1 1 172.316 1.894 10 0 ADAEMO CCCCN[P@](=O)(C[NH3+])OC 238207161 572338440 /nfs/dbraw/zinc/33/84/40/572338440.db2.gz JZPXJHRDCRZDRQ-NSHDSACASA-N 1 1 180.188 1.132 10 0 ADAEMO CC(C)(C)[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1 77296122 572338455 /nfs/dbraw/zinc/33/84/55/572338455.db2.gz NVDPHXUJRJFYCO-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)(C)[C@@H]1C[N@H+]2CCCC[C@@H]2CN1 77296122 572338458 /nfs/dbraw/zinc/33/84/58/572338458.db2.gz NVDPHXUJRJFYCO-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H](F)C[N@@H+](C)[C@H]1CCOC1 307981655 572338468 /nfs/dbraw/zinc/33/84/68/572338468.db2.gz PBHFTMYGBYYNPW-IUCAKERBSA-N 1 1 175.247 1.455 10 0 ADAEMO CCn1ccnc1N[C@@H](C[NH3+])C1CC1 83565734 572338542 /nfs/dbraw/zinc/33/85/42/572338542.db2.gz AZGRKNGXJIVURP-VIFPVBQESA-N 1 1 194.282 1.052 10 0 ADAEMO Cc1cc(CC[N@H+](C)CCN)c(C)[nH]1 77295887 572338623 /nfs/dbraw/zinc/33/86/23/572338623.db2.gz FBQLWFFEHMHDCD-UHFFFAOYSA-N 1 1 195.310 1.065 10 0 ADAEMO Cc1cc(CC[N@@H+](C)CCN)c(C)[nH]1 77295887 572338627 /nfs/dbraw/zinc/33/86/27/572338627.db2.gz FBQLWFFEHMHDCD-UHFFFAOYSA-N 1 1 195.310 1.065 10 0 ADAEMO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CCCN(C)C1 52272930 572338792 /nfs/dbraw/zinc/33/87/92/572338792.db2.gz OVVOWLDLLYMKIM-KXNHARMFSA-N 1 1 196.338 1.715 10 0 ADAEMO CCn1ccnc1N[C@H](C[NH3+])C(C)C 83569131 572338802 /nfs/dbraw/zinc/33/88/02/572338802.db2.gz ULWQLDYUUUCVOT-SECBINFHSA-N 1 1 196.298 1.298 10 0 ADAEMO CCn1ccnc1N[C@H](C[NH3+])C1CC1 83565735 572338811 /nfs/dbraw/zinc/33/88/11/572338811.db2.gz AZGRKNGXJIVURP-SECBINFHSA-N 1 1 194.282 1.052 10 0 ADAEMO CCC[N@@H+](C)C[C@@H](C)C(C)=O 238213295 572338824 /nfs/dbraw/zinc/33/88/24/572338824.db2.gz FSNVSYAMYRCTDQ-MRVPVSSYSA-N 1 1 157.257 1.553 10 0 ADAEMO C[C@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1CCCN(C)C1 52272934 572338902 /nfs/dbraw/zinc/33/89/02/572338902.db2.gz OVVOWLDLLYMKIM-WRWGMCAJSA-N 1 1 196.338 1.715 10 0 ADAEMO CCC[C@@H](C[NH3+])Nc1nccn1CC 83568759 572339035 /nfs/dbraw/zinc/33/90/35/572339035.db2.gz XZWZMVHZYGIZFC-VIFPVBQESA-N 1 1 196.298 1.442 10 0 ADAEMO CC(C)C[C@@H](C)CC[NH+]1CCNCC1 77296477 572339085 /nfs/dbraw/zinc/33/90/85/572339085.db2.gz OVVGTDOIBDOIAH-LBPRGKRZSA-N 1 1 198.354 1.964 10 0 ADAEMO CC(C)CC[C@@H](C)C[NH+]1CCNCC1 77296457 572339102 /nfs/dbraw/zinc/33/91/02/572339102.db2.gz DBPQVLFCHNTICN-GFCCVEGCSA-N 1 1 198.354 1.964 10 0 ADAEMO CC(C)C(C)(C)CCN1CC[NH2+]CC1 77296482 572339245 /nfs/dbraw/zinc/33/92/45/572339245.db2.gz XCRKCOVYFSOSNQ-UHFFFAOYSA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@H](C[NH3+])Nc1nccn1CC 83568760 572339321 /nfs/dbraw/zinc/33/93/21/572339321.db2.gz XZWZMVHZYGIZFC-SECBINFHSA-N 1 1 196.298 1.442 10 0 ADAEMO C[N@H+](C1CC1)[C@H](CO)c1cccs1 77296280 572339326 /nfs/dbraw/zinc/33/93/26/572339326.db2.gz MYADMSXYRGTLPI-SECBINFHSA-N 1 1 197.303 1.876 10 0 ADAEMO CC(C)CC(C)(C)C[NH+]1CCNCC1 77296465 572339526 /nfs/dbraw/zinc/33/95/26/572339526.db2.gz JPRSNVFTQWKFHZ-UHFFFAOYSA-N 1 1 198.354 1.964 10 0 ADAEMO CCCc1n[nH]c([C@H](C[NH3+])CCC)n1 83603197 572339840 /nfs/dbraw/zinc/33/98/40/572339840.db2.gz RSRMZFVLGRPAMJ-QMMMGPOBSA-N 1 1 196.298 1.600 10 0 ADAEMO CCCc1nc([C@H](C[NH3+])CCC)n[nH]1 83603197 572339841 /nfs/dbraw/zinc/33/98/41/572339841.db2.gz RSRMZFVLGRPAMJ-QMMMGPOBSA-N 1 1 196.298 1.600 10 0 ADAEMO CCC[N@@H+](C)C(C)(C)C[C@H](C)O 238212712 572339863 /nfs/dbraw/zinc/33/98/63/572339863.db2.gz MYTRLEORYCXJID-VIFPVBQESA-N 1 1 173.300 1.878 10 0 ADAEMO CC[N@@H+](CCCO)C/C(C)=C\Cl 307982334 572339892 /nfs/dbraw/zinc/33/98/92/572339892.db2.gz PVHNGSAACKZIBE-CLFYSBASSA-N 1 1 191.702 1.833 10 0 ADAEMO CCC[N@@H+](C)C(C)(C)C[C@@H](C)O 238212696 572340020 /nfs/dbraw/zinc/34/00/20/572340020.db2.gz MYTRLEORYCXJID-SECBINFHSA-N 1 1 173.300 1.878 10 0 ADAEMO CC[C@H](C[NH3+])c1nc(C2CC2)n[nH]1 83603202 572340099 /nfs/dbraw/zinc/34/00/99/572340099.db2.gz CZQDLGITTWAYDX-ZCFIWIBFSA-N 1 1 180.255 1.134 10 0 ADAEMO C[C@H](CO)[N@@H+](C)[Si](C)(C)C 196601287 572340111 /nfs/dbraw/zinc/34/01/11/572340111.db2.gz GNUYZBRFBSYPKU-SSDOTTSWSA-N 1 1 161.321 1.134 10 0 ADAEMO CC(C)[C@H](C[NH3+])c1nc(C2CC2)n[nH]1 83603206 572340276 /nfs/dbraw/zinc/34/02/76/572340276.db2.gz FSTMWYHXVQKXAU-QMMMGPOBSA-N 1 1 194.282 1.380 10 0 ADAEMO CC[C@@H](C[NH3+])c1nc(C(C)C)n[nH]1 83603189 572340307 /nfs/dbraw/zinc/34/03/07/572340307.db2.gz QXIKXBMDZHBFRE-ZETCQYMHSA-N 1 1 182.271 1.380 10 0 ADAEMO CCCc1n[nH]c([C@@H](C[NH3+])CCC)n1 83603198 572340367 /nfs/dbraw/zinc/34/03/67/572340367.db2.gz RSRMZFVLGRPAMJ-MRVPVSSYSA-N 1 1 196.298 1.600 10 0 ADAEMO CCCc1nc([C@@H](C[NH3+])CCC)n[nH]1 83603198 572340370 /nfs/dbraw/zinc/34/03/70/572340370.db2.gz RSRMZFVLGRPAMJ-MRVPVSSYSA-N 1 1 196.298 1.600 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+]CC1(N)CCCCC1 52294374 572340385 /nfs/dbraw/zinc/34/03/85/572340385.db2.gz RCYALIBXRMAGHU-ZJUUUORDSA-N 1 1 182.311 1.646 10 0 ADAEMO CCC[C@@H](C[NH3+])c1nc(C2CC2)n[nH]1 83603203 572340467 /nfs/dbraw/zinc/34/04/67/572340467.db2.gz GTSGJKJNHXMLBX-QMMMGPOBSA-N 1 1 194.282 1.525 10 0 ADAEMO C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCCCN1 52294264 572340535 /nfs/dbraw/zinc/34/05/35/572340535.db2.gz UDNRYOIOKQZDHY-KXUCPTDWSA-N 1 1 168.284 1.127 10 0 ADAEMO CC[N@@H+](CC1CC1)CC(C)(C)CO 68948467 572340554 /nfs/dbraw/zinc/34/05/54/572340554.db2.gz CZDJWNBDHCVDDO-UHFFFAOYSA-N 1 1 185.311 1.737 10 0 ADAEMO CC[C@H]1CCN([C@@H]2C[C@@H]2C)CC[NH2+]1 52298937 572340788 /nfs/dbraw/zinc/34/07/88/572340788.db2.gz KALJQZCWYBORRV-GARJFASQSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)CC[C@H](C)C[NH+]1CCNCC1 77296458 572340796 /nfs/dbraw/zinc/34/07/96/572340796.db2.gz DBPQVLFCHNTICN-LBPRGKRZSA-N 1 1 198.354 1.964 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)[Si](C)(C)C 196601280 572340833 /nfs/dbraw/zinc/34/08/33/572340833.db2.gz GNUYZBRFBSYPKU-ZETCQYMHSA-N 1 1 161.321 1.134 10 0 ADAEMO C[C@H]1C[C@@H]1[NH2+]CC1(N)CCCCC1 52294375 572340846 /nfs/dbraw/zinc/34/08/46/572340846.db2.gz RCYALIBXRMAGHU-UWVGGRQHSA-N 1 1 182.311 1.646 10 0 ADAEMO CCCc1n[nH]c([C@@H](CC)C[NH3+])n1 83603195 572340850 /nfs/dbraw/zinc/34/08/50/572340850.db2.gz NDWBCMZFQWNWEI-ZETCQYMHSA-N 1 1 182.271 1.210 10 0 ADAEMO CCCc1nc([C@@H](CC)C[NH3+])n[nH]1 83603195 572340853 /nfs/dbraw/zinc/34/08/53/572340853.db2.gz NDWBCMZFQWNWEI-ZETCQYMHSA-N 1 1 182.271 1.210 10 0 ADAEMO C[NH2+][C@@H](CN)c1cc(F)ccc1C 234425307 572340898 /nfs/dbraw/zinc/34/08/98/572340898.db2.gz RAMMVLABOLNRCD-JTQLQIEISA-N 1 1 182.242 1.353 10 0 ADAEMO C[C@@H]1C[C@H]1[NH2+]CC1(N)CCCCC1 52294378 572340965 /nfs/dbraw/zinc/34/09/65/572340965.db2.gz RCYALIBXRMAGHU-NXEZZACHSA-N 1 1 182.311 1.646 10 0 ADAEMO C[C@H]([NH3+])C(=O)OCCC1CCCCC1 77296659 572340976 /nfs/dbraw/zinc/34/09/76/572340976.db2.gz QLHFBLXHBIGTOK-VIFPVBQESA-N 1 1 199.294 1.847 10 0 ADAEMO C[C@H]1C[C@H]1[NH2+]CC1(N)CCCCC1 52294381 572341004 /nfs/dbraw/zinc/34/10/04/572341004.db2.gz RCYALIBXRMAGHU-VHSXEESVSA-N 1 1 182.311 1.646 10 0 ADAEMO C[C@@H]1C[C@H]1[N@H+]1Cc2ccc(N)cc2C1 52297761 572341040 /nfs/dbraw/zinc/34/10/40/572341040.db2.gz RFFFJZRQUBNWFM-PRHODGIISA-N 1 1 188.274 1.993 10 0 ADAEMO CCC[C@H](C[NH3+])c1nc(C2CC2)n[nH]1 83603204 572341085 /nfs/dbraw/zinc/34/10/85/572341085.db2.gz GTSGJKJNHXMLBX-MRVPVSSYSA-N 1 1 194.282 1.525 10 0 ADAEMO C[N@H+](C1CC1)[C@@H](CO)c1cccs1 77296279 572341096 /nfs/dbraw/zinc/34/10/96/572341096.db2.gz MYADMSXYRGTLPI-VIFPVBQESA-N 1 1 197.303 1.876 10 0 ADAEMO C[C@H]1C[C@H]1[NH2+]C[C@@H]1CCCCN1 52294267 572341162 /nfs/dbraw/zinc/34/11/62/572341162.db2.gz UDNRYOIOKQZDHY-LPEHRKFASA-N 1 1 168.284 1.127 10 0 ADAEMO CC(C)C[C@H](C)CC[NH+]1CCNCC1 77296478 572341176 /nfs/dbraw/zinc/34/11/76/572341176.db2.gz OVVGTDOIBDOIAH-GFCCVEGCSA-N 1 1 198.354 1.964 10 0 ADAEMO C[C@@H]1C[C@@H]1[N@H+]1Cc2ccc(N)cc2C1 52297756 572341256 /nfs/dbraw/zinc/34/12/56/572341256.db2.gz RFFFJZRQUBNWFM-PELKAZGASA-N 1 1 188.274 1.993 10 0 ADAEMO C[C@@H]([NH3+])C(=O)OCCC1CCCCC1 77296660 572341258 /nfs/dbraw/zinc/34/12/58/572341258.db2.gz QLHFBLXHBIGTOK-SECBINFHSA-N 1 1 199.294 1.847 10 0 ADAEMO CC(C)c1n[nH]c([C@H](C[NH3+])C(C)C)n1 83603194 572341265 /nfs/dbraw/zinc/34/12/65/572341265.db2.gz PSOOPRFCUOGDEC-MRVPVSSYSA-N 1 1 196.298 1.626 10 0 ADAEMO CC(C)[C@@H](C[NH3+])c1nc(C2CC2)n[nH]1 83603205 572341326 /nfs/dbraw/zinc/34/13/26/572341326.db2.gz FSTMWYHXVQKXAU-MRVPVSSYSA-N 1 1 194.282 1.380 10 0 ADAEMO CCCc1n[nH]c([C@H](C[NH3+])C(C)C)n1 83603200 572341444 /nfs/dbraw/zinc/34/14/44/572341444.db2.gz DLNFAKHEXSOTKM-MRVPVSSYSA-N 1 1 196.298 1.456 10 0 ADAEMO CCCc1nc([C@H](C[NH3+])C(C)C)n[nH]1 83603200 572341448 /nfs/dbraw/zinc/34/14/48/572341448.db2.gz DLNFAKHEXSOTKM-MRVPVSSYSA-N 1 1 196.298 1.456 10 0 ADAEMO C[C@@H]1C[C@@H]1[N@H+]1Cc2cccc(N)c2C1 52297745 572341455 /nfs/dbraw/zinc/34/14/55/572341455.db2.gz UUUWNLYCLRLEFK-PELKAZGASA-N 1 1 188.274 1.993 10 0 ADAEMO CCC[N@@H+](CCO)[C@@H]1CCSC1 307982553 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UUUWNLYCLRLEFK-UFBFGSQYSA-N 1 1 188.274 1.993 10 0 ADAEMO CCCc1n[nH]c([C@@H](C[NH3+])C(C)C)n1 83603199 572341921 /nfs/dbraw/zinc/34/19/21/572341921.db2.gz DLNFAKHEXSOTKM-QMMMGPOBSA-N 1 1 196.298 1.456 10 0 ADAEMO CCCc1nc([C@@H](C[NH3+])C(C)C)n[nH]1 83603199 572341923 /nfs/dbraw/zinc/34/19/23/572341923.db2.gz DLNFAKHEXSOTKM-QMMMGPOBSA-N 1 1 196.298 1.456 10 0 ADAEMO C[C@H]1C[C@@H]1[N@H+]1Cc2ccc(N)cc2C1 52297759 572342075 /nfs/dbraw/zinc/34/20/75/572342075.db2.gz RFFFJZRQUBNWFM-UFBFGSQYSA-N 1 1 188.274 1.993 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CC)CNC(C)=O 238214548 572342078 /nfs/dbraw/zinc/34/20/78/572342078.db2.gz VWZQUNQCRQXGLZ-JTQLQIEISA-N 1 1 186.299 1.243 10 0 ADAEMO CO[C@@H](C)[C@@H](C)[N@@H+](C)CCSC 307980779 572342092 /nfs/dbraw/zinc/34/20/92/572342092.db2.gz OOAGYVFQDREXKA-BDAKNGLRSA-N 1 1 191.340 1.705 10 0 ADAEMO CC[NH2+][C@@H]1CCN([C@@H]2C[C@@H]2C)[C@H](C)C1 52289060 572342112 /nfs/dbraw/zinc/34/21/12/572342112.db2.gz IJTQYOBPLJOKDI-IRCOFANPSA-N 1 1 196.338 1.857 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCN1 52294259 572342167 /nfs/dbraw/zinc/34/21/67/572342167.db2.gz UDNRYOIOKQZDHY-UTLUCORTSA-N 1 1 168.284 1.127 10 0 ADAEMO CO[C@@H](C)[C@H](C)[N@@H+](C)CCSC 307980781 572342292 /nfs/dbraw/zinc/34/22/92/572342292.db2.gz OOAGYVFQDREXKA-IUCAKERBSA-N 1 1 191.340 1.705 10 0 ADAEMO CCC[C@H](C[NH3+])c1nc(CC)n[nH]1 83603180 572342296 /nfs/dbraw/zinc/34/22/96/572342296.db2.gz VQRYKXNXSXPRJI-SSDOTTSWSA-N 1 1 182.271 1.210 10 0 ADAEMO CCC[C@H](C[NH3+])c1n[nH]c(CC)n1 83603180 572342300 /nfs/dbraw/zinc/34/23/00/572342300.db2.gz VQRYKXNXSXPRJI-SSDOTTSWSA-N 1 1 182.271 1.210 10 0 ADAEMO C[C@H]1C[C@H]1[N@H+]1Cc2ccc(N)cc2C1 52297764 572342324 /nfs/dbraw/zinc/34/23/24/572342324.db2.gz RFFFJZRQUBNWFM-QPUJVOFHSA-N 1 1 188.274 1.993 10 0 ADAEMO Nc1cc(N)c2[nH+]c3ccccn3c2c1 238639763 572342344 /nfs/dbraw/zinc/34/23/44/572342344.db2.gz RSXMOWGKQLVFLE-UHFFFAOYSA-N 1 1 198.229 1.652 10 0 ADAEMO CCc1n[nH]c([C@H](C[NH3+])C(C)C)n1 83603182 572342355 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182.271 1.380 10 0 ADAEMO CCC[C@H](N)C[NH2+][C@@H]1C[C@@H]1C 52294475 572342645 /nfs/dbraw/zinc/34/26/45/572342645.db2.gz ZXKWGBJQQTYWGM-XHNCKOQMSA-N 1 1 156.273 1.112 10 0 ADAEMO CCc1n[nH]c([C@@H](C[NH3+])C(C)C)n1 83603181 572342677 /nfs/dbraw/zinc/34/26/77/572342677.db2.gz CJMUHSDSJYFIBP-ZETCQYMHSA-N 1 1 182.271 1.065 10 0 ADAEMO CCc1nc([C@@H](C[NH3+])C(C)C)n[nH]1 83603181 572342679 /nfs/dbraw/zinc/34/26/79/572342679.db2.gz CJMUHSDSJYFIBP-ZETCQYMHSA-N 1 1 182.271 1.065 10 0 ADAEMO C[NH2+][C@@H](C)c1nc([C@H]2CC2(C)C)no1 234424050 572342691 /nfs/dbraw/zinc/34/26/91/572342691.db2.gz MTQZCEKYRKAUAS-NKWVEPMBSA-N 1 1 195.266 1.864 10 0 ADAEMO C[C@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCN1 52294262 572342699 /nfs/dbraw/zinc/34/26/99/572342699.db2.gz UDNRYOIOKQZDHY-GUBZILKMSA-N 1 1 168.284 1.127 10 0 ADAEMO CO[C@H](C)[C@@H](C)[N@@H+](C)CCSC 307980782 572342737 /nfs/dbraw/zinc/34/27/37/572342737.db2.gz OOAGYVFQDREXKA-RKDXNWHRSA-N 1 1 191.340 1.705 10 0 ADAEMO C[N@H+]1CCC[C@H]1C1(O)CCCCC1 196680543 572343188 /nfs/dbraw/zinc/34/31/88/572343188.db2.gz RTVRQCJBXGCOSD-JTQLQIEISA-N 1 1 183.295 1.776 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(NC(C)(C)C)o1 234425324 572343538 /nfs/dbraw/zinc/34/35/38/572343538.db2.gz SFULJOWAWBWHHU-LURJTMIESA-N 1 1 198.270 1.560 10 0 ADAEMO CC[C@@H](O)CC[N@H+]1CC[C@@H](C)C1 307980587 572343545 /nfs/dbraw/zinc/34/35/45/572343545.db2.gz NSCTWKHPYFOUIQ-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO CCC[C@H](C[NH3+])CNCc1ccco1 83607331 572343584 /nfs/dbraw/zinc/34/35/84/572343584.db2.gz CDJCNWZNXTXPCN-SNVBAGLBSA-N 1 1 196.294 1.744 10 0 ADAEMO CC(C)[C@H](C[NH3+])CNCc1ccco1 83607339 572343696 /nfs/dbraw/zinc/34/36/96/572343696.db2.gz MUAROBDVYWZQFI-SNVBAGLBSA-N 1 1 196.294 1.600 10 0 ADAEMO CN[C@@H](C[NH3+])c1cccc(C2CC2)c1 87012088 572343893 /nfs/dbraw/zinc/34/38/93/572343893.db2.gz CRKZUQLEMAXPGC-LBPRGKRZSA-N 1 1 190.290 1.783 10 0 ADAEMO CC[C@H](O)CC[N@H+]1CC[C@@H](C)C1 307980588 572343962 /nfs/dbraw/zinc/34/39/62/572343962.db2.gz NSCTWKHPYFOUIQ-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO CCCCCC[C@@H]1C[C@H]([NH3+])C(=O)O1 238213923 572344310 /nfs/dbraw/zinc/34/43/10/572344310.db2.gz RVDSJWOQMHUQQU-BDAKNGLRSA-N 1 1 185.267 1.600 10 0 ADAEMO CCCC[C@H]([NH3+])[C@@H](N)CC(C)C 238216723 572344332 /nfs/dbraw/zinc/34/43/32/572344332.db2.gz QYDWHAKOJCUERF-UWVGGRQHSA-N 1 1 172.316 1.877 10 0 ADAEMO CCCC[C@H](N)[C@@H]([NH3+])CC(C)C 238216723 572344336 /nfs/dbraw/zinc/34/43/36/572344336.db2.gz QYDWHAKOJCUERF-UWVGGRQHSA-N 1 1 172.316 1.877 10 0 ADAEMO CCCC[C@H](N)[C@@H]1CCCC[NH2+]1 238216914 572344354 /nfs/dbraw/zinc/34/43/54/572344354.db2.gz OIYQFUPHIXCBDK-UWVGGRQHSA-N 1 1 170.300 1.646 10 0 ADAEMO CN[C@@H](C[NH3+])c1ccc(C2CC2)cc1 87012093 572344363 /nfs/dbraw/zinc/34/43/63/572344363.db2.gz NJFBKMYWEQQQQF-LBPRGKRZSA-N 1 1 190.290 1.783 10 0 ADAEMO CNC[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 52420473 572344429 /nfs/dbraw/zinc/34/44/29/572344429.db2.gz VOPFMKIOAAEZOH-AXFHLTTASA-N 1 1 184.327 1.572 10 0 ADAEMO CO[C@H](C)[C@H](C)[N@@H+](C)CCSC 307980780 572344431 /nfs/dbraw/zinc/34/44/31/572344431.db2.gz OOAGYVFQDREXKA-DTWKUNHWSA-N 1 1 191.340 1.705 10 0 ADAEMO CNC[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 52420473 572344435 /nfs/dbraw/zinc/34/44/35/572344435.db2.gz VOPFMKIOAAEZOH-AXFHLTTASA-N 1 1 184.327 1.572 10 0 ADAEMO CCCC[C@H](N)[C@H]([NH3+])C(C)C 238217042 572344451 /nfs/dbraw/zinc/34/44/51/572344451.db2.gz PFOJODDJONAXKR-DTWKUNHWSA-N 1 1 158.289 1.487 10 0 ADAEMO CCCC[C@H]([NH3+])[C@H](N)C(C)C 238217042 572344455 /nfs/dbraw/zinc/34/44/55/572344455.db2.gz PFOJODDJONAXKR-DTWKUNHWSA-N 1 1 158.289 1.487 10 0 ADAEMO CCCC[C@H]([NH3+])[C@H](N)CC(C)C 238217056 572344987 /nfs/dbraw/zinc/34/49/87/572344987.db2.gz QYDWHAKOJCUERF-VHSXEESVSA-N 1 1 172.316 1.877 10 0 ADAEMO CCCC[C@H](N)[C@H]([NH3+])CC(C)C 238217056 572344994 /nfs/dbraw/zinc/34/49/94/572344994.db2.gz QYDWHAKOJCUERF-VHSXEESVSA-N 1 1 172.316 1.877 10 0 ADAEMO CN[C@@H](C[NH3+])c1ccccc1C1CC1 87015035 572344997 /nfs/dbraw/zinc/34/49/97/572344997.db2.gz UOIPUFOKFZNLEE-LBPRGKRZSA-N 1 1 190.290 1.783 10 0 ADAEMO CN[C@H](C[NH3+])c1cccc(C2CC2)c1 87012090 572346527 /nfs/dbraw/zinc/34/65/27/572346527.db2.gz CRKZUQLEMAXPGC-GFCCVEGCSA-N 1 1 190.290 1.783 10 0 ADAEMO NCC[NH2+]Cc1cccc(C2CC2)c1 87011870 572345224 /nfs/dbraw/zinc/34/52/24/572345224.db2.gz ODLZFHUONRVPNC-UHFFFAOYSA-N 1 1 190.290 1.612 10 0 ADAEMO O=C1Nc2ccccc2[C@H]1[NH2+]C1CC1 22142605 572345420 /nfs/dbraw/zinc/34/54/20/572345420.db2.gz TWDAGZBLWYPOBG-SNVBAGLBSA-N 1 1 188.230 1.432 10 0 ADAEMO CNC[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 52420475 572345456 /nfs/dbraw/zinc/34/54/56/572345456.db2.gz VOPFMKIOAAEZOH-MXWKQRLJSA-N 1 1 184.327 1.572 10 0 ADAEMO CO[NH+]=C1CCCCCN1 60311144 572345593 /nfs/dbraw/zinc/34/55/93/572345593.db2.gz FLYCPPIMGMHLKO-UHFFFAOYSA-N 1 1 142.202 1.110 10 0 ADAEMO CCCC[C@H](N)[C@@H]([NH3+])C(C)C 238216707 572345947 /nfs/dbraw/zinc/34/59/47/572345947.db2.gz PFOJODDJONAXKR-IUCAKERBSA-N 1 1 158.289 1.487 10 0 ADAEMO CCCC[C@H]([NH3+])[C@@H](N)C(C)C 238216707 572345951 /nfs/dbraw/zinc/34/59/51/572345951.db2.gz PFOJODDJONAXKR-IUCAKERBSA-N 1 1 158.289 1.487 10 0 ADAEMO CC[C@H](C[NH3+])CNCc1ccco1 83607335 572345960 /nfs/dbraw/zinc/34/59/60/572345960.db2.gz VOMNTZNAENUFRH-SECBINFHSA-N 1 1 182.267 1.354 10 0 ADAEMO CN[C@H](C[NH3+])c1ccccc1C1CC1 87015037 572346047 /nfs/dbraw/zinc/34/60/47/572346047.db2.gz UOIPUFOKFZNLEE-GFCCVEGCSA-N 1 1 190.290 1.783 10 0 ADAEMO Cc1cc(CN(C)C)oc1C[NH3+] 52422755 572346141 /nfs/dbraw/zinc/34/61/41/572346141.db2.gz HVQWDOXUKBNUMI-UHFFFAOYSA-N 1 1 168.240 1.108 10 0 ADAEMO CCC[C@@H](C[NH3+])CNCc1ccco1 83607330 572346296 /nfs/dbraw/zinc/34/62/96/572346296.db2.gz CDJCNWZNXTXPCN-JTQLQIEISA-N 1 1 196.294 1.744 10 0 ADAEMO CC(C)[C@@H](C[NH3+])CNCc1ccco1 83607337 572346558 /nfs/dbraw/zinc/34/65/58/572346558.db2.gz MUAROBDVYWZQFI-JTQLQIEISA-N 1 1 196.294 1.600 10 0 ADAEMO CNC[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 52420474 572346978 /nfs/dbraw/zinc/34/69/78/572346978.db2.gz VOPFMKIOAAEZOH-DCAQKATOSA-N 1 1 184.327 1.572 10 0 ADAEMO NCC[NH2+]Cc1ccc(C2CC2)cc1 87011872 572346927 /nfs/dbraw/zinc/34/69/27/572346927.db2.gz NMAANWPKFBVSKS-UHFFFAOYSA-N 1 1 190.290 1.612 10 0 ADAEMO CC[C@@H](C[NH3+])CNCc1ccco1 83607333 572347194 /nfs/dbraw/zinc/34/71/94/572347194.db2.gz VOMNTZNAENUFRH-VIFPVBQESA-N 1 1 182.267 1.354 10 0 ADAEMO CN[C@H](C[NH3+])c1ccc(C2CC2)cc1 87012095 572347274 /nfs/dbraw/zinc/34/72/74/572347274.db2.gz NJFBKMYWEQQQQF-GFCCVEGCSA-N 1 1 190.290 1.783 10 0 ADAEMO NCC[NH2+]Cc1ccccc1C1CC1 87011874 572347379 /nfs/dbraw/zinc/34/73/79/572347379.db2.gz UGMNNICVXLJHTR-UHFFFAOYSA-N 1 1 190.290 1.612 10 0 ADAEMO CC[C@@H](C)[NH2+]Cc1ccc(CN)o1 87048319 572347771 /nfs/dbraw/zinc/34/77/71/572347771.db2.gz SMDNLDUNBZAENY-MRVPVSSYSA-N 1 1 182.267 1.626 10 0 ADAEMO C/C=C/C[N@H+](CCOC)C1CC1 307984904 572347926 /nfs/dbraw/zinc/34/79/26/572347926.db2.gz QUKMIDLEBFLKFO-ONEGZZNKSA-N 1 1 169.268 1.673 10 0 ADAEMO CC[C@H](C)[NH2+]Cc1ccc(CN)o1 87048321 572348086 /nfs/dbraw/zinc/34/80/86/572348086.db2.gz SMDNLDUNBZAENY-QMMMGPOBSA-N 1 1 182.267 1.626 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(CN)o1 87048777 572348117 /nfs/dbraw/zinc/34/81/17/572348117.db2.gz LGXBIIWKGMQUNM-XCBNKYQSSA-N 1 1 180.251 1.236 10 0 ADAEMO CCCC[NH2+]Cc1ccc(CN)o1 87048441 572348236 /nfs/dbraw/zinc/34/82/36/572348236.db2.gz HSCGBXMQBKPDLK-UHFFFAOYSA-N 1 1 182.267 1.628 10 0 ADAEMO CC1(C)C[C@H]1[NH2+]Cc1ccc(CN)o1 87048684 572348502 /nfs/dbraw/zinc/34/85/02/572348502.db2.gz HOAMNEPDPKRXTA-SNVBAGLBSA-N 1 1 194.278 1.626 10 0 ADAEMO CC[N@@H+](CCCCF)C[C@H](C)O 307990369 572348527 /nfs/dbraw/zinc/34/85/27/572348527.db2.gz STEDSPAFXBGCNS-VIFPVBQESA-N 1 1 177.263 1.439 10 0 ADAEMO CC[C@@H](C[NH3+])CNCc1ccc(C)o1 83608902 572348612 /nfs/dbraw/zinc/34/86/12/572348612.db2.gz QFBCWRBYSNMEDG-JTQLQIEISA-N 1 1 196.294 1.663 10 0 ADAEMO CC[N@@H+](CCCCF)C[C@@H](C)O 307990367 572348759 /nfs/dbraw/zinc/34/87/59/572348759.db2.gz STEDSPAFXBGCNS-SECBINFHSA-N 1 1 177.263 1.439 10 0 ADAEMO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(CN)o1 87048781 572348895 /nfs/dbraw/zinc/34/88/95/572348895.db2.gz LGXBIIWKGMQUNM-XVKPBYJWSA-N 1 1 180.251 1.236 10 0 ADAEMO CCC[NH2+]Cc1ccc(CN)o1 87048256 572349005 /nfs/dbraw/zinc/34/90/05/572349005.db2.gz OBXCZGNXKMONOT-UHFFFAOYSA-N 1 1 168.240 1.238 10 0 ADAEMO CCCC[C@H](N)[C@H]1CCCC[NH2+]1 238217191 572349189 /nfs/dbraw/zinc/34/91/89/572349189.db2.gz OIYQFUPHIXCBDK-VHSXEESVSA-N 1 1 170.300 1.646 10 0 ADAEMO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(CN)o1 87048784 572349208 /nfs/dbraw/zinc/34/92/08/572349208.db2.gz LGXBIIWKGMQUNM-GMSGAONNSA-N 1 1 180.251 1.236 10 0 ADAEMO CC[C@H](C[NH3+])CNCc1ccc(C)o1 83608904 572349428 /nfs/dbraw/zinc/34/94/28/572349428.db2.gz QFBCWRBYSNMEDG-SNVBAGLBSA-N 1 1 196.294 1.663 10 0 ADAEMO C[C@H]1C[C@H]1[NH2+]Cc1ccc(CN)o1 87048786 572349568 /nfs/dbraw/zinc/34/95/68/572349568.db2.gz LGXBIIWKGMQUNM-OIBJUYFYSA-N 1 1 180.251 1.236 10 0 ADAEMO CC1(C)C[C@@H]1[NH2+]Cc1ccc(CN)o1 87048681 572349623 /nfs/dbraw/zinc/34/96/23/572349623.db2.gz HOAMNEPDPKRXTA-JTQLQIEISA-N 1 1 194.278 1.626 10 0 ADAEMO CN1CC[C@H]2[NH2+]C(C)(C)CC[C@@H]2C1 251178150 572349776 /nfs/dbraw/zinc/34/97/76/572349776.db2.gz QGEHTOUWCMUMAZ-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO NCc1ccc(C[NH2+]C2CCCC2)o1 87048367 572349984 /nfs/dbraw/zinc/34/99/84/572349984.db2.gz LYWDTAOIMLYRGG-UHFFFAOYSA-N 1 1 194.278 1.771 10 0 ADAEMO C/C=C\C[N@H+](CC)[C@@H]1CCOC1 307987313 572350088 /nfs/dbraw/zinc/35/00/88/572350088.db2.gz ROCJVBPCEHMFAX-TZGMSPROSA-N 1 1 169.268 1.673 10 0 ADAEMO CC[C@@H](C)[N@H+](CC)[C@@H](C)CNC 52450817 572350106 /nfs/dbraw/zinc/35/01/06/572350106.db2.gz QMLIBYWHINQFOS-ZJUUUORDSA-N 1 1 172.316 1.715 10 0 ADAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)CNC 52450817 572350111 /nfs/dbraw/zinc/35/01/11/572350111.db2.gz QMLIBYWHINQFOS-ZJUUUORDSA-N 1 1 172.316 1.715 10 0 ADAEMO COCCC[C@@H](C)[N@@H+](C)C1CC1 307985486 572350118 /nfs/dbraw/zinc/35/01/18/572350118.db2.gz QWFUFTSNDRUFRP-SECBINFHSA-N 1 1 171.284 1.896 10 0 ADAEMO NCc1ccc(C[NH2+]CC2CC2)o1 87048412 572350284 /nfs/dbraw/zinc/35/02/84/572350284.db2.gz YCXIRZORSYCEIX-UHFFFAOYSA-N 1 1 180.251 1.238 10 0 ADAEMO C/C(=C/Cl)C[N@@H+](CCO)C1CC1 307987681 572350410 /nfs/dbraw/zinc/35/04/10/572350410.db2.gz UAMCWHSVMJHAQI-VURMDHGXSA-N 1 1 189.686 1.586 10 0 ADAEMO CC[C@@H](C)[N@@H+]1CCCC(=O)C1 83570720 572350480 /nfs/dbraw/zinc/35/04/80/572350480.db2.gz BHGIGYCVEREDPX-MRVPVSSYSA-N 1 1 155.241 1.450 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCC(=O)C1 83570720 572350483 /nfs/dbraw/zinc/35/04/83/572350483.db2.gz BHGIGYCVEREDPX-MRVPVSSYSA-N 1 1 155.241 1.450 10 0 ADAEMO C/C=C/C[N@H+](CC)[C@@H]1CCOC1 307987311 572350497 /nfs/dbraw/zinc/35/04/97/572350497.db2.gz ROCJVBPCEHMFAX-RXNUUUNCSA-N 1 1 169.268 1.673 10 0 ADAEMO CCC[C@H](C)[N@@H+](C)C1(CO)CC1 307987963 572350616 /nfs/dbraw/zinc/35/06/16/572350616.db2.gz RTXXLDCHYUGIRG-VIFPVBQESA-N 1 1 171.284 1.632 10 0 ADAEMO CC(C)C[NH2+]Cc1ccc(CN)o1 87048353 572350709 /nfs/dbraw/zinc/35/07/09/572350709.db2.gz PKZJMQYXLNKCGE-UHFFFAOYSA-N 1 1 182.267 1.484 10 0 ADAEMO CC(C)(C)[NH2+]Cc1ccc(CN)o1 87048275 572350739 /nfs/dbraw/zinc/35/07/39/572350739.db2.gz ONVQZRJEGXEZMC-UHFFFAOYSA-N 1 1 182.267 1.626 10 0 ADAEMO CC[C@H](C)[N@@H+]1CCCC(=O)C1 83570722 572350793 /nfs/dbraw/zinc/35/07/93/572350793.db2.gz BHGIGYCVEREDPX-QMMMGPOBSA-N 1 1 155.241 1.450 10 0 ADAEMO CC[C@H](C)[N@H+]1CCCC(=O)C1 83570722 572350796 /nfs/dbraw/zinc/35/07/96/572350796.db2.gz BHGIGYCVEREDPX-QMMMGPOBSA-N 1 1 155.241 1.450 10 0 ADAEMO COCCC[C@H](C)[N@@H+](C)C1CC1 307985488 572350864 /nfs/dbraw/zinc/35/08/64/572350864.db2.gz QWFUFTSNDRUFRP-VIFPVBQESA-N 1 1 171.284 1.896 10 0 ADAEMO C/C=C/C[N@H+](CC)[C@H]1CCOC1 307987309 572351194 /nfs/dbraw/zinc/35/11/94/572351194.db2.gz ROCJVBPCEHMFAX-GFAPAMAISA-N 1 1 169.268 1.673 10 0 ADAEMO C/C=C\C[N@H+](CC)[C@H]1CCOC1 307987307 572351505 /nfs/dbraw/zinc/35/15/05/572351505.db2.gz ROCJVBPCEHMFAX-ATPLWMGHSA-N 1 1 169.268 1.673 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)C1(CO)CC1 307987962 572351596 /nfs/dbraw/zinc/35/15/96/572351596.db2.gz RTXXLDCHYUGIRG-SECBINFHSA-N 1 1 171.284 1.632 10 0 ADAEMO CC(C)[NH2+]Cc1ccc(CN)o1 87048289 572351622 /nfs/dbraw/zinc/35/16/22/572351622.db2.gz YYEQAHFIRULQDK-UHFFFAOYSA-N 1 1 168.240 1.236 10 0 ADAEMO CC[C@H](C)C[NH2+]Cc1ccc(CN)o1 87048832 572351827 /nfs/dbraw/zinc/35/18/27/572351827.db2.gz JFTGOMUQGIBUIO-VIFPVBQESA-N 1 1 196.294 1.874 10 0 ADAEMO NCc1ccc(C[NH2+]C2CCC2)o1 87048764 572351877 /nfs/dbraw/zinc/35/18/77/572351877.db2.gz XYRYANZUWOBFOJ-UHFFFAOYSA-N 1 1 180.251 1.380 10 0 ADAEMO COCCC[N@H+]1CCC[C@@H]2C[C@@H]21 307988444 572351889 /nfs/dbraw/zinc/35/18/89/572351889.db2.gz SAZOCZDIGDROLW-ZJUUUORDSA-N 1 1 169.268 1.507 10 0 ADAEMO NCc1ccc(C[NH2+]CCC2CC2)o1 87049069 572352158 /nfs/dbraw/zinc/35/21/58/572352158.db2.gz TTWVLIDPJNICLF-UHFFFAOYSA-N 1 1 194.278 1.628 10 0 ADAEMO CC[C@@H](C)C[NH2+]Cc1ccc(CN)o1 87048830 572352186 /nfs/dbraw/zinc/35/21/86/572352186.db2.gz JFTGOMUQGIBUIO-SECBINFHSA-N 1 1 196.294 1.874 10 0 ADAEMO C[C@@H]1CC[N@H+](Cc2ccoc2CN)C1 52484440 572352647 /nfs/dbraw/zinc/35/26/47/572352647.db2.gz QKLAXDZHPOGGDU-SECBINFHSA-N 1 1 194.278 1.580 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2ccoc2CN)C1 52484440 572352653 /nfs/dbraw/zinc/35/26/53/572352653.db2.gz QKLAXDZHPOGGDU-SECBINFHSA-N 1 1 194.278 1.580 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ccoc2CN)C1 52484441 572355545 /nfs/dbraw/zinc/35/55/45/572355545.db2.gz QKLAXDZHPOGGDU-VIFPVBQESA-N 1 1 194.278 1.580 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1O 44127407 572354572 /nfs/dbraw/zinc/35/45/72/572354572.db2.gz STQNZNRZBKMKMO-MXWKQRLJSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[C@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)O 44112920 572354788 /nfs/dbraw/zinc/35/47/88/572354788.db2.gz HQORELOLOSGGKB-AEJSXWLSSA-N 1 1 171.284 1.630 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)[C@@H](C)O)C1 44114026 572354850 /nfs/dbraw/zinc/35/48/50/572354850.db2.gz RCZGZLFMIXYBDW-ZRUFSTJUSA-N 1 1 185.311 1.734 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1COCC[C@@H]1O 44116346 572354886 /nfs/dbraw/zinc/35/48/86/572354886.db2.gz WIOQSFAXKWXWFM-MXWKQRLJSA-N 1 1 199.294 1.011 10 0 ADAEMO 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JWBZMQGEKMSRIC-UWVGGRQHSA-N 1 1 170.300 1.312 10 0 ADAEMO C[N@@H+]1CCC(C)(C)C[C@@](C)(N)C1 76598370 572379505 /nfs/dbraw/zinc/37/95/05/572379505.db2.gz ICYKADRHMFFXBS-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO C[N@H+]1CCC(C)(C)C[C@@](C)([NH3+])C1 76598370 572379500 /nfs/dbraw/zinc/37/95/00/572379500.db2.gz ICYKADRHMFFXBS-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CN1CCC(C)(C)C[C@@](C)([NH3+])C1 76598370 572379502 /nfs/dbraw/zinc/37/95/02/572379502.db2.gz ICYKADRHMFFXBS-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@]1([NH3+])C[C@@H](C)CC[N@@H+](C)C1 76598366 572379772 /nfs/dbraw/zinc/37/97/72/572379772.db2.gz MFHJQOPHISQOMB-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC(CC)NC[C@H]1CCC[NH2+]1 87156874 572379776 /nfs/dbraw/zinc/37/97/76/572379776.db2.gz AFXWWJFHGIPXKK-SNVBAGLBSA-N 1 1 170.300 1.517 10 0 ADAEMO CC[C@@]1([NH3+])C[C@@H](C)CCN(C)C1 76598366 572379777 /nfs/dbraw/zinc/37/97/77/572379777.db2.gz MFHJQOPHISQOMB-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H]1CC[C@@H](CC[NH3+])[N@@H+](C)CC1 76598379 572380007 /nfs/dbraw/zinc/38/00/07/572380007.db2.gz CVRGEVOJVQACGW-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC(CC)[NH2+]C[C@H](N)C(C)C 87156976 572380098 /nfs/dbraw/zinc/38/00/98/572380098.db2.gz XBAXCGQZYASFJH-JTQLQIEISA-N 1 1 172.316 1.748 10 0 ADAEMO CCC(CC)[NH2+]C[C@@H](N)C(C)C 87156978 572380121 /nfs/dbraw/zinc/38/01/21/572380121.db2.gz XBAXCGQZYASFJH-SNVBAGLBSA-N 1 1 172.316 1.748 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)[C@@H](C)C(C)(C)C 308000811 572380256 /nfs/dbraw/zinc/38/02/56/572380256.db2.gz HGNJCKCBAGCWGF-IUCAKERBSA-N 1 1 173.300 1.734 10 0 ADAEMO CC[C@H](C)[C@H]1C[N@@H+](C)CC[C@@H]1[NH3+] 76598334 572380359 /nfs/dbraw/zinc/38/03/59/572380359.db2.gz FNMDSFPZEQBYCU-AEJSXWLSSA-N 1 1 170.300 1.312 10 0 ADAEMO CCC(CC)[N@@H+](CCC(N)=[NH2+])C1CC1 87157559 572380447 /nfs/dbraw/zinc/38/04/47/572380447.db2.gz ASJQURVRBQSGDC-UHFFFAOYSA-N 1 1 197.326 1.965 10 0 ADAEMO CCC[C@H]1CCC[N@@H+](C)C[C@@H]1[NH3+] 76598345 572380461 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CSCC[C@@H](N)C[NH2+]C(C)(C)C 308005226 572380942 /nfs/dbraw/zinc/38/09/42/572380942.db2.gz KXBLGZSEOAWPGA-MRVPVSSYSA-N 1 1 190.356 1.455 10 0 ADAEMO CC[C@H](C)[C@@H]1C[N@@H+](C)CC[C@@H]1[NH3+] 76598330 572381095 /nfs/dbraw/zinc/38/10/95/572381095.db2.gz FNMDSFPZEQBYCU-GUBZILKMSA-N 1 1 170.300 1.312 10 0 ADAEMO C/C=C\C[N@@H+]1CCC[C@@H](OC)C1 308005552 572381251 /nfs/dbraw/zinc/38/12/51/572381251.db2.gz GMZWMNPGOPNOCR-UMBAGQNISA-N 1 1 169.268 1.673 10 0 ADAEMO C/C=C\C[N@@H+]1CCC[C@H](OC)C1 308005553 572381270 /nfs/dbraw/zinc/38/12/70/572381270.db2.gz GMZWMNPGOPNOCR-XOULXFPDSA-N 1 1 169.268 1.673 10 0 ADAEMO C[C@H]([N@H+](C)[C@H](C)CO)C(C)(C)C 308000807 572381349 /nfs/dbraw/zinc/38/13/49/572381349.db2.gz HGNJCKCBAGCWGF-BDAKNGLRSA-N 1 1 173.300 1.734 10 0 ADAEMO CC(C)(C)[C@H]([NH3+])CCNCCF 308005362 572381440 /nfs/dbraw/zinc/38/14/40/572381440.db2.gz LBNBFHUPUANXIE-MRVPVSSYSA-N 1 1 176.279 1.309 10 0 ADAEMO CCC(CC)NC[C@@H]1CCC[NH2+]1 87156873 572381532 /nfs/dbraw/zinc/38/15/32/572381532.db2.gz AFXWWJFHGIPXKK-JTQLQIEISA-N 1 1 170.300 1.517 10 0 ADAEMO [NH3+][C@@H]1C(=O)Nc2cc3ccccc3cc21 238677266 572381666 /nfs/dbraw/zinc/38/16/66/572381666.db2.gz YHGXWVYAXPFCLO-NSHDSACASA-N 1 1 198.225 1.792 10 0 ADAEMO CCC(CC)[N@@H+]1CCC[C@H]1CNC 87157699 572381681 /nfs/dbraw/zinc/38/16/81/572381681.db2.gz ZZRLYQDKPFXIGH-NSHDSACASA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(CC)[N@@H+]1CCC[C@@H]1CNC 87157697 572381720 /nfs/dbraw/zinc/38/17/20/572381720.db2.gz ZZRLYQDKPFXIGH-LLVKDONJSA-N 1 1 184.327 1.859 10 0 ADAEMO CCCCCC[C@H](N)C[NH2+]CC 238222921 572381899 /nfs/dbraw/zinc/38/18/99/572381899.db2.gz GRYPJJDQUNLHDI-JTQLQIEISA-N 1 1 172.316 1.894 10 0 ADAEMO C[C@H]1CC[C@H](CC[NH3+])[N@@H+](C)CC1 76598377 572381963 /nfs/dbraw/zinc/38/19/63/572381963.db2.gz CVRGEVOJVQACGW-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@]1([NH3+])C[C@H](C)CC[N@@H+](C)C1 76598363 572382048 /nfs/dbraw/zinc/38/20/48/572382048.db2.gz MFHJQOPHISQOMB-NXEZZACHSA-N 1 1 170.300 1.456 10 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/nfs/dbraw/zinc/38/44/20/572384420.db2.gz ZTJMUVGHFOCNFB-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@]1([NH3+])C[C@H](C)CC[N@@H+](C)C1 76598361 572382356 /nfs/dbraw/zinc/38/23/56/572382356.db2.gz MFHJQOPHISQOMB-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@]1([NH3+])C[C@H](C)CCN(C)C1 76598361 572382359 /nfs/dbraw/zinc/38/23/59/572382359.db2.gz MFHJQOPHISQOMB-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC(CC)[NH2+][C@H]1CCC[C@H]1N 87156905 572382844 /nfs/dbraw/zinc/38/28/44/572382844.db2.gz ZBVRANPHECFXDN-ZJUUUORDSA-N 1 1 170.300 1.644 10 0 ADAEMO CCC(CC)[NH2+][C@@H]1CCC[C@H]1N 87156903 572382906 /nfs/dbraw/zinc/38/29/06/572382906.db2.gz ZBVRANPHECFXDN-NXEZZACHSA-N 1 1 170.300 1.644 10 0 ADAEMO CC[N@@H+](CCCO)CC[C@@H](C)F 308001541 572382977 /nfs/dbraw/zinc/38/29/77/572382977.db2.gz ZVPDGLWWDMNACT-SECBINFHSA-N 1 1 177.263 1.439 10 0 ADAEMO CC[N@@H+](CCCO)CC[C@H](C)F 308001542 572383143 /nfs/dbraw/zinc/38/31/43/572383143.db2.gz ZVPDGLWWDMNACT-VIFPVBQESA-N 1 1 177.263 1.439 10 0 ADAEMO CCCCC[C@@H]([NH3+])c1nc[nH]n1 83746131 572383413 /nfs/dbraw/zinc/38/34/13/572383413.db2.gz NUPHDFKACQTTAH-SSDOTTSWSA-N 1 1 168.244 1.385 10 0 ADAEMO CC[C@@H]1CC[C@H]([N@@H+](C)CCO)C1 308001497 572383503 /nfs/dbraw/zinc/38/35/03/572383503.db2.gz ZTJMUVGHFOCNFB-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO Cc1cnn(Cc2ccc[nH+]c2N)c1 52733527 572383557 /nfs/dbraw/zinc/38/35/57/572383557.db2.gz WGCPFFGPPNBYGH-UHFFFAOYSA-N 1 1 188.234 1.217 10 0 ADAEMO CCC[C@H](C)C[C@@H]([NH3+])c1nc[nH]n1 83746326 572383572 /nfs/dbraw/zinc/38/35/72/572383572.db2.gz ZSGRMXNEUFTEHE-JGVFFNPUSA-N 1 1 182.271 1.631 10 0 ADAEMO CC[N@@H+](C)CCC[C@@H]1CCCO1 308001909 572383689 /nfs/dbraw/zinc/38/36/89/572383689.db2.gz AJIGAKFFBYBUNU-SNVBAGLBSA-N 1 1 171.284 1.897 10 0 ADAEMO [NH3+][C@H](CCC(F)(F)F)c1nc[nH]n1 83746190 572383753 /nfs/dbraw/zinc/38/37/53/572383753.db2.gz YXAAHCVYQFBYPC-SCSAIBSYSA-N 1 1 194.160 1.147 10 0 ADAEMO CCCCC(=O)OCc1cnc[nH]1 238226100 572383828 /nfs/dbraw/zinc/38/38/28/572383828.db2.gz UJMWURNZRXLEMA-UHFFFAOYSA-N 1 1 182.223 1.643 10 0 ADAEMO CC[N@@H+](C)CCC[C@H]1CCCO1 308001904 572383849 /nfs/dbraw/zinc/38/38/49/572383849.db2.gz AJIGAKFFBYBUNU-JTQLQIEISA-N 1 1 171.284 1.897 10 0 ADAEMO CO[C@H]1CCC[N@H+]([C@H]2CCC(=O)C2)C1 299921660 572384105 /nfs/dbraw/zinc/38/41/05/572384105.db2.gz ZYVBPTFJLMQZQR-ONGXEEELSA-N 1 1 197.278 1.219 10 0 ADAEMO CCC[C@H](C)C[C@H]([NH3+])c1nc[nH]n1 83746324 572386431 /nfs/dbraw/zinc/38/64/31/572386431.db2.gz ZSGRMXNEUFTEHE-YUMQZZPRSA-N 1 1 182.271 1.631 10 0 ADAEMO COC(=O)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 234539866 572384434 /nfs/dbraw/zinc/38/44/34/572384434.db2.gz RDAHRVSLSFIRBA-DTWKUNHWSA-N 1 1 199.294 1.574 10 0 ADAEMO CCC[C@@H](C)C[C@@H]([NH3+])c1nc[nH]n1 83746325 572384563 /nfs/dbraw/zinc/38/45/63/572384563.db2.gz ZSGRMXNEUFTEHE-HTQZYQBOSA-N 1 1 182.271 1.631 10 0 ADAEMO CO[C@@H]1CCC[N@H+]([C@H]2CCC(=O)C2)C1 299921659 572384576 /nfs/dbraw/zinc/38/45/76/572384576.db2.gz ZYVBPTFJLMQZQR-GXSJLCMTSA-N 1 1 197.278 1.219 10 0 ADAEMO CCC(CC)n1cnc(C[NH3+])n1 87173993 572384614 /nfs/dbraw/zinc/38/46/14/572384614.db2.gz DGIUMNIOGQLXGD-UHFFFAOYSA-N 1 1 168.244 1.098 10 0 ADAEMO CC[C@@H](C)C[C@@H]([NH3+])c1nc[nH]n1 83746182 572384723 /nfs/dbraw/zinc/38/47/23/572384723.db2.gz ISHLMRRIJAKRPX-RNFRBKRXSA-N 1 1 168.244 1.241 10 0 ADAEMO CC[C@@H]1CC[C@@H]([N@@H+](C)CCO)C1 308001493 572385165 /nfs/dbraw/zinc/38/51/65/572385165.db2.gz ZTJMUVGHFOCNFB-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO CCC(CC)[N@@H+](C)C[C@@H](N)COC 87174305 572385353 /nfs/dbraw/zinc/38/53/53/572385353.db2.gz MAYRYXVCILJACC-SECBINFHSA-N 1 1 188.315 1.081 10 0 ADAEMO COC(=O)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C 234539897 572385513 /nfs/dbraw/zinc/38/55/13/572385513.db2.gz RDAHRVSLSFIRBA-RKDXNWHRSA-N 1 1 199.294 1.574 10 0 ADAEMO CC(C)CC[C@H]([NH3+])c1nc[nH]n1 83746144 572385583 /nfs/dbraw/zinc/38/55/83/572385583.db2.gz RECQWQBDIJOTBB-ZETCQYMHSA-N 1 1 168.244 1.241 10 0 ADAEMO CCC[C@@H](C)C[C@H]([NH3+])c1nc[nH]n1 83746323 572387202 /nfs/dbraw/zinc/38/72/02/572387202.db2.gz ZSGRMXNEUFTEHE-SFYZADRCSA-N 1 1 182.271 1.631 10 0 ADAEMO CCC(CC)[N@@H+](C)C[C@H](N)COC 87174302 572385620 /nfs/dbraw/zinc/38/56/20/572385620.db2.gz MAYRYXVCILJACC-VIFPVBQESA-N 1 1 188.315 1.081 10 0 ADAEMO [NH3+][C@@H](CCC(F)(F)F)c1nc[nH]n1 83746191 572385644 /nfs/dbraw/zinc/38/56/44/572385644.db2.gz YXAAHCVYQFBYPC-BYPYZUCNSA-N 1 1 194.160 1.147 10 0 ADAEMO CCC(CC)[N@H+]1CCNC[C@H]1C1CC1 87175466 572387211 /nfs/dbraw/zinc/38/72/11/572387211.db2.gz LXJZUFYMBPYBKQ-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)CC[C@@H]([NH3+])c1nc[nH]n1 83746145 572385733 /nfs/dbraw/zinc/38/57/33/572385733.db2.gz RECQWQBDIJOTBB-SSDOTTSWSA-N 1 1 168.244 1.241 10 0 ADAEMO CC[C@H](C)C[C@H]([NH3+])c1nc[nH]n1 83746181 572387213 /nfs/dbraw/zinc/38/72/13/572387213.db2.gz ISHLMRRIJAKRPX-BQBZGAKWSA-N 1 1 168.244 1.241 10 0 ADAEMO CCC[N@@H+](CCN)CCCCF 308002162 572386116 /nfs/dbraw/zinc/38/61/16/572386116.db2.gz BLZDZHSKNCSCNO-UHFFFAOYSA-N 1 1 176.279 1.407 10 0 ADAEMO CCCN(CC[NH3+])CCCCF 308002162 572386123 /nfs/dbraw/zinc/38/61/23/572386123.db2.gz BLZDZHSKNCSCNO-UHFFFAOYSA-N 1 1 176.279 1.407 10 0 ADAEMO CC[C@H](C)C[C@@H]([NH3+])c1nc[nH]n1 83746183 572386226 /nfs/dbraw/zinc/38/62/26/572386226.db2.gz ISHLMRRIJAKRPX-NKWVEPMBSA-N 1 1 168.244 1.241 10 0 ADAEMO CC[C@@H](C)C[C@H]([NH3+])c1nc[nH]n1 83746180 572386609 /nfs/dbraw/zinc/38/66/09/572386609.db2.gz ISHLMRRIJAKRPX-RQJHMYQMSA-N 1 1 168.244 1.241 10 0 ADAEMO CCCCC[C@H]([NH3+])c1nc[nH]n1 83746130 572387188 /nfs/dbraw/zinc/38/71/88/572387188.db2.gz NUPHDFKACQTTAH-ZETCQYMHSA-N 1 1 168.244 1.385 10 0 ADAEMO CCCCCC[C@@H]([NH3+])c1nc[nH]n1 83746207 572387369 /nfs/dbraw/zinc/38/73/69/572387369.db2.gz PYQCOUQQNBKTMJ-MRVPVSSYSA-N 1 1 182.271 1.775 10 0 ADAEMO CCCCCC[C@H]([NH3+])c1nc[nH]n1 83746206 572387454 /nfs/dbraw/zinc/38/74/54/572387454.db2.gz PYQCOUQQNBKTMJ-QMMMGPOBSA-N 1 1 182.271 1.775 10 0 ADAEMO C[C@H](O)C[N@@H+](C)Cc1ccc(O)cc1 87182643 572387463 /nfs/dbraw/zinc/38/74/63/572387463.db2.gz WPDOPXAEUDDNEE-VIFPVBQESA-N 1 1 195.262 1.205 10 0 ADAEMO CC[C@@H](C)[C@](C)(CN)[NH+]1CCC1 308006185 572388021 /nfs/dbraw/zinc/38/80/21/572388021.db2.gz DIFIAEKQBQSBSR-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCCC[C@H](O)[N@@H+](C)CCO 238224995 572388120 /nfs/dbraw/zinc/38/81/20/572388120.db2.gz CJFBNLJPZSTRGQ-JTQLQIEISA-N 1 1 189.299 1.199 10 0 ADAEMO CCC[P@H+](C[C@H](C)O)C[C@@H](C)O 238226212 572388463 /nfs/dbraw/zinc/38/84/63/572388463.db2.gz DFHPXTTUWKXWOP-USUYBEQLSA-N 1 1 192.239 1.640 10 0 ADAEMO CCOCOc1ccc(C)[nH+]c1N 83755875 572388639 /nfs/dbraw/zinc/38/86/39/572388639.db2.gz VDZATFRELRKXKT-UHFFFAOYSA-N 1 1 182.223 1.345 10 0 ADAEMO COC(=O)[C@H](C)[NH2+]C[C@@H]1CC1(C)C 234537490 572388658 /nfs/dbraw/zinc/38/86/58/572388658.db2.gz WFLQKVOHTTWBAO-YUMQZZPRSA-N 1 1 185.267 1.184 10 0 ADAEMO CCC(CC)[N@H+]1CCNC[C@@H]1C1CC1 87175464 572388843 /nfs/dbraw/zinc/38/88/43/572388843.db2.gz LXJZUFYMBPYBKQ-GFCCVEGCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H](O)C[N@@H+](C)Cc1ccc(O)cc1 87182645 572388891 /nfs/dbraw/zinc/38/88/91/572388891.db2.gz WPDOPXAEUDDNEE-SECBINFHSA-N 1 1 195.262 1.205 10 0 ADAEMO C[NH2+][C@H](C)c1nc([C@@H]2CC2(C)C)no1 234432613 572389088 /nfs/dbraw/zinc/38/90/88/572389088.db2.gz MTQZCEKYRKAUAS-RQJHMYQMSA-N 1 1 195.266 1.864 10 0 ADAEMO CN(CCC[NH3+])Cc1ccc(O)cc1 87177946 572389268 /nfs/dbraw/zinc/38/92/68/572389268.db2.gz XYNVYUFHFFLRSF-UHFFFAOYSA-N 1 1 194.278 1.173 10 0 ADAEMO C[NH2+][C@H](C)c1nc([C@H]2CC2(C)C)no1 234432752 572389334 /nfs/dbraw/zinc/38/93/34/572389334.db2.gz MTQZCEKYRKAUAS-RNFRBKRXSA-N 1 1 195.266 1.864 10 0 ADAEMO CCCC[C@@H](C)[N@@H+](C)[C@H](C)CO 308007148 572392942 /nfs/dbraw/zinc/39/29/42/572392942.db2.gz DPAZEDYXJPXQCE-NXEZZACHSA-N 1 1 173.300 1.878 10 0 ADAEMO CCc1nc([C@@H](C[NH3+])CC(C)C)n[nH]1 87188595 572390611 /nfs/dbraw/zinc/39/06/11/572390611.db2.gz HITCEGNXOVTDRB-MRVPVSSYSA-N 1 1 196.298 1.456 10 0 ADAEMO Cc1nnc([C@H](C[NH3+])CC(C)C)[nH]1 87188589 572390401 /nfs/dbraw/zinc/39/04/01/572390401.db2.gz IQNBVAXONXWSDF-QMMMGPOBSA-N 1 1 182.271 1.202 10 0 ADAEMO Cc1nc([C@H](C[NH3+])CC(C)C)n[nH]1 87188589 572390403 /nfs/dbraw/zinc/39/04/03/572390403.db2.gz IQNBVAXONXWSDF-QMMMGPOBSA-N 1 1 182.271 1.202 10 0 ADAEMO CCc1n[nH]c([C@H](C[NH3+])CC(C)C)n1 87188593 572390524 /nfs/dbraw/zinc/39/05/24/572390524.db2.gz HITCEGNXOVTDRB-QMMMGPOBSA-N 1 1 196.298 1.456 10 0 ADAEMO CCc1nc([C@H](C[NH3+])CC(C)C)n[nH]1 87188593 572390530 /nfs/dbraw/zinc/39/05/30/572390530.db2.gz HITCEGNXOVTDRB-QMMMGPOBSA-N 1 1 196.298 1.456 10 0 ADAEMO CC(C)C[C@@H](C[NH3+])C[N@H+]1CC[C@@H](C)C1 87187405 572390599 /nfs/dbraw/zinc/39/05/99/572390599.db2.gz KDXAQQIWIIKGCK-NEPJUHHUSA-N 1 1 198.354 1.949 10 0 ADAEMO CCc1n[nH]c([C@@H](C[NH3+])CC(C)C)n1 87188595 572390609 /nfs/dbraw/zinc/39/06/09/572390609.db2.gz HITCEGNXOVTDRB-MRVPVSSYSA-N 1 1 196.298 1.456 10 0 ADAEMO CCC[N@@H+](C)C[C@H](C[NH3+])CC(C)C 87187190 572390616 /nfs/dbraw/zinc/39/06/16/572390616.db2.gz BFKKGKPYDXOLOS-NSHDSACASA-N 1 1 186.343 1.949 10 0 ADAEMO CC(C)C[C@H](C[NH3+])C[N@@H+](C)C(C)C 87187113 572390706 /nfs/dbraw/zinc/39/07/06/572390706.db2.gz NUGQFWUOCIYWFM-LLVKDONJSA-N 1 1 186.343 1.948 10 0 ADAEMO CCCCCC[C@H]1C[C@H]([NH3+])C(=O)O1 238227285 572390909 /nfs/dbraw/zinc/39/09/09/572390909.db2.gz RVDSJWOQMHUQQU-IUCAKERBSA-N 1 1 185.267 1.600 10 0 ADAEMO CCc1ncc(C[NH2+]C2COC2)s1 87194716 572390992 /nfs/dbraw/zinc/39/09/92/572390992.db2.gz QADFFCULCKYTBN-UHFFFAOYSA-N 1 1 198.291 1.194 10 0 ADAEMO CCCC[C@H](C)[N@@H+](C)[C@H](C)CO 308007152 572391008 /nfs/dbraw/zinc/39/10/08/572391008.db2.gz DPAZEDYXJPXQCE-VHSXEESVSA-N 1 1 173.300 1.878 10 0 ADAEMO CC[N@@H+](C)C[C@H](C[NH3+])CC(C)C 87187154 572391210 /nfs/dbraw/zinc/39/12/10/572391210.db2.gz WDHFGCIIUNFSDW-JTQLQIEISA-N 1 1 172.316 1.559 10 0 ADAEMO CCC[N@@H+](C)C[C@@H](C[NH3+])CC(C)C 87187192 572391540 /nfs/dbraw/zinc/39/15/40/572391540.db2.gz BFKKGKPYDXOLOS-LLVKDONJSA-N 1 1 186.343 1.949 10 0 ADAEMO CC[C@@H]([NH2+]C1COC1)c1ccco1 87194430 572392088 /nfs/dbraw/zinc/39/20/88/572392088.db2.gz COLTYSWSAVNXKH-SECBINFHSA-N 1 1 181.235 1.719 10 0 ADAEMO Cc1ccc2[nH]nc(C[NH3+])c2c1C 76600814 572392135 /nfs/dbraw/zinc/39/21/35/572392135.db2.gz PNRUYNIBYGPFMJ-UHFFFAOYSA-N 1 1 175.235 1.638 10 0 ADAEMO CC[N@@H+](C)C[C@@H](C[NH3+])CC(C)C 87187157 572392149 /nfs/dbraw/zinc/39/21/49/572392149.db2.gz WDHFGCIIUNFSDW-SNVBAGLBSA-N 1 1 172.316 1.559 10 0 ADAEMO CC(C)C[C@@H](C[NH3+])C[N@@H+](C)CC1CC1 87187307 572392204 /nfs/dbraw/zinc/39/22/04/572392204.db2.gz BKKLXUPXWJSZTD-LBPRGKRZSA-N 1 1 198.354 1.949 10 0 ADAEMO Cc1cc2n[nH]c(C[NH3+])c2cc1C 76600812 572392353 /nfs/dbraw/zinc/39/23/53/572392353.db2.gz AAIZYJMPGGSKJZ-UHFFFAOYSA-N 1 1 175.235 1.638 10 0 ADAEMO CCCCCC[C@H]1C[C@@H]([NH3+])C(=O)O1 238227005 572392894 /nfs/dbraw/zinc/39/28/94/572392894.db2.gz RVDSJWOQMHUQQU-DTWKUNHWSA-N 1 1 185.267 1.600 10 0 ADAEMO Cc1nnc([C@@H](C[NH3+])CC(C)C)[nH]1 87188592 572393087 /nfs/dbraw/zinc/39/30/87/572393087.db2.gz IQNBVAXONXWSDF-MRVPVSSYSA-N 1 1 182.271 1.202 10 0 ADAEMO Cc1nc([C@@H](C[NH3+])CC(C)C)n[nH]1 87188592 572393091 /nfs/dbraw/zinc/39/30/91/572393091.db2.gz IQNBVAXONXWSDF-MRVPVSSYSA-N 1 1 182.271 1.202 10 0 ADAEMO CC[C@H]([NH2+]C1COC1)c1ccco1 87194429 572393296 /nfs/dbraw/zinc/39/32/96/572393296.db2.gz COLTYSWSAVNXKH-VIFPVBQESA-N 1 1 181.235 1.719 10 0 ADAEMO CCCC[C@@H](C)[N@@H+](C)[C@@H](C)CO 308007153 572393328 /nfs/dbraw/zinc/39/33/28/572393328.db2.gz DPAZEDYXJPXQCE-ZJUUUORDSA-N 1 1 173.300 1.878 10 0 ADAEMO CC(C)C[C@H](C[NH3+])C[N@@H+](C)CC1CC1 87187308 572393410 /nfs/dbraw/zinc/39/34/10/572393410.db2.gz BKKLXUPXWJSZTD-GFCCVEGCSA-N 1 1 198.354 1.949 10 0 ADAEMO CC[C@H](C)N[C@H](C[NH3+])c1cccnc1 83760568 572393552 /nfs/dbraw/zinc/39/35/52/572393552.db2.gz NTVKSNQWBPHDKX-GXSJLCMTSA-N 1 1 193.294 1.470 10 0 ADAEMO CC(C)C[C@@H](C[NH3+])C[N@H+]1CC[C@H](C)C1 87187408 572393575 /nfs/dbraw/zinc/39/35/75/572393575.db2.gz KDXAQQIWIIKGCK-RYUDHWBXSA-N 1 1 198.354 1.949 10 0 ADAEMO CCC(CC)C[C@@H]([NH3+])C(=O)OC 44327014 572393767 /nfs/dbraw/zinc/39/37/67/572393767.db2.gz RQHJPGFOLFLDRC-MRVPVSSYSA-N 1 1 173.256 1.313 10 0 ADAEMO Cc1cc(C)c2c(C[NH3+])[nH]nc2c1 76600806 572393856 /nfs/dbraw/zinc/39/38/56/572393856.db2.gz BOZVAUCZRMMIPH-UHFFFAOYSA-N 1 1 175.235 1.638 10 0 ADAEMO CC[C@H](C)[NH2+][C@H](CN)c1ccc(C)o1 83760559 572394464 /nfs/dbraw/zinc/39/44/64/572394464.db2.gz QDJMEHKBQMSBBI-WCBMZHEXSA-N 1 1 196.294 1.976 10 0 ADAEMO Cc1ccc2c(C[NH3+])n[nH]c2c1C 76600818 572393919 /nfs/dbraw/zinc/39/39/19/572393919.db2.gz NJRBSGSUQVZBFR-UHFFFAOYSA-N 1 1 175.235 1.638 10 0 ADAEMO CCCC[C@H](C)[N@@H+](C)[C@@H](C)CO 308007150 572394011 /nfs/dbraw/zinc/39/40/11/572394011.db2.gz DPAZEDYXJPXQCE-UWVGGRQHSA-N 1 1 173.300 1.878 10 0 ADAEMO CC[C@@H](C)[NH2+]CC[NH2+]CCCF 308007318 572394098 /nfs/dbraw/zinc/39/40/98/572394098.db2.gz NAOGLBJCFFDSEA-SECBINFHSA-N 1 1 176.279 1.324 10 0 ADAEMO CCC[C@H](CN)[NH2+]Cc1cccs1 83758605 572394252 /nfs/dbraw/zinc/39/42/52/572394252.db2.gz ULWXNLIQRLOCRZ-SECBINFHSA-N 1 1 198.335 1.965 10 0 ADAEMO CC[C@H](C)[NH2+]CC[NH2+]CCCF 308007319 572394292 /nfs/dbraw/zinc/39/42/92/572394292.db2.gz NAOGLBJCFFDSEA-VIFPVBQESA-N 1 1 176.279 1.324 10 0 ADAEMO Cc1[nH+]ccn1-c1cc(N)cn1C 76601480 572394446 /nfs/dbraw/zinc/39/44/46/572394446.db2.gz STTSHBLBBNXVCS-UHFFFAOYSA-N 1 1 176.223 1.101 10 0 ADAEMO Cc1cc(N)c[nH+]c1N1CC[C@@H](C)C1 52812949 572394903 /nfs/dbraw/zinc/39/49/03/572394903.db2.gz MXZOZDJKKPNTNE-MRVPVSSYSA-N 1 1 191.278 1.818 10 0 ADAEMO CCCC(=O)C[C@@H]1CCC[N@H+]1C 238229312 572394983 /nfs/dbraw/zinc/39/49/83/572394983.db2.gz GDRVLYNYKGQWTJ-VIFPVBQESA-N 1 1 169.268 1.840 10 0 ADAEMO CCC(CC)[N@H+]1CCC[C@@H]1C(=O)OC 87171713 572394989 /nfs/dbraw/zinc/39/49/89/572394989.db2.gz JUZVNVPNPMNXLI-SNVBAGLBSA-N 1 1 199.294 1.812 10 0 ADAEMO CC[C@H](C)N[C@@H](C[NH3+])c1cccnc1 83760563 572395357 /nfs/dbraw/zinc/39/53/57/572395357.db2.gz NTVKSNQWBPHDKX-ONGXEEELSA-N 1 1 193.294 1.470 10 0 ADAEMO CC(C)[C@@H](CN)[NH2+]Cc1cccs1 83758647 572395407 /nfs/dbraw/zinc/39/54/07/572395407.db2.gz MSBODSPADRQGBN-SNVBAGLBSA-N 1 1 198.335 1.821 10 0 ADAEMO CC[C@@H](CN)[NH2+]Cc1cccs1 83758622 572395389 /nfs/dbraw/zinc/39/53/89/572395389.db2.gz JADSXRQYDQDPNL-QMMMGPOBSA-N 1 1 184.308 1.575 10 0 ADAEMO COC(=O)[C@H](C)[NH2+]C[C@H]1CC1(C)C 234538338 572395416 /nfs/dbraw/zinc/39/54/16/572395416.db2.gz WFLQKVOHTTWBAO-JGVFFNPUSA-N 1 1 185.267 1.184 10 0 ADAEMO Cc1cc(N)c[nH+]c1N1CC[C@H](C)C1 52812948 572395530 /nfs/dbraw/zinc/39/55/30/572395530.db2.gz MXZOZDJKKPNTNE-QMMMGPOBSA-N 1 1 191.278 1.818 10 0 ADAEMO CC[C@](C)(CN)[NH2+]Cc1cccs1 83758650 572396113 /nfs/dbraw/zinc/39/61/13/572396113.db2.gz BOCNNLQENNOQFR-SNVBAGLBSA-N 1 1 198.335 1.965 10 0 ADAEMO CCCN(C)C[C@@H]([NH3+])CC1CC1 308009507 572396290 /nfs/dbraw/zinc/39/62/90/572396290.db2.gz OLVLRALDLYCPJI-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[N@H+](C)C[C@@H](N)CC1CC1 308009507 572396294 /nfs/dbraw/zinc/39/62/94/572396294.db2.gz OLVLRALDLYCPJI-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[N@@H+](C)C[C@@H](N)CC1CC1 308009507 572396298 /nfs/dbraw/zinc/39/62/98/572396298.db2.gz OLVLRALDLYCPJI-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@H](C)[NH2+][C@@H](CN)c1ccc(C)o1 83760553 572396342 /nfs/dbraw/zinc/39/63/42/572396342.db2.gz QDJMEHKBQMSBBI-SCZZXKLOSA-N 1 1 196.294 1.976 10 0 ADAEMO CC[N@@H+](C[C@H](C)O)CC1(F)CC1 308009613 572396387 /nfs/dbraw/zinc/39/63/87/572396387.db2.gz LBJWDCQIHDIEQQ-QMMMGPOBSA-N 1 1 175.247 1.191 10 0 ADAEMO CC[C@@](C)(CN)[NH2+]Cc1cccs1 83758649 572396768 /nfs/dbraw/zinc/39/67/68/572396768.db2.gz BOCNNLQENNOQFR-JTQLQIEISA-N 1 1 198.335 1.965 10 0 ADAEMO CC[C@H](F)C[N@@H+](C)C1CC(O)C1 308008707 572396984 /nfs/dbraw/zinc/39/69/84/572396984.db2.gz JZHURPWUEBEBEK-UEJVZZJDSA-N 1 1 175.247 1.190 10 0 ADAEMO CCC(CC)[N@H+]1CCC[C@H]1C(=O)OC 87171715 572397105 /nfs/dbraw/zinc/39/71/05/572397105.db2.gz JUZVNVPNPMNXLI-JTQLQIEISA-N 1 1 199.294 1.812 10 0 ADAEMO CC[C@@H](C)[NH2+][C@H](CN)c1ccc(C)o1 83760557 572397119 /nfs/dbraw/zinc/39/71/19/572397119.db2.gz QDJMEHKBQMSBBI-PSASIEDQSA-N 1 1 196.294 1.976 10 0 ADAEMO CCCC(=O)C[C@H]1CCC[N@H+]1C 238229801 572397291 /nfs/dbraw/zinc/39/72/91/572397291.db2.gz GDRVLYNYKGQWTJ-SECBINFHSA-N 1 1 169.268 1.840 10 0 ADAEMO CC[C@@H](F)C[N@@H+](C)C1CC(O)C1 308008704 572397346 /nfs/dbraw/zinc/39/73/46/572397346.db2.gz JZHURPWUEBEBEK-AFPNSQJFSA-N 1 1 175.247 1.190 10 0 ADAEMO CCC(CC)[C@@H]([NH3+])c1nc[nH]n1 87170771 572397585 /nfs/dbraw/zinc/39/75/85/572397585.db2.gz KUVREUDBONOFHU-SSDOTTSWSA-N 1 1 168.244 1.241 10 0 ADAEMO CC(C)(CN)[NH2+]Cc1cccs1 83758695 572397713 /nfs/dbraw/zinc/39/77/13/572397713.db2.gz WCKCFIJGODZYFK-UHFFFAOYSA-N 1 1 184.308 1.575 10 0 ADAEMO CC[C@@H](C)N[C@@H](C[NH3+])c1cccnc1 83760560 572397722 /nfs/dbraw/zinc/39/77/22/572397722.db2.gz NTVKSNQWBPHDKX-KOLCDFICSA-N 1 1 193.294 1.470 10 0 ADAEMO CC[C@H](C)[NH2+][C@@H](CN)c1ccc(C)o1 83760555 572398039 /nfs/dbraw/zinc/39/80/39/572398039.db2.gz QDJMEHKBQMSBBI-WPRPVWTQSA-N 1 1 196.294 1.976 10 0 ADAEMO CC[C@@H](C)N[C@H](C[NH3+])c1cccnc1 83760566 572398050 /nfs/dbraw/zinc/39/80/50/572398050.db2.gz NTVKSNQWBPHDKX-MWLCHTKSSA-N 1 1 193.294 1.470 10 0 ADAEMO C=C/C=C/CCN1CCC([NH2+]C)CC1 713701393 572398437 /nfs/dbraw/zinc/39/84/37/572398437.db2.gz HJCOLTRLSKUTBL-SNAWJCMRSA-N 1 1 194.322 1.803 10 0 ADAEMO CC(C)C[NH2+][C@@H](CN)c1ccco1 83761781 572398550 /nfs/dbraw/zinc/39/85/50/572398550.db2.gz RTHFOFFSHJLROL-VIFPVBQESA-N 1 1 182.267 1.525 10 0 ADAEMO CC(C)C[NH2+][C@H](CN)c1ccoc1 83762041 572398590 /nfs/dbraw/zinc/39/85/90/572398590.db2.gz UPTFFPBFEZUEQG-SNVBAGLBSA-N 1 1 182.267 1.525 10 0 ADAEMO CCC(CC)[N@@H+](C)CC1CC(O)C1 87171765 572398815 /nfs/dbraw/zinc/39/88/15/572398815.db2.gz YPYYXUJRCMLXGW-UHFFFAOYSA-N 1 1 185.311 1.878 10 0 ADAEMO [NH3+]C[C@@H](NCC1CC1)c1ccccc1 83763540 572399496 /nfs/dbraw/zinc/39/94/96/572399496.db2.gz ZNAMRBUZFJZPTH-GFCCVEGCSA-N 1 1 190.290 1.686 10 0 ADAEMO C[C@H](CO)[N@@H+](CC1CC1)C1CC1 308013899 572399594 /nfs/dbraw/zinc/39/95/94/572399594.db2.gz QJTMPEHTDQOUIY-MRVPVSSYSA-N 1 1 169.268 1.242 10 0 ADAEMO [NH3+]C[C@@H](NCC1CC1)c1cccnc1 83763528 572399664 /nfs/dbraw/zinc/39/96/64/572399664.db2.gz RYBWGRQZBHWDRW-LLVKDONJSA-N 1 1 191.278 1.081 10 0 ADAEMO NCC1([NH2+]C[C@@H]2CCCO2)CCCC1 83774393 572399698 /nfs/dbraw/zinc/39/96/98/572399698.db2.gz ZCDZVRSPGUANAZ-JTQLQIEISA-N 1 1 198.310 1.027 10 0 ADAEMO CC[C@@H](C)[NH2+][C@@H](CN)c1ccoc1 83761267 572400087 /nfs/dbraw/zinc/40/00/87/572400087.db2.gz QKYLHGAKBPDJDK-SCZZXKLOSA-N 1 1 182.267 1.668 10 0 ADAEMO CC[C@H](C)[NH2+][C@@H](CN)c1ccoc1 83761269 572400170 /nfs/dbraw/zinc/40/01/70/572400170.db2.gz QKYLHGAKBPDJDK-WPRPVWTQSA-N 1 1 182.267 1.668 10 0 ADAEMO [NH3+]C[C@H](NCC1CC1)c1cccs1 83763347 572400224 /nfs/dbraw/zinc/40/02/24/572400224.db2.gz GDRUNBVACBANQJ-VIFPVBQESA-N 1 1 196.319 1.748 10 0 ADAEMO CC(C)CN[C@H](C[NH3+])c1cccnc1 83761540 572400354 /nfs/dbraw/zinc/40/03/54/572400354.db2.gz SXLVEXGLAVRNFJ-LLVKDONJSA-N 1 1 193.294 1.327 10 0 ADAEMO CC(C)CN[C@@H](C[NH3+])c1cccnc1 83761539 572400514 /nfs/dbraw/zinc/40/05/14/572400514.db2.gz SXLVEXGLAVRNFJ-NSHDSACASA-N 1 1 193.294 1.327 10 0 ADAEMO NC[C@H]([NH2+]CC1CC1)c1ccco1 83763761 572400633 /nfs/dbraw/zinc/40/06/33/572400633.db2.gz LRHJYAUKKFLXPG-VIFPVBQESA-N 1 1 180.251 1.279 10 0 ADAEMO CCC[C@H](C)[NH2+]CC(C)(C)NC 308013573 572400734 /nfs/dbraw/zinc/40/07/34/572400734.db2.gz GPWOTVMRDTYMRJ-VIFPVBQESA-N 1 1 172.316 1.763 10 0 ADAEMO CC(C)CN[C@@H](C[NH3+])c1ccsc1 83762064 572400793 /nfs/dbraw/zinc/40/07/93/572400793.db2.gz LSXNGYBGQXFQAV-JTQLQIEISA-N 1 1 198.335 1.994 10 0 ADAEMO CC[C@@H](C)[NH2+][C@H](CN)c1ccoc1 83761271 572401057 /nfs/dbraw/zinc/40/10/57/572401057.db2.gz QKYLHGAKBPDJDK-PSASIEDQSA-N 1 1 182.267 1.668 10 0 ADAEMO CC(C)C[NH2+][C@@H](CN)c1ccoc1 83762037 572401153 /nfs/dbraw/zinc/40/11/53/572401153.db2.gz UPTFFPBFEZUEQG-JTQLQIEISA-N 1 1 182.267 1.525 10 0 ADAEMO CC[C@@H](O)C[N@@H+](C)C[C@H]1C[C@H]1C 308013653 572401162 /nfs/dbraw/zinc/40/11/62/572401162.db2.gz GQWAZECPJYXICA-OPRDCNLKSA-N 1 1 171.284 1.345 10 0 ADAEMO CC[C@@H](O)C[N@@H+](C)C[C@H]1C[C@@H]1C 308013641 572401196 /nfs/dbraw/zinc/40/11/96/572401196.db2.gz GQWAZECPJYXICA-IVZWLZJFSA-N 1 1 171.284 1.345 10 0 ADAEMO CC[C@H](C)[NH2+][C@H](CN)c1ccoc1 83761272 572401284 /nfs/dbraw/zinc/40/12/84/572401284.db2.gz QKYLHGAKBPDJDK-WCBMZHEXSA-N 1 1 182.267 1.668 10 0 ADAEMO NCC1([NH2+]C[C@H]2CCCO2)CCCC1 83774395 572401389 /nfs/dbraw/zinc/40/13/89/572401389.db2.gz ZCDZVRSPGUANAZ-SNVBAGLBSA-N 1 1 198.310 1.027 10 0 ADAEMO O=C1C[NH2+]CC[C@@H]1Cc1ccco1 76603187 572401508 /nfs/dbraw/zinc/40/15/08/572401508.db2.gz DMJSUMKPGWHBPD-MRVPVSSYSA-N 1 1 179.219 1.001 10 0 ADAEMO Cc1ccc([C@@H](CN)[NH2+]CC(C)C)o1 83761535 572401611 /nfs/dbraw/zinc/40/16/11/572401611.db2.gz MSZIMUPMZXGOKS-SNVBAGLBSA-N 1 1 196.294 1.833 10 0 ADAEMO C[C@@H](CO)[N@@H+](CC1CC1)C1CC1 308013900 572401670 /nfs/dbraw/zinc/40/16/70/572401670.db2.gz QJTMPEHTDQOUIY-QMMMGPOBSA-N 1 1 169.268 1.242 10 0 ADAEMO [NH3+]C[C@@H](NCC1CC1)c1cccs1 83763345 572401735 /nfs/dbraw/zinc/40/17/35/572401735.db2.gz GDRUNBVACBANQJ-SECBINFHSA-N 1 1 196.319 1.748 10 0 ADAEMO Cc1ccc([C@@H](CN)[NH2+]CC2CC2)o1 83763523 572402225 /nfs/dbraw/zinc/40/22/25/572402225.db2.gz AQQJRYNSRAGHJC-SNVBAGLBSA-N 1 1 194.278 1.587 10 0 ADAEMO CCC[C@@H](C)[NH2+]CC(C)(C)NC 308012965 572402422 /nfs/dbraw/zinc/40/24/22/572402422.db2.gz GPWOTVMRDTYMRJ-SECBINFHSA-N 1 1 172.316 1.763 10 0 ADAEMO CCCNC(=O)CC1=CC[N@@H+](C)CC1 238230424 572402605 /nfs/dbraw/zinc/40/26/05/572402605.db2.gz BACFBTBBEULNCV-UHFFFAOYSA-N 1 1 196.294 1.165 10 0 ADAEMO [NH3+]C[C@H](NCC1CC1)c1ccccc1 83763542 572402696 /nfs/dbraw/zinc/40/26/96/572402696.db2.gz ZNAMRBUZFJZPTH-LBPRGKRZSA-N 1 1 190.290 1.686 10 0 ADAEMO Cc1ccc([C@H](CN)[NH2+]CC(C)C)o1 83761536 572401957 /nfs/dbraw/zinc/40/19/57/572401957.db2.gz MSZIMUPMZXGOKS-JTQLQIEISA-N 1 1 196.294 1.833 10 0 ADAEMO [NH3+]C[C@H](NCC1CC1)c1cccnc1 83763529 572401983 /nfs/dbraw/zinc/40/19/83/572401983.db2.gz RYBWGRQZBHWDRW-NSHDSACASA-N 1 1 191.278 1.081 10 0 ADAEMO CCc1[nH+]c(C2CCCC2)n(N)c1N 52839482 572401985 /nfs/dbraw/zinc/40/19/85/572401985.db2.gz QKWOXSCAUIBUPI-UHFFFAOYSA-N 1 1 194.282 1.399 10 0 ADAEMO NC[C@@H]([NH2+]CC1CC1)c1ccoc1 83763949 572401996 /nfs/dbraw/zinc/40/19/96/572401996.db2.gz KVZDRPUKAKBJNA-SNVBAGLBSA-N 1 1 180.251 1.279 10 0 ADAEMO C[C@H]([NH2+]CC1CC1)c1ncon1 308012953 572402005 /nfs/dbraw/zinc/40/20/05/572402005.db2.gz GPFBQCBAKYCTFE-LURJTMIESA-N 1 1 167.212 1.130 10 0 ADAEMO CCC(CC)c1[nH+]cn(N)c1N 52838013 572402089 /nfs/dbraw/zinc/40/20/89/572402089.db2.gz WHTMQVKMEOHOJI-UHFFFAOYSA-N 1 1 168.244 1.083 10 0 ADAEMO CC(C)Cc1[nH+]c(C2CC2)n(N)c1N 52838947 572402192 /nfs/dbraw/zinc/40/21/92/572402192.db2.gz SWQPAJKLFUEKQW-UHFFFAOYSA-N 1 1 194.282 1.255 10 0 ADAEMO NC[C@@H]([NH2+]C1CCCC1)c1ccco1 83762551 572402359 /nfs/dbraw/zinc/40/23/59/572402359.db2.gz VFGNKUGNKXMJRU-SNVBAGLBSA-N 1 1 194.278 1.812 10 0 ADAEMO Cc1[nH+]c(C2CCCCC2)n(N)c1N 52839767 572402375 /nfs/dbraw/zinc/40/23/75/572402375.db2.gz FUUPOKFHJCHCKV-UHFFFAOYSA-N 1 1 194.282 1.535 10 0 ADAEMO Cc1ccc([C@H](CN)[NH2+]CC2CC2)o1 83763525 572402440 /nfs/dbraw/zinc/40/24/40/572402440.db2.gz AQQJRYNSRAGHJC-JTQLQIEISA-N 1 1 194.278 1.587 10 0 ADAEMO CC[C@@H](O)C[N@@H+](C)C[C@@H]1C[C@H]1C 308013646 572402454 /nfs/dbraw/zinc/40/24/54/572402454.db2.gz GQWAZECPJYXICA-KXUCPTDWSA-N 1 1 171.284 1.345 10 0 ADAEMO CC[C@H](C)c1[nH+]c(C(C)C)n(N)c1N 52839880 572402457 /nfs/dbraw/zinc/40/24/57/572402457.db2.gz VHTOCAZMBUXZBS-ZETCQYMHSA-N 1 1 196.298 1.816 10 0 ADAEMO NC[C@H]([NH2+]C1CCCC1)c1ccoc1 83762752 572403602 /nfs/dbraw/zinc/40/36/02/572403602.db2.gz BTGMPTKXGRWRNJ-NSHDSACASA-N 1 1 194.278 1.812 10 0 ADAEMO NC[C@H]([NH2+]C1CCCC1)c1ccco1 83762554 572402643 /nfs/dbraw/zinc/40/26/43/572402643.db2.gz VFGNKUGNKXMJRU-JTQLQIEISA-N 1 1 194.278 1.812 10 0 ADAEMO Cc1[nH+]c(C2CCCCC2)c(N)n1N 52838331 572402714 /nfs/dbraw/zinc/40/27/14/572402714.db2.gz TZZDJHLBOIMTJG-UHFFFAOYSA-N 1 1 194.282 1.535 10 0 ADAEMO CC[C@@H](C)c1[nH+]c(C(C)C)n(N)c1N 52839878 572402769 /nfs/dbraw/zinc/40/27/69/572402769.db2.gz VHTOCAZMBUXZBS-SSDOTTSWSA-N 1 1 196.298 1.816 10 0 ADAEMO [NH3+]C[C@@H](NCC1CC1)c1ccsc1 83763967 572402788 /nfs/dbraw/zinc/40/27/88/572402788.db2.gz XCVRFGFNGANXJC-SNVBAGLBSA-N 1 1 196.319 1.748 10 0 ADAEMO C[C@@H]([NH2+]CC1CC1)c1ncon1 308012955 572402797 /nfs/dbraw/zinc/40/27/97/572402797.db2.gz GPFBQCBAKYCTFE-ZCFIWIBFSA-N 1 1 167.212 1.130 10 0 ADAEMO CC(C)CN[C@H](C[NH3+])c1ccsc1 83762067 572403003 /nfs/dbraw/zinc/40/30/03/572403003.db2.gz LSXNGYBGQXFQAV-SNVBAGLBSA-N 1 1 198.335 1.994 10 0 ADAEMO CCC[C@@]1(C(=O)CC)[NH2+]CCS1 238233875 572404841 /nfs/dbraw/zinc/40/48/41/572404841.db2.gz UPHJLFCDUULHNR-SECBINFHSA-N 1 1 187.308 1.798 10 0 ADAEMO NC[C@H]([NH2+]CC1CC1)c1ccoc1 83763951 572403028 /nfs/dbraw/zinc/40/30/28/572403028.db2.gz KVZDRPUKAKBJNA-JTQLQIEISA-N 1 1 180.251 1.279 10 0 ADAEMO [NH3+]C[C@H](NCC1CC1)c1ccsc1 83763969 572403084 /nfs/dbraw/zinc/40/30/84/572403084.db2.gz XCVRFGFNGANXJC-JTQLQIEISA-N 1 1 196.319 1.748 10 0 ADAEMO C[N@H+]1CC[C@H](N)[C@@H]1C1CCCCC1 76607625 572406498 /nfs/dbraw/zinc/40/64/98/572406498.db2.gz QAHHBJRKRFENLS-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO NC[C@@H]([NH2+]CC1CC1)c1ccco1 83763759 572403263 /nfs/dbraw/zinc/40/32/63/572403263.db2.gz LRHJYAUKKFLXPG-SECBINFHSA-N 1 1 180.251 1.279 10 0 ADAEMO NC[C@@H]([NH2+]C1CCCC1)c1ccoc1 83762750 572403376 /nfs/dbraw/zinc/40/33/76/572403376.db2.gz BTGMPTKXGRWRNJ-LLVKDONJSA-N 1 1 194.278 1.812 10 0 ADAEMO CC(C)C[NH2+][C@H](CN)c1ccco1 83761783 572403575 /nfs/dbraw/zinc/40/35/75/572403575.db2.gz RTHFOFFSHJLROL-SECBINFHSA-N 1 1 182.267 1.525 10 0 ADAEMO C[N@H+]1CCC[C@@H](N)[C@@H]1C1CCCC1 76607632 572403855 /nfs/dbraw/zinc/40/38/55/572403855.db2.gz SJXMQSSJNBRLQP-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO CN1CCC[C@@H]([NH3+])[C@@H]1C1CCCC1 76607632 572403862 /nfs/dbraw/zinc/40/38/62/572403862.db2.gz SJXMQSSJNBRLQP-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO CN1[C@@H]2C[NH2+]CC[C@H]2CCC1(C)C 76607676 572403999 /nfs/dbraw/zinc/40/39/99/572403999.db2.gz PIWDPSMAWSPMAJ-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1[C@H]2CC(C)(C)[NH2+][C@@H]2CCN1C 76607502 572404055 /nfs/dbraw/zinc/40/40/55/572404055.db2.gz ONOXKWDGTMJDRX-OPRDCNLKSA-N 1 1 182.311 1.467 10 0 ADAEMO C[N@@H+]1CC[C@@H](N)[C@@H]1C1CCCCC1 76607627 572404072 /nfs/dbraw/zinc/40/40/72/572404072.db2.gz QAHHBJRKRFENLS-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CC[C@@H](N)[C@@H]1C1CCCCC1 76607627 572404074 /nfs/dbraw/zinc/40/40/74/572404074.db2.gz QAHHBJRKRFENLS-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@H]([NH3+])[C@H](C)Cc1cc(C)n[nH]1 76605964 572404127 /nfs/dbraw/zinc/40/41/27/572404127.db2.gz ZNUIZAOOHWLVTN-XCBNKYQSSA-N 1 1 181.283 1.634 10 0 ADAEMO C[C@@H]1C[C@H]2[NH2+]C(C)(C)C[C@H]2CN1C 76607487 572404267 /nfs/dbraw/zinc/40/42/67/572404267.db2.gz TZAYKWYFIQRSTM-KXUCPTDWSA-N 1 1 182.311 1.467 10 0 ADAEMO CSCC[C@@H]([NH3+])C[N@@H+](C)C(C)C 308015648 572404304 /nfs/dbraw/zinc/40/43/04/572404304.db2.gz RELCPGLSCKBZOE-SECBINFHSA-N 1 1 190.356 1.407 10 0 ADAEMO CSCC[C@@H]([NH3+])CN(C)C(C)C 308015648 572404307 /nfs/dbraw/zinc/40/43/07/572404307.db2.gz RELCPGLSCKBZOE-SECBINFHSA-N 1 1 190.356 1.407 10 0 ADAEMO CSCC[C@@H](N)C[N@H+](C)C(C)C 308015648 572404309 /nfs/dbraw/zinc/40/43/09/572404309.db2.gz RELCPGLSCKBZOE-SECBINFHSA-N 1 1 190.356 1.407 10 0 ADAEMO CSCC[C@@H](N)C[N@@H+](C)C(C)C 308015648 572404312 /nfs/dbraw/zinc/40/43/12/572404312.db2.gz RELCPGLSCKBZOE-SECBINFHSA-N 1 1 190.356 1.407 10 0 ADAEMO CN1CC[C@@H]2[NH2+]C(C)(C)CC[C@H]2C1 76607657 572404522 /nfs/dbraw/zinc/40/45/22/572404522.db2.gz QGEHTOUWCMUMAZ-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO CN1CC[C@@H]2[NH2+]C(C)(C)CC[C@@H]2C1 76607655 572404638 /nfs/dbraw/zinc/40/46/38/572404638.db2.gz QGEHTOUWCMUMAZ-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO CN1[C@H]2CC[NH2+]C[C@@H]2CCC1(C)C 76607662 572404701 /nfs/dbraw/zinc/40/47/01/572404701.db2.gz VCLFTTYKZNEAOM-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC[C@H]([NH3+])CN1CCC(C)(C)C1 87252047 572409693 /nfs/dbraw/zinc/40/96/93/572409693.db2.gz SPPAOHNXDZNECQ-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO C[N@H+]1CCC[C@H](N)[C@@H]1C1CCCC1 76607630 572405221 /nfs/dbraw/zinc/40/52/21/572405221.db2.gz SJXMQSSJNBRLQP-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO CN1CCC[C@H]([NH3+])[C@@H]1C1CCCC1 76607630 572405223 /nfs/dbraw/zinc/40/52/23/572405223.db2.gz SJXMQSSJNBRLQP-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO CN1[C@@H]2CC[NH2+]C[C@@H]2CCC1(C)C 76607669 572405377 /nfs/dbraw/zinc/40/53/77/572405377.db2.gz VCLFTTYKZNEAOM-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO CN1[C@H]2C[NH2+]CC[C@@H]2CCC1(C)C 76607674 572405427 /nfs/dbraw/zinc/40/54/27/572405427.db2.gz PIWDPSMAWSPMAJ-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO CN1[C@@H]2CC[NH2+]C[C@H]2CCC1(C)C 76607665 572405581 /nfs/dbraw/zinc/40/55/81/572405581.db2.gz VCLFTTYKZNEAOM-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO Nc1ccc2[nH]c(-n3ccnc3)[nH+]c2c1 87225437 572405862 /nfs/dbraw/zinc/40/58/62/572405862.db2.gz GNUHEYMLNIOUEO-UHFFFAOYSA-N 1 1 199.217 1.331 10 0 ADAEMO CN1[C@H]2C[NH2+]CC[C@H]2CCC1(C)C 76607672 572405922 /nfs/dbraw/zinc/40/59/22/572405922.db2.gz PIWDPSMAWSPMAJ-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H]([NH3+])[C@@H](C)Cc1cc(C)n[nH]1 76605961 572406038 /nfs/dbraw/zinc/40/60/38/572406038.db2.gz ZNUIZAOOHWLVTN-OIBJUYFYSA-N 1 1 181.283 1.634 10 0 ADAEMO CN1[C@H]2CC[NH2+]C[C@H]2CCC1(C)C 76607660 572406200 /nfs/dbraw/zinc/40/62/00/572406200.db2.gz VCLFTTYKZNEAOM-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO CN(Cc1ccc(C[NH3+])cn1)C1CC1 87223111 572406203 /nfs/dbraw/zinc/40/62/03/572406203.db2.gz MFYNVSDBHBSZGT-UHFFFAOYSA-N 1 1 191.278 1.135 10 0 ADAEMO CN1[C@@H]2C[NH2+]CC[C@@H]2CCC1(C)C 76607679 572406252 /nfs/dbraw/zinc/40/62/52/572406252.db2.gz PIWDPSMAWSPMAJ-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1[C@@H]2CC(C)(C)[NH2+][C@@H]2CCN1C 76607497 572406287 /nfs/dbraw/zinc/40/62/87/572406287.db2.gz ONOXKWDGTMJDRX-KXUCPTDWSA-N 1 1 182.311 1.467 10 0 ADAEMO C[N@@H+]1CC[C@H](N)[C@@H]1C1CCCCC1 76607625 572406495 /nfs/dbraw/zinc/40/64/95/572406495.db2.gz QAHHBJRKRFENLS-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@H]([NH3+])[C@H](C)Cc1cc(C)n[nH]1 76605967 572406591 /nfs/dbraw/zinc/40/65/91/572406591.db2.gz ZNUIZAOOHWLVTN-GMSGAONNSA-N 1 1 181.283 1.634 10 0 ADAEMO COC(=O)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C 234541571 572406772 /nfs/dbraw/zinc/40/67/72/572406772.db2.gz RDAHRVSLSFIRBA-IUCAKERBSA-N 1 1 199.294 1.574 10 0 ADAEMO C[C@@H]1C[C@@H]2[NH2+]C(C)(C)C[C@H]2CN1C 76607494 572406797 /nfs/dbraw/zinc/40/67/97/572406797.db2.gz TZAYKWYFIQRSTM-UTLUCORTSA-N 1 1 182.311 1.467 10 0 ADAEMO CC[NH2+]Cc1ccc(CN(C)C)nc1 87223068 572406897 /nfs/dbraw/zinc/40/68/97/572406897.db2.gz LAZSNYBEBXQLKE-UHFFFAOYSA-N 1 1 193.294 1.253 10 0 ADAEMO C[N@H+]1CC[C@H](Nc2cccs2)C1 76607352 572406975 /nfs/dbraw/zinc/40/69/75/572406975.db2.gz RRLYPDDPKHCSDD-QMMMGPOBSA-N 1 1 182.292 1.864 10 0 ADAEMO CC[C@H]([NH3+])[C@@H](C)Cc1cc(C)n[nH]1 76605957 572407167 /nfs/dbraw/zinc/40/71/67/572407167.db2.gz ZNUIZAOOHWLVTN-XVKPBYJWSA-N 1 1 181.283 1.634 10 0 ADAEMO C1C[C@@H](CC[N@@H+]2CCSC2)CO1 687823830 572407487 /nfs/dbraw/zinc/40/74/87/572407487.db2.gz HSLPMDJYAYSQTH-SECBINFHSA-N 1 1 187.308 1.419 10 0 ADAEMO C1C[C@@H](CC[N@H+]2CCSC2)CO1 687823830 572407491 /nfs/dbraw/zinc/40/74/91/572407491.db2.gz HSLPMDJYAYSQTH-SECBINFHSA-N 1 1 187.308 1.419 10 0 ADAEMO Cc1cc(C[C@@H]2CCC[C@H]2[NH3+])[nH]n1 76603561 572407547 /nfs/dbraw/zinc/40/75/47/572407547.db2.gz QJRPXICANLPDJI-WCBMZHEXSA-N 1 1 179.267 1.388 10 0 ADAEMO CC(C)[C@@H]([NH3+])c1nnc(CC2CC2)o1 238792090 572407641 /nfs/dbraw/zinc/40/76/41/572407641.db2.gz MKHUILSXSHXJKR-SECBINFHSA-N 1 1 195.266 1.678 10 0 ADAEMO C[C@@H]1C[C@@H]2CN3CCC(CC3)[C@@H]2[NH2+]1 76604545 572407714 /nfs/dbraw/zinc/40/77/14/572407714.db2.gz TWCQNNHIELYQBH-IEBDPFPHSA-N 1 1 180.295 1.079 10 0 ADAEMO CCC1(CC)CC[N@@H+](CC2(N)CC2)C1 87255285 572408081 /nfs/dbraw/zinc/40/80/81/572408081.db2.gz AUSOTGLRMCBAFQ-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO CCC1(CC)CCN(CC2([NH3+])CC2)C1 87255285 572408083 /nfs/dbraw/zinc/40/80/83/572408083.db2.gz AUSOTGLRMCBAFQ-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO C[C@H]1CCC[C@@H]([N@H+](C)C[C@@H](C)N)C1 44384192 572408209 /nfs/dbraw/zinc/40/82/09/572408209.db2.gz DXJNAFJOTOOVTQ-HBNTYKKESA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1CCC[C@@H](N(C)C[C@@H](C)[NH3+])C1 44384192 572408212 /nfs/dbraw/zinc/40/82/12/572408212.db2.gz DXJNAFJOTOOVTQ-HBNTYKKESA-N 1 1 184.327 1.844 10 0 ADAEMO C1C[C@H](CC[N@@H+]2CCSC2)CO1 687823831 572408325 /nfs/dbraw/zinc/40/83/25/572408325.db2.gz HSLPMDJYAYSQTH-VIFPVBQESA-N 1 1 187.308 1.419 10 0 ADAEMO C1C[C@H](CC[N@H+]2CCSC2)CO1 687823831 572408327 /nfs/dbraw/zinc/40/83/27/572408327.db2.gz HSLPMDJYAYSQTH-VIFPVBQESA-N 1 1 187.308 1.419 10 0 ADAEMO Cc1cc(C[C@H]2CCC[C@H]2[NH3+])[nH]n1 76603566 572408402 /nfs/dbraw/zinc/40/84/02/572408402.db2.gz QJRPXICANLPDJI-PSASIEDQSA-N 1 1 179.267 1.388 10 0 ADAEMO COC(=O)[C@@H](C)C[N@H+]1CCC(C)(C)C1 87256560 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CCC[NH2+]Cc1nc([C@H]2C[C@H]2C)no1 83805004 572416868 /nfs/dbraw/zinc/41/68/68/572416868.db2.gz MRLYBDRGSKLIBT-SFYZADRCSA-N 1 1 195.266 1.693 10 0 ADAEMO CCOC(=O)[C@@H]1[NH2+]CC=C1C(C)C 238796597 572417060 /nfs/dbraw/zinc/41/70/60/572417060.db2.gz NNCWRZLOLFZPHG-SECBINFHSA-N 1 1 183.251 1.104 10 0 ADAEMO CC[NH2+]Cc1c[nH]c([C@@H]2C[C@@H]2C)n1 83810692 572416752 /nfs/dbraw/zinc/41/67/52/572416752.db2.gz FPHCJCRXCBSERN-IONNQARKSA-N 1 1 179.267 1.643 10 0 ADAEMO CCCC[C@@]1(CC)C[C@@H]([NH3+])C(=O)O1 238796333 572416802 /nfs/dbraw/zinc/41/68/02/572416802.db2.gz BWDDOQWTXZEUKG-SCZZXKLOSA-N 1 1 185.267 1.600 10 0 ADAEMO c1cn2cncc2cc1[C@@H]1CCC[NH2+]1 107173491 572416926 /nfs/dbraw/zinc/41/69/26/572416926.db2.gz XJSQBHWUSGKWAZ-NSHDSACASA-N 1 1 187.246 1.759 10 0 ADAEMO CC[NH2+]Cc1c[nH]c([C@H]2C[C@@H]2C)n1 83810693 572416936 /nfs/dbraw/zinc/41/69/36/572416936.db2.gz FPHCJCRXCBSERN-CBAPKCEASA-N 1 1 179.267 1.643 10 0 ADAEMO C[N@H+]1CCC[C@H](N)[C@H]1CC(C)(C)C 76629670 572417229 /nfs/dbraw/zinc/41/72/29/572417229.db2.gz FXLHTFHFZHHPND-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO CN1CCC[C@H]([NH3+])[C@H]1CC(C)(C)C 76629670 572417234 /nfs/dbraw/zinc/41/72/34/572417234.db2.gz FXLHTFHFZHHPND-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H](NCc1cnc[nH]1)c1ccoc1 87290439 572417873 /nfs/dbraw/zinc/41/78/73/572417873.db2.gz GFDSKKCUQUUNGU-QMMMGPOBSA-N 1 1 191.234 1.854 10 0 ADAEMO CCC[NH2+]Cc1nc([C@@H]2C[C@H]2C)no1 83805002 572417319 /nfs/dbraw/zinc/41/73/19/572417319.db2.gz MRLYBDRGSKLIBT-HTQZYQBOSA-N 1 1 195.266 1.693 10 0 ADAEMO Cc1cscc1CNCC[C@H](C)[NH3+] 87310272 572417772 /nfs/dbraw/zinc/41/77/72/572417772.db2.gz PBNROYZBSVHOLT-VIFPVBQESA-N 1 1 198.335 1.883 10 0 ADAEMO C[N@H+]1CCC[C@H](N)[C@@H]1CC(C)(C)C 76629674 572417777 /nfs/dbraw/zinc/41/77/77/572417777.db2.gz FXLHTFHFZHHPND-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO CN1CCC[C@H]([NH3+])[C@@H]1CC(C)(C)C 76629674 572417781 /nfs/dbraw/zinc/41/77/81/572417781.db2.gz FXLHTFHFZHHPND-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@H+]1CCC[C@@H](C[C@H](C)C(N)=O)C1 250333506 572417831 /nfs/dbraw/zinc/41/78/31/572417831.db2.gz OUMMDOAXCHNZLR-UWVGGRQHSA-N 1 1 198.310 1.230 10 0 ADAEMO CCC[C@H]([NH3+])c1nc([C@@H]2C[C@@H]2C)no1 83805239 572417861 /nfs/dbraw/zinc/41/78/61/572417861.db2.gz GUGUAMQTAYEZNT-RNJXMRFFSA-N 1 1 195.266 1.993 10 0 ADAEMO Cc1cscc1C[NH2+]CC1(N)CC1 87310270 572417865 /nfs/dbraw/zinc/41/78/65/572417865.db2.gz VFCUEAXRJQWTOU-UHFFFAOYSA-N 1 1 196.319 1.637 10 0 ADAEMO CC[N@@H+](C)CCN[C@@H](C)c1ccoc1 87290172 572417932 /nfs/dbraw/zinc/41/79/32/572417932.db2.gz XRVOUPLLHCBDTA-JTQLQIEISA-N 1 1 196.294 1.882 10 0 ADAEMO CCc1ccsc1C[NH2+]C[C@@H](C)N 87310153 572417951 /nfs/dbraw/zinc/41/79/51/572417951.db2.gz GIDFLVDRNZTCBW-MRVPVSSYSA-N 1 1 198.335 1.747 10 0 ADAEMO CC[N@H+]1CCC[C@H](C[C@H](C)C(N)=O)C1 250333511 572418027 /nfs/dbraw/zinc/41/80/27/572418027.db2.gz OUMMDOAXCHNZLR-VHSXEESVSA-N 1 1 198.310 1.230 10 0 ADAEMO C1CC([N@H+]2CC[C@@H](C[NH2+]C3CC3)C2)C1 53035196 572418415 /nfs/dbraw/zinc/41/84/15/572418415.db2.gz UXLQAUSWRBZLGP-JTQLQIEISA-N 1 1 194.322 1.613 10 0 ADAEMO C[NH2+]CCCNCc1cscc1C 87310269 572418458 /nfs/dbraw/zinc/41/84/58/572418458.db2.gz OASGZODKZLFGJW-UHFFFAOYSA-N 1 1 198.335 1.756 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=S 44427286 572418714 /nfs/dbraw/zinc/41/87/14/572418714.db2.gz VTYWCVBPQYRSTM-RQJHMYQMSA-N 1 1 174.313 1.391 10 0 ADAEMO CC(C)C[N@@H+](C)[C@H](C)C(N)=S 44427285 572418613 /nfs/dbraw/zinc/41/86/13/572418613.db2.gz ZDFLAGJXDXGOMK-SSDOTTSWSA-N 1 1 174.313 1.249 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=S 44427288 572418797 /nfs/dbraw/zinc/41/87/97/572418797.db2.gz VTYWCVBPQYRSTM-BQBZGAKWSA-N 1 1 174.313 1.391 10 0 ADAEMO CC(C)C[N@@H+](C)[C@@H](C)C(N)=S 44427283 572419036 /nfs/dbraw/zinc/41/90/36/572419036.db2.gz ZDFLAGJXDXGOMK-ZETCQYMHSA-N 1 1 174.313 1.249 10 0 ADAEMO CC[C@@H](C)[C@H]([NH3+])c1nnc(C2CC2)o1 238797998 572420244 /nfs/dbraw/zinc/42/02/44/572420244.db2.gz XLXCRLNFULENBC-SVRRBLITSA-N 1 1 195.266 1.993 10 0 ADAEMO c1[nH]c2ccc(NC3COC3)cc2[nH+]1 76633475 572419552 /nfs/dbraw/zinc/41/95/52/572419552.db2.gz RHODSYVIJAJEJF-UHFFFAOYSA-N 1 1 189.218 1.374 10 0 ADAEMO CCCC[C@H](C)C[N@H+]1CC[C@@H](N)C1 238796783 572419720 /nfs/dbraw/zinc/41/97/20/572419720.db2.gz DIVRWQSMCZETNP-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO CCCC[C@H](C)CN1CC[C@@H]([NH3+])C1 238796783 572419732 /nfs/dbraw/zinc/41/97/32/572419732.db2.gz DIVRWQSMCZETNP-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@@H](CCCO)Nc1ccc(N)[nH+]c1 87344786 572419959 /nfs/dbraw/zinc/41/99/59/572419959.db2.gz RTRJERHQHKDOJV-QMMMGPOBSA-N 1 1 195.266 1.237 10 0 ADAEMO CN(C)c1cccc(Cl)c1C=[NH+]N 379412541 572420210 /nfs/dbraw/zinc/42/02/10/572420210.db2.gz KLJREAKDNKXBTA-UHFFFAOYSA-N 1 1 197.669 1.699 10 0 ADAEMO C[C@H](C(N)=S)[N@@H+](C)C1CCCC1 44427278 572420409 /nfs/dbraw/zinc/42/04/09/572420409.db2.gz KETJSFLHVSYBJW-SSDOTTSWSA-N 1 1 186.324 1.535 10 0 ADAEMO CCOC(=O)[C@@H]1[NH2+][C@@H](C)C(CC)=C1C 238796630 572420419 /nfs/dbraw/zinc/42/04/19/572420419.db2.gz OFFNBYJJHRJWJH-WCBMZHEXSA-N 1 1 197.278 1.636 10 0 ADAEMO C[C@@H](CCCO)Nc1ccc(N)c[nH+]1 87344875 572420446 /nfs/dbraw/zinc/42/04/46/572420446.db2.gz LZIKLYAGHHMWBL-QMMMGPOBSA-N 1 1 195.266 1.237 10 0 ADAEMO C=Cc1nnc([C@@H]([NH3+])[C@H](C)CC)o1 238797981 572420625 /nfs/dbraw/zinc/42/06/25/572420625.db2.gz UGQSXDDRULPXFN-SVRRBLITSA-N 1 1 181.239 1.759 10 0 ADAEMO C[C@H](CCCO)Nc1ccc(N)c[nH+]1 87344878 572420743 /nfs/dbraw/zinc/42/07/43/572420743.db2.gz LZIKLYAGHHMWBL-MRVPVSSYSA-N 1 1 195.266 1.237 10 0 ADAEMO CC[NH2+]C1=C(CN(C)C)CCCC1 196630320 572423873 /nfs/dbraw/zinc/42/38/73/572423873.db2.gz OUZCVQAFGDKXBQ-UHFFFAOYSA-N 1 1 182.311 1.986 10 0 ADAEMO CC[C@@]1([NH3+])CN(C)CCC(C)(C)C1 76629737 572420842 /nfs/dbraw/zinc/42/08/42/572420842.db2.gz DHXJTKAXBASCIP-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC[N@@H+](C)CCc1cccc(O)c1 238237656 572420905 /nfs/dbraw/zinc/42/09/05/572420905.db2.gz HRGWZZCSIKKNQW-UHFFFAOYSA-N 1 1 179.263 1.886 10 0 ADAEMO CC[NH2+][C@H](c1ccoc1)c1ncc[nH]1 87341858 572422752 /nfs/dbraw/zinc/42/27/52/572422752.db2.gz BCIRAIGISRZDRR-SECBINFHSA-N 1 1 191.234 1.702 10 0 ADAEMO CC[NH2+][C@@H](c1ccoc1)c1ncc[nH]1 87341857 572421069 /nfs/dbraw/zinc/42/10/69/572421069.db2.gz BCIRAIGISRZDRR-VIFPVBQESA-N 1 1 191.234 1.702 10 0 ADAEMO C[C@@H](CCCO)Nc1[nH+]cccc1N 87344838 572421092 /nfs/dbraw/zinc/42/10/92/572421092.db2.gz KNRYIJRKFGIIJB-QMMMGPOBSA-N 1 1 195.266 1.237 10 0 ADAEMO CCc1nnc([C@@H]([NH3+])[C@H](C)CC)o1 238797987 572421108 /nfs/dbraw/zinc/42/11/08/572421108.db2.gz QNWKPRCUUCJEBD-SVRRBLITSA-N 1 1 183.255 1.678 10 0 ADAEMO CCCC[C@H](C)[N@H+]1CCC[C@@H]1CN 238796855 572421115 /nfs/dbraw/zinc/42/11/15/572421115.db2.gz RRUICNONNOXCEE-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@H](CCCO)Nc1ccc(N)[nH+]c1 87344788 572421287 /nfs/dbraw/zinc/42/12/87/572421287.db2.gz RTRJERHQHKDOJV-MRVPVSSYSA-N 1 1 195.266 1.237 10 0 ADAEMO CC(C)[N@@H+](C)CCc1csc(N)n1 83852464 572421552 /nfs/dbraw/zinc/42/15/52/572421552.db2.gz IOFQYJMFFATKGA-UHFFFAOYSA-N 1 1 199.323 1.608 10 0 ADAEMO Cc1ccc2[nH]cc([C@@H](N)C[NH3+])c2c1 44471919 572421835 /nfs/dbraw/zinc/42/18/35/572421835.db2.gz OMYZHTLWSUZIJG-JTQLQIEISA-N 1 1 189.262 1.435 10 0 ADAEMO CCOC(=O)[C@@H]1[NH2+][C@H](C)C(CC)=C1C 238796655 572421855 /nfs/dbraw/zinc/42/18/55/572421855.db2.gz OFFNBYJJHRJWJH-PSASIEDQSA-N 1 1 197.278 1.636 10 0 ADAEMO Cc1ccc2c([C@H](N)C[NH3+])c[nH]c2c1 44472664 572421966 /nfs/dbraw/zinc/42/19/66/572421966.db2.gz OXKMXIVCUYYFLN-SNVBAGLBSA-N 1 1 189.262 1.435 10 0 ADAEMO CCC[C@@H](N)[C@@H]([NH3+])c1ccccc1 210619994 572422521 /nfs/dbraw/zinc/42/25/21/572422521.db2.gz VHHGZJRVUTWUCK-MNOVXSKESA-N 1 1 178.279 1.814 10 0 ADAEMO NC[C@H]([NH3+])c1cnc2ccccc2c1 44469158 572422160 /nfs/dbraw/zinc/42/21/60/572422160.db2.gz XRRVLUVJQVBZPL-JTQLQIEISA-N 1 1 187.246 1.193 10 0 ADAEMO CC[N@@H+](C)CCc1csc(N)n1 83852477 572422175 /nfs/dbraw/zinc/42/21/75/572422175.db2.gz VXEPWMULAPAXPY-UHFFFAOYSA-N 1 1 185.296 1.220 10 0 ADAEMO C[N@@H+](CCc1csc(N)n1)C1CC1 83852479 572422407 /nfs/dbraw/zinc/42/24/07/572422407.db2.gz PSJJNEIMFGMZEV-UHFFFAOYSA-N 1 1 197.307 1.362 10 0 ADAEMO N[C@@H](C[NH3+])c1c[nH]c2cc(F)ccc12 44469704 572422702 /nfs/dbraw/zinc/42/27/02/572422702.db2.gz XOMRADRKUXVHMU-VIFPVBQESA-N 1 1 193.225 1.266 10 0 ADAEMO Cc1[nH+]ccn1-c1ccc(C=O)n1C 76633452 572422732 /nfs/dbraw/zinc/42/27/32/572422732.db2.gz UTSQZJCXCKNVLD-UHFFFAOYSA-N 1 1 189.218 1.332 10 0 ADAEMO Cc1cc(F)cc(C)c1[C@H]([NH3+])CN 44471215 572422737 /nfs/dbraw/zinc/42/27/37/572422737.db2.gz GPMVLIMHRMJSAB-SECBINFHSA-N 1 1 182.242 1.401 10 0 ADAEMO Cc1ccc2[nH]cc([C@H](N)C[NH3+])c2c1 44471916 572422862 /nfs/dbraw/zinc/42/28/62/572422862.db2.gz OMYZHTLWSUZIJG-SNVBAGLBSA-N 1 1 189.262 1.435 10 0 ADAEMO CC[N@@H+](C)Cc1ccccc1CO 238238451 572422878 /nfs/dbraw/zinc/42/28/78/572422878.db2.gz HIYTUHDFRZBWMK-UHFFFAOYSA-N 1 1 179.263 1.631 10 0 ADAEMO Cc1cc([C@@H]([NH3+])CN)sc1C 44471757 572422917 /nfs/dbraw/zinc/42/29/17/572422917.db2.gz RJIYBXGVTVESLR-ZETCQYMHSA-N 1 1 170.281 1.323 10 0 ADAEMO C[C@H](CCCO)Nc1[nH+]cccc1N 87344840 572423145 /nfs/dbraw/zinc/42/31/45/572423145.db2.gz KNRYIJRKFGIIJB-MRVPVSSYSA-N 1 1 195.266 1.237 10 0 ADAEMO N[C@H](C[NH3+])c1c[nH]c2ccc(F)cc12 44472608 572423411 /nfs/dbraw/zinc/42/34/11/572423411.db2.gz BOUKZXRKRSHTTA-SECBINFHSA-N 1 1 193.225 1.266 10 0 ADAEMO CCC[N@@H+](C)CCc1csc(N)n1 83852487 572423443 /nfs/dbraw/zinc/42/34/43/572423443.db2.gz PTIZGKKEQFBDKL-UHFFFAOYSA-N 1 1 199.323 1.610 10 0 ADAEMO Cc1oc2ccccc2c1[C@H]([NH3+])CN 44473380 572423455 /nfs/dbraw/zinc/42/34/55/572423455.db2.gz XXHVJLBYHBHTMT-SECBINFHSA-N 1 1 190.246 1.700 10 0 ADAEMO CCNC1=CCCC[C@H]1C[NH+](C)C 196630309 572423914 /nfs/dbraw/zinc/42/39/14/572423914.db2.gz ZOEAPAPILQTESX-JTQLQIEISA-N 1 1 182.311 1.842 10 0 ADAEMO Cc1[nH+]ccn1-c1cc(C=O)cn1C 76633454 572423859 /nfs/dbraw/zinc/42/38/59/572423859.db2.gz DMCFUIGDMAZWDR-UHFFFAOYSA-N 1 1 189.218 1.332 10 0 ADAEMO COC(=O)[C@H](C)Oc1cc[nH+]c(C)c1 238798901 572424128 /nfs/dbraw/zinc/42/41/28/572424128.db2.gz ITFTYDJLAMKSHO-QMMMGPOBSA-N 1 1 195.218 1.330 10 0 ADAEMO Cc1cc([C@H]([NH3+])CN)sc1C 44471754 572424210 /nfs/dbraw/zinc/42/42/10/572424210.db2.gz RJIYBXGVTVESLR-SSDOTTSWSA-N 1 1 170.281 1.323 10 0 ADAEMO CC(C)(C)[C@H]1C[N@@H+](CC2CC2)CCN1 68692875 572424484 /nfs/dbraw/zinc/42/44/84/572424484.db2.gz UHISWZROLIBCAX-LLVKDONJSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)(C)[C@H]1CN(CC2CC2)CC[NH2+]1 68692875 572424490 /nfs/dbraw/zinc/42/44/90/572424490.db2.gz UHISWZROLIBCAX-LLVKDONJSA-N 1 1 196.338 1.716 10 0 ADAEMO CCO[C@@H](C)n1cc[nH+]c1C 196624932 572424525 /nfs/dbraw/zinc/42/45/25/572424525.db2.gz KPGBORQUQIEDGV-QMMMGPOBSA-N 1 1 154.213 1.747 10 0 ADAEMO CCCC[N@H+](C)[C@@](C)(CN)COC 53197900 572424624 /nfs/dbraw/zinc/42/46/24/572424624.db2.gz FMIPJDLTYBOLIL-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO Cc1ccc2c([C@@H](N)C[NH3+])c[nH]c2c1 44472667 572424655 /nfs/dbraw/zinc/42/46/55/572424655.db2.gz OXKMXIVCUYYFLN-JTQLQIEISA-N 1 1 189.262 1.435 10 0 ADAEMO CCC1(CC)C[N@H+](C(C)C)CCN1 68693173 572424665 /nfs/dbraw/zinc/42/46/65/572424665.db2.gz JEHYWDGLKLCXDH-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC1(CC)CN(C(C)C)CC[NH2+]1 68693173 572424670 /nfs/dbraw/zinc/42/46/70/572424670.db2.gz JEHYWDGLKLCXDH-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO Cc1oc2ccccc2c1[C@@H]([NH3+])CN 44473384 572424673 /nfs/dbraw/zinc/42/46/73/572424673.db2.gz XXHVJLBYHBHTMT-VIFPVBQESA-N 1 1 190.246 1.700 10 0 ADAEMO N[C@@H](C[NH3+])c1c[nH]c2ccc(F)cc12 44472611 572424775 /nfs/dbraw/zinc/42/47/75/572424775.db2.gz BOUKZXRKRSHTTA-VIFPVBQESA-N 1 1 193.225 1.266 10 0 ADAEMO CCC[N@H+]1CCNC(CC)(CC)C1 68693167 572425210 /nfs/dbraw/zinc/42/52/10/572425210.db2.gz WQCUFDXMEHDRQU-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCN1CC[NH2+]C(CC)(CC)C1 68693167 572425217 /nfs/dbraw/zinc/42/52/17/572425217.db2.gz WQCUFDXMEHDRQU-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CC(C)(C)[C@@H]1C[N@@H+](CC2CC2)CCN1 68692874 572425398 /nfs/dbraw/zinc/42/53/98/572425398.db2.gz 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GPCLIWUENKCWKY-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H](CCCO)[NH2+]CC(F)F 87359910 572427250 /nfs/dbraw/zinc/42/72/50/572427250.db2.gz XQWRXSJVLZSUBP-ZCFIWIBFSA-N 1 1 167.199 1.002 10 0 ADAEMO Cc1ccc(N[C@H](C)CCCO)[nH+]c1 87360518 572427690 /nfs/dbraw/zinc/42/76/90/572427690.db2.gz PHZRNJDMCKYEJS-SNVBAGLBSA-N 1 1 194.278 1.963 10 0 ADAEMO C[NH2+]C(C)(C)c1nc(C(C)(C)C)no1 61151353 572427731 /nfs/dbraw/zinc/42/77/31/572427731.db2.gz XYXNTWVAPFSGQZ-UHFFFAOYSA-N 1 1 197.282 1.822 10 0 ADAEMO CCc1noc(C(C)(C)[NH2+]C)n1 61151341 572427800 /nfs/dbraw/zinc/42/78/00/572427800.db2.gz LJJLPSSTPKWYCS-UHFFFAOYSA-N 1 1 169.228 1.087 10 0 ADAEMO c1ccc2c(c1)CC[NH2+][C@@H]2c1ncc[nH]1 83619059 572427856 /nfs/dbraw/zinc/42/78/56/572427856.db2.gz FHJXRVIYBCYHAR-NSHDSACASA-N 1 1 199.257 1.645 10 0 ADAEMO CC[N@H+]1C[C@H](C(C)C)NC[C@@H]1C1CC1 68703474 572427924 /nfs/dbraw/zinc/42/79/24/572427924.db2.gz DUBIADKHBGDVDJ-VXGBXAGGSA-N 1 1 196.338 1.715 10 0 ADAEMO CCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C1CC1 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170.300 1.600 10 0 ADAEMO CCCCC[N@@H+](C)CC1(N)CC1 83836745 572437280 /nfs/dbraw/zinc/43/72/80/572437280.db2.gz CHLRBMKSLFHXMA-UHFFFAOYSA-N 1 1 170.300 1.600 10 0 ADAEMO COC(=O)[C@H]([NH3+])CC(F)(F)C(C)C 238800058 572437239 /nfs/dbraw/zinc/43/72/39/572437239.db2.gz AGZOSJBNYJILAD-ZCFIWIBFSA-N 1 1 195.209 1.168 10 0 ADAEMO CC(=O)[C@@H]1CCCN1CCC(C)(C)[NH3+] 74237023 572438036 /nfs/dbraw/zinc/43/80/36/572438036.db2.gz WCKHOZQSMVMGLW-JTQLQIEISA-N 1 1 198.310 1.167 10 0 ADAEMO CN1CCC[C@H]([NH2+]CCC2CC2)CC1 83894027 572437839 /nfs/dbraw/zinc/43/78/39/572437839.db2.gz UGYPPACZEUXADH-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO Cc1ccc(C[C@@H](CN)[NH+](C)C)s1 74236845 572437557 /nfs/dbraw/zinc/43/75/57/572437557.db2.gz XBPVQSPIOFLLTG-VIFPVBQESA-N 1 1 198.335 1.488 10 0 ADAEMO C1CCC([NH2+]CCNCCC2CC2)C1 83895460 572437790 /nfs/dbraw/zinc/43/77/90/572437790.db2.gz CCMFTHDYHRPUAD-UHFFFAOYSA-N 1 1 196.338 1.908 10 0 ADAEMO C1CCC(NCC[NH2+]CCC2CC2)C1 83895460 572437791 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1.169 10 0 ADAEMO CC[C@@H](N)C(=O)CC[NH+]1CCCCC1 74236981 572438561 /nfs/dbraw/zinc/43/85/61/572438561.db2.gz UEXNGAKPMJCDDI-SNVBAGLBSA-N 1 1 198.310 1.169 10 0 ADAEMO NC1(C[NH2+]CC(C2CC2)C2CC2)CC1 83895527 572438574 /nfs/dbraw/zinc/43/85/74/572438574.db2.gz WYABTVRGEOSTTN-UHFFFAOYSA-N 1 1 194.322 1.504 10 0 ADAEMO CC[C@H](C)[C@H](N)C[NH2+]CCC1CC1 83895453 572438658 /nfs/dbraw/zinc/43/86/58/572438658.db2.gz IKRURNJLGHMSSM-GXSJLCMTSA-N 1 1 184.327 1.750 10 0 ADAEMO C[N@@H+]1Cc2sccc2[C@@H](CC[NH3+])C1 76637008 572438669 /nfs/dbraw/zinc/43/86/69/572438669.db2.gz FENTVVKFGHRMAU-QMMMGPOBSA-N 1 1 196.319 1.626 10 0 ADAEMO CN1CCC[C@@H](C[NH2+]CCC2CC2)C1 83893312 572438681 /nfs/dbraw/zinc/43/86/81/572438681.db2.gz FOICIKYSOYBDQU-LBPRGKRZSA-N 1 1 196.338 1.718 10 0 ADAEMO C[NH2+][C@@]1(C(F)F)CCCC[C@H]1OC 234443045 572438790 /nfs/dbraw/zinc/43/87/90/572438790.db2.gz HLTYAYLMERLJBL-APPZFPTMSA-N 1 1 193.237 1.799 10 0 ADAEMO C[NH2+]Cc1nnc([C@H]2CC2(C)C)o1 234444816 572439027 /nfs/dbraw/zinc/43/90/27/572439027.db2.gz KFAQDZSMZODCEI-ZCFIWIBFSA-N 1 1 181.239 1.303 10 0 ADAEMO CN1CCC[C@@H]([NH2+]CCC2CC2)CC1 83894028 572439040 /nfs/dbraw/zinc/43/90/40/572439040.db2.gz UGYPPACZEUXADH-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)c1cnc(C)s1 74237347 572439089 /nfs/dbraw/zinc/43/90/89/572439089.db2.gz ZYUXTPHJTSSRHX-ZETCQYMHSA-N 1 1 198.291 1.762 10 0 ADAEMO C1CCN[C@H](C[NH2+]CCC2CC2)CC1 83895445 572441095 /nfs/dbraw/zinc/44/10/95/572441095.db2.gz NACRZOKHBODBLY-LBPRGKRZSA-N 1 1 196.338 1.908 10 0 ADAEMO CCCNCC[NH2+]CCC1CC1 83895467 572439161 /nfs/dbraw/zinc/43/91/61/572439161.db2.gz CZYFAXBVQCXZDD-UHFFFAOYSA-N 1 1 170.300 1.376 10 0 ADAEMO Nc1csc(C[NH+]2CCOCC2)c1 74237325 572439246 /nfs/dbraw/zinc/43/92/46/572439246.db2.gz MOUZTEROBFJSFS-UHFFFAOYSA-N 1 1 198.291 1.163 10 0 ADAEMO C[C@@H]1C[C@@H]2[NH2+]CCC(C)(C)[C@@H]2CN1C 76637076 572439266 /nfs/dbraw/zinc/43/92/66/572439266.db2.gz XFSDOTXKOSJGQT-MXWKQRLJSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)(C)c1csc(C(=O)C[NH3+])n1 74237127 572439486 /nfs/dbraw/zinc/43/94/86/572439486.db2.gz SNPIKOVFENVOMP-UHFFFAOYSA-N 1 1 198.291 1.582 10 0 ADAEMO CCCC[C@H](N)C[NH2+]CCC1CC1 83895499 572439561 /nfs/dbraw/zinc/43/95/61/572439561.db2.gz RYKBKAXCVPZOEQ-NSHDSACASA-N 1 1 184.327 1.894 10 0 ADAEMO CCC[C@@H]([NH3+])C(=O)c1cnc(C)s1 74237350 572439744 /nfs/dbraw/zinc/43/97/44/572439744.db2.gz ZYUXTPHJTSSRHX-SSDOTTSWSA-N 1 1 198.291 1.762 10 0 ADAEMO Cc1nc(C[NH2+]CCC2CC2)c[nH]1 83893934 572439774 /nfs/dbraw/zinc/43/97/74/572439774.db2.gz ZVDXVARSFOOWLM-UHFFFAOYSA-N 1 1 179.267 1.608 10 0 ADAEMO O=C1CCC[NH2+][C@H]1Cc1cccs1 76636645 572439777 /nfs/dbraw/zinc/43/97/77/572439777.db2.gz SBJPDTOPENECDB-VIFPVBQESA-N 1 1 195.287 1.612 10 0 ADAEMO C[N@@H+]1Cc2sccc2[C@H](CC[NH3+])C1 76637006 572439943 /nfs/dbraw/zinc/43/99/43/572439943.db2.gz FENTVVKFGHRMAU-MRVPVSSYSA-N 1 1 196.319 1.626 10 0 ADAEMO NC1(C[NH2+]CCC2CC2)CCCC1 83895459 572440098 /nfs/dbraw/zinc/44/00/98/572440098.db2.gz PREGSIIRDHFHPM-UHFFFAOYSA-N 1 1 182.311 1.648 10 0 ADAEMO CN1CCC[C@H](C[NH2+]CCC2CC2)C1 83893311 572440198 /nfs/dbraw/zinc/44/01/98/572440198.db2.gz FOICIKYSOYBDQU-GFCCVEGCSA-N 1 1 196.338 1.718 10 0 ADAEMO Cc1cnsc1C[N@H+]1CC[C@H](O)C1 74237159 572440204 /nfs/dbraw/zinc/44/02/04/572440204.db2.gz OOKLDDMHXDKLPY-QMMMGPOBSA-N 1 1 198.291 1.018 10 0 ADAEMO CC(C)C[C@@H]1CNC[C@@H](C(C)C)[N@H+]1C 74236596 572440240 /nfs/dbraw/zinc/44/02/40/572440240.db2.gz COOXZQMOBFAAAD-NEPJUHHUSA-N 1 1 198.354 1.961 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+]C[C@@H](C(C)C)N1C 74236596 572440244 /nfs/dbraw/zinc/44/02/44/572440244.db2.gz COOXZQMOBFAAAD-NEPJUHHUSA-N 1 1 198.354 1.961 10 0 ADAEMO Cc1ccc(C[C@H](CN)[NH+](C)C)s1 74236846 572440299 /nfs/dbraw/zinc/44/02/99/572440299.db2.gz XBPVQSPIOFLLTG-SECBINFHSA-N 1 1 198.335 1.488 10 0 ADAEMO C[C@H](N)C[NH2+]CC(C1CC1)C1CC1 83895531 572440339 /nfs/dbraw/zinc/44/03/39/572440339.db2.gz NLOYDDLEEWXPQI-QMMMGPOBSA-N 1 1 182.311 1.359 10 0 ADAEMO CC[C@@H](C)[C@H](N)C[NH2+]CCC1CC1 83895452 572440440 /nfs/dbraw/zinc/44/04/40/572440440.db2.gz IKRURNJLGHMSSM-MWLCHTKSSA-N 1 1 184.327 1.750 10 0 ADAEMO CC[C@@H](C)[C@@H](N)C[NH2+]CCC1CC1 83895454 572440624 /nfs/dbraw/zinc/44/06/24/572440624.db2.gz IKRURNJLGHMSSM-KOLCDFICSA-N 1 1 184.327 1.750 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(NC2(C)CC2)o1 234443532 572440724 /nfs/dbraw/zinc/44/07/24/572440724.db2.gz VYEJEXJFXFJFNH-ZCFIWIBFSA-N 1 1 196.254 1.314 10 0 ADAEMO C[NH2+]Cc1nnc([C@@H]2CC2(C)C)o1 234444594 572440734 /nfs/dbraw/zinc/44/07/34/572440734.db2.gz KFAQDZSMZODCEI-LURJTMIESA-N 1 1 181.239 1.303 10 0 ADAEMO C[N@H+]1CCC[C@H](Cn2cccc2)C1 44538619 572441315 /nfs/dbraw/zinc/44/13/15/572441315.db2.gz JFWZSXFALQBQLI-NSHDSACASA-N 1 1 178.279 1.830 10 0 ADAEMO C[C@@H]1C[C@H]2[NH2+]CCC(C)(C)[C@@H]2CN1C 76637072 572440863 /nfs/dbraw/zinc/44/08/63/572440863.db2.gz XFSDOTXKOSJGQT-GMTAPVOTSA-N 1 1 196.338 1.715 10 0 ADAEMO CCCC[C@@H](N)C[NH2+]CCC1CC1 83895500 572440961 /nfs/dbraw/zinc/44/09/61/572440961.db2.gz RYKBKAXCVPZOEQ-LLVKDONJSA-N 1 1 184.327 1.894 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(NC2CCC2)o1 234443987 572440989 /nfs/dbraw/zinc/44/09/89/572440989.db2.gz YIYWVSBFGZGDKQ-ZCFIWIBFSA-N 1 1 196.254 1.314 10 0 ADAEMO C1CC[NH2+][C@H](CNCCC2CC2)CC1 83895445 572441099 /nfs/dbraw/zinc/44/10/99/572441099.db2.gz NACRZOKHBODBLY-LBPRGKRZSA-N 1 1 196.338 1.908 10 0 ADAEMO C[NH2+][C@@]1(C(F)F)CCCC[C@@H]1OC 234442997 572441146 /nfs/dbraw/zinc/44/11/46/572441146.db2.gz HLTYAYLMERLJBL-CBAPKCEASA-N 1 1 193.237 1.799 10 0 ADAEMO O=C1CCC[NH2+][C@@H]1Cc1cccs1 76636643 572441303 /nfs/dbraw/zinc/44/13/03/572441303.db2.gz SBJPDTOPENECDB-SECBINFHSA-N 1 1 195.287 1.612 10 0 ADAEMO C[N@H+]1CCC[C@H](CNCC(F)F)C1 44537188 572441375 /nfs/dbraw/zinc/44/13/75/572441375.db2.gz DXWWNRSOBQWAPJ-MRVPVSSYSA-N 1 1 192.253 1.183 10 0 ADAEMO C[C@@H](N)C[NH2+]CC(C1CC1)C1CC1 83895532 572441634 /nfs/dbraw/zinc/44/16/34/572441634.db2.gz NLOYDDLEEWXPQI-MRVPVSSYSA-N 1 1 182.311 1.359 10 0 ADAEMO CC(C)[N@@H+](C)C[C@H](N)CC(F)(F)F 74238144 572441848 /nfs/dbraw/zinc/44/18/48/572441848.db2.gz QMCUEVKRYJOGCL-SSDOTTSWSA-N 1 1 198.232 1.606 10 0 ADAEMO CC(C)N(C)C[C@H]([NH3+])CC(F)(F)F 74238144 572441851 /nfs/dbraw/zinc/44/18/51/572441851.db2.gz QMCUEVKRYJOGCL-SSDOTTSWSA-N 1 1 198.232 1.606 10 0 ADAEMO C1CCN[C@@H](C[NH2+]CCC2CC2)CC1 83895444 572441906 /nfs/dbraw/zinc/44/19/06/572441906.db2.gz NACRZOKHBODBLY-GFCCVEGCSA-N 1 1 196.338 1.908 10 0 ADAEMO C1CC[NH2+][C@@H](CNCCC2CC2)CC1 83895444 572441908 /nfs/dbraw/zinc/44/19/08/572441908.db2.gz NACRZOKHBODBLY-GFCCVEGCSA-N 1 1 196.338 1.908 10 0 ADAEMO CCCCCCN1N=C(C)[C@@H]([NH3+])C1=O 238240105 572442116 /nfs/dbraw/zinc/44/21/16/572442116.db2.gz DWBHDFSNTFPYRM-SECBINFHSA-N 1 1 197.282 1.112 10 0 ADAEMO CC(C)(C)[C@@](C)(O)[C@@H]([NH3+])c1ncco1 74237768 572442242 /nfs/dbraw/zinc/44/22/42/572442242.db2.gz ALCSVJJVFOFWHY-XVKPBYJWSA-N 1 1 198.266 1.472 10 0 ADAEMO [NH3+]Cc1nc(-c2cccs2)ns1 74239090 572442819 /nfs/dbraw/zinc/44/28/19/572442819.db2.gz PBAHZBZFIUWVIP-UHFFFAOYSA-N 1 1 197.288 1.725 10 0 ADAEMO [NH3+]Cc1nccc2c3ccc[nH]c-3nc12 74238183 572442485 /nfs/dbraw/zinc/44/24/85/572442485.db2.gz SEHBJGRAHABJAM-UHFFFAOYSA-N 1 1 198.229 1.570 10 0 ADAEMO CCOC(=O)[C@H](CC)[NH2+]CCC1CC1 83894817 572442610 /nfs/dbraw/zinc/44/26/10/572442610.db2.gz ATCBMUBVXDPAIW-JTQLQIEISA-N 1 1 199.294 1.718 10 0 ADAEMO CC(C)(C)[C@@](C)(O)[C@H]([NH3+])c1ncco1 74237765 572442622 /nfs/dbraw/zinc/44/26/22/572442622.db2.gz ALCSVJJVFOFWHY-XCBNKYQSSA-N 1 1 198.266 1.472 10 0 ADAEMO CC(C)[N@@H+](C)C[C@@H](N)CC(F)(F)F 74238145 572442768 /nfs/dbraw/zinc/44/27/68/572442768.db2.gz QMCUEVKRYJOGCL-ZETCQYMHSA-N 1 1 198.232 1.606 10 0 ADAEMO CC(C)N(C)C[C@@H]([NH3+])CC(F)(F)F 74238145 572442771 /nfs/dbraw/zinc/44/27/71/572442771.db2.gz QMCUEVKRYJOGCL-ZETCQYMHSA-N 1 1 198.232 1.606 10 0 ADAEMO CCC(C)(C)C[C@H]([NH2+]C)c1cn[nH]n1 713250786 572442863 /nfs/dbraw/zinc/44/28/63/572442863.db2.gz WHSKNUKUULCFTB-QMMMGPOBSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC(C)(C)C[C@H]([NH2+]C)c1c[nH]nn1 713250786 572442868 /nfs/dbraw/zinc/44/28/68/572442868.db2.gz WHSKNUKUULCFTB-QMMMGPOBSA-N 1 1 196.298 1.892 10 0 ADAEMO [NH3+][C@@H]1CCCN(Cc2ccco2)CC1 76636117 572443090 /nfs/dbraw/zinc/44/30/90/572443090.db2.gz CPWQOFGIKGWUCS-SNVBAGLBSA-N 1 1 194.278 1.593 10 0 ADAEMO C[N@@H+](CC1(CC(N)=S)CC1)C1CC1 83855171 572443158 /nfs/dbraw/zinc/44/31/58/572443158.db2.gz YYQUFHRPOCIZAB-UHFFFAOYSA-N 1 1 198.335 1.537 10 0 ADAEMO C[N@H+]1CCCC[C@H](Nc2cn[nH]c2)C1 76636144 572443247 /nfs/dbraw/zinc/44/32/47/572443247.db2.gz RCRBIGOVWXLIKW-VIFPVBQESA-N 1 1 194.282 1.306 10 0 ADAEMO CC(C)(C)[C@](C)(O)[C@@H]([NH3+])c1ncco1 74237767 572443287 /nfs/dbraw/zinc/44/32/87/572443287.db2.gz ALCSVJJVFOFWHY-OIBJUYFYSA-N 1 1 198.266 1.472 10 0 ADAEMO CCOC(=O)[C@@H](CC)[NH2+]CCC1CC1 83894818 572443580 /nfs/dbraw/zinc/44/35/80/572443580.db2.gz ATCBMUBVXDPAIW-SNVBAGLBSA-N 1 1 199.294 1.718 10 0 ADAEMO CC(C)(C)[C@](C)(O)[C@H]([NH3+])c1ncco1 74237763 572443315 /nfs/dbraw/zinc/44/33/15/572443315.db2.gz ALCSVJJVFOFWHY-GMSGAONNSA-N 1 1 198.266 1.472 10 0 ADAEMO CCOC(=O)[C@@H](C)[NH2+]CCC1CC1 83894585 572445188 /nfs/dbraw/zinc/44/51/88/572445188.db2.gz IMWXXGKAKQIOCQ-MRVPVSSYSA-N 1 1 185.267 1.328 10 0 ADAEMO CC[C@H](C)[NH2+]CCNCCC1CC1 83895329 572443383 /nfs/dbraw/zinc/44/33/83/572443383.db2.gz HKNNTNIJJXBPMW-JTQLQIEISA-N 1 1 184.327 1.764 10 0 ADAEMO CC[C@H](C)NCC[NH2+]CCC1CC1 83895329 572443391 /nfs/dbraw/zinc/44/33/91/572443391.db2.gz HKNNTNIJJXBPMW-JTQLQIEISA-N 1 1 184.327 1.764 10 0 ADAEMO C/C=C(/C)C[N@@H+](CC)CCN(C)C 33395474 572443414 /nfs/dbraw/zinc/44/34/14/572443414.db2.gz IJIAURMZNPMBJW-WDZFZDKYSA-N 1 1 184.327 1.836 10 0 ADAEMO C/C=C(/C)CN(CC)CC[NH+](C)C 33395474 572443419 /nfs/dbraw/zinc/44/34/19/572443419.db2.gz IJIAURMZNPMBJW-WDZFZDKYSA-N 1 1 184.327 1.836 10 0 ADAEMO [NH3+]Cc1nccc2cc3[nH]cnc3cc12 74238181 572443459 /nfs/dbraw/zinc/44/34/59/572443459.db2.gz JADZUEAUNWPBGU-UHFFFAOYSA-N 1 1 198.229 1.570 10 0 ADAEMO CNC(C)(C)C[N@@H+]1CCCC[C@H]1C 61319412 572443503 /nfs/dbraw/zinc/44/35/03/572443503.db2.gz CKMJSWRDILQZLL-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO C1C[NH2+][C@H](CNCCC2CC2)C1 83895363 572443532 /nfs/dbraw/zinc/44/35/32/572443532.db2.gz NVRNMGLPVCJSCG-JTQLQIEISA-N 1 1 168.284 1.128 10 0 ADAEMO CC(C)[C@@H](N)C[NH2+]CCC1CC1 83895369 572443676 /nfs/dbraw/zinc/44/36/76/572443676.db2.gz YZNACOYUYMSTAZ-JTQLQIEISA-N 1 1 170.300 1.359 10 0 ADAEMO CC(C)=CC[N@@H+]1CCCC[C@@H]1CN 44557451 572443782 /nfs/dbraw/zinc/44/37/82/572443782.db2.gz NECGFBLQTXIBTG-LLVKDONJSA-N 1 1 182.311 1.766 10 0 ADAEMO CC(C)=CC[N@H+]1CCCC[C@@H]1CN 44557451 572443788 /nfs/dbraw/zinc/44/37/88/572443788.db2.gz NECGFBLQTXIBTG-LLVKDONJSA-N 1 1 182.311 1.766 10 0 ADAEMO CC[C@@H](N)C[NH2+]CCC1CC1 83895355 572443913 /nfs/dbraw/zinc/44/39/13/572443913.db2.gz RHVPGFBCHIQRON-SECBINFHSA-N 1 1 156.273 1.113 10 0 ADAEMO Cc1csc(CC(=O)C[NH+](C)C)n1 87394885 572444066 /nfs/dbraw/zinc/44/40/66/572444066.db2.gz MDEYTFFMQACJBY-UHFFFAOYSA-N 1 1 198.291 1.125 10 0 ADAEMO N[C@H]1CC[N@@H+](CC(C2CC2)C2CC2)C1 83895194 572444071 /nfs/dbraw/zinc/44/40/71/572444071.db2.gz NZFAZDFGNWTLPP-NSHDSACASA-N 1 1 194.322 1.456 10 0 ADAEMO CCCCCCN1N=C(C)[C@H]([NH3+])C1=O 238240116 572444208 /nfs/dbraw/zinc/44/42/08/572444208.db2.gz DWBHDFSNTFPYRM-VIFPVBQESA-N 1 1 197.282 1.112 10 0 ADAEMO CCCCC1=CC[N@@H+](CCO)CC1 238240347 572444324 /nfs/dbraw/zinc/44/43/24/572444324.db2.gz POFROTOQHFVKNY-UHFFFAOYSA-N 1 1 183.295 1.801 10 0 ADAEMO CNC(C)(C)C[N@@H+]1CCCC[C@@H]1C 61319414 572444358 /nfs/dbraw/zinc/44/43/58/572444358.db2.gz CKMJSWRDILQZLL-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO C1CN(CC(C2CC2)C2CC2)CC[NH2+]1 83895179 572444505 /nfs/dbraw/zinc/44/45/05/572444505.db2.gz NYFJXVGGDBKYNL-UHFFFAOYSA-N 1 1 194.322 1.328 10 0 ADAEMO CC[NH2+]C1CCN(CCC2CC2)CC1 83895143 572444534 /nfs/dbraw/zinc/44/45/34/572444534.db2.gz KXQRMOTVLZXVBU-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO [NH3+][C@H]1CCCN(Cc2ccco2)CC1 76636115 572444697 /nfs/dbraw/zinc/44/46/97/572444697.db2.gz CPWQOFGIKGWUCS-JTQLQIEISA-N 1 1 194.278 1.593 10 0 ADAEMO CNC(C)(C)C[NH2+]CCC1CC1 83895332 572444985 /nfs/dbraw/zinc/44/49/85/572444985.db2.gz RFEJWJZQHVQPPJ-UHFFFAOYSA-N 1 1 170.300 1.374 10 0 ADAEMO CC(C)=CC[N@@H+]1CCCC[C@H]1CN 44557453 572445080 /nfs/dbraw/zinc/44/50/80/572445080.db2.gz NECGFBLQTXIBTG-NSHDSACASA-N 1 1 182.311 1.766 10 0 ADAEMO CC(C)=CC[N@H+]1CCCC[C@H]1CN 44557453 572445083 /nfs/dbraw/zinc/44/50/83/572445083.db2.gz NECGFBLQTXIBTG-NSHDSACASA-N 1 1 182.311 1.766 10 0 ADAEMO C[N@H+]1CCC[C@]2(CC(=O)CCS2)C1 74214556 572445120 /nfs/dbraw/zinc/44/51/20/572445120.db2.gz ZDUZAPOJOYYZFG-JTQLQIEISA-N 1 1 199.319 1.547 10 0 ADAEMO C[NH+](C)CCC[C@@H](N)c1nccs1 74214515 572445158 /nfs/dbraw/zinc/44/51/58/572445158.db2.gz RQOWZUHZFYMYTF-MRVPVSSYSA-N 1 1 199.323 1.485 10 0 ADAEMO [NH3+][C@H](CN1CCCC1)c1cncs1 74238853 572445317 /nfs/dbraw/zinc/44/53/17/572445317.db2.gz IBFYDLFRKCFVRL-MRVPVSSYSA-N 1 1 197.307 1.239 10 0 ADAEMO N[C@@H]1CC[N@@H+](CC(C2CC2)C2CC2)C1 83895195 572445322 /nfs/dbraw/zinc/44/53/22/572445322.db2.gz NZFAZDFGNWTLPP-LLVKDONJSA-N 1 1 194.322 1.456 10 0 ADAEMO C[NH+](C)CCC[C@H](N)c1nccs1 74214513 572445522 /nfs/dbraw/zinc/44/55/22/572445522.db2.gz RQOWZUHZFYMYTF-QMMMGPOBSA-N 1 1 199.323 1.485 10 0 ADAEMO O=C1CC[N@H+](CC(C2CC2)C2CC2)C1 83895121 572445573 /nfs/dbraw/zinc/44/55/73/572445573.db2.gz GQQTYSLGMRVJGK-UHFFFAOYSA-N 1 1 193.290 1.697 10 0 ADAEMO O=C1CC[N@@H+](CC(C2CC2)C2CC2)C1 83895121 572445577 /nfs/dbraw/zinc/44/55/77/572445577.db2.gz GQQTYSLGMRVJGK-UHFFFAOYSA-N 1 1 193.290 1.697 10 0 ADAEMO CCOC(=O)[C@H](C)[NH2+]CCC1CC1 83894586 572445711 /nfs/dbraw/zinc/44/57/11/572445711.db2.gz IMWXXGKAKQIOCQ-QMMMGPOBSA-N 1 1 185.267 1.328 10 0 ADAEMO Nc1cc2nc(C[NH3+])oc2cc1Cl 74238702 572445728 /nfs/dbraw/zinc/44/57/28/572445728.db2.gz XLKVDXSNLLKTPF-UHFFFAOYSA-N 1 1 197.625 1.522 10 0 ADAEMO C1C[NH2+][C@@H](CNCCC2CC2)C1 83895362 572445739 /nfs/dbraw/zinc/44/57/39/572445739.db2.gz 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1 196.338 1.988 10 0 ADAEMO CCCC[C@H]1C[C@@H](CN(C)C)C[NH2+]1 238245150 572454312 /nfs/dbraw/zinc/45/43/12/572454312.db2.gz ILXBGEOXNUZKKD-MNOVXSKESA-N 1 1 184.327 1.716 10 0 ADAEMO CCN(CC)[C@H](C[NH3+])c1cnc(C)[nH]1 74241138 572454437 /nfs/dbraw/zinc/45/44/37/572454437.db2.gz PESAXRHFFJAHTQ-SNVBAGLBSA-N 1 1 196.298 1.060 10 0 ADAEMO NCC[N@H+](CCC1CC1)C1CC1 83926200 572454485 /nfs/dbraw/zinc/45/44/85/572454485.db2.gz RXZOAWWKGCLJNL-UHFFFAOYSA-N 1 1 168.284 1.210 10 0 ADAEMO C[N@@H+](CCC1CC1)C(C)(C)CN 83926219 572454551 /nfs/dbraw/zinc/45/45/51/572454551.db2.gz HIBBHLVGFFGJOC-UHFFFAOYSA-N 1 1 170.300 1.456 10 0 ADAEMO CN(CCC1CC1)C(C)(C)C[NH3+] 83926219 572454556 /nfs/dbraw/zinc/45/45/56/572454556.db2.gz HIBBHLVGFFGJOC-UHFFFAOYSA-N 1 1 170.300 1.456 10 0 ADAEMO CN1CC[C@@H]([NH3+])[C@H](CC2CCCC2)C1 74240835 572454619 /nfs/dbraw/zinc/45/46/19/572454619.db2.gz OCZFMOPORYIQHK-VXGBXAGGSA-N 1 1 196.338 1.846 10 0 ADAEMO [NH3+][C@H](CC1CC1)CN1CCCCCC1 74240821 572454672 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1.860 10 0 ADAEMO CCC[C@@H]1CN(CCC2CC2)CC[NH2+]1 83913236 572455338 /nfs/dbraw/zinc/45/53/38/572455338.db2.gz GVGCQMYOQJVMBK-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1C[N@@H+](CCC2CC2)CCN1 83913335 572455343 /nfs/dbraw/zinc/45/53/43/572455343.db2.gz LUIFYUBXHNGYPG-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@H]1CN(CCC2CC2)CC[NH2+]1 83913335 572455346 /nfs/dbraw/zinc/45/53/46/572455346.db2.gz LUIFYUBXHNGYPG-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@@H](CCN(C)C)[NH2+]CCC1CC1 83926444 572455375 /nfs/dbraw/zinc/45/53/75/572455375.db2.gz ZDPGVTQEQLWBHO-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@H](CCN(C)C)[NH2+]CCC1CC1 83926445 572455394 /nfs/dbraw/zinc/45/53/94/572455394.db2.gz ZDPGVTQEQLWBHO-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO C[N@@H+](CCC1CC1)CC(N)=S 83926711 572455401 /nfs/dbraw/zinc/45/54/01/572455401.db2.gz ALSYKMRJSGWCEN-UHFFFAOYSA-N 1 1 172.297 1.004 10 0 ADAEMO CC[C@H]1C[N@@H+](CCC2CC2)CCCN1 83913330 572455419 /nfs/dbraw/zinc/45/54/19/572455419.db2.gz 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196.250 1.226 10 0 ADAEMO CC[C@H]1CNCC[N@H+]1CCC1CC1 83913097 572455934 /nfs/dbraw/zinc/45/59/34/572455934.db2.gz CSYVIXSHRKBMMT-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@H]1C[NH2+]CCN1CCC1CC1 83913097 572455936 /nfs/dbraw/zinc/45/59/36/572455936.db2.gz CSYVIXSHRKBMMT-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CC[N@@H+](CCN)CCC1CC1 83926197 572455948 /nfs/dbraw/zinc/45/59/48/572455948.db2.gz GSKCOZOYWRODHJ-UHFFFAOYSA-N 1 1 156.273 1.067 10 0 ADAEMO C[NH2+]CC(=O)c1cc2cnoc2s1 74242264 572455949 /nfs/dbraw/zinc/45/59/49/572455949.db2.gz JPFQJXGOZFNKMO-UHFFFAOYSA-N 1 1 196.231 1.291 10 0 ADAEMO CCN(CC[NH3+])CCC1CC1 83926197 572455952 /nfs/dbraw/zinc/45/59/52/572455952.db2.gz GSKCOZOYWRODHJ-UHFFFAOYSA-N 1 1 156.273 1.067 10 0 ADAEMO CCC(CC)[NH2+]CCNC(C)C 53388172 572455996 /nfs/dbraw/zinc/45/59/96/572455996.db2.gz QJFSTQKJJWXZHI-UHFFFAOYSA-N 1 1 172.316 1.763 10 0 ADAEMO Cc1oncc1[C@H](C)[NH2+]CCF 308028242 572456056 /nfs/dbraw/zinc/45/60/56/572456056.db2.gz HXYWVSGSHBYRDG-LURJTMIESA-N 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/nfs/dbraw/zinc/45/62/57/572456257.db2.gz RWRUPVRSUJKJGV-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO NCC[N@@H+](CCC1CC1)C1CCCC1 83926243 572456328 /nfs/dbraw/zinc/45/63/28/572456328.db2.gz IXZGWPLHTNIFCN-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO C[C@H](C(N)=S)[N@@H+](C)CCC1CC1 83926715 572456334 /nfs/dbraw/zinc/45/63/34/572456334.db2.gz KHZWGJLHBWVXAJ-SSDOTTSWSA-N 1 1 186.324 1.393 10 0 ADAEMO CCc1[nH+]c(CC(C)(C)C)c(N)n1N 61839103 572456335 /nfs/dbraw/zinc/45/63/35/572456335.db2.gz LHRFXSLBZQZTPH-UHFFFAOYSA-N 1 1 196.298 1.330 10 0 ADAEMO CCCNCC[NH2+]C(C)(C)CC 53388117 572456343 /nfs/dbraw/zinc/45/63/43/572456343.db2.gz MADNTVPTIPDQGX-UHFFFAOYSA-N 1 1 172.316 1.764 10 0 ADAEMO CC[N@@H+](CCC1CC1)CC(N)=S 83926712 572456417 /nfs/dbraw/zinc/45/64/17/572456417.db2.gz QZAYFHZPLBKUTK-UHFFFAOYSA-N 1 1 186.324 1.395 10 0 ADAEMO CC[C@H]1CCc2nc(C[NH2+]C)[nH]c2C1 68945920 572456425 /nfs/dbraw/zinc/45/64/25/572456425.db2.gz AXZKTESFYPDMSL-QMMMGPOBSA-N 1 1 193.294 1.644 10 0 ADAEMO Cc1coc([C@@H]([NH3+])[C@](C)(O)C2CC2)n1 74241863 572456429 /nfs/dbraw/zinc/45/64/29/572456429.db2.gz BXSOYHSWFFZRNT-PSASIEDQSA-N 1 1 196.250 1.144 10 0 ADAEMO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC1CC1 83926007 572456463 /nfs/dbraw/zinc/45/64/63/572456463.db2.gz TZKIETLPCPNMIO-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]([NH3+])[C@@H]1CCCCN1CCC1CC1 83926007 572456465 /nfs/dbraw/zinc/45/64/65/572456465.db2.gz TZKIETLPCPNMIO-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[N@@H+](CC1CC1)[C@@H](C)CC(=O)OC 68947357 572456485 /nfs/dbraw/zinc/45/64/85/572456485.db2.gz GJSUDPSCFLSQLI-VIFPVBQESA-N 1 1 199.294 1.670 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](CCC2CC2)CCN1 83913371 572456516 /nfs/dbraw/zinc/45/65/16/572456516.db2.gz SLZWMUXSQGWXPI-LBPRGKRZSA-N 1 1 196.338 1.716 10 0 ADAEMO Cc1oncc1[C@@H](C)[NH2+]CCF 308028246 572456518 /nfs/dbraw/zinc/45/65/18/572456518.db2.gz HXYWVSGSHBYRDG-ZCFIWIBFSA-N 1 1 172.203 1.603 10 0 ADAEMO CC(C)[C@@H]1CN(CCC2CC2)CC[NH2+]1 83913371 572456520 /nfs/dbraw/zinc/45/65/20/572456520.db2.gz SLZWMUXSQGWXPI-LBPRGKRZSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)[C@H]1C[N@@H+](CCC2CC2)CCN1 83913373 572456620 /nfs/dbraw/zinc/45/66/20/572456620.db2.gz SLZWMUXSQGWXPI-GFCCVEGCSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)[C@H]1CN(CCC2CC2)CC[NH2+]1 83913373 572456624 /nfs/dbraw/zinc/45/66/24/572456624.db2.gz SLZWMUXSQGWXPI-GFCCVEGCSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)CC[C@H]([NH3+])C(=O)c1cnco1 74242099 572456638 /nfs/dbraw/zinc/45/66/38/572456638.db2.gz DHFNBCUJQHJQTG-QMMMGPOBSA-N 1 1 196.250 1.621 10 0 ADAEMO Cc1nc(C(=O)C[NH3+])oc1C(C)(C)C 74241994 572456700 /nfs/dbraw/zinc/45/67/00/572456700.db2.gz ZZBLGCDGWWJGHW-UHFFFAOYSA-N 1 1 196.250 1.422 10 0 ADAEMO [NH3+][C@H](c1ccno1)[C@@H](O)C1CCCC1 74241842 572456709 /nfs/dbraw/zinc/45/67/09/572456709.db2.gz DGOJXYIHMMMHAK-ZJUUUORDSA-N 1 1 196.250 1.226 10 0 ADAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1CCC1CC1 83913008 572457534 /nfs/dbraw/zinc/45/75/34/572457534.db2.gz HLJWGYKMKHKCIV-ZYHUDNBSSA-N 1 1 196.338 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/nfs/dbraw/zinc/45/71/37/572457137.db2.gz HCZYEMDRVQJBPO-ZYHUDNBSSA-N 1 1 196.338 1.859 10 0 ADAEMO CCOC(=O)[C@H]([NH3+])CCC1CC1 83926805 572457154 /nfs/dbraw/zinc/45/71/54/572457154.db2.gz RUSNOLSLPQKTMI-MRVPVSSYSA-N 1 1 171.240 1.067 10 0 ADAEMO CC[N@H+](C)[C@@H]1CNCc2ccccc21 68949008 572457204 /nfs/dbraw/zinc/45/72/04/572457204.db2.gz VNGDUEKDGCYODF-GFCCVEGCSA-N 1 1 190.290 1.783 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CNCc2ccccc21 68949008 572457208 /nfs/dbraw/zinc/45/72/08/572457208.db2.gz VNGDUEKDGCYODF-GFCCVEGCSA-N 1 1 190.290 1.783 10 0 ADAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@H](C)CO 308027813 572457226 /nfs/dbraw/zinc/45/72/26/572457226.db2.gz XXTFNWAGTOQHEG-NXEZZACHSA-N 1 1 173.300 1.734 10 0 ADAEMO CC[N@H+](C)[C@H]1CNCc2ccccc21 68949010 572457260 /nfs/dbraw/zinc/45/72/60/572457260.db2.gz VNGDUEKDGCYODF-LBPRGKRZSA-N 1 1 190.290 1.783 10 0 ADAEMO CC[N@@H+](C)[C@H]1CNCc2ccccc21 68949010 572457266 /nfs/dbraw/zinc/45/72/66/572457266.db2.gz VNGDUEKDGCYODF-LBPRGKRZSA-N 1 1 190.290 1.783 10 0 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PGCDZIBVMBFZCF-MRVPVSSYSA-N 1 1 158.289 1.312 10 0 ADAEMO C1C[N@H+](CCC2CC2)C[C@@H](C2CC2)N1 83913112 572457450 /nfs/dbraw/zinc/45/74/50/572457450.db2.gz PLBZSSQOBFMYKQ-LBPRGKRZSA-N 1 1 194.322 1.470 10 0 ADAEMO C1CN(CCC2CC2)C[C@@H](C2CC2)[NH2+]1 83913112 572457454 /nfs/dbraw/zinc/45/74/54/572457454.db2.gz PLBZSSQOBFMYKQ-LBPRGKRZSA-N 1 1 194.322 1.470 10 0 ADAEMO C[C@@H](C(N)=S)[N@@H+](C)CCC1CC1 83926714 572457506 /nfs/dbraw/zinc/45/75/06/572457506.db2.gz KHZWGJLHBWVXAJ-ZETCQYMHSA-N 1 1 186.324 1.393 10 0 ADAEMO CC[C@H]1C[N@@H+](CCC2CC2)[C@H](C)CN1 83913110 572457521 /nfs/dbraw/zinc/45/75/21/572457521.db2.gz HCZYEMDRVQJBPO-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H]1CN(CCC2CC2)[C@H](C)C[NH2+]1 83913110 572457526 /nfs/dbraw/zinc/45/75/26/572457526.db2.gz HCZYEMDRVQJBPO-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO C1C[N@H+](CCC2CC2)C[C@H](C2CC2)N1 83913114 572457552 /nfs/dbraw/zinc/45/75/52/572457552.db2.gz PLBZSSQOBFMYKQ-GFCCVEGCSA-N 1 1 194.322 1.470 10 0 ADAEMO 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/nfs/dbraw/zinc/45/76/48/572457648.db2.gz TZKIETLPCPNMIO-ZYHUDNBSSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@](C)(CN)[N@@H+](C)CCC1CC1 83926222 572457858 /nfs/dbraw/zinc/45/78/58/572457858.db2.gz DCSXBJHEERYPFB-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H](C)CO 308027815 572458545 /nfs/dbraw/zinc/45/85/45/572458545.db2.gz XXTFNWAGTOQHEG-VHSXEESVSA-N 1 1 173.300 1.734 10 0 ADAEMO C[N@H+](CCC(N)=S)CCC1CC1 83926702 572457888 /nfs/dbraw/zinc/45/78/88/572457888.db2.gz KBUFLAOVCNSLPH-UHFFFAOYSA-N 1 1 186.324 1.395 10 0 ADAEMO CN(C)CC(C)(C)C[NH2+]CCC1CC1 83926272 572457921 /nfs/dbraw/zinc/45/79/21/572457921.db2.gz ITQCUOLHOZUWGD-UHFFFAOYSA-N 1 1 198.354 1.964 10 0 ADAEMO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC1CC1 83926006 572457954 /nfs/dbraw/zinc/45/79/54/572457954.db2.gz TZKIETLPCPNMIO-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]([NH3+])[C@@H]1CCCCN1CCC1CC1 83926006 572457958 /nfs/dbraw/zinc/45/79/58/572457958.db2.gz TZKIETLPCPNMIO-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 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/nfs/dbraw/zinc/45/82/81/572458281.db2.gz CSYVIXSHRKBMMT-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@@H]1C[NH2+]CCN1CCC1CC1 83913095 572458288 /nfs/dbraw/zinc/45/82/88/572458288.db2.gz CSYVIXSHRKBMMT-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO [NH3+][C@H](c1ncco1)[C@@H](O)C1CCCC1 74241828 572458294 /nfs/dbraw/zinc/45/82/94/572458294.db2.gz BORIFTIQLDINIZ-IUCAKERBSA-N 1 1 196.250 1.226 10 0 ADAEMO C[NH+](C)[C@H](CN)CC(C)(C)C 61839682 572458376 /nfs/dbraw/zinc/45/83/76/572458376.db2.gz PGCDZIBVMBFZCF-QMMMGPOBSA-N 1 1 158.289 1.312 10 0 ADAEMO [NH3+][C@H](c1ccno1)[C@H](O)C1CCCC1 74241839 572458436 /nfs/dbraw/zinc/45/84/36/572458436.db2.gz DGOJXYIHMMMHAK-NXEZZACHSA-N 1 1 196.250 1.226 10 0 ADAEMO CC(C)CC[C@@H]([NH3+])C(=O)c1cnco1 74242100 572458579 /nfs/dbraw/zinc/45/85/79/572458579.db2.gz DHFNBCUJQHJQTG-MRVPVSSYSA-N 1 1 196.250 1.621 10 0 ADAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C)CO 308027816 572458583 /nfs/dbraw/zinc/45/85/83/572458583.db2.gz XXTFNWAGTOQHEG-ZJUUUORDSA-N 1 1 173.300 1.734 10 0 ADAEMO [NH3+][C@@H](c1ncco1)[C@H](O)C1CCCC1 74241824 572458628 /nfs/dbraw/zinc/45/86/28/572458628.db2.gz BORIFTIQLDINIZ-RKDXNWHRSA-N 1 1 196.250 1.226 10 0 ADAEMO C[NH2+]C[C@H]1CCCN1CCC1CC1 83926921 572458842 /nfs/dbraw/zinc/45/88/42/572458842.db2.gz CGGZNAASIWPGOF-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO NC[C@H]1CCC[N@H+]1CCC1CC1 83926912 572458862 /nfs/dbraw/zinc/45/88/62/572458862.db2.gz PUGBXCWHRHUTHX-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO CCC[C@H]([NH3+])c1nnc(C2CC2)o1 238252030 572458884 /nfs/dbraw/zinc/45/88/84/572458884.db2.gz UBDLZCFYJLSBQI-ZETCQYMHSA-N 1 1 181.239 1.747 10 0 ADAEMO C[C@H]1CCC[C@H](CN)[N@H+]1CCC1CC1 83935398 572458887 /nfs/dbraw/zinc/45/88/87/572458887.db2.gz ZZIRVPZQZIUHKX-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)Cc2ccsc2C(=O)[C@@H]1[NH3+] 74243185 572459119 /nfs/dbraw/zinc/45/91/19/572459119.db2.gz YLRKMPZLQNNWAW-VIFPVBQESA-N 1 1 195.287 1.840 10 0 ADAEMO [NH3+]C[C@H](O)c1cnc(C2CCCC2)[nH]1 74243690 572459162 /nfs/dbraw/zinc/45/91/62/572459162.db2.gz AOTXCFZFXMXAOO-VIFPVBQESA-N 1 1 195.266 1.059 10 0 ADAEMO NC[C@@H]1CCC[N@H+]1CCC1CC1 83926913 572459226 /nfs/dbraw/zinc/45/92/26/572459226.db2.gz PUGBXCWHRHUTHX-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO CC[NH2+]C[C@@H]1CCCN1CCC1CC1 83926937 572459259 /nfs/dbraw/zinc/45/92/59/572459259.db2.gz WMQQVBHPHNBRJJ-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO C[NH2+][C@H](CN)c1cc(F)ccc1C 234447532 572459297 /nfs/dbraw/zinc/45/92/97/572459297.db2.gz RAMMVLABOLNRCD-SNVBAGLBSA-N 1 1 182.242 1.353 10 0 ADAEMO CCN(CC)C[C@@H]([NH3+])c1cccn1C 74242997 572459603 /nfs/dbraw/zinc/45/96/03/572459603.db2.gz XDYZLFHGGFVKTH-SNVBAGLBSA-N 1 1 195.310 1.367 10 0 ADAEMO CCCC[N@@H+](CCN)CCC1CC1 83926931 572459610 /nfs/dbraw/zinc/45/96/10/572459610.db2.gz GWNHJUATXZZRID-UHFFFAOYSA-N 1 1 184.327 1.847 10 0 ADAEMO CCCCN(CC[NH3+])CCC1CC1 83926931 572459614 /nfs/dbraw/zinc/45/96/14/572459614.db2.gz GWNHJUATXZZRID-UHFFFAOYSA-N 1 1 184.327 1.847 10 0 ADAEMO CCOC(=O)[C@@H]([NH3+])CCC1CC1 83926806 572459633 /nfs/dbraw/zinc/45/96/33/572459633.db2.gz RUSNOLSLPQKTMI-QMMMGPOBSA-N 1 1 171.240 1.067 10 0 ADAEMO NC[C@@H]1CCCC[N@H+]1CCC1CC1 83926914 572459661 /nfs/dbraw/zinc/45/96/61/572459661.db2.gz NLWJITJJQADFCD-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO [NH3+]C[C@@H]1CCCCN1CCC1CC1 83926914 572459667 /nfs/dbraw/zinc/45/96/67/572459667.db2.gz NLWJITJJQADFCD-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO CC(C)C[N@@H+](CCN)CCC1CC1 83926932 572459813 /nfs/dbraw/zinc/45/98/13/572459813.db2.gz PDGVUYUNPQDIOK-UHFFFAOYSA-N 1 1 184.327 1.703 10 0 ADAEMO Cc1[nH]nc(C(=O)C[NH3+])c1C(C)(C)C 74243451 572460182 /nfs/dbraw/zinc/46/01/82/572460182.db2.gz PGLSLKVMQPIZQK-UHFFFAOYSA-N 1 1 195.266 1.157 10 0 ADAEMO CCN(CC)C[C@H]([NH3+])c1cccn1C 74242996 572460195 /nfs/dbraw/zinc/46/01/95/572460195.db2.gz XDYZLFHGGFVKTH-JTQLQIEISA-N 1 1 195.310 1.367 10 0 ADAEMO CC1(C)Cc2ccsc2C(=O)[C@H]1[NH3+] 74243186 572460211 /nfs/dbraw/zinc/46/02/11/572460211.db2.gz 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572461172 /nfs/dbraw/zinc/46/11/72/572461172.db2.gz WMQQVBHPHNBRJJ-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO COc1nc(C[NH3+])oc1C(F)(F)F 74242929 572461281 /nfs/dbraw/zinc/46/12/81/572461281.db2.gz LZPHBONHUNYYPU-UHFFFAOYSA-N 1 1 196.128 1.161 10 0 ADAEMO C[C@H]([NH3+])c1ncc(-c2cscn2)o1 74244445 572461199 /nfs/dbraw/zinc/46/11/99/572461199.db2.gz PVXSWQRTPXSWOR-YFKPBYRVSA-N 1 1 195.247 1.818 10 0 ADAEMO [NH3+]Cc1ncc(Cc2cncs2)o1 74244457 572461313 /nfs/dbraw/zinc/46/13/13/572461313.db2.gz HUWZEWUZQREGNS-UHFFFAOYSA-N 1 1 195.247 1.181 10 0 ADAEMO CC[NH+](CC)[C@@H](C)Cc1nc[nH]c1C 238255696 572462283 /nfs/dbraw/zinc/46/22/83/572462283.db2.gz QZLBOIXHNDQTOV-VIFPVBQESA-N 1 1 195.310 1.991 10 0 ADAEMO C[C@H]1CCC[C@@H](CN)[N@H+]1CCC1CC1 83935407 572461619 /nfs/dbraw/zinc/46/16/19/572461619.db2.gz ZZIRVPZQZIUHKX-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO CCNC[C@H](CC(C)C)[NH2+]CC 238253596 572461730 /nfs/dbraw/zinc/46/17/30/572461730.db2.gz GXEZJGZXVVYCLR-JTQLQIEISA-N 1 1 172.316 1.620 10 0 ADAEMO CC[N@H+](CCC1CC1)[C@H]1CCCNC1 83935348 572461731 /nfs/dbraw/zinc/46/17/31/572461731.db2.gz AXCNRQCVOCTHQO-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO CCN[C@H](C[NH2+]CC)CC(C)C 238253596 572461733 /nfs/dbraw/zinc/46/17/33/572461733.db2.gz GXEZJGZXVVYCLR-JTQLQIEISA-N 1 1 172.316 1.620 10 0 ADAEMO CC[N@@H+](CCC1CC1)[C@H]1CCCNC1 83935348 572461737 /nfs/dbraw/zinc/46/17/37/572461737.db2.gz AXCNRQCVOCTHQO-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO C[NH2+][C@H](CN)c1cc(F)cc(F)c1 234447462 572461775 /nfs/dbraw/zinc/46/17/75/572461775.db2.gz JEWIHOIGSJRCNQ-SECBINFHSA-N 1 1 186.205 1.184 10 0 ADAEMO CCCC[N@@H+](C)C[C@H](C)C(C)=O 238253556 572461897 /nfs/dbraw/zinc/46/18/97/572461897.db2.gz FRDIJIRAKQQNQB-VIFPVBQESA-N 1 1 171.284 1.943 10 0 ADAEMO C[N@H+](CCC1CC1)C1CCNCC1 83935232 572461925 /nfs/dbraw/zinc/46/19/25/572461925.db2.gz YPBWWZYSRIOADN-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO C[N@@H+](CCC1CC1)C1CCNCC1 83935232 572461929 /nfs/dbraw/zinc/46/19/29/572461929.db2.gz 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572462350 /nfs/dbraw/zinc/46/23/50/572462350.db2.gz WXOZOYJAPFWKFA-MRVPVSSYSA-N 1 1 187.308 1.403 10 0 ADAEMO Cc1nc(C[NH2+]CC2(C)CCC2)no1 235928161 572462400 /nfs/dbraw/zinc/46/24/00/572462400.db2.gz WFGIUZLESBGPRI-UHFFFAOYSA-N 1 1 195.266 1.658 10 0 ADAEMO C[NH2+]C[C@@H]1CCCN1CCC1CC1 83926920 572462521 /nfs/dbraw/zinc/46/25/21/572462521.db2.gz CGGZNAASIWPGOF-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CC1=NC(=O)N(C2CCCCC2)C1[NH3+] 74244089 572463241 /nfs/dbraw/zinc/46/32/41/572463241.db2.gz WVMSSUDTTLGNDG-UHFFFAOYSA-N 1 1 195.266 1.985 10 0 ADAEMO CC[N@H+](CCC1CC1)C1CCNCC1 83935235 572462713 /nfs/dbraw/zinc/46/27/13/572462713.db2.gz HWTUQUMIWKYJNV-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[N@@H+](CCC1CC1)C1CCNCC1 83935235 572462717 /nfs/dbraw/zinc/46/27/17/572462717.db2.gz HWTUQUMIWKYJNV-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO Cc1scnc1-c1cnc(C[NH3+])o1 74244458 572462721 /nfs/dbraw/zinc/46/27/21/572462721.db2.gz BFCXAASPLCZHJG-UHFFFAOYSA-N 1 1 195.247 1.565 10 0 ADAEMO 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44651728 572463895 /nfs/dbraw/zinc/46/38/95/572463895.db2.gz UVSDKMISWYGPIQ-UHFFFAOYSA-N 1 1 158.289 1.376 10 0 ADAEMO CCCCNCC[NH2+]CCC 44651728 572463900 /nfs/dbraw/zinc/46/39/00/572463900.db2.gz UVSDKMISWYGPIQ-UHFFFAOYSA-N 1 1 158.289 1.376 10 0 ADAEMO CC(C)[C@H]([NH3+])c1n[nH]c2c1CCOC2 74243996 572463908 /nfs/dbraw/zinc/46/39/08/572463908.db2.gz ZQCSWWSBQJOCME-VIFPVBQESA-N 1 1 195.266 1.138 10 0 ADAEMO CC[C@@H](N)c1cc(CC[NH+](C)C)no1 74239378 572464029 /nfs/dbraw/zinc/46/40/29/572464029.db2.gz OVDVNLQTDACSKY-SECBINFHSA-N 1 1 197.282 1.189 10 0 ADAEMO CCC(C)(C)C[N@@H+](C)[C@H](C)CO 308035949 572464069 /nfs/dbraw/zinc/46/40/69/572464069.db2.gz KMFOPDYLIRELSJ-SECBINFHSA-N 1 1 173.300 1.735 10 0 ADAEMO COCc1ncc([C@@H]([NH3+])CC(C)C)[nH]1 74239297 572464084 /nfs/dbraw/zinc/46/40/84/572464084.db2.gz OSDMBLHOHKMCGX-QMMMGPOBSA-N 1 1 197.282 1.602 10 0 ADAEMO Cc1coc2c1S[C@@H](C)[C@@H]([NH3+])C2=O 74239597 572464109 /nfs/dbraw/zinc/46/41/09/572464109.db2.gz JBSMXLIAFBQPNG-NTSWFWBYSA-N 1 1 197.259 1.592 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)c1nn(C)cc1C 74243876 572464140 /nfs/dbraw/zinc/46/41/40/572464140.db2.gz AUNKQBHENSAFHD-QMMMGPOBSA-N 1 1 195.266 1.039 10 0 ADAEMO CSCC[N@@H+]1CCC(=O)C[C@@H]1C 69012039 572464204 /nfs/dbraw/zinc/46/42/04/572464204.db2.gz WXOZOYJAPFWKFA-QMMMGPOBSA-N 1 1 187.308 1.403 10 0 ADAEMO CSCC[N@H+]1CCC(=O)C[C@@H]1C 69012039 572464207 /nfs/dbraw/zinc/46/42/07/572464207.db2.gz WXOZOYJAPFWKFA-QMMMGPOBSA-N 1 1 187.308 1.403 10 0 ADAEMO COC(=O)C[NH2+][C@H]1CCCCC[C@@H]1C 83949246 572464209 /nfs/dbraw/zinc/46/42/09/572464209.db2.gz KRGAEPWELRNIDH-UWVGGRQHSA-N 1 1 199.294 1.718 10 0 ADAEMO C[NH2+][C@@H]1C(=O)c2occc2S[C@H]1C 74239611 572464259 /nfs/dbraw/zinc/46/42/59/572464259.db2.gz SJRRPXKVJJYGAK-FSPLSTOPSA-N 1 1 197.259 1.545 10 0 ADAEMO CC(C)c1cc([C@@H](O)CCC[NH3+])n[nH]1 74239334 572464288 /nfs/dbraw/zinc/46/42/88/572464288.db2.gz KSJCRVOZMZSTTN-JTQLQIEISA-N 1 1 197.282 1.305 10 0 ADAEMO O=C1CCCC[C@H]1[N@H+]1CCCOCC1 61919999 572464356 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183.295 1.799 10 0 ADAEMO CCC[C@@H]([NH3+])[C@](C)(O)c1[nH]ncc1C 74239240 572464899 /nfs/dbraw/zinc/46/48/99/572464899.db2.gz XXALYLGMZPVFMC-SCZZXKLOSA-N 1 1 197.282 1.053 10 0 ADAEMO CCC[C@H]([NH3+])[C@](C)(O)c1[nH]ncc1C 74239238 572464994 /nfs/dbraw/zinc/46/49/94/572464994.db2.gz XXALYLGMZPVFMC-WPRPVWTQSA-N 1 1 197.282 1.053 10 0 ADAEMO CCC[C@@H]([NH3+])[C@@](C)(O)c1[nH]ncc1C 74239245 572465062 /nfs/dbraw/zinc/46/50/62/572465062.db2.gz XXALYLGMZPVFMC-PSASIEDQSA-N 1 1 197.282 1.053 10 0 ADAEMO C[NH2+][C@H]1C(=O)c2ccoc2S[C@@H]1C 74239607 572465115 /nfs/dbraw/zinc/46/51/15/572465115.db2.gz IWAHSHSGHVLORS-IYSWYEEDSA-N 1 1 197.259 1.545 10 0 ADAEMO COCc1cnc([C@@H]2CCC[C@H]2[NH3+])[nH]1 74243883 572465196 /nfs/dbraw/zinc/46/51/96/572465196.db2.gz SNKVNWHSCQRDLC-RKDXNWHRSA-N 1 1 195.266 1.151 10 0 ADAEMO O=C1CCCC[C@@H]1[N@H+]1CCCOCC1 61920000 572465347 /nfs/dbraw/zinc/46/53/47/572465347.db2.gz NYZLOBOMJHWNTH-JTQLQIEISA-N 1 1 197.278 1.220 10 0 ADAEMO COCc1cnc([C@H]2CCC[C@H]2[NH3+])[nH]1 74243884 572465403 /nfs/dbraw/zinc/46/54/03/572465403.db2.gz SNKVNWHSCQRDLC-DTWKUNHWSA-N 1 1 195.266 1.151 10 0 ADAEMO Cc1coc2c1S[C@H](C)[C@H]([NH3+])C2=O 74239593 572465442 /nfs/dbraw/zinc/46/54/42/572465442.db2.gz JBSMXLIAFBQPNG-RITPCOANSA-N 1 1 197.259 1.592 10 0 ADAEMO Cc1cc([C@H](O)[C@@H]([NH3+])CC(C)C)[nH]n1 74239293 572465640 /nfs/dbraw/zinc/46/56/40/572465640.db2.gz INZWQDCEKVKUOY-WCBMZHEXSA-N 1 1 197.282 1.125 10 0 ADAEMO Cc1coc2c1S[C@@H](C)[C@H]([NH3+])C2=O 74239595 572465703 /nfs/dbraw/zinc/46/57/03/572465703.db2.gz JBSMXLIAFBQPNG-WDSKDSINSA-N 1 1 197.259 1.592 10 0 ADAEMO Cc1cc([C@@H](O)[C@@H]([NH3+])CC(C)C)[nH]n1 74239295 572465778 /nfs/dbraw/zinc/46/57/78/572465778.db2.gz INZWQDCEKVKUOY-WPRPVWTQSA-N 1 1 197.282 1.125 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2O)CCCO1 61920654 572465845 /nfs/dbraw/zinc/46/58/45/572465845.db2.gz VSIMBWFNELFVEM-MXWKQRLJSA-N 1 1 199.294 1.011 10 0 ADAEMO Cc1coc(C[N@H+]2CCC[C@@H]2CO)c1 74244175 572465943 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195.266 1.151 10 0 ADAEMO Cc1cc([C@@H](O)[C@H]([NH3+])CC(C)C)[nH]n1 74239292 572466301 /nfs/dbraw/zinc/46/63/01/572466301.db2.gz INZWQDCEKVKUOY-SCZZXKLOSA-N 1 1 197.282 1.125 10 0 ADAEMO C[C@H](N)C[N@@H+](C)[C@H](C)CC1CC1 308036351 572466316 /nfs/dbraw/zinc/46/63/16/572466316.db2.gz KSMQPZKHUQDNTL-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H]([NH3+])CN(C)[C@H](C)CC1CC1 308036351 572466320 /nfs/dbraw/zinc/46/63/20/572466320.db2.gz KSMQPZKHUQDNTL-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[C@H]([NH3+])[C@@](C)(O)c1[nH]ncc1C 74239244 572466370 /nfs/dbraw/zinc/46/63/70/572466370.db2.gz XXALYLGMZPVFMC-WCBMZHEXSA-N 1 1 197.282 1.053 10 0 ADAEMO CCCC(=O)C[N@H+]1CCCO[C@H](C)C1 61919802 572466379 /nfs/dbraw/zinc/46/63/79/572466379.db2.gz VJTOQEORQQXHOM-SNVBAGLBSA-N 1 1 199.294 1.466 10 0 ADAEMO CCCC(=O)C[N@@H+]1CCCOCC1 61919963 572466438 /nfs/dbraw/zinc/46/64/38/572466438.db2.gz SEKCAAMMMNNYGP-UHFFFAOYSA-N 1 1 185.267 1.078 10 0 ADAEMO CCCC(=O)C[N@H+]1CCCOCC1 61919963 572466443 /nfs/dbraw/zinc/46/64/43/572466443.db2.gz SEKCAAMMMNNYGP-UHFFFAOYSA-N 1 1 185.267 1.078 10 0 ADAEMO Cc1cnc([C@H](N)CCC[NH+](C)C)o1 74239359 572466459 /nfs/dbraw/zinc/46/64/59/572466459.db2.gz LBABOKBXXTZZQP-SECBINFHSA-N 1 1 197.282 1.325 10 0 ADAEMO CCCC[C@]1(CC)C[C@H]([NH3+])C(=O)O1 238256057 572466556 /nfs/dbraw/zinc/46/65/56/572466556.db2.gz BWDDOQWTXZEUKG-WCBMZHEXSA-N 1 1 185.267 1.600 10 0 ADAEMO Cc1cc([C@H](O)[C@H]([NH3+])CC(C)C)[nH]n1 74239291 572466574 /nfs/dbraw/zinc/46/65/74/572466574.db2.gz INZWQDCEKVKUOY-PSASIEDQSA-N 1 1 197.282 1.125 10 0 ADAEMO Nc1cc(CCc2ccccn2)cc[nH+]1 83951875 572466761 /nfs/dbraw/zinc/46/67/61/572466761.db2.gz MVPSUFKEWZOKMD-UHFFFAOYSA-N 1 1 199.257 1.844 10 0 ADAEMO CCCC[C@]1(CC)COC(N)=[NH+]1 83952556 572466779 /nfs/dbraw/zinc/46/67/79/572466779.db2.gz GQXCAYVXVAFEEX-SECBINFHSA-N 1 1 170.256 1.670 10 0 ADAEMO COCCCCNc1ccc(N)c[nH+]1 44656873 572467013 /nfs/dbraw/zinc/46/70/13/572467013.db2.gz LZWUQNWOSZDAQW-UHFFFAOYSA-N 1 1 195.266 1.502 10 0 ADAEMO C[C@@H](N)C[N@@H+](C)[C@H](C)CC1CC1 308036360 572467042 /nfs/dbraw/zinc/46/70/42/572467042.db2.gz KSMQPZKHUQDNTL-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]([NH3+])CN(C)[C@H](C)CC1CC1 308036360 572467048 /nfs/dbraw/zinc/46/70/48/572467048.db2.gz KSMQPZKHUQDNTL-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO CCOC(=O)[C@H](CC)[NH+]1CCC1 308036899 572467215 /nfs/dbraw/zinc/46/72/15/572467215.db2.gz KXRCLXUWVMKZPS-QMMMGPOBSA-N 1 1 171.240 1.034 10 0 ADAEMO [NH3+][C@H](c1ccco1)[C@@H](O)C(F)(F)F 74245529 572467239 /nfs/dbraw/zinc/46/72/39/572467239.db2.gz AFIXUTBKAWGUEP-PHDIDXHHSA-N 1 1 195.140 1.203 10 0 ADAEMO C[N@H+]1CC[C@](O)(c2cccs2)C1 61986515 572467295 /nfs/dbraw/zinc/46/72/95/572467295.db2.gz MTHPBWQOWBFXID-SECBINFHSA-N 1 1 183.276 1.271 10 0 ADAEMO COC(=O)[C@H]1C[N@@H+](CC(C)C)C[C@@H]1C 87400429 572467412 /nfs/dbraw/zinc/46/74/12/572467412.db2.gz QGYRYXBOAUTMDS-UWVGGRQHSA-N 1 1 199.294 1.383 10 0 ADAEMO Nc1[nH+]cccc1CCc1ccccn1 83951883 572467520 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1.349 10 0 ADAEMO CC(=O)[C@H](C)[N@H+](C)CCOCC1CC1 87399980 572469077 /nfs/dbraw/zinc/46/90/77/572469077.db2.gz HPARZCTWCDEIPK-VIFPVBQESA-N 1 1 199.294 1.322 10 0 ADAEMO CC(=O)[C@H](C)[N@@H+](C)CCOCC1CC1 87399980 572469080 /nfs/dbraw/zinc/46/90/80/572469080.db2.gz HPARZCTWCDEIPK-VIFPVBQESA-N 1 1 199.294 1.322 10 0 ADAEMO C/C=C/C[N@@H+]1C[C@@H](C(=O)OC)[C@@H](C)C1 87400426 572469124 /nfs/dbraw/zinc/46/91/24/572469124.db2.gz HBNJYWQNILODEC-OCIBVNFRSA-N 1 1 197.278 1.303 10 0 ADAEMO CC(=O)[C@@H](C)[N@H+](C)CCOCC1CC1 87399981 572469301 /nfs/dbraw/zinc/46/93/01/572469301.db2.gz HPARZCTWCDEIPK-SECBINFHSA-N 1 1 199.294 1.322 10 0 ADAEMO CC(=O)[C@@H](C)[N@@H+](C)CCOCC1CC1 87399981 572469309 /nfs/dbraw/zinc/46/93/09/572469309.db2.gz HPARZCTWCDEIPK-SECBINFHSA-N 1 1 199.294 1.322 10 0 ADAEMO C[N@H+]1CC[C@](O)(c2cccc(F)c2)C1 61986906 572469376 /nfs/dbraw/zinc/46/93/76/572469376.db2.gz DDLSWRZQFWRWLQ-LLVKDONJSA-N 1 1 195.237 1.349 10 0 ADAEMO CCC(=O)C[N@H+](C)CCOCC1CC1 87399974 572469395 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83969079 572471416 /nfs/dbraw/zinc/47/14/16/572471416.db2.gz CQJMADQXXBJUJT-NSHDSACASA-N 1 1 194.278 1.052 10 0 ADAEMO c1n[nH]cc1N[C@H]1CC[N@H+](C2CC2)C1 61980579 572471438 /nfs/dbraw/zinc/47/14/38/572471438.db2.gz ZAZVDFSZRHYFQD-QMMMGPOBSA-N 1 1 192.266 1.058 10 0 ADAEMO COCc1ccc(C(=[NH2+])OC)cc1 83969461 572471459 /nfs/dbraw/zinc/47/14/59/572471459.db2.gz ZLFLGADVGVKBJW-UHFFFAOYSA-N 1 1 179.219 1.805 10 0 ADAEMO Cc1ccn(C)c1[C@@H](C)[NH+]1CC(O)C1 74246069 572471477 /nfs/dbraw/zinc/47/14/77/572471477.db2.gz MSZZQIURUBTWRG-SECBINFHSA-N 1 1 194.278 1.071 10 0 ADAEMO C[N@H+]1CC[C@@](O)(c2ccccc2)C1 61987674 572471554 /nfs/dbraw/zinc/47/15/54/572471554.db2.gz KHKJEZHCAXTVGB-NSHDSACASA-N 1 1 177.247 1.210 10 0 ADAEMO CN[C@H](C[NH3+])c1cccc(COC)c1 83968352 572471674 /nfs/dbraw/zinc/47/16/74/572471674.db2.gz PJUHRETXKGAQBI-LLVKDONJSA-N 1 1 194.278 1.052 10 0 ADAEMO C[N@H+]1CC[C@](O)(C2CCCCC2)C1 61987586 572471690 /nfs/dbraw/zinc/47/16/90/572471690.db2.gz IHPXFAFAOYFMJM-LLVKDONJSA-N 1 1 183.295 1.633 10 0 ADAEMO CCC[N@@H+](CC(C)C)C[C@H](C)N 308039501 572471741 /nfs/dbraw/zinc/47/17/41/572471741.db2.gz MNWUZWGYWUKZIA-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO C[NH2+][C@H]1C(=O)c2occ(C)c2O[C@@H]1C 74245019 572471840 /nfs/dbraw/zinc/47/18/40/572471840.db2.gz DVIJGCHPVAZFQP-RNFRBKRXSA-N 1 1 195.218 1.140 10 0 ADAEMO CC(C)[N@@H+](CCO)[C@H]1CCSC1 308038823 572471859 /nfs/dbraw/zinc/47/18/59/572471859.db2.gz MCBGSBZEQGLFMG-VIFPVBQESA-N 1 1 189.324 1.195 10 0 ADAEMO CC(C)Cc1cc(=O)n(CCC[NH3+])[nH]1 250555238 572471875 /nfs/dbraw/zinc/47/18/75/572471875.db2.gz BXBHIFZFNVJIES-UHFFFAOYSA-N 1 1 197.282 1.136 10 0 ADAEMO CC(C)C(=O)CC[N@@H+](C)C1CC1 308039899 572471922 /nfs/dbraw/zinc/47/19/22/572471922.db2.gz MUHAETVLFDVLIO-UHFFFAOYSA-N 1 1 169.268 1.696 10 0 ADAEMO C[NH2+][C@@H]1C(=O)c2occ(C)c2O[C@@H]1C 74245016 572472217 /nfs/dbraw/zinc/47/22/17/572472217.db2.gz DVIJGCHPVAZFQP-RQJHMYQMSA-N 1 1 195.218 1.140 10 0 ADAEMO CCC[N@@H+](CC(C)C)C[C@@H](C)N 308039504 572472318 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CCC(CC)[N@H+]1CC[C@H](C(=O)OC)C1 87416958 572478464 /nfs/dbraw/zinc/47/84/64/572478464.db2.gz HDSCDMCTURYHEO-VIFPVBQESA-N 1 1 199.294 1.670 10 0 ADAEMO CN[C@@H]1CCC[N@H+](C(C)(C)C2CC2)C1 234451326 572474767 /nfs/dbraw/zinc/47/47/67/572474767.db2.gz ZAZOHZCTYYNAOB-LLVKDONJSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCCc1[nH]cnc1CC[NH2+]C 238260466 572474813 /nfs/dbraw/zinc/47/48/13/572474813.db2.gz UAZSZRXTUMMIIR-UHFFFAOYSA-N 1 1 181.283 1.514 10 0 ADAEMO CCC[C@]1(C(=O)CC)[NH2+]CCS1 238259103 572474903 /nfs/dbraw/zinc/47/49/03/572474903.db2.gz UPHJLFCDUULHNR-VIFPVBQESA-N 1 1 187.308 1.798 10 0 ADAEMO COC(=O)[C@H]1C[N@@H+](CC2CC2)C[C@H]1C 87416585 572475326 /nfs/dbraw/zinc/47/53/26/572475326.db2.gz AXFYZXYIQSHOGM-SCZZXKLOSA-N 1 1 197.278 1.137 10 0 ADAEMO CCC(CC)[NH2+]C[C@H](C)N 53490655 572478486 /nfs/dbraw/zinc/47/84/86/572478486.db2.gz XKLHTQTUKDGWGF-ZETCQYMHSA-N 1 1 144.262 1.112 10 0 ADAEMO CC[C@H](C)[N@@H+]1C[C@@H](C(=O)OC)[C@@H](C)C1 87416531 572475662 /nfs/dbraw/zinc/47/56/62/572475662.db2.gz XMAGXKXJBSSGDW-LPEHRKFASA-N 1 1 199.294 1.526 10 0 ADAEMO CCC(C)(C)[NH2+]C[C@H](C)N 53490653 572476190 /nfs/dbraw/zinc/47/61/90/572476190.db2.gz XFERNRUWHLGACP-ZETCQYMHSA-N 1 1 144.262 1.112 10 0 ADAEMO c1ccn([C@@H]2CC[N@H+](C3CC3)C2)c1 44727593 572476203 /nfs/dbraw/zinc/47/62/03/572476203.db2.gz QBTGJADGDDFGIP-LLVKDONJSA-N 1 1 176.263 1.897 10 0 ADAEMO CCCC[NH2+]C[C@@H](C)NCC 53493364 572476296 /nfs/dbraw/zinc/47/62/96/572476296.db2.gz KEFNYIIMRLAZLC-SECBINFHSA-N 1 1 158.289 1.374 10 0 ADAEMO CC[C@H](COC)[N@@H+]1CC=CCC1 308040313 572476388 /nfs/dbraw/zinc/47/63/88/572476388.db2.gz NANCOUUTKADFGK-SNVBAGLBSA-N 1 1 169.268 1.673 10 0 ADAEMO CCC(C)(C)[NH2+]C[C@@H](C)N 53490652 572476478 /nfs/dbraw/zinc/47/64/78/572476478.db2.gz XFERNRUWHLGACP-SSDOTTSWSA-N 1 1 144.262 1.112 10 0 ADAEMO CCCC[NH2+]C[C@H](C)NC(C)C 53493577 572476492 /nfs/dbraw/zinc/47/64/92/572476492.db2.gz LICFGXAUCIWCFX-JTQLQIEISA-N 1 1 172.316 1.763 10 0 ADAEMO CCCCNC[C@H](C)[NH2+]C(C)C 53493577 572476496 /nfs/dbraw/zinc/47/64/96/572476496.db2.gz LICFGXAUCIWCFX-JTQLQIEISA-N 1 1 172.316 1.763 10 0 ADAEMO CC[C@@H](C)CC[N@H+]1CC[C@@H](N)C1 238263176 572478538 /nfs/dbraw/zinc/47/85/38/572478538.db2.gz NGCLEADRAORJJE-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO Cc1nc(C[NH2+]C[C@H]2CC2(C)C)no1 235932026 572476716 /nfs/dbraw/zinc/47/67/16/572476716.db2.gz KXOSCCSVPKAEIY-MRVPVSSYSA-N 1 1 195.266 1.514 10 0 ADAEMO CCCN[C@H](C)C[NH2+]CC(C)C 53493439 572476737 /nfs/dbraw/zinc/47/67/37/572476737.db2.gz CWZQNHJOVMMLAV-SNVBAGLBSA-N 1 1 172.316 1.620 10 0 ADAEMO COC(=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1C 87416586 572476787 /nfs/dbraw/zinc/47/67/87/572476787.db2.gz AXFYZXYIQSHOGM-WPRPVWTQSA-N 1 1 197.278 1.137 10 0 ADAEMO CCCCC[NH2+]C[C@H](C)N 53490659 572477162 /nfs/dbraw/zinc/47/71/62/572477162.db2.gz FILPDSRPIOLSCJ-QMMMGPOBSA-N 1 1 144.262 1.113 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@@H](C(=O)OC)C1 87416959 572477280 /nfs/dbraw/zinc/47/72/80/572477280.db2.gz 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141451633 572478311 /nfs/dbraw/zinc/47/83/11/572478311.db2.gz BAYQGHMDMUQMIH-HTQZYQBOSA-N 1 1 153.225 1.060 10 0 ADAEMO CC(C)[NH2+][C@H](C)CNC(C)(C)C 53493543 572478352 /nfs/dbraw/zinc/47/83/52/572478352.db2.gz MSDSCJHRSXCKBW-SECBINFHSA-N 1 1 172.316 1.761 10 0 ADAEMO C[C@H]1C(=O)CC[N@@H+]2CCC[C@@H]12 141449267 572478394 /nfs/dbraw/zinc/47/83/94/572478394.db2.gz PYVZFDJVSWKNEJ-SFYZADRCSA-N 1 1 153.225 1.060 10 0 ADAEMO CC[C@@H](C)CCN1CC[C@@H]([NH3+])C1 238263176 572478544 /nfs/dbraw/zinc/47/85/44/572478544.db2.gz NGCLEADRAORJJE-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@H]1C[C@H]2CC(=O)CC[N@H+]2C1 141466741 572478580 /nfs/dbraw/zinc/47/85/80/572478580.db2.gz NQRHSHVVFRXTFQ-BDAKNGLRSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@@H]1C[C@H]2CC(=O)CC[N@H+]2C1 141452002 572478592 /nfs/dbraw/zinc/47/85/92/572478592.db2.gz BAYQGHMDMUQMIH-SFYZADRCSA-N 1 1 153.225 1.060 10 0 ADAEMO CN1CC[C@@H](C(F)(F)F)[C@H]1CC[NH3+] 250573758 572478815 /nfs/dbraw/zinc/47/88/15/572478815.db2.gz 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250564709 572479127 /nfs/dbraw/zinc/47/91/27/572479127.db2.gz DBIXMOWOKCHTRD-MNOVXSKESA-N 1 1 183.295 1.491 10 0 ADAEMO CC(C)N1CCC[C@@H]2C[NH2+]CC[C@H]21 141440486 572479146 /nfs/dbraw/zinc/47/91/46/572479146.db2.gz QCEKPDMMGFQBLU-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC(CC)[NH2+]C[C@@H](C)N 53490654 572479157 /nfs/dbraw/zinc/47/91/57/572479157.db2.gz XKLHTQTUKDGWGF-SSDOTTSWSA-N 1 1 144.262 1.112 10 0 ADAEMO C[C@@H]1C(=O)CC[N@@H+]2CCC[C@H]12 141449818 572479370 /nfs/dbraw/zinc/47/93/70/572479370.db2.gz PYVZFDJVSWKNEJ-JGVFFNPUSA-N 1 1 153.225 1.060 10 0 ADAEMO CC[C@@H]1C[C@@H]2CC(=O)CC[N@H+]2C1 141466354 572479335 /nfs/dbraw/zinc/47/93/35/572479335.db2.gz NQRHSHVVFRXTFQ-RKDXNWHRSA-N 1 1 167.252 1.450 10 0 ADAEMO CC[C@H]1C[C@@H]2CC(=O)CC[N@H+]2C1 141466539 572479475 /nfs/dbraw/zinc/47/94/75/572479475.db2.gz NQRHSHVVFRXTFQ-DTWKUNHWSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H]1CC[C@H](C)[N@H+](CCNC2CC2)C1 84047182 572479537 /nfs/dbraw/zinc/47/95/37/572479537.db2.gz 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238263146 572480746 /nfs/dbraw/zinc/48/07/46/572480746.db2.gz OWBHHUMRUICQLF-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO Cc1cc(C(=O)[C@@H]([NH3+])CC2CC2)no1 74246657 572480149 /nfs/dbraw/zinc/48/01/49/572480149.db2.gz XPQLXFOLJPYXGD-QMMMGPOBSA-N 1 1 194.234 1.293 10 0 ADAEMO Cc1cocc1[C@@H](CN)[NH+]1CCCC1 74246216 572480168 /nfs/dbraw/zinc/48/01/68/572480168.db2.gz HEBWCNDPEJBTOD-LLVKDONJSA-N 1 1 194.278 1.684 10 0 ADAEMO CCOCCCc1cnc(C[NH3+])o1 87439014 572480249 /nfs/dbraw/zinc/48/02/49/572480249.db2.gz GBGQWZKWPLIRFD-UHFFFAOYSA-N 1 1 184.239 1.102 10 0 ADAEMO C[N@H+]1CC[C@@H]1[C@H](CCO)C1CCC1 250577687 572480269 /nfs/dbraw/zinc/48/02/69/572480269.db2.gz FOQOGRQYAALRQJ-GHMZBOCLSA-N 1 1 183.295 1.489 10 0 ADAEMO C[N@H+]1CCC[C@@]2(CC1)C[C@H]2CCO 250564705 572480371 /nfs/dbraw/zinc/48/03/71/572480371.db2.gz DBIXMOWOKCHTRD-GHMZBOCLSA-N 1 1 183.295 1.491 10 0 ADAEMO C[C@H]1C[C@H]2CC(=O)CC[N@H+]2C1 141452187 572480385 /nfs/dbraw/zinc/48/03/85/572480385.db2.gz BAYQGHMDMUQMIH-YUMQZZPRSA-N 1 1 153.225 1.060 10 0 ADAEMO C[N@@H+]1CCC[C@H]1[C@@H](N)c1ccncc1 250572926 572480451 /nfs/dbraw/zinc/48/04/51/572480451.db2.gz FBYNULBAWFJNHQ-QWRGUYRKSA-N 1 1 191.278 1.176 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](N)c1ccncc1 250572926 572480455 /nfs/dbraw/zinc/48/04/55/572480455.db2.gz FBYNULBAWFJNHQ-QWRGUYRKSA-N 1 1 191.278 1.176 10 0 ADAEMO CCOCCCc1nnc([C@@H](C)[NH3+])o1 87438339 572480470 /nfs/dbraw/zinc/48/04/70/572480470.db2.gz ZRRNWRNRCHFFGQ-SSDOTTSWSA-N 1 1 199.254 1.058 10 0 ADAEMO CCOCCCc1nnc([C@H](C)[NH3+])o1 87438341 572480535 /nfs/dbraw/zinc/48/05/35/572480535.db2.gz ZRRNWRNRCHFFGQ-ZETCQYMHSA-N 1 1 199.254 1.058 10 0 ADAEMO C[N@H+]1CC[C@H]1[C@H](CCO)C1CCC1 250577692 572480700 /nfs/dbraw/zinc/48/07/00/572480700.db2.gz FOQOGRQYAALRQJ-MNOVXSKESA-N 1 1 183.295 1.489 10 0 ADAEMO C[N@H+]1CC[C@@H]1[C@@H](O)C1CCCCC1 250565595 572480748 /nfs/dbraw/zinc/48/07/48/572480748.db2.gz DEXDNASOUNLLLI-MNOVXSKESA-N 1 1 183.295 1.632 10 0 ADAEMO CC[C@@H](C)CC[N@@H+]1CCC[C@@H](N)C1 238263146 572480750 /nfs/dbraw/zinc/48/07/50/572480750.db2.gz OWBHHUMRUICQLF-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H](C)CC[N@H+]1CCC[C@@H](N)C1 238263146 572480754 /nfs/dbraw/zinc/48/07/54/572480754.db2.gz OWBHHUMRUICQLF-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO Cc1cocc1[C@H](CN)[NH+]1CCCC1 74246217 572480819 /nfs/dbraw/zinc/48/08/19/572480819.db2.gz HEBWCNDPEJBTOD-NSHDSACASA-N 1 1 194.278 1.684 10 0 ADAEMO CC[C@@H](C)CC[N@H+]1CCC[C@@H]1CN 238263156 572480833 /nfs/dbraw/zinc/48/08/33/572480833.db2.gz OGGIZILZXNXQSY-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO C[N@@H+]1CCC[C@@H]1[C@@H](N)c1ccncc1 250572924 572480861 /nfs/dbraw/zinc/48/08/61/572480861.db2.gz FBYNULBAWFJNHQ-MNOVXSKESA-N 1 1 191.278 1.176 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@@H](N)c1ccncc1 250572924 572480866 /nfs/dbraw/zinc/48/08/66/572480866.db2.gz FBYNULBAWFJNHQ-MNOVXSKESA-N 1 1 191.278 1.176 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@H](CO)C2CC2)C1 250571902 572481184 /nfs/dbraw/zinc/48/11/84/572481184.db2.gz DYCYPDLLWJVRBB-WDEREUQCSA-N 1 1 183.295 1.347 10 0 ADAEMO C[N@H+](C[C@@H](N)Cc1ccco1)C1CC1 74246237 572481185 /nfs/dbraw/zinc/48/11/85/572481185.db2.gz NTQLXJRZYITFIE-VIFPVBQESA-N 1 1 194.278 1.244 10 0 ADAEMO C[N@@H+](C[C@@H](N)Cc1ccco1)C1CC1 74246237 572481186 /nfs/dbraw/zinc/48/11/86/572481186.db2.gz NTQLXJRZYITFIE-VIFPVBQESA-N 1 1 194.278 1.244 10 0 ADAEMO CN1C[C@H](C[NH3+])C[C@H]1c1ccncc1 250569044 572481192 /nfs/dbraw/zinc/48/11/92/572481192.db2.gz DQFJDBFLBBLPLL-ONGXEEELSA-N 1 1 191.278 1.033 10 0 ADAEMO C[N@H+]1CCCC[C@H]1[C@H](CCO)C1CC1 250567157 572481279 /nfs/dbraw/zinc/48/12/79/572481279.db2.gz DJOUXEXAEVSZIR-NEPJUHHUSA-N 1 1 197.322 1.879 10 0 ADAEMO Cc1cnc(-n2cc(N)[nH+]c2C)s1 74246286 572483404 /nfs/dbraw/zinc/48/34/04/572483404.db2.gz STKIEJHHKWPWDB-UHFFFAOYSA-N 1 1 194.263 1.528 10 0 ADAEMO C[N@H+]1CCCC[C@@H]2CCC(=O)C[C@H]21 250563303 572481618 /nfs/dbraw/zinc/48/16/18/572481618.db2.gz CWSNAVDJJXJSFU-MWLCHTKSSA-N 1 1 181.279 1.840 10 0 ADAEMO CC[C@H]([NH3+])c1nnc(CCCOC)o1 87438474 572481644 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/nfs/dbraw/zinc/48/30/52/572483052.db2.gz DFDHSUFDOJCJMH-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO CN1CC[C@H](C(F)(F)F)[C@H]1CC[NH3+] 250573755 572483253 /nfs/dbraw/zinc/48/32/53/572483253.db2.gz FECWGCUELSRCRO-NKWVEPMBSA-N 1 1 196.216 1.218 10 0 ADAEMO Nc1[nH+]cccc1Nc1ccccn1 141301334 572483383 /nfs/dbraw/zinc/48/33/83/572483383.db2.gz QGYUSDBOJKRJCW-UHFFFAOYSA-N 1 1 186.218 1.802 10 0 ADAEMO C[N@H+]1CC[C@H]([C@H](CCO)C2CCC2)C1 250561260 572483415 /nfs/dbraw/zinc/48/34/15/572483415.db2.gz CMRIQLYARCPRKU-NWDGAFQWSA-N 1 1 197.322 1.737 10 0 ADAEMO Cc1nc[nH]c1-c1nc(C[NH3+])cs1 74246301 572483558 /nfs/dbraw/zinc/48/35/58/572483558.db2.gz AKSLNOXELAWPQK-UHFFFAOYSA-N 1 1 194.263 1.300 10 0 ADAEMO CCC[C@H](O)CC1=CC[N@@H+](C)CC1 238261792 572483621 /nfs/dbraw/zinc/48/36/21/572483621.db2.gz GEDXXQVOMNNPFX-NSHDSACASA-N 1 1 183.295 1.799 10 0 ADAEMO CCc1ccc2nc(CC[NH3+])[nH]c2c1 62152816 572483641 /nfs/dbraw/zinc/48/36/41/572483641.db2.gz DFEGRBIVWSBSMO-UHFFFAOYSA-N 1 1 189.262 1.627 10 0 ADAEMO C[C@H]1CC[C@@H](C)[N@H+](CCNC2CC2)C1 84047189 572483665 /nfs/dbraw/zinc/48/36/65/572483665.db2.gz UJLJZRYLXFOXSU-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CC[C@@H](C)[N@@H+](CCNC2CC2)C1 84047189 572483670 /nfs/dbraw/zinc/48/36/70/572483670.db2.gz UJLJZRYLXFOXSU-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@H](CO)C2CC2)C1 250571898 572483707 /nfs/dbraw/zinc/48/37/07/572483707.db2.gz DYCYPDLLWJVRBB-GHMZBOCLSA-N 1 1 183.295 1.347 10 0 ADAEMO C[N@@H+](CCCCF)CCC(N)=S 308041289 572483772 /nfs/dbraw/zinc/48/37/72/572483772.db2.gz NLLDCVYWHKJRJV-UHFFFAOYSA-N 1 1 192.303 1.344 10 0 ADAEMO CC[N@@H+](C)C[C@H](O)C(C)(C)CC 308041366 572484222 /nfs/dbraw/zinc/48/42/22/572484222.db2.gz NQEXALOXFQWFTF-VIFPVBQESA-N 1 1 173.300 1.735 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@H](CCO)C2CC2)C1 250593616 572484124 /nfs/dbraw/zinc/48/41/24/572484124.db2.gz IBCRUUOZTDTUKF-NWDGAFQWSA-N 1 1 197.322 1.737 10 0 ADAEMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCC(N)=O)C1 238264029 572484147 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1.884 10 0 ADAEMO C[N@H+]1CCCC[C@H]2CC(=O)CC[C@H]21 250592578 572484603 /nfs/dbraw/zinc/48/46/03/572484603.db2.gz HVLZCDLHVYKYGU-GXSJLCMTSA-N 1 1 181.279 1.840 10 0 ADAEMO C[N@@H+]1[C@H](C2CCCC2)CC[C@@H]1CN 250594137 572484627 /nfs/dbraw/zinc/48/46/27/572484627.db2.gz IEEIRIXGUODJQD-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CCc2ncccc2C1 141363429 572484647 /nfs/dbraw/zinc/48/46/47/572484647.db2.gz DBXCIDMJJODDQR-UHFFFAOYSA-N 1 1 148.209 1.070 10 0 ADAEMO CCC[NH2+]Cc1nc(COCC)no1 84062200 572484703 /nfs/dbraw/zinc/48/47/03/572484703.db2.gz VWOXJFKOLSMDOC-UHFFFAOYSA-N 1 1 199.254 1.106 10 0 ADAEMO CCC(C)(C)C[N@@H+]1CC[C@@](C)(N)C1 405794251 572484706 /nfs/dbraw/zinc/48/47/06/572484706.db2.gz ULMZBGJCLIVSDV-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC(C)(C)C[N@H+]1CC[C@@](C)(N)C1 405794251 572484709 /nfs/dbraw/zinc/48/47/09/572484709.db2.gz ULMZBGJCLIVSDV-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC(C)(C)CN1CC[C@@](C)([NH3+])C1 405794251 572484715 /nfs/dbraw/zinc/48/47/15/572484715.db2.gz ULMZBGJCLIVSDV-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCOC[C@@H](O)c1cc(C)c[nH+]c1N 84063565 572484743 /nfs/dbraw/zinc/48/47/43/572484743.db2.gz XNKZMUQCZDNYOC-SECBINFHSA-N 1 1 196.250 1.042 10 0 ADAEMO CCN1CC[C@H](C)[NH2+][C@@H](C)C1 250356008 572484837 /nfs/dbraw/zinc/48/48/37/572484837.db2.gz SENKXQDWHMAQRE-IUCAKERBSA-N 1 1 156.273 1.079 10 0 ADAEMO CCOC[C@@H](O)c1c(C)cc[nH+]c1N 84063207 572484889 /nfs/dbraw/zinc/48/48/89/572484889.db2.gz RDGBVSWGVNVKSN-MRVPVSSYSA-N 1 1 196.250 1.042 10 0 ADAEMO CCC[C@H]([NH3+])c1nc(COCC)no1 84062458 572484929 /nfs/dbraw/zinc/48/49/29/572484929.db2.gz CEBINTLWHXPIER-ZETCQYMHSA-N 1 1 199.254 1.406 10 0 ADAEMO COCCCc1cnc([C@H](C)[NH3+])o1 87439027 572484996 /nfs/dbraw/zinc/48/49/96/572484996.db2.gz UEOHQPXXVVUJHX-ZETCQYMHSA-N 1 1 184.239 1.273 10 0 ADAEMO C[N@H+]1CC[C@@H]1[C@H](CCCO)C1CC1 250593892 572485162 /nfs/dbraw/zinc/48/51/62/572485162.db2.gz IDECOQHHGRILRM-GHMZBOCLSA-N 1 1 183.295 1.489 10 0 ADAEMO 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183.255 1.061 10 0 ADAEMO CCOCc1noc([C@H]([NH3+])C(C)C)n1 84062285 572486106 /nfs/dbraw/zinc/48/61/06/572486106.db2.gz MNPHJYHOARCHTH-MRVPVSSYSA-N 1 1 199.254 1.262 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H](O)C2CCC2)C1 250585148 572486210 /nfs/dbraw/zinc/48/62/10/572486210.db2.gz GNFFIJUPRDLCJX-QWRGUYRKSA-N 1 1 183.295 1.489 10 0 ADAEMO CCOCc1noc([C@@H](CC)[NH2+]C)n1 84062239 572486275 /nfs/dbraw/zinc/48/62/75/572486275.db2.gz JHWFECIABFSTRF-SSDOTTSWSA-N 1 1 199.254 1.277 10 0 ADAEMO CCOCc1noc([C@H]([NH3+])C2CC2)n1 84062443 572486308 /nfs/dbraw/zinc/48/63/08/572486308.db2.gz AFVLGUKICPRNBK-MRVPVSSYSA-N 1 1 197.238 1.016 10 0 ADAEMO C[N@H+]1CCCC[C@@H]2CC(=O)CC[C@H]21 250592580 572486349 /nfs/dbraw/zinc/48/63/49/572486349.db2.gz HVLZCDLHVYKYGU-MWLCHTKSSA-N 1 1 181.279 1.840 10 0 ADAEMO C[NH+](C)[C@H]1Cc2ccc(F)cc2[C@@H]1N 74246415 572486370 /nfs/dbraw/zinc/48/63/70/572486370.db2.gz XTZUPLKKPOVQCO-QWRGUYRKSA-N 1 1 194.253 1.312 10 0 ADAEMO CCOCc1noc([C@H]([NH3+])CC)n1 84062225 572486430 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184.327 1.716 10 0 ADAEMO CCOCc1noc([C@@H]([NH3+])C(C)C)n1 84062286 572486937 /nfs/dbraw/zinc/48/69/37/572486937.db2.gz MNPHJYHOARCHTH-QMMMGPOBSA-N 1 1 199.254 1.262 10 0 ADAEMO CCOCc1noc([C@@H]([NH3+])CC)n1 84062224 572487050 /nfs/dbraw/zinc/48/70/50/572487050.db2.gz YZVVKJNJQNENRF-LURJTMIESA-N 1 1 185.227 1.016 10 0 ADAEMO C[N@H+]1CC[C@H]([C@H](CCCO)C2CC2)C1 250581061 572487080 /nfs/dbraw/zinc/48/70/80/572487080.db2.gz FZWQHYDYFQRILA-NWDGAFQWSA-N 1 1 197.322 1.737 10 0 ADAEMO CCOCc1noc(C[NH2+]C(C)C)n1 84062382 572487243 /nfs/dbraw/zinc/48/72/43/572487243.db2.gz CUELAXFYXHTBKP-UHFFFAOYSA-N 1 1 199.254 1.104 10 0 ADAEMO CCOCc1noc([C@H](CC)[NH2+]C)n1 84062236 572487292 /nfs/dbraw/zinc/48/72/92/572487292.db2.gz JHWFECIABFSTRF-ZETCQYMHSA-N 1 1 199.254 1.277 10 0 ADAEMO CCOC[C@H](O)c1c(C)cc[nH+]c1N 84063205 572487317 /nfs/dbraw/zinc/48/73/17/572487317.db2.gz RDGBVSWGVNVKSN-QMMMGPOBSA-N 1 1 196.250 1.042 10 0 ADAEMO C[NH+](C)[C@H]1Cc2ccc(F)cc2[C@H]1N 74246417 572487331 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169.268 1.242 10 0 ADAEMO CN1CC[C@@H](c2ccco2)[C@@H](C[NH3+])C1 250580326 572487880 /nfs/dbraw/zinc/48/78/80/572487880.db2.gz FYIYTFXRISYBIS-VHSXEESVSA-N 1 1 194.278 1.274 10 0 ADAEMO COC[C@@H](C)Cc1cnc([C@@H](C)[NH3+])o1 87439031 572487882 /nfs/dbraw/zinc/48/78/82/572487882.db2.gz AQXWEANJXROYKN-JGVFFNPUSA-N 1 1 198.266 1.519 10 0 ADAEMO C[N@H+]1CC[C@H]1[C@H](CCCO)C1CC1 250593896 572487908 /nfs/dbraw/zinc/48/79/08/572487908.db2.gz IDECOQHHGRILRM-MNOVXSKESA-N 1 1 183.295 1.489 10 0 ADAEMO C[N@H+]1CCCC[C@H]1[C@H](CO)C1CC1 250630324 572487988 /nfs/dbraw/zinc/48/79/88/572487988.db2.gz QYSJHLURTJDTAA-MNOVXSKESA-N 1 1 183.295 1.489 10 0 ADAEMO C[NH2+]Cc1ncc(C[C@@H](C)COC)o1 87439061 572488221 /nfs/dbraw/zinc/48/82/21/572488221.db2.gz GDBSSDWHDWONEN-MRVPVSSYSA-N 1 1 198.266 1.219 10 0 ADAEMO CCOCc1noc(C(C)(C)[NH2+]C)n1 84062364 572488342 /nfs/dbraw/zinc/48/83/42/572488342.db2.gz CFXWEMNYTYTCLZ-UHFFFAOYSA-N 1 1 199.254 1.061 10 0 ADAEMO C[NH2+]Cc1ncc(C[C@H](C)COC)o1 87439059 572488492 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C[N@H+]1CCC[C@@H]2CC(=O)C[C@H]2C1 250600228 572490782 /nfs/dbraw/zinc/49/07/82/572490782.db2.gz JUZLJYKWZVZRNX-BDAKNGLRSA-N 1 1 167.252 1.307 10 0 ADAEMO CCOCc1nc(C[NH2+]C2CC2)c[nH]1 84065243 572490863 /nfs/dbraw/zinc/49/08/63/572490863.db2.gz RBRZTXYGWPEUQQ-UHFFFAOYSA-N 1 1 195.266 1.198 10 0 ADAEMO [NH3+][C@@H](c1ccno1)[C@H](O)c1ccco1 74247143 572490930 /nfs/dbraw/zinc/49/09/30/572490930.db2.gz MVXDQNAQXKKDIL-DTWKUNHWSA-N 1 1 194.190 1.001 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@@H](N)c2ccc[nH]2)C1 250606328 572491108 /nfs/dbraw/zinc/49/11/08/572491108.db2.gz LJFIRAMOYHUTQF-MWLCHTKSSA-N 1 1 193.294 1.356 10 0 ADAEMO Cc1cnoc1-c1noc([C@@H](C)[NH3+])n1 74247062 572491116 /nfs/dbraw/zinc/49/11/16/572491116.db2.gz QVNYPROPUUQDEY-RXMQYKEDSA-N 1 1 194.194 1.053 10 0 ADAEMO CN1CCC[C@@H]([C@@H]([NH3+])c2ccc[nH]2)C1 250606328 572491122 /nfs/dbraw/zinc/49/11/22/572491122.db2.gz LJFIRAMOYHUTQF-MWLCHTKSSA-N 1 1 193.294 1.356 10 0 ADAEMO Cc1ncoc1-c1noc([C@@H](C)[NH3+])n1 74247101 572491136 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250606325 572491838 /nfs/dbraw/zinc/49/18/38/572491838.db2.gz LJFIRAMOYHUTQF-GXSJLCMTSA-N 1 1 193.294 1.356 10 0 ADAEMO [NH3+][C@H](c1ccno1)[C@@H](O)c1ccco1 74247140 572491887 /nfs/dbraw/zinc/49/18/87/572491887.db2.gz MVXDQNAQXKKDIL-BDAKNGLRSA-N 1 1 194.190 1.001 10 0 ADAEMO [NH3+][C@@H](c1ccno1)[C@@H](O)c1ccco1 74247142 572491906 /nfs/dbraw/zinc/49/19/06/572491906.db2.gz MVXDQNAQXKKDIL-IUCAKERBSA-N 1 1 194.190 1.001 10 0 ADAEMO CC[C@@H]([NH3+])c1nc(-c2ncco2)no1 74247067 572491932 /nfs/dbraw/zinc/49/19/32/572491932.db2.gz KSDMIGWOJLVGKP-RXMQYKEDSA-N 1 1 194.194 1.134 10 0 ADAEMO C[N@H+]1CCCC[C@H]1[C@@H](N)c1ccco1 250597347 572491989 /nfs/dbraw/zinc/49/19/89/572491989.db2.gz JBHZQJKQACFNNF-GXSJLCMTSA-N 1 1 194.278 1.764 10 0 ADAEMO Cc1conc1-c1noc([C@@H](C)[NH3+])n1 74247068 572492053 /nfs/dbraw/zinc/49/20/53/572492053.db2.gz WPZKDGNVKIPPMP-RXMQYKEDSA-N 1 1 194.194 1.053 10 0 ADAEMO Cc1coc(-c2noc([C@@H](C)[NH3+])n2)n1 74247111 572492072 /nfs/dbraw/zinc/49/20/72/572492072.db2.gz LDJXLKJFJWJUJP-RXMQYKEDSA-N 1 1 194.194 1.053 10 0 ADAEMO Cc1cc(-c2noc([C@H](C)[NH3+])n2)on1 74247104 572492099 /nfs/dbraw/zinc/49/20/99/572492099.db2.gz IHWGRXXKXVMVMB-YFKPBYRVSA-N 1 1 194.194 1.053 10 0 ADAEMO Cc1oncc1-c1noc([C@@H](C)[NH3+])n1 74247096 572492105 /nfs/dbraw/zinc/49/21/05/572492105.db2.gz VDRBEUBYYUZIBJ-SCSAIBSYSA-N 1 1 194.194 1.053 10 0 ADAEMO C[N@@H+]1C[C@H](N)C[C@H]1CC1CCCCC1 250597811 572492110 /nfs/dbraw/zinc/49/21/10/572492110.db2.gz JDKKEZJKRFAOHG-VXGBXAGGSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@H+]1C[C@H](N)C[C@H]1CC1CCCCC1 250597811 572492112 /nfs/dbraw/zinc/49/21/12/572492112.db2.gz JDKKEZJKRFAOHG-VXGBXAGGSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@@H+]1[C@H](CN)CC[C@H]1c1ccccc1 250609557 572492185 /nfs/dbraw/zinc/49/21/85/572492185.db2.gz MHAFWBOSIHNRTD-RYUDHWBXSA-N 1 1 190.290 1.781 10 0 ADAEMO C[N@H+]1[C@H](CN)CC[C@H]1c1ccccc1 250609557 572492189 /nfs/dbraw/zinc/49/21/89/572492189.db2.gz MHAFWBOSIHNRTD-RYUDHWBXSA-N 1 1 190.290 1.781 10 0 ADAEMO CC[C@H]([NH3+])c1nc(-c2ncco2)no1 74247066 572492240 /nfs/dbraw/zinc/49/22/40/572492240.db2.gz KSDMIGWOJLVGKP-YFKPBYRVSA-N 1 1 194.194 1.134 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1[C@@H](N)c1ccco1 250597349 572492327 /nfs/dbraw/zinc/49/23/27/572492327.db2.gz JBHZQJKQACFNNF-MWLCHTKSSA-N 1 1 194.278 1.764 10 0 ADAEMO [NH3+][C@H](c1ccco1)[C@H](O)c1cnoc1 74247145 572492534 /nfs/dbraw/zinc/49/25/34/572492534.db2.gz HXQBEQLNDWPHDY-RKDXNWHRSA-N 1 1 194.190 1.001 10 0 ADAEMO [NH3+][C@@H](c1ccco1)[C@@H](O)c1cnoc1 74247146 572492829 /nfs/dbraw/zinc/49/28/29/572492829.db2.gz HXQBEQLNDWPHDY-IUCAKERBSA-N 1 1 194.190 1.001 10 0 ADAEMO C[N@@H+]1CC[C@H](N)[C@H]1CC1CCCC1 250597287 572492616 /nfs/dbraw/zinc/49/26/16/572492616.db2.gz JACYJTUPFBHVLQ-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CC[C@H](N)[C@H]1CC1CCCC1 250597287 572492619 /nfs/dbraw/zinc/49/26/19/572492619.db2.gz JACYJTUPFBHVLQ-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO Cc1cc(-c2noc([C@@H](C)[NH3+])n2)on1 74247103 572492645 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1 194.194 1.053 10 0 ADAEMO CN1CCC[C@H]([C@@H]([NH3+])c2cc[nH]c2)C1 250605160 572492986 /nfs/dbraw/zinc/49/29/86/572492986.db2.gz LAXQMKLIHIFJEW-QWRGUYRKSA-N 1 1 193.294 1.356 10 0 ADAEMO C[N@@H+]1CCC[C@H]([C@@H](N)c2cc[nH]c2)C1 250605160 572492988 /nfs/dbraw/zinc/49/29/88/572492988.db2.gz LAXQMKLIHIFJEW-QWRGUYRKSA-N 1 1 193.294 1.356 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H](N)c2cc[nH]c2)C1 250605160 572492992 /nfs/dbraw/zinc/49/29/92/572492992.db2.gz LAXQMKLIHIFJEW-QWRGUYRKSA-N 1 1 193.294 1.356 10 0 ADAEMO Cc1nocc1-c1noc([C@H](C)[NH3+])n1 74247073 572493000 /nfs/dbraw/zinc/49/30/00/572493000.db2.gz UOLDFXHNASJERF-BYPYZUCNSA-N 1 1 194.194 1.053 10 0 ADAEMO [NH3+][C@@H](c1cocn1)[C@@H](O)c1ccco1 74247138 572493015 /nfs/dbraw/zinc/49/30/15/572493015.db2.gz OYEJUYVTWSFDFQ-IUCAKERBSA-N 1 1 194.190 1.001 10 0 ADAEMO [NH3+][C@H](c1cocn1)[C@H](O)c1ccco1 74247137 572493110 /nfs/dbraw/zinc/49/31/10/572493110.db2.gz OYEJUYVTWSFDFQ-RKDXNWHRSA-N 1 1 194.190 1.001 10 0 ADAEMO Cc1oncc1-c1noc([C@H](C)[NH3+])n1 74247097 572493133 /nfs/dbraw/zinc/49/31/33/572493133.db2.gz VDRBEUBYYUZIBJ-BYPYZUCNSA-N 1 1 194.194 1.053 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@H](C[C@H](C)CO)C1 250608513 572493148 /nfs/dbraw/zinc/49/31/48/572493148.db2.gz XVTCTQJTPGAPFY-RYUDHWBXSA-N 1 1 199.338 1.983 10 0 ADAEMO C[N@H+]1[C@H](c2ccccc2)CC[C@@H]1CN 250609555 572493223 /nfs/dbraw/zinc/49/32/23/572493223.db2.gz MHAFWBOSIHNRTD-NEPJUHHUSA-N 1 1 190.290 1.781 10 0 ADAEMO C[N@@H+]1[C@H](c2ccccc2)CC[C@@H]1CN 250609555 572493230 /nfs/dbraw/zinc/49/32/30/572493230.db2.gz MHAFWBOSIHNRTD-NEPJUHHUSA-N 1 1 190.290 1.781 10 0 ADAEMO C[N@H+]1CCC[C@H]2CC(=O)C[C@H]2C1 250600231 572493332 /nfs/dbraw/zinc/49/33/32/572493332.db2.gz JUZLJYKWZVZRNX-IUCAKERBSA-N 1 1 167.252 1.307 10 0 ADAEMO C=Cc1nnc([C@H]([NH3+])[C@H](C)CC)o1 238268966 572493335 /nfs/dbraw/zinc/49/33/35/572493335.db2.gz UGQSXDDRULPXFN-HTRCEHHLSA-N 1 1 181.239 1.759 10 0 ADAEMO Cc1ncoc1-c1oc(C[NH3+])nc1C 74248612 572493388 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1.277 10 0 ADAEMO Cc1cc(-c2oc(C[NH3+])nc2C)no1 74248615 572493656 /nfs/dbraw/zinc/49/36/56/572493656.db2.gz CVGAANCKGWSHJV-UHFFFAOYSA-N 1 1 193.206 1.405 10 0 ADAEMO Cc1coc(-c2cnc([C@@H](C)[NH3+])o2)n1 74248631 572493846 /nfs/dbraw/zinc/49/38/46/572493846.db2.gz RTZYCMGUDNUSON-ZCFIWIBFSA-N 1 1 193.206 1.658 10 0 ADAEMO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CC=CCC1 84067334 572494074 /nfs/dbraw/zinc/49/40/74/572494074.db2.gz HTFYVELQTKCSSL-NXEZZACHSA-N 1 1 197.278 1.636 10 0 ADAEMO CCc1nnc([C@H]([NH3+])[C@H](C)CC)o1 238269010 572494037 /nfs/dbraw/zinc/49/40/37/572494037.db2.gz QNWKPRCUUCJEBD-HTRCEHHLSA-N 1 1 183.255 1.678 10 0 ADAEMO C[N@H+]1CCC[C@@]2(CC1)C[C@H]2CCCO 250602090 572494145 /nfs/dbraw/zinc/49/41/45/572494145.db2.gz KIXQPSVMWKULRS-VXGBXAGGSA-N 1 1 197.322 1.881 10 0 ADAEMO COC(=O)[C@@H](C)[NH2+][C@@H]1CC=CCC1 84067536 572494182 /nfs/dbraw/zinc/49/41/82/572494182.db2.gz VEKDQSWOPCRSOT-RKDXNWHRSA-N 1 1 183.251 1.246 10 0 ADAEMO CC(C)C[N@H+]1CC[C@H](N)[C@H]1C1CC1 250598158 572494263 /nfs/dbraw/zinc/49/42/63/572494263.db2.gz PGXIPXIKSGSRIV-WDEREUQCSA-N 1 1 182.311 1.454 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@H](N)[C@H]1C1CC1 250598153 572494313 /nfs/dbraw/zinc/49/43/13/572494313.db2.gz PGXIPXIKSGSRIV-GHMZBOCLSA-N 1 1 182.311 1.454 10 0 ADAEMO CN1CCC[C@@H]([C@@H]([NH3+])c2cc[nH]c2)C1 250605156 572494350 /nfs/dbraw/zinc/49/43/50/572494350.db2.gz LAXQMKLIHIFJEW-MNOVXSKESA-N 1 1 193.294 1.356 10 0 ADAEMO C[N@@H+]1CCC[C@@H]([C@@H](N)c2cc[nH]c2)C1 250605156 572494352 /nfs/dbraw/zinc/49/43/52/572494352.db2.gz LAXQMKLIHIFJEW-MNOVXSKESA-N 1 1 193.294 1.356 10 0 ADAEMO CCC[C@H](C)C[NH2+]Cc1c[nH]cn1 84080884 572494354 /nfs/dbraw/zinc/49/43/54/572494354.db2.gz KHHNVCAEPJAOBU-VIFPVBQESA-N 1 1 181.283 1.936 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@@H](N)c2cc[nH]c2)C1 250605156 572494355 /nfs/dbraw/zinc/49/43/55/572494355.db2.gz LAXQMKLIHIFJEW-MNOVXSKESA-N 1 1 193.294 1.356 10 0 ADAEMO CCc1[nH]nc([C@@H]2CCC[C@H]2[NH3+])c1C 74247500 572494544 /nfs/dbraw/zinc/49/45/44/572494544.db2.gz 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1 1 188.274 1.246 10 0 ADAEMO [NH3+][C@H]1CCC[C@H]1c1nc2oncc2[nH]1 74269895 572524030 /nfs/dbraw/zinc/52/40/30/572524030.db2.gz XQFZQQOUEXTNAG-RITPCOANSA-N 1 1 192.222 1.146 10 0 ADAEMO C[N@H+]1CCCCC[C@@H]1[C@H](CO)C1CC1 250660176 572524044 /nfs/dbraw/zinc/52/40/44/572524044.db2.gz YOSRNUJNKUWBOE-VXGBXAGGSA-N 1 1 197.322 1.879 10 0 ADAEMO [NH3+][C@H]1CCC[C@@H]1c1nc2oncc2[nH]1 74269896 572524046 /nfs/dbraw/zinc/52/40/46/572524046.db2.gz XQFZQQOUEXTNAG-WDSKDSINSA-N 1 1 192.222 1.146 10 0 ADAEMO Cc1[nH]ncc1CNC(=[NH2+])C1CC1 62993790 572524126 /nfs/dbraw/zinc/52/41/26/572524126.db2.gz LAWXVMRHFAFHIQ-UHFFFAOYSA-N 1 1 178.239 1.195 10 0 ADAEMO CCn1ccnc1NC(C)(C)C[NH3+] 63020922 572524159 /nfs/dbraw/zinc/52/41/59/572524159.db2.gz BTZSMMGDAILDHR-UHFFFAOYSA-N 1 1 182.271 1.052 10 0 ADAEMO [NH2+]=C(N[C@@H]1CCN2CCC[C@@H]12)C1CC1 62992615 572524190 /nfs/dbraw/zinc/52/41/90/572524190.db2.gz AEEWRXSVWUTRBL-ZJUUUORDSA-N 1 1 193.294 1.200 10 0 ADAEMO CCOC(=O)c1oc([C@@H](C)[NH3+])nc1C 238287363 572524211 /nfs/dbraw/zinc/52/42/11/572524211.db2.gz FPRROMGKAODOOB-RXMQYKEDSA-N 1 1 198.222 1.179 10 0 ADAEMO CN1CCC[C@@H]([NH3+])[C@H]1CC1CC1 250666496 572524222 /nfs/dbraw/zinc/52/42/22/572524222.db2.gz ZWINYVGYTGHNGD-NXEZZACHSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@@H+]1CCC[C@@H](N)[C@H]1CC1CC1 250666496 572524225 /nfs/dbraw/zinc/52/42/25/572524225.db2.gz ZWINYVGYTGHNGD-NXEZZACHSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@H+]1CCC[C@@H](N)[C@H]1CC1CC1 250666496 572524227 /nfs/dbraw/zinc/52/42/27/572524227.db2.gz ZWINYVGYTGHNGD-NXEZZACHSA-N 1 1 168.284 1.208 10 0 ADAEMO CC(C)CNC(=[NH2+])c1cnccn1 62994991 572524322 /nfs/dbraw/zinc/52/43/22/572524322.db2.gz MFXBAYZUJLNYEH-UHFFFAOYSA-N 1 1 178.239 1.048 10 0 ADAEMO CCCCc1nnc2n1CC[NH2+][C@H]2C 53710397 572524512 /nfs/dbraw/zinc/52/45/12/572524512.db2.gz AKIOLWTYLIUMCL-QMMMGPOBSA-N 1 1 194.282 1.285 10 0 ADAEMO C[N@@H+]1CCC[C@H]1[C@@H](N)c1cccnc1 250662212 572524460 /nfs/dbraw/zinc/52/44/60/572524460.db2.gz YZBGKZSIJUDYLI-QWRGUYRKSA-N 1 1 191.278 1.176 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](N)c1cccnc1 250662212 572524464 /nfs/dbraw/zinc/52/44/64/572524464.db2.gz YZBGKZSIJUDYLI-QWRGUYRKSA-N 1 1 191.278 1.176 10 0 ADAEMO Cc1[nH]c2cnccc2c1C(=O)C[NH3+] 74276227 572524470 /nfs/dbraw/zinc/52/44/70/572524470.db2.gz IGEGAHZXHKPTLM-UHFFFAOYSA-N 1 1 189.218 1.013 10 0 ADAEMO CC(C)C(=[NH2+])N1CC[C@@H](N(C)C)C1 62994413 572524481 /nfs/dbraw/zinc/52/44/81/572524481.db2.gz CWEFBEASORMUCE-SECBINFHSA-N 1 1 183.299 1.256 10 0 ADAEMO [NH2+]=C(N[C@@H]1CCN2CCC[C@H]12)C1CC1 62992614 572525399 /nfs/dbraw/zinc/52/53/99/572525399.db2.gz AEEWRXSVWUTRBL-NXEZZACHSA-N 1 1 193.294 1.200 10 0 ADAEMO Cc1ncc(C[C@H]([NH3+])CC(C)C)n1C 689737302 572524612 /nfs/dbraw/zinc/52/46/12/572524612.db2.gz NATVCVCUQAHUMZ-SNVBAGLBSA-N 1 1 195.310 1.644 10 0 ADAEMO [NH3+][C@@H](Cc1ccccn1)c1ncco1 74276310 572524731 /nfs/dbraw/zinc/52/47/31/572524731.db2.gz JPHPTQCKBWNKHZ-VIFPVBQESA-N 1 1 189.218 1.312 10 0 ADAEMO C[N@H+]1CCC[C@@H]2CCC[C@H](O)C[C@@H]21 250654908 572524777 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197.322 1.737 10 0 ADAEMO Cc1[nH]c(C)c(-c2cnncc2N)[nH+]1 74275859 572525042 /nfs/dbraw/zinc/52/50/42/572525042.db2.gz MYRFDTPPWVLVEJ-UHFFFAOYSA-N 1 1 189.222 1.066 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H](O)C2CCC2)CC1 250659943 572525079 /nfs/dbraw/zinc/52/50/79/572525079.db2.gz YNDCHCGOZUEILN-RYUDHWBXSA-N 1 1 197.322 1.879 10 0 ADAEMO C[N@H+]1CCCCC[C@H]1[C@H](CO)C1CC1 250660172 572525124 /nfs/dbraw/zinc/52/51/24/572525124.db2.gz YOSRNUJNKUWBOE-NEPJUHHUSA-N 1 1 197.322 1.879 10 0 ADAEMO CC/C=C/[C@H]1C[C@@]1([NH3+])C(=O)OCC 238287044 572525417 /nfs/dbraw/zinc/52/54/17/572525417.db2.gz NELXQBCBPGOSHO-ILNMFHDSSA-N 1 1 183.251 1.233 10 0 ADAEMO OC1C[NH+]([C@H]2CCc3ccccc32)C1 74275701 572525354 /nfs/dbraw/zinc/52/53/54/572525354.db2.gz HDAPELXEPYJEKF-LBPRGKRZSA-N 1 1 189.258 1.350 10 0 ADAEMO CC[C@H](C)c1nnc2n1CC[NH2+][C@H]2C 53710232 572525368 /nfs/dbraw/zinc/52/53/68/572525368.db2.gz JVBSBKYXJSAIDP-YUMQZZPRSA-N 1 1 194.282 1.456 10 0 ADAEMO CC(C)CNC(=[NH2+])c1ccco1 62994954 572525424 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189.218 1.119 10 0 ADAEMO [NH2+]=C(c1ccco1)N1CCCC1 62995345 572525691 /nfs/dbraw/zinc/52/56/91/572525691.db2.gz POSKDIHWRCULFT-UHFFFAOYSA-N 1 1 164.208 1.701 10 0 ADAEMO CCC(=[NH2+])N1CC[C@H](N(C)C)C1 62994408 572525948 /nfs/dbraw/zinc/52/59/48/572525948.db2.gz FLYCGLWSGARJFT-QMMMGPOBSA-N 1 1 169.272 1.010 10 0 ADAEMO CN(C)[C@H]1CCN(C(=[NH2+])C2CC2)C1 62994415 572526020 /nfs/dbraw/zinc/52/60/20/572526020.db2.gz TZOLIUFMTONVKY-VIFPVBQESA-N 1 1 181.283 1.010 10 0 ADAEMO Cc1n[nH]c(C)c1-n1cc(N)[nH+]c1C 74272305 572526131 /nfs/dbraw/zinc/52/61/31/572526131.db2.gz ZIEDLOTYRFODLZ-UHFFFAOYSA-N 1 1 191.238 1.103 10 0 ADAEMO C[N@H+]1CCC(C)(C)[C@@H]2CC(=O)C[C@H]2C1 250811785 572526182 /nfs/dbraw/zinc/52/61/82/572526182.db2.gz UVFWZTRSFQTKIU-GXSJLCMTSA-N 1 1 195.306 1.943 10 0 ADAEMO C[N@H+]1CC[C@H](NCc2ccoc2)C1 63047439 572526435 /nfs/dbraw/zinc/52/64/35/572526435.db2.gz RLCMYQGTLNETEO-JTQLQIEISA-N 1 1 180.251 1.073 10 0 ADAEMO Cc1[nH]n(C(C)C)c(=O)c1CCC[NH3+] 250843854 572526495 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189.218 1.756 10 0 ADAEMO [NH3+][C@H](Cc1ccncc1)c1ncco1 74276322 572527050 /nfs/dbraw/zinc/52/70/50/572527050.db2.gz IVRBAPUIFNPTEJ-SECBINFHSA-N 1 1 189.218 1.312 10 0 ADAEMO [NH3+][C@@H](Cc1ccncc1)c1ncco1 74276320 572527057 /nfs/dbraw/zinc/52/70/57/572527057.db2.gz IVRBAPUIFNPTEJ-VIFPVBQESA-N 1 1 189.218 1.312 10 0 ADAEMO [NH3+]Cc1ncc(Cc2ccncc2)o1 74276138 572527085 /nfs/dbraw/zinc/52/70/85/572527085.db2.gz ONSNSOONHKUYLB-UHFFFAOYSA-N 1 1 189.218 1.119 10 0 ADAEMO C[C@@H]([NH3+])c1ncc(-c2ccncc2)o1 74276106 572527183 /nfs/dbraw/zinc/52/71/83/572527183.db2.gz XOOQRRPCMDDWJV-SSDOTTSWSA-N 1 1 189.218 1.756 10 0 ADAEMO Cc1cc(-c2ncc([C@@H](C)[NH3+])[nH]2)n[nH]1 74272274 572527245 /nfs/dbraw/zinc/52/72/45/572527245.db2.gz WNVBFNOLPXFGLS-ZCFIWIBFSA-N 1 1 191.238 1.128 10 0 ADAEMO [NH3+]C[C@H]1CCN(Cc2ccoc2)C1 63048086 572527269 /nfs/dbraw/zinc/52/72/69/572527269.db2.gz VCCHVQHRNAMGAP-SECBINFHSA-N 1 1 180.251 1.060 10 0 ADAEMO Cc1cc2ccoc2cc1C(=O)C[NH3+] 74276392 572527289 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74272782 572528884 /nfs/dbraw/zinc/52/88/84/572528884.db2.gz WOKLSUVFJBXFHB-VIFPVBQESA-N 1 1 191.234 1.554 10 0 ADAEMO OC[C@H]1CCC[C@H]1C[NH2+]CC(F)F 84315991 572528920 /nfs/dbraw/zinc/52/89/20/572528920.db2.gz QGMJQMZIUMOZQZ-JGVFFNPUSA-N 1 1 193.237 1.250 10 0 ADAEMO Cc1cc([C@@H]([NH3+])Cc2ccco2)n[nH]1 74272781 572529142 /nfs/dbraw/zinc/52/91/42/572529142.db2.gz ANIZNUATMVIBLB-VIFPVBQESA-N 1 1 191.234 1.554 10 0 ADAEMO CC(C)(C)[C@@H]([NH3+])C(=O)OC1CC1 713277007 572529159 /nfs/dbraw/zinc/52/91/59/572529159.db2.gz OWRRLWIHAKMANI-ZETCQYMHSA-N 1 1 171.240 1.065 10 0 ADAEMO [NH3+]CCCc1c[nH]n(C2CCC2)c1=O 250763032 572529421 /nfs/dbraw/zinc/52/94/21/572529421.db2.gz VLWLKBRFDGTVBZ-UHFFFAOYSA-N 1 1 195.266 1.205 10 0 ADAEMO C1CC[N@H+]2C[C@@H]([NH2+]C3CC3)C[C@H]2C1 250881315 572529551 /nfs/dbraw/zinc/52/95/51/572529551.db2.gz VLJGFGHWEZANEY-WDEREUQCSA-N 1 1 180.295 1.365 10 0 ADAEMO C1CC[N@@H+]2C[C@@H](NC3CC3)C[C@H]2C1 250881315 572529553 /nfs/dbraw/zinc/52/95/53/572529553.db2.gz 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87565600 572568648 /nfs/dbraw/zinc/56/86/48/572568648.db2.gz CZWSJWOSJOSOMT-WPXGONGXSA-N 1 1 192.262 1.359 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(C2C[C@@H]3C[C@@H]3C2)o1 87566037 572568691 /nfs/dbraw/zinc/56/86/91/572568691.db2.gz FEOPJHBBBXNLOZ-HBFKVTOISA-N 1 1 193.250 1.603 10 0 ADAEMO c1cc2c[nH]cc([C@H]3CCC[NH2+]3)c-2n1 713727331 572568837 /nfs/dbraw/zinc/56/88/37/572568837.db2.gz DGVSMCQTUDKLAB-SNVBAGLBSA-N 1 1 187.246 1.987 10 0 ADAEMO C1=C[C@H]2CCCC[N@H+]2C1 39593698 572568932 /nfs/dbraw/zinc/56/89/32/572568932.db2.gz ZWZQSLQJKCKOIM-MRVPVSSYSA-N 1 1 123.199 1.411 10 0 ADAEMO C[C@H]([NH3+])Cc1ccc2nc[nH]c2c1 45821057 572568939 /nfs/dbraw/zinc/56/89/39/572568939.db2.gz GHVYFIHTVCDPST-ZETCQYMHSA-N 1 1 175.235 1.453 10 0 ADAEMO O[C@H](Cc1[nH]cc[nH+]1)C1C[C@@H]2C[C@@H]2C1 87565603 572568951 /nfs/dbraw/zinc/56/89/51/572568951.db2.gz CZWSJWOSJOSOMT-URJDPWSZSA-N 1 1 192.262 1.359 10 0 ADAEMO CNC(C)(C)C[NH2+][C@@H]1CCSC1 308065353 572569067 /nfs/dbraw/zinc/56/90/67/572569067.db2.gz 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Cc1[nH]c2ccc(O)c(N)c2[nH+]1 45821054 572570400 /nfs/dbraw/zinc/57/04/00/572570400.db2.gz CPXWOVXGUCRRJC-UHFFFAOYSA-N 1 1 163.180 1.159 10 0 ADAEMO CCC[NH2+]Cc1nc(C2(C)CC2)no1 87548289 572570516 /nfs/dbraw/zinc/57/05/16/572570516.db2.gz QLFOERIAZQBDHD-UHFFFAOYSA-N 1 1 195.266 1.621 10 0 ADAEMO CCC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1 251394659 572570524 /nfs/dbraw/zinc/57/05/24/572570524.db2.gz USEPQRBHSJJXHR-MNOVXSKESA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@@H]1C[N@H+]2CCCC[C@H]2CN1 251394659 572570526 /nfs/dbraw/zinc/57/05/26/572570526.db2.gz USEPQRBHSJJXHR-MNOVXSKESA-N 1 1 182.311 1.613 10 0 ADAEMO CCN(CC)C(=[NH2+])c1cncs1 87575328 572570531 /nfs/dbraw/zinc/57/05/31/572570531.db2.gz PIKOYZMTVPWPPC-UHFFFAOYSA-N 1 1 183.280 1.810 10 0 ADAEMO CC(C)[C@H]1CNC[N@@H+]2CCCC[C@@H]12 251423718 572570610 /nfs/dbraw/zinc/57/06/10/572570610.db2.gz QLQZCZLBVXXINH-MNOVXSKESA-N 1 1 182.311 1.674 10 0 ADAEMO CC(C)[C@H]1CNC[N@H+]2CCCC[C@@H]12 251423718 572570614 /nfs/dbraw/zinc/57/06/14/572570614.db2.gz QLQZCZLBVXXINH-MNOVXSKESA-N 1 1 182.311 1.674 10 0 ADAEMO CCc1onc(C[NH2+]CCOC)c1C 87547492 572570639 /nfs/dbraw/zinc/57/06/39/572570639.db2.gz KTLDSYHKODNJIG-UHFFFAOYSA-N 1 1 198.266 1.281 10 0 ADAEMO CC[NH2+]Cc1nc(C2(C)CC2)no1 87548407 572570764 /nfs/dbraw/zinc/57/07/64/572570764.db2.gz HUEIWAXYOYYARO-UHFFFAOYSA-N 1 1 181.239 1.231 10 0 ADAEMO CC[N@@H+](C)C[C@H]1C[C@H](C)CCC1=O 53926274 572570811 /nfs/dbraw/zinc/57/08/11/572570811.db2.gz ZJVCCEGAJYYVIH-NXEZZACHSA-N 1 1 183.295 1.943 10 0 ADAEMO CC1(c2noc(C[NH2+]C3CC3)n2)CC1 87548347 572570854 /nfs/dbraw/zinc/57/08/54/572570854.db2.gz WRFXTQGDOFGHAN-UHFFFAOYSA-N 1 1 193.250 1.373 10 0 ADAEMO CCn1cc[nH+]c1C[C@H](O)C1(C)CC1 87550191 572570960 /nfs/dbraw/zinc/57/09/60/572570960.db2.gz RTEISEKSYJYDQJ-VIFPVBQESA-N 1 1 194.278 1.607 10 0 ADAEMO CC(C)[C@H]1CNCC[N@H+]2CCC[C@@H]12 251386769 572570986 /nfs/dbraw/zinc/57/09/86/572570986.db2.gz IVWOYOHYGBQWRE-MNOVXSKESA-N 1 1 182.311 1.326 10 0 ADAEMO CC[C@@H]([NH2+]C)c1nc(C2(C)CC2)no1 87548423 572571192 /nfs/dbraw/zinc/57/11/92/572571192.db2.gz YLAQPOHIKOEDCW-SSDOTTSWSA-N 1 1 195.266 1.792 10 0 ADAEMO C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 53884663 572571223 /nfs/dbraw/zinc/57/12/23/572571223.db2.gz MHDVBMYWEFYNSU-WOPDTQHZSA-N 1 1 197.322 1.879 10 0 ADAEMO CC(C)CC[C@H]1CN(C)CC[C@H]1[NH3+] 251421199 572571509 /nfs/dbraw/zinc/57/15/09/572571509.db2.gz PXQLWIUMKZGJPN-WDEREUQCSA-N 1 1 184.327 1.702 10 0 ADAEMO CC1(c2cc(C[NH2+]C3CC3)no2)CC1 87547366 572571716 /nfs/dbraw/zinc/57/17/16/572571716.db2.gz DYJQRESSTVSSJK-UHFFFAOYSA-N 1 1 192.262 1.978 10 0 ADAEMO C[NH2+]C1(C(=O)OC2CC2)CCCCC1 713287912 572571787 /nfs/dbraw/zinc/57/17/87/572571787.db2.gz RCKITSUUIZSWIU-UHFFFAOYSA-N 1 1 197.278 1.614 10 0 ADAEMO C[C@H]1C[N@@H+](C[C@@H]2CCCC2=O)CCO1 53925262 572571902 /nfs/dbraw/zinc/57/19/02/572571902.db2.gz UUESFYKLARSDRM-UWVGGRQHSA-N 1 1 197.278 1.076 10 0 ADAEMO CC[N@@H+](C)C[C@@H]1C[C@H](C)CCC1=O 53926272 572571968 /nfs/dbraw/zinc/57/19/68/572571968.db2.gz ZJVCCEGAJYYVIH-ZJUUUORDSA-N 1 1 183.295 1.943 10 0 ADAEMO C[C@H]1COCC[N@H+]1C[C@@H]1CCCC1=O 53926981 572572416 /nfs/dbraw/zinc/57/24/16/572572416.db2.gz ARFWOXMNEOXNIT-UWVGGRQHSA-N 1 1 197.278 1.076 10 0 ADAEMO C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H]2O)C1 53884698 572572468 /nfs/dbraw/zinc/57/24/68/572572468.db2.gz IAQJZVXBGACMAP-VWYCJHECSA-N 1 1 183.295 1.489 10 0 ADAEMO CCC[C@H]([NH3+])c1nc(C2(C)CC2)no1 87548475 572572478 /nfs/dbraw/zinc/57/24/78/572572478.db2.gz CWBWDUQJILBFQN-ZETCQYMHSA-N 1 1 195.266 1.921 10 0 ADAEMO CC(C)[C@@H]1CNCC[N@@H+]2CCC[C@@H]12 251386773 572572611 /nfs/dbraw/zinc/57/26/11/572572611.db2.gz IVWOYOHYGBQWRE-QWRGUYRKSA-N 1 1 182.311 1.326 10 0 ADAEMO CC(C)[C@@H]1CNCC[N@H+]2CCC[C@@H]12 251386773 572572614 /nfs/dbraw/zinc/57/26/14/572572614.db2.gz IVWOYOHYGBQWRE-QWRGUYRKSA-N 1 1 182.311 1.326 10 0 ADAEMO CC(C)[NH2+]Cc1nc(C2(C)CC2)no1 87548381 572572756 /nfs/dbraw/zinc/57/27/56/572572756.db2.gz VQUATLJNJSMLJN-UHFFFAOYSA-N 1 1 195.266 1.619 10 0 ADAEMO C[C@H]1CC[N@@H+](C[C@@H]2CCC[C@@H]2O)C1 53884700 572572768 /nfs/dbraw/zinc/57/27/68/572572768.db2.gz IAQJZVXBGACMAP-DCAQKATOSA-N 1 1 183.295 1.489 10 0 ADAEMO Cc1c[nH+]c(OC2CC2)cc1N 713290565 572573199 /nfs/dbraw/zinc/57/31/99/572573199.db2.gz HOKLNPUYJAPZOQ-UHFFFAOYSA-N 1 1 164.208 1.513 10 0 ADAEMO CC(C)[C@@H]1CNC[N@@H+]2CCCC[C@@H]12 251423719 572573237 /nfs/dbraw/zinc/57/32/37/572573237.db2.gz QLQZCZLBVXXINH-QWRGUYRKSA-N 1 1 182.311 1.674 10 0 ADAEMO CC(C)[C@@H]1CNC[N@H+]2CCCC[C@@H]12 251423719 572573240 /nfs/dbraw/zinc/57/32/40/572573240.db2.gz QLQZCZLBVXXINH-QWRGUYRKSA-N 1 1 182.311 1.674 10 0 ADAEMO CCC[C@@H]([NH3+])c1nc(C2(C)CC2)no1 87548477 572573348 /nfs/dbraw/zinc/57/33/48/572573348.db2.gz CWBWDUQJILBFQN-SSDOTTSWSA-N 1 1 195.266 1.921 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H](O)C1(C)CC1 87550193 572573359 /nfs/dbraw/zinc/57/33/59/572573359.db2.gz RTEISEKSYJYDQJ-SECBINFHSA-N 1 1 194.278 1.607 10 0 ADAEMO CC[C@H]([NH2+]C)c1nc(C2(C)CC2)no1 87548421 572573750 /nfs/dbraw/zinc/57/37/50/572573750.db2.gz YLAQPOHIKOEDCW-ZETCQYMHSA-N 1 1 195.266 1.792 10 0 ADAEMO C[C@@H]1COCC[N@H+]1C[C@@H]1CCCC1=O 53926979 572573758 /nfs/dbraw/zinc/57/37/58/572573758.db2.gz ARFWOXMNEOXNIT-ZJUUUORDSA-N 1 1 197.278 1.076 10 0 ADAEMO CCC[C@H]1C[N@@H+]2CCCC[C@H]2CN1 251394662 572573774 /nfs/dbraw/zinc/57/37/74/572573774.db2.gz USEPQRBHSJJXHR-QWRGUYRKSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@H]1C[N@H+]2CCCC[C@H]2CN1 251394662 572573777 /nfs/dbraw/zinc/57/37/77/572573777.db2.gz USEPQRBHSJJXHR-QWRGUYRKSA-N 1 1 182.311 1.613 10 0 ADAEMO COC(=O)[C@@]1(C)CCCC[N@H+]1C 207066728 572573818 /nfs/dbraw/zinc/57/38/18/572573818.db2.gz OMKRLAXSCIVJLF-SECBINFHSA-N 1 1 171.240 1.034 10 0 ADAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCCC2=O)CCO1 53925260 572573882 /nfs/dbraw/zinc/57/38/82/572573882.db2.gz UUESFYKLARSDRM-ZJUUUORDSA-N 1 1 197.278 1.076 10 0 ADAEMO CC(C)C[N@@H+](C)C[C@@H]1CCCC1=O 53926535 572573949 /nfs/dbraw/zinc/57/39/49/572573949.db2.gz VFYHPSBLDDFWRW-JTQLQIEISA-N 1 1 183.295 1.943 10 0 ADAEMO C[C@@H](CCC1CC1)[N@@H+](C)CCO 308065328 572574292 /nfs/dbraw/zinc/57/42/92/572574292.db2.gz YIXBAQPWZVQTMB-VIFPVBQESA-N 1 1 171.284 1.489 10 0 ADAEMO COCC1=CC[N@H+](CCF)CC1 308068806 572574301 /nfs/dbraw/zinc/57/43/01/572574301.db2.gz ADWXETMLOQJOFL-UHFFFAOYSA-N 1 1 173.231 1.234 10 0 ADAEMO COCC1=CC[N@@H+](CCF)CC1 308068806 572574302 /nfs/dbraw/zinc/57/43/02/572574302.db2.gz ADWXETMLOQJOFL-UHFFFAOYSA-N 1 1 173.231 1.234 10 0 ADAEMO OC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]2C[C@@H]21 251469265 572574309 /nfs/dbraw/zinc/57/43/09/572574309.db2.gz VRCVBMLHVCTPFY-NOOOWODRSA-N 1 1 195.306 1.632 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H](O)CC1CC1 87581438 572574343 /nfs/dbraw/zinc/57/43/43/572574343.db2.gz YMIWBIMLTXKVHH-JTQLQIEISA-N 1 1 194.278 1.607 10 0 ADAEMO CC[C@@H]1C[C@H](N)C[N@H+]([C@H](C)C2CC2)C1 251506284 572574391 /nfs/dbraw/zinc/57/43/91/572574391.db2.gz FCNDTTHPXZNCCK-FOGDFJRCSA-N 1 1 196.338 1.844 10 0 ADAEMO CC[C@@H]1C[C@H]([NH3+])CN([C@H](C)C2CC2)C1 251506284 572574392 /nfs/dbraw/zinc/57/43/92/572574392.db2.gz FCNDTTHPXZNCCK-FOGDFJRCSA-N 1 1 196.338 1.844 10 0 ADAEMO CC[N@@H+](CCN)[C@@H]1CCC1(C)C 308065253 572574479 /nfs/dbraw/zinc/57/44/79/572574479.db2.gz YHMBGDWSCQSPPD-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCN(CC[NH3+])[C@@H]1CCC1(C)C 308065253 572574482 /nfs/dbraw/zinc/57/44/82/572574482.db2.gz YHMBGDWSCQSPPD-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[NH2+][C@H](C)c1nc(C2(C)CC2)no1 87554226 572574615 /nfs/dbraw/zinc/57/46/15/572574615.db2.gz OSAUCJRPIPAOKU-SSDOTTSWSA-N 1 1 195.266 1.792 10 0 ADAEMO CC[NH2+][C@@H](C)c1nc(C2(C)CC2)no1 87554225 572574655 /nfs/dbraw/zinc/57/46/55/572574655.db2.gz OSAUCJRPIPAOKU-ZETCQYMHSA-N 1 1 195.266 1.792 10 0 ADAEMO Nc1[nH+]cccc1C[C@@H](O)CC1CC1 87581384 572574738 /nfs/dbraw/zinc/57/47/38/572574738.db2.gz BTDWVEAFDTVEQA-JTQLQIEISA-N 1 1 192.262 1.367 10 0 ADAEMO C1CCC([C@@H]2C[N@H+]3CCC[C@H]3CN2)C1 251468260 572574828 /nfs/dbraw/zinc/57/48/28/572574828.db2.gz VNUYRODEWDDKJQ-RYUDHWBXSA-N 1 1 194.322 1.613 10 0 ADAEMO OC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H]2C[C@H]21 251469261 572574991 /nfs/dbraw/zinc/57/49/91/572574991.db2.gz VRCVBMLHVCTPFY-NNYUYHANSA-N 1 1 195.306 1.632 10 0 ADAEMO CC[C@H](C)[C@H]([NH3+])[C@@H](O)c1cc(C)n[nH]1 251521922 572575118 /nfs/dbraw/zinc/57/51/18/572575118.db2.gz AFDSDAGFIYSYKT-JUWDTYFHSA-N 1 1 197.282 1.125 10 0 ADAEMO CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CCN1C1CC1 251504433 572575359 /nfs/dbraw/zinc/57/53/59/572575359.db2.gz DZBZTTJYXOICRM-YUSALJHKSA-N 1 1 194.322 1.469 10 0 ADAEMO O[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]3C[C@@H]32)C1 251466306 572575418 /nfs/dbraw/zinc/57/54/18/572575418.db2.gz VHGZWPCWALRCJW-WISYIIOYSA-N 1 1 195.306 1.632 10 0 ADAEMO Nc1cc(C[C@@H](O)CC2CC2)cc[nH+]1 87581484 572575419 /nfs/dbraw/zinc/57/54/19/572575419.db2.gz IWOSQIDGAJLFEC-JTQLQIEISA-N 1 1 192.262 1.367 10 0 ADAEMO CCC[NH2+]Cc1nc(CC2CC2)no1 87580089 572575530 /nfs/dbraw/zinc/57/55/30/572575530.db2.gz LNXDWCXDJHPQRJ-UHFFFAOYSA-N 1 1 195.266 1.522 10 0 ADAEMO O[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]3C[C@H]32)C1 251466302 572575550 /nfs/dbraw/zinc/57/55/50/572575550.db2.gz VHGZWPCWALRCJW-IRCOFANPSA-N 1 1 195.306 1.632 10 0 ADAEMO C[NH2+]CCCN1CC2CCC(CC2)C1 238336994 572575796 /nfs/dbraw/zinc/57/57/96/572575796.db2.gz XUNWIRXWJSSLAL-UHFFFAOYSA-N 1 1 196.338 1.718 10 0 ADAEMO CCC[NH2+]Cc1c[nH]c(C2(C)CC2)n1 87554075 572575812 /nfs/dbraw/zinc/57/58/12/572575812.db2.gz UCWUFYNRHBMYNK-UHFFFAOYSA-N 1 1 193.294 1.961 10 0 ADAEMO Nc1ccncc1C[C@@H]([NH3+])CC1CC1 87581883 572575828 /nfs/dbraw/zinc/57/58/28/572575828.db2.gz XARDPWNXCIPOOK-JTQLQIEISA-N 1 1 191.278 1.334 10 0 ADAEMO CC(C)[NH2+]Cc1c[nH]c(C2(C)CC2)n1 87554076 572575922 /nfs/dbraw/zinc/57/59/22/572575922.db2.gz ZHLHKGYDAAKGBA-UHFFFAOYSA-N 1 1 193.294 1.959 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H](O)CC1CC1 87581316 572575899 /nfs/dbraw/zinc/57/58/99/572575899.db2.gz SOQBRYHPSXBAPT-VIFPVBQESA-N 1 1 180.251 1.124 10 0 ADAEMO CC[NH2+]Cc1c[nH]c(C2(C)CC2)n1 87554074 572576063 /nfs/dbraw/zinc/57/60/63/572576063.db2.gz DSRYNAJTQSFXEA-UHFFFAOYSA-N 1 1 179.267 1.571 10 0 ADAEMO CC[C@H](C)[C@@H]([NH3+])[C@@H](O)c1cc(C)n[nH]1 251521933 572576178 /nfs/dbraw/zinc/57/61/78/572576178.db2.gz AFDSDAGFIYSYKT-QUNWWBBNSA-N 1 1 197.282 1.125 10 0 ADAEMO CC[N@@H+](CCN)[C@H]1CCC1(C)C 308065264 572576242 /nfs/dbraw/zinc/57/62/42/572576242.db2.gz YHMBGDWSCQSPPD-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO Nc1[nH+]cccc1C[C@H](O)CC1CC1 87581382 572576244 /nfs/dbraw/zinc/57/62/44/572576244.db2.gz BTDWVEAFDTVEQA-SNVBAGLBSA-N 1 1 192.262 1.367 10 0 ADAEMO CCN(CC[NH3+])[C@H]1CCC1(C)C 308065264 572576245 /nfs/dbraw/zinc/57/62/45/572576245.db2.gz YHMBGDWSCQSPPD-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CC[NH2+]Cc1c[nH]c(CC2CC2)n1 87583888 572578052 /nfs/dbraw/zinc/57/80/52/572578052.db2.gz PYILEIJNSHFSOZ-UHFFFAOYSA-N 1 1 179.267 1.472 10 0 ADAEMO CC[C@@H]1[C@H]2C[NH2+]C[C@H]2CCN1C1CC1 251504429 572576282 /nfs/dbraw/zinc/57/62/82/572576282.db2.gz DZBZTTJYXOICRM-ADEWGFFLSA-N 1 1 194.322 1.469 10 0 ADAEMO Nc1cc(C[C@H](O)CC2CC2)cc[nH+]1 87581483 572576329 /nfs/dbraw/zinc/57/63/29/572576329.db2.gz IWOSQIDGAJLFEC-SNVBAGLBSA-N 1 1 192.262 1.367 10 0 ADAEMO C1CCC([C@H]2C[N@H+]3CCC[C@H]3CN2)C1 251468258 572576398 /nfs/dbraw/zinc/57/63/98/572576398.db2.gz VNUYRODEWDDKJQ-NWDGAFQWSA-N 1 1 194.322 1.613 10 0 ADAEMO Nc1ccncc1C[C@H]([NH3+])CC1CC1 87581881 572576406 /nfs/dbraw/zinc/57/64/06/572576406.db2.gz XARDPWNXCIPOOK-SNVBAGLBSA-N 1 1 191.278 1.334 10 0 ADAEMO CC1(c2nc(C[NH2+]C3CC3)c[nH]2)CC1 87554078 572576439 /nfs/dbraw/zinc/57/64/39/572576439.db2.gz BKBZXPSKROCLKN-UHFFFAOYSA-N 1 1 191.278 1.713 10 0 ADAEMO CC[C@@H]1C[C@@H](N)C[N@H+]([C@H](C)C2CC2)C1 251506283 572576609 /nfs/dbraw/zinc/57/66/09/572576609.db2.gz FCNDTTHPXZNCCK-CKYFFXLPSA-N 1 1 196.338 1.844 10 0 ADAEMO CC[C@@H]1C[C@@H]([NH3+])CN([C@H](C)C2CC2)C1 251506283 572576614 /nfs/dbraw/zinc/57/66/14/572576614.db2.gz FCNDTTHPXZNCCK-CKYFFXLPSA-N 1 1 196.338 1.844 10 0 ADAEMO C[NH2+][C@H](C)c1nc(CC2CC2)no1 87580157 572576626 /nfs/dbraw/zinc/57/66/26/572576626.db2.gz ZVDGUXGRAROTRC-ZCFIWIBFSA-N 1 1 181.239 1.303 10 0 ADAEMO [NH3+][C@@H](c1nc(CC2CC2)no1)C1CC1 87580166 572576739 /nfs/dbraw/zinc/57/67/39/572576739.db2.gz CDFOETMYDVMXDF-SECBINFHSA-N 1 1 193.250 1.432 10 0 ADAEMO CCC[C@@H]([NH3+])c1nc(CC2CC2)no1 87580262 572576786 /nfs/dbraw/zinc/57/67/86/572576786.db2.gz JNFHOPYWHAVTGT-MRVPVSSYSA-N 1 1 195.266 1.822 10 0 ADAEMO Cn1cc[nH+]c1C[C@H](O)CC1CC1 87581314 572576805 /nfs/dbraw/zinc/57/68/05/572576805.db2.gz SOQBRYHPSXBAPT-SECBINFHSA-N 1 1 180.251 1.124 10 0 ADAEMO C[C@H](CCC1CC1)[N@@H+](C)CCO 308065324 572577283 /nfs/dbraw/zinc/57/72/83/572577283.db2.gz YIXBAQPWZVQTMB-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO CCn1cc[nH+]c1C[C@H](O)CC1CC1 87581436 572577431 /nfs/dbraw/zinc/57/74/31/572577431.db2.gz YMIWBIMLTXKVHH-SNVBAGLBSA-N 1 1 194.278 1.607 10 0 ADAEMO COC(C[C@@]1(C)NC=CC(C)=[NH+]1)OC 238340402 572577437 /nfs/dbraw/zinc/57/74/37/572577437.db2.gz ICUHTJXGWXYZEW-JTQLQIEISA-N 1 1 198.266 1.289 10 0 ADAEMO [NH3+][C@H](c1nc(CC2CC2)no1)C1CC1 87580169 572577584 /nfs/dbraw/zinc/57/75/84/572577584.db2.gz CDFOETMYDVMXDF-VIFPVBQESA-N 1 1 193.250 1.432 10 0 ADAEMO Cc1ccc([C@@H]2[C@@H](C[NH3+])CCN2C)o1 69796152 572580018 /nfs/dbraw/zinc/58/00/18/572580018.db2.gz UXPRDHBXABDEIN-KOLCDFICSA-N 1 1 194.278 1.540 10 0 ADAEMO CC1(C)CCC[N@H+]([C@H](CN)C2CC2)C1 69792983 572577712 /nfs/dbraw/zinc/57/77/12/572577712.db2.gz IQMBEGXGNYITLM-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO CC1(C)CCCN([C@H](C[NH3+])C2CC2)C1 69792983 572577714 /nfs/dbraw/zinc/57/77/14/572577714.db2.gz IQMBEGXGNYITLM-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)[NH2+]Cc1c[nH]c(CC2CC2)n1 87583892 572577822 /nfs/dbraw/zinc/57/78/22/572577822.db2.gz IHPNCQFUYFIVGZ-UHFFFAOYSA-N 1 1 193.294 1.860 10 0 ADAEMO C[N@H+](C1CC1)[C@@H](CN)C1CCC1 87584747 572577899 /nfs/dbraw/zinc/57/78/99/572577899.db2.gz BQRRSZITEBQWCR-JTQLQIEISA-N 1 1 168.284 1.208 10 0 ADAEMO CN(C1CC1)[C@@H](C[NH3+])C1CCC1 87584747 572577901 /nfs/dbraw/zinc/57/79/01/572577901.db2.gz BQRRSZITEBQWCR-JTQLQIEISA-N 1 1 168.284 1.208 10 0 ADAEMO CCN1CC[C@@H](C[NH3+])[C@@H]1c1ccco1 69797069 572577936 /nfs/dbraw/zinc/57/79/36/572577936.db2.gz KOZQTEBXTCBGMU-GXSJLCMTSA-N 1 1 194.278 1.621 10 0 ADAEMO C[C@@H]1Oc2sccc2C(=O)[C@H]1[NH3+] 74299383 572577939 /nfs/dbraw/zinc/57/79/39/572577939.db2.gz JDRBRNFDIIHWAK-NJGYIYPDSA-N 1 1 183.232 1.039 10 0 ADAEMO C[N@H+](C1CCCC1)[C@H](CN)C1CCC1 87584754 572578111 /nfs/dbraw/zinc/57/81/11/572578111.db2.gz ICAQENOWDGPGJN-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[N@H+](C1CC1)[C@@H](CN)C1CCC1 87584745 572578216 /nfs/dbraw/zinc/57/82/16/572578216.db2.gz NGWIXXZMCCZIJX-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO CCN(C1CC1)[C@@H](C[NH3+])C1CCC1 87584745 572578220 /nfs/dbraw/zinc/57/82/20/572578220.db2.gz NGWIXXZMCCZIJX-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)C[N@@H+](C)[C@@H](CN)C1CCC1 87584763 572578276 /nfs/dbraw/zinc/57/82/76/572578276.db2.gz PXTPMJZVCCWEKK-NSHDSACASA-N 1 1 184.327 1.702 10 0 ADAEMO c1nc(CCC[NH2+]CC2CCC2)n[nH]1 87584658 572578393 /nfs/dbraw/zinc/57/83/93/572578393.db2.gz NHBIDIXRKDZMGV-UHFFFAOYSA-N 1 1 194.282 1.127 10 0 ADAEMO C[C@@H]([NH3+])CC[N@H+]1CCCC(C)(C)C1 69793243 572580828 /nfs/dbraw/zinc/58/08/28/572580828.db2.gz NOSYESWELWEVLY-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CSCCC[N@@H+](C)[C@@H]1C[C@H]1CO 308069544 572578481 /nfs/dbraw/zinc/57/84/81/572578481.db2.gz AIIKDMNMOFNHTJ-DTWKUNHWSA-N 1 1 189.324 1.052 10 0 ADAEMO C[N@@H+](CC1CC1)[C@H](CN)C1CCC1 87584830 572578508 /nfs/dbraw/zinc/57/85/08/572578508.db2.gz QNVWWLPXAXCDGA-LLVKDONJSA-N 1 1 182.311 1.456 10 0 ADAEMO CC[N@@H+](C(C)C)[C@@H](CN)C1CCC1 87584749 572578584 /nfs/dbraw/zinc/57/85/84/572578584.db2.gz GVCPHQYJPGPLSD-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CC1(C)CCC[N@H+]([C@@H](CN)C2CC2)C1 69792981 572578585 /nfs/dbraw/zinc/57/85/85/572578585.db2.gz IQMBEGXGNYITLM-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO CC1(C)CCCN([C@@H](C[NH3+])C2CC2)C1 69792981 572578590 /nfs/dbraw/zinc/57/85/90/572578590.db2.gz IQMBEGXGNYITLM-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@H](N)C[N@@H+]1CCCC(C)(C)C1 69793262 572578600 /nfs/dbraw/zinc/57/86/00/572578600.db2.gz FJVSRQQYJNUTTJ-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H](N)C[N@H+]1CCCC(C)(C)C1 69793262 572578603 /nfs/dbraw/zinc/57/86/03/572578603.db2.gz FJVSRQQYJNUTTJ-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CCCC[N@@H+](C)[C@@H](CN)C1CCC1 87584732 572578621 /nfs/dbraw/zinc/57/86/21/572578621.db2.gz ANNHKFLYXSFJPZ-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+][C@H]1CSc2ccoc2C1=O 74299398 572578714 /nfs/dbraw/zinc/57/87/14/572578714.db2.gz GSXIKLXYYUREFP-YFKPBYRVSA-N 1 1 183.232 1.156 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H](CN)C1CCC1 87584707 572578753 /nfs/dbraw/zinc/57/87/53/572578753.db2.gz SCWZIMDBSRVMQU-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H](CN)C1CCC1 87584766 572578847 /nfs/dbraw/zinc/57/88/47/572578847.db2.gz DHRFRHMSHZXVJR-ONGXEEELSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@H]1CCC[N@H+]1[C@@H](CN)C1CCC1 87584827 572578862 /nfs/dbraw/zinc/57/88/62/572578862.db2.gz HIPXMSBUNLTBAG-NEPJUHHUSA-N 1 1 196.338 1.988 10 0 ADAEMO Cl/C=C/CNCC[NH+]1CCCC1 236013371 572578880 /nfs/dbraw/zinc/57/88/80/572578880.db2.gz CHKKCFLMYXZCGT-ONEGZZNKSA-N 1 1 188.702 1.424 10 0 ADAEMO CCC[N@H+](C1CC1)[C@H](CN)C1CCC1 87584760 572578888 /nfs/dbraw/zinc/57/88/88/572578888.db2.gz UMUKDDUALZSPCD-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H]1CCC[N@H+]1[C@@H](CN)C1CCC1 87584828 572578900 /nfs/dbraw/zinc/57/89/00/572578900.db2.gz HIPXMSBUNLTBAG-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@H+](C1CCCC1)[C@@H](CN)C1CCC1 87584753 572578906 /nfs/dbraw/zinc/57/89/06/572578906.db2.gz ICAQENOWDGPGJN-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1ccccc1[C@H]1[C@@H](N)CC[N@@H+]1C 69799038 572579117 /nfs/dbraw/zinc/57/91/17/572579117.db2.gz FSBPXGFAJBSVTH-RYUDHWBXSA-N 1 1 190.290 1.699 10 0 ADAEMO Cl/C=C/C[NH2+]Cc1ccncn1 236014686 572579159 /nfs/dbraw/zinc/57/91/59/572579159.db2.gz LBZZJJXMIDCTJS-HNQUOIGGSA-N 1 1 183.642 1.319 10 0 ADAEMO CC1(C)CCC[N@@H+](C[C@@H](O)C2CC2)C1 69793742 572579220 /nfs/dbraw/zinc/57/92/20/572579220.db2.gz BFKVRHMYEQTLEM-LLVKDONJSA-N 1 1 197.322 1.879 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)[C@@H](CN)C1CCC1 87584765 572579237 /nfs/dbraw/zinc/57/92/37/572579237.db2.gz DHRFRHMSHZXVJR-KOLCDFICSA-N 1 1 184.327 1.844 10 0 ADAEMO Cc1ccc([C@H]2[C@H](C[NH3+])CCN2C)o1 69796151 572579292 /nfs/dbraw/zinc/57/92/92/572579292.db2.gz UXPRDHBXABDEIN-GXSJLCMTSA-N 1 1 194.278 1.540 10 0 ADAEMO CCC[N@@H+](CC)[C@@H](CN)C1CCC1 87584755 572579348 /nfs/dbraw/zinc/57/93/48/572579348.db2.gz ILJHFUWRPTUHNO-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCN1CC[C@H](C[NH3+])[C@@H]1c1ccco1 69797068 572579467 /nfs/dbraw/zinc/57/94/67/572579467.db2.gz KOZQTEBXTCBGMU-MWLCHTKSSA-N 1 1 194.278 1.621 10 0 ADAEMO CSCCC[N@@H+](C)[C@H]1C[C@@H]1CO 308069543 572579567 /nfs/dbraw/zinc/57/95/67/572579567.db2.gz AIIKDMNMOFNHTJ-BDAKNGLRSA-N 1 1 189.324 1.052 10 0 ADAEMO CN(C)[C@H](CC[NH3+])Cc1ccco1 74300425 572579568 /nfs/dbraw/zinc/57/95/68/572579568.db2.gz AIRWRRHIHBBMEU-SECBINFHSA-N 1 1 182.267 1.101 10 0 ADAEMO C[C@H]([NH3+])CC[N@H+]1CCCC(C)(C)C1 69793241 572579578 /nfs/dbraw/zinc/57/95/78/572579578.db2.gz NOSYESWELWEVLY-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)[N@@H+](C)[C@H](CN)C1CCC1 87584708 572579595 /nfs/dbraw/zinc/57/95/95/572579595.db2.gz SCWZIMDBSRVMQU-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO C[N@H+](C1CC1)[C@H](CN)C1CCC1 87584748 572579662 /nfs/dbraw/zinc/57/96/62/572579662.db2.gz BQRRSZITEBQWCR-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CN(C1CC1)[C@H](C[NH3+])C1CCC1 87584748 572579669 /nfs/dbraw/zinc/57/96/69/572579669.db2.gz BQRRSZITEBQWCR-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CC(C)C[N@@H+](C)[C@H](CN)C1CCC1 87584764 572579718 /nfs/dbraw/zinc/57/97/18/572579718.db2.gz PXTPMJZVCCWEKK-LLVKDONJSA-N 1 1 184.327 1.702 10 0 ADAEMO Cc1[nH+]cc([C@@H](O)c2ccc[nH]2)n1C 689743684 572579791 /nfs/dbraw/zinc/57/97/91/572579791.db2.gz ILLBFJKYRSJAJQ-JTQLQIEISA-N 1 1 191.234 1.138 10 0 ADAEMO Cl/C=C/C[NH2+]Cc1cccnn1 236014665 572579860 /nfs/dbraw/zinc/57/98/60/572579860.db2.gz NGDYZTOBKAMFPA-DUXPYHPUSA-N 1 1 183.642 1.319 10 0 ADAEMO CC[N@H+](C1CC1)[C@H](CN)C1CCC1 87584746 572579975 /nfs/dbraw/zinc/57/99/75/572579975.db2.gz NGWIXXZMCCZIJX-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO CCN(C1CC1)[C@H](C[NH3+])C1CCC1 87584746 572579977 /nfs/dbraw/zinc/57/99/77/572579977.db2.gz NGWIXXZMCCZIJX-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO Cc1[nH+]cc([C@H](O)c2ccc[nH]2)n1C 689743685 572580035 /nfs/dbraw/zinc/58/00/35/572580035.db2.gz ILLBFJKYRSJAJQ-SNVBAGLBSA-N 1 1 191.234 1.138 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CN)C1CCC1 87584761 572580097 /nfs/dbraw/zinc/58/00/97/572580097.db2.gz JLSGRTKMVZVZBI-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CCCN(C)[C@@H](C[NH3+])C1CCC1 87584761 572580101 /nfs/dbraw/zinc/58/01/01/572580101.db2.gz JLSGRTKMVZVZBI-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO Cc1nc(C(=O)C(C)(C)[NH3+])oc1C 74300794 572580151 /nfs/dbraw/zinc/58/01/51/572580151.db2.gz MDTUINWJBZEAMJ-UHFFFAOYSA-N 1 1 182.223 1.211 10 0 ADAEMO Cc1ccccc1[C@@H]1[C@@H](N)CC[N@@H+]1C 69799036 572580300 /nfs/dbraw/zinc/58/03/00/572580300.db2.gz FSBPXGFAJBSVTH-NWDGAFQWSA-N 1 1 190.290 1.699 10 0 ADAEMO C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H](CN)C1CCC1 87585018 572584170 /nfs/dbraw/zinc/58/41/70/572584170.db2.gz GOMFTDNAVHXHFW-WCQGTBRESA-N 1 1 196.338 1.702 10 0 ADAEMO CSCCC[N@@H+](C)[C@@H]1C[C@@H]1CO 308069546 572580431 /nfs/dbraw/zinc/58/04/31/572580431.db2.gz AIIKDMNMOFNHTJ-RKDXNWHRSA-N 1 1 189.324 1.052 10 0 ADAEMO C[C@H]1Oc2sccc2C(=O)[C@@H]1[NH3+] 74299384 572580515 /nfs/dbraw/zinc/58/05/15/572580515.db2.gz JDRBRNFDIIHWAK-INEUFUBQSA-N 1 1 183.232 1.039 10 0 ADAEMO Cc1ccccc1[C@@H]1[C@H](N)CC[N@@H+]1C 69799033 572580543 /nfs/dbraw/zinc/58/05/43/572580543.db2.gz FSBPXGFAJBSVTH-VXGBXAGGSA-N 1 1 190.290 1.699 10 0 ADAEMO CSC[C@@H](C)C[NH2+]CC(C)(C)N 308066530 572584203 /nfs/dbraw/zinc/58/42/03/572584203.db2.gz YWLYRZJULPTWMX-QMMMGPOBSA-N 1 1 190.356 1.312 10 0 ADAEMO CCC[N@H+](C1CC1)[C@@H](CN)C1CCC1 87584759 572580598 /nfs/dbraw/zinc/58/05/98/572580598.db2.gz UMUKDDUALZSPCD-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)CCC[N@@H+](C[C@H](O)C2CC2)C1 69793740 572580689 /nfs/dbraw/zinc/58/06/89/572580689.db2.gz BFKVRHMYEQTLEM-NSHDSACASA-N 1 1 197.322 1.879 10 0 ADAEMO Cc1ccc([C@H]2[C@@H](C[NH3+])CCN2C)o1 69796154 572580721 /nfs/dbraw/zinc/58/07/21/572580721.db2.gz UXPRDHBXABDEIN-MWLCHTKSSA-N 1 1 194.278 1.540 10 0 ADAEMO Cc1ccc([C@@H]2[C@H](C[NH3+])CCN2C)o1 69796149 572580787 /nfs/dbraw/zinc/58/07/87/572580787.db2.gz UXPRDHBXABDEIN-ONGXEEELSA-N 1 1 194.278 1.540 10 0 ADAEMO CSCCC[N@@H+](C)[C@H]1C[C@H]1CO 308069545 572580811 /nfs/dbraw/zinc/58/08/11/572580811.db2.gz AIIKDMNMOFNHTJ-IUCAKERBSA-N 1 1 189.324 1.052 10 0 ADAEMO Cc1ccccc1[C@H]1[C@H](N)CC[N@@H+]1C 69799034 572580891 /nfs/dbraw/zinc/58/08/91/572580891.db2.gz FSBPXGFAJBSVTH-NEPJUHHUSA-N 1 1 190.290 1.699 10 0 ADAEMO CCC1(C[N@@H+]2CC[C@](C)(N)C2)CCC1 405703966 572580865 /nfs/dbraw/zinc/58/08/65/572580865.db2.gz CBFKURCBDBWSNG-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO CCC1(C[N@H+]2CC[C@](C)(N)C2)CCC1 405703966 572580868 /nfs/dbraw/zinc/58/08/68/572580868.db2.gz CBFKURCBDBWSNG-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO CCC1(CN2CC[C@](C)([NH3+])C2)CCC1 405703966 572580872 /nfs/dbraw/zinc/58/08/72/572580872.db2.gz CBFKURCBDBWSNG-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO CCC[N@@H+](C)[C@H](CN)C1CCC1 87584762 572580920 /nfs/dbraw/zinc/58/09/20/572580920.db2.gz JLSGRTKMVZVZBI-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCN(C)[C@H](C[NH3+])C1CCC1 87584762 572580923 /nfs/dbraw/zinc/58/09/23/572580923.db2.gz JLSGRTKMVZVZBI-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO C[NH2+][C@@H]1CSc2ccoc2C1=O 74299397 572580971 /nfs/dbraw/zinc/58/09/71/572580971.db2.gz GSXIKLXYYUREFP-RXMQYKEDSA-N 1 1 183.232 1.156 10 0 ADAEMO C[C@H]1Oc2sccc2C(=O)[C@H]1[NH3+] 74299381 572581012 /nfs/dbraw/zinc/58/10/12/572581012.db2.gz JDRBRNFDIIHWAK-XINAWCOVSA-N 1 1 183.232 1.039 10 0 ADAEMO CCO[C@H]1C[C@@H](OCC)C[N@@H+](C)C1 114711270 572581039 /nfs/dbraw/zinc/58/10/39/572581039.db2.gz GHLYELWCFWKEDB-AOOOYVTPSA-N 1 1 187.283 1.132 10 0 ADAEMO CC[N@@H+](C(C)C)[C@H](CN)C1CCC1 87584750 572581064 /nfs/dbraw/zinc/58/10/64/572581064.db2.gz GVCPHQYJPGPLSD-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1Oc2sccc2C(=O)[C@@H]1[NH3+] 74299387 572581121 /nfs/dbraw/zinc/58/11/21/572581121.db2.gz JDRBRNFDIIHWAK-UJURSFKZSA-N 1 1 183.232 1.039 10 0 ADAEMO c1[nH]c(CC2CC2)nc1C[NH2+]C1CC1 87583894 572581175 /nfs/dbraw/zinc/58/11/75/572581175.db2.gz QEUALGRXLAXZFU-UHFFFAOYSA-N 1 1 191.278 1.614 10 0 ADAEMO CCC[NH2+]Cc1c[nH]c(CC2CC2)n1 87583890 572581399 /nfs/dbraw/zinc/58/13/99/572581399.db2.gz INGUQPARRQRCCI-UHFFFAOYSA-N 1 1 193.294 1.862 10 0 ADAEMO C[C@H]1C[N@H+](C)[C@@H](CC2CCCC2)CN1 251583909 572581557 /nfs/dbraw/zinc/58/15/57/572581557.db2.gz FEPMFAXOPYTPTQ-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1C[N@@H+](C)[C@@H](CC2CCCC2)CN1 251583909 572581560 /nfs/dbraw/zinc/58/15/60/572581560.db2.gz FEPMFAXOPYTPTQ-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[N@@H+](CC)[C@H](CN)C1CCC1 87584756 572581603 /nfs/dbraw/zinc/58/16/03/572581603.db2.gz ILJHFUWRPTUHNO-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCCC[N@@H+](C)[C@H](CN)C1CCC1 87584733 572581640 /nfs/dbraw/zinc/58/16/40/572581640.db2.gz ANNHKFLYXSFJPZ-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO C[N@@H+](CC1CC1)[C@@H](CN)C1CCC1 87584829 572581647 /nfs/dbraw/zinc/58/16/47/572581647.db2.gz QNVWWLPXAXCDGA-NSHDSACASA-N 1 1 182.311 1.456 10 0 ADAEMO Cc1ccc(C[C@H](N)C[NH+](C)C)o1 74300434 572582028 /nfs/dbraw/zinc/58/20/28/572582028.db2.gz NHFYUXHLNBAUQQ-VIFPVBQESA-N 1 1 182.267 1.019 10 0 ADAEMO C[C@@H]1C[N@@H+](C)[C@@H](C2CCCC2)CN1 251586243 572582263 /nfs/dbraw/zinc/58/22/63/572582263.db2.gz FITIDEMRUOUYBA-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CN(C)[C@@H](C2CCCC2)C[NH2+]1 251586243 572582266 /nfs/dbraw/zinc/58/22/66/572582266.db2.gz FITIDEMRUOUYBA-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO [NH3+]C[C@H](CC1CC1)N1CCCCC1 74300000 572582268 /nfs/dbraw/zinc/58/22/68/572582268.db2.gz GDPNBNNFBXUBBJ-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H](CN)C1CCC1 87585019 572582568 /nfs/dbraw/zinc/58/25/68/572582568.db2.gz GOMFTDNAVHXHFW-USWWRNFRSA-N 1 1 196.338 1.702 10 0 ADAEMO C[N@@H+](CC1CCC1)[C@H](CN)C1CCC1 87584970 572582607 /nfs/dbraw/zinc/58/26/07/572582607.db2.gz SCBOBPPIBKYNSY-GFCCVEGCSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@]1(F)CC[N@@H+](CCCCO)C1 308066928 572582631 /nfs/dbraw/zinc/58/26/31/572582631.db2.gz ZEDYQSSZESUMTE-VIFPVBQESA-N 1 1 175.247 1.193 10 0 ADAEMO CSC[C@H](C)C[NH2+]CC(C)(C)N 308066529 572582685 /nfs/dbraw/zinc/58/26/85/572582685.db2.gz YWLYRZJULPTWMX-MRVPVSSYSA-N 1 1 190.356 1.312 10 0 ADAEMO CC[C@@H]([NH3+])C(=O)c1nc(C)c(C)o1 74300801 572582787 /nfs/dbraw/zinc/58/27/87/572582787.db2.gz MIXJEKDTVHPLBO-SSDOTTSWSA-N 1 1 182.223 1.211 10 0 ADAEMO C[N@H+]1C[C@@H](N)CC[C@@H]1C1CCCC1 74300010 572582957 /nfs/dbraw/zinc/58/29/57/572582957.db2.gz DFDHSUFDOJCJMH-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO CN1C[C@@H]([NH3+])CC[C@@H]1C1CCCC1 74300010 572582959 /nfs/dbraw/zinc/58/29/59/572582959.db2.gz DFDHSUFDOJCJMH-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@H]1C[C@@H]1C[NH2+]C(C)(C)CNC 313053465 572583057 /nfs/dbraw/zinc/58/30/57/572583057.db2.gz DIPPUCTYXLXGQL-VHSXEESVSA-N 1 1 184.327 1.620 10 0 ADAEMO CC[N@@H+](CC1CC1)[C@@H](CN)C1CCC1 87585021 572583236 /nfs/dbraw/zinc/58/32/36/572583236.db2.gz OCGUDLAYNYRXGT-LBPRGKRZSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@H](CC[NH3+])N1CCC[C@@H](F)C1 689482410 572583343 /nfs/dbraw/zinc/58/33/43/572583343.db2.gz WVMTYASXPBTFER-NXEZZACHSA-N 1 1 188.290 1.548 10 0 ADAEMO C[C@@H]1C[N@H+](C)[C@@H](CC2CCCC2)CN1 251583918 572583416 /nfs/dbraw/zinc/58/34/16/572583416.db2.gz FEPMFAXOPYTPTQ-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1C[N@@H+](C)[C@@H](CC2CCCC2)CN1 251583918 572583420 /nfs/dbraw/zinc/58/34/20/572583420.db2.gz FEPMFAXOPYTPTQ-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO Cc1ccc(C[C@@H](N)C[NH+](C)C)o1 74300436 572583464 /nfs/dbraw/zinc/58/34/64/572583464.db2.gz NHFYUXHLNBAUQQ-SECBINFHSA-N 1 1 182.267 1.019 10 0 ADAEMO [NH3+]C[C@@H](CC1CC1)N1CCCCC1 74300001 572583545 /nfs/dbraw/zinc/58/35/45/572583545.db2.gz GDPNBNNFBXUBBJ-LLVKDONJSA-N 1 1 182.311 1.600 10 0 ADAEMO CCCC[C@@H](C)[N@@H+](C)C[C@H](C)N 308067426 572583885 /nfs/dbraw/zinc/58/38/85/572583885.db2.gz ZICREPWOHVCINF-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCC[C@@H](C)N(C)C[C@H](C)[NH3+] 308067426 572583888 /nfs/dbraw/zinc/58/38/88/572583888.db2.gz ZICREPWOHVCINF-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO CC[C@H](CC[NH3+])N1CCC[C@H](F)C1 689482414 572584051 /nfs/dbraw/zinc/58/40/51/572584051.db2.gz WVMTYASXPBTFER-VHSXEESVSA-N 1 1 188.290 1.548 10 0 ADAEMO C[C@@H]([C@H](N)CC1CC1)[NH+]1CCCC1 74300028 572584252 /nfs/dbraw/zinc/58/42/52/572584252.db2.gz AZNXHVQQCHJCNO-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]([C@H]([NH3+])CC1CC1)N1CCCC1 74300028 572584255 /nfs/dbraw/zinc/58/42/55/572584255.db2.gz AZNXHVQQCHJCNO-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[N@@H+](CC1CC1)[C@H](CN)C1CCC1 87585022 572584261 /nfs/dbraw/zinc/58/42/61/572584261.db2.gz OCGUDLAYNYRXGT-GFCCVEGCSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]([C@@H](N)CC1CC1)[NH+]1CCCC1 74300033 572584318 /nfs/dbraw/zinc/58/43/18/572584318.db2.gz AZNXHVQQCHJCNO-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]([C@@H]([NH3+])CC1CC1)N1CCCC1 74300033 572584322 /nfs/dbraw/zinc/58/43/22/572584322.db2.gz AZNXHVQQCHJCNO-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]([C@H](N)CC1CC1)[NH+]1CCCC1 74300030 572584459 /nfs/dbraw/zinc/58/44/59/572584459.db2.gz AZNXHVQQCHJCNO-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]([C@H]([NH3+])CC1CC1)N1CCCC1 74300030 572584461 /nfs/dbraw/zinc/58/44/61/572584461.db2.gz AZNXHVQQCHJCNO-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@]1(F)CC[N@@H+](CCCCO)C1 308066925 572584495 /nfs/dbraw/zinc/58/44/95/572584495.db2.gz ZEDYQSSZESUMTE-SECBINFHSA-N 1 1 175.247 1.193 10 0 ADAEMO CC[C@@H](CC[NH3+])N1CCC[C@@H](F)C1 689482415 572584508 /nfs/dbraw/zinc/58/45/08/572584508.db2.gz WVMTYASXPBTFER-ZJUUUORDSA-N 1 1 188.290 1.548 10 0 ADAEMO C[C@H]1C[N@@H+](C)[C@@H](C2CCCC2)CN1 251586234 572584784 /nfs/dbraw/zinc/58/47/84/572584784.db2.gz FITIDEMRUOUYBA-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CN(C)[C@@H](C2CCCC2)C[NH2+]1 251586234 572584787 /nfs/dbraw/zinc/58/47/87/572584787.db2.gz FITIDEMRUOUYBA-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[N@@H+](CC1CCC1)[C@@H](CN)C1CCC1 87584969 572585214 /nfs/dbraw/zinc/58/52/14/572585214.db2.gz SCBOBPPIBKYNSY-LBPRGKRZSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@H]([NH3+])C(=O)c1oc(C)nc1C 74300796 572585275 /nfs/dbraw/zinc/58/52/75/572585275.db2.gz RCLHHOUIPTVKHV-ZETCQYMHSA-N 1 1 182.223 1.211 10 0 ADAEMO CC[C@@H](CC[NH3+])N1CCC[C@H](F)C1 689482412 572585303 /nfs/dbraw/zinc/58/53/03/572585303.db2.gz WVMTYASXPBTFER-UWVGGRQHSA-N 1 1 188.290 1.548 10 0 ADAEMO C[C@H]([C@H](N)Cc1ccco1)[NH+](C)C 74300429 572585370 /nfs/dbraw/zinc/58/53/70/572585370.db2.gz CAIIEIIHFKUDCU-PSASIEDQSA-N 1 1 182.267 1.100 10 0 ADAEMO CC[C@H]([NH3+])C(=O)c1nc(C)c(C)o1 74300799 572585439 /nfs/dbraw/zinc/58/54/39/572585439.db2.gz MIXJEKDTVHPLBO-ZETCQYMHSA-N 1 1 182.223 1.211 10 0 ADAEMO C[C@H](C1CCC1)[N@H+]1CC[C@@H](O)C1 251549356 572585458 /nfs/dbraw/zinc/58/54/58/572585458.db2.gz LMAALWULCGLHCC-PSASIEDQSA-N 1 1 169.268 1.242 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H](CN)C1CCC1 87585017 572585497 /nfs/dbraw/zinc/58/54/97/572585497.db2.gz GOMFTDNAVHXHFW-JLLWLGSASA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]([C@H](N)Cc1ccco1)[NH+](C)C 74300428 572585685 /nfs/dbraw/zinc/58/56/85/572585685.db2.gz CAIIEIIHFKUDCU-WCBMZHEXSA-N 1 1 182.267 1.100 10 0 ADAEMO C[C@@H]([C@@H](N)Cc1ccco1)[NH+](C)C 74300431 572585700 /nfs/dbraw/zinc/58/57/00/572585700.db2.gz CAIIEIIHFKUDCU-WPRPVWTQSA-N 1 1 182.267 1.100 10 0 ADAEMO CCN(C[C@H](C)[NH3+])CC(C)(C)C 308068428 572585733 /nfs/dbraw/zinc/58/57/33/572585733.db2.gz AMTJQKMTGSTJAX-VIFPVBQESA-N 1 1 172.316 1.702 10 0 ADAEMO CC[N@@H+](C[C@H](C)N)CC(C)(C)C 308068428 572585727 /nfs/dbraw/zinc/58/57/27/572585727.db2.gz AMTJQKMTGSTJAX-VIFPVBQESA-N 1 1 172.316 1.702 10 0 ADAEMO C[C@@H](C1CCC1)[N@H+]1CC[C@@H](O)C1 251549366 572585828 /nfs/dbraw/zinc/58/58/28/572585828.db2.gz LMAALWULCGLHCC-WCBMZHEXSA-N 1 1 169.268 1.242 10 0 ADAEMO CC(C)N1CC[C@H](C)[NH2+]C[C@@H]1C 251554403 572585962 /nfs/dbraw/zinc/58/59/62/572585962.db2.gz CIJDAIDHXYOENL-UWVGGRQHSA-N 1 1 170.300 1.467 10 0 ADAEMO C[C@H]1C[C@H]1C[N@@H+](C)[C@@H](CN)C1CCC1 87585020 572586046 /nfs/dbraw/zinc/58/60/46/572586046.db2.gz GOMFTDNAVHXHFW-DLOVCJGASA-N 1 1 196.338 1.702 10 0 ADAEMO OCCC[NH2+][C@@H](C(F)F)C1CC1 308068660 572586212 /nfs/dbraw/zinc/58/62/12/572586212.db2.gz AIMSQWDVMFZOLO-SSDOTTSWSA-N 1 1 179.210 1.002 10 0 ADAEMO C[C@@H]([C@@H](N)CC1CC1)[NH+]1CCCC1 74300032 572586245 /nfs/dbraw/zinc/58/62/45/572586245.db2.gz AZNXHVQQCHJCNO-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]([C@@H]([NH3+])CC1CC1)N1CCCC1 74300032 572586248 /nfs/dbraw/zinc/58/62/48/572586248.db2.gz AZNXHVQQCHJCNO-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO CCC[NH2+][C@H](C(=O)OC)C1CCC1 87585354 572586736 /nfs/dbraw/zinc/58/67/36/572586736.db2.gz LDCVIBXIDRFFQX-VIFPVBQESA-N 1 1 185.267 1.328 10 0 ADAEMO CC(C)[C@H](N)C[NH2+][C@H]1CC[C@@H]1C 308067868 572586785 /nfs/dbraw/zinc/58/67/85/572586785.db2.gz ZPDXZOWAYBVWCI-AEJSXWLSSA-N 1 1 170.300 1.358 10 0 ADAEMO CC[NH2+][C@H](C(=O)OCC)C1CCC1 87585348 572586924 /nfs/dbraw/zinc/58/69/24/572586924.db2.gz YFUUKTMAEICTNE-VIFPVBQESA-N 1 1 185.267 1.328 10 0 ADAEMO CS[C@H](C)CC[NH2+][C@@H](C)[C@H](C)N 308068438 572586966 /nfs/dbraw/zinc/58/69/66/572586966.db2.gz AMUJMDOCCQHKRA-VGMNWLOBSA-N 1 1 190.356 1.453 10 0 ADAEMO CCCC[C@H]([NH2+]CC)c1c[nH]nn1 87600995 572591094 /nfs/dbraw/zinc/59/10/94/572591094.db2.gz UDVWHJFKYJUVRX-QMMMGPOBSA-N 1 1 182.271 1.646 10 0 ADAEMO CC[NH2+][C@H](C[C@H](C)CC)c1cn[nH]n1 87601011 572593003 /nfs/dbraw/zinc/59/30/03/572593003.db2.gz NMDMQQKWRZAWFT-RKDXNWHRSA-N 1 1 196.298 1.892 10 0 ADAEMO C[NH2+][C@@H](CN)c1ccccc1SC 238353014 572594036 /nfs/dbraw/zinc/59/40/36/572594036.db2.gz BUCXALVSXBVRTR-VIFPVBQESA-N 1 1 196.319 1.628 10 0 ADAEMO CC(C)[C@H](N)C[NH2+][C@@H]1CC[C@H]1C 308067871 572587881 /nfs/dbraw/zinc/58/78/81/572587881.db2.gz ZPDXZOWAYBVWCI-OPRDCNLKSA-N 1 1 170.300 1.358 10 0 ADAEMO CC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CCC1 87585460 572587886 /nfs/dbraw/zinc/58/78/86/572587886.db2.gz KVKCZSCTEFEWKQ-PSASIEDQSA-N 1 1 199.294 1.716 10 0 ADAEMO COC(=O)[C@H]([NH2+]CC1CC1)C1CCC1 87585432 572587951 /nfs/dbraw/zinc/58/79/51/572587951.db2.gz LFVYLCFQSPSFAY-SNVBAGLBSA-N 1 1 197.278 1.328 10 0 ADAEMO CCOC(=O)[C@@H]([NH2+]C(C)C)C1CCC1 87585345 572588139 /nfs/dbraw/zinc/58/81/39/572588139.db2.gz CGMSGLKGUPLNBK-JTQLQIEISA-N 1 1 199.294 1.716 10 0 ADAEMO OCCC[NH2+][C@H](C(F)F)C1CC1 308068665 572588148 /nfs/dbraw/zinc/58/81/48/572588148.db2.gz AIMSQWDVMFZOLO-ZETCQYMHSA-N 1 1 179.210 1.002 10 0 ADAEMO CCC[NH2+][C@@H](C(=O)OCC)C1CCC1 87585357 572588204 /nfs/dbraw/zinc/58/82/04/572588204.db2.gz SWBFMGUWLKXORN-SNVBAGLBSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+][C@@H](C[C@@H](C)CC)c1c[nH]nn1 87601010 572594814 /nfs/dbraw/zinc/59/48/14/572594814.db2.gz NMDMQQKWRZAWFT-IUCAKERBSA-N 1 1 196.298 1.892 10 0 ADAEMO COC(=O)[C@@H]([NH2+]CC(C)C)C1CCC1 87585422 572588218 /nfs/dbraw/zinc/58/82/18/572588218.db2.gz RTZWKMLHRQIKBC-JTQLQIEISA-N 1 1 199.294 1.574 10 0 ADAEMO CC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CCC1 87585461 572588260 /nfs/dbraw/zinc/58/82/60/572588260.db2.gz KVKCZSCTEFEWKQ-WCBMZHEXSA-N 1 1 199.294 1.716 10 0 ADAEMO CC(C)[C@H](N)C[NH2+][C@H]1CC[C@H]1C 308067869 572588363 /nfs/dbraw/zinc/58/83/63/572588363.db2.gz ZPDXZOWAYBVWCI-BBBLOLIVSA-N 1 1 170.300 1.358 10 0 ADAEMO COC(=O)[C@@H]([NH2+]C(C)C)C1CCC1 87585342 572588549 /nfs/dbraw/zinc/58/85/49/572588549.db2.gz RVJMHIKSKFHFDH-VIFPVBQESA-N 1 1 185.267 1.326 10 0 ADAEMO COC(=O)[C@H]([NH2+]C(C)C)C1CCC1 87585343 572588740 /nfs/dbraw/zinc/58/87/40/572588740.db2.gz RVJMHIKSKFHFDH-SECBINFHSA-N 1 1 185.267 1.326 10 0 ADAEMO CC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CCC1 87585458 572588757 /nfs/dbraw/zinc/58/87/57/572588757.db2.gz KVKCZSCTEFEWKQ-SCZZXKLOSA-N 1 1 199.294 1.716 10 0 ADAEMO CC[C@H](C)[NH2+][C@H](C(=O)OC)C1CCC1 87585459 572588879 /nfs/dbraw/zinc/58/88/79/572588879.db2.gz KVKCZSCTEFEWKQ-WPRPVWTQSA-N 1 1 199.294 1.716 10 0 ADAEMO COC(=O)[C@H]([NH2+]CC(C)C)C1CCC1 87585423 572589074 /nfs/dbraw/zinc/58/90/74/572589074.db2.gz RTZWKMLHRQIKBC-SNVBAGLBSA-N 1 1 199.294 1.574 10 0 ADAEMO CS[C@H](C)CC[NH2+][C@H](C)[C@@H](C)N 308068435 572589332 /nfs/dbraw/zinc/58/93/32/572589332.db2.gz AMUJMDOCCQHKRA-IWSPIJDZSA-N 1 1 190.356 1.453 10 0 ADAEMO CC(C)N1CC[C@@H](C)[NH2+]C[C@@H]1C 251554416 572589379 /nfs/dbraw/zinc/58/93/79/572589379.db2.gz CIJDAIDHXYOENL-ZJUUUORDSA-N 1 1 170.300 1.467 10 0 ADAEMO C[C@H]1CCC[C@@H](C)[N@H+]1[C@H](C)C(N)=O 251556799 572589402 /nfs/dbraw/zinc/58/94/02/572589402.db2.gz ADTQWOUVADENHI-HRDYMLBCSA-N 1 1 184.283 1.123 10 0 ADAEMO COC(=O)[C@@H]([NH2+]CC1CC1)C1CCC1 87585433 572589445 /nfs/dbraw/zinc/58/94/45/572589445.db2.gz LFVYLCFQSPSFAY-JTQLQIEISA-N 1 1 197.278 1.328 10 0 ADAEMO Cc1noc(C(=O)C[NH3+])c1C(C)C 74300640 572589465 /nfs/dbraw/zinc/58/94/65/572589465.db2.gz DEXZYDJYJPNOIQ-UHFFFAOYSA-N 1 1 182.223 1.248 10 0 ADAEMO CC[NH2+][C@@H](C(=O)OCC)C1CCC1 87585349 572589514 /nfs/dbraw/zinc/58/95/14/572589514.db2.gz YFUUKTMAEICTNE-SECBINFHSA-N 1 1 185.267 1.328 10 0 ADAEMO CC(C)[C@H](N)C[NH2+][C@@H]1CC[C@@H]1C 308067870 572589515 /nfs/dbraw/zinc/58/95/15/572589515.db2.gz ZPDXZOWAYBVWCI-IVZWLZJFSA-N 1 1 170.300 1.358 10 0 ADAEMO CCC[NH2+][C@@H](C(=O)OC)C1CCC1 87585355 572589524 /nfs/dbraw/zinc/58/95/24/572589524.db2.gz LDCVIBXIDRFFQX-SECBINFHSA-N 1 1 185.267 1.328 10 0 ADAEMO C[C@@H](N)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 403169583 572589532 /nfs/dbraw/zinc/58/95/32/572589532.db2.gz NAOPINIJUHBXPM-ZYUZMQFOSA-N 1 1 168.284 1.112 10 0 ADAEMO CS[C@H](C)CC[NH2+][C@@H](C)[C@@H](C)N 308068429 572589588 /nfs/dbraw/zinc/58/95/88/572589588.db2.gz AMUJMDOCCQHKRA-HLTSFMKQSA-N 1 1 190.356 1.453 10 0 ADAEMO CCC[NH2+][C@H](C(=O)OCC)C1CCC1 87585356 572589723 /nfs/dbraw/zinc/58/97/23/572589723.db2.gz SWBFMGUWLKXORN-JTQLQIEISA-N 1 1 199.294 1.718 10 0 ADAEMO CCOC(=O)[C@H]([NH2+]C(C)C)C1CCC1 87585344 572589845 /nfs/dbraw/zinc/58/98/45/572589845.db2.gz CGMSGLKGUPLNBK-SNVBAGLBSA-N 1 1 199.294 1.716 10 0 ADAEMO CCCNC(=O)CC[N@@H+](C)CCC 114787108 572590033 /nfs/dbraw/zinc/59/00/33/572590033.db2.gz JPOCYRHXQPGOGT-UHFFFAOYSA-N 1 1 186.299 1.245 10 0 ADAEMO CC[NH2+][C@@H](COC)c1cscn1 87595308 572590335 /nfs/dbraw/zinc/59/03/35/572590335.db2.gz WBYXSNHNAIJBKS-ZETCQYMHSA-N 1 1 186.280 1.440 10 0 ADAEMO CCC[C@H](C)C[C@@H]([NH2+]C)c1c[nH]nn1 87600769 572590378 /nfs/dbraw/zinc/59/03/78/572590378.db2.gz PWKJEOVYYPYLRE-DTWKUNHWSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[C@H](C)C[C@@H]([NH2+]C)c1cn[nH]n1 87600769 572590379 /nfs/dbraw/zinc/59/03/79/572590379.db2.gz PWKJEOVYYPYLRE-DTWKUNHWSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)c1ocnc1C 74300860 572590396 /nfs/dbraw/zinc/59/03/96/572590396.db2.gz XNEAYCJCQXJDHC-ZETCQYMHSA-N 1 1 182.223 1.293 10 0 ADAEMO CC[NH2+][C@@H](C[C@H](C)CC)c1cn[nH]n1 87601009 572590613 /nfs/dbraw/zinc/59/06/13/572590613.db2.gz NMDMQQKWRZAWFT-BDAKNGLRSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[NH2+][C@@H](C[C@H](C)CC)c1c[nH]nn1 87601009 572590619 /nfs/dbraw/zinc/59/06/19/572590619.db2.gz NMDMQQKWRZAWFT-BDAKNGLRSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[NH2+][C@H](C[C@@H](C)CC)c1cn[nH]n1 87601012 572590905 /nfs/dbraw/zinc/59/09/05/572590905.db2.gz NMDMQQKWRZAWFT-DTWKUNHWSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[NH2+][C@H](C[C@@H](C)CC)c1c[nH]nn1 87601012 572590909 /nfs/dbraw/zinc/59/09/09/572590909.db2.gz NMDMQQKWRZAWFT-DTWKUNHWSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[NH2+][C@H](c1cnn[nH]1)[C@H](C)CC 87601063 572590985 /nfs/dbraw/zinc/59/09/85/572590985.db2.gz BFQRQKKTVBKFOZ-APPZFPTMSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[NH2+][C@@H](c1cnn[nH]1)C(C)C 87600965 572590999 /nfs/dbraw/zinc/59/09/99/572590999.db2.gz SROVEUQRFGHCCW-MRVPVSSYSA-N 1 1 168.244 1.111 10 0 ADAEMO CC[NH2+][C@H](COC)c1cscn1 87595310 572591011 /nfs/dbraw/zinc/59/10/11/572591011.db2.gz WBYXSNHNAIJBKS-SSDOTTSWSA-N 1 1 186.280 1.440 10 0 ADAEMO CCCC[C@H]([NH2+]CC)c1cn[nH]n1 87600995 572591098 /nfs/dbraw/zinc/59/10/98/572591098.db2.gz UDVWHJFKYJUVRX-QMMMGPOBSA-N 1 1 182.271 1.646 10 0 ADAEMO CC[C@@H](C)C[C@H]([NH3+])c1cn[nH]n1 87600184 572591137 /nfs/dbraw/zinc/59/11/37/572591137.db2.gz PIPJRAVDABSZFO-RQJHMYQMSA-N 1 1 168.244 1.241 10 0 ADAEMO CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H](O)C2)C1 69849910 572591207 /nfs/dbraw/zinc/59/12/07/572591207.db2.gz KXTDPNCCDJRATK-GARJFASQSA-N 1 1 199.294 1.011 10 0 ADAEMO CO[C@H]1CCC[C@H]([N@H+]2CC[C@H](O)C2)C1 69849911 572591240 /nfs/dbraw/zinc/59/12/40/572591240.db2.gz KXTDPNCCDJRATK-DCAQKATOSA-N 1 1 199.294 1.011 10 0 ADAEMO CC(C)Cc1ncc(C(=O)C[NH3+])o1 74300642 572591257 /nfs/dbraw/zinc/59/12/57/572591257.db2.gz WUOFBHWAZWQLPJ-UHFFFAOYSA-N 1 1 182.223 1.015 10 0 ADAEMO CCC[C@@H](C)C[C@@H]([NH3+])c1cn[nH]n1 87600291 572591276 /nfs/dbraw/zinc/59/12/76/572591276.db2.gz JCNTUNMTIWORMW-HTQZYQBOSA-N 1 1 182.271 1.631 10 0 ADAEMO CC[NH2+][C@H](c1cnn[nH]1)C(C)C 87600966 572591697 /nfs/dbraw/zinc/59/16/97/572591697.db2.gz SROVEUQRFGHCCW-QMMMGPOBSA-N 1 1 168.244 1.111 10 0 ADAEMO CC[NH2+][C@@H](CC1CC1)c1cn[nH]n1 87600981 572591759 /nfs/dbraw/zinc/59/17/59/572591759.db2.gz DQGIVFSQUJXHEI-QMMMGPOBSA-N 1 1 180.255 1.255 10 0 ADAEMO CC[NH2+][C@@H](CC1CC1)c1c[nH]nn1 87600981 572591764 /nfs/dbraw/zinc/59/17/64/572591764.db2.gz DQGIVFSQUJXHEI-QMMMGPOBSA-N 1 1 180.255 1.255 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)c1cnc(C)o1 74300865 572591776 /nfs/dbraw/zinc/59/17/76/572591776.db2.gz WNURZLBIWIQPSE-ZETCQYMHSA-N 1 1 182.223 1.293 10 0 ADAEMO C[NH2+][C@H](CC1CCC1)c1c[nH]nn1 87600673 572591787 /nfs/dbraw/zinc/59/17/87/572591787.db2.gz SCZJJQGQBRSNOZ-MRVPVSSYSA-N 1 1 180.255 1.255 10 0 ADAEMO C[NH2+][C@H](CC1CCC1)c1cn[nH]n1 87600673 572591793 /nfs/dbraw/zinc/59/17/93/572591793.db2.gz SCZJJQGQBRSNOZ-MRVPVSSYSA-N 1 1 180.255 1.255 10 0 ADAEMO CC(C)CC[C@@H]([NH3+])c1cn[nH]n1 87599827 572591856 /nfs/dbraw/zinc/59/18/56/572591856.db2.gz SQDIJCMWYVBYLG-SSDOTTSWSA-N 1 1 168.244 1.241 10 0 ADAEMO C[NH2+][C@H](CCC(C)C)c1c[nH]nn1 87600575 572591932 /nfs/dbraw/zinc/59/19/32/572591932.db2.gz ZOIIIPKYCZXELX-MRVPVSSYSA-N 1 1 182.271 1.501 10 0 ADAEMO C[NH2+][C@H](CCC(C)C)c1cn[nH]n1 87600575 572591937 /nfs/dbraw/zinc/59/19/37/572591937.db2.gz ZOIIIPKYCZXELX-MRVPVSSYSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[NH2+][C@H](c1cnn[nH]1)C(C)(C)C 87600968 572592003 /nfs/dbraw/zinc/59/20/03/572592003.db2.gz LYFRBCGTRROCPW-MRVPVSSYSA-N 1 1 182.271 1.501 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)c1ncc(C)o1 74300857 572592026 /nfs/dbraw/zinc/59/20/26/572592026.db2.gz CCRJREZRRANJDN-ZETCQYMHSA-N 1 1 182.223 1.293 10 0 ADAEMO CCC(CC)[C@@H]([NH3+])c1cn[nH]n1 87600388 572592052 /nfs/dbraw/zinc/59/20/52/572592052.db2.gz WMPNBIHJBRJVRR-MRVPVSSYSA-N 1 1 168.244 1.241 10 0 ADAEMO CC[NH2+][C@H](c1cnn[nH]1)[C@@H](C)CC 87601064 572592066 /nfs/dbraw/zinc/59/20/66/572592066.db2.gz BFQRQKKTVBKFOZ-CBAPKCEASA-N 1 1 182.271 1.501 10 0 ADAEMO CC[NH2+][C@H](CCC1CC1)c1c[nH]nn1 87600962 572592086 /nfs/dbraw/zinc/59/20/86/572592086.db2.gz UCOXTSZZJZPVOL-SECBINFHSA-N 1 1 194.282 1.646 10 0 ADAEMO CC[NH2+][C@H](CCC1CC1)c1cn[nH]n1 87600962 572592089 /nfs/dbraw/zinc/59/20/89/572592089.db2.gz UCOXTSZZJZPVOL-SECBINFHSA-N 1 1 194.282 1.646 10 0 ADAEMO CC[NH2+][C@@H](c1cnn[nH]1)C(CC)CC 87601060 572592131 /nfs/dbraw/zinc/59/21/31/572592131.db2.gz QSPIOBLCOCHMMI-SNVBAGLBSA-N 1 1 196.298 1.892 10 0 ADAEMO CCCC[C@@H]([NH2+]C)c1c[nH]nn1 87600699 572592152 /nfs/dbraw/zinc/59/21/52/572592152.db2.gz LWDJOKALSPHBMX-SSDOTTSWSA-N 1 1 168.244 1.255 10 0 ADAEMO CCCC[C@@H]([NH2+]C)c1cn[nH]n1 87600699 572592155 /nfs/dbraw/zinc/59/21/55/572592155.db2.gz LWDJOKALSPHBMX-SSDOTTSWSA-N 1 1 168.244 1.255 10 0 ADAEMO CCC(CC)[C@H]([NH2+]C)c1cnn[nH]1 87600796 572592165 /nfs/dbraw/zinc/59/21/65/572592165.db2.gz BIFZSRBLABJYOX-VIFPVBQESA-N 1 1 182.271 1.501 10 0 ADAEMO CC[C@H]1C[N@@H+](CCO)C[C@@H](C)C12CC2 251613308 572596226 /nfs/dbraw/zinc/59/62/26/572596226.db2.gz DQUNWMMCUCRGFR-MNOVXSKESA-N 1 1 197.322 1.737 10 0 ADAEMO [NH3+][C@@H](CCC(F)(F)F)c1cn[nH]n1 87600163 572592199 /nfs/dbraw/zinc/59/21/99/572592199.db2.gz XIZFBPFQTXWBOO-BYPYZUCNSA-N 1 1 194.160 1.147 10 0 ADAEMO CC[NH2+][C@@H](c1cnn[nH]1)C(C)(C)C 87600967 572592251 /nfs/dbraw/zinc/59/22/51/572592251.db2.gz LYFRBCGTRROCPW-QMMMGPOBSA-N 1 1 182.271 1.501 10 0 ADAEMO CCOC[C@H]([NH2+]C)c1cscn1 87594899 572592338 /nfs/dbraw/zinc/59/23/38/572592338.db2.gz NSJNVJAFAVKYEM-ZETCQYMHSA-N 1 1 186.280 1.440 10 0 ADAEMO C[NH2+][C@@H](CC1CCCC1)c1c[nH]nn1 87600596 572592358 /nfs/dbraw/zinc/59/23/58/572592358.db2.gz DXBSOPDPMPVGEW-VIFPVBQESA-N 1 1 194.282 1.646 10 0 ADAEMO C[NH2+][C@@H](CC1CCCC1)c1cn[nH]n1 87600596 572592361 /nfs/dbraw/zinc/59/23/61/572592361.db2.gz DXBSOPDPMPVGEW-VIFPVBQESA-N 1 1 194.282 1.646 10 0 ADAEMO CCC(CC)[C@@H]([NH2+]C)c1cnn[nH]1 87600797 572592373 /nfs/dbraw/zinc/59/23/73/572592373.db2.gz BIFZSRBLABJYOX-SECBINFHSA-N 1 1 182.271 1.501 10 0 ADAEMO C[NH2+]CC(=O)c1cc(C(C)C)no1 74300734 572592395 /nfs/dbraw/zinc/59/23/95/572592395.db2.gz ZQENKIFGEPQNTH-UHFFFAOYSA-N 1 1 182.223 1.200 10 0 ADAEMO CN[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403220936 572592408 /nfs/dbraw/zinc/59/24/08/572592408.db2.gz KUHHNSGECOUXKI-DDHJBXDOSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@H](O)C1(Cc2[nH+]ccn2C)CC1 689679673 572592409 /nfs/dbraw/zinc/59/24/09/572592409.db2.gz DNIHAFAWXUFIJT-QMMMGPOBSA-N 1 1 180.251 1.124 10 0 ADAEMO CN[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403220936 572592412 /nfs/dbraw/zinc/59/24/12/572592412.db2.gz KUHHNSGECOUXKI-DDHJBXDOSA-N 1 1 194.322 1.469 10 0 ADAEMO CN[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]3C[C@H]3C2)C1 403220939 572592432 /nfs/dbraw/zinc/59/24/32/572592432.db2.gz KUHHNSGECOUXKI-NNYUYHANSA-N 1 1 194.322 1.469 10 0 ADAEMO CN[C@@H]1CC[N@H+]([C@@H]2CC[C@H]3C[C@H]3C2)C1 403220939 572592436 /nfs/dbraw/zinc/59/24/36/572592436.db2.gz KUHHNSGECOUXKI-NNYUYHANSA-N 1 1 194.322 1.469 10 0 ADAEMO CCCCCC[C@@H]([NH3+])c1cn[nH]n1 87599926 572592478 /nfs/dbraw/zinc/59/24/78/572592478.db2.gz NTJVCOCPMCOKOK-MRVPVSSYSA-N 1 1 182.271 1.775 10 0 ADAEMO CO[C@H]1CCC[C@@H]([N@H+]2CC[C@H](O)C2)C1 69849914 572592613 /nfs/dbraw/zinc/59/26/13/572592613.db2.gz KXTDPNCCDJRATK-VWYCJHECSA-N 1 1 199.294 1.011 10 0 ADAEMO CC(C)C[C@H]([NH3+])C(=O)c1cnco1 74300838 572592623 /nfs/dbraw/zinc/59/26/23/572592623.db2.gz JUONIYIYAYKTAU-ZETCQYMHSA-N 1 1 182.223 1.231 10 0 ADAEMO C[NH2+][C@H](CCC1CC1)c1c[nH]nn1 87600641 572592935 /nfs/dbraw/zinc/59/29/35/572592935.db2.gz KUQHPHPUWQPBIH-MRVPVSSYSA-N 1 1 180.255 1.255 10 0 ADAEMO C[NH2+][C@H](CCC1CC1)c1cn[nH]n1 87600641 572592942 /nfs/dbraw/zinc/59/29/42/572592942.db2.gz KUQHPHPUWQPBIH-MRVPVSSYSA-N 1 1 180.255 1.255 10 0 ADAEMO CC[NH2+][C@H](C[C@H](C)CC)c1c[nH]nn1 87601011 572593007 /nfs/dbraw/zinc/59/30/07/572593007.db2.gz NMDMQQKWRZAWFT-RKDXNWHRSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[C@H](C)C[C@H]([NH2+]C)c1c[nH]nn1 87600725 572593049 /nfs/dbraw/zinc/59/30/49/572593049.db2.gz XUIDLXSBUUDCAM-YUMQZZPRSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[C@H](C)C[C@H]([NH2+]C)c1cn[nH]n1 87600725 572593052 /nfs/dbraw/zinc/59/30/52/572593052.db2.gz XUIDLXSBUUDCAM-YUMQZZPRSA-N 1 1 182.271 1.501 10 0 ADAEMO C[C@@H](N)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403169581 572593079 /nfs/dbraw/zinc/59/30/79/572593079.db2.gz NAOPINIJUHBXPM-XFWSIPNHSA-N 1 1 168.284 1.112 10 0 ADAEMO C[NH2+][C@@H](CCC(C)(C)C)c1c[nH]nn1 87600706 572593141 /nfs/dbraw/zinc/59/31/41/572593141.db2.gz JXVXCRKYIGVGDV-QMMMGPOBSA-N 1 1 196.298 1.892 10 0 ADAEMO COC(=O)/C=C/C[N@@H+](C)C(C)C 114881050 572593142 /nfs/dbraw/zinc/59/31/42/572593142.db2.gz YUJGEBVAJJMVAG-AATRIKPKSA-N 1 1 171.240 1.056 10 0 ADAEMO C[NH2+][C@@H](CCC(C)(C)C)c1cn[nH]n1 87600706 572593145 /nfs/dbraw/zinc/59/31/45/572593145.db2.gz JXVXCRKYIGVGDV-QMMMGPOBSA-N 1 1 196.298 1.892 10 0 ADAEMO CCCCC[C@@H]([NH3+])c1cn[nH]n1 87600142 572593162 /nfs/dbraw/zinc/59/31/62/572593162.db2.gz KZEFCDVZCCAIPN-SSDOTTSWSA-N 1 1 168.244 1.385 10 0 ADAEMO CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@H](O)C2)C1 69849913 572593235 /nfs/dbraw/zinc/59/32/35/572593235.db2.gz KXTDPNCCDJRATK-OUAUKWLOSA-N 1 1 199.294 1.011 10 0 ADAEMO CCC[C@@H](C)C[C@H]([NH2+]C)c1c[nH]nn1 87600766 572593255 /nfs/dbraw/zinc/59/32/55/572593255.db2.gz PWKJEOVYYPYLRE-BDAKNGLRSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[C@@H](C)C[C@H]([NH2+]C)c1cn[nH]n1 87600766 572593259 /nfs/dbraw/zinc/59/32/59/572593259.db2.gz PWKJEOVYYPYLRE-BDAKNGLRSA-N 1 1 196.298 1.892 10 0 ADAEMO C[NH2+][C@@H](CCC1CC1)c1c[nH]nn1 87600640 572593284 /nfs/dbraw/zinc/59/32/84/572593284.db2.gz KUQHPHPUWQPBIH-QMMMGPOBSA-N 1 1 180.255 1.255 10 0 ADAEMO C[NH2+][C@@H](CCC1CC1)c1cn[nH]n1 87600640 572593287 /nfs/dbraw/zinc/59/32/87/572593287.db2.gz KUQHPHPUWQPBIH-QMMMGPOBSA-N 1 1 180.255 1.255 10 0 ADAEMO CC[NH2+][C@H](CC(C)C)c1cn[nH]n1 87600970 572593524 /nfs/dbraw/zinc/59/35/24/572593524.db2.gz JZHFNMHZVJWFHN-MRVPVSSYSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[NH2+][C@H](CC(C)C)c1c[nH]nn1 87600970 572593528 /nfs/dbraw/zinc/59/35/28/572593528.db2.gz JZHFNMHZVJWFHN-MRVPVSSYSA-N 1 1 182.271 1.501 10 0 ADAEMO C[NH2+][C@H](CCC(C)(C)C)c1cn[nH]n1 87600707 572593696 /nfs/dbraw/zinc/59/36/96/572593696.db2.gz JXVXCRKYIGVGDV-MRVPVSSYSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[C@@H]([NH3+])C(=O)c1ncc(C)o1 74300859 572593634 /nfs/dbraw/zinc/59/36/34/572593634.db2.gz CCRJREZRRANJDN-SSDOTTSWSA-N 1 1 182.223 1.293 10 0 ADAEMO C[NH2+][C@H](CCC(C)(C)C)c1c[nH]nn1 87600707 572593691 /nfs/dbraw/zinc/59/36/91/572593691.db2.gz JXVXCRKYIGVGDV-MRVPVSSYSA-N 1 1 196.298 1.892 10 0 ADAEMO C[C@@H](O)C1(Cc2[nH+]ccn2C)CC1 689679672 572593710 /nfs/dbraw/zinc/59/37/10/572593710.db2.gz DNIHAFAWXUFIJT-MRVPVSSYSA-N 1 1 180.251 1.124 10 0 ADAEMO CC[C@H](C)[C@@H]([NH2+]C)c1cnn[nH]1 87600805 572593765 /nfs/dbraw/zinc/59/37/65/572593765.db2.gz GFZCSMKJBVMTQK-POYBYMJQSA-N 1 1 168.244 1.111 10 0 ADAEMO CCC[C@@H]([NH2+]CC)c1c[nH]nn1 87600994 572593808 /nfs/dbraw/zinc/59/38/08/572593808.db2.gz BCUWTBDJISLWEM-SSDOTTSWSA-N 1 1 168.244 1.255 10 0 ADAEMO CCC[C@@H]([NH2+]CC)c1cn[nH]n1 87600994 572593812 /nfs/dbraw/zinc/59/38/12/572593812.db2.gz BCUWTBDJISLWEM-SSDOTTSWSA-N 1 1 168.244 1.255 10 0 ADAEMO CCCCC[C@H]([NH3+])c1cn[nH]n1 87600141 572593827 /nfs/dbraw/zinc/59/38/27/572593827.db2.gz KZEFCDVZCCAIPN-ZETCQYMHSA-N 1 1 168.244 1.385 10 0 ADAEMO C/C(=C/Cl)CNCCC[NH3+] 307838327 572593836 /nfs/dbraw/zinc/59/38/36/572593836.db2.gz SDVLMWFEFXJHSH-ALCCZGGFSA-N 1 1 162.664 1.067 10 0 ADAEMO CCC[C@H](C)C[C@@H]([NH3+])c1cn[nH]n1 87600293 572593865 /nfs/dbraw/zinc/59/38/65/572593865.db2.gz JCNTUNMTIWORMW-JGVFFNPUSA-N 1 1 182.271 1.631 10 0 ADAEMO CCC[C@H]([NH2+]CC)c1c[nH]nn1 87600993 572594002 /nfs/dbraw/zinc/59/40/02/572594002.db2.gz BCUWTBDJISLWEM-ZETCQYMHSA-N 1 1 168.244 1.255 10 0 ADAEMO CCC[C@H]([NH2+]CC)c1cn[nH]n1 87600993 572594007 /nfs/dbraw/zinc/59/40/07/572594007.db2.gz BCUWTBDJISLWEM-ZETCQYMHSA-N 1 1 168.244 1.255 10 0 ADAEMO CC[NH2+][C@H](c1cnn[nH]1)C(CC)CC 87601059 572594086 /nfs/dbraw/zinc/59/40/86/572594086.db2.gz QSPIOBLCOCHMMI-JTQLQIEISA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[C@@H]([NH3+])C(=O)c1conc1C 74300855 572594179 /nfs/dbraw/zinc/59/41/79/572594179.db2.gz PKHXUTCWPLPELN-MRVPVSSYSA-N 1 1 182.223 1.293 10 0 ADAEMO CCC[C@@H]([NH3+])C(=O)c1ocnc1C 74300863 572594204 /nfs/dbraw/zinc/59/42/04/572594204.db2.gz XNEAYCJCQXJDHC-SSDOTTSWSA-N 1 1 182.223 1.293 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)c1conc1C 74300852 572594275 /nfs/dbraw/zinc/59/42/75/572594275.db2.gz PKHXUTCWPLPELN-QMMMGPOBSA-N 1 1 182.223 1.293 10 0 ADAEMO CC[C@@H](C)C[C@@H]([NH2+]C)c1c[nH]nn1 87600726 572594335 /nfs/dbraw/zinc/59/43/35/572594335.db2.gz XUIDLXSBUUDCAM-HTQZYQBOSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[C@@H](C)C[C@@H]([NH2+]C)c1cn[nH]n1 87600726 572594338 /nfs/dbraw/zinc/59/43/38/572594338.db2.gz XUIDLXSBUUDCAM-HTQZYQBOSA-N 1 1 182.271 1.501 10 0 ADAEMO CCOC[C@@H]([NH2+]C)c1cscn1 87594901 572594392 /nfs/dbraw/zinc/59/43/92/572594392.db2.gz NSJNVJAFAVKYEM-SSDOTTSWSA-N 1 1 186.280 1.440 10 0 ADAEMO CC[NH2+][C@@H](CCC1CC1)c1c[nH]nn1 87600961 572594412 /nfs/dbraw/zinc/59/44/12/572594412.db2.gz UCOXTSZZJZPVOL-VIFPVBQESA-N 1 1 194.282 1.646 10 0 ADAEMO CC[NH2+][C@@H](CCC1CC1)c1cn[nH]n1 87600961 572594415 /nfs/dbraw/zinc/59/44/15/572594415.db2.gz UCOXTSZZJZPVOL-VIFPVBQESA-N 1 1 194.282 1.646 10 0 ADAEMO CC[NH2+][C@@H](CC(C)C)c1cn[nH]n1 87600969 572594436 /nfs/dbraw/zinc/59/44/36/572594436.db2.gz JZHFNMHZVJWFHN-QMMMGPOBSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[NH2+][C@@H](CC(C)C)c1c[nH]nn1 87600969 572594438 /nfs/dbraw/zinc/59/44/38/572594438.db2.gz JZHFNMHZVJWFHN-QMMMGPOBSA-N 1 1 182.271 1.501 10 0 ADAEMO CCC[C@H](C)C[C@H]([NH2+]C)c1c[nH]nn1 87600767 572594480 /nfs/dbraw/zinc/59/44/80/572594480.db2.gz PWKJEOVYYPYLRE-IUCAKERBSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[C@H](C)C[C@H]([NH2+]C)c1cn[nH]n1 87600767 572594482 /nfs/dbraw/zinc/59/44/82/572594482.db2.gz PWKJEOVYYPYLRE-IUCAKERBSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[C@@H](C)[C@H]([NH2+]C)c1cnn[nH]1 87600802 572594535 /nfs/dbraw/zinc/59/45/35/572594535.db2.gz GFZCSMKJBVMTQK-SVRRBLITSA-N 1 1 168.244 1.111 10 0 ADAEMO C[NH2+][C@H](CC(C)C)c1c[nH]nn1 87600655 572594616 /nfs/dbraw/zinc/59/46/16/572594616.db2.gz UCSSYNXQNZQBOZ-SSDOTTSWSA-N 1 1 168.244 1.111 10 0 ADAEMO C[NH2+][C@H](CC(C)C)c1cn[nH]n1 87600655 572594620 /nfs/dbraw/zinc/59/46/20/572594620.db2.gz UCSSYNXQNZQBOZ-SSDOTTSWSA-N 1 1 168.244 1.111 10 0 ADAEMO CC[C@@H](C)C[C@@H]([NH3+])c1cn[nH]n1 87600188 572594628 /nfs/dbraw/zinc/59/46/28/572594628.db2.gz PIPJRAVDABSZFO-RNFRBKRXSA-N 1 1 168.244 1.241 10 0 ADAEMO CC[C@H](C)C[C@@H]([NH2+]C)c1c[nH]nn1 87600727 572594640 /nfs/dbraw/zinc/59/46/40/572594640.db2.gz XUIDLXSBUUDCAM-JGVFFNPUSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[C@H](C)C[C@@H]([NH2+]C)c1cn[nH]n1 87600727 572594641 /nfs/dbraw/zinc/59/46/41/572594641.db2.gz XUIDLXSBUUDCAM-JGVFFNPUSA-N 1 1 182.271 1.501 10 0 ADAEMO C[NH2+][C@@H](CC1CCC1)c1c[nH]nn1 87600672 572594656 /nfs/dbraw/zinc/59/46/56/572594656.db2.gz SCZJJQGQBRSNOZ-QMMMGPOBSA-N 1 1 180.255 1.255 10 0 ADAEMO C[NH2+][C@@H](CC1CCC1)c1cn[nH]n1 87600672 572594657 /nfs/dbraw/zinc/59/46/57/572594657.db2.gz SCZJJQGQBRSNOZ-QMMMGPOBSA-N 1 1 180.255 1.255 10 0 ADAEMO CCC[C@H](C)C[C@H]([NH3+])c1cn[nH]n1 87600289 572594681 /nfs/dbraw/zinc/59/46/81/572594681.db2.gz JCNTUNMTIWORMW-YUMQZZPRSA-N 1 1 182.271 1.631 10 0 ADAEMO CCC[C@@H](C)C[C@@H]([NH2+]C)c1c[nH]nn1 87600768 572594691 /nfs/dbraw/zinc/59/46/91/572594691.db2.gz PWKJEOVYYPYLRE-RKDXNWHRSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[C@@H](C)C[C@@H]([NH2+]C)c1cn[nH]n1 87600768 572594692 /nfs/dbraw/zinc/59/46/92/572594692.db2.gz PWKJEOVYYPYLRE-RKDXNWHRSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[C@H](C)C[C@@H]([NH3+])c1cn[nH]n1 87600190 572594738 /nfs/dbraw/zinc/59/47/38/572594738.db2.gz PIPJRAVDABSZFO-NKWVEPMBSA-N 1 1 168.244 1.241 10 0 ADAEMO C[C@@H]1CCN(C2CC2)C[C@@H](C)[NH2+]1 251619874 572594751 /nfs/dbraw/zinc/59/47/51/572594751.db2.gz HNCWAVVYUFFRMA-RKDXNWHRSA-N 1 1 168.284 1.221 10 0 ADAEMO CC[NH2+][C@H](CC1CCC1)c1cn[nH]n1 87600980 572594752 /nfs/dbraw/zinc/59/47/52/572594752.db2.gz RGFGIWFQBBWLQJ-SECBINFHSA-N 1 1 194.282 1.646 10 0 ADAEMO CC[NH2+][C@H](CC1CCC1)c1c[nH]nn1 87600980 572594758 /nfs/dbraw/zinc/59/47/58/572594758.db2.gz RGFGIWFQBBWLQJ-SECBINFHSA-N 1 1 194.282 1.646 10 0 ADAEMO CC[C@H](C)[C@H]([NH2+]C)c1cnn[nH]1 87600803 572594771 /nfs/dbraw/zinc/59/47/71/572594771.db2.gz GFZCSMKJBVMTQK-XPUUQOCRSA-N 1 1 168.244 1.111 10 0 ADAEMO CC[NH2+][C@@H](C[C@@H](C)CC)c1cn[nH]n1 87601010 572594813 /nfs/dbraw/zinc/59/48/13/572594813.db2.gz NMDMQQKWRZAWFT-IUCAKERBSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[C@H](C)C[C@H]([NH3+])c1cn[nH]n1 87600187 572594849 /nfs/dbraw/zinc/59/48/49/572594849.db2.gz PIPJRAVDABSZFO-BQBZGAKWSA-N 1 1 168.244 1.241 10 0 ADAEMO CC(C)C[C@@H]([NH3+])C(=O)c1cnco1 74300840 572594877 /nfs/dbraw/zinc/59/48/77/572594877.db2.gz JUONIYIYAYKTAU-SSDOTTSWSA-N 1 1 182.223 1.231 10 0 ADAEMO CCC[C@@H](C)C[C@H]([NH3+])c1cn[nH]n1 87600287 572594915 /nfs/dbraw/zinc/59/49/15/572594915.db2.gz JCNTUNMTIWORMW-SFYZADRCSA-N 1 1 182.271 1.631 10 0 ADAEMO CC[NH2+][C@H](CC1CC1)c1cn[nH]n1 87600982 572594948 /nfs/dbraw/zinc/59/49/48/572594948.db2.gz DQGIVFSQUJXHEI-MRVPVSSYSA-N 1 1 180.255 1.255 10 0 ADAEMO CC[NH2+][C@H](CC1CC1)c1c[nH]nn1 87600982 572594951 /nfs/dbraw/zinc/59/49/51/572594951.db2.gz DQGIVFSQUJXHEI-MRVPVSSYSA-N 1 1 180.255 1.255 10 0 ADAEMO CCCC[C@@H]([NH2+]CC)c1c[nH]nn1 87600996 572594964 /nfs/dbraw/zinc/59/49/64/572594964.db2.gz UDVWHJFKYJUVRX-MRVPVSSYSA-N 1 1 182.271 1.646 10 0 ADAEMO CCCC[C@@H]([NH2+]CC)c1cn[nH]n1 87600996 572594969 /nfs/dbraw/zinc/59/49/69/572594969.db2.gz UDVWHJFKYJUVRX-MRVPVSSYSA-N 1 1 182.271 1.646 10 0 ADAEMO CC[C@@H](C)[C@@H]([NH2+]C)c1cnn[nH]1 87600804 572594979 /nfs/dbraw/zinc/59/49/79/572594979.db2.gz GFZCSMKJBVMTQK-HTRCEHHLSA-N 1 1 168.244 1.111 10 0 ADAEMO CC(C)CC[C@H]([NH3+])c1cn[nH]n1 87599826 572595084 /nfs/dbraw/zinc/59/50/84/572595084.db2.gz SQDIJCMWYVBYLG-ZETCQYMHSA-N 1 1 168.244 1.241 10 0 ADAEMO CC[C@@H](C)C[C@H]([NH2+]C)c1c[nH]nn1 87600724 572595268 /nfs/dbraw/zinc/59/52/68/572595268.db2.gz XUIDLXSBUUDCAM-SFYZADRCSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[C@@H](C)C[C@H]([NH2+]C)c1cn[nH]n1 87600724 572595272 /nfs/dbraw/zinc/59/52/72/572595272.db2.gz XUIDLXSBUUDCAM-SFYZADRCSA-N 1 1 182.271 1.501 10 0 ADAEMO [NH3+][C@H](CCC(F)(F)F)c1cn[nH]n1 87600161 572595307 /nfs/dbraw/zinc/59/53/07/572595307.db2.gz XIZFBPFQTXWBOO-SCSAIBSYSA-N 1 1 194.160 1.147 10 0 ADAEMO CC[NH2+][C@@H](CCC(C)C)c1c[nH]nn1 87600915 572595341 /nfs/dbraw/zinc/59/53/41/572595341.db2.gz BQHZAQVDCZBASU-VIFPVBQESA-N 1 1 196.298 1.892 10 0 ADAEMO CC[NH2+][C@@H](CCC(C)C)c1cn[nH]n1 87600915 572595346 /nfs/dbraw/zinc/59/53/46/572595346.db2.gz BQHZAQVDCZBASU-VIFPVBQESA-N 1 1 196.298 1.892 10 0 ADAEMO C[C@H]1CCN(C2CC2)C[C@@H](C)[NH2+]1 251619870 572595348 /nfs/dbraw/zinc/59/53/48/572595348.db2.gz HNCWAVVYUFFRMA-DTWKUNHWSA-N 1 1 168.284 1.221 10 0 ADAEMO C[NH2+][C@H](CC1CCCC1)c1c[nH]nn1 87600597 572595365 /nfs/dbraw/zinc/59/53/65/572595365.db2.gz DXBSOPDPMPVGEW-SECBINFHSA-N 1 1 194.282 1.646 10 0 ADAEMO C[NH2+][C@H](CC1CCCC1)c1cn[nH]n1 87600597 572595368 /nfs/dbraw/zinc/59/53/68/572595368.db2.gz DXBSOPDPMPVGEW-SECBINFHSA-N 1 1 194.282 1.646 10 0 ADAEMO CC[NH2+][C@H](CCC(C)C)c1c[nH]nn1 87600916 572595414 /nfs/dbraw/zinc/59/54/14/572595414.db2.gz BQHZAQVDCZBASU-SECBINFHSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[NH2+][C@H](CCC(C)C)c1cn[nH]n1 87600916 572595420 /nfs/dbraw/zinc/59/54/20/572595420.db2.gz BQHZAQVDCZBASU-SECBINFHSA-N 1 1 196.298 1.892 10 0 ADAEMO CCCC[C@H]([NH2+]C)c1c[nH]nn1 87600698 572595506 /nfs/dbraw/zinc/59/55/06/572595506.db2.gz LWDJOKALSPHBMX-ZETCQYMHSA-N 1 1 168.244 1.255 10 0 ADAEMO CCCC[C@H]([NH2+]C)c1cn[nH]n1 87600698 572595511 /nfs/dbraw/zinc/59/55/11/572595511.db2.gz LWDJOKALSPHBMX-ZETCQYMHSA-N 1 1 168.244 1.255 10 0 ADAEMO CCCCC[C@@H]([NH2+]C)c1c[nH]nn1 87600705 572595525 /nfs/dbraw/zinc/59/55/25/572595525.db2.gz BQELODZAEWIONY-MRVPVSSYSA-N 1 1 182.271 1.646 10 0 ADAEMO CCCCC[C@@H]([NH2+]C)c1cn[nH]n1 87600705 572595530 /nfs/dbraw/zinc/59/55/30/572595530.db2.gz BQELODZAEWIONY-MRVPVSSYSA-N 1 1 182.271 1.646 10 0 ADAEMO CCCCC[C@H]([NH2+]C)c1c[nH]nn1 87600704 572595633 /nfs/dbraw/zinc/59/56/33/572595633.db2.gz BQELODZAEWIONY-QMMMGPOBSA-N 1 1 182.271 1.646 10 0 ADAEMO CCCCC[C@H]([NH2+]C)c1cn[nH]n1 87600704 572595635 /nfs/dbraw/zinc/59/56/35/572595635.db2.gz BQELODZAEWIONY-QMMMGPOBSA-N 1 1 182.271 1.646 10 0 ADAEMO CC[C@@H]1C[C@@H]([NH3+])CN([C@H](C)CC)C1 251615784 572595696 /nfs/dbraw/zinc/59/56/96/572595696.db2.gz LGYJSSYBQFMLBN-GMTAPVOTSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@@H]([NH3+])C(=O)c1cnc(C)o1 74300867 572595705 /nfs/dbraw/zinc/59/57/05/572595705.db2.gz WNURZLBIWIQPSE-SSDOTTSWSA-N 1 1 182.223 1.293 10 0 ADAEMO CC[C@@H]1C[C@H]([NH3+])CN([C@H](C)CC)C1 251615788 572595723 /nfs/dbraw/zinc/59/57/23/572595723.db2.gz LGYJSSYBQFMLBN-MXWKQRLJSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H](C)[C@@H]([NH2+]C)[C@H]1CCN(C)C1 251664519 572595894 /nfs/dbraw/zinc/59/58/94/572595894.db2.gz BZSKRQAHDKUOQF-GARJFASQSA-N 1 1 184.327 1.572 10 0 ADAEMO CC[C@@H]1C[N@@H+](CCO)C[C@@H](C)C12CC2 251613307 572595989 /nfs/dbraw/zinc/59/59/89/572595989.db2.gz DQUNWMMCUCRGFR-GHMZBOCLSA-N 1 1 197.322 1.737 10 0 ADAEMO CCN[C@H](C)[C@@H](F)C(C)(C)[NH2+]C 308070070 572596250 /nfs/dbraw/zinc/59/62/50/572596250.db2.gz AZJMIIIVQPFAGD-HTQZYQBOSA-N 1 1 176.279 1.321 10 0 ADAEMO CCC[NH2+][C@H](CC1CC1)c1cnn[nH]1 87601162 572596460 /nfs/dbraw/zinc/59/64/60/572596460.db2.gz FSILMSCAVAFIBG-SECBINFHSA-N 1 1 194.282 1.646 10 0 ADAEMO CCC[NH2+][C@@H](c1cnn[nH]1)C(C)(C)C 87601147 572596717 /nfs/dbraw/zinc/59/67/17/572596717.db2.gz IXPKGDATLFHLEJ-VIFPVBQESA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[NH2+][C@H](CC(C)C)c1cnn[nH]1 87601150 572596828 /nfs/dbraw/zinc/59/68/28/572596828.db2.gz VMLXAPUOIHJNSS-SECBINFHSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[NH2+][C@@H](CC(C)C)c1cnn[nH]1 87601149 572596797 /nfs/dbraw/zinc/59/67/97/572596797.db2.gz VMLXAPUOIHJNSS-VIFPVBQESA-N 1 1 196.298 1.892 10 0 ADAEMO CC[C@@H](O)[C@H](C)Cc1[nH+]ccn1C 689681029 572597218 /nfs/dbraw/zinc/59/72/18/572597218.db2.gz KUXPCEKOMDCVTH-RKDXNWHRSA-N 1 1 182.267 1.370 10 0 ADAEMO CC[C@H](O)[C@H](C)Cc1[nH+]ccn1C 689681011 572596957 /nfs/dbraw/zinc/59/69/57/572596957.db2.gz KUXPCEKOMDCVTH-BDAKNGLRSA-N 1 1 182.267 1.370 10 0 ADAEMO CCC[NH2+][C@@H](c1cnn[nH]1)[C@@H](C)CC 87601235 572597197 /nfs/dbraw/zinc/59/71/97/572597197.db2.gz CRCGIIUSKLSJRV-WCBMZHEXSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[NH2+][C@H](C)CCc1ncc(C)n1C 713397743 572597270 /nfs/dbraw/zinc/59/72/70/572597270.db2.gz WUZHSWUMTVYESM-SECBINFHSA-N 1 1 195.310 1.659 10 0 ADAEMO CC[NH2+][C@@H](c1cnn[nH]1)[C@@H](C)CC 87601066 572597383 /nfs/dbraw/zinc/59/73/83/572597383.db2.gz BFQRQKKTVBKFOZ-IONNQARKSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[C@H](O)[C@@H](C)Cc1[nH+]ccn1C 689681027 572597386 /nfs/dbraw/zinc/59/73/86/572597386.db2.gz KUXPCEKOMDCVTH-IUCAKERBSA-N 1 1 182.267 1.370 10 0 ADAEMO CC[C@@H](O)[C@@H](C)Cc1[nH+]ccn1C 689681021 572597400 /nfs/dbraw/zinc/59/74/00/572597400.db2.gz KUXPCEKOMDCVTH-DTWKUNHWSA-N 1 1 182.267 1.370 10 0 ADAEMO CCC[NH2+][C@H](c1cnn[nH]1)[C@@H](C)CC 87601236 572597630 /nfs/dbraw/zinc/59/76/30/572597630.db2.gz CRCGIIUSKLSJRV-WPRPVWTQSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[NH2+][C@@H](CC1CC1)c1cnn[nH]1 87601161 572597449 /nfs/dbraw/zinc/59/74/49/572597449.db2.gz FSILMSCAVAFIBG-VIFPVBQESA-N 1 1 194.282 1.646 10 0 ADAEMO C[C@H]1CC[N@@H+](C)C[C@](C)([NH3+])C1 251605322 572597670 /nfs/dbraw/zinc/59/76/70/572597670.db2.gz GMLAVKPPXOSAAC-DTWKUNHWSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@H]1CCN(C)C[C@](C)([NH3+])C1 251605322 572597671 /nfs/dbraw/zinc/59/76/71/572597671.db2.gz GMLAVKPPXOSAAC-DTWKUNHWSA-N 1 1 156.273 1.066 10 0 ADAEMO [NH3+]Cc1ncc(-c2cscn2)o1 74302408 572597717 /nfs/dbraw/zinc/59/77/17/572597717.db2.gz QPNVLBACRJFYGI-UHFFFAOYSA-N 1 1 181.220 1.257 10 0 ADAEMO CCC[NH2+][C@H](c1cnn[nH]1)C(C)(C)C 87601148 572597726 /nfs/dbraw/zinc/59/77/26/572597726.db2.gz IXPKGDATLFHLEJ-SECBINFHSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[NH2+][C@@H](C)CCc1ncc(C)n1C 713397744 572597741 /nfs/dbraw/zinc/59/77/41/572597741.db2.gz WUZHSWUMTVYESM-VIFPVBQESA-N 1 1 195.310 1.659 10 0 ADAEMO CCN[C@H](C)[C@H](F)C(C)(C)[NH2+]C 308070092 572597927 /nfs/dbraw/zinc/59/79/27/572597927.db2.gz AZJMIIIVQPFAGD-SFYZADRCSA-N 1 1 176.279 1.321 10 0 ADAEMO CC[NH2+][C@H](c1cnn[nH]1)C1CCCC1 87601070 572598165 /nfs/dbraw/zinc/59/81/65/572598165.db2.gz ZOTVLNLLSLSBQC-JTQLQIEISA-N 1 1 194.282 1.646 10 0 ADAEMO Nc1cc2nc(C[NH3+])oc2cc1F 74302829 572598185 /nfs/dbraw/zinc/59/81/85/572598185.db2.gz YGUOXEWGDGGAQL-UHFFFAOYSA-N 1 1 181.170 1.008 10 0 ADAEMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)CO)C1 307840673 572598194 /nfs/dbraw/zinc/59/81/94/572598194.db2.gz BSRAQPLKQXZGDB-QWRGUYRKSA-N 1 1 185.311 1.735 10 0 ADAEMO CCN[C@@H](C)[C@H](F)C(C)(C)[NH2+]C 308070103 572598233 /nfs/dbraw/zinc/59/82/33/572598233.db2.gz AZJMIIIVQPFAGD-YUMQZZPRSA-N 1 1 176.279 1.321 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)C[C@](C)([NH3+])C1 251605326 572598268 /nfs/dbraw/zinc/59/82/68/572598268.db2.gz GMLAVKPPXOSAAC-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H]1CCN(C)C[C@](C)([NH3+])C1 251605326 572598271 /nfs/dbraw/zinc/59/82/71/572598271.db2.gz GMLAVKPPXOSAAC-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO CCC[NH2+][C@@H](c1cnn[nH]1)[C@H](C)CC 87601237 572598385 /nfs/dbraw/zinc/59/83/85/572598385.db2.gz CRCGIIUSKLSJRV-PSASIEDQSA-N 1 1 196.298 1.892 10 0 ADAEMO CC[NH2+][C@@H](c1cnn[nH]1)C1CCCC1 87601069 572598515 /nfs/dbraw/zinc/59/85/15/572598515.db2.gz ZOTVLNLLSLSBQC-SNVBAGLBSA-N 1 1 194.282 1.646 10 0 ADAEMO CC(C)C[C@H]1CC[N@H+]([C@H](C)CO)C1 307840671 572598581 /nfs/dbraw/zinc/59/85/81/572598581.db2.gz BSRAQPLKQXZGDB-GHMZBOCLSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@H](C)[C@H]([NH2+]C)[C@H]1CCN(C)C1 251664517 572598582 /nfs/dbraw/zinc/59/85/82/572598582.db2.gz BZSKRQAHDKUOQF-DCAQKATOSA-N 1 1 184.327 1.572 10 0 ADAEMO CCN[C@@H](C)[C@@H](F)C(C)(C)[NH2+]C 308070083 572598590 /nfs/dbraw/zinc/59/85/90/572598590.db2.gz AZJMIIIVQPFAGD-JGVFFNPUSA-N 1 1 176.279 1.321 10 0 ADAEMO CCc1nc(C[NH3+])oc1CC(C)C 74300368 572598879 /nfs/dbraw/zinc/59/88/79/572598879.db2.gz SUQZDEZMRMNWSO-UHFFFAOYSA-N 1 1 182.267 1.894 10 0 ADAEMO CCC[NH2+][C@H](CC)c1cnn[nH]1 87601219 572599105 /nfs/dbraw/zinc/59/91/05/572599105.db2.gz JUFOKINSCHKKHD-SSDOTTSWSA-N 1 1 168.244 1.255 10 0 ADAEMO CCC[NH2+][C@H](c1cnn[nH]1)[C@H](C)CC 87601238 572599169 /nfs/dbraw/zinc/59/91/69/572599169.db2.gz CRCGIIUSKLSJRV-SCZZXKLOSA-N 1 1 196.298 1.892 10 0 ADAEMO CCC[NH2+][C@H](CCC)c1cnn[nH]1 87601170 572599186 /nfs/dbraw/zinc/59/91/86/572599186.db2.gz UGSHNNRGAXMENN-MRVPVSSYSA-N 1 1 182.271 1.646 10 0 ADAEMO C[NH2+][C@H](CN)c1ccccc1SC 238355290 572599211 /nfs/dbraw/zinc/59/92/11/572599211.db2.gz BUCXALVSXBVRTR-SECBINFHSA-N 1 1 196.319 1.628 10 0 ADAEMO CCC[NH2+][C@H](c1cnn[nH]1)C1CC1 87601164 572599366 /nfs/dbraw/zinc/59/93/66/572599366.db2.gz DBSAPIBCNMTZQZ-VIFPVBQESA-N 1 1 180.255 1.255 10 0 ADAEMO CCC[NH2+][C@@H](CC)c1cnn[nH]1 87601218 572599567 /nfs/dbraw/zinc/59/95/67/572599567.db2.gz JUFOKINSCHKKHD-ZETCQYMHSA-N 1 1 168.244 1.255 10 0 ADAEMO CC(C)([NH3+])c1n[nH]c2c1CCCC2 74304516 572605655 /nfs/dbraw/zinc/60/56/55/572605655.db2.gz IVIZGHFLGHBKHO-UHFFFAOYSA-N 1 1 179.267 1.482 10 0 ADAEMO CCC[NH2+][C@@H](c1cnn[nH]1)C1CC1 87601163 572599813 /nfs/dbraw/zinc/59/98/13/572599813.db2.gz DBSAPIBCNMTZQZ-SECBINFHSA-N 1 1 180.255 1.255 10 0 ADAEMO C[N@H+]1[C@H]2CC[C@@H]1CC1(C2)NCCS1 87602499 572600060 /nfs/dbraw/zinc/60/00/60/572600060.db2.gz UFKJTIAFENJBAX-ULKQDVFKSA-N 1 1 198.335 1.276 10 0 ADAEMO CC[NH2+][C@@H](c1cnn[nH]1)[C@H](C)CC 87601065 572600077 /nfs/dbraw/zinc/60/00/77/572600077.db2.gz BFQRQKKTVBKFOZ-VXNVDRBHSA-N 1 1 182.271 1.501 10 0 ADAEMO CCC[NH2+][C@H](c1cnn[nH]1)C(C)C 87601146 572600106 /nfs/dbraw/zinc/60/01/06/572600106.db2.gz HITIXZWNAXDRBA-VIFPVBQESA-N 1 1 182.271 1.501 10 0 ADAEMO CCC[NH2+][C@@H](c1cnn[nH]1)C(C)C 87601145 572600164 /nfs/dbraw/zinc/60/01/64/572600164.db2.gz HITIXZWNAXDRBA-SECBINFHSA-N 1 1 182.271 1.501 10 0 ADAEMO CCC[NH2+][C@@H](CCC)c1cnn[nH]1 87601169 572600294 /nfs/dbraw/zinc/60/02/94/572600294.db2.gz UGSHNNRGAXMENN-QMMMGPOBSA-N 1 1 182.271 1.646 10 0 ADAEMO C[C@H]1CC[C@@H]([N@@H+](C)CCN)[C@@H](C)C1 222286932 572600765 /nfs/dbraw/zinc/60/07/65/572600765.db2.gz DZMKCJPPLZNWNJ-GARJFASQSA-N 1 1 184.327 1.702 10 0 ADAEMO CN(C)[C@H]1CCc2cocc2[C@H]1[NH3+] 74303236 572601163 /nfs/dbraw/zinc/60/11/63/572601163.db2.gz RQYXLIOGHAXHSG-VHSXEESVSA-N 1 1 180.251 1.156 10 0 ADAEMO [NH3+][C@@H](CC(F)(F)F)c1ncco1 74304307 572605167 /nfs/dbraw/zinc/60/51/67/572605167.db2.gz NWXRKNALEACPSK-BYPYZUCNSA-N 1 1 180.129 1.627 10 0 ADAEMO CN(C)[C@H]1CCc2cocc2[C@@H]1[NH3+] 74303233 572601416 /nfs/dbraw/zinc/60/14/16/572601416.db2.gz RQYXLIOGHAXHSG-UWVGGRQHSA-N 1 1 180.251 1.156 10 0 ADAEMO C[C@H]1CN(C)C[C@@H](C)[C@@H]1[NH2+]C1CC1 251622427 572602429 /nfs/dbraw/zinc/60/24/29/572602429.db2.gz HRSFZUMTCJQJQH-JZYVYDRUSA-N 1 1 182.311 1.325 10 0 ADAEMO COC(=O)[C@@H]([NH3+])C[C@H](C)C(F)(F)F 115159626 572602662 /nfs/dbraw/zinc/60/26/62/572602662.db2.gz ISWVDFJQHODADP-WHFBIAKZSA-N 1 1 199.172 1.075 10 0 ADAEMO CCc1[nH]c2c([nH+]1)CC[C@@H](CO)C2 74303333 572602726 /nfs/dbraw/zinc/60/27/26/572602726.db2.gz YEMIWDQPYUEWOP-SSDOTTSWSA-N 1 1 180.251 1.069 10 0 ADAEMO CN(C)[C@@H]1CCc2cocc2[C@H]1[NH3+] 74303234 572602833 /nfs/dbraw/zinc/60/28/33/572602833.db2.gz RQYXLIOGHAXHSG-NXEZZACHSA-N 1 1 180.251 1.156 10 0 ADAEMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](C)C1 115120854 572602844 /nfs/dbraw/zinc/60/28/44/572602844.db2.gz BPAATDPSFNGSDQ-VIFPVBQESA-N 1 1 199.294 1.527 10 0 ADAEMO CN(C)[C@@H]1CCc2cocc2[C@@H]1[NH3+] 74303231 572603023 /nfs/dbraw/zinc/60/30/23/572603023.db2.gz RQYXLIOGHAXHSG-ZJUUUORDSA-N 1 1 180.251 1.156 10 0 ADAEMO COC(=O)[C@H]([NH3+])C[C@H](C)C(F)(F)F 115159627 572603337 /nfs/dbraw/zinc/60/33/37/572603337.db2.gz ISWVDFJQHODADP-CRCLSJGQSA-N 1 1 199.172 1.075 10 0 ADAEMO CCc1[nH]c2c([nH+]1)CC[C@H](CO)C2 74303332 572603512 /nfs/dbraw/zinc/60/35/12/572603512.db2.gz YEMIWDQPYUEWOP-ZETCQYMHSA-N 1 1 180.251 1.069 10 0 ADAEMO COC(=O)[C@H]([NH3+])C[C@@H](C)C(F)(F)F 115159624 572603608 /nfs/dbraw/zinc/60/36/08/572603608.db2.gz ISWVDFJQHODADP-RFZPGFLSSA-N 1 1 199.172 1.075 10 0 ADAEMO CC[C@@](C)(C[NH2+]C)CN1CCC1 308072173 572603686 /nfs/dbraw/zinc/60/36/86/572603686.db2.gz BYRQYMUVWUPHMM-JTQLQIEISA-N 1 1 170.300 1.328 10 0 ADAEMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C)C1 115120861 572603692 /nfs/dbraw/zinc/60/36/92/572603692.db2.gz BPAATDPSFNGSDQ-SECBINFHSA-N 1 1 199.294 1.527 10 0 ADAEMO Cc1[nH+]c(N)cn1-c1nccs1 74303581 572603943 /nfs/dbraw/zinc/60/39/43/572603943.db2.gz RRJSEUSMXCHSLZ-UHFFFAOYSA-N 1 1 180.236 1.219 10 0 ADAEMO COC(=O)[C@@H]([NH3+])C[C@@H](C)C(F)(F)F 115159621 572604085 /nfs/dbraw/zinc/60/40/85/572604085.db2.gz ISWVDFJQHODADP-UHNVWZDZSA-N 1 1 199.172 1.075 10 0 ADAEMO COC[C@H](C)[N@H+]1CCCC[C@@H]1C(C)=O 69902128 572604672 /nfs/dbraw/zinc/60/46/72/572604672.db2.gz NRNLFUZLYPQCDI-GXSJLCMTSA-N 1 1 199.294 1.465 10 0 ADAEMO COc1c(C)c[nH+]c(/C=C\CO)c1C 115137195 572604675 /nfs/dbraw/zinc/60/46/75/572604675.db2.gz DNDWQWJZFZSZSI-PLNGDYQASA-N 1 1 193.246 1.713 10 0 ADAEMO CCCCc1noc(C2([NH3+])CC2)n1 308076544 572604739 /nfs/dbraw/zinc/60/47/39/572604739.db2.gz KYOSMBIQVOOSEO-UHFFFAOYSA-N 1 1 181.239 1.360 10 0 ADAEMO O[C@H]1CC[N@H+]2CCCC=CC[C@H]12 308076488 572604764 /nfs/dbraw/zinc/60/47/64/572604764.db2.gz DLZQKISLDYZWSH-ZJUUUORDSA-N 1 1 167.252 1.162 10 0 ADAEMO CC(C)Cc1[nH]nc2c1C[C@H]([NH3+])C2 74304553 572605231 /nfs/dbraw/zinc/60/52/31/572605231.db2.gz LMEZIXYVGSHNHN-ZETCQYMHSA-N 1 1 179.267 1.034 10 0 ADAEMO Cc1cc([C@@H]2CCCC[C@H]2[NH3+])n[nH]1 74304521 572605263 /nfs/dbraw/zinc/60/52/63/572605263.db2.gz LKGOOODAUGNQBU-RKDXNWHRSA-N 1 1 179.267 1.703 10 0 ADAEMO CC(C)Cc1[nH]nc2c1C[C@@H]([NH3+])C2 74304551 572605329 /nfs/dbraw/zinc/60/53/29/572605329.db2.gz LMEZIXYVGSHNHN-SSDOTTSWSA-N 1 1 179.267 1.034 10 0 ADAEMO Cc1nc(C[NH3+])oc1C(F)(F)F 74304297 572605394 /nfs/dbraw/zinc/60/53/94/572605394.db2.gz UUIBOYZLYJBDIC-UHFFFAOYSA-N 1 1 180.129 1.461 10 0 ADAEMO Cc1[nH]ncc1[C@@H]([NH3+])CCC1CC1 74304410 572605525 /nfs/dbraw/zinc/60/55/25/572605525.db2.gz BTPCIFOMUYMELP-JTQLQIEISA-N 1 1 179.267 1.908 10 0 ADAEMO CC(C)[C@H]([NH3+])c1cnc(C2CC2)[nH]1 74304453 572605738 /nfs/dbraw/zinc/60/57/38/572605738.db2.gz OADPSSPMZLSXSZ-VIFPVBQESA-N 1 1 179.267 1.943 10 0 ADAEMO Cc1cc([C@@H]2CCCC[C@@H]2[NH3+])n[nH]1 74304518 572605942 /nfs/dbraw/zinc/60/59/42/572605942.db2.gz LKGOOODAUGNQBU-BDAKNGLRSA-N 1 1 179.267 1.703 10 0 ADAEMO CC(C)(C)c1[nH]nc2c1C[C@@H]([NH3+])C2 74304573 572605947 /nfs/dbraw/zinc/60/59/47/572605947.db2.gz XWUGSSCUHYKOOY-ZCFIWIBFSA-N 1 1 179.267 1.133 10 0 ADAEMO C=C/C=C\CC[NH2+]Cc1noc(C)n1 713728739 572606036 /nfs/dbraw/zinc/60/60/36/572606036.db2.gz MEGLPSRFSRNKOL-PLNGDYQASA-N 1 1 193.250 1.600 10 0 ADAEMO CC[C@@H]([NH3+])[C@H]1CCCc2cn[nH]c21 74304363 572606074 /nfs/dbraw/zinc/60/60/74/572606074.db2.gz NPBINDJJADKLLP-RKDXNWHRSA-N 1 1 179.267 1.567 10 0 ADAEMO Cc1cc([C@H]2CCCC[C@H]2[NH3+])n[nH]1 74304524 572606102 /nfs/dbraw/zinc/60/61/02/572606102.db2.gz LKGOOODAUGNQBU-DTWKUNHWSA-N 1 1 179.267 1.703 10 0 ADAEMO CCc1[nH]nc2c1CC[C@H](C[NH3+])C2 74304570 572606251 /nfs/dbraw/zinc/60/62/51/572606251.db2.gz GNRSSHUSOZBJBX-ZETCQYMHSA-N 1 1 179.267 1.036 10 0 ADAEMO Cc1[nH+]ccn1-c1csc(N)c1 74304884 572606216 /nfs/dbraw/zinc/60/62/16/572606216.db2.gz KEOZKPRQWZLKRM-UHFFFAOYSA-N 1 1 179.248 1.824 10 0 ADAEMO Cc1[nH+]c(N)cn1-c1cccs1 74304880 572606231 /nfs/dbraw/zinc/60/62/31/572606231.db2.gz FYAXISAOOVJKCZ-UHFFFAOYSA-N 1 1 179.248 1.824 10 0 ADAEMO Cc1[nH]ncc1[C@H]([NH3+])[C@H](C)C1CC1 74304373 572606287 /nfs/dbraw/zinc/60/62/87/572606287.db2.gz XMUSROVWMBJNDK-LHLIQPBNSA-N 1 1 179.267 1.764 10 0 ADAEMO [NH3+][C@H](Cc1ccn[nH]1)C1CCCC1 74304395 572606295 /nfs/dbraw/zinc/60/62/95/572606295.db2.gz BMJAMBLAKIOULA-SNVBAGLBSA-N 1 1 179.267 1.470 10 0 ADAEMO [NH3+][C@@H](Cc1ccn[nH]1)C1CCCC1 74304393 572606384 /nfs/dbraw/zinc/60/63/84/572606384.db2.gz BMJAMBLAKIOULA-JTQLQIEISA-N 1 1 179.267 1.470 10 0 ADAEMO CC(C)(C)c1[nH]nc2c1C[C@H]([NH3+])C2 74304575 572606391 /nfs/dbraw/zinc/60/63/91/572606391.db2.gz XWUGSSCUHYKOOY-LURJTMIESA-N 1 1 179.267 1.133 10 0 ADAEMO [NH3+]CCCc1cc(CC2CC2)[nH]n1 74304580 572606503 /nfs/dbraw/zinc/60/65/03/572606503.db2.gz OODZXMAVSRPXAF-UHFFFAOYSA-N 1 1 179.267 1.254 10 0 ADAEMO CCc1[nH]nc2c1CC[C@@H](C[NH3+])C2 74304568 572606515 /nfs/dbraw/zinc/60/65/15/572606515.db2.gz GNRSSHUSOZBJBX-SSDOTTSWSA-N 1 1 179.267 1.036 10 0 ADAEMO Cc1cc(CCC2(C[NH3+])CC2)[nH]n1 74304457 572606584 /nfs/dbraw/zinc/60/65/84/572606584.db2.gz GJEQYHIGIUHYQH-UHFFFAOYSA-N 1 1 179.267 1.390 10 0 ADAEMO Cc1cc(C[C@H]([NH3+])C2(C)CC2)n[nH]1 74304467 572606590 /nfs/dbraw/zinc/60/65/90/572606590.db2.gz OFJNIADJSJIPRC-VIFPVBQESA-N 1 1 179.267 1.388 10 0 ADAEMO C[C@H]([NH3+])c1ncc(C(F)(F)F)o1 74304298 572606629 /nfs/dbraw/zinc/60/66/29/572606629.db2.gz HRGBPXNVLNCANS-VKHMYHEASA-N 1 1 180.129 1.713 10 0 ADAEMO Cc1[nH+]ccn1-c1ccc(N)s1 74304883 572606665 /nfs/dbraw/zinc/60/66/65/572606665.db2.gz FHPOBJARJOKUSN-UHFFFAOYSA-N 1 1 179.248 1.824 10 0 ADAEMO C[N@H+]1CCC[C@H](c2cc(N)c[nH]2)C1 74304662 572606702 /nfs/dbraw/zinc/60/67/02/572606702.db2.gz HWIZEFKYLWFCMH-QMMMGPOBSA-N 1 1 179.267 1.406 10 0 ADAEMO Cc1[nH]ncc1[C@@H]([NH3+])[C@@H](C)C1CC1 74304372 572606755 /nfs/dbraw/zinc/60/67/55/572606755.db2.gz XMUSROVWMBJNDK-WKEGUHRASA-N 1 1 179.267 1.764 10 0 ADAEMO CC/C=C\[N@H+]1CCC[C@@H](O)C1 255985722 572606777 /nfs/dbraw/zinc/60/67/77/572606777.db2.gz LNPVDKNIOXAHMV-JVBZPZKUSA-N 1 1 155.241 1.367 10 0 ADAEMO CC[C@H]([NH3+])[C@H]1CCCc2cn[nH]c21 74304361 572606858 /nfs/dbraw/zinc/60/68/58/572606858.db2.gz NPBINDJJADKLLP-BDAKNGLRSA-N 1 1 179.267 1.567 10 0 ADAEMO C[N@H+]1CCC[C@@H](c2cc(N)c[nH]2)C1 74304663 572606873 /nfs/dbraw/zinc/60/68/73/572606873.db2.gz HWIZEFKYLWFCMH-MRVPVSSYSA-N 1 1 179.267 1.406 10 0 ADAEMO Cc1cc(C[C@@H]([NH3+])C2(C)CC2)n[nH]1 74304468 572606913 /nfs/dbraw/zinc/60/69/13/572606913.db2.gz OFJNIADJSJIPRC-SECBINFHSA-N 1 1 179.267 1.388 10 0 ADAEMO CC[C@@H](C(N)=O)[N@@H+](C)CCC1CCC1 688699734 572606915 /nfs/dbraw/zinc/60/69/15/572606915.db2.gz WZJVZFKZTNRSGB-JTQLQIEISA-N 1 1 198.310 1.372 10 0 ADAEMO CC[C@H](C(N)=O)[N@@H+](C)CCC1CCC1 688699737 572606963 /nfs/dbraw/zinc/60/69/63/572606963.db2.gz WZJVZFKZTNRSGB-SNVBAGLBSA-N 1 1 198.310 1.372 10 0 ADAEMO [NH3+][C@H](CC(F)(F)F)c1ncco1 74304306 572606989 /nfs/dbraw/zinc/60/69/89/572606989.db2.gz NWXRKNALEACPSK-SCSAIBSYSA-N 1 1 180.129 1.627 10 0 ADAEMO Cc1[nH]ncc1[C@H]([NH3+])CCC1CC1 74304409 572607013 /nfs/dbraw/zinc/60/70/13/572607013.db2.gz BTPCIFOMUYMELP-SNVBAGLBSA-N 1 1 179.267 1.908 10 0 ADAEMO CC[C@@H]([NH3+])[C@@H]1CCCc2cn[nH]c21 74304359 572607097 /nfs/dbraw/zinc/60/70/97/572607097.db2.gz NPBINDJJADKLLP-DTWKUNHWSA-N 1 1 179.267 1.567 10 0 ADAEMO Cc1cc([C@H]2CCCC[C@@H]2[NH3+])n[nH]1 74304519 572607128 /nfs/dbraw/zinc/60/71/28/572607128.db2.gz LKGOOODAUGNQBU-IUCAKERBSA-N 1 1 179.267 1.703 10 0 ADAEMO Cc1[nH]ncc1[C@H]([NH3+])[C@@H](C)C1CC1 74304370 572607189 /nfs/dbraw/zinc/60/71/89/572607189.db2.gz XMUSROVWMBJNDK-QUBYGPBYSA-N 1 1 179.267 1.764 10 0 ADAEMO C=C/C=C/CC[NH2+]Cc1noc(C)n1 713728743 572607341 /nfs/dbraw/zinc/60/73/41/572607341.db2.gz MEGLPSRFSRNKOL-SNAWJCMRSA-N 1 1 193.250 1.600 10 0 ADAEMO C[C@@H]1CN(C)C[C@H]2CCC[C@H]2[NH2+]1 251674996 572607403 /nfs/dbraw/zinc/60/74/03/572607403.db2.gz HNPHWFDTVIZNJT-OPRDCNLKSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[C@H](Cc1[nH+]ccn1C)[C@@H](C)O 689683526 572607594 /nfs/dbraw/zinc/60/75/94/572607594.db2.gz WLDKIXXEXQJLQF-RKDXNWHRSA-N 1 1 182.267 1.370 10 0 ADAEMO C[C@H]([NH2+]CC1CCCC1)[C@@H](C)N 308073627 572607845 /nfs/dbraw/zinc/60/78/45/572607845.db2.gz CJPMXZREBBMZNU-BDAKNGLRSA-N 1 1 170.300 1.502 10 0 ADAEMO CC[C@H](Cc1[nH+]ccn1C)[C@H](C)O 689683523 572607858 /nfs/dbraw/zinc/60/78/58/572607858.db2.gz WLDKIXXEXQJLQF-DTWKUNHWSA-N 1 1 182.267 1.370 10 0 ADAEMO CC[C@@H](Cc1[nH+]ccn1C)[C@@H](C)O 689683522 572608101 /nfs/dbraw/zinc/60/81/01/572608101.db2.gz WLDKIXXEXQJLQF-BDAKNGLRSA-N 1 1 182.267 1.370 10 0 ADAEMO C[NH2+]C[C@@H](CN(C)C)c1ccccc1 238356300 572608133 /nfs/dbraw/zinc/60/81/33/572608133.db2.gz FQXWPRYMPQCOGN-LBPRGKRZSA-N 1 1 192.306 1.551 10 0 ADAEMO C[C@@H](N)[C@@H](C)[NH2+]CC1CCCC1 308073646 572608335 /nfs/dbraw/zinc/60/83/35/572608335.db2.gz CJPMXZREBBMZNU-RKDXNWHRSA-N 1 1 170.300 1.502 10 0 ADAEMO COC[C@H]([NH3+])c1c[nH]cc2ccnc1-2 713728872 572608367 /nfs/dbraw/zinc/60/83/67/572608367.db2.gz MTQRZGTXVMFXET-VIFPVBQESA-N 1 1 191.234 1.209 10 0 ADAEMO CC[C@@H](Cc1[nH+]ccn1C)[C@H](C)O 689683525 572608436 /nfs/dbraw/zinc/60/84/36/572608436.db2.gz WLDKIXXEXQJLQF-IUCAKERBSA-N 1 1 182.267 1.370 10 0 ADAEMO CC(C)[C@H]([NH3+])CCN1CC=CC1 308072876 572608443 /nfs/dbraw/zinc/60/84/43/572608443.db2.gz COWBJDUBXMDGKW-SNVBAGLBSA-N 1 1 168.284 1.232 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]CC1CCCC1 308073639 572608623 /nfs/dbraw/zinc/60/86/23/572608623.db2.gz CJPMXZREBBMZNU-IUCAKERBSA-N 1 1 170.300 1.502 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)[C@H]2CC(=O)C[C@H]2C1 251675619 572608738 /nfs/dbraw/zinc/60/87/38/572608738.db2.gz LXWISOZEFAHXSJ-KKZNHRDASA-N 1 1 181.279 1.696 10 0 ADAEMO C[C@@H]1CN(C)C[C@@H]2CCC[C@H]2[NH2+]1 251674991 572608919 /nfs/dbraw/zinc/60/89/19/572608919.db2.gz HNPHWFDTVIZNJT-KXUCPTDWSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)[C@H]2CC(=O)C[C@@H]2C1 251675622 572609185 /nfs/dbraw/zinc/60/91/85/572609185.db2.gz LXWISOZEFAHXSJ-YWVKMMECSA-N 1 1 181.279 1.696 10 0 ADAEMO CN1CCC[C@H]1CC[NH2+]C(C)(C)C 165933025 572609516 /nfs/dbraw/zinc/60/95/16/572609516.db2.gz NCFXPVMBFRUTFC-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO C[C@@H]1CN(C)C[C@H]2CCC[C@@H]2[NH2+]1 251674985 572609649 /nfs/dbraw/zinc/60/96/49/572609649.db2.gz HNPHWFDTVIZNJT-BBBLOLIVSA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)[C@@H]([NH3+])CCN1CC=CC1 308072873 572609944 /nfs/dbraw/zinc/60/99/44/572609944.db2.gz COWBJDUBXMDGKW-JTQLQIEISA-N 1 1 168.284 1.232 10 0 ADAEMO [NH3+][C@@H](CC(F)(F)F)c1cnc[nH]1 74305631 572610134 /nfs/dbraw/zinc/61/01/34/572610134.db2.gz ZPZKGUSJDGHAEI-BYPYZUCNSA-N 1 1 179.145 1.362 10 0 ADAEMO CC[C@@H]1[C@H](C)C[C@@H](C[NH3+])C[N@H+]1C 251674064 572610264 /nfs/dbraw/zinc/61/02/64/572610264.db2.gz OVQFTEBKHRJKFN-KXUCPTDWSA-N 1 1 170.300 1.312 10 0 ADAEMO CC[C@@H]1[C@@H](C)C[C@@H](C[NH3+])C[N@H+]1C 251674066 572610377 /nfs/dbraw/zinc/61/03/77/572610377.db2.gz OVQFTEBKHRJKFN-LPEHRKFASA-N 1 1 170.300 1.312 10 0 ADAEMO C[C@H]1C[N@@H+](C)Cc2c1c[nH]c2C=O 74306092 572611028 /nfs/dbraw/zinc/61/10/28/572611028.db2.gz YVIAQSYDOKZMRZ-ZETCQYMHSA-N 1 1 178.235 1.376 10 0 ADAEMO C[C@@H]1[C@@H](N)CC[N@@H+]1CCCCF 308073780 572610926 /nfs/dbraw/zinc/61/09/26/572610926.db2.gz CMTWEGSVMOLVNK-BDAKNGLRSA-N 1 1 174.263 1.158 10 0 ADAEMO C[C@@H]1[C@@H](N)CC[N@H+]1CCCCF 308073780 572610927 /nfs/dbraw/zinc/61/09/27/572610927.db2.gz CMTWEGSVMOLVNK-BDAKNGLRSA-N 1 1 174.263 1.158 10 0 ADAEMO C[C@@H]1[C@H](N)CC[N@@H+]1CCCCF 308073783 572610949 /nfs/dbraw/zinc/61/09/49/572610949.db2.gz CMTWEGSVMOLVNK-RKDXNWHRSA-N 1 1 174.263 1.158 10 0 ADAEMO C[C@@H]1[C@H](N)CC[N@H+]1CCCCF 308073783 572610954 /nfs/dbraw/zinc/61/09/54/572610954.db2.gz CMTWEGSVMOLVNK-RKDXNWHRSA-N 1 1 174.263 1.158 10 0 ADAEMO [NH3+][C@H](CC(F)(F)F)c1cnc[nH]1 74305630 572611180 /nfs/dbraw/zinc/61/11/80/572611180.db2.gz ZPZKGUSJDGHAEI-SCSAIBSYSA-N 1 1 179.145 1.362 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@@H+]1CCCCF 308073782 572611329 /nfs/dbraw/zinc/61/13/29/572611329.db2.gz CMTWEGSVMOLVNK-IUCAKERBSA-N 1 1 174.263 1.158 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@H+]1CCCCF 308073782 572611331 /nfs/dbraw/zinc/61/13/31/572611331.db2.gz CMTWEGSVMOLVNK-IUCAKERBSA-N 1 1 174.263 1.158 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@@H+]1CCCCF 308073781 572611504 /nfs/dbraw/zinc/61/15/04/572611504.db2.gz CMTWEGSVMOLVNK-DTWKUNHWSA-N 1 1 174.263 1.158 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@H+]1CCCCF 308073781 572611506 /nfs/dbraw/zinc/61/15/06/572611506.db2.gz CMTWEGSVMOLVNK-DTWKUNHWSA-N 1 1 174.263 1.158 10 0 ADAEMO CC[C@H]([NH3+])c1nc2ccnnc2o1 74306345 572614304 /nfs/dbraw/zinc/61/43/04/572614304.db2.gz WBCLRXQRJGVJFR-YFKPBYRVSA-N 1 1 178.195 1.028 10 0 ADAEMO Cc1nc(N)oc1-n1cc[nH+]c1C 74306403 572611989 /nfs/dbraw/zinc/61/19/89/572611989.db2.gz OAVZROHYSMLNNO-UHFFFAOYSA-N 1 1 178.195 1.059 10 0 ADAEMO CC[C@@H]([NH3+])c1nc2ccnnc2o1 74306346 572612130 /nfs/dbraw/zinc/61/21/30/572612130.db2.gz WBCLRXQRJGVJFR-RXMQYKEDSA-N 1 1 178.195 1.028 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(-c2cnco2)[nH]1 74306337 572612474 /nfs/dbraw/zinc/61/24/74/572612474.db2.gz CPNZFYKKGMNTFI-RXMQYKEDSA-N 1 1 178.195 1.084 10 0 ADAEMO C[C@@H](C[NH3+])C[N@H+]1CCCCC[C@@H]1C 69944412 572612567 /nfs/dbraw/zinc/61/25/67/572612567.db2.gz OZFBYFPOPRPRDU-QWRGUYRKSA-N 1 1 184.327 1.846 10 0 ADAEMO Cc1cc(C)c2c([nH+]1)C[C@@H](O)CC2 74307000 572612456 /nfs/dbraw/zinc/61/24/56/572612456.db2.gz BDQNOCXRDBCKEL-VIFPVBQESA-N 1 1 177.247 1.548 10 0 ADAEMO CC(C)([NH3+])c1nc(-c2ccoc2)no1 69946077 572612457 /nfs/dbraw/zinc/61/24/57/572612457.db2.gz CFTASYMFOZISHK-UHFFFAOYSA-N 1 1 193.206 1.523 10 0 ADAEMO Nc1cc(Cc2cncnc2)cc[nH+]1 69942492 572612591 /nfs/dbraw/zinc/61/25/91/572612591.db2.gz RMSVWIYHXQTTNP-UHFFFAOYSA-N 1 1 186.218 1.045 10 0 ADAEMO CCC[N@@H+](CC(C)C)[C@@H](C)CO 308074982 572612634 /nfs/dbraw/zinc/61/26/34/572612634.db2.gz CZMSTPUTHXCDHP-JTQLQIEISA-N 1 1 173.300 1.735 10 0 ADAEMO CCC[C@@H](O)c1c(C)cc[nH+]c1N 69941932 572612750 /nfs/dbraw/zinc/61/27/50/572612750.db2.gz PBQMZFUTSUXPKN-MRVPVSSYSA-N 1 1 180.251 1.806 10 0 ADAEMO Cc1c[nH+]c(N)c([C@](C)(O)C2CC2)c1 69942758 572612773 /nfs/dbraw/zinc/61/27/73/572612773.db2.gz FHUUCWMJHAHZOM-LLVKDONJSA-N 1 1 192.262 1.590 10 0 ADAEMO CCC[C@H](O)c1cc(C)c[nH+]c1N 69942852 572612780 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195.209 1.312 10 0 ADAEMO C[NH2+]Cc1nnc([C@H]2CCSC2)o1 70005483 572625606 /nfs/dbraw/zinc/62/56/06/572625606.db2.gz YERCXEBWNMLXHZ-LURJTMIESA-N 1 1 199.279 1.010 10 0 ADAEMO C[C@@H]1C[C@@H]2CC(=O)CC[C@H]2C[N@H+]1C 251728286 572625666 /nfs/dbraw/zinc/62/56/66/572625666.db2.gz CGYGNXSGLWYWDP-KXUCPTDWSA-N 1 1 181.279 1.696 10 0 ADAEMO CC(C)c1nsc([C@H](C)[NH3+])n1 74310393 572625717 /nfs/dbraw/zinc/62/57/17/572625717.db2.gz SQULNZCROQBNGP-YFKPBYRVSA-N 1 1 171.269 1.681 10 0 ADAEMO CC(C)C[C@H]1CC[C@@H]([NH3+])CN1C 74310669 572625803 /nfs/dbraw/zinc/62/58/03/572625803.db2.gz AXPPLWOWXFAJQY-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)C[C@H]1CC[C@@H](N)C[N@@H+]1C 74310669 572625804 /nfs/dbraw/zinc/62/58/04/572625804.db2.gz AXPPLWOWXFAJQY-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)C[C@H]1CC[C@@H](N)C[N@H+]1C 74310669 572625805 /nfs/dbraw/zinc/62/58/05/572625805.db2.gz AXPPLWOWXFAJQY-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[NH2+]Cc1nnc([C@H]2CCCS2)o1 70005487 572626133 /nfs/dbraw/zinc/62/61/33/572626133.db2.gz BQKOQZOJBRHRIZ-ZCFIWIBFSA-N 1 1 199.279 1.357 10 0 ADAEMO CC1(C[N@H+]2CCC[C@H]2CN)CC1 196855304 572626160 /nfs/dbraw/zinc/62/61/60/572626160.db2.gz VUZUFRCZTOITDM-VIFPVBQESA-N 1 1 168.284 1.210 10 0 ADAEMO CC1(CN2CCC[C@H]2C[NH3+])CC1 196855304 572626164 /nfs/dbraw/zinc/62/61/64/572626164.db2.gz VUZUFRCZTOITDM-VIFPVBQESA-N 1 1 168.284 1.210 10 0 ADAEMO C[C@H]1CCN(C2CC2)[C@@H](C)C[NH2+]1 251740892 572626171 /nfs/dbraw/zinc/62/61/71/572626171.db2.gz RHYFGBNJYDFCID-IUCAKERBSA-N 1 1 168.284 1.221 10 0 ADAEMO CC[C@@H](C)[N@H+]1[C@@H](C)CNCC1(C)C 251728640 572626186 /nfs/dbraw/zinc/62/61/86/572626186.db2.gz FJFRZHKWKPDCTP-ZJUUUORDSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H](C)[N@H+]1[C@@H](C)CNCC1(C)C 251728634 572626508 /nfs/dbraw/zinc/62/65/08/572626508.db2.gz FJFRZHKWKPDCTP-UWVGGRQHSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@H]1C[NH2+][C@H](C)CCN1C1CC1 251740890 572626547 /nfs/dbraw/zinc/62/65/47/572626547.db2.gz RHYFGBNJYDFCID-BDAKNGLRSA-N 1 1 168.284 1.221 10 0 ADAEMO C[C@@H](CC[NH3+])c1n[nH]c(C2CC2)n1 87634780 572626554 /nfs/dbraw/zinc/62/65/54/572626554.db2.gz PGKSXEGARLTSPB-LURJTMIESA-N 1 1 180.255 1.134 10 0 ADAEMO C[C@@H](CC[NH3+])c1nc(C2CC2)n[nH]1 87634780 572626558 /nfs/dbraw/zinc/62/65/58/572626558.db2.gz PGKSXEGARLTSPB-LURJTMIESA-N 1 1 180.255 1.134 10 0 ADAEMO CC(C)CC[C@H](CN)[NH+](C)C 394047451 572626566 /nfs/dbraw/zinc/62/65/66/572626566.db2.gz KJYMTJDLBDESPQ-SECBINFHSA-N 1 1 158.289 1.312 10 0 ADAEMO Cc1cc(N)cc(C)c1[NH+](C)C 196849413 572626954 /nfs/dbraw/zinc/62/69/54/572626954.db2.gz YNMYYWXXPSUOSJ-UHFFFAOYSA-N 1 1 164.252 1.952 10 0 ADAEMO CCCc1n[nH]c([C@H](C)CC[NH3+])n1 87634779 572627058 /nfs/dbraw/zinc/62/70/58/572627058.db2.gz CBFBOPHNDMSXKK-SSDOTTSWSA-N 1 1 182.271 1.210 10 0 ADAEMO CCCc1nnc([C@H](C)CC[NH3+])[nH]1 87634779 572627062 /nfs/dbraw/zinc/62/70/62/572627062.db2.gz CBFBOPHNDMSXKK-SSDOTTSWSA-N 1 1 182.271 1.210 10 0 ADAEMO CC(C)c1nnc([C@@H](C)CC[NH3+])[nH]1 87634776 572627597 /nfs/dbraw/zinc/62/75/97/572627597.db2.gz PYXNIRUWQACXAW-ZETCQYMHSA-N 1 1 182.271 1.380 10 0 ADAEMO CC(C)c1nc([C@@H](C)CC[NH3+])n[nH]1 87634776 572627602 /nfs/dbraw/zinc/62/76/02/572627602.db2.gz PYXNIRUWQACXAW-ZETCQYMHSA-N 1 1 182.271 1.380 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@H](C)NC[C@@H]1C 251743666 572627849 /nfs/dbraw/zinc/62/78/49/572627849.db2.gz RPCHUEIYEDBERM-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]([NH3+])C[N@H+]1CCC2(CC2)[C@H](C)C1 251743549 572627902 /nfs/dbraw/zinc/62/79/02/572627902.db2.gz KYWUKNSXWIMKIP-ZJUUUORDSA-N 1 1 182.311 1.456 10 0 ADAEMO CCCc1n[nH]c([C@@H](C)CC[NH3+])n1 87634778 572627903 /nfs/dbraw/zinc/62/79/03/572627903.db2.gz CBFBOPHNDMSXKK-ZETCQYMHSA-N 1 1 182.271 1.210 10 0 ADAEMO C[C@H](N)C[N@@H+]1CCC2(CC2)[C@H](C)C1 251743549 572627908 /nfs/dbraw/zinc/62/79/08/572627908.db2.gz KYWUKNSXWIMKIP-ZJUUUORDSA-N 1 1 182.311 1.456 10 0 ADAEMO CCCc1nnc([C@@H](C)CC[NH3+])[nH]1 87634778 572627909 /nfs/dbraw/zinc/62/79/09/572627909.db2.gz CBFBOPHNDMSXKK-ZETCQYMHSA-N 1 1 182.271 1.210 10 0 ADAEMO C[C@H](N)C[N@H+]1CCC2(CC2)[C@H](C)C1 251743549 572627912 /nfs/dbraw/zinc/62/79/12/572627912.db2.gz KYWUKNSXWIMKIP-ZJUUUORDSA-N 1 1 182.311 1.456 10 0 ADAEMO CC[NH2+]CC[C@H](C)N1CC=CC1 308078689 572628061 /nfs/dbraw/zinc/62/80/61/572628061.db2.gz HHVAPHCLWHHKOK-JTQLQIEISA-N 1 1 168.284 1.246 10 0 ADAEMO CC(C)C[N@H+]1CC[C@H](C)NC[C@@H]1C 251743671 572628191 /nfs/dbraw/zinc/62/81/91/572628191.db2.gz RPCHUEIYEDBERM-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)c1nnc([C@H](C)CC[NH3+])[nH]1 87634777 572628548 /nfs/dbraw/zinc/62/85/48/572628548.db2.gz PYXNIRUWQACXAW-SSDOTTSWSA-N 1 1 182.271 1.380 10 0 ADAEMO CC(C)c1nc([C@H](C)CC[NH3+])n[nH]1 87634777 572628551 /nfs/dbraw/zinc/62/85/51/572628551.db2.gz PYXNIRUWQACXAW-SSDOTTSWSA-N 1 1 182.271 1.380 10 0 ADAEMO C[C@H](CC[NH3+])c1n[nH]c(C2CC2)n1 87634781 572628719 /nfs/dbraw/zinc/62/87/19/572628719.db2.gz PGKSXEGARLTSPB-ZCFIWIBFSA-N 1 1 180.255 1.134 10 0 ADAEMO C[C@H](CC[NH3+])c1nc(C2CC2)n[nH]1 87634781 572628722 /nfs/dbraw/zinc/62/87/22/572628722.db2.gz PGKSXEGARLTSPB-ZCFIWIBFSA-N 1 1 180.255 1.134 10 0 ADAEMO CC[NH2+]CC[C@@H](C)N1CC=CC1 308078692 572629067 /nfs/dbraw/zinc/62/90/67/572629067.db2.gz HHVAPHCLWHHKOK-SNVBAGLBSA-N 1 1 168.284 1.246 10 0 ADAEMO COC(=O)C[NH2+]C(C)(C)C(C)C 238372220 572629184 /nfs/dbraw/zinc/62/91/84/572629184.db2.gz QQIOKTIFHWXJTD-UHFFFAOYSA-N 1 1 173.256 1.184 10 0 ADAEMO Cc1cc(C)cc([C@@H]([NH3+])CN)c1 49808723 572630454 /nfs/dbraw/zinc/63/04/54/572630454.db2.gz DLXZDIFFBWQUEW-JTQLQIEISA-N 1 1 164.252 1.262 10 0 ADAEMO Cc1cn2c(C)c(C=O)n(C)c2[nH+]1 74307534 572630788 /nfs/dbraw/zinc/63/07/88/572630788.db2.gz KUNXFRLKPKRFNO-UHFFFAOYSA-N 1 1 177.207 1.102 10 0 ADAEMO Cc1ccc(C)n1-c1[nH]cc(N)[nH+]1 74308003 572631335 /nfs/dbraw/zinc/63/13/35/572631335.db2.gz PSYDPSSPAKWQCG-UHFFFAOYSA-N 1 1 176.223 1.399 10 0 ADAEMO Cc1cc(C)cc([C@H]([NH3+])CN)c1 49808722 572631517 /nfs/dbraw/zinc/63/15/17/572631517.db2.gz DLXZDIFFBWQUEW-SNVBAGLBSA-N 1 1 164.252 1.262 10 0 ADAEMO CC[C@@H]([NH3+])c1cccc2nc[nH]c12 74308618 572631603 /nfs/dbraw/zinc/63/16/03/572631603.db2.gz FBJJVYHLZKZAFD-MRVPVSSYSA-N 1 1 175.235 1.973 10 0 ADAEMO Cc1[nH+]ccn1-c1coc(C=O)c1 74308356 572631999 /nfs/dbraw/zinc/63/19/99/572631999.db2.gz NHKHSCQQRWKHLR-UHFFFAOYSA-N 1 1 176.175 1.586 10 0 ADAEMO O=C1CC[N@H+]2CCCCC[C@@H]12 28546858 572632015 /nfs/dbraw/zinc/63/20/15/572632015.db2.gz FJJPIBOBFSKULM-QMMMGPOBSA-N 1 1 153.225 1.204 10 0 ADAEMO O=C1CC[N@H+]2CCCCC[C@H]12 28546857 572632160 /nfs/dbraw/zinc/63/21/60/572632160.db2.gz FJJPIBOBFSKULM-MRVPVSSYSA-N 1 1 153.225 1.204 10 0 ADAEMO CC[N@H+]1CC[C@@H](CC[C@H](C)O)C1 250358449 572632479 /nfs/dbraw/zinc/63/24/79/572632479.db2.gz SRNGFVZAGZEMFA-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@H]([NH3+])c1cccc2nc[nH]c12 74308615 572632535 /nfs/dbraw/zinc/63/25/35/572632535.db2.gz FBJJVYHLZKZAFD-QMMMGPOBSA-N 1 1 175.235 1.973 10 0 ADAEMO Cc1[nH]c(Cn2cccc2)[nH+]c1N 74308008 572632635 /nfs/dbraw/zinc/63/26/35/572632635.db2.gz WFCRXGYPMIRQQL-UHFFFAOYSA-N 1 1 176.223 1.150 10 0 ADAEMO Cc1[nH+]ccn1-c1ccc(C=O)o1 74308353 572632680 /nfs/dbraw/zinc/63/26/80/572632680.db2.gz CBRRCKNPXHBLDQ-UHFFFAOYSA-N 1 1 176.175 1.586 10 0 ADAEMO Cc1ccnc(-n2cc[nH+]c2C)c1N 70063053 572633467 /nfs/dbraw/zinc/63/34/67/572633467.db2.gz KRAOCCPXALLAHM-UHFFFAOYSA-N 1 1 188.234 1.466 10 0 ADAEMO Cc1[nH+]ccn1-c1cc(C=O)c[nH]1 74308891 572633430 /nfs/dbraw/zinc/63/34/30/572633430.db2.gz LMJPBALVPTZTJH-UHFFFAOYSA-N 1 1 175.191 1.321 10 0 ADAEMO Cc1[nH+]c(N)cn1-c1cccnc1 74309185 572633564 /nfs/dbraw/zinc/63/35/64/572633564.db2.gz PCVINSZQQLMBOH-UHFFFAOYSA-N 1 1 174.207 1.158 10 0 ADAEMO CSCC[C@]1(CO)CC[N@@H+](C)C1 238367968 572633727 /nfs/dbraw/zinc/63/37/27/572633727.db2.gz FSPPOTFFMUZCGV-SECBINFHSA-N 1 1 189.324 1.054 10 0 ADAEMO C/C=C/C[N@H+]1CCCC[C@H]1CO 48065575 572633922 /nfs/dbraw/zinc/63/39/22/572633922.db2.gz DIMMBPSSQMCUNF-PBKGFPTLSA-N 1 1 169.268 1.409 10 0 ADAEMO CN(C/C=C/C[NH3+])Cc1cccnc1 85054812 572633939 /nfs/dbraw/zinc/63/39/39/572633939.db2.gz ORCBDEZEGCMSKA-NSCUHMNNSA-N 1 1 191.278 1.028 10 0 ADAEMO CC[C@@H]1CO[C@@H](C)CN1C/C=C/C[NH3+] 85054878 572634089 /nfs/dbraw/zinc/63/40/89/572634089.db2.gz NICIJAQPWGYHPT-BXXZLRJFSA-N 1 1 198.310 1.001 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@H](O)CC[C@@H]12 251762558 572634123 /nfs/dbraw/zinc/63/41/23/572634123.db2.gz UGOMRPRHFKCAIW-KXNHARMFSA-N 1 1 197.322 1.735 10 0 ADAEMO [NH3+]C1CC(NCCc2cccs2)C1 87651135 572634223 /nfs/dbraw/zinc/63/42/23/572634223.db2.gz NNFPIZHAEHOXCC-UHFFFAOYSA-N 1 1 196.319 1.370 10 0 ADAEMO CC/C=C(/CCC)[C@H]([NH3+])C(=O)OC 308081662 572634335 /nfs/dbraw/zinc/63/43/35/572634335.db2.gz QYRZQSZTRNTMTB-XZLDQRQTSA-N 1 1 185.267 1.623 10 0 ADAEMO Cc1c[nH+]c(N)nc1-n1cccc1 74309250 572635286 /nfs/dbraw/zinc/63/52/86/572635286.db2.gz HWEKOEZXKPRBLM-UHFFFAOYSA-N 1 1 174.207 1.158 10 0 ADAEMO CN(C/C=C/C[NH3+])Cc1ccco1 85054802 572634478 /nfs/dbraw/zinc/63/44/78/572634478.db2.gz WLHJTWBJYOOFQN-NSCUHMNNSA-N 1 1 180.251 1.226 10 0 ADAEMO CC(C)[C@@H](C)[C@H](C[NH3+])N1CCC1 308081308 572634485 /nfs/dbraw/zinc/63/44/85/572634485.db2.gz JIDVEBITYMIXFP-ZJUUUORDSA-N 1 1 170.300 1.312 10 0 ADAEMO OCCCC[N@H+]1CCC[C@@H]2C[C@@H]21 308080135 572634582 /nfs/dbraw/zinc/63/45/82/572634582.db2.gz IKNQMVDLEWWCRW-ZJUUUORDSA-N 1 1 169.268 1.243 10 0 ADAEMO C[C@@H]1CCC[C@H]1Nc1nnc(C[NH3+])o1 235272982 572634697 /nfs/dbraw/zinc/63/46/97/572634697.db2.gz XULXDCGQJCBHEU-RNFRBKRXSA-N 1 1 196.254 1.129 10 0 ADAEMO C/C=C/C[N@H+]1CCCC[C@@H]1CO 48065574 572634724 /nfs/dbraw/zinc/63/47/24/572634724.db2.gz DIMMBPSSQMCUNF-VMZHVLLKSA-N 1 1 169.268 1.409 10 0 ADAEMO CN(C/C=C/C[NH3+])Cc1ccccn1 85054814 572634862 /nfs/dbraw/zinc/63/48/62/572634862.db2.gz BRSZPDCVGDNKRM-HWKANZROSA-N 1 1 191.278 1.028 10 0 ADAEMO C[N@@H+](CCCCCO)C(C)(C)C 197965489 572634865 /nfs/dbraw/zinc/63/48/65/572634865.db2.gz HIHCHXVCMAZILB-UHFFFAOYSA-N 1 1 173.300 1.879 10 0 ADAEMO CC(C)[C@H](C)[C@H](C[NH3+])N1CCC1 308081306 572635208 /nfs/dbraw/zinc/63/52/08/572635208.db2.gz JIDVEBITYMIXFP-UWVGGRQHSA-N 1 1 170.300 1.312 10 0 ADAEMO CC/C=C(/CCC)[C@@H]([NH3+])C(=O)OC 308081661 572635624 /nfs/dbraw/zinc/63/56/24/572635624.db2.gz QYRZQSZTRNTMTB-JGAIRUGNSA-N 1 1 185.267 1.623 10 0 ADAEMO Cc1[nH+]c(N)cn1-c1ccccn1 74309183 572635744 /nfs/dbraw/zinc/63/57/44/572635744.db2.gz BTOXANRTGIYZPA-UHFFFAOYSA-N 1 1 174.207 1.158 10 0 ADAEMO FC(F)C[NH2+]CCCOCC1CC1 236117606 572635820 /nfs/dbraw/zinc/63/58/20/572635820.db2.gz YHNSAHIVIKGBLA-UHFFFAOYSA-N 1 1 193.237 1.658 10 0 ADAEMO CC[C@@H]1[C@H]2[NH2+]CC[C@@H]2CCN1C(C)C 251761760 572637044 /nfs/dbraw/zinc/63/70/44/572637044.db2.gz VIJWKNSRULBDRB-UTUOFQBUSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@@H](C)[C@@H](C[NH3+])N1CCC1 308081305 572636251 /nfs/dbraw/zinc/63/62/51/572636251.db2.gz JIDVEBITYMIXFP-NXEZZACHSA-N 1 1 170.300 1.312 10 0 ADAEMO CC[C@@H]1CO[C@H](C)CN1C/C=C/C[NH3+] 85054876 572636314 /nfs/dbraw/zinc/63/63/14/572636314.db2.gz NICIJAQPWGYHPT-XKFHPXPTSA-N 1 1 198.310 1.001 10 0 ADAEMO Cc1[nH+]ccn1-c1ccc(C=O)[nH]1 74308893 572636346 /nfs/dbraw/zinc/63/63/46/572636346.db2.gz YVWYBPKBNFUEAV-UHFFFAOYSA-N 1 1 175.191 1.321 10 0 ADAEMO Cc1occc1CN(C)C/C=C/C[NH3+] 85054875 572636392 /nfs/dbraw/zinc/63/63/92/572636392.db2.gz BOPVNUFSTKWKKH-ONEGZZNKSA-N 1 1 194.278 1.535 10 0 ADAEMO CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CCN1C(C)C 251761758 572636432 /nfs/dbraw/zinc/63/64/32/572636432.db2.gz VIJWKNSRULBDRB-IJLUTSLNSA-N 1 1 196.338 1.857 10 0 ADAEMO CN(C/C=C/C[NH3+])Cc1ccncc1 85054813 572637065 /nfs/dbraw/zinc/63/70/65/572637065.db2.gz PNEAKSHMDGKAST-NSCUHMNNSA-N 1 1 191.278 1.028 10 0 ADAEMO CC(C)[C@H](C)[C@@H](C[NH3+])N1CCC1 308081307 572636828 /nfs/dbraw/zinc/63/68/28/572636828.db2.gz JIDVEBITYMIXFP-VHSXEESVSA-N 1 1 170.300 1.312 10 0 ADAEMO Cc1cc([C@@H]([NH3+])CN)cc(C)c1Cl 72200542 572636995 /nfs/dbraw/zinc/63/69/95/572636995.db2.gz WOZNNYNQFZIUEF-VIFPVBQESA-N 1 1 198.697 1.915 10 0 ADAEMO CC(C)C[N@H+](C(C)C)C1CC(N)C1 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180.295 1.351 10 0 ADAEMO NC1CC([N@@H+](CC2CC2)C2CC2)C1 87653593 572640984 /nfs/dbraw/zinc/64/09/84/572640984.db2.gz OONOIMBJPVSJMO-UHFFFAOYSA-N 1 1 180.295 1.351 10 0 ADAEMO COC[C@@H]([NH3+])C(F)(F)C(F)(F)F 238374255 572641036 /nfs/dbraw/zinc/64/10/36/572641036.db2.gz FUTXIANYRUGWKY-GSVOUGTGSA-N 1 1 193.115 1.158 10 0 ADAEMO CN(C/C=C/C[NH3+])CCC(F)(F)F 85055220 572641135 /nfs/dbraw/zinc/64/11/35/572641135.db2.gz PXVGKPBLBUCDLN-NSCUHMNNSA-N 1 1 196.216 1.386 10 0 ADAEMO CC[C@H](C)[N@H+]1CCC[C@@H](CON)C1 251787086 572641511 /nfs/dbraw/zinc/64/15/11/572641511.db2.gz JOHAAUIJNPNWJR-VHSXEESVSA-N 1 1 186.299 1.387 10 0 ADAEMO CC[C@@H](C)C[N@H+](CC)C1CC(N)C1 87653645 572641545 /nfs/dbraw/zinc/64/15/45/572641545.db2.gz IGENNWYVZPRROP-KPPDAEKUSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@H](C)C[N@@H+](CC)C1CC(N)C1 87653645 572641551 /nfs/dbraw/zinc/64/15/51/572641551.db2.gz IGENNWYVZPRROP-KPPDAEKUSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@H]1C[C@]1(N)[C@H]1CCCC[N@H+]1C 251780368 572641649 /nfs/dbraw/zinc/64/16/49/572641649.db2.gz WRUGLVKCPFPIFD-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@H]1C[C@]1([NH3+])[C@H]1CCCCN1C 251780368 572641652 /nfs/dbraw/zinc/64/16/52/572641652.db2.gz WRUGLVKCPFPIFD-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CN1C(C)C 251795350 572641823 /nfs/dbraw/zinc/64/18/23/572641823.db2.gz XSLABPBVYIMOOF-GMTAPVOTSA-N 1 1 182.311 1.467 10 0 ADAEMO CC[C@@H]1C[C@@]1(N)[C@H]1CCCC[N@H+]1C 251780369 572641837 /nfs/dbraw/zinc/64/18/37/572641837.db2.gz WRUGLVKCPFPIFD-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@H]1C[C@@]1([NH3+])[C@H]1CCCCN1C 251780369 572641843 /nfs/dbraw/zinc/64/18/43/572641843.db2.gz WRUGLVKCPFPIFD-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@H]1NC[C@@H]2CCCC[N@@H+]2[C@@H]1C 251778542 572642029 /nfs/dbraw/zinc/64/20/29/572642029.db2.gz WPZVLLUHEIMFQA-VWYCJHECSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1NC[C@@H]2CCCC[N@H+]2[C@@H]1C 251778542 572642041 /nfs/dbraw/zinc/64/20/41/572642041.db2.gz WPZVLLUHEIMFQA-VWYCJHECSA-N 1 1 182.311 1.611 10 0 ADAEMO CCN(C)CCN1CCCC1=[NH2+] 54127765 572642097 /nfs/dbraw/zinc/64/20/97/572642097.db2.gz JTSNWCLLTCLRMN-UHFFFAOYSA-N 1 1 169.272 1.011 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)[C@@H]2CC[C@H](O)C[C@H]2C1 251810640 572642115 /nfs/dbraw/zinc/64/21/15/572642115.db2.gz YUQADJRURBPRCH-WISYIIOYSA-N 1 1 197.322 1.878 10 0 ADAEMO CC[NH2+]C[C@H](C)[C@@H](N)c1ccccc1 87645750 572642175 /nfs/dbraw/zinc/64/21/75/572642175.db2.gz FUUAVPYIOPKBAC-CMPLNLGQSA-N 1 1 192.306 1.932 10 0 ADAEMO CCCC1CN(C[C@H]2CC[NH2+]C2)C1 87655468 572642180 /nfs/dbraw/zinc/64/21/80/572642180.db2.gz JLORAIMXNQBWKS-JTQLQIEISA-N 1 1 182.311 1.328 10 0 ADAEMO CSC[C@H](C)[N@H+]1CCC[C@@H]1CN 238373367 572642211 /nfs/dbraw/zinc/64/22/11/572642211.db2.gz MSGUDAFBLPYYMT-DTWKUNHWSA-N 1 1 188.340 1.161 10 0 ADAEMO CC[N@H+](CC1CC1)C1CC(N)C1 87653571 572642213 /nfs/dbraw/zinc/64/22/13/572642213.db2.gz XBACUGDBJRHJHP-UHFFFAOYSA-N 1 1 168.284 1.208 10 0 ADAEMO CC[N@@H+](CC1CC1)C1CC(N)C1 87653571 572642215 /nfs/dbraw/zinc/64/22/15/572642215.db2.gz XBACUGDBJRHJHP-UHFFFAOYSA-N 1 1 168.284 1.208 10 0 ADAEMO CSC[C@H](C)N1CCC[C@@H]1C[NH3+] 238373367 572642219 /nfs/dbraw/zinc/64/22/19/572642219.db2.gz MSGUDAFBLPYYMT-DTWKUNHWSA-N 1 1 188.340 1.161 10 0 ADAEMO COC(=O)C1([NH2+]C(C)(C)C)CCCC1 238374242 572642303 /nfs/dbraw/zinc/64/23/03/572642303.db2.gz JRXVYICXIAMTAG-UHFFFAOYSA-N 1 1 199.294 1.860 10 0 ADAEMO CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CCN1C(C)C 251784662 572642321 /nfs/dbraw/zinc/64/23/21/572642321.db2.gz XBDVVYVCZOTBSN-IJLUTSLNSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@@H]1[C@H]2C[NH2+]C[C@H]2CCN1C(C)C 251784660 572642513 /nfs/dbraw/zinc/64/25/13/572642513.db2.gz XBDVVYVCZOTBSN-GRYCIOLGSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)[C@@H]2CC[C@@H](O)C[C@H]2C1 251810636 572642618 /nfs/dbraw/zinc/64/26/18/572642618.db2.gz YUQADJRURBPRCH-DDHJBXDOSA-N 1 1 197.322 1.878 10 0 ADAEMO C[C@H](CC(N)=S)[N@@H+](C)C1CC1 48248513 572642650 /nfs/dbraw/zinc/64/26/50/572642650.db2.gz HVAGLZNBKZDMKE-ZCFIWIBFSA-N 1 1 172.297 1.145 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)[C@@H]2CC[C@@H](O)C[C@@H]2C1 251810643 572642857 /nfs/dbraw/zinc/64/28/57/572642857.db2.gz YUQADJRURBPRCH-WRWGMCAJSA-N 1 1 197.322 1.878 10 0 ADAEMO CCC[C@@](C)(O)Cc1[nH+]ccn1CC 87648470 572642930 /nfs/dbraw/zinc/64/29/30/572642930.db2.gz XTUDUUVFFBZPQA-LLVKDONJSA-N 1 1 196.294 1.997 10 0 ADAEMO CCCCC[C@](C)([NH2+]C)C(=O)OC 87648705 572643282 /nfs/dbraw/zinc/64/32/82/572643282.db2.gz HRKXOILIOLKSNC-JTQLQIEISA-N 1 1 187.283 1.718 10 0 ADAEMO CC[C@@H]1[C@H]2[NH2+]CC[C@@H]2CN1C1CC1 251790892 572643289 /nfs/dbraw/zinc/64/32/89/572643289.db2.gz XLHSHVIBWKKRRQ-IEBDPFPHSA-N 1 1 180.295 1.221 10 0 ADAEMO CCC[C@](C)(O)Cc1cc[nH+]c(N)c1 87649447 572643332 /nfs/dbraw/zinc/64/33/32/572643332.db2.gz OSFYSLRGNYHLNI-NSHDSACASA-N 1 1 194.278 1.757 10 0 ADAEMO CC(C)[N@@H+](C)[C@H](C)CC(N)=S 48248325 572643343 /nfs/dbraw/zinc/64/33/43/572643343.db2.gz JJYYHADVYHRSIS-SSDOTTSWSA-N 1 1 174.313 1.391 10 0 ADAEMO CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CN1C1CC1 251790889 572644263 /nfs/dbraw/zinc/64/42/63/572644263.db2.gz XLHSHVIBWKKRRQ-FBIMIBRVSA-N 1 1 180.295 1.221 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCC[C@@H](CON)C1 251787083 572644359 /nfs/dbraw/zinc/64/43/59/572644359.db2.gz JOHAAUIJNPNWJR-NXEZZACHSA-N 1 1 186.299 1.387 10 0 ADAEMO CC[C@@H]1NC[C@@H]2CCCC[N@@H+]2[C@H]1C 251778541 572644413 /nfs/dbraw/zinc/64/44/13/572644413.db2.gz WPZVLLUHEIMFQA-DCAQKATOSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1NC[C@@H]2CCCC[N@H+]2[C@H]1C 251778541 572644417 /nfs/dbraw/zinc/64/44/17/572644417.db2.gz WPZVLLUHEIMFQA-DCAQKATOSA-N 1 1 182.311 1.611 10 0 ADAEMO CCCCC[C@@H](C)[N@@H+](C)CCN 87649119 572644476 /nfs/dbraw/zinc/64/44/76/572644476.db2.gz ZRUGRQHGPQARLE-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CCCCC[C@@H](C)N(C)CC[NH3+] 87649119 572644479 /nfs/dbraw/zinc/64/44/79/572644479.db2.gz ZRUGRQHGPQARLE-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CCC[C@@](C)(O)Cc1cc[nH+]c(N)c1 87649448 572644491 /nfs/dbraw/zinc/64/44/91/572644491.db2.gz OSFYSLRGNYHLNI-LLVKDONJSA-N 1 1 194.278 1.757 10 0 ADAEMO CCC[C@@](C)(O)Cc1ccc[nH+]c1N 87649354 572644496 /nfs/dbraw/zinc/64/44/96/572644496.db2.gz ZQXWIBOPHQWXRY-LLVKDONJSA-N 1 1 194.278 1.757 10 0 ADAEMO CCCCC[C@H](C)[N@@H+](C)CCN 87649120 572644588 /nfs/dbraw/zinc/64/45/88/572644588.db2.gz ZRUGRQHGPQARLE-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CCCCC[C@H](C)N(C)CC[NH3+] 87649120 572644594 /nfs/dbraw/zinc/64/45/94/572644594.db2.gz ZRUGRQHGPQARLE-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CCC[C@@](C)(O)Cc1[nH+]ccn1C 87648618 572644992 /nfs/dbraw/zinc/64/49/92/572644992.db2.gz RDNYLIXVNROTJU-SNVBAGLBSA-N 1 1 182.267 1.514 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H](C)CC(N)=S 48248321 572645220 /nfs/dbraw/zinc/64/52/20/572645220.db2.gz JJYYHADVYHRSIS-ZETCQYMHSA-N 1 1 174.313 1.391 10 0 ADAEMO Cc1[nH+]ccn1[C@H](C)CC(N)=S 48248915 572645258 /nfs/dbraw/zinc/64/52/58/572645258.db2.gz IHSXRUDUWRWSBK-ZCFIWIBFSA-N 1 1 183.280 1.429 10 0 ADAEMO CCCCC[C@@](C)([NH2+]C)C(=O)OC 87648706 572645378 /nfs/dbraw/zinc/64/53/78/572645378.db2.gz HRKXOILIOLKSNC-SNVBAGLBSA-N 1 1 187.283 1.718 10 0 ADAEMO CCC[C@](C)(O)Cc1[nH+]ccn1CC 87648469 572645384 /nfs/dbraw/zinc/64/53/84/572645384.db2.gz XTUDUUVFFBZPQA-NSHDSACASA-N 1 1 196.294 1.997 10 0 ADAEMO Cc1[nH+]ccn1[C@@H](C)CC(N)=S 48248912 572645479 /nfs/dbraw/zinc/64/54/79/572645479.db2.gz IHSXRUDUWRWSBK-LURJTMIESA-N 1 1 183.280 1.429 10 0 ADAEMO CCC[C@](C)(O)Cc1ccc[nH+]c1N 87649353 572645605 /nfs/dbraw/zinc/64/56/05/572645605.db2.gz ZQXWIBOPHQWXRY-NSHDSACASA-N 1 1 194.278 1.757 10 0 ADAEMO CC[C@@H](CC(C)C)C[N@@H+](C)CCN 308085683 572645955 /nfs/dbraw/zinc/64/59/55/572645955.db2.gz VPIXHIRQXYAKBV-NSHDSACASA-N 1 1 186.343 1.949 10 0 ADAEMO CC[C@@H](CC(C)C)CN(C)CC[NH3+] 308085683 572645960 /nfs/dbraw/zinc/64/59/60/572645960.db2.gz VPIXHIRQXYAKBV-NSHDSACASA-N 1 1 186.343 1.949 10 0 ADAEMO C/C=C\C[N@@H+](C)C1(CO)CCC1 308085057 572646032 /nfs/dbraw/zinc/64/60/32/572646032.db2.gz MZYMNUWIBRFTLE-ARJAWSKDSA-N 1 1 169.268 1.409 10 0 ADAEMO CC[C@H](CC(C)C)C[N@@H+](C)CCN 308085682 572646233 /nfs/dbraw/zinc/64/62/33/572646233.db2.gz VPIXHIRQXYAKBV-LLVKDONJSA-N 1 1 186.343 1.949 10 0 ADAEMO CC[C@H](CC(C)C)CN(C)CC[NH3+] 308085682 572646236 /nfs/dbraw/zinc/64/62/36/572646236.db2.gz VPIXHIRQXYAKBV-LLVKDONJSA-N 1 1 186.343 1.949 10 0 ADAEMO CCC[C@](C)(O)Cc1[nH+]ccn1C 87648617 572646174 /nfs/dbraw/zinc/64/61/74/572646174.db2.gz RDNYLIXVNROTJU-JTQLQIEISA-N 1 1 182.267 1.514 10 0 ADAEMO CCC[C@H](C)[N@@H+](CC)[C@H](C)CO 308085433 572646381 /nfs/dbraw/zinc/64/63/81/572646381.db2.gz NHSWNVBEBGARPN-VHSXEESVSA-N 1 1 173.300 1.878 10 0 ADAEMO C/C=C/C[N@@H+](C)C1(CO)CCC1 308085058 572646498 /nfs/dbraw/zinc/64/64/98/572646498.db2.gz MZYMNUWIBRFTLE-ONEGZZNKSA-N 1 1 169.268 1.409 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)C[C@@H]2CC(=O)CC[C@H]12 251816931 572646667 /nfs/dbraw/zinc/64/66/67/572646667.db2.gz ZJKQPRRSJXXRLY-JFGNBEQYSA-N 1 1 195.306 1.943 10 0 ADAEMO CC[N@H+]1CCC[C@H](C[C@H](C)CO)C1 250362780 572646796 /nfs/dbraw/zinc/64/67/96/572646796.db2.gz UGIAVWGCVDJMKY-WDEREUQCSA-N 1 1 185.311 1.737 10 0 ADAEMO C/C=C/Cn1cc[nH+]c1C 70162752 572646939 /nfs/dbraw/zinc/64/69/39/572646939.db2.gz XBZAFVVXEIYVIQ-ONEGZZNKSA-N 1 1 136.198 1.768 10 0 ADAEMO CCCCC[C@@]1(C)COC(N)=[NH+]1 87649934 572646951 /nfs/dbraw/zinc/64/69/51/572646951.db2.gz RVMYZASSBYHDHB-VIFPVBQESA-N 1 1 170.256 1.670 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)C[C@@H]2CC(=O)CC[C@@H]12 251816933 572646956 /nfs/dbraw/zinc/64/69/56/572646956.db2.gz ZJKQPRRSJXXRLY-SCVCMEIPSA-N 1 1 195.306 1.943 10 0 ADAEMO C[C@H](CN)[N@@H+]1CCC2(CC2)[C@@H](C)C1 251819486 572647160 /nfs/dbraw/zinc/64/71/60/572647160.db2.gz OWVQWFPGPAQDKG-VHSXEESVSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H](CN)[N@H+]1CCC2(CC2)[C@@H](C)C1 251819486 572647163 /nfs/dbraw/zinc/64/71/63/572647163.db2.gz OWVQWFPGPAQDKG-VHSXEESVSA-N 1 1 182.311 1.456 10 0 ADAEMO CCCCC[C@]1(C)COC(N)=[NH+]1 87649933 572647172 /nfs/dbraw/zinc/64/71/72/572647172.db2.gz RVMYZASSBYHDHB-SECBINFHSA-N 1 1 170.256 1.670 10 0 ADAEMO CC[C@@H](CC(C)C)C[N@@H+](C)CCO 308085746 572647286 /nfs/dbraw/zinc/64/72/86/572647286.db2.gz VYDFZSSYJHZNFN-NSHDSACASA-N 1 1 187.327 1.983 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)C[C@H]2CC(=O)CC[C@H]21 251816929 572647363 /nfs/dbraw/zinc/64/73/63/572647363.db2.gz ZJKQPRRSJXXRLY-FOGDFJRCSA-N 1 1 195.306 1.943 10 0 ADAEMO CSC[C@H](C)[NH2+][C@@H](C)[C@@H](C)N 307852213 572647374 /nfs/dbraw/zinc/64/73/74/572647374.db2.gz BTTOQDNQHNGWCP-RNJXMRFFSA-N 1 1 176.329 1.063 10 0 ADAEMO CC[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](NC)C1 251956325 572647467 /nfs/dbraw/zinc/64/74/67/572647467.db2.gz VDCYRRLKDXJECJ-OUAUKWLOSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](C)C[C@@H](NC)C1 251956325 572647470 /nfs/dbraw/zinc/64/74/70/572647470.db2.gz VDCYRRLKDXJECJ-OUAUKWLOSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)CN)CCC12CC2 251819482 572647690 /nfs/dbraw/zinc/64/76/90/572647690.db2.gz OWVQWFPGPAQDKG-NXEZZACHSA-N 1 1 182.311 1.456 10 0 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CCN1[C@H](C)CC[NH2+]C[C@H]1C 250243694 572656294 /nfs/dbraw/zinc/65/62/94/572656294.db2.gz HTBJGXZFPFLMPD-RKDXNWHRSA-N 1 1 156.273 1.079 10 0 ADAEMO Cc1nc(C[NH3+])oc1CC(C)C 74333404 572656474 /nfs/dbraw/zinc/65/64/74/572656474.db2.gz HAAWKVQDAFVZAY-UHFFFAOYSA-N 1 1 168.240 1.640 10 0 ADAEMO C[C@@H]1CN(C)C[C@@H]2CCCC[C@H]2[NH2+]1 251898445 572656638 /nfs/dbraw/zinc/65/66/38/572656638.db2.gz WFDHDDXEXFYNDK-OUAUKWLOSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC/C=C/C[N@@H+](C)CCO 307861785 572656690 /nfs/dbraw/zinc/65/66/90/572656690.db2.gz HIBXPPSHSGZSQI-AATRIKPKSA-N 1 1 157.257 1.267 10 0 ADAEMO C[NH+](C)Cc1sccc1C=O 74331192 572657612 /nfs/dbraw/zinc/65/76/12/572657612.db2.gz RWJWMSANVPJMSR-UHFFFAOYSA-N 1 1 169.249 1.622 10 0 ADAEMO CCC/C=C\C[N@@H+](C)CCO 307861786 572656902 /nfs/dbraw/zinc/65/69/02/572656902.db2.gz HIBXPPSHSGZSQI-WAYWQWQTSA-N 1 1 157.257 1.267 10 0 ADAEMO CC[N@@H+](CCCF)C[C@@H](C)O 307861050 572656984 /nfs/dbraw/zinc/65/69/84/572656984.db2.gz GUHPJOSTJRURAQ-MRVPVSSYSA-N 1 1 163.236 1.049 10 0 ADAEMO CN1CCC[C@H]([NH3+])[C@@H]1CC1CC1 74332694 572657619 /nfs/dbraw/zinc/65/76/19/572657619.db2.gz ZWINYVGYTGHNGD-UWVGGRQHSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@@H+]1CCC[C@H](N)[C@@H]1CC1CC1 74332694 572657620 /nfs/dbraw/zinc/65/76/20/572657620.db2.gz ZWINYVGYTGHNGD-UWVGGRQHSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]([NH3+])C1(N2CCCCC2)CC1 74332647 572657075 /nfs/dbraw/zinc/65/70/75/572657075.db2.gz WNIIWIJTXNYLBN-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@H](N)C1([NH+]2CCCCC2)CC1 74332647 572657078 /nfs/dbraw/zinc/65/70/78/572657078.db2.gz WNIIWIJTXNYLBN-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO C[N@H+]1CCC[C@H](N)[C@@H]1CC1CC1 74332694 572657622 /nfs/dbraw/zinc/65/76/22/572657622.db2.gz ZWINYVGYTGHNGD-UWVGGRQHSA-N 1 1 168.284 1.208 10 0 ADAEMO CC(C)Cc1cn[nH]c1CC[NH3+] 74335479 572659400 /nfs/dbraw/zinc/65/94/00/572659400.db2.gz ITWHNBUDUYYXTK-UHFFFAOYSA-N 1 1 167.256 1.109 10 0 ADAEMO CC(=O)[C@@H](C)[N@@H+](C)CCC1CC1 308086584 572657986 /nfs/dbraw/zinc/65/79/86/572657986.db2.gz OVHCTNLATAMNPM-MRVPVSSYSA-N 1 1 169.268 1.696 10 0 ADAEMO CCCC[C@@H](C)[N@@H+](C)CCN 307859211 572658011 /nfs/dbraw/zinc/65/80/11/572658011.db2.gz FHAYNQRGYMMWRO-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCCC[C@@H](C)N(C)CC[NH3+] 307859211 572658016 /nfs/dbraw/zinc/65/80/16/572658016.db2.gz FHAYNQRGYMMWRO-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO C[NH+](C)Cc1cc(C=O)cs1 74331187 572658280 /nfs/dbraw/zinc/65/82/80/572658280.db2.gz CSLQIKQONIJSFI-UHFFFAOYSA-N 1 1 169.249 1.622 10 0 ADAEMO CCCC[C@H](C)[N@@H+](C)CCN 307859212 572658332 /nfs/dbraw/zinc/65/83/32/572658332.db2.gz FHAYNQRGYMMWRO-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CCCC[C@H](C)N(C)CC[NH3+] 307859212 572658336 /nfs/dbraw/zinc/65/83/36/572658336.db2.gz FHAYNQRGYMMWRO-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CC[C@H]1C[N@H+](CCN)C[C@@H](C)C12CC2 251915759 572658421 /nfs/dbraw/zinc/65/84/21/572658421.db2.gz YBITZMHKGBAVSU-MNOVXSKESA-N 1 1 196.338 1.703 10 0 ADAEMO CC[C@H]1C[N@@H+](CCN)C[C@@H](C)C12CC2 251915759 572658427 /nfs/dbraw/zinc/65/84/27/572658427.db2.gz YBITZMHKGBAVSU-MNOVXSKESA-N 1 1 196.338 1.703 10 0 ADAEMO C[C@@H]1CN(C)C[C@H]2CCCC[C@@H]2[NH2+]1 251898443 572658468 /nfs/dbraw/zinc/65/84/68/572658468.db2.gz WFDHDDXEXFYNDK-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO Cc1nc(C[NH3+])oc1C(C)(C)C 74333354 572658521 /nfs/dbraw/zinc/65/85/21/572658521.db2.gz IIBXWTYAIGFWNH-UHFFFAOYSA-N 1 1 168.240 1.739 10 0 ADAEMO CC[C@H](F)C[N@@H+](C)CCOC 307859118 572658538 /nfs/dbraw/zinc/65/85/38/572658538.db2.gz FAQJCVRPZHDEKK-QMMMGPOBSA-N 1 1 163.236 1.313 10 0 ADAEMO CCC[C@@H]([NH3+])[C@H](C)c1ccn[nH]1 74335256 572659554 /nfs/dbraw/zinc/65/95/54/572659554.db2.gz AARHJBCTGSKCQI-JGVFFNPUSA-N 1 1 167.256 1.641 10 0 ADAEMO C[C@H](F)CC[N@@H+](C)[C@@H](C)CO 307858349 572658823 /nfs/dbraw/zinc/65/88/23/572658823.db2.gz FMHDNMFTCORJJR-YUMQZZPRSA-N 1 1 163.236 1.047 10 0 ADAEMO C[C@@H]([NH3+])c1ncc(-c2cncn2C)o1 235187872 572658869 /nfs/dbraw/zinc/65/88/69/572658869.db2.gz IXLQWQGRTSNNJH-ZCFIWIBFSA-N 1 1 192.222 1.095 10 0 ADAEMO CCCCC[N@H+]1CC[C@H](C)[C@H](O)C1 299891684 572658975 /nfs/dbraw/zinc/65/89/75/572658975.db2.gz ZFQNLYGMZSWJDU-WDEREUQCSA-N 1 1 185.311 1.879 10 0 ADAEMO Cc1cc([C@H]([NH3+])CC(C)C)n[nH]1 74335453 572659133 /nfs/dbraw/zinc/65/91/33/572659133.db2.gz BMZQDNSSROTJAZ-MRVPVSSYSA-N 1 1 167.256 1.764 10 0 ADAEMO CCCCC[N@H+]1CC[C@@H](C)[C@H](O)C1 299891683 572659152 /nfs/dbraw/zinc/65/91/52/572659152.db2.gz ZFQNLYGMZSWJDU-GHMZBOCLSA-N 1 1 185.311 1.879 10 0 ADAEMO Cc1coc(C[NH+](C)C)c1C=O 74336584 572659590 /nfs/dbraw/zinc/65/95/90/572659590.db2.gz CGBPJZCEWOXPDP-UHFFFAOYSA-N 1 1 167.208 1.462 10 0 ADAEMO CC(C)(C)C[C@H]([NH3+])c1cnc[nH]1 74335166 572659258 /nfs/dbraw/zinc/65/92/58/572659258.db2.gz MIUJUXDAFFNUFU-ZETCQYMHSA-N 1 1 167.256 1.846 10 0 ADAEMO CC[C@@H](C)[C@H]([NH3+])c1cn[nH]c1C 74335088 572659797 /nfs/dbraw/zinc/65/97/97/572659797.db2.gz SGSXXQQBLDQOOS-MUWHJKNJSA-N 1 1 167.256 1.764 10 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/nfs/dbraw/zinc/66/02/74/572660274.db2.gz SGSXXQQBLDQOOS-HZGVNTEJSA-N 1 1 167.256 1.764 10 0 ADAEMO CCCCCC[N@@H+](C)CCCO 116084389 572660277 /nfs/dbraw/zinc/66/02/77/572660277.db2.gz FRMOQNDPYJBRFY-UHFFFAOYSA-N 1 1 173.300 1.881 10 0 ADAEMO C/C=C/CC[NH2+]CC[NH2+]C(C)(C)C 230976199 572660340 /nfs/dbraw/zinc/66/03/40/572660340.db2.gz HJBIXPQYZCIOKB-AATRIKPKSA-N 1 1 184.327 1.930 10 0 ADAEMO C/C=C/CC[NH2+]CCNC(C)(C)C 230976199 572660344 /nfs/dbraw/zinc/66/03/44/572660344.db2.gz HJBIXPQYZCIOKB-AATRIKPKSA-N 1 1 184.327 1.930 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1C[C@H](C)CO 250249110 572660357 /nfs/dbraw/zinc/66/03/57/572660357.db2.gz IIVZHNVPPDYZIR-WDEREUQCSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[C@H]([NH3+])[C@H](C)c1ccn[nH]1 74335250 572660408 /nfs/dbraw/zinc/66/04/08/572660408.db2.gz AARHJBCTGSKCQI-YUMQZZPRSA-N 1 1 167.256 1.641 10 0 ADAEMO CC[C@H](C)[C@@H]([NH3+])c1cn[nH]c1C 74335100 572660600 /nfs/dbraw/zinc/66/06/00/572660600.db2.gz SGSXXQQBLDQOOS-IMTBSYHQSA-N 1 1 167.256 1.764 10 0 ADAEMO Cc1cc(C[NH+](C)C)oc1C=O 74336576 572660612 /nfs/dbraw/zinc/66/06/12/572660612.db2.gz GMXDGQWXQZCXRL-UHFFFAOYSA-N 1 1 167.208 1.462 10 0 ADAEMO Cc1cc(C[C@H]([NH3+])C(C)C)n[nH]1 74335315 572660730 /nfs/dbraw/zinc/66/07/30/572660730.db2.gz UDCZZHVSTALACK-VIFPVBQESA-N 1 1 167.256 1.244 10 0 ADAEMO Cc1cc(C[NH+](C)C)c(C=O)o1 74336587 572660866 /nfs/dbraw/zinc/66/08/66/572660866.db2.gz BPJADWWRYQCVET-UHFFFAOYSA-N 1 1 167.208 1.462 10 0 ADAEMO Cc1cc(CCCCC[NH3+])[nH]n1 74335399 572660890 /nfs/dbraw/zinc/66/08/90/572660890.db2.gz FMZQNHHDANCSKB-UHFFFAOYSA-N 1 1 167.256 1.390 10 0 ADAEMO CC[C@@H](C)[N@@H+]1C[C@@H](C)NCC2(CC2)C1 251922561 572660965 /nfs/dbraw/zinc/66/09/65/572660965.db2.gz QHOLCTVCUYVXCN-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H](C)[N@H+]1C[C@@H](C)NCC2(CC2)C1 251922561 572660968 /nfs/dbraw/zinc/66/09/68/572660968.db2.gz QHOLCTVCUYVXCN-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H](C)[C@H]1C[C@@H]([NH3+])C[N@H+](C)C1 251936108 572661090 /nfs/dbraw/zinc/66/10/90/572661090.db2.gz RXEQELZGERVOJZ-LPEHRKFASA-N 1 1 170.300 1.312 10 0 ADAEMO CCC(CC)[NH2+][C@@H](C)[C@@H](C)N 307863579 572661097 /nfs/dbraw/zinc/66/10/97/572661097.db2.gz IJBHGTDTFCACRM-SFYZADRCSA-N 1 1 158.289 1.500 10 0 ADAEMO C[N@H+]1CCCC[C@@H]2CC[C@H](O)C[C@@H]21 250550356 572661198 /nfs/dbraw/zinc/66/11/98/572661198.db2.gz ABMQOJUIKFDZMI-VWYCJHECSA-N 1 1 183.295 1.632 10 0 ADAEMO Cc1cc(C=O)oc1C[NH+](C)C 74336580 572661276 /nfs/dbraw/zinc/66/12/76/572661276.db2.gz FJZLXUBZGCPNPX-UHFFFAOYSA-N 1 1 167.208 1.462 10 0 ADAEMO CCC(CC)[NH2+][C@H](C)[C@@H](C)N 307863576 572661297 /nfs/dbraw/zinc/66/12/97/572661297.db2.gz IJBHGTDTFCACRM-HTQZYQBOSA-N 1 1 158.289 1.500 10 0 ADAEMO Cc1[nH]ncc1[C@H]([NH3+])CC(C)C 74335169 572661395 /nfs/dbraw/zinc/66/13/95/572661395.db2.gz HHTVBCRUBPEUSG-SECBINFHSA-N 1 1 167.256 1.764 10 0 ADAEMO C[C@@H]1C[N@@H+](C)CC[C@@H](C(F)(F)F)N1 251921182 572661447 /nfs/dbraw/zinc/66/14/47/572661447.db2.gz XZUYOSGRTHKIPT-RQJHMYQMSA-N 1 1 196.216 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/nfs/dbraw/zinc/66/26/73/572662673.db2.gz XZUYOSGRTHKIPT-BQBZGAKWSA-N 1 1 196.216 1.231 10 0 ADAEMO CCC[C@H]([NH3+])[C@@H](C)c1ccn[nH]1 74335242 572662823 /nfs/dbraw/zinc/66/28/23/572662823.db2.gz AARHJBCTGSKCQI-SFYZADRCSA-N 1 1 167.256 1.641 10 0 ADAEMO CC[C@H](C)[C@@H]([NH3+])[C@H]1CCCCN1C 251952535 572663011 /nfs/dbraw/zinc/66/30/11/572663011.db2.gz URBMWTRHWRHSJC-HBNTYKKESA-N 1 1 184.327 1.844 10 0 ADAEMO C/C=C\CC[N@@H+]1CCNC[C@@H]1CC 308084416 572663182 /nfs/dbraw/zinc/66/31/82/572663182.db2.gz DFNBNERFBSNSGX-MZBZXASESA-N 1 1 182.311 1.636 10 0 ADAEMO C/C=C\CCN1CC[NH2+]C[C@@H]1CC 308084416 572663185 /nfs/dbraw/zinc/66/31/85/572663185.db2.gz DFNBNERFBSNSGX-MZBZXASESA-N 1 1 182.311 1.636 10 0 ADAEMO C[C@H]1C[C@H]2[NH2+][C@H](C)C[C@@H]2CN1C 252112949 572663681 /nfs/dbraw/zinc/66/36/81/572663681.db2.gz JUFKSCZOZGRRSP-UTINFBMNSA-N 1 1 168.284 1.077 10 0 ADAEMO C[C@H]1C[C@@H]2[NH2+][C@H](C)C[C@@H]2CN1C 252112947 572664328 /nfs/dbraw/zinc/66/43/28/572664328.db2.gz JUFKSCZOZGRRSP-RGOKHQFPSA-N 1 1 168.284 1.077 10 0 ADAEMO CC[N@H+]1CCC[C@H](N)[C@H]1C1CC1 250251784 572664521 /nfs/dbraw/zinc/66/45/21/572664521.db2.gz IOZXTKINGRVGHT-VHSXEESVSA-N 1 1 168.284 1.208 10 0 ADAEMO CCN1CCC[C@H]([NH3+])[C@H]1C1CC1 250251784 572664526 /nfs/dbraw/zinc/66/45/26/572664526.db2.gz IOZXTKINGRVGHT-VHSXEESVSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@@H]2CN(C)[C@H](C)C[C@H]2[NH2+]1 252112950 572664912 /nfs/dbraw/zinc/66/49/12/572664912.db2.gz JUFKSCZOZGRRSP-ZYUZMQFOSA-N 1 1 168.284 1.077 10 0 ADAEMO COc1cccc(OC)c1[C@@H]([NH3+])CF 238384859 572665065 /nfs/dbraw/zinc/66/50/65/572665065.db2.gz KINGRZANJQGBMJ-ZETCQYMHSA-N 1 1 199.225 1.673 10 0 ADAEMO C[C@@H]1C[C@@H]2C[C@@H](O)CC[C@@H]2C[N@H+]1C 252126247 572668964 /nfs/dbraw/zinc/66/89/64/572668964.db2.gz LLJFAOPHDUMQON-DBIOUOCHSA-N 1 1 183.295 1.488 10 0 ADAEMO C[C@@H]1C[C@@H]2[C@@H](CCN(C)[C@@H]2C)[NH2+]1 252214781 572669513 /nfs/dbraw/zinc/66/95/13/572669513.db2.gz YYKWERJSLBCOJK-DOLQZWNJSA-N 1 1 168.284 1.077 10 0 ADAEMO COc1cccc(OC)c1[C@H]([NH3+])CF 238385042 572665300 /nfs/dbraw/zinc/66/53/00/572665300.db2.gz KINGRZANJQGBMJ-SSDOTTSWSA-N 1 1 199.225 1.673 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC1(C)C 235291602 572665462 /nfs/dbraw/zinc/66/54/62/572665462.db2.gz XPSAYRHZLRCMAD-OUAUKWLOSA-N 1 1 196.338 1.844 10 0 ADAEMO CSCCC[NH2+]CC(C)(C)N 307862693 572665595 /nfs/dbraw/zinc/66/55/95/572665595.db2.gz HXZZYEZNTIGDPN-UHFFFAOYSA-N 1 1 176.329 1.066 10 0 ADAEMO C[C@@H](CCO)CNc1ccc(N)[nH+]c1 85125662 572666322 /nfs/dbraw/zinc/66/63/22/572666322.db2.gz DWBAODQXTHNSOX-QMMMGPOBSA-N 1 1 195.266 1.094 10 0 ADAEMO C[C@H](CCO)CNc1ccc(N)c[nH+]1 85125668 572666449 /nfs/dbraw/zinc/66/64/49/572666449.db2.gz CXUIRNRMSYAHFM-MRVPVSSYSA-N 1 1 195.266 1.094 10 0 ADAEMO C[C@H](CCO)CNc1ccc(N)[nH+]c1 85125664 572666751 /nfs/dbraw/zinc/66/67/51/572666751.db2.gz DWBAODQXTHNSOX-MRVPVSSYSA-N 1 1 195.266 1.094 10 0 ADAEMO CC[C@@H]([NH3+])c1nc2occc2o1 74338270 572666932 /nfs/dbraw/zinc/66/69/32/572666932.db2.gz IGARCCHFOQODMD-RXMQYKEDSA-N 1 1 166.180 1.831 10 0 ADAEMO C[C@H](CCO)CNc1[nH+]cccc1N 85125780 572667148 /nfs/dbraw/zinc/66/71/48/572667148.db2.gz OUEMMQIXNTYTTK-MRVPVSSYSA-N 1 1 195.266 1.094 10 0 ADAEMO C[C@@H]1C[C@@H]2CN3CCC(CC3)[C@H]2[NH2+]1 252182777 572667432 /nfs/dbraw/zinc/66/74/32/572667432.db2.gz TWCQNNHIELYQBH-FBIMIBRVSA-N 1 1 180.295 1.079 10 0 ADAEMO C[C@@H](CCO)CNc1[nH+]cccc1N 85125778 572667441 /nfs/dbraw/zinc/66/74/41/572667441.db2.gz OUEMMQIXNTYTTK-QMMMGPOBSA-N 1 1 195.266 1.094 10 0 ADAEMO CC[C@H](C[NH3+])c1[nH]ncc1C 74343012 572672425 /nfs/dbraw/zinc/67/24/25/572672425.db2.gz AWQYIJDFCALRDB-SSDOTTSWSA-N 1 1 153.229 1.170 10 0 ADAEMO C[C@@H]1C[C@@H]2C[C@@H](O)CC[C@H]2C[N@H+]1C 252126250 572667523 /nfs/dbraw/zinc/66/75/23/572667523.db2.gz LLJFAOPHDUMQON-YTWAJWBKSA-N 1 1 183.295 1.488 10 0 ADAEMO C[C@@H]1C[C@]2(CCO1)C[C@@H](O)CC[N@H+]2C 252215524 572667788 /nfs/dbraw/zinc/66/77/88/572667788.db2.gz ZCLNKTHHRSWSJJ-OUAUKWLOSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1C[C@@H]2[NH2+]CCC(C)(C)[C@H]2CN1C 252206491 572667850 /nfs/dbraw/zinc/66/78/50/572667850.db2.gz XFSDOTXKOSJGQT-VWYCJHECSA-N 1 1 196.338 1.715 10 0 ADAEMO Cc1cn[nH]c1C1([NH3+])CC=CC1 74340833 572668036 /nfs/dbraw/zinc/66/80/36/572668036.db2.gz RVMWLNVMFPZMPB-UHFFFAOYSA-N 1 1 163.224 1.222 10 0 ADAEMO CC(C)[C@H]1CC[C@@H](N)C[N@H+]1C 74342418 572673090 /nfs/dbraw/zinc/67/30/90/572673090.db2.gz YJVVJPZSBRGUON-RKDXNWHRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@H]1CC[C@@H]([NH3+])CN1C 74342418 572673092 /nfs/dbraw/zinc/67/30/92/572673092.db2.gz YJVVJPZSBRGUON-RKDXNWHRSA-N 1 1 156.273 1.064 10 0 ADAEMO Cc1[nH+]ccn1-c1coc(N)c1 74341289 572668147 /nfs/dbraw/zinc/66/81/47/572668147.db2.gz LAFTYQDTGRZKQC-UHFFFAOYSA-N 1 1 163.180 1.356 10 0 ADAEMO C[C@@H](CCO)CNc1ccc(N)c[nH+]1 85125666 572668176 /nfs/dbraw/zinc/66/81/76/572668176.db2.gz CXUIRNRMSYAHFM-QMMMGPOBSA-N 1 1 195.266 1.094 10 0 ADAEMO [NH3+][C@@H](c1ccoc1)c1cc[nH]n1 74341136 572668221 /nfs/dbraw/zinc/66/82/21/572668221.db2.gz FWRGQSBZNMIMOK-QMMMGPOBSA-N 1 1 163.180 1.051 10 0 ADAEMO C[C@H]1[C@@H]2C[C@@H](C)[NH2+][C@@H]2CCN1C 252214783 572668315 /nfs/dbraw/zinc/66/83/15/572668315.db2.gz YYKWERJSLBCOJK-XFWSIPNHSA-N 1 1 168.284 1.077 10 0 ADAEMO C[C@@H]1C[C@@H]2[C@H](CCN(C)[C@@H]2C)[NH2+]1 252214782 572668373 /nfs/dbraw/zinc/66/83/73/572668373.db2.gz YYKWERJSLBCOJK-IMSYWVGJSA-N 1 1 168.284 1.077 10 0 ADAEMO C[C@@H]1C[C@@H]2CC(=O)C[C@H]2C[N@H+]1C 252214380 572668654 /nfs/dbraw/zinc/66/86/54/572668654.db2.gz YWJOVHOJRSMEBA-HLTSFMKQSA-N 1 1 167.252 1.306 10 0 ADAEMO CN[C@@H]1C[C@H](C)C[N@@H+]([C@H](C)C2CC2)C1 252202649 572668664 /nfs/dbraw/zinc/66/86/64/572668664.db2.gz WORSPWRWQMPQMQ-HOSYDEDBSA-N 1 1 196.338 1.715 10 0 ADAEMO CN[C@@H]1C[C@H](C)C[N@H+]([C@H](C)C2CC2)C1 252202649 572668667 /nfs/dbraw/zinc/66/86/67/572668667.db2.gz WORSPWRWQMPQMQ-HOSYDEDBSA-N 1 1 196.338 1.715 10 0 ADAEMO CN[C@@H]1C[C@@H](C)C[N@@H+]([C@H](C)C2CC2)C1 252202648 572668976 /nfs/dbraw/zinc/66/89/76/572668976.db2.gz WORSPWRWQMPQMQ-CKYFFXLPSA-N 1 1 196.338 1.715 10 0 ADAEMO CN[C@@H]1C[C@@H](C)C[N@H+]([C@H](C)C2CC2)C1 252202648 572668980 /nfs/dbraw/zinc/66/89/80/572668980.db2.gz WORSPWRWQMPQMQ-CKYFFXLPSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@@H]1C[C@@H]2[NH2+]CCC[C@@H]2[C@@H](C)N1C 252192476 572669173 /nfs/dbraw/zinc/66/91/73/572669173.db2.gz VCOJJTQIPMYNIG-DBIOUOCHSA-N 1 1 182.311 1.467 10 0 ADAEMO C[C@@H]1C[C@@]2(CCO1)C[C@@H](O)CC[N@H+]2C 252215525 572669237 /nfs/dbraw/zinc/66/92/37/572669237.db2.gz ZCLNKTHHRSWSJJ-VWYCJHECSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1C[C@H]2CC(=O)C[C@H]2C[N@H+]1C 252214381 572669315 /nfs/dbraw/zinc/66/93/15/572669315.db2.gz YWJOVHOJRSMEBA-VGMNWLOBSA-N 1 1 167.252 1.306 10 0 ADAEMO C[C@@H]1C[C@@H]2C[C@H](O)CC[C@H]2C[N@H+]1C 252126249 572669491 /nfs/dbraw/zinc/66/94/91/572669491.db2.gz LLJFAOPHDUMQON-LMLFDSFASA-N 1 1 183.295 1.488 10 0 ADAEMO CCC[C@@H]([NH3+])c1cnc(C)[nH]1 74343033 572673170 /nfs/dbraw/zinc/67/31/70/572673170.db2.gz KTZIRGMBTCDGKT-SSDOTTSWSA-N 1 1 153.229 1.518 10 0 ADAEMO Cc1ncc(C2([NH3+])CC=CC2)[nH]1 74340830 572669547 /nfs/dbraw/zinc/66/95/47/572669547.db2.gz NMKDEDPUJUFIQW-UHFFFAOYSA-N 1 1 163.224 1.222 10 0 ADAEMO C[C@@H]1C[C@H]2[NH2+]C(C)(C)C[C@@H]2CN1C 252183532 572669597 /nfs/dbraw/zinc/66/95/97/572669597.db2.gz TZAYKWYFIQRSTM-OPRDCNLKSA-N 1 1 182.311 1.467 10 0 ADAEMO COC(=O)C[NH2+]CC(C)(C)C(C)C 234532205 572669617 /nfs/dbraw/zinc/66/96/17/572669617.db2.gz JSKKHEOAPWCORV-UHFFFAOYSA-N 1 1 187.283 1.431 10 0 ADAEMO CCCC[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299892640 572669682 /nfs/dbraw/zinc/66/96/82/572669682.db2.gz BSYFIYAECHOEIP-QWRGUYRKSA-N 1 1 182.311 1.470 10 0 ADAEMO CCC[C@@H]1CC[C@@H]([NH3+])CN1C 74342421 572673181 /nfs/dbraw/zinc/67/31/81/572673181.db2.gz VHHJQPNAPXRLKF-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H]1CC[C@@H](N)C[N@@H+]1C 74342421 572673183 /nfs/dbraw/zinc/67/31/83/572673183.db2.gz VHHJQPNAPXRLKF-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H]1CC[C@@H](N)C[N@H+]1C 74342421 572673186 /nfs/dbraw/zinc/67/31/86/572673186.db2.gz VHHJQPNAPXRLKF-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@@H]1C[C@@H]2[NH2+]C(C)(C)C[C@@H]2CN1C 252183530 572669786 /nfs/dbraw/zinc/66/97/86/572669786.db2.gz TZAYKWYFIQRSTM-BBBLOLIVSA-N 1 1 182.311 1.467 10 0 ADAEMO C[C@@H]1C[C@@H]2[NH2+]CCC[C@H]2[C@@H](C)N1C 252192477 572669802 /nfs/dbraw/zinc/66/98/02/572669802.db2.gz VCOJJTQIPMYNIG-ZNSHCXBVSA-N 1 1 182.311 1.467 10 0 ADAEMO C[C@@H]1C[C@H]2CN3CCC(CC3)[C@H]2[NH2+]1 252182776 572669811 /nfs/dbraw/zinc/66/98/11/572669811.db2.gz TWCQNNHIELYQBH-DVVUODLYSA-N 1 1 180.295 1.079 10 0 ADAEMO Cc1ccc(NC[C@@H](C)CCO)[nH+]c1 85132732 572669883 /nfs/dbraw/zinc/66/98/83/572669883.db2.gz BQEQWESEJRMHLV-JTQLQIEISA-N 1 1 194.278 1.820 10 0 ADAEMO C[C@@H]1C[C@H]2[NH2+]CCC(C)(C)[C@H]2CN1C 252206365 572670015 /nfs/dbraw/zinc/67/00/15/572670015.db2.gz XFSDOTXKOSJGQT-OUAUKWLOSA-N 1 1 196.338 1.715 10 0 ADAEMO Cc1ccc[nH+]c1NC[C@H](C)CCO 85132497 572670058 /nfs/dbraw/zinc/67/00/58/572670058.db2.gz VDZQWMRFZSLQFS-SECBINFHSA-N 1 1 194.278 1.820 10 0 ADAEMO CNCC(C)(C)[NH2+]C[C@@H]1CC1(C)C 313072009 572670091 /nfs/dbraw/zinc/67/00/91/572670091.db2.gz FJDHKMBHIQOQEW-VIFPVBQESA-N 1 1 184.327 1.620 10 0 ADAEMO Cc1c[nH+]c2[nH]c(C=O)c(C)n12 74341266 572670244 /nfs/dbraw/zinc/67/02/44/572670244.db2.gz RHBNIWAIQASQIX-UHFFFAOYSA-N 1 1 163.180 1.092 10 0 ADAEMO CCC(CC)[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299892591 572670433 /nfs/dbraw/zinc/67/04/33/572670433.db2.gz BBUNSEJYSDPXPP-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC(CC)[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299892591 572670435 /nfs/dbraw/zinc/67/04/35/572670435.db2.gz BBUNSEJYSDPXPP-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC(CC)[N@H+]1C[C@@H]2CCCN[C@H]2C1 299892591 572670438 /nfs/dbraw/zinc/67/04/38/572670438.db2.gz BBUNSEJYSDPXPP-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC(CC)N1C[C@@H]2CCC[NH2+][C@H]2C1 299892591 572670439 /nfs/dbraw/zinc/67/04/39/572670439.db2.gz BBUNSEJYSDPXPP-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@H]2NCCC[C@@H]2C1 299892685 572670458 /nfs/dbraw/zinc/67/04/58/572670458.db2.gz CHRGATNBLZDKGF-QJPTWQEYSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H](C)[N@@H+]1C[C@H]2NCCC[C@@H]2C1 299892685 572670460 /nfs/dbraw/zinc/67/04/60/572670460.db2.gz CHRGATNBLZDKGF-QJPTWQEYSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H](C)N1C[C@H]2[NH2+]CCC[C@@H]2C1 299892685 572670462 /nfs/dbraw/zinc/67/04/62/572670462.db2.gz CHRGATNBLZDKGF-QJPTWQEYSA-N 1 1 196.338 1.715 10 0 ADAEMO CCC(CC)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299892592 572670522 /nfs/dbraw/zinc/67/05/22/572670522.db2.gz BBUNSEJYSDPXPP-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC(CC)[N@@H+]1C[C@H]2CCCN[C@H]2C1 299892592 572670525 /nfs/dbraw/zinc/67/05/25/572670525.db2.gz BBUNSEJYSDPXPP-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC(CC)[N@H+]1C[C@H]2CCCN[C@H]2C1 299892592 572670526 /nfs/dbraw/zinc/67/05/26/572670526.db2.gz BBUNSEJYSDPXPP-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC(CC)N1C[C@H]2CCC[NH2+][C@H]2C1 299892592 572670529 /nfs/dbraw/zinc/67/05/29/572670529.db2.gz BBUNSEJYSDPXPP-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO [NH3+]CC(=O)c1cc(Cl)co1 74341926 572670634 /nfs/dbraw/zinc/67/06/34/572670634.db2.gz JLNZFBQMCGJVBQ-UHFFFAOYSA-N 1 1 159.572 1.074 10 0 ADAEMO Cc1ccc[nH+]c1NC[C@@H](C)CCO 85132495 572670641 /nfs/dbraw/zinc/67/06/41/572670641.db2.gz VDZQWMRFZSLQFS-VIFPVBQESA-N 1 1 194.278 1.820 10 0 ADAEMO C[C@@H]1CCC[C@@H](CNC2C[NH2+]C2)C1 235295726 572670646 /nfs/dbraw/zinc/67/06/46/572670646.db2.gz XDMLOAKFNDKCLM-NXEZZACHSA-N 1 1 182.311 1.374 10 0 ADAEMO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H]2C)C[C@H]1C 252709572 572673263 /nfs/dbraw/zinc/67/32/63/572673263.db2.gz DFUPLCBSYRUJHQ-WHOHXGKFSA-N 1 1 196.338 1.857 10 0 ADAEMO C1CCC([N@@H+]2C[C@@H]3CCCN[C@H]3C2)C1 299893124 572670911 /nfs/dbraw/zinc/67/09/11/572670911.db2.gz IJHLDCFJHKMUJM-JQWIXIFHSA-N 1 1 194.322 1.613 10 0 ADAEMO C1CCC([N@H+]2C[C@@H]3CCCN[C@H]3C2)C1 299893124 572670916 /nfs/dbraw/zinc/67/09/16/572670916.db2.gz IJHLDCFJHKMUJM-JQWIXIFHSA-N 1 1 194.322 1.613 10 0 ADAEMO C[C@@H]1CC(C)(C)C[C@H]1[N@H+]1CC[C@@H](N)C1 235295490 572670919 /nfs/dbraw/zinc/67/09/19/572670919.db2.gz CPERDAWTQHGNEN-GMTAPVOTSA-N 1 1 196.338 1.844 10 0 ADAEMO Cc1ccc(NC[C@H](C)CCO)[nH+]c1 85132735 572671065 /nfs/dbraw/zinc/67/10/65/572671065.db2.gz BQEQWESEJRMHLV-SNVBAGLBSA-N 1 1 194.278 1.820 10 0 ADAEMO C[C@@H]1CC[N@H+]1[C@H](CO)c1ccccc1 235293194 572671168 /nfs/dbraw/zinc/67/11/68/572671168.db2.gz DPKNBEROIXJEGZ-ZYHUDNBSSA-N 1 1 191.274 1.814 10 0 ADAEMO C[C@H]1CCCN1c1nnc([C@@H](C)[NH3+])o1 235194154 572671228 /nfs/dbraw/zinc/67/12/28/572671228.db2.gz HFFRPVQFNXLNLM-NKWVEPMBSA-N 1 1 196.254 1.078 10 0 ADAEMO C[C@@H]1CC[N@H+]1[C@@H](CN)C1CCCC1 235293026 572671242 /nfs/dbraw/zinc/67/12/42/572671242.db2.gz MDCBFWSRVPVRDC-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO Cc1cccc(NC[C@H]2C[C@@H]([NH3+])C2)n1 116186607 572671364 /nfs/dbraw/zinc/67/13/64/572671364.db2.gz NOOVPPRHHQRCFA-MGCOHNPYSA-N 1 1 191.278 1.539 10 0 ADAEMO CC(C)[C@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 299892687 572671423 /nfs/dbraw/zinc/67/14/23/572671423.db2.gz CHRGATNBLZDKGF-TUAOUCFPSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 299892687 572671425 /nfs/dbraw/zinc/67/14/25/572671425.db2.gz CHRGATNBLZDKGF-TUAOUCFPSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H](C)N1C[C@H]2CCC[NH2+][C@H]2C1 299892687 572671427 /nfs/dbraw/zinc/67/14/27/572671427.db2.gz CHRGATNBLZDKGF-TUAOUCFPSA-N 1 1 196.338 1.715 10 0 ADAEMO [NH3+]Cc1nc2sccc2o1 74342942 572671434 /nfs/dbraw/zinc/67/14/34/572671434.db2.gz KRALUQRPBALNBR-UHFFFAOYSA-N 1 1 154.194 1.348 10 0 ADAEMO CCC[C@@H]1CC[C@H]([NH3+])CN1C 74342419 572671512 /nfs/dbraw/zinc/67/15/12/572671512.db2.gz VHHJQPNAPXRLKF-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H]1CC[C@H](N)C[N@@H+]1C 74342419 572671514 /nfs/dbraw/zinc/67/15/14/572671514.db2.gz VHHJQPNAPXRLKF-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H]1CC[C@H](N)C[N@H+]1C 74342419 572671516 /nfs/dbraw/zinc/67/15/16/572671516.db2.gz VHHJQPNAPXRLKF-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@H](C[NH3+])c1[nH]ncc1C 74343011 572671525 /nfs/dbraw/zinc/67/15/25/572671525.db2.gz AWQYIJDFCALRDB-ZETCQYMHSA-N 1 1 153.229 1.170 10 0 ADAEMO CCCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299892639 572671559 /nfs/dbraw/zinc/67/15/59/572671559.db2.gz BSYFIYAECHOEIP-MNOVXSKESA-N 1 1 182.311 1.470 10 0 ADAEMO CC(C)c1coc([C@H](C)[NH3+])n1 74342891 572672178 /nfs/dbraw/zinc/67/21/78/572672178.db2.gz NPTQKIKECLCETI-LURJTMIESA-N 1 1 154.213 1.818 10 0 ADAEMO C1CCC([N@@H+]2C[C@H]3CCCN[C@H]3C2)C1 299893125 572672514 /nfs/dbraw/zinc/67/25/14/572672514.db2.gz IJHLDCFJHKMUJM-PWSUYJOCSA-N 1 1 194.322 1.613 10 0 ADAEMO C1CCC([N@H+]2C[C@H]3CCCN[C@H]3C2)C1 299893125 572672519 /nfs/dbraw/zinc/67/25/19/572672519.db2.gz IJHLDCFJHKMUJM-PWSUYJOCSA-N 1 1 194.322 1.613 10 0 ADAEMO CC(C)[C@H]1CC[C@H](N)C[N@H+]1C 74342416 572672889 /nfs/dbraw/zinc/67/28/89/572672889.db2.gz YJVVJPZSBRGUON-DTWKUNHWSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@H]1CC[C@H]([NH3+])CN1C 74342416 572672891 /nfs/dbraw/zinc/67/28/91/572672891.db2.gz YJVVJPZSBRGUON-DTWKUNHWSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@H](C)[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299892686 572672914 /nfs/dbraw/zinc/67/29/14/572672914.db2.gz CHRGATNBLZDKGF-SRVKXCTJSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@@H]2CCCN[C@H]2C1 299892686 572672919 /nfs/dbraw/zinc/67/29/19/572672919.db2.gz CHRGATNBLZDKGF-SRVKXCTJSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H](C)N1C[C@@H]2CCC[NH2+][C@H]2C1 299892686 572672921 /nfs/dbraw/zinc/67/29/21/572672921.db2.gz CHRGATNBLZDKGF-SRVKXCTJSA-N 1 1 196.338 1.715 10 0 ADAEMO [NH3+]Cc1nc2ccoc2s1 74342943 572673056 /nfs/dbraw/zinc/67/30/56/572673056.db2.gz JHJBGYVIPIVHEF-UHFFFAOYSA-N 1 1 154.194 1.348 10 0 ADAEMO CCC[C@H]([NH3+])c1cnc(C)[nH]1 74343032 572673669 /nfs/dbraw/zinc/67/36/69/572673669.db2.gz KTZIRGMBTCDGKT-ZETCQYMHSA-N 1 1 153.229 1.518 10 0 ADAEMO CC[C@H](C)CN1C[C@H]2CCC[NH2+][C@H]2C1 299894289 572673786 /nfs/dbraw/zinc/67/37/86/572673786.db2.gz VIXVXXWBGFKQJL-TUAOUCFPSA-N 1 1 196.338 1.716 10 0 ADAEMO CCC[C@@H]([NH3+])c1ncns1 74342343 572673914 /nfs/dbraw/zinc/67/39/14/572673914.db2.gz ZEBQVCPCSFZDCS-RXMQYKEDSA-N 1 1 157.242 1.338 10 0 ADAEMO CC1=NC(=O)N(C(C)C)C1[NH3+] 74342726 572673980 /nfs/dbraw/zinc/67/39/80/572673980.db2.gz JCYZRHNXADNQKH-UHFFFAOYSA-N 1 1 155.201 1.060 10 0 ADAEMO CCC[C@H]1CC[C@@H]([NH3+])CN1C 74342422 572674002 /nfs/dbraw/zinc/67/40/02/572674002.db2.gz VHHJQPNAPXRLKF-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H]1CC[C@@H](N)C[N@@H+]1C 74342422 572674006 /nfs/dbraw/zinc/67/40/06/572674006.db2.gz VHHJQPNAPXRLKF-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H]1CC[C@@H](N)C[N@H+]1C 74342422 572674010 /nfs/dbraw/zinc/67/40/10/572674010.db2.gz VHHJQPNAPXRLKF-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(NCC2CCC2)o1 235198046 572674099 /nfs/dbraw/zinc/67/40/99/572674099.db2.gz UJDPJVROECETCQ-ZCFIWIBFSA-N 1 1 196.254 1.301 10 0 ADAEMO CC(C)[NH2+]Cc1ncns1 74342328 572674448 /nfs/dbraw/zinc/67/44/48/572674448.db2.gz XKRURVYOWNLSAD-UHFFFAOYSA-N 1 1 157.242 1.036 10 0 ADAEMO CC(C)[C@@H]1CC[C@@H](N)C[N@H+]1C 74342417 572674612 /nfs/dbraw/zinc/67/46/12/572674612.db2.gz YJVVJPZSBRGUON-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@@H]1CC[C@@H]([NH3+])CN1C 74342417 572674615 /nfs/dbraw/zinc/67/46/15/572674615.db2.gz YJVVJPZSBRGUON-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO Cc1cccc(NC[C@@H](C)CC[NH3+])n1 85131061 572674693 /nfs/dbraw/zinc/67/46/93/572674693.db2.gz WKIWNDJYIVIDJZ-VIFPVBQESA-N 1 1 193.294 1.787 10 0 ADAEMO Cc1nc(C[NH3+])oc1C(C)C 74342892 572674792 /nfs/dbraw/zinc/67/47/92/572674792.db2.gz XJWUXEUPICQIBI-UHFFFAOYSA-N 1 1 154.213 1.565 10 0 ADAEMO Cc1cc([C@H]([NH3+])C(C)C)n[nH]1 74343051 572674920 /nfs/dbraw/zinc/67/49/20/572674920.db2.gz WUBYTVPJQWYCJD-MRVPVSSYSA-N 1 1 153.229 1.374 10 0 ADAEMO CCc1oc([C@H](C)[NH3+])nc1C 74342890 572675005 /nfs/dbraw/zinc/67/50/05/572675005.db2.gz AYUJSTBADMLXKX-YFKPBYRVSA-N 1 1 154.213 1.565 10 0 ADAEMO Cc1ncc([C@@H]([NH3+])C(C)C)[nH]1 74343025 572675019 /nfs/dbraw/zinc/67/50/19/572675019.db2.gz HTXDETYJIQBXHI-QMMMGPOBSA-N 1 1 153.229 1.374 10 0 ADAEMO CO[C@H]1C[N@@H+](CCC(C)=O)CC[C@H]1C 299893745 572675301 /nfs/dbraw/zinc/67/53/01/572675301.db2.gz OKXDAUXEJACKPJ-KOLCDFICSA-N 1 1 199.294 1.322 10 0 ADAEMO Cc1cc([C@@H]([NH3+])C(C)C)n[nH]1 74343052 572675330 /nfs/dbraw/zinc/67/53/30/572675330.db2.gz WUBYTVPJQWYCJD-QMMMGPOBSA-N 1 1 153.229 1.374 10 0 ADAEMO Cc1ccnc(NC[C@@H](C)CC[NH3+])c1 85130850 572675386 /nfs/dbraw/zinc/67/53/86/572675386.db2.gz UTCPRRWXGLMJHN-JTQLQIEISA-N 1 1 193.294 1.787 10 0 ADAEMO CC[C@H](C)Oc1nnc(C[NH3+])s1 87699218 572676392 /nfs/dbraw/zinc/67/63/92/572676392.db2.gz HSWYUICSLNLUEZ-YFKPBYRVSA-N 1 1 187.268 1.174 10 0 ADAEMO CC[C@H](C)CN1C[C@@H]2CCC[NH2+][C@H]2C1 299894288 572675687 /nfs/dbraw/zinc/67/56/87/572675687.db2.gz VIXVXXWBGFKQJL-SRVKXCTJSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(NCC2(C)CC2)o1 235197719 572675712 /nfs/dbraw/zinc/67/57/12/572675712.db2.gz LQAYDVLYNIHQKC-ZCFIWIBFSA-N 1 1 196.254 1.301 10 0 ADAEMO CO[C@@H]1C[N@@H+](CCC(C)=O)CC[C@H]1C 299893746 572675781 /nfs/dbraw/zinc/67/57/81/572675781.db2.gz OKXDAUXEJACKPJ-MWLCHTKSSA-N 1 1 199.294 1.322 10 0 ADAEMO Cc1cccc(NC[C@H](C)CC[NH3+])n1 85131063 572675968 /nfs/dbraw/zinc/67/59/68/572675968.db2.gz WKIWNDJYIVIDJZ-SECBINFHSA-N 1 1 193.294 1.787 10 0 ADAEMO Cc1ccnc(NC[C@H](C)CC[NH3+])c1 85130852 572676085 /nfs/dbraw/zinc/67/60/85/572676085.db2.gz UTCPRRWXGLMJHN-SNVBAGLBSA-N 1 1 193.294 1.787 10 0 ADAEMO C[NH+](C)Cc1ccoc1C=O 74343176 572676314 /nfs/dbraw/zinc/67/63/14/572676314.db2.gz PHMSAFJGIRBLNK-UHFFFAOYSA-N 1 1 153.181 1.154 10 0 ADAEMO COc1nnc(C[NH2+]C(C)C)s1 87698803 572676666 /nfs/dbraw/zinc/67/66/66/572676666.db2.gz ATHXPKSDAOCPRV-UHFFFAOYSA-N 1 1 187.268 1.045 10 0 ADAEMO C[NH+](C)Cc1cc(C=O)co1 74343174 572676892 /nfs/dbraw/zinc/67/68/92/572676892.db2.gz UKKLWKINXMHMDG-UHFFFAOYSA-N 1 1 153.181 1.154 10 0 ADAEMO CNCC(C)(C)[NH2+]CCCCOC 313077296 572676945 /nfs/dbraw/zinc/67/69/45/572676945.db2.gz RHHSLRJEFVLQBQ-UHFFFAOYSA-N 1 1 188.315 1.001 10 0 ADAEMO C[NH2+]CC(C)(C)NCCCCOC 313077296 572676950 /nfs/dbraw/zinc/67/69/50/572676950.db2.gz RHHSLRJEFVLQBQ-UHFFFAOYSA-N 1 1 188.315 1.001 10 0 ADAEMO C[NH2+]Cc1nnc(OC(C)C)s1 87698954 572677146 /nfs/dbraw/zinc/67/71/46/572677146.db2.gz JLFZOSQEENQSEQ-UHFFFAOYSA-N 1 1 187.268 1.045 10 0 ADAEMO C/C=C/COc1nnc(C[NH2+]C)s1 87698666 572677209 /nfs/dbraw/zinc/67/72/09/572677209.db2.gz XHXHYBSQIDCLQA-ONEGZZNKSA-N 1 1 199.279 1.212 10 0 ADAEMO CC[C@H](C)CN1C[C@H]2[NH2+]CCC[C@@H]2C1 299894287 572677232 /nfs/dbraw/zinc/67/72/32/572677232.db2.gz VIXVXXWBGFKQJL-QJPTWQEYSA-N 1 1 196.338 1.716 10 0 ADAEMO Nc1[nH+]cccc1CC1CCOCC1 70318447 572677246 /nfs/dbraw/zinc/67/72/46/572677246.db2.gz XXQKHVPBSWTITI-UHFFFAOYSA-N 1 1 192.262 1.633 10 0 ADAEMO C[N@H+]1[C@H]2CC[C@@H]1CC(N)(C(F)F)C2 87688029 572677252 /nfs/dbraw/zinc/67/72/52/572677252.db2.gz OLDXJTHFKZGWPG-AVSFMBPQSA-N 1 1 190.237 1.206 10 0 ADAEMO C[NH2+]Cc1nnc(OC2CCC2)s1 87698685 572677365 /nfs/dbraw/zinc/67/73/65/572677365.db2.gz TVMVMFDGHVNENK-UHFFFAOYSA-N 1 1 199.279 1.189 10 0 ADAEMO C[NH+](C)Cc1cocc1C=O 74343175 572677486 /nfs/dbraw/zinc/67/74/86/572677486.db2.gz IUBYZWRTELCVLK-UHFFFAOYSA-N 1 1 153.181 1.154 10 0 ADAEMO CCC[N@H+](C1CC1)[C@H](C)CO 307866700 572677566 /nfs/dbraw/zinc/67/75/66/572677566.db2.gz GLHIWYRRKFKYMT-MRVPVSSYSA-N 1 1 157.257 1.242 10 0 ADAEMO C[C@H](O)/C=C1\CC[N@H+]2CCCC[C@@H]12 308091877 572677569 /nfs/dbraw/zinc/67/75/69/572677569.db2.gz IDGQDNOZHKZURD-FBIFYRRTSA-N 1 1 181.279 1.552 10 0 ADAEMO Cc1cccc2nc([C@@H](C)C[NH3+])[nH]c12 54334377 572677920 /nfs/dbraw/zinc/67/79/20/572677920.db2.gz FSSGGMCHYZUONP-QMMMGPOBSA-N 1 1 189.262 1.934 10 0 ADAEMO Cc1cccc2nc([C@H](C)C[NH3+])[nH]c12 54334378 572677945 /nfs/dbraw/zinc/67/79/45/572677945.db2.gz FSSGGMCHYZUONP-MRVPVSSYSA-N 1 1 189.262 1.934 10 0 ADAEMO CCC[N@H+](C1CC1)[C@@H](C)CO 307866703 572678024 /nfs/dbraw/zinc/67/80/24/572678024.db2.gz GLHIWYRRKFKYMT-QMMMGPOBSA-N 1 1 157.257 1.242 10 0 ADAEMO CC[C@@H](C)Oc1nnc(C[NH3+])s1 87699217 572678304 /nfs/dbraw/zinc/67/83/04/572678304.db2.gz HSWYUICSLNLUEZ-RXMQYKEDSA-N 1 1 187.268 1.174 10 0 ADAEMO CC[C@@H](C)[C@@H](C)[N@@H+](C)CCO 307868768 572678326 /nfs/dbraw/zinc/67/83/26/572678326.db2.gz KNNSWJNQZHZKFH-RKDXNWHRSA-N 1 1 159.273 1.345 10 0 ADAEMO C[C@@H](CO)CSc1cc(N)cc[nH+]1 85137761 572678406 /nfs/dbraw/zinc/67/84/06/572678406.db2.gz PVUADAMYMDDOQG-ZETCQYMHSA-N 1 1 198.291 1.384 10 0 ADAEMO CC[C@@H](C)[C@H](C)[N@@H+](C)CCO 307868758 572678489 /nfs/dbraw/zinc/67/84/89/572678489.db2.gz KNNSWJNQZHZKFH-BDAKNGLRSA-N 1 1 159.273 1.345 10 0 ADAEMO CCCCOc1nnc(C[NH3+])s1 87699103 572678541 /nfs/dbraw/zinc/67/85/41/572678541.db2.gz RQGQOQZHTPCWNV-UHFFFAOYSA-N 1 1 187.268 1.176 10 0 ADAEMO Cc1n[nH]c(C2CCC([NH3+])CC2)n1 48630585 572680438 /nfs/dbraw/zinc/68/04/38/572680438.db2.gz LVNMKAOWVYAWHL-UHFFFAOYSA-N 1 1 180.255 1.098 10 0 ADAEMO CCC[NH2+][C@@]1(C(F)F)CCOC1 87689228 572679811 /nfs/dbraw/zinc/67/98/11/572679811.db2.gz OTPKKAVDPGGJEM-QMMMGPOBSA-N 1 1 179.210 1.410 10 0 ADAEMO CC[C@@H]1CCCC[C@@H]1OC(=O)C[NH3+] 48634090 572683775 /nfs/dbraw/zinc/68/37/75/572683775.db2.gz WFDSCPOLOJTNFF-BDAKNGLRSA-N 1 1 185.267 1.457 10 0 ADAEMO c1ccc2c(c1)CC[NH2+][C@@H]2c1cc[nH]n1 83694139 572680262 /nfs/dbraw/zinc/68/02/62/572680262.db2.gz SJXFNAAMLBSVKE-LBPRGKRZSA-N 1 1 199.257 1.645 10 0 ADAEMO CCc1n[nH]c(C2CCC([NH3+])CC2)n1 48630824 572680308 /nfs/dbraw/zinc/68/03/08/572680308.db2.gz UKQIUFUGRJAYLE-UHFFFAOYSA-N 1 1 194.282 1.352 10 0 ADAEMO CCc1nnc(C2CCC([NH3+])CC2)[nH]1 48630824 572680314 /nfs/dbraw/zinc/68/03/14/572680314.db2.gz UKQIUFUGRJAYLE-UHFFFAOYSA-N 1 1 194.282 1.352 10 0 ADAEMO Cc1nnc(C2CCC([NH3+])CC2)[nH]1 48630585 572680441 /nfs/dbraw/zinc/68/04/41/572680441.db2.gz LVNMKAOWVYAWHL-UHFFFAOYSA-N 1 1 180.255 1.098 10 0 ADAEMO CC[NH2+][C@](CC)(COC)C(F)F 87688912 572680476 /nfs/dbraw/zinc/68/04/76/572680476.db2.gz INBBHFUFYTWJGD-MRVPVSSYSA-N 1 1 181.226 1.656 10 0 ADAEMO CC[NH2+][C@@](COC)(C(F)F)C1CC1 87689089 572680968 /nfs/dbraw/zinc/68/09/68/572680968.db2.gz IYSBCXKWLYUPME-SECBINFHSA-N 1 1 193.237 1.656 10 0 ADAEMO CCC[NH2+][C@@](C)(COC)C(F)F 87689461 572681030 /nfs/dbraw/zinc/68/10/30/572681030.db2.gz CKTGPUFVEJZGFE-QMMMGPOBSA-N 1 1 181.226 1.656 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1NCCCC1(C)C 235297811 572681163 /nfs/dbraw/zinc/68/11/63/572681163.db2.gz UXRYAHMQLKOQEF-VWYCJHECSA-N 1 1 196.338 1.763 10 0 ADAEMO C[NH2+][C@@](C)(CCOC)C(F)F 87688393 572681301 /nfs/dbraw/zinc/68/13/01/572681301.db2.gz KMHRAVHVJVSLOC-ZETCQYMHSA-N 1 1 167.199 1.266 10 0 ADAEMO CC[NH2+][C@](COC)(C(C)C)C(F)F 87689191 572681523 /nfs/dbraw/zinc/68/15/23/572681523.db2.gz RLTKXOVOTNGLDR-SECBINFHSA-N 1 1 195.253 1.902 10 0 ADAEMO C[C@H](CNC[C@@H]1[NH2+]CC[C@H]1C)C1CC1 299895639 572681532 /nfs/dbraw/zinc/68/15/32/572681532.db2.gz ADOPNXRPNCGWOL-FOGDFJRCSA-N 1 1 196.338 1.620 10 0 ADAEMO C[C@H](C1CC1)N1C[C@@H]2CCC[NH2+][C@H]2C1 299894458 572681541 /nfs/dbraw/zinc/68/15/41/572681541.db2.gz WTNIEXMWMYFVPA-USWWRNFRSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@H](C1CC1)[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299894458 572681543 /nfs/dbraw/zinc/68/15/43/572681543.db2.gz WTNIEXMWMYFVPA-USWWRNFRSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1C[C@@H]2CCCN[C@H]2C1 299894458 572681544 /nfs/dbraw/zinc/68/15/44/572681544.db2.gz WTNIEXMWMYFVPA-USWWRNFRSA-N 1 1 194.322 1.469 10 0 ADAEMO c1ccc2c(c1)CC[NH2+][C@H]2c1cc[nH]n1 83694144 572681579 /nfs/dbraw/zinc/68/15/79/572681579.db2.gz SJXFNAAMLBSVKE-GFCCVEGCSA-N 1 1 199.257 1.645 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1C[C@H]2CCCN[C@H]2C1 299894457 572683953 /nfs/dbraw/zinc/68/39/53/572683953.db2.gz WTNIEXMWMYFVPA-JLLWLGSASA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@H]1CCCC[C@@H]1OC(=O)C[NH3+] 48633342 572681978 /nfs/dbraw/zinc/68/19/78/572681978.db2.gz BUVNOWJVEYCWRO-YUMQZZPRSA-N 1 1 171.240 1.067 10 0 ADAEMO CCC[NH2+][C@](C)(COC)C(F)F 87689462 572682037 /nfs/dbraw/zinc/68/20/37/572682037.db2.gz CKTGPUFVEJZGFE-MRVPVSSYSA-N 1 1 181.226 1.656 10 0 ADAEMO C[C@H](CCO)Sc1cc(N)cc[nH+]1 85142145 572682120 /nfs/dbraw/zinc/68/21/20/572682120.db2.gz XUYIJBIXWPVBRM-SSDOTTSWSA-N 1 1 198.291 1.527 10 0 ADAEMO CC1CCC(OC(=O)C[NH3+])CC1 48633044 572682231 /nfs/dbraw/zinc/68/22/31/572682231.db2.gz JBCQMGBDBISTIY-UHFFFAOYSA-N 1 1 171.240 1.067 10 0 ADAEMO C[NH2+][C@](COC)(C(F)F)C1CC1 87688683 572682312 /nfs/dbraw/zinc/68/23/12/572682312.db2.gz ATBOYKNHRWRFGJ-QMMMGPOBSA-N 1 1 179.210 1.266 10 0 ADAEMO C[NH2+][C@](COC)(C(C)C)C(F)F 87688804 572682374 /nfs/dbraw/zinc/68/23/74/572682374.db2.gz AUCGHYJXUOIDLH-MRVPVSSYSA-N 1 1 181.226 1.512 10 0 ADAEMO c1ccc2c(c1)CC[NH2+][C@@H]2c1c[nH]cn1 83694127 572682384 /nfs/dbraw/zinc/68/23/84/572682384.db2.gz PSQODUJBMATUDD-LBPRGKRZSA-N 1 1 199.257 1.645 10 0 ADAEMO C[C@@H]1CCCC[C@@H]1OC(=O)C[NH3+] 48633340 572682388 /nfs/dbraw/zinc/68/23/88/572682388.db2.gz BUVNOWJVEYCWRO-SFYZADRCSA-N 1 1 171.240 1.067 10 0 ADAEMO C[C@@H](CCO)Sc1cc(N)cc[nH+]1 85142143 572682459 /nfs/dbraw/zinc/68/24/59/572682459.db2.gz XUYIJBIXWPVBRM-ZETCQYMHSA-N 1 1 198.291 1.527 10 0 ADAEMO C[C@H]([NH3+])C(=O)O[C@@H]1CCCC[C@@H]1C 48633858 572682490 /nfs/dbraw/zinc/68/24/90/572682490.db2.gz FBCMNYSHUKBPDJ-XHNCKOQMSA-N 1 1 185.267 1.456 10 0 ADAEMO CCC[NH2+][C@]1(C(F)F)CCOC1 87689227 572682715 /nfs/dbraw/zinc/68/27/15/572682715.db2.gz OTPKKAVDPGGJEM-MRVPVSSYSA-N 1 1 179.210 1.410 10 0 ADAEMO C[NH2+][C@](C)(CCOC)C(F)F 87688392 572683022 /nfs/dbraw/zinc/68/30/22/572683022.db2.gz KMHRAVHVJVSLOC-SSDOTTSWSA-N 1 1 167.199 1.266 10 0 ADAEMO C[C@H]([NH3+])C(=O)O[C@@H]1CCCC[C@H]1C 48633856 572683105 /nfs/dbraw/zinc/68/31/05/572683105.db2.gz FBCMNYSHUKBPDJ-HRDYMLBCSA-N 1 1 185.267 1.456 10 0 ADAEMO CC[NH2+][C@@](C)(CCOC)C(F)F 87688846 572683130 /nfs/dbraw/zinc/68/31/30/572683130.db2.gz KQVBPIGGLMVOJE-QMMMGPOBSA-N 1 1 181.226 1.656 10 0 ADAEMO CCC[NH2+][C@]1(C(F)F)CCCOC1 87689351 572683140 /nfs/dbraw/zinc/68/31/40/572683140.db2.gz YUWDZWSXLJWQCX-SECBINFHSA-N 1 1 193.237 1.800 10 0 ADAEMO CCCN[C@]1(C(F)F)CCN(C)C1 87689349 572683153 /nfs/dbraw/zinc/68/31/53/572683153.db2.gz OKCHIKBDFFVVHA-SECBINFHSA-N 1 1 192.253 1.325 10 0 ADAEMO C[NH2+][C@@](COC)(C(F)F)C1CC1 87688684 572683170 /nfs/dbraw/zinc/68/31/70/572683170.db2.gz ATBOYKNHRWRFGJ-MRVPVSSYSA-N 1 1 179.210 1.266 10 0 ADAEMO CC[C@@](COC)([NH2+]C)C(F)F 87688469 572683177 /nfs/dbraw/zinc/68/31/77/572683177.db2.gz CRKBZXLLEQEQNF-ZETCQYMHSA-N 1 1 167.199 1.266 10 0 ADAEMO CC[NH2+][C@@](CC)(COC)C(F)F 87688913 572683254 /nfs/dbraw/zinc/68/32/54/572683254.db2.gz INBBHFUFYTWJGD-QMMMGPOBSA-N 1 1 181.226 1.656 10 0 ADAEMO C[C@H]([NH3+])C(=O)O[C@H]1CCCC[C@@H]1C 48633854 572683300 /nfs/dbraw/zinc/68/33/00/572683300.db2.gz FBCMNYSHUKBPDJ-CIUDSAMLSA-N 1 1 185.267 1.456 10 0 ADAEMO CCCN[C@@]1(C(F)F)CCN(C)C1 87689350 572683351 /nfs/dbraw/zinc/68/33/51/572683351.db2.gz OKCHIKBDFFVVHA-VIFPVBQESA-N 1 1 192.253 1.325 10 0 ADAEMO C[NH2+][C@@](COC)(C(C)C)C(F)F 87688803 572683384 /nfs/dbraw/zinc/68/33/84/572683384.db2.gz AUCGHYJXUOIDLH-QMMMGPOBSA-N 1 1 181.226 1.512 10 0 ADAEMO Cc1ccc(CO)c(N(C)C2CC2)[nH+]1 688710380 572683647 /nfs/dbraw/zinc/68/36/47/572683647.db2.gz NCUHGIRPJNUIBF-UHFFFAOYSA-N 1 1 192.262 1.481 10 0 ADAEMO C[C@@H]1CCCC[C@H]1OC(=O)C[NH3+] 48633344 572683648 /nfs/dbraw/zinc/68/36/48/572683648.db2.gz BUVNOWJVEYCWRO-HTQZYQBOSA-N 1 1 171.240 1.067 10 0 ADAEMO CC[C@](C)(O)C[N@@H+](C)C(C)(C)C 394255344 572683753 /nfs/dbraw/zinc/68/37/53/572683753.db2.gz GWOIJBXHGZTDPC-JTQLQIEISA-N 1 1 173.300 1.878 10 0 ADAEMO CCC[C@H]1C[C@@H]1[NH2+]C[C@H](C)N 307869931 572683855 /nfs/dbraw/zinc/68/38/55/572683855.db2.gz IKQCXLMUPCINNU-CIUDSAMLSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@H](CNC[C@H]1[NH2+]CC[C@H]1C)C1CC1 299895634 572683901 /nfs/dbraw/zinc/68/39/01/572683901.db2.gz ADOPNXRPNCGWOL-CKYFFXLPSA-N 1 1 196.338 1.620 10 0 ADAEMO C[C@H](C1CC1)N1C[C@H]2CCC[NH2+][C@H]2C1 299894457 572683945 /nfs/dbraw/zinc/68/39/45/572683945.db2.gz WTNIEXMWMYFVPA-JLLWLGSASA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@H](C1CC1)[N@@H+]1C[C@H]2CCCN[C@H]2C1 299894457 572683950 /nfs/dbraw/zinc/68/39/50/572683950.db2.gz WTNIEXMWMYFVPA-JLLWLGSASA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@H]([NH3+])C(=O)O[C@H]1CCCC[C@H]1C 48633852 572683988 /nfs/dbraw/zinc/68/39/88/572683988.db2.gz FBCMNYSHUKBPDJ-VGMNWLOBSA-N 1 1 185.267 1.456 10 0 ADAEMO C[C@H](C1CC1)[N@@H+]1C[C@H]2NCCC[C@@H]2C1 299894459 572684278 /nfs/dbraw/zinc/68/42/78/572684278.db2.gz WTNIEXMWMYFVPA-YUSALJHKSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@H](C1CC1)N1C[C@H]2[NH2+]CCC[C@@H]2C1 299894459 572684265 /nfs/dbraw/zinc/68/42/65/572684265.db2.gz WTNIEXMWMYFVPA-YUSALJHKSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1C[C@H]2NCCC[C@@H]2C1 299894459 572684271 /nfs/dbraw/zinc/68/42/71/572684271.db2.gz WTNIEXMWMYFVPA-YUSALJHKSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@H]1CCCC[C@H]1OC(=O)C[NH3+] 48633346 572684554 /nfs/dbraw/zinc/68/45/54/572684554.db2.gz BUVNOWJVEYCWRO-JGVFFNPUSA-N 1 1 171.240 1.067 10 0 ADAEMO C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)C(F)F 299895053 572684571 /nfs/dbraw/zinc/68/45/71/572684571.db2.gz DTFUEGMXRXVGTO-XLPZGREQSA-N 1 1 193.237 1.391 10 0 ADAEMO CC(C)CC[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299894720 572684618 /nfs/dbraw/zinc/68/46/18/572684618.db2.gz ZOZAPASLZHREAI-RYUDHWBXSA-N 1 1 196.338 1.716 10 0 ADAEMO C/C(=C/Cl)C[N@H+](C)C[C@H](C)O 307870013 572684771 /nfs/dbraw/zinc/68/47/71/572684771.db2.gz IOPANUKGEKVFHA-NZGHECTNSA-N 1 1 177.675 1.442 10 0 ADAEMO CC(C)CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299894719 572684816 /nfs/dbraw/zinc/68/48/16/572684816.db2.gz ZOZAPASLZHREAI-NEPJUHHUSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)C(F)F 299895052 572684835 /nfs/dbraw/zinc/68/48/35/572684835.db2.gz DTFUEGMXRXVGTO-BIIVOSGPSA-N 1 1 193.237 1.391 10 0 ADAEMO CCC(C)(C)c1nnc2n1CC[NH2+]C2 54404478 572684919 /nfs/dbraw/zinc/68/49/19/572684919.db2.gz TUTXLAXAMDWECM-UHFFFAOYSA-N 1 1 194.282 1.069 10 0 ADAEMO CCCSc1nccnc1C(N)=[NH2+] 54381132 572685070 /nfs/dbraw/zinc/68/50/70/572685070.db2.gz UFMKAAARHTVYEE-UHFFFAOYSA-N 1 1 196.279 1.263 10 0 ADAEMO Cc1cccc([C@@H]([NH3+])c2ncccn2)c1 37467240 572685163 /nfs/dbraw/zinc/68/51/63/572685163.db2.gz MYNIIKCYSVRBHA-LLVKDONJSA-N 1 1 199.257 1.833 10 0 ADAEMO C/C(=C/Cl)C[N@H+](C)C[C@@H](C)O 307870016 572685436 /nfs/dbraw/zinc/68/54/36/572685436.db2.gz IOPANUKGEKVFHA-RBMBQVQZSA-N 1 1 177.675 1.442 10 0 ADAEMO CCN[C@@H]1CCCC[C@@H]1[NH2+]CC 116415675 572685557 /nfs/dbraw/zinc/68/55/57/572685557.db2.gz QQHMNKRUMYTFHL-AOOOYVTPSA-N 1 1 170.300 1.517 10 0 ADAEMO CCN[C@H]1CCCC[C@H]1[NH2+]CC 116415675 572685561 /nfs/dbraw/zinc/68/55/61/572685561.db2.gz QQHMNKRUMYTFHL-AOOOYVTPSA-N 1 1 170.300 1.517 10 0 ADAEMO C[C@H](O)C[C@H](C)[NH2+][C@H](C)C(F)F 299895989 572685726 /nfs/dbraw/zinc/68/57/26/572685726.db2.gz KVUGKNJLQCBKEP-LYFYHCNISA-N 1 1 181.226 1.389 10 0 ADAEMO C[C@H](O)/C=C1\C[C@H](C)[N@H+](C2CC2)C1 308094732 572685814 /nfs/dbraw/zinc/68/58/14/572685814.db2.gz YBEZIYFINLFZPW-PPLPVMGGSA-N 1 1 181.279 1.550 10 0 ADAEMO C[NH+](C)CCn1[nH]c(C2CC2)cc1=O 116397304 572686546 /nfs/dbraw/zinc/68/65/46/572686546.db2.gz LUWHJXPGJIENDM-UHFFFAOYSA-N 1 1 195.266 1.028 10 0 ADAEMO C[C@@H]1C[C@@H]1CNC[C@@H]1[NH2+]CC[C@H]1C 299896251 572686370 /nfs/dbraw/zinc/68/63/70/572686370.db2.gz JGOFYHWHTFWLRC-DBIOUOCHSA-N 1 1 182.311 1.230 10 0 ADAEMO CCC[C@H]1C[C@H]1[NH2+]C[C@H](C)N 307869933 572686468 /nfs/dbraw/zinc/68/64/68/572686468.db2.gz IKQCXLMUPCINNU-XHNCKOQMSA-N 1 1 156.273 1.112 10 0 ADAEMO CCN[C@@H]1CCCC[C@H]1[NH2+]CC 116415679 572686562 /nfs/dbraw/zinc/68/65/62/572686562.db2.gz QQHMNKRUMYTFHL-NXEZZACHSA-N 1 1 170.300 1.517 10 0 ADAEMO CC[C@H](C)NC[C@H]1[NH2+]CC[C@H]1C 299895847 572686744 /nfs/dbraw/zinc/68/67/44/572686744.db2.gz DCLCTLJGMSOGOU-KXUCPTDWSA-N 1 1 170.300 1.373 10 0 ADAEMO NCC1([N@@H+](CC2CC2)C2CC2)CC1 236161271 572686841 /nfs/dbraw/zinc/68/68/41/572686841.db2.gz XOOYPTQFDVZPMY-UHFFFAOYSA-N 1 1 180.295 1.352 10 0 ADAEMO [NH3+]CC1(N(CC2CC2)C2CC2)CC1 236161271 572686846 /nfs/dbraw/zinc/68/68/46/572686846.db2.gz XOOYPTQFDVZPMY-UHFFFAOYSA-N 1 1 180.295 1.352 10 0 ADAEMO C[C@@H]1C[C@@H]1C[NH2+][C@H](CN)c1ccoc1 252960115 572688595 /nfs/dbraw/zinc/68/85/95/572688595.db2.gz MVVHEQXDJYTXDX-FBIMIBRVSA-N 1 1 194.278 1.525 10 0 ADAEMO C[C@@H]1C[C@@H]1C[NH2+][C@H](CN)c1ccco1 252971966 572687057 /nfs/dbraw/zinc/68/70/57/572687057.db2.gz YUTSFEHOUUKKOJ-OPRDCNLKSA-N 1 1 194.278 1.525 10 0 ADAEMO C[C@H]1CC[NH2+][C@@H]1CNC[C@H]1C[C@H]1C 299896253 572687207 /nfs/dbraw/zinc/68/72/07/572687207.db2.gz JGOFYHWHTFWLRC-LNFKQOIKSA-N 1 1 182.311 1.230 10 0 ADAEMO CCCC[NH2+]C[C@@H]1CCC[C@@H](C)N1 66147366 572687312 /nfs/dbraw/zinc/68/73/12/572687312.db2.gz JNFLSMANYPILPW-MNOVXSKESA-N 1 1 184.327 1.907 10 0 ADAEMO CCOc1ccc(C)cc1C(=O)C[NH3+] 74368297 572687327 /nfs/dbraw/zinc/68/73/27/572687327.db2.gz IQELQAOVXKQPPH-UHFFFAOYSA-N 1 1 193.246 1.535 10 0 ADAEMO C[C@@H]1C[C@H]1C[NH2+][C@H](CN)c1ccco1 252971965 572688874 /nfs/dbraw/zinc/68/88/74/572688874.db2.gz YUTSFEHOUUKKOJ-KXUCPTDWSA-N 1 1 194.278 1.525 10 0 ADAEMO CCCCCc1[nH]nc(C)c1C[NH3+] 66135516 572687612 /nfs/dbraw/zinc/68/76/12/572687612.db2.gz OXAGBFJLYNIOOH-UHFFFAOYSA-N 1 1 181.283 1.910 10 0 ADAEMO CCN[C@H]1CCCC[C@@H]1[NH2+]CC 116415677 572687623 /nfs/dbraw/zinc/68/76/23/572687623.db2.gz QQHMNKRUMYTFHL-UWVGGRQHSA-N 1 1 170.300 1.517 10 0 ADAEMO CCn1c[nH+]cc1CC[C@H](C)O 85184555 572687744 /nfs/dbraw/zinc/68/77/44/572687744.db2.gz KGQNPHXOHQYSFQ-QMMMGPOBSA-N 1 1 168.240 1.216 10 0 ADAEMO COCCC[NH2+]c1ccc(N)cc1N 66153356 572687777 /nfs/dbraw/zinc/68/77/77/572687777.db2.gz HUXPQEIPMDATTM-UHFFFAOYSA-N 1 1 195.266 1.299 10 0 ADAEMO CCCC[NH2+]C[C@H]1CCC[C@@H](C)N1 66147367 572687785 /nfs/dbraw/zinc/68/77/85/572687785.db2.gz JNFLSMANYPILPW-GHMZBOCLSA-N 1 1 184.327 1.907 10 0 ADAEMO CCC[NH2+]c1ccc(N)cc1N 66153311 572687881 /nfs/dbraw/zinc/68/78/81/572687881.db2.gz GTGWMSHBTQPBEZ-UHFFFAOYSA-N 1 1 165.240 1.673 10 0 ADAEMO CCCn1c[nH+]cc1CC[C@H](C)O 85186750 572691063 /nfs/dbraw/zinc/69/10/63/572691063.db2.gz YXTFFJMBSFIWEK-VIFPVBQESA-N 1 1 182.267 1.607 10 0 ADAEMO Cc1cc(-c2nnc(C[NH3+])o2)c(C)o1 48694620 572687958 /nfs/dbraw/zinc/68/79/58/572687958.db2.gz BOYOQQYZAWQPRR-UHFFFAOYSA-N 1 1 193.206 1.405 10 0 ADAEMO C[C@H]([NH2+]CCc1ccn[nH]1)C1(C)CC1 714530190 572688127 /nfs/dbraw/zinc/68/81/27/572688127.db2.gz ARJMGRGNXJXHGW-VIFPVBQESA-N 1 1 193.294 1.730 10 0 ADAEMO CC[C@H](C)NC[C@@H]1[NH2+]CC[C@H]1C 299895848 572688427 /nfs/dbraw/zinc/68/84/27/572688427.db2.gz DCLCTLJGMSOGOU-UTLUCORTSA-N 1 1 170.300 1.373 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(N[C@@H]2CC2(C)C)o1 235205695 572688451 /nfs/dbraw/zinc/68/84/51/572688451.db2.gz RKKNCEGCFOOGFB-PHDIDXHHSA-N 1 1 196.254 1.300 10 0 ADAEMO CC(C)[NH2+]c1ccc(N)cc1N 66153305 572688710 /nfs/dbraw/zinc/68/87/10/572688710.db2.gz RDWUQBPQRYNVAW-UHFFFAOYSA-N 1 1 165.240 1.671 10 0 ADAEMO C[C@@H]1C[C@@H]1CNC[C@H]1[NH2+]CC[C@H]1C 299896252 572688962 /nfs/dbraw/zinc/68/89/62/572688962.db2.gz JGOFYHWHTFWLRC-GWOFURMSSA-N 1 1 182.311 1.230 10 0 ADAEMO CC[NH2+]Cc1c(C)n[nH]c1C1CC1 66135306 572689053 /nfs/dbraw/zinc/68/90/53/572689053.db2.gz WXSOEPYBUASFJK-UHFFFAOYSA-N 1 1 179.267 1.705 10 0 ADAEMO CCn1c[nH+]cc1CC[C@@H](C)O 85184554 572689271 /nfs/dbraw/zinc/68/92/71/572689271.db2.gz KGQNPHXOHQYSFQ-MRVPVSSYSA-N 1 1 168.240 1.216 10 0 ADAEMO CC[NH2+]Cc1c(C)n[nH]c1CC 66135254 572689343 /nfs/dbraw/zinc/68/93/43/572689343.db2.gz RLVPHRQJUMTCHB-UHFFFAOYSA-N 1 1 167.256 1.390 10 0 ADAEMO C[C@H](O)C[C@@H](C)[NH2+][C@H](C)C(F)F 299895988 572689427 /nfs/dbraw/zinc/68/94/27/572689427.db2.gz KVUGKNJLQCBKEP-DSYKOEDSSA-N 1 1 181.226 1.389 10 0 ADAEMO CCNC[C@H]1CCC[C@H](C)[NH2+]1 66147102 572689619 /nfs/dbraw/zinc/68/96/19/572689619.db2.gz BSIXAFONMXGFPU-DTWKUNHWSA-N 1 1 156.273 1.127 10 0 ADAEMO C[NH2+]Cc1c(C)n[nH]c1C(C)(C)C 66135337 572689782 /nfs/dbraw/zinc/68/97/82/572689782.db2.gz CLOFRSUYRYPGHE-UHFFFAOYSA-N 1 1 181.283 1.735 10 0 ADAEMO CCCc1[nH]nc(C)c1C[NH2+]C 66135289 572689846 /nfs/dbraw/zinc/68/98/46/572689846.db2.gz AOAZZZAQXVPYDJ-UHFFFAOYSA-N 1 1 167.256 1.390 10 0 ADAEMO CCCc1[nH]nc(C)c1C[NH2+]CC 66135290 572689982 /nfs/dbraw/zinc/68/99/82/572689982.db2.gz QLAHIYDXULMEGJ-UHFFFAOYSA-N 1 1 181.283 1.780 10 0 ADAEMO CCNC[C@@H]1CCC[C@@H](C)[NH2+]1 66147104 572690025 /nfs/dbraw/zinc/69/00/25/572690025.db2.gz BSIXAFONMXGFPU-BDAKNGLRSA-N 1 1 156.273 1.127 10 0 ADAEMO CCCC[NH2+]C[C@@H]1CCC[C@H](C)N1 66147363 572690356 /nfs/dbraw/zinc/69/03/56/572690356.db2.gz JNFLSMANYPILPW-QWRGUYRKSA-N 1 1 184.327 1.907 10 0 ADAEMO CCNC[C@H]1CCC[C@@H](C)[NH2+]1 66147105 572690443 /nfs/dbraw/zinc/69/04/43/572690443.db2.gz BSIXAFONMXGFPU-RKDXNWHRSA-N 1 1 156.273 1.127 10 0 ADAEMO C[C@@H]1C[C@H]1C[NH2+][C@H](CN)c1ccoc1 252960114 572690505 /nfs/dbraw/zinc/69/05/05/572690505.db2.gz MVVHEQXDJYTXDX-DVVUODLYSA-N 1 1 194.278 1.525 10 0 ADAEMO CC(C)n1c[nH+]cc1CC[C@@H](C)O 85188614 572690646 /nfs/dbraw/zinc/69/06/46/572690646.db2.gz 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/nfs/dbraw/zinc/69/10/57/572691057.db2.gz BEVGDDHLSGPKLD-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CC(C)N1CC[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 253485034 572691224 /nfs/dbraw/zinc/69/12/24/572691224.db2.gz LMHBBNMCVZVVPH-AXFHLTTASA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@H](O)CCc1c[nH+]cn1C1CC1 85190297 572691423 /nfs/dbraw/zinc/69/14/23/572691423.db2.gz XBEXFFPQTWCTDR-QMMMGPOBSA-N 1 1 180.251 1.531 10 0 ADAEMO C[C@@H]1[C@H]2CC(=O)C[C@H]2CC[N@H+]1C 253485859 572691842 /nfs/dbraw/zinc/69/18/42/572691842.db2.gz RSNCGYHKNDLPSE-NQMVMOMDSA-N 1 1 167.252 1.306 10 0 ADAEMO CC(C)N1CC[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 253485036 572691912 /nfs/dbraw/zinc/69/19/12/572691912.db2.gz LMHBBNMCVZVVPH-HBNTYKKESA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1[C@H]2C[NH2+]C[C@H]2CCN1C1CC1 253485702 572692210 /nfs/dbraw/zinc/69/22/10/572692210.db2.gz QMQPQOWZOIHHFT-FXPVBKGRSA-N 1 1 180.295 1.079 10 0 ADAEMO C[C@@H]1[C@H]2[C@H](CCN1C)[NH2+]CCC2(C)C 253485635 572692219 /nfs/dbraw/zinc/69/22/19/572692219.db2.gz PZHVDHBZTIEFJA-VWYCJHECSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@@H]1[C@@H]2[C@H](CCN1C)[NH2+]CCC2(C)C 253485634 572692267 /nfs/dbraw/zinc/69/22/67/572692267.db2.gz PZHVDHBZTIEFJA-OUAUKWLOSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[NH2+][C@@H](CN)c1cncn1C(C)C 85188624 572692358 /nfs/dbraw/zinc/69/23/58/572692358.db2.gz HGSCBJDFYPINLG-VIFPVBQESA-N 1 1 196.298 1.073 10 0 ADAEMO CC[C@H](C)C[N@H+]1CCNC[C@H](C)C1 54490891 572692660 /nfs/dbraw/zinc/69/26/60/572692660.db2.gz SQXFNSIHYHAIDP-QWRGUYRKSA-N 1 1 184.327 1.574 10 0 ADAEMO C[C@@H]1CCC[N@H+]1C[C@H]1COCCC1=O 299969293 572692684 /nfs/dbraw/zinc/69/26/84/572692684.db2.gz PVODFXRPECRUML-ZJUUUORDSA-N 1 1 197.278 1.076 10 0 ADAEMO C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CCN1C1CC1 253485703 572692905 /nfs/dbraw/zinc/69/29/05/572692905.db2.gz QMQPQOWZOIHHFT-KKZNHRDASA-N 1 1 180.295 1.079 10 0 ADAEMO CC(C)N1CC[C@@H]2C[NH2+]C[C@H]2[C@H]1C 253485037 572694112 /nfs/dbraw/zinc/69/41/12/572694112.db2.gz LMHBBNMCVZVVPH-MXWKQRLJSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H](Cc1ccccc1)[N@@H+](C)CO 238410222 572693045 /nfs/dbraw/zinc/69/30/45/572693045.db2.gz RWJYMFYQEKUQAQ-JTQLQIEISA-N 1 1 179.263 1.499 10 0 ADAEMO C[C@@H]1[C@@H]2CCC(=O)C[C@H]2CC[N@H+]1C 253485331 572693067 /nfs/dbraw/zinc/69/30/67/572693067.db2.gz NRSKSEUUDIAYDJ-KKZNHRDASA-N 1 1 181.279 1.696 10 0 ADAEMO CC[C@@H](C)C[NH2+]C[C@H](N)CC(C)C 54488721 572693114 /nfs/dbraw/zinc/69/31/14/572693114.db2.gz KPJUWHGFBFIEPW-GHMZBOCLSA-N 1 1 186.343 1.996 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2CC2)[C@H]1CN 299970263 572693150 /nfs/dbraw/zinc/69/31/50/572693150.db2.gz NKTLAGQGSHFCJS-SCZZXKLOSA-N 1 1 168.284 1.066 10 0 ADAEMO CC[C@@H](C)C[N@H+]1CCNC[C@H](C)C1 54490889 572694121 /nfs/dbraw/zinc/69/41/21/572694121.db2.gz SQXFNSIHYHAIDP-MNOVXSKESA-N 1 1 184.327 1.574 10 0 ADAEMO CC[C@@H](C)CN1CC[NH2+]C[C@H](C)C1 54490889 572694122 /nfs/dbraw/zinc/69/41/22/572694122.db2.gz SQXFNSIHYHAIDP-MNOVXSKESA-N 1 1 184.327 1.574 10 0 ADAEMO CC[N@H+](C)CCNc1cccc(N)n1 87726296 572693380 /nfs/dbraw/zinc/69/33/80/572693380.db2.gz MKUSSERWGNZFBN-UHFFFAOYSA-N 1 1 194.282 1.027 10 0 ADAEMO CC[N@@H+](C)CCNc1cccc(N)n1 87726296 572693386 /nfs/dbraw/zinc/69/33/86/572693386.db2.gz MKUSSERWGNZFBN-UHFFFAOYSA-N 1 1 194.282 1.027 10 0 ADAEMO CC1(C)C[C@@H]1[NH2+]Cc1ncccn1 54459687 572693471 /nfs/dbraw/zinc/69/34/71/572693471.db2.gz SFFSSYRMDRBMMZ-QMMMGPOBSA-N 1 1 177.251 1.365 10 0 ADAEMO CC(C)N1CC[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 253485035 572693488 /nfs/dbraw/zinc/69/34/88/572693488.db2.gz LMHBBNMCVZVVPH-GMTAPVOTSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1[C@H]2CCC(=O)C[C@H]2CC[N@H+]1C 253485330 572694064 /nfs/dbraw/zinc/69/40/64/572694064.db2.gz NRSKSEUUDIAYDJ-FXPVBKGRSA-N 1 1 181.279 1.696 10 0 ADAEMO C[C@H]1CCC[N@H+]1C[C@H]1COCCC1=O 299969291 572694307 /nfs/dbraw/zinc/69/43/07/572694307.db2.gz PVODFXRPECRUML-UWVGGRQHSA-N 1 1 197.278 1.076 10 0 ADAEMO CC(C)n1c[nH+]cc1CC[C@H](C)O 85188615 572694552 /nfs/dbraw/zinc/69/45/52/572694552.db2.gz KGWPWESRZXHJSO-VIFPVBQESA-N 1 1 182.267 1.777 10 0 ADAEMO CC[NH2+][C@H](CN)c1cncn1C(C)C 85188626 572694716 /nfs/dbraw/zinc/69/47/16/572694716.db2.gz HGSCBJDFYPINLG-SECBINFHSA-N 1 1 196.298 1.073 10 0 ADAEMO CCc1cc(NN)[nH+]c(CSC)n1 54497260 572694750 /nfs/dbraw/zinc/69/47/50/572694750.db2.gz ZZEKDDOUPGUAAP-UHFFFAOYSA-N 1 1 198.295 1.188 10 0 ADAEMO CC[C@@H](C)NCC[NH2+]CCCOC 66190516 572694793 /nfs/dbraw/zinc/69/47/93/572694793.db2.gz FHWADPQZFOKCDS-SNVBAGLBSA-N 1 1 188.315 1.001 10 0 ADAEMO C[C@@H](O)CCc1c[nH+]cn1C1CC1 85190298 572694813 /nfs/dbraw/zinc/69/48/13/572694813.db2.gz XBEXFFPQTWCTDR-MRVPVSSYSA-N 1 1 180.251 1.531 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CC2)[C@H]1CN 299970264 572694849 /nfs/dbraw/zinc/69/48/49/572694849.db2.gz NKTLAGQGSHFCJS-WPRPVWTQSA-N 1 1 168.284 1.066 10 0 ADAEMO CC[C@H](C)NCC[NH2+]CCCOC 66190518 572695010 /nfs/dbraw/zinc/69/50/10/572695010.db2.gz FHWADPQZFOKCDS-JTQLQIEISA-N 1 1 188.315 1.001 10 0 ADAEMO CCCCNCC[NH2+]CCCOC 66188463 572695041 /nfs/dbraw/zinc/69/50/41/572695041.db2.gz IVMXFCUIRBOBSE-UHFFFAOYSA-N 1 1 188.315 1.002 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccn(C)c2)N1 714532144 572695268 /nfs/dbraw/zinc/69/52/68/572695268.db2.gz RALQDFPHBGFVPQ-MIMYLULJSA-N 1 1 193.294 1.165 10 0 ADAEMO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccn(C)c2)N1 714532139 572695948 /nfs/dbraw/zinc/69/59/48/572695948.db2.gz RALQDFPHBGFVPQ-IEBDPFPHSA-N 1 1 193.294 1.165 10 0 ADAEMO Nc1cc[nH+]c(SCCCO)c1 85162512 572696043 /nfs/dbraw/zinc/69/60/43/572696043.db2.gz FPHSYPPVJDDIDT-UHFFFAOYSA-N 1 1 184.264 1.138 10 0 ADAEMO CC1(C)C[C@H]1[NH2+]Cc1ncccn1 54459689 572696178 /nfs/dbraw/zinc/69/61/78/572696178.db2.gz SFFSSYRMDRBMMZ-MRVPVSSYSA-N 1 1 177.251 1.365 10 0 ADAEMO CC[C@H](C)C[NH2+]CC(=O)OC(C)C 54470230 572696224 /nfs/dbraw/zinc/69/62/24/572696224.db2.gz XCLQLSFHPJUCBU-VIFPVBQESA-N 1 1 187.283 1.574 10 0 ADAEMO CN(C)CC[N@@H+](C)C1CCCCC1 66189111 572696386 /nfs/dbraw/zinc/69/63/86/572696386.db2.gz WCGQUKFKDUUWTM-UHFFFAOYSA-N 1 1 184.327 1.813 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])C[C@H](c2ccn(C)c2)N1 714532129 572696720 /nfs/dbraw/zinc/69/67/20/572696720.db2.gz RALQDFPHBGFVPQ-DVVUODLYSA-N 1 1 193.294 1.165 10 0 ADAEMO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccn(C)c2)N1 714532134 572696979 /nfs/dbraw/zinc/69/69/79/572696979.db2.gz RALQDFPHBGFVPQ-FBIMIBRVSA-N 1 1 193.294 1.165 10 0 ADAEMO [NH3+][C@@H](c1nc(C2CC2)no1)C1CC1 54502780 572697726 /nfs/dbraw/zinc/69/77/26/572697726.db2.gz KHBQSBBJRVBMHC-SSDOTTSWSA-N 1 1 179.223 1.357 10 0 ADAEMO CCc1noc([C@H]([NH3+])C2CC2)n1 54502705 572697745 /nfs/dbraw/zinc/69/77/45/572697745.db2.gz ONZTUUKNDBUKHX-SSDOTTSWSA-N 1 1 167.212 1.042 10 0 ADAEMO CCC[NH2+]C[C@H](N)CCSC 307871694 572697869 /nfs/dbraw/zinc/69/78/69/572697869.db2.gz JXYMAKVHDGDJJN-MRVPVSSYSA-N 1 1 176.329 1.066 10 0 ADAEMO CC(C)c1noc([C@H]([NH3+])C2CC2)n1 54502670 572697908 /nfs/dbraw/zinc/69/79/08/572697908.db2.gz GPEFEEHLSWJYMM-SSDOTTSWSA-N 1 1 181.239 1.603 10 0 ADAEMO CCc1noc([C@@H]([NH3+])C2CC2)n1 54502708 572700163 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WZIJYPIBEXZHMD-VIFPVBQESA-N 1 1 195.253 1.638 10 0 ADAEMO C[C@@]([NH3+])(CF)Oc1cccc(C=O)c1 238434327 572703557 /nfs/dbraw/zinc/70/35/57/572703557.db2.gz APJQSTQFSZTHSW-JTQLQIEISA-N 1 1 197.209 1.522 10 0 ADAEMO [NH3+]C1C[C@@H]2CCC[C@H](C1)N2C1CCC1 54602325 572703592 /nfs/dbraw/zinc/70/35/92/572703592.db2.gz PYBHTDPEOURHFV-CLYYMRHHSA-N 1 1 194.322 1.883 10 0 ADAEMO C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2CC(C)C 54603343 572703692 /nfs/dbraw/zinc/70/36/92/572703692.db2.gz UBZNPPZCQSVHQC-YOGCLGLASA-N 1 1 196.338 1.857 10 0 ADAEMO C[C@@H](CC1CC1)[N@H+]1CCC[C@H](N)C1 70585530 572703721 /nfs/dbraw/zinc/70/37/21/572703721.db2.gz RIPRVDRABXHNMT-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C1CC1 54603340 572703724 /nfs/dbraw/zinc/70/37/24/572703724.db2.gz COKYAXMNMJVSBD-CLYYMRHHSA-N 1 1 194.322 1.754 10 0 ADAEMO C[C@@H](CC1CC1)N1CCC[C@H]([NH3+])C1 70585530 572703727 /nfs/dbraw/zinc/70/37/27/572703727.db2.gz RIPRVDRABXHNMT-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO 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MZFBNHPFQPIUFE-VIFPVBQESA-N 1 1 174.263 1.030 10 0 ADAEMO CC[N@H+]1CCC[C@H]1CNCCF 87774662 572706919 /nfs/dbraw/zinc/70/69/19/572706919.db2.gz MZFBNHPFQPIUFE-VIFPVBQESA-N 1 1 174.263 1.030 10 0 ADAEMO C/C=C\C[N@H+]1CC[C@H](C)C1 207512062 572706979 /nfs/dbraw/zinc/70/69/79/572706979.db2.gz CQFIXBJGBDOIAA-TYRPZCRBSA-N 1 1 139.242 1.904 10 0 ADAEMO [NH3+]CCCN(CCF)C1CCCC1 87774440 572707437 /nfs/dbraw/zinc/70/74/37/572707437.db2.gz CUIXTTHONKTXCG-UHFFFAOYSA-N 1 1 188.290 1.549 10 0 ADAEMO C[N@@H+](CCF)Cc1cccc(N)c1 87775876 572709835 /nfs/dbraw/zinc/70/98/35/572709835.db2.gz ZNJUZURJPWXPCG-UHFFFAOYSA-N 1 1 182.242 1.670 10 0 ADAEMO COC(=O)C[NH2+][C@@H]1CCC(C)(C)C1 87769210 572707905 /nfs/dbraw/zinc/70/79/05/572707905.db2.gz HYANXNGDUZCNLI-MRVPVSSYSA-N 1 1 185.267 1.328 10 0 ADAEMO CC[NH2+][C@@]1(C(=O)OC)CCC(C)(C)C1 87772739 572708110 /nfs/dbraw/zinc/70/81/10/572708110.db2.gz YOQUSEFVDRDHJA-NSHDSACASA-N 1 1 199.294 1.718 10 0 ADAEMO CCOC(=O)C[NH2+][C@@H]1CCC(C)(C)C1 87771082 572708593 /nfs/dbraw/zinc/70/85/93/572708593.db2.gz ATRDFDJBZIEHNN-SECBINFHSA-N 1 1 199.294 1.718 10 0 ADAEMO C/C=C\c1nnc([C@H](C)[NH3+])o1 307879270 572708631 /nfs/dbraw/zinc/70/86/31/572708631.db2.gz QCHDDDCZVJEQAQ-XUELKZDXSA-N 1 1 153.185 1.122 10 0 ADAEMO CC[NH2+][C@]1(C(=O)OC)CCC(C)(C)C1 87772738 572708723 /nfs/dbraw/zinc/70/87/23/572708723.db2.gz YOQUSEFVDRDHJA-LLVKDONJSA-N 1 1 199.294 1.718 10 0 ADAEMO CCC[N@H+](C1CNC1)[C@H](C)C(C)C 85270611 572714200 /nfs/dbraw/zinc/71/42/00/572714200.db2.gz CVYIYLJWNSRKAS-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H](C(C)C)[N@H+](CC)C1CNC1 85258580 572714496 /nfs/dbraw/zinc/71/44/96/572714496.db2.gz AULBONVPBRBVST-NSHDSACASA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H]1CC[N@H+]1CC(OC)OC 308095314 572709089 /nfs/dbraw/zinc/70/90/89/572709089.db2.gz XURBYTMHXYDKMN-MRVPVSSYSA-N 1 1 173.256 1.090 10 0 ADAEMO CC(C)[C@H](C[NH+](C)C)NCCF 87774930 572709175 /nfs/dbraw/zinc/70/91/75/572709175.db2.gz PPIHVDJCSWGRAE-VIFPVBQESA-N 1 1 176.279 1.132 10 0 ADAEMO CC[N@@H+](CCF)C[C@H](C)C(N)=S 87775476 572709298 /nfs/dbraw/zinc/70/92/98/572709298.db2.gz MFLHRQHYXCGCHC-ZETCQYMHSA-N 1 1 192.303 1.200 10 0 ADAEMO CC(C)[N@@H+](CCF)CCC(N)=S 87775480 572709343 /nfs/dbraw/zinc/70/93/43/572709343.db2.gz JKGDZCBUWHHMLD-UHFFFAOYSA-N 1 1 192.303 1.343 10 0 ADAEMO CC(=O)C[C@H]1CCCC[N@H+]1CCF 87775545 572709361 /nfs/dbraw/zinc/70/93/61/572709361.db2.gz UCILGSAILUUPJA-SNVBAGLBSA-N 1 1 187.258 1.790 10 0 ADAEMO C/C=C\c1nnc([C@@H](C)[NH3+])o1 307879268 572709588 /nfs/dbraw/zinc/70/95/88/572709588.db2.gz QCHDDDCZVJEQAQ-CLBPYYFESA-N 1 1 153.185 1.122 10 0 ADAEMO CCN(CC)C[C@H](C)[NH2+]CCF 87775041 572709653 /nfs/dbraw/zinc/70/96/53/572709653.db2.gz XCMSSONKLBTSMP-VIFPVBQESA-N 1 1 176.279 1.276 10 0 ADAEMO CCOc1cc[nH+]cc1CCO 308100094 572709750 /nfs/dbraw/zinc/70/97/50/572709750.db2.gz FZMGKOPTSYKMKR-UHFFFAOYSA-N 1 1 167.208 1.015 10 0 ADAEMO CC(C)C[C@H](C[NH+](C)C)NCCF 87774959 572709865 /nfs/dbraw/zinc/70/98/65/572709865.db2.gz ZBGQTVBLOHHGQF-SNVBAGLBSA-N 1 1 190.306 1.522 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1CNCCF 87774998 572709885 /nfs/dbraw/zinc/70/98/85/572709885.db2.gz WJWZDYPNROBAKB-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1CNCCF 87774998 572709888 /nfs/dbraw/zinc/70/98/88/572709888.db2.gz WJWZDYPNROBAKB-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO CN(CCF)[C@H]1CCCC[C@@H]1C[NH3+] 87776657 572710067 /nfs/dbraw/zinc/71/00/67/572710067.db2.gz WTSQSFARBZLDHJ-ZJUUUORDSA-N 1 1 188.290 1.405 10 0 ADAEMO CC[C@H]1CC[N@H+]1CC(OC)OC 308095315 572710115 /nfs/dbraw/zinc/71/01/15/572710115.db2.gz XURBYTMHXYDKMN-QMMMGPOBSA-N 1 1 173.256 1.090 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](CNCCF)C1 87775030 572710252 /nfs/dbraw/zinc/71/02/52/572710252.db2.gz SQUNGEDTMKBBDL-SNVBAGLBSA-N 1 1 188.290 1.276 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1CNCCF 87774999 572710292 /nfs/dbraw/zinc/71/02/92/572710292.db2.gz WJWZDYPNROBAKB-VIFPVBQESA-N 1 1 174.263 1.030 10 0 ADAEMO C[N@H+]1CCCC[C@H]1CNCCF 87774999 572710298 /nfs/dbraw/zinc/71/02/98/572710298.db2.gz WJWZDYPNROBAKB-VIFPVBQESA-N 1 1 174.263 1.030 10 0 ADAEMO CCCN(CCF)CC(C)(C)C[NH3+] 87776682 572710487 /nfs/dbraw/zinc/71/04/87/572710487.db2.gz LLPSMGGDSHBMAJ-UHFFFAOYSA-N 1 1 190.306 1.653 10 0 ADAEMO CC[C@H](C)[C@@H](C)[N@@H+](CC)C1CNC1 85258601 572714395 /nfs/dbraw/zinc/71/43/95/572714395.db2.gz UMQQAORPYJXXMM-VHSXEESVSA-N 1 1 184.327 1.715 10 0 ADAEMO C[N@@H+](CCNCCF)C1CCCC1 87775162 572710555 /nfs/dbraw/zinc/71/05/55/572710555.db2.gz IRKWLTDPFRMQJR-UHFFFAOYSA-N 1 1 188.290 1.420 10 0 ADAEMO C[C@H](CN1CCCC1)[NH2+]CCF 87774917 572710673 /nfs/dbraw/zinc/71/06/73/572710673.db2.gz UNJCKAIMWGHDFP-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO CC[C@H](O)C[N@@H+](C)CCOC(C)C 87782689 572716313 /nfs/dbraw/zinc/71/63/13/572716313.db2.gz VRTDSAUMPKWJCQ-JTQLQIEISA-N 1 1 189.299 1.114 10 0 ADAEMO NC(=S)CC[N@@H+](CCF)C1CC1 87775481 572710785 /nfs/dbraw/zinc/71/07/85/572710785.db2.gz MGXWGGZJCWVYPX-UHFFFAOYSA-N 1 1 190.287 1.097 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](CNCCF)C1 87775031 572711000 /nfs/dbraw/zinc/71/10/00/572711000.db2.gz SQUNGEDTMKBBDL-JTQLQIEISA-N 1 1 188.290 1.276 10 0 ADAEMO CCN(CCF)[C@@H]1CCC[C@@H]1C[NH3+] 87776654 572711188 /nfs/dbraw/zinc/71/11/88/572711188.db2.gz BSOOGJLOUQRIEE-NXEZZACHSA-N 1 1 188.290 1.405 10 0 ADAEMO CCN(CCF)[C@H]1CCC[C@@H]1C[NH3+] 87776655 572711229 /nfs/dbraw/zinc/71/12/29/572711229.db2.gz BSOOGJLOUQRIEE-ZJUUUORDSA-N 1 1 188.290 1.405 10 0 ADAEMO Cc1cccc(C[NH2+]CCF)n1 87775062 572711268 /nfs/dbraw/zinc/71/12/68/572711268.db2.gz PVBRUEBCBFTLTG-UHFFFAOYSA-N 1 1 168.215 1.449 10 0 ADAEMO CCN(CC)C[C@@H](C)[NH2+]CCF 87775040 572711381 /nfs/dbraw/zinc/71/13/81/572711381.db2.gz XCMSSONKLBTSMP-SECBINFHSA-N 1 1 176.279 1.276 10 0 ADAEMO CN(CCF)[C@@H]1CCCC[C@@H]1C[NH3+] 87776656 572711551 /nfs/dbraw/zinc/71/15/51/572711551.db2.gz WTSQSFARBZLDHJ-NXEZZACHSA-N 1 1 188.290 1.405 10 0 ADAEMO C[C@@]1(CNC2CCC2)CCC[NH2+]1 70619898 572711707 /nfs/dbraw/zinc/71/17/07/572711707.db2.gz NPWIBLUHBPIISW-JTQLQIEISA-N 1 1 168.284 1.271 10 0 ADAEMO C[C@@H](CN1CCCC1)[NH2+]CCF 87774916 572711897 /nfs/dbraw/zinc/71/18/97/572711897.db2.gz UNJCKAIMWGHDFP-VIFPVBQESA-N 1 1 174.263 1.030 10 0 ADAEMO CC(C)C[C@@H](C[NH+](C)C)NCCF 87774958 572711938 /nfs/dbraw/zinc/71/19/38/572711938.db2.gz ZBGQTVBLOHHGQF-JTQLQIEISA-N 1 1 190.306 1.522 10 0 ADAEMO CC(C)[C@@H](C[NH+](C)C)NCCF 87774929 572712054 /nfs/dbraw/zinc/71/20/54/572712054.db2.gz PPIHVDJCSWGRAE-SECBINFHSA-N 1 1 176.279 1.132 10 0 ADAEMO C[C@H](C[NH+]1CCCCC1)NCCF 87774938 572712124 /nfs/dbraw/zinc/71/21/24/572712124.db2.gz DQMQTYMSESNXRM-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO C[C@@H](CNCCF)[NH+]1CCCCC1 87775017 572712127 /nfs/dbraw/zinc/71/21/27/572712127.db2.gz WNICOLIZHPKVOU-JTQLQIEISA-N 1 1 188.290 1.420 10 0 ADAEMO CC[N@@H+](CCF)C[C@@H](C)C(N)=S 87775475 572712136 /nfs/dbraw/zinc/71/21/36/572712136.db2.gz MFLHRQHYXCGCHC-SSDOTTSWSA-N 1 1 192.303 1.200 10 0 ADAEMO C[C@H](CNCCF)[NH+]1CCCCC1 87775018 572712154 /nfs/dbraw/zinc/71/21/54/572712154.db2.gz WNICOLIZHPKVOU-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO C[C@@H](C[NH+]1CCCCC1)NCCF 87774937 572712171 /nfs/dbraw/zinc/71/21/71/572712171.db2.gz DQMQTYMSESNXRM-JTQLQIEISA-N 1 1 188.290 1.420 10 0 ADAEMO CN(CCF)[C@@H]1CCC[C@@H]1C[NH3+] 87776652 572712192 /nfs/dbraw/zinc/71/21/92/572712192.db2.gz ZIOCKOCICJLORG-RKDXNWHRSA-N 1 1 174.263 1.015 10 0 ADAEMO CCC[N@@H+](C)[C@@](CC)(CN)COC 70624557 572712258 /nfs/dbraw/zinc/71/22/58/572712258.db2.gz UAJAAGYOPNTQPF-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO CCCN(C)[C@@](CC)(C[NH3+])COC 70624557 572712270 /nfs/dbraw/zinc/71/22/70/572712270.db2.gz UAJAAGYOPNTQPF-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO CC[NH2+][C@@H](C(F)F)C(C)(C)OC 307880676 572712272 /nfs/dbraw/zinc/71/22/72/572712272.db2.gz OJBHHJHQWPEMRO-LURJTMIESA-N 1 1 181.226 1.655 10 0 ADAEMO FCCNCC[NH+]1CCCCC1 87774976 572712517 /nfs/dbraw/zinc/71/25/17/572712517.db2.gz CTAPSIPNYINWCS-UHFFFAOYSA-N 1 1 174.263 1.031 10 0 ADAEMO CN(CCF)[C@H]1CCC[C@@H]1C[NH3+] 87776653 572712577 /nfs/dbraw/zinc/71/25/77/572712577.db2.gz ZIOCKOCICJLORG-BDAKNGLRSA-N 1 1 174.263 1.015 10 0 ADAEMO CC(=O)C[C@H]1CCC[N@H+]1CCF 87775539 572712717 /nfs/dbraw/zinc/71/27/17/572712717.db2.gz RYHQTDMGWAQERG-SECBINFHSA-N 1 1 173.231 1.399 10 0 ADAEMO CCC[N@H+](CC1CCCC1)C1CNC1 85270737 572712807 /nfs/dbraw/zinc/71/28/07/572712807.db2.gz ZMRMWEXFCZHWGS-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO CCC[N@@H+](CC1CCCC1)C1CNC1 85270737 572712812 /nfs/dbraw/zinc/71/28/12/572712812.db2.gz ZMRMWEXFCZHWGS-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO CCC[N@H+](C1CNC1)[C@@H]1CC[C@H](C)C1 85270578 572712982 /nfs/dbraw/zinc/71/29/82/572712982.db2.gz FXPDNKLVMSULSX-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[N@@H+](C1CNC1)[C@@H]1CC[C@H](C)C1 85270578 572712988 /nfs/dbraw/zinc/71/29/88/572712988.db2.gz FXPDNKLVMSULSX-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[N@H+](C1CNC1)[C@H]1CCC[C@@H]1C 85270731 572713014 /nfs/dbraw/zinc/71/30/14/572713014.db2.gz PTLRVUSBTTWMFS-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[N@@H+](C1CNC1)[C@H]1CCC[C@@H]1C 85270731 572713018 /nfs/dbraw/zinc/71/30/18/572713018.db2.gz PTLRVUSBTTWMFS-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@]1(CNC2CCC2)CCC[NH2+]1 70619897 572713047 /nfs/dbraw/zinc/71/30/47/572713047.db2.gz NPWIBLUHBPIISW-SNVBAGLBSA-N 1 1 168.284 1.271 10 0 ADAEMO C[N@H+](CCF)Cc1ccccc1N 87775878 572713061 /nfs/dbraw/zinc/71/30/61/572713061.db2.gz ZOSZVCPXONFTGD-UHFFFAOYSA-N 1 1 182.242 1.670 10 0 ADAEMO C[N@@H+](CCF)Cc1ccccc1N 87775878 572713067 /nfs/dbraw/zinc/71/30/67/572713067.db2.gz ZOSZVCPXONFTGD-UHFFFAOYSA-N 1 1 182.242 1.670 10 0 ADAEMO CCC[C@@H](C)[N@H+](CCC)C1CNC1 85270732 572713193 /nfs/dbraw/zinc/71/31/93/572713193.db2.gz XEYHAHYLAKIRFU-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@@H](C)[N@@H+](CCC)C1CNC1 85270732 572713197 /nfs/dbraw/zinc/71/31/97/572713197.db2.gz XEYHAHYLAKIRFU-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO C[C@@H]1C[C@H]1NC[C@]1(C)CCC[NH2+]1 70619901 572713251 /nfs/dbraw/zinc/71/32/51/572713251.db2.gz XXTCDKBXKQPTFQ-BBBLOLIVSA-N 1 1 168.284 1.127 10 0 ADAEMO CC[C@H](C)[C@H](C)[N@H+](CC)C1CNC1 85258603 572713377 /nfs/dbraw/zinc/71/33/77/572713377.db2.gz UMQQAORPYJXXMM-UWVGGRQHSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)[C@H](C)[N@@H+](CC)C1CNC1 85258603 572713379 /nfs/dbraw/zinc/71/33/79/572713379.db2.gz UMQQAORPYJXXMM-UWVGGRQHSA-N 1 1 184.327 1.715 10 0 ADAEMO C/C=C/C=C/C[N@@H+](C)CCO 307880219 572713399 /nfs/dbraw/zinc/71/33/99/572713399.db2.gz PXISWTXSIQDTEY-VNKDHWASSA-N 1 1 155.241 1.043 10 0 ADAEMO CCC[N@H+](C[C@@H](C)CC)C1CNC1 85270551 572713517 /nfs/dbraw/zinc/71/35/17/572713517.db2.gz CDYGJBWYQFAGOY-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[N@@H+](C[C@@H](C)CC)C1CNC1 85270551 572713519 /nfs/dbraw/zinc/71/35/19/572713519.db2.gz CDYGJBWYQFAGOY-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[N@@H+](C1CNC1)[C@@H](C)C(C)C 85270610 572713526 /nfs/dbraw/zinc/71/35/26/572713526.db2.gz CVYIYLJWNSRKAS-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[N@H+](C1CNC1)[C@@H](C)C(C)C 85270610 572713529 /nfs/dbraw/zinc/71/35/29/572713529.db2.gz CVYIYLJWNSRKAS-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CC[N@@H+](C1CNC1)[C@@H](C)C1CCCC1 85258719 572713683 /nfs/dbraw/zinc/71/36/83/572713683.db2.gz BEBDDJHQQFCIBS-JTQLQIEISA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@H+](C1CNC1)[C@@H](C)C1CCCC1 85258719 572713687 /nfs/dbraw/zinc/71/36/87/572713687.db2.gz BEBDDJHQQFCIBS-JTQLQIEISA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[N@@H+](C1CNC1)[C@H](C)C1CC1 85270675 572713697 /nfs/dbraw/zinc/71/36/97/572713697.db2.gz LXJRQACHWGYJPZ-SECBINFHSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC[N@H+](C1CNC1)[C@H](C)C1CC1 85270675 572713700 /nfs/dbraw/zinc/71/37/00/572713700.db2.gz LXJRQACHWGYJPZ-SECBINFHSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H](C1CC1)[N@H+](CC)C1CNC1 85258812 572713761 /nfs/dbraw/zinc/71/37/61/572713761.db2.gz FDHQECYGUOALSH-NSHDSACASA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H](C1CC1)[N@@H+](CC)C1CNC1 85258812 572713764 /nfs/dbraw/zinc/71/37/64/572713764.db2.gz FDHQECYGUOALSH-NSHDSACASA-N 1 1 182.311 1.469 10 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184.327 1.715 10 0 ADAEMO CCC[N@H+](C(CC)CC)C1CNC1 85270642 572714329 /nfs/dbraw/zinc/71/43/29/572714329.db2.gz DVFLCOHUEDFNHO-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO C[C@@H]1C[C@@H]1NC[C@]1(C)CCC[NH2+]1 70619899 572714333 /nfs/dbraw/zinc/71/43/33/572714333.db2.gz XXTCDKBXKQPTFQ-UTLUCORTSA-N 1 1 168.284 1.127 10 0 ADAEMO CCC[N@@H+](C(CC)CC)C1CNC1 85270642 572714334 /nfs/dbraw/zinc/71/43/34/572714334.db2.gz DVFLCOHUEDFNHO-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H](C)[C@@H](C)[N@H+](CC)C1CNC1 85258601 572714393 /nfs/dbraw/zinc/71/43/93/572714393.db2.gz UMQQAORPYJXXMM-VHSXEESVSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H](O)C[N@@H+](C)CCOC(C)C 87782692 572714402 /nfs/dbraw/zinc/71/44/02/572714402.db2.gz VRTDSAUMPKWJCQ-SNVBAGLBSA-N 1 1 189.299 1.114 10 0 ADAEMO CCC[N@@H+](C1CNC1)[C@@H](CC)C1CC1 85270714 572714435 /nfs/dbraw/zinc/71/44/35/572714435.db2.gz SUOYTTRIAPKKCE-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[N@H+](C1CNC1)[C@@H](CC)C1CC1 85270714 572714439 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ADAEMO CC(C)[NH2+]C[C@]1(N)CCC[C@@H](C)C1 70905824 572753313 /nfs/dbraw/zinc/75/33/13/572753313.db2.gz YMJHIWBDKKSMRL-MNOVXSKESA-N 1 1 184.327 1.892 10 0 ADAEMO C[C@]([NH3+])(CF)Oc1cccc(C=O)c1 238503438 572753346 /nfs/dbraw/zinc/75/33/46/572753346.db2.gz APJQSTQFSZTHSW-SNVBAGLBSA-N 1 1 197.209 1.522 10 0 ADAEMO CCCC1(C[N@@H+](C)CCO)CC1 308112355 572753484 /nfs/dbraw/zinc/75/34/84/572753484.db2.gz KUEHGYJKLQOASF-UHFFFAOYSA-N 1 1 171.284 1.491 10 0 ADAEMO Cc1cc(OCC(C)(C)[NH3+])cc(C)n1 307636969 572753545 /nfs/dbraw/zinc/75/35/45/572753545.db2.gz VQEBZDJFHFRAGP-UHFFFAOYSA-N 1 1 194.278 1.815 10 0 ADAEMO C[C@H]1C[C@H]1[NH2+]C[C@@]1(N)CCC[C@@H](C)C1 70906268 572753558 /nfs/dbraw/zinc/75/35/58/572753558.db2.gz SFANRDACFACDKU-WRWGMCAJSA-N 1 1 196.338 1.892 10 0 ADAEMO CC[C@@](C)(CO)Nc1ccc(N)[nH+]c1 70895566 572753592 /nfs/dbraw/zinc/75/35/92/572753592.db2.gz NTPBKFSCJKVURB-JTQLQIEISA-N 1 1 195.266 1.237 10 0 ADAEMO CC[NH2+]C[C@]1(N)CCC[C@H](C)C1 70905953 572754019 /nfs/dbraw/zinc/75/40/19/572754019.db2.gz JKRCPMCJXYROTQ-UWVGGRQHSA-N 1 1 170.300 1.504 10 0 ADAEMO C[C@H]1C[N@@H+](C)CC[C@@]1(O)C(C)(C)C 307637069 572754068 /nfs/dbraw/zinc/75/40/68/572754068.db2.gz VTBJWWVQGDTAGP-ONGXEEELSA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)[NH2+]C[C@@]1(N)CCC[C@H](C)C1 70905821 572754405 /nfs/dbraw/zinc/75/44/05/572754405.db2.gz YMJHIWBDKKSMRL-WDEREUQCSA-N 1 1 184.327 1.892 10 0 ADAEMO [NH3+]CC=Cc1ccc2nc[nH]c2c1 308113747 572755167 /nfs/dbraw/zinc/75/51/67/572755167.db2.gz NPGBGEMZYYUHSI-UPHRSURJSA-N 1 1 173.219 1.535 10 0 ADAEMO C[C@@H](CN)[N@H+](C)[C@H]1CS[C@H](C)C1 307638599 572755206 /nfs/dbraw/zinc/75/52/06/572755206.db2.gz YIJUTLPPDDWUIN-DJLDLDEBSA-N 1 1 188.340 1.159 10 0 ADAEMO C[C@@H](CN)[N@@H+](C)[C@H]1CS[C@H](C)C1 307638599 572755208 /nfs/dbraw/zinc/75/52/08/572755208.db2.gz YIJUTLPPDDWUIN-DJLDLDEBSA-N 1 1 188.340 1.159 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+]C[C@H]1CCCS1 308114770 572755324 /nfs/dbraw/zinc/75/53/24/572755324.db2.gz LYAAAJKTXFTJQU-DJLDLDEBSA-N 1 1 188.340 1.207 10 0 ADAEMO CCC1(C[NH2+][C@@H](C)[C@H](C)N)CC1 308113134 572755543 /nfs/dbraw/zinc/75/55/43/572755543.db2.gz LCTODXVSVFBRGL-IUCAKERBSA-N 1 1 170.300 1.502 10 0 ADAEMO CCn1nc(C)cc1C[NH+](C)C 307638606 572755590 /nfs/dbraw/zinc/75/55/90/572755590.db2.gz YJBDSXSCUWHZCS-UHFFFAOYSA-N 1 1 167.256 1.273 10 0 ADAEMO C/C=C\[C@@H]1[NH2+]C(C)(C)S[C@H]1OC 307911441 572755691 /nfs/dbraw/zinc/75/56/91/572755691.db2.gz IHYYVXVBBPCXHC-HFFNOEQQSA-N 1 1 187.308 1.976 10 0 ADAEMO CCCCCC[NH2+][C@@H](C)[C@H](C)N 308114824 572755957 /nfs/dbraw/zinc/75/59/57/572755957.db2.gz LZDURYNLDKYFHP-UWVGGRQHSA-N 1 1 172.316 1.892 10 0 ADAEMO CCCCCC[NH2+][C@@H](C)[C@@H](C)N 308114827 572755934 /nfs/dbraw/zinc/75/59/34/572755934.db2.gz LZDURYNLDKYFHP-ZJUUUORDSA-N 1 1 172.316 1.892 10 0 ADAEMO CC[N@@H+](CC(N)=S)CC(C)(C)C 308112918 572756101 /nfs/dbraw/zinc/75/61/01/572756101.db2.gz LAVPBHUXCUXOOU-UHFFFAOYSA-N 1 1 188.340 1.641 10 0 ADAEMO CCC1(C[NH2+][C@H](C)[C@@H](C)N)CC1 308113140 572756119 /nfs/dbraw/zinc/75/61/19/572756119.db2.gz LCTODXVSVFBRGL-RKDXNWHRSA-N 1 1 170.300 1.502 10 0 ADAEMO CC[N@H+]1CC[C@@H](CCOC)C1 307638888 572756243 /nfs/dbraw/zinc/75/62/43/572756243.db2.gz YWLOLVBGGOVGIR-VIFPVBQESA-N 1 1 157.257 1.365 10 0 ADAEMO C[C@@H]1C[C@H]([N@@H+](C)[C@H](C)CN)CS1 307638600 572756324 /nfs/dbraw/zinc/75/63/24/572756324.db2.gz YIJUTLPPDDWUIN-HLTSFMKQSA-N 1 1 188.340 1.159 10 0 ADAEMO C[C@@H]1C[C@H]([N@H+](C)[C@H](C)CN)CS1 307638600 572756327 /nfs/dbraw/zinc/75/63/27/572756327.db2.gz YIJUTLPPDDWUIN-HLTSFMKQSA-N 1 1 188.340 1.159 10 0 ADAEMO CCCCCC[NH2+][C@H](C)[C@@H](C)N 308114822 572756344 /nfs/dbraw/zinc/75/63/44/572756344.db2.gz LZDURYNLDKYFHP-NXEZZACHSA-N 1 1 172.316 1.892 10 0 ADAEMO C[C@@H]1CCC[C@@H]1Nc1nnc(C[NH3+])o1 235251932 572756525 /nfs/dbraw/zinc/75/65/25/572756525.db2.gz XULXDCGQJCBHEU-RQJHMYQMSA-N 1 1 196.254 1.129 10 0 ADAEMO C/C(=C\Cl)C[NH2+]Cc1ccncn1 308112782 572756534 /nfs/dbraw/zinc/75/65/34/572756534.db2.gz QDXLBDHRTALTAV-XBXARRHUSA-N 1 1 197.669 1.709 10 0 ADAEMO C[C@@H]1C[C@@H]([N@H+](C)[C@H](C)CN)CS1 307638601 572757532 /nfs/dbraw/zinc/75/75/32/572757532.db2.gz YIJUTLPPDDWUIN-IWSPIJDZSA-N 1 1 188.340 1.159 10 0 ADAEMO C[C@@H](CN)[N@H+](C)[C@@H]1CS[C@H](C)C1 307638602 572756694 /nfs/dbraw/zinc/75/66/94/572756694.db2.gz YIJUTLPPDDWUIN-YIZRAAEISA-N 1 1 188.340 1.159 10 0 ADAEMO C[C@@H](CN)[N@@H+](C)[C@@H]1CS[C@H](C)C1 307638602 572756698 /nfs/dbraw/zinc/75/66/98/572756698.db2.gz YIJUTLPPDDWUIN-YIZRAAEISA-N 1 1 188.340 1.159 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+]C[C@@H]1CCCS1 308114774 572756862 /nfs/dbraw/zinc/75/68/62/572756862.db2.gz LYAAAJKTXFTJQU-YIZRAAEISA-N 1 1 188.340 1.207 10 0 ADAEMO CCCCCC[NH2+][C@H](C)[C@H](C)N 308114825 572756966 /nfs/dbraw/zinc/75/69/66/572756966.db2.gz LZDURYNLDKYFHP-VHSXEESVSA-N 1 1 172.316 1.892 10 0 ADAEMO CC[N@H+]1CC[C@H](CCOC)C1 307638887 572757062 /nfs/dbraw/zinc/75/70/62/572757062.db2.gz YWLOLVBGGOVGIR-SECBINFHSA-N 1 1 157.257 1.365 10 0 ADAEMO CCC1(C[NH2+][C@H](C)[C@H](C)N)CC1 308113128 572757075 /nfs/dbraw/zinc/75/70/75/572757075.db2.gz LCTODXVSVFBRGL-DTWKUNHWSA-N 1 1 170.300 1.502 10 0 ADAEMO C/C=C\[C@@H]1[NH2+]C(C)(C)S[C@@H]1OC 307911442 572757105 /nfs/dbraw/zinc/75/71/05/572757105.db2.gz IHYYVXVBBPCXHC-WXSHZEGDSA-N 1 1 187.308 1.976 10 0 ADAEMO C=C/C=C/CC[C@H](O)[C@H]1CC[N@H+](C)C1 713745973 572757307 /nfs/dbraw/zinc/75/73/07/572757307.db2.gz BYJCZRXFQRAVQV-XMXMHJJKSA-N 1 1 195.306 1.821 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C[C@@H]1CCCS1 308114768 572757434 /nfs/dbraw/zinc/75/74/34/572757434.db2.gz LYAAAJKTXFTJQU-CIUDSAMLSA-N 1 1 188.340 1.207 10 0 ADAEMO C[C@@H]1C[C@@H]([N@@H+](C)[C@H](C)CN)CS1 307638601 572757528 /nfs/dbraw/zinc/75/75/28/572757528.db2.gz YIJUTLPPDDWUIN-IWSPIJDZSA-N 1 1 188.340 1.159 10 0 ADAEMO CCCC(=O)C[N@H+]1CC[C@@H](C)[C@H](O)C1 299907110 572759351 /nfs/dbraw/zinc/75/93/51/572759351.db2.gz HZVSKRROZPJZEW-MWLCHTKSSA-N 1 1 199.294 1.058 10 0 ADAEMO C=C/C=C/CC[C@H](O)[C@@H]1CC[N@H+](C)C1 713745970 572758071 /nfs/dbraw/zinc/75/80/71/572758071.db2.gz BYJCZRXFQRAVQV-RVAOTSRCSA-N 1 1 195.306 1.821 10 0 ADAEMO NC1(C[NH2+]CC2(C3CC3)CC2)CC1 236209263 572758224 /nfs/dbraw/zinc/75/82/24/572758224.db2.gz QSBWGNWFJMRFST-UHFFFAOYSA-N 1 1 180.295 1.258 10 0 ADAEMO CC(C)(C)[NH2+]Cc1csc(CN)n1 85545860 572758246 /nfs/dbraw/zinc/75/82/46/572758246.db2.gz KDWGHUBPMXXNRI-UHFFFAOYSA-N 1 1 199.323 1.490 10 0 ADAEMO NC1(C[NH2+]CC2(C3CC3)CC2)CCC1 236209367 572758309 /nfs/dbraw/zinc/75/83/09/572758309.db2.gz KBBFRORKWSTQRV-UHFFFAOYSA-N 1 1 194.322 1.648 10 0 ADAEMO CC(C)[NH2+]Cc1csc(CN)n1 85545866 572758317 /nfs/dbraw/zinc/75/83/17/572758317.db2.gz SYXOCYMFXSUFED-UHFFFAOYSA-N 1 1 185.296 1.100 10 0 ADAEMO CCCC[N@H+]1CC[C@H](C)[C@H]1CN 299907199 572758484 /nfs/dbraw/zinc/75/84/84/572758484.db2.gz GYPPEVRPRVEYBO-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CC(C)C[NH2+]Cc1csc(CN)n1 85545887 572758694 /nfs/dbraw/zinc/75/86/94/572758694.db2.gz XZRCPPHFONMGCY-UHFFFAOYSA-N 1 1 199.323 1.347 10 0 ADAEMO CC/C(C)=C\CC[N@@H+](C)CCO 307921624 572758825 /nfs/dbraw/zinc/75/88/25/572758825.db2.gz DQPKATJZIZBNQZ-POHAHGRESA-N 1 1 171.284 1.657 10 0 ADAEMO C/C=C/CCCOC(=O)[C@H](C)[NH3+] 307911809 572758915 /nfs/dbraw/zinc/75/89/15/572758915.db2.gz JIFGNHOPXKNXEX-RTMURIBGSA-N 1 1 171.240 1.233 10 0 ADAEMO CCC[NH2+]C[C@H](N)CC1CC1 307921475 572759178 /nfs/dbraw/zinc/75/91/78/572759178.db2.gz LQXYGCPXTBZIIR-SECBINFHSA-N 1 1 156.273 1.113 10 0 ADAEMO CC[C@H](C)[NH2+]Cc1csc(CN)n1 85545879 572759667 /nfs/dbraw/zinc/75/96/67/572759667.db2.gz CBDLAZZAENNVHL-ZETCQYMHSA-N 1 1 199.323 1.490 10 0 ADAEMO CCCC(=O)C[N@H+]1CC[C@H](C)[C@H](O)C1 299907109 572759706 /nfs/dbraw/zinc/75/97/06/572759706.db2.gz HZVSKRROZPJZEW-GXSJLCMTSA-N 1 1 199.294 1.058 10 0 ADAEMO [NH3+][C@@H]1C(=O)Nc2c1ccc1cnccc21 257359552 572759735 /nfs/dbraw/zinc/75/97/35/572759735.db2.gz WEWJLSVSMAFKGT-VIFPVBQESA-N 1 1 199.213 1.187 10 0 ADAEMO C/C=C/CCCOC(=O)[C@@H](C)[NH3+] 307911808 572759823 /nfs/dbraw/zinc/75/98/23/572759823.db2.gz JIFGNHOPXKNXEX-MPJRPATESA-N 1 1 171.240 1.233 10 0 ADAEMO Cc1nccc(C[NH2+]C/C=C\Cl)n1 308111329 572759855 /nfs/dbraw/zinc/75/98/55/572759855.db2.gz YAQCRSDZUUVAKT-RQOWECAXSA-N 1 1 197.669 1.627 10 0 ADAEMO CC(C)[NH2+]Cc1ccc2[nH]nnc2c1 70953933 572760128 /nfs/dbraw/zinc/76/01/28/572760128.db2.gz ISZRWYXFLAGYAH-UHFFFAOYSA-N 1 1 190.250 1.456 10 0 ADAEMO CC(C)[NH2+]Cc1ccc2nn[nH]c2c1 70953933 572760131 /nfs/dbraw/zinc/76/01/31/572760131.db2.gz ISZRWYXFLAGYAH-UHFFFAOYSA-N 1 1 190.250 1.456 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1c1ccc(N)c(N)c1 235259067 572760219 /nfs/dbraw/zinc/76/02/19/572760219.db2.gz DIWJPNSMNHGSBI-MRVPVSSYSA-N 1 1 191.278 1.840 10 0 ADAEMO C[C@@H]1CCC[N@H+]1c1ccc(N)c(N)c1 235259067 572760220 /nfs/dbraw/zinc/76/02/20/572760220.db2.gz DIWJPNSMNHGSBI-MRVPVSSYSA-N 1 1 191.278 1.840 10 0 ADAEMO NCc1nc(C[NH2+]CC2CC2)cs1 85545904 572760466 /nfs/dbraw/zinc/76/04/66/572760466.db2.gz WHAKIZNPRHLMFM-UHFFFAOYSA-N 1 1 197.307 1.101 10 0 ADAEMO CC[C@@H](C)[NH2+]Cc1csc(CN)n1 85545875 572760683 /nfs/dbraw/zinc/76/06/83/572760683.db2.gz CBDLAZZAENNVHL-SSDOTTSWSA-N 1 1 199.323 1.490 10 0 ADAEMO CCC[NH2+]C[C@@H](N)CC1CC1 307921476 572761030 /nfs/dbraw/zinc/76/10/30/572761030.db2.gz LQXYGCPXTBZIIR-VIFPVBQESA-N 1 1 156.273 1.113 10 0 ADAEMO C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H](CO)C1 49474363 572761367 /nfs/dbraw/zinc/76/13/67/572761367.db2.gz RSAFUUIFXUGXTJ-WOPDTQHZSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](CO)C1 49474365 572761596 /nfs/dbraw/zinc/76/15/96/572761596.db2.gz RSAFUUIFXUGXTJ-GRYCIOLGSA-N 1 1 197.322 1.879 10 0 ADAEMO C/C=C\C[N@H+](C)C[C@@H](C)OC 307914075 572761668 /nfs/dbraw/zinc/76/16/68/572761668.db2.gz APMFCUMHNYYKKG-SSJHQANKSA-N 1 1 157.257 1.529 10 0 ADAEMO C/C=C\C[N@@H+](C)CCCCO 307912893 572761807 /nfs/dbraw/zinc/76/18/07/572761807.db2.gz YRJMQWCEMZJDAD-ARJAWSKDSA-N 1 1 157.257 1.267 10 0 ADAEMO CCCC[C@H](C)[N@@H+](C)[C@@H](C)CN 308111652 572761815 /nfs/dbraw/zinc/76/18/15/572761815.db2.gz KLQFVJKGYLTEEL-UWVGGRQHSA-N 1 1 172.316 1.844 10 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/nfs/dbraw/zinc/76/29/12/572762912.db2.gz APMFCUMHNYYKKG-UDIARPCQSA-N 1 1 157.257 1.529 10 0 ADAEMO C/C=C/C[N@H+](C)C[C@H](C)OC 307914074 572763703 /nfs/dbraw/zinc/76/37/03/572763703.db2.gz APMFCUMHNYYKKG-CYNONHLPSA-N 1 1 157.257 1.529 10 0 ADAEMO CC(C)SCC[NH2+][C@@H](C)[C@@H](C)N 308121046 572763144 /nfs/dbraw/zinc/76/31/44/572763144.db2.gz PTGCJYCEVPEWFU-BDAKNGLRSA-N 1 1 190.356 1.453 10 0 ADAEMO CC(C)SCCN[C@@H](C)[C@@H](C)[NH3+] 308121046 572763150 /nfs/dbraw/zinc/76/31/50/572763150.db2.gz PTGCJYCEVPEWFU-BDAKNGLRSA-N 1 1 190.356 1.453 10 0 ADAEMO C[N@H+](CCN)C[C@H]1Cc2ccccc21 85573654 572763203 /nfs/dbraw/zinc/76/32/03/572763203.db2.gz MLSMTUXJGCKJLP-LLVKDONJSA-N 1 1 190.290 1.217 10 0 ADAEMO C[N@@H+](CCN)C[C@H]1Cc2ccccc21 85573654 572763210 /nfs/dbraw/zinc/76/32/10/572763210.db2.gz MLSMTUXJGCKJLP-LLVKDONJSA-N 1 1 190.290 1.217 10 0 ADAEMO CC(C)NCc1csc(CC[NH3+])n1 85550023 572763335 /nfs/dbraw/zinc/76/33/35/572763335.db2.gz NQOPRZICAOJOAV-UHFFFAOYSA-N 1 1 199.323 1.142 10 0 ADAEMO 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CCCc1[nH]ncc1C[NH2+]C1CC1 85654884 572783844 /nfs/dbraw/zinc/78/38/44/572783844.db2.gz LBJAQMCWHCYXAC-UHFFFAOYSA-N 1 1 179.267 1.614 10 0 ADAEMO CN1CCC[C@H](N2CCCCC2=[NH2+])C1 49584273 572784028 /nfs/dbraw/zinc/78/40/28/572784028.db2.gz WBXMBMJVFKIMAH-JTQLQIEISA-N 1 1 195.310 1.544 10 0 ADAEMO CCCc1[nH]ncc1C[NH2+]CC 85654886 572784061 /nfs/dbraw/zinc/78/40/61/572784061.db2.gz ZHXNFRSZUNSAJM-UHFFFAOYSA-N 1 1 167.256 1.472 10 0 ADAEMO CC1(NCC(F)(F)C[NH3+])CCC1 308120575 572784372 /nfs/dbraw/zinc/78/43/72/572784372.db2.gz PHKSWFKCJNXDMB-UHFFFAOYSA-N 1 1 178.226 1.113 10 0 ADAEMO CCc1[nH]ncc1C[NH2+]C(C)(C)C 85654903 572784438 /nfs/dbraw/zinc/78/44/38/572784438.db2.gz RSKUXNAPFLWCFP-UHFFFAOYSA-N 1 1 181.283 1.860 10 0 ADAEMO COC(=O)C[C@@H]1CCCC[N@H+]1C 49572789 572784528 /nfs/dbraw/zinc/78/45/28/572784528.db2.gz YZYKVHMMYPOLII-QMMMGPOBSA-N 1 1 171.240 1.034 10 0 ADAEMO CC(C)[N@H+](C/C=C\Cl)C[C@@H](C)O 307932155 572785148 /nfs/dbraw/zinc/78/51/48/572785148.db2.gz ADEHNPGWOLKLKF-XRVBUDJMSA-N 1 1 191.702 1.830 10 0 ADAEMO CCC(=O)C[N@H+]1CCCC[C@H]1COC 307762432 572784773 /nfs/dbraw/zinc/78/47/73/572784773.db2.gz DSPQTMOJVNRNMW-JTQLQIEISA-N 1 1 199.294 1.466 10 0 ADAEMO CC(C)(C)CCCOC(=O)C[NH3+] 308129219 572785088 /nfs/dbraw/zinc/78/50/88/572785088.db2.gz WRJBFDHKSILBNZ-UHFFFAOYSA-N 1 1 173.256 1.315 10 0 ADAEMO COC[C@@H]1CCCC[N@H+]1CCC(C)=O 307762578 572785154 /nfs/dbraw/zinc/78/51/54/572785154.db2.gz FIZQCAHPYHCEDK-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO CCC[N@@H+](C)[C@]1(CN)CC[C@H]2C[C@H]21 308129704 572785161 /nfs/dbraw/zinc/78/51/61/572785161.db2.gz AAOIZUIXCABKKT-AXFHLTTASA-N 1 1 182.311 1.456 10 0 ADAEMO CCc1[nH]ncc1C[NH2+]CC(C)C 85654900 572785283 /nfs/dbraw/zinc/78/52/83/572785283.db2.gz GWFZQLGELKLFSF-UHFFFAOYSA-N 1 1 181.283 1.718 10 0 ADAEMO C[N@@H+](CCC1OCCCO1)CC1CC1 85705381 572785277 /nfs/dbraw/zinc/78/52/77/572785277.db2.gz ZALWYPKRJSQCQY-UHFFFAOYSA-N 1 1 199.294 1.481 10 0 ADAEMO CCC(C)(CC)[NH2+]CC(C)(C)N 307937034 572795539 /nfs/dbraw/zinc/79/55/39/572795539.db2.gz AABWTBLIXNDVPC-UHFFFAOYSA-N 1 1 172.316 1.892 10 0 ADAEMO COC[C@H]1CCCC[N@H+]1CCC(C)=O 307762577 572785727 /nfs/dbraw/zinc/78/57/27/572785727.db2.gz FIZQCAHPYHCEDK-LLVKDONJSA-N 1 1 199.294 1.466 10 0 ADAEMO CCC(=O)C[N@H+]1CCCC[C@@H]1COC 307762433 572786317 /nfs/dbraw/zinc/78/63/17/572786317.db2.gz DSPQTMOJVNRNMW-SNVBAGLBSA-N 1 1 199.294 1.466 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2)N1 714550226 572787957 /nfs/dbraw/zinc/78/79/57/572787957.db2.gz SFFYGJSJGITYPS-MIMYLULJSA-N 1 1 191.278 1.222 10 0 ADAEMO C[C@@H]1CCN(CCCCF)CC[NH2+]1 308131211 572787066 /nfs/dbraw/zinc/78/70/66/572787066.db2.gz JAMRRFMNSAFJPM-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C[C@H]1CCSC1 308131530 572787966 /nfs/dbraw/zinc/78/79/66/572787966.db2.gz XUIZQOJEHJRYAR-XHNCKOQMSA-N 1 1 188.340 1.065 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+]C[C@H]1CCSC1 308131528 572787978 /nfs/dbraw/zinc/78/79/78/572787978.db2.gz XUIZQOJEHJRYAR-DJLDLDEBSA-N 1 1 188.340 1.065 10 0 ADAEMO CC(C)CC[N@@H+](C)[C@@H]1C[C@H]1CO 308131010 572787419 /nfs/dbraw/zinc/78/74/19/572787419.db2.gz XIMOEHNFGCVWIB-VHSXEESVSA-N 1 1 171.284 1.345 10 0 ADAEMO CC(C)[N@H+](C/C=C/Cl)C[C@@H](C)O 307932153 572787517 /nfs/dbraw/zinc/78/75/17/572787517.db2.gz ADEHNPGWOLKLKF-XNPJLODASA-N 1 1 191.702 1.830 10 0 ADAEMO CC(C)[N@H+](C/C=C/Cl)C[C@H](C)O 307932150 572787546 /nfs/dbraw/zinc/78/75/46/572787546.db2.gz ADEHNPGWOLKLKF-MOVJSRMASA-N 1 1 191.702 1.830 10 0 ADAEMO CCC[C@@H]([NH3+])[C@@](C)(CC)N(C)C 85745184 572787989 /nfs/dbraw/zinc/78/79/89/572787989.db2.gz LPSQQYFQQIVXIB-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CC(C)[N@H+](C/C=C\Cl)C[C@H](C)O 307932152 572787663 /nfs/dbraw/zinc/78/76/63/572787663.db2.gz ADEHNPGWOLKLKF-WBSSQXGSSA-N 1 1 191.702 1.830 10 0 ADAEMO CC(C)CC[N@@H+](C)[C@H]1C[C@H]1CO 308131009 572787760 /nfs/dbraw/zinc/78/77/60/572787760.db2.gz XIMOEHNFGCVWIB-UWVGGRQHSA-N 1 1 171.284 1.345 10 0 ADAEMO CC[C@@H]([NH3+])C(C)(C)N(CC)CC 85738899 572787768 /nfs/dbraw/zinc/78/77/68/572787768.db2.gz ACYGRZXHZYPBMG-SECBINFHSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[C@H]([NH3+])[C@](C)(CC)N(C)C 85745189 572787792 /nfs/dbraw/zinc/78/77/92/572787792.db2.gz LPSQQYFQQIVXIB-UWVGGRQHSA-N 1 1 172.316 1.844 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C[C@@H]1CCSC1 308131525 572787794 /nfs/dbraw/zinc/78/77/94/572787794.db2.gz XUIZQOJEHJRYAR-CIUDSAMLSA-N 1 1 188.340 1.065 10 0 ADAEMO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2)N1 714550224 572787941 /nfs/dbraw/zinc/78/79/41/572787941.db2.gz SFFYGJSJGITYPS-FBIMIBRVSA-N 1 1 191.278 1.222 10 0 ADAEMO CC(C)[NH2+]CC[C@H]1CCCCN1C 49633211 572788057 /nfs/dbraw/zinc/78/80/57/572788057.db2.gz UHPVHVPXFCGTMD-LLVKDONJSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H]([NH3+])C(C)(C)N(CC)CC 85738896 572788096 /nfs/dbraw/zinc/78/80/96/572788096.db2.gz ACYGRZXHZYPBMG-VIFPVBQESA-N 1 1 172.316 1.844 10 0 ADAEMO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2)N1 714550225 572788104 /nfs/dbraw/zinc/78/81/04/572788104.db2.gz SFFYGJSJGITYPS-IEBDPFPHSA-N 1 1 191.278 1.222 10 0 ADAEMO CC(C)CC[N@@H+](C)[C@H]1C[C@@H]1CO 308131011 572788133 /nfs/dbraw/zinc/78/81/33/572788133.db2.gz XIMOEHNFGCVWIB-ZJUUUORDSA-N 1 1 171.284 1.345 10 0 ADAEMO C[C@@H]1CC[N@@H+](CCCCF)[C@@H]1CN 308131449 572788287 /nfs/dbraw/zinc/78/82/87/572788287.db2.gz DZUNSGQMADKEBS-NXEZZACHSA-N 1 1 188.290 1.405 10 0 ADAEMO NC[C@H]1CCC[N@H+]1CCCCF 238554108 572788360 /nfs/dbraw/zinc/78/83/60/572788360.db2.gz NVWFSNPGPCUSED-SECBINFHSA-N 1 1 174.263 1.159 10 0 ADAEMO [NH3+]C[C@H]1CCCN1CCCCF 238554108 572788375 /nfs/dbraw/zinc/78/83/75/572788375.db2.gz NVWFSNPGPCUSED-SECBINFHSA-N 1 1 174.263 1.159 10 0 ADAEMO CC[C@](C)([C@@H]([NH3+])C(C)C)N(C)C 85745596 572788378 /nfs/dbraw/zinc/78/83/78/572788378.db2.gz SYSMQMVZDAJJRS-VHSXEESVSA-N 1 1 172.316 1.700 10 0 ADAEMO CCC[C@H]([NH3+])[C@@](C)(CC)N(C)C 85745181 572788548 /nfs/dbraw/zinc/78/85/48/572788548.db2.gz LPSQQYFQQIVXIB-VHSXEESVSA-N 1 1 172.316 1.844 10 0 ADAEMO C[C@H]1CCN(CCCCF)CC[NH2+]1 308131210 572788560 /nfs/dbraw/zinc/78/85/60/572788560.db2.gz JAMRRFMNSAFJPM-JTQLQIEISA-N 1 1 188.290 1.420 10 0 ADAEMO CCC[C@@H]([NH3+])[C@](C)(CC)N(C)C 85745191 572788708 /nfs/dbraw/zinc/78/87/08/572788708.db2.gz LPSQQYFQQIVXIB-ZJUUUORDSA-N 1 1 172.316 1.844 10 0 ADAEMO CC(C)CC[N@@H+](C)[C@@H]1C[C@@H]1CO 308131008 572788724 /nfs/dbraw/zinc/78/87/24/572788724.db2.gz XIMOEHNFGCVWIB-NXEZZACHSA-N 1 1 171.284 1.345 10 0 ADAEMO C[C@H]1CC[N@@H+](CCCCF)[C@@H]1CN 308131453 572789062 /nfs/dbraw/zinc/78/90/62/572789062.db2.gz DZUNSGQMADKEBS-VHSXEESVSA-N 1 1 188.290 1.405 10 0 ADAEMO CCSCC[NH2+]CC(C)(C)NC 308131523 572789148 /nfs/dbraw/zinc/78/91/48/572789148.db2.gz XUIRQHVTNHSUNW-UHFFFAOYSA-N 1 1 190.356 1.327 10 0 ADAEMO C/C=C\C[N@H+]1CC[C@@H](C)C1 393532766 572789151 /nfs/dbraw/zinc/78/91/51/572789151.db2.gz CQFIXBJGBDOIAA-ZBJFTSOASA-N 1 1 139.242 1.904 10 0 ADAEMO CCOCC(C)(C)C[NH2+]CC(F)F 308130831 572789167 /nfs/dbraw/zinc/78/91/67/572789167.db2.gz DQZSYOBRSQIDJR-UHFFFAOYSA-N 1 1 195.253 1.904 10 0 ADAEMO CC[C@](C)([C@@H]([NH3+])C1CC1)N(C)C 85745742 572789233 /nfs/dbraw/zinc/78/92/33/572789233.db2.gz RIZWRYASOKHIPM-VHSXEESVSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@@](C)([C@H]([NH3+])C(C)C)N(C)C 85745588 572789411 /nfs/dbraw/zinc/78/94/11/572789411.db2.gz SYSMQMVZDAJJRS-ZJUUUORDSA-N 1 1 172.316 1.700 10 0 ADAEMO CCCC/C=C(\C)[NH2+]CCN 307767548 572789415 /nfs/dbraw/zinc/78/94/15/572789415.db2.gz BRALRHFYAASEEO-RMKNXTFCSA-N 1 1 156.273 1.629 10 0 ADAEMO CC(C)([C@H](N)CC1CC1)[NH+]1CCCC1 85740429 572789469 /nfs/dbraw/zinc/78/94/69/572789469.db2.gz LQUSPZCFWVJRKT-LLVKDONJSA-N 1 1 196.338 1.988 10 0 ADAEMO OC[C@H]1CC[N@@H+](CC2(C3CC3)CC2)C1 236498018 572789543 /nfs/dbraw/zinc/78/95/43/572789543.db2.gz NMLOIEKHJHLVNR-JTQLQIEISA-N 1 1 195.306 1.491 10 0 ADAEMO CC[NH2+][C@H](C)C(C)(C)N1CCCC1 85740833 572789680 /nfs/dbraw/zinc/78/96/80/572789680.db2.gz CWEDYIPNZSHXQL-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCN(CC)C(C)(C)[C@@H]([NH3+])C1CC1 85739188 572789837 /nfs/dbraw/zinc/78/98/37/572789837.db2.gz YYYNDSINJHQVHW-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO CCN(CC)C(C)(C)[C@H]([NH3+])C1CC1 85739184 572789861 /nfs/dbraw/zinc/78/98/61/572789861.db2.gz YYYNDSINJHQVHW-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@](C)([C@H]([NH3+])CC1CC1)N(C)C 85745568 572789907 /nfs/dbraw/zinc/78/99/07/572789907.db2.gz ZRGQHMIASUJLEX-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@](C)([C@H]([NH3+])C(C)C)N(C)C 85745592 572789925 /nfs/dbraw/zinc/78/99/25/572789925.db2.gz SYSMQMVZDAJJRS-NXEZZACHSA-N 1 1 172.316 1.700 10 0 ADAEMO CC[C@@](C)([C@@H]([NH3+])CC1CC1)N(C)C 85745573 572790332 /nfs/dbraw/zinc/79/03/32/572790332.db2.gz ZRGQHMIASUJLEX-QWRGUYRKSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[NH2+][C@@H](C)C(C)(C)N1CCCC1 85740831 572790447 /nfs/dbraw/zinc/79/04/47/572790447.db2.gz CWEDYIPNZSHXQL-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC(C)([C@@H](N)CC1CC1)[NH+]1CCCC1 85740436 572790542 /nfs/dbraw/zinc/79/05/42/572790542.db2.gz LQUSPZCFWVJRKT-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@](C)([C@@H]([NH3+])CC1CC1)N(C)C 85745576 572791416 /nfs/dbraw/zinc/79/14/16/572791416.db2.gz ZRGQHMIASUJLEX-WDEREUQCSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@H]([NH2+]C)C(C)(C)N1CCCC1 85740573 572790745 /nfs/dbraw/zinc/79/07/45/572790745.db2.gz MHTVPBDGZGJSPU-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@](C)([C@@H]([NH3+])C(C)C)N(C)C 85745595 572790792 /nfs/dbraw/zinc/79/07/92/572790792.db2.gz SYSMQMVZDAJJRS-UWVGGRQHSA-N 1 1 172.316 1.700 10 0 ADAEMO CCN(CC)c1[nH+]c(C)ccc1CO 688711507 572790897 /nfs/dbraw/zinc/79/08/97/572790897.db2.gz RBNPCOGFLPTUEQ-UHFFFAOYSA-N 1 1 194.278 1.729 10 0 ADAEMO CC[C@](C)([C@H]([NH3+])CC1CC1)N(C)C 85745571 572790904 /nfs/dbraw/zinc/79/09/04/572790904.db2.gz ZRGQHMIASUJLEX-GHMZBOCLSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1C[NH2+]CC[N@@H+](CCCCF)C1 308131697 572790978 /nfs/dbraw/zinc/79/09/78/572790978.db2.gz JVRROACBVXQLAK-SNVBAGLBSA-N 1 1 188.290 1.277 10 0 ADAEMO C[C@@H]1C[NH2+]CCN(CCCCF)C1 308131697 572790982 /nfs/dbraw/zinc/79/09/82/572790982.db2.gz JVRROACBVXQLAK-SNVBAGLBSA-N 1 1 188.290 1.277 10 0 ADAEMO CC[C@@](C)([C@@H]([NH3+])C1CC1)N(C)C 85745740 572791195 /nfs/dbraw/zinc/79/11/95/572791195.db2.gz RIZWRYASOKHIPM-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[NH2+][C@@H](C1CC1)C(C)(C)N1CCCC1 85740728 572791514 /nfs/dbraw/zinc/79/15/14/572791514.db2.gz NYMKAUUANLNEKF-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CCO[P@@H](=O)CC[NH2+]C(C)C 307769026 572791637 /nfs/dbraw/zinc/79/16/37/572791637.db2.gz FGWUFYNWSQUDLC-UHFFFAOYSA-N 1 1 179.200 1.496 10 0 ADAEMO C[C@H]1C[NH2+]CC[N@@H+](CCCCF)C1 308131696 572791753 /nfs/dbraw/zinc/79/17/53/572791753.db2.gz JVRROACBVXQLAK-JTQLQIEISA-N 1 1 188.290 1.277 10 0 ADAEMO C[C@H]1C[NH2+]CCN(CCCCF)C1 308131696 572791755 /nfs/dbraw/zinc/79/17/55/572791755.db2.gz JVRROACBVXQLAK-JTQLQIEISA-N 1 1 188.290 1.277 10 0 ADAEMO CC[C@H]1CC[N@@H+](CC2CCC2)CCN1 49661881 572791967 /nfs/dbraw/zinc/79/19/67/572791967.db2.gz XWWGARFSWZODDZ-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1CCN(CC2CCC2)CC[NH2+]1 49661881 572791972 /nfs/dbraw/zinc/79/19/72/572791972.db2.gz XWWGARFSWZODDZ-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CCC2)CCN1 49661887 572792004 /nfs/dbraw/zinc/79/20/04/572792004.db2.gz WNQRIJHOCXLHHT-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@H]1CCN(CC2CCC2)CC[NH2+]1 49661887 572792010 /nfs/dbraw/zinc/79/20/10/572792010.db2.gz WNQRIJHOCXLHHT-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CCCN1CC[NH2+][C@@H](CC)CC1 49661550 572792457 /nfs/dbraw/zinc/79/24/57/572792457.db2.gz OIIWSPMYCMCNIL-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO C[C@@H]1CC[N@H+](C(C)(C)C)CCN1 49660777 572792077 /nfs/dbraw/zinc/79/20/77/572792077.db2.gz PGKZXMWADOJTHF-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO C[C@@H]1CCN(C(C)(C)C)CC[NH2+]1 49660777 572792080 /nfs/dbraw/zinc/79/20/80/572792080.db2.gz PGKZXMWADOJTHF-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO CCSCC[NH2+][C@@H](C)C(F)F 307935971 572792087 /nfs/dbraw/zinc/79/20/87/572792087.db2.gz YETUQUNYEOVJDO-LURJTMIESA-N 1 1 183.267 1.983 10 0 ADAEMO C[C@H]1CCN(CC2CCCC2)CC[NH2+]1 49661947 572793002 /nfs/dbraw/zinc/79/30/02/572793002.db2.gz OGGKPRLTRSWZNN-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@H]1CNCC[N@@H+](CC(C)(C)C)C1 49662331 572792131 /nfs/dbraw/zinc/79/21/31/572792131.db2.gz QXQSSHWWYWUQOH-JTQLQIEISA-N 1 1 184.327 1.574 10 0 ADAEMO C[C@H]1C[NH2+]CCN(CC(C)(C)C)C1 49662331 572792135 /nfs/dbraw/zinc/79/21/35/572792135.db2.gz QXQSSHWWYWUQOH-JTQLQIEISA-N 1 1 184.327 1.574 10 0 ADAEMO CC[C@H](C)[N@H+]1CCNC[C@H](C)C1 49661370 572792222 /nfs/dbraw/zinc/79/22/22/572792222.db2.gz ZCGGWUZRTUJFGC-UWVGGRQHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@H](C)N1CC[NH2+]C[C@H](C)C1 49661370 572792226 /nfs/dbraw/zinc/79/22/26/572792226.db2.gz ZCGGWUZRTUJFGC-UWVGGRQHSA-N 1 1 170.300 1.326 10 0 ADAEMO CCC(CC)[N@H+]1CCNC[C@@H](C)C1 49661546 572792261 /nfs/dbraw/zinc/79/22/61/572792261.db2.gz UEKUWJYWPPBZGK-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@H]1CCN(CC)CC[NH2+]1 49661500 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/nfs/dbraw/zinc/79/29/53/572792953.db2.gz AAXBCVIOWBQBQK-QMAVJUDZSA-N 1 1 194.322 1.660 10 0 ADAEMO CCC(C)(C)[N@H+]1CCNC[C@@H](C)C1 49661566 572792985 /nfs/dbraw/zinc/79/29/85/572792985.db2.gz NRDXSRWLJHXVHH-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CCCC2)CCN1 49661947 572792997 /nfs/dbraw/zinc/79/29/97/572792997.db2.gz OGGKPRLTRSWZNN-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)C[N@H+]1CCNC[C@@H](C)C1 49661522 572793089 /nfs/dbraw/zinc/79/30/89/572793089.db2.gz SOMGZTWOISRWON-SNVBAGLBSA-N 1 1 170.300 1.184 10 0 ADAEMO CC(C)CN1CC[NH2+]C[C@@H](C)C1 49661522 572793092 /nfs/dbraw/zinc/79/30/92/572793092.db2.gz SOMGZTWOISRWON-SNVBAGLBSA-N 1 1 170.300 1.184 10 0 ADAEMO CC[C@@H]1CC[N@H+](C(C)(C)C)CCN1 49660770 572793104 /nfs/dbraw/zinc/79/31/04/572793104.db2.gz UBMMNAHDNZBALL-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@H]1CCN(C(C)(C)C)CC[NH2+]1 49660770 572793109 /nfs/dbraw/zinc/79/31/09/572793109.db2.gz UBMMNAHDNZBALL-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO C[C@H]1CC[N@@H+]([C@@H](C)C2CC2)CCN1 49661998 572793254 /nfs/dbraw/zinc/79/32/54/572793254.db2.gz JDFYHHUWUXLINY-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CCN([C@@H](C)C2CC2)CC[NH2+]1 49661998 572793258 /nfs/dbraw/zinc/79/32/58/572793258.db2.gz JDFYHHUWUXLINY-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CNCC[N@@H+](CC2CCCC2)C1 49661944 572793282 /nfs/dbraw/zinc/79/32/82/572793282.db2.gz VHIOKBNPTVMKKD-NSHDSACASA-N 1 1 196.338 1.718 10 0 ADAEMO CCCC[N@H+]1CCN[C@@H](C)CC1 49660895 572793375 /nfs/dbraw/zinc/79/33/75/572793375.db2.gz GDMNYQJTKVPCHH-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CCCCN1CC[NH2+][C@@H](C)CC1 49660895 572793377 /nfs/dbraw/zinc/79/33/77/572793377.db2.gz GDMNYQJTKVPCHH-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO C[C@@H]1CC[N@H+](C2CCCC2)CCN1 49661537 572793396 /nfs/dbraw/zinc/79/33/96/572793396.db2.gz LTDKGFYTEFZSQI-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@@H]1CCN(C2CCCC2)CC[NH2+]1 49661537 572793405 /nfs/dbraw/zinc/79/34/05/572793405.db2.gz LTDKGFYTEFZSQI-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC(CC)[N@H+]1CCNC[C@H](C)C1 49661544 572793744 /nfs/dbraw/zinc/79/37/44/572793744.db2.gz UEKUWJYWPPBZGK-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CC2)CCN1 49660768 572793484 /nfs/dbraw/zinc/79/34/84/572793484.db2.gz WFTIJXFASZXRJZ-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]1CCN(CC2CC2)CC[NH2+]1 49660768 572793496 /nfs/dbraw/zinc/79/34/96/572793496.db2.gz WFTIJXFASZXRJZ-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO CCSCC[NH2+][C@H](C)C(F)F 307935979 572793532 /nfs/dbraw/zinc/79/35/32/572793532.db2.gz YETUQUNYEOVJDO-ZCFIWIBFSA-N 1 1 183.267 1.983 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2CC2)CCN1 49660766 572793567 /nfs/dbraw/zinc/79/35/67/572793567.db2.gz WFTIJXFASZXRJZ-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1CCN(CC2CC2)CC[NH2+]1 49660766 572793572 /nfs/dbraw/zinc/79/35/72/572793572.db2.gz WFTIJXFASZXRJZ-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO CCC[C@H](N)C[NH2+][C@H]1CCC1(C)C 308128596 572793577 /nfs/dbraw/zinc/79/35/77/572793577.db2.gz CHIOJMRFCZNIED-UWVGGRQHSA-N 1 1 184.327 1.892 10 0 ADAEMO CC(C)CC[N@H+]1CCN[C@H](C)CC1 49660907 572793647 /nfs/dbraw/zinc/79/36/47/572793647.db2.gz HYZUSEGOQCLWCZ-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CC(C)CCN1CC[NH2+][C@H](C)CC1 49660907 572793649 /nfs/dbraw/zinc/79/36/49/572793649.db2.gz HYZUSEGOQCLWCZ-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@@H](C)[C@H]1CO 299911648 572793677 /nfs/dbraw/zinc/79/36/77/572793677.db2.gz OGLWGTCNLZVFCM-WCABBAIRSA-N 1 1 199.294 1.057 10 0 ADAEMO CC[C@H]([NH3+])C(CC)(CC)N(C)C 85750551 572794733 /nfs/dbraw/zinc/79/47/33/572794733.db2.gz MWRCBOSKDQHDKF-VIFPVBQESA-N 1 1 172.316 1.844 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CCN[C@@H](C)CC1 49660714 572794118 /nfs/dbraw/zinc/79/41/18/572794118.db2.gz JBZPSYQRUAMKMM-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1CNCC[N@H+](C2CCCCC2)C1 49661576 572794129 /nfs/dbraw/zinc/79/41/29/572794129.db2.gz VSUHSJAXGFURAR-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@H]1CC[N@H+](C(C)(C)C)CCN1 49660779 572794154 /nfs/dbraw/zinc/79/41/54/572794154.db2.gz PGKZXMWADOJTHF-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO C[C@H]1CCN(C(C)(C)C)CC[NH2+]1 49660779 572794161 /nfs/dbraw/zinc/79/41/61/572794161.db2.gz PGKZXMWADOJTHF-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CCC(CC)[N@H+]1CCN[C@H](C)CC1 49661549 572794276 /nfs/dbraw/zinc/79/42/76/572794276.db2.gz DOSOENBPTGYUTC-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCCN1CC[NH2+][C@H](CC)CC1 49661552 572794330 /nfs/dbraw/zinc/79/43/30/572794330.db2.gz OIIWSPMYCMCNIL-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO C=C/C=C\CC[N@H+]1CCNC[C@H](C)C1 713756452 572795055 /nfs/dbraw/zinc/79/50/55/572795055.db2.gz AAXBCVIOWBQBQK-RXNFCKPNSA-N 1 1 194.322 1.660 10 0 ADAEMO C/C=C/C[N@@H+](C)C[C@@H](O)C1CC1 307940667 572794365 /nfs/dbraw/zinc/79/43/65/572794365.db2.gz BWEWTDKRZNICCP-HMDXOVGESA-N 1 1 169.268 1.265 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCN[C@@H](C)CC1 49661371 572794366 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49662329 572795097 /nfs/dbraw/zinc/79/50/97/572795097.db2.gz QXQSSHWWYWUQOH-SNVBAGLBSA-N 1 1 184.327 1.574 10 0 ADAEMO CCCN1CC[NH2+][C@H](C)CC1 49661559 572795198 /nfs/dbraw/zinc/79/51/98/572795198.db2.gz RBRMLRRJXGEYPG-SECBINFHSA-N 1 1 156.273 1.080 10 0 ADAEMO CCC[N@@H+]1CCN[C@H](C)CC1 49661559 572795195 /nfs/dbraw/zinc/79/51/95/572795195.db2.gz RBRMLRRJXGEYPG-SECBINFHSA-N 1 1 156.273 1.080 10 0 ADAEMO CCC[N@H+]1CCN[C@H](C)CC1 49661559 572795196 /nfs/dbraw/zinc/79/51/96/572795196.db2.gz RBRMLRRJXGEYPG-SECBINFHSA-N 1 1 156.273 1.080 10 0 ADAEMO CC(C)[N@@H+]1CCN[C@H](C)CC1 49660810 572795469 /nfs/dbraw/zinc/79/54/69/572795469.db2.gz MUPXRVOFBIRNGQ-SECBINFHSA-N 1 1 156.273 1.079 10 0 ADAEMO CC(C)[N@H+]1CCN[C@H](C)CC1 49660810 572795470 /nfs/dbraw/zinc/79/54/70/572795470.db2.gz MUPXRVOFBIRNGQ-SECBINFHSA-N 1 1 156.273 1.079 10 0 ADAEMO C[C@H]1CC[N@H+](C2CCCC2)CCN1 49661538 572795483 /nfs/dbraw/zinc/79/54/83/572795483.db2.gz LTDKGFYTEFZSQI-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO 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/nfs/dbraw/zinc/79/98/78/572799878.db2.gz RXHYVHKZHHTTQW-KOLCDFICSA-N 1 1 197.278 1.219 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@H+]1C[C@@H]1CCCO1 49694015 572799880 /nfs/dbraw/zinc/79/98/80/572799880.db2.gz RXHYVHKZHHTTQW-KOLCDFICSA-N 1 1 197.278 1.219 10 0 ADAEMO C[C@H]1CC(=O)CC[N@H+]1C(C)(C)C 49694129 572802593 /nfs/dbraw/zinc/80/25/93/572802593.db2.gz UPVLLJYIDIAJDT-QMMMGPOBSA-N 1 1 169.268 1.838 10 0 ADAEMO C[C@@H]1C[N@H+](C2CCOCC2)CCC1=O 49693752 572800057 /nfs/dbraw/zinc/80/00/57/572800057.db2.gz VNVYIWBZNDCKIE-SECBINFHSA-N 1 1 197.278 1.076 10 0 ADAEMO C[C@H]1CC(=O)CC[N@@H+]1C1CC1 49708984 572800415 /nfs/dbraw/zinc/80/04/15/572800415.db2.gz AMMQALMYCSGJJF-ZETCQYMHSA-N 1 1 153.225 1.202 10 0 ADAEMO C[C@H]1CC(=O)CC[N@H+]1C1CC1 49708984 572800425 /nfs/dbraw/zinc/80/04/25/572800425.db2.gz AMMQALMYCSGJJF-ZETCQYMHSA-N 1 1 153.225 1.202 10 0 ADAEMO CN(C)C1([C@@H]([NH3+])CC2CC2)CCCC1 85751884 572800624 /nfs/dbraw/zinc/80/06/24/572800624.db2.gz UXQCSOZKVXRROK-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1C[N@@H+](CC(C)(C)C)CCC1=O 49693794 572800652 /nfs/dbraw/zinc/80/06/52/572800652.db2.gz QMAYMZDMPHMJQB-SECBINFHSA-N 1 1 183.295 1.943 10 0 ADAEMO COC[C@H](C)[N@@H+]1CCC(=O)C[C@H]1C 49707845 572800727 /nfs/dbraw/zinc/80/07/27/572800727.db2.gz IJGAGVHYQUMSOQ-BDAKNGLRSA-N 1 1 185.267 1.075 10 0 ADAEMO COC[C@H](C)[N@H+]1CCC(=O)C[C@H]1C 49707845 572800731 /nfs/dbraw/zinc/80/07/31/572800731.db2.gz IJGAGVHYQUMSOQ-BDAKNGLRSA-N 1 1 185.267 1.075 10 0 ADAEMO C[C@H]1CC(=O)CC[N@H+]1CC1CC1 49694106 572800920 /nfs/dbraw/zinc/80/09/20/572800920.db2.gz HHIORNPCJCXRND-QMMMGPOBSA-N 1 1 167.252 1.450 10 0 ADAEMO CC(C)[N@H+]1CCC(=O)C[C@@H]1C 49694192 572800982 /nfs/dbraw/zinc/80/09/82/572800982.db2.gz YIRNZMREVRSQTI-QMMMGPOBSA-N 1 1 155.241 1.448 10 0 ADAEMO Cc1ccc(C)c([C@H](CN)[NH+](C)C)c1 49670374 572800965 /nfs/dbraw/zinc/80/09/65/572800965.db2.gz LHAXALPOBPIJBP-LBPRGKRZSA-N 1 1 192.306 1.865 10 0 ADAEMO CC[N@@H+](C[C@@H](C)O)C[Si](C)(C)C 307940348 572802703 /nfs/dbraw/zinc/80/27/03/572802703.db2.gz BOSQXKHQARQHRT-SECBINFHSA-N 1 1 189.375 1.567 10 0 ADAEMO CCCC[N@H+]1CCC(=O)C[C@@H]1C 49707357 572801234 /nfs/dbraw/zinc/80/12/34/572801234.db2.gz IIUVDWFWKFDMTH-VIFPVBQESA-N 1 1 169.268 1.840 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCC(=O)[C@H](C)C1 49693734 572801284 /nfs/dbraw/zinc/80/12/84/572801284.db2.gz LIPLKEJIKOUMOZ-BDAKNGLRSA-N 1 1 181.279 1.696 10 0 ADAEMO C/C=C\c1nnc([C@@H]([NH3+])CC)o1 307938770 572801431 /nfs/dbraw/zinc/80/14/31/572801431.db2.gz RKHLTEMALLGSBC-LMXCLXGDSA-N 1 1 167.212 1.513 10 0 ADAEMO C/C=C\c1nnc([C@H]([NH3+])CC)o1 307938769 572801460 /nfs/dbraw/zinc/80/14/60/572801460.db2.gz RKHLTEMALLGSBC-CWVDAHFDSA-N 1 1 167.212 1.513 10 0 ADAEMO CCSCC[NH2+]Cc1ncccn1 308132480 572801521 /nfs/dbraw/zinc/80/15/21/572801521.db2.gz FWLRVGFTKBMREU-UHFFFAOYSA-N 1 1 197.307 1.319 10 0 ADAEMO C[C@H]1CN[C@H](C)C[N@H+]1CC1(C)CCC1 235352452 572801533 /nfs/dbraw/zinc/80/15/33/572801533.db2.gz PJVCDHQHROTDST-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1C[NH2+][C@H](C)CN1CC1(C)CCC1 235352452 572801538 /nfs/dbraw/zinc/80/15/38/572801538.db2.gz PJVCDHQHROTDST-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@H+]1C(C)(C)C 49694128 572801571 /nfs/dbraw/zinc/80/15/71/572801571.db2.gz UPVLLJYIDIAJDT-MRVPVSSYSA-N 1 1 169.268 1.838 10 0 ADAEMO CC[N@@H+](C[C@@H](C)N)CC(C)(C)C 307937857 572801598 /nfs/dbraw/zinc/80/15/98/572801598.db2.gz AMTJQKMTGSTJAX-SECBINFHSA-N 1 1 172.316 1.702 10 0 ADAEMO CCN(C[C@@H](C)[NH3+])CC(C)(C)C 307937857 572801600 /nfs/dbraw/zinc/80/16/00/572801600.db2.gz AMTJQKMTGSTJAX-SECBINFHSA-N 1 1 172.316 1.702 10 0 ADAEMO CC[C@H](C)[N@@H+](CCN)CCCOC 308132501 572801615 /nfs/dbraw/zinc/80/16/15/572801615.db2.gz FYHAQUVYOZLRTR-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO CC[C@H](C)N(CC[NH3+])CCCOC 308132501 572801617 /nfs/dbraw/zinc/80/16/17/572801617.db2.gz FYHAQUVYOZLRTR-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO C[NH2+][C@H](C1CC1)C1(N(C)C)CCCC1 85752048 572801626 /nfs/dbraw/zinc/80/16/26/572801626.db2.gz RITFGUHRAPUEHN-LLVKDONJSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[N@H+]1CCC(=O)C[C@H]1C 49694191 572801661 /nfs/dbraw/zinc/80/16/61/572801661.db2.gz YIRNZMREVRSQTI-MRVPVSSYSA-N 1 1 155.241 1.448 10 0 ADAEMO CCOC(C)(C)C[NH2+][C@@H](C)[C@@H](C)N 308132552 572802730 /nfs/dbraw/zinc/80/27/30/572802730.db2.gz KONZMGXBONDDPQ-BDAKNGLRSA-N 1 1 188.315 1.127 10 0 ADAEMO C[C@@H](F)CC[N@@H+](C)C(C)(C)CO 307937906 572801773 /nfs/dbraw/zinc/80/17/73/572801773.db2.gz APUUCEOVSZUTGJ-MRVPVSSYSA-N 1 1 177.263 1.437 10 0 ADAEMO CC[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49708536 572801834 /nfs/dbraw/zinc/80/18/34/572801834.db2.gz XYSKWPPRKRUSPY-IUCAKERBSA-N 1 1 169.268 1.838 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@@H+]1C1CC1 49708982 572801841 /nfs/dbraw/zinc/80/18/41/572801841.db2.gz AMMQALMYCSGJJF-SSDOTTSWSA-N 1 1 153.225 1.202 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@H+]1C1CC1 49708982 572801844 /nfs/dbraw/zinc/80/18/44/572801844.db2.gz AMMQALMYCSGJJF-SSDOTTSWSA-N 1 1 153.225 1.202 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CCCC2(C)C)C[C@@H]1N 235345485 572801867 /nfs/dbraw/zinc/80/18/67/572801867.db2.gz FKAVTDVFDIZVFJ-OUAUKWLOSA-N 1 1 196.338 1.844 10 0 ADAEMO [NH3+][C@H]1COc2c(Cl)cccc2C1=O 75068268 572803666 /nfs/dbraw/zinc/80/36/66/572803666.db2.gz QFDRLEBSOILXIL-ZETCQYMHSA-N 1 1 197.621 1.242 10 0 ADAEMO Cc1ccc(CC2(O)C[NH+](C)C2)cc1 107135203 572802006 /nfs/dbraw/zinc/80/20/06/572802006.db2.gz FBOVFHSITGDHHK-UHFFFAOYSA-N 1 1 191.274 1.214 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@H+]1CC1CC1 49694105 572802097 /nfs/dbraw/zinc/80/20/97/572802097.db2.gz HHIORNPCJCXRND-MRVPVSSYSA-N 1 1 167.252 1.450 10 0 ADAEMO CONCc1ccc2c(c1)C[N@H+](C)C2 75068042 572802794 /nfs/dbraw/zinc/80/27/94/572802794.db2.gz QDBYOACHZUHUKU-UHFFFAOYSA-N 1 1 192.262 1.283 10 0 ADAEMO C[C@@H]1C[N@@H+](C2CC2)CCC1=O 49693576 572802359 /nfs/dbraw/zinc/80/23/59/572802359.db2.gz PXEGFERARKBEQM-SSDOTTSWSA-N 1 1 153.225 1.060 10 0 ADAEMO C[C@@H]1C[N@H+](C2CC2)CCC1=O 49693576 572802360 /nfs/dbraw/zinc/80/23/60/572802360.db2.gz PXEGFERARKBEQM-SSDOTTSWSA-N 1 1 153.225 1.060 10 0 ADAEMO C[C@H]1C[N@@H+]([C@@H](C)C2CC2)CCC1=O 49693735 572802369 /nfs/dbraw/zinc/80/23/69/572802369.db2.gz LIPLKEJIKOUMOZ-IUCAKERBSA-N 1 1 181.279 1.696 10 0 ADAEMO CC(C)/C=C\[N@H+]1CCC[C@H]1CO 307939654 572802405 /nfs/dbraw/zinc/80/24/05/572802405.db2.gz UHRIYJFIWOZLIO-BXKUYDPTSA-N 1 1 169.268 1.613 10 0 ADAEMO C[C@H]1CC(=O)CC[N@@H+]1C[C@@H]1CCCO1 49694023 572802456 /nfs/dbraw/zinc/80/24/56/572802456.db2.gz RXHYVHKZHHTTQW-ONGXEEELSA-N 1 1 197.278 1.219 10 0 ADAEMO C[C@H]1CC(=O)CC[N@H+]1C[C@@H]1CCCO1 49694023 572802459 /nfs/dbraw/zinc/80/24/59/572802459.db2.gz RXHYVHKZHHTTQW-ONGXEEELSA-N 1 1 197.278 1.219 10 0 ADAEMO CCc1cc(N)n(C)c1[NH+]1CCCC1 257568068 572802564 /nfs/dbraw/zinc/80/25/64/572802564.db2.gz DHWJMQSIXAWMET-UHFFFAOYSA-N 1 1 193.294 1.770 10 0 ADAEMO C[C@@H](CCCO)[N@H+]1CC[C@@H](C)C1 307940588 572802660 /nfs/dbraw/zinc/80/26/60/572802660.db2.gz BPHATTOOJJUDOM-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49708534 572802672 /nfs/dbraw/zinc/80/26/72/572802672.db2.gz XYSKWPPRKRUSPY-BDAKNGLRSA-N 1 1 169.268 1.838 10 0 ADAEMO CC1CC([N@H+](C)C[C@@H](C)CO)C1 307939944 572802765 /nfs/dbraw/zinc/80/27/65/572802765.db2.gz BIDIEZGJDCECIP-HWOCKDDLSA-N 1 1 171.284 1.345 10 0 ADAEMO COCC[C@@H]1CC[N@H+](C(C)C)C1 307940453 572802952 /nfs/dbraw/zinc/80/29/52/572802952.db2.gz WVFUHPQIXQZHSS-JTQLQIEISA-N 1 1 171.284 1.753 10 0 ADAEMO CCOC(C)(C)C[NH2+][C@H](C)[C@H](C)N 308132553 572802980 /nfs/dbraw/zinc/80/29/80/572802980.db2.gz KONZMGXBONDDPQ-DTWKUNHWSA-N 1 1 188.315 1.127 10 0 ADAEMO CCCC[N@H+]1CCC(=O)C[C@H]1C 49707358 572803060 /nfs/dbraw/zinc/80/30/60/572803060.db2.gz IIUVDWFWKFDMTH-SECBINFHSA-N 1 1 169.268 1.840 10 0 ADAEMO CSCC[N@H+](C)Cc1ccno1 307939779 572803063 /nfs/dbraw/zinc/80/30/63/572803063.db2.gz VLSRRJWSVRSITH-UHFFFAOYSA-N 1 1 186.280 1.469 10 0 ADAEMO CSCC[N@@H+](C)Cc1ccno1 307939779 572803067 /nfs/dbraw/zinc/80/30/67/572803067.db2.gz VLSRRJWSVRSITH-UHFFFAOYSA-N 1 1 186.280 1.469 10 0 ADAEMO CN(C)C1([C@H]([NH3+])CC2CC2)CCCC1 85751882 572803123 /nfs/dbraw/zinc/80/31/23/572803123.db2.gz UXQCSOZKVXRROK-LLVKDONJSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)[C@@H]1[C@H]([NH3+])C[C@H](C)[N@@H+](C)[C@@H]1C 257583880 572806322 /nfs/dbraw/zinc/80/63/22/572806322.db2.gz SCGAPVQFBPUZBO-ZDCRXTMVSA-N 1 1 184.327 1.698 10 0 ADAEMO C[C@H]1C[N@H+](C2CCOCC2)CCC1=O 49693753 572803267 /nfs/dbraw/zinc/80/32/67/572803267.db2.gz VNVYIWBZNDCKIE-VIFPVBQESA-N 1 1 197.278 1.076 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CCC(C)(C)C2)C[C@@H]1N 235344945 572803376 /nfs/dbraw/zinc/80/33/76/572803376.db2.gz NALSEZSVJYWICZ-MXWKQRLJSA-N 1 1 196.338 1.844 10 0 ADAEMO COCC[C@H]1CC[N@H+](C(C)C)C1 307940454 572803388 /nfs/dbraw/zinc/80/33/88/572803388.db2.gz WVFUHPQIXQZHSS-SNVBAGLBSA-N 1 1 171.284 1.753 10 0 ADAEMO C[NH2+][C@@H](C1CC1)C1(N(C)C)CCCC1 85752047 572803528 /nfs/dbraw/zinc/80/35/28/572803528.db2.gz RITFGUHRAPUEHN-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO C/C=C\CN1CC[N@H+]2CCC[C@H]2C1 393556919 572803561 /nfs/dbraw/zinc/80/35/61/572803561.db2.gz PWSCYFUQXHEHPJ-QUCGXOGASA-N 1 1 180.295 1.343 10 0 ADAEMO C[C@@H]1C[N@@H+](CC2(C)CCC2)CCCN1 235352348 572803590 /nfs/dbraw/zinc/80/35/90/572803590.db2.gz XOSYZMQBQIRFKO-LLVKDONJSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H](C)[N@@H+](CCN)CCCOC 308132502 572803688 /nfs/dbraw/zinc/80/36/88/572803688.db2.gz FYHAQUVYOZLRTR-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CC[C@@H](C)N(CC[NH3+])CCCOC 308132502 572803689 /nfs/dbraw/zinc/80/36/89/572803689.db2.gz FYHAQUVYOZLRTR-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CCOC(C)(C)C[NH2+][C@@H](C)[C@H](C)N 308132554 572803741 /nfs/dbraw/zinc/80/37/41/572803741.db2.gz KONZMGXBONDDPQ-IUCAKERBSA-N 1 1 188.315 1.127 10 0 ADAEMO COc1ccc2[nH]nc([C@H](C)[NH3+])c2c1 75068000 572803798 /nfs/dbraw/zinc/80/37/98/572803798.db2.gz YEHACQMNDUBXSQ-LURJTMIESA-N 1 1 191.234 1.591 10 0 ADAEMO C[C@H]1CC[N@H+]([C@H](C)CCCO)C1 307940587 572803817 /nfs/dbraw/zinc/80/38/17/572803817.db2.gz BPHATTOOJJUDOM-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@@H](C)[C@H](CO)[NH2+]CC(F)F 307947382 572803826 /nfs/dbraw/zinc/80/38/26/572803826.db2.gz KXBSTDWUISIXJJ-RQJHMYQMSA-N 1 1 181.226 1.248 10 0 ADAEMO [NH3+][C@@H]1COc2c(Cl)cccc2C1=O 75068269 572803928 /nfs/dbraw/zinc/80/39/28/572803928.db2.gz QFDRLEBSOILXIL-SSDOTTSWSA-N 1 1 197.621 1.242 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H](C)CCCO)C1 307940586 572804084 /nfs/dbraw/zinc/80/40/84/572804084.db2.gz BPHATTOOJJUDOM-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@H](C)[C@@H](CO)[NH2+]CC(F)F 307947380 572804265 /nfs/dbraw/zinc/80/42/65/572804265.db2.gz KXBSTDWUISIXJJ-NKWVEPMBSA-N 1 1 181.226 1.248 10 0 ADAEMO CONCc1cccc2[nH+]cc(C)n12 75067998 572804109 /nfs/dbraw/zinc/80/41/09/572804109.db2.gz KAPPUZJJTXIGHI-UHFFFAOYSA-N 1 1 191.234 1.294 10 0 ADAEMO C/C=C\CN1CC[N@H+]2CCC[C@@H]2C1 393556900 572804122 /nfs/dbraw/zinc/80/41/22/572804122.db2.gz PWSCYFUQXHEHPJ-OTDNITJGSA-N 1 1 180.295 1.343 10 0 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QCUMQBYMYXKNRR-UWVGGRQHSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@@H]1CCC[N@H+](CC2(CN)CC2)C1 49805795 572809203 /nfs/dbraw/zinc/80/92/03/572809203.db2.gz OHEYVAAGXQUVOY-SNVBAGLBSA-N 1 1 182.311 1.457 10 0 ADAEMO C[C@@H]1CCC[N@@H+](CC2(CN)CC2)C1 49805795 572809208 /nfs/dbraw/zinc/80/92/08/572809208.db2.gz OHEYVAAGXQUVOY-SNVBAGLBSA-N 1 1 182.311 1.457 10 0 ADAEMO C[C@H]([NH3+])C(=O)Oc1ccccc1F 49805810 572809400 /nfs/dbraw/zinc/80/94/00/572809400.db2.gz MGMUZJMCASKCDL-LURJTMIESA-N 1 1 183.182 1.078 10 0 ADAEMO C[C@@H]1CCC[N@@H+](CC2(CO)CC2)C1 49805870 572809449 /nfs/dbraw/zinc/80/94/49/572809449.db2.gz FECVEHQKMKYCSU-SNVBAGLBSA-N 1 1 183.295 1.491 10 0 ADAEMO CCC[N@H+](C1CNC1)[C@@H]1CC[C@@H]1C 308137630 572809656 /nfs/dbraw/zinc/80/96/56/572809656.db2.gz JIBUHSHBJKFZHN-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H](CO)C[N@@H+](C)CCCCF 307943755 572809512 /nfs/dbraw/zinc/80/95/12/572809512.db2.gz FYJVSTZBFVIGCZ-VIFPVBQESA-N 1 1 177.263 1.296 10 0 ADAEMO Cc1ccc(OC(=O)[C@@H](C)[NH3+])cc1 49805522 572809525 /nfs/dbraw/zinc/80/95/25/572809525.db2.gz ZHUGAPDICWMYFB-MRVPVSSYSA-N 1 1 179.219 1.248 10 0 ADAEMO Cc1cc(C)cc(OC(=O)C[NH3+])c1 49805532 572809534 /nfs/dbraw/zinc/80/95/34/572809534.db2.gz ZFRNXCOILJKVHJ-UHFFFAOYSA-N 1 1 179.219 1.168 10 0 ADAEMO CCC[N@@H+](C1CNC1)[C@@H]1CC[C@@H]1C 308137630 572809661 /nfs/dbraw/zinc/80/96/61/572809661.db2.gz JIBUHSHBJKFZHN-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO Cc1cccc(OC(=O)[C@H](C)[NH3+])c1 49805520 572809667 /nfs/dbraw/zinc/80/96/67/572809667.db2.gz QCVIFHGSIVJCPV-QMMMGPOBSA-N 1 1 179.219 1.248 10 0 ADAEMO CC1CC[NH+](CC(C)(C)CN)CC1 49805940 572811073 /nfs/dbraw/zinc/81/10/73/572811073.db2.gz GYBODEOMIVHRGG-UHFFFAOYSA-N 1 1 184.327 1.703 10 0 ADAEMO C[C@H]1CCCC[N@@H+]1CC1(CN)CC1 49805794 572809772 /nfs/dbraw/zinc/80/97/72/572809772.db2.gz FEZUIYUTEUUQNW-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H]1CCCC[N@H+]1CC1(CN)CC1 49805794 572809775 /nfs/dbraw/zinc/80/97/75/572809775.db2.gz FEZUIYUTEUUQNW-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H]([NH3+])C(=O)c1ccc(Cl)cn1 75086238 572809861 /nfs/dbraw/zinc/80/98/61/572809861.db2.gz IONKDOZAUXBSNX-YFKPBYRVSA-N 1 1 184.626 1.265 10 0 ADAEMO CC[C@H](C)[C@H](N)C[NH2+][C@H]1CC[C@H]1C 308138391 572809867 /nfs/dbraw/zinc/80/98/67/572809867.db2.gz JPZSEPZFMPMSQW-ZDCRXTMVSA-N 1 1 184.327 1.748 10 0 ADAEMO Cc1[nH]c2ccccc2c1C(=O)C[NH3+] 49806280 572809868 /nfs/dbraw/zinc/80/98/68/572809868.db2.gz LUQZOUUTZNQVFO-UHFFFAOYSA-N 1 1 188.230 1.618 10 0 ADAEMO Cc1cccc(OC(=O)[C@@H](C)[NH3+])c1 49805519 572809946 /nfs/dbraw/zinc/80/99/46/572809946.db2.gz QCVIFHGSIVJCPV-MRVPVSSYSA-N 1 1 179.219 1.248 10 0 ADAEMO CC[N@@H+](CCN)[C@@H]1C[C@@H](C)[C@@H]1C 308139195 572811191 /nfs/dbraw/zinc/81/11/91/572811191.db2.gz GHSPGNDBQZUZBF-KXUCPTDWSA-N 1 1 170.300 1.312 10 0 ADAEMO CCN(CC[NH3+])[C@@H]1C[C@@H](C)[C@@H]1C 308139195 572811192 /nfs/dbraw/zinc/81/11/92/572811192.db2.gz GHSPGNDBQZUZBF-KXUCPTDWSA-N 1 1 170.300 1.312 10 0 ADAEMO CC[C@H](C)[NH2+]C[C@@H](N)CC1CC1 307942533 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572810646 /nfs/dbraw/zinc/81/06/46/572810646.db2.gz FEZUIYUTEUUQNW-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO CC[C@H](C)[NH2+]C[C@H](N)CC1CC1 307942531 572810650 /nfs/dbraw/zinc/81/06/50/572810650.db2.gz DEMMTWMLCGSOSY-WCBMZHEXSA-N 1 1 170.300 1.502 10 0 ADAEMO Cc1ccc(OC(=O)C[NH3+])cc1C 49805533 572810671 /nfs/dbraw/zinc/81/06/71/572810671.db2.gz NJGVEAPSOKTBHE-UHFFFAOYSA-N 1 1 179.219 1.168 10 0 ADAEMO C[C@H]1CCCC[N@H+]1CC1(CO)CC1 49805869 572810703 /nfs/dbraw/zinc/81/07/03/572810703.db2.gz NIPWGTYUMYWICE-JTQLQIEISA-N 1 1 183.295 1.633 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1CC1(CO)CC1 49805868 572810744 /nfs/dbraw/zinc/81/07/44/572810744.db2.gz NIPWGTYUMYWICE-SNVBAGLBSA-N 1 1 183.295 1.633 10 0 ADAEMO CC[C@@H](C)[NH2+]C[C@H](N)CC1CC1 307942528 572810770 /nfs/dbraw/zinc/81/07/70/572810770.db2.gz DEMMTWMLCGSOSY-PSASIEDQSA-N 1 1 170.300 1.502 10 0 ADAEMO Cc1ccc([C@@H]2C[N@H+](C)CCN2)cc1 49806624 572810822 /nfs/dbraw/zinc/81/08/22/572810822.db2.gz COCITHFVHBWIHR-LBPRGKRZSA-N 1 1 190.290 1.571 10 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/nfs/dbraw/zinc/81/08/66/572810866.db2.gz QNRCOZHPMCMBGR-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[N@@H+](C)Cn1cc(Cl)cn1 307943491 572810901 /nfs/dbraw/zinc/81/09/01/572810901.db2.gz FTUQYJKBIRQGDT-UHFFFAOYSA-N 1 1 187.674 1.836 10 0 ADAEMO CC1CC[NH+](CC2(CN)CC2)CC1 49805791 572810930 /nfs/dbraw/zinc/81/09/30/572810930.db2.gz BVOZOESEXRURNX-UHFFFAOYSA-N 1 1 182.311 1.457 10 0 ADAEMO C[C@H]1CCC[N@@H+](CC2(CN)CC2)C1 49805796 572810976 /nfs/dbraw/zinc/81/09/76/572810976.db2.gz OHEYVAAGXQUVOY-JTQLQIEISA-N 1 1 182.311 1.457 10 0 ADAEMO C[C@H]1CCC[N@H+](CC2(CN)CC2)C1 49805796 572810975 /nfs/dbraw/zinc/81/09/75/572810975.db2.gz OHEYVAAGXQUVOY-JTQLQIEISA-N 1 1 182.311 1.457 10 0 ADAEMO Cc1cccc(OC(=O)C[NH3+])c1C 49805531 572811015 /nfs/dbraw/zinc/81/10/15/572811015.db2.gz BSZTZSHBAAJOCY-UHFFFAOYSA-N 1 1 179.219 1.168 10 0 ADAEMO Cc1ccc(C)c(OC(=O)C[NH3+])c1 49805529 572811083 /nfs/dbraw/zinc/81/10/83/572811083.db2.gz RRZDRSAJTTYYLP-UHFFFAOYSA-N 1 1 179.219 1.168 10 0 ADAEMO C[C@@H]1CCCC[N@@H+]1CC(C)(C)CN 49805941 572811087 /nfs/dbraw/zinc/81/10/87/572811087.db2.gz FLPOSRGZCWJDPH-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1CC(C)(C)CN 49805941 572811090 /nfs/dbraw/zinc/81/10/90/572811090.db2.gz FLPOSRGZCWJDPH-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H]1CCCC[N@@H+]1CC(C)(C)CN 49805942 572811592 /nfs/dbraw/zinc/81/15/92/572811592.db2.gz FLPOSRGZCWJDPH-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H]1CCCC[N@H+]1CC(C)(C)CN 49805942 572811594 /nfs/dbraw/zinc/81/15/94/572811594.db2.gz FLPOSRGZCWJDPH-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)C[N@@H+](C)Cc1cncnc1 308133514 572811714 /nfs/dbraw/zinc/81/17/14/572811714.db2.gz COKYJMFZHAFLNL-UHFFFAOYSA-N 1 1 179.267 1.564 10 0 ADAEMO COc1nc([C@@]2(C)CCC[NH2+]2)ns1 75087642 572813217 /nfs/dbraw/zinc/81/32/17/572813217.db2.gz WZBRGKFAOJWCOC-MRVPVSSYSA-N 1 1 199.279 1.145 10 0 ADAEMO CCC[N@@H+](C)Cc1cncnc1 307944461 572811807 /nfs/dbraw/zinc/81/18/07/572811807.db2.gz HBJPYPCYPRNXHJ-UHFFFAOYSA-N 1 1 165.240 1.318 10 0 ADAEMO CC[N@@H+](CCN)[C@@H]1C[C@H](C)[C@@H]1C 308139488 572811822 /nfs/dbraw/zinc/81/18/22/572811822.db2.gz GHSPGNDBQZUZBF-LPEHRKFASA-N 1 1 170.300 1.312 10 0 ADAEMO CCN(CC[NH3+])[C@@H]1C[C@H](C)[C@@H]1C 308139488 572811824 /nfs/dbraw/zinc/81/18/24/572811824.db2.gz GHSPGNDBQZUZBF-LPEHRKFASA-N 1 1 170.300 1.312 10 0 ADAEMO COc1nc([C@]2(C)CCC[NH2+]2)ns1 75087643 572811894 /nfs/dbraw/zinc/81/18/94/572811894.db2.gz WZBRGKFAOJWCOC-QMMMGPOBSA-N 1 1 199.279 1.145 10 0 ADAEMO CCCCC[C@](C)(CN)[NH+]1CCC1 308138850 572811995 /nfs/dbraw/zinc/81/19/95/572811995.db2.gz JVCVGYWVUXBSNX-LLVKDONJSA-N 1 1 184.327 1.990 10 0 ADAEMO CC[N@@H+](CCN)[C@@H]1C[C@H](C)[C@H]1C 308139194 572812105 /nfs/dbraw/zinc/81/21/05/572812105.db2.gz GHSPGNDBQZUZBF-IVZWLZJFSA-N 1 1 170.300 1.312 10 0 ADAEMO CCN(CC[NH3+])[C@@H]1C[C@H](C)[C@H]1C 308139194 572812108 /nfs/dbraw/zinc/81/21/08/572812108.db2.gz GHSPGNDBQZUZBF-IVZWLZJFSA-N 1 1 170.300 1.312 10 0 ADAEMO CC(C)C[C@H](N)C[NH2+][C@H]1CC[C@@H]1C 308133595 572812325 /nfs/dbraw/zinc/81/23/25/572812325.db2.gz GPBVYZBEGKSSDV-DCAQKATOSA-N 1 1 184.327 1.748 10 0 ADAEMO Cc1cccc(OC(=O)[C@H](C)[NH3+])c1C 49807145 572812342 /nfs/dbraw/zinc/81/23/42/572812342.db2.gz MJKMZUMWCAMZSZ-VIFPVBQESA-N 1 1 193.246 1.556 10 0 ADAEMO C[C@H]([NH3+])C(=O)Oc1cccc(Cl)c1 49812073 572812360 /nfs/dbraw/zinc/81/23/60/572812360.db2.gz FGIQCSZMASEWSS-LURJTMIESA-N 1 1 199.637 1.593 10 0 ADAEMO C[N@@H+]1CCN[C@@H](c2ccc(F)cc2)C1 49811354 572812381 /nfs/dbraw/zinc/81/23/81/572812381.db2.gz VWXSREOLBJWSKY-LLVKDONJSA-N 1 1 194.253 1.402 10 0 ADAEMO C[N@H+]1CCN[C@@H](c2ccc(F)cc2)C1 49811354 572812383 /nfs/dbraw/zinc/81/23/83/572812383.db2.gz VWXSREOLBJWSKY-LLVKDONJSA-N 1 1 194.253 1.402 10 0 ADAEMO CC(C)C[C@H](O)C[N@@H+](C)C(C)C 307944151 572812454 /nfs/dbraw/zinc/81/24/54/572812454.db2.gz GMQFVPRFCJHCOI-JTQLQIEISA-N 1 1 173.300 1.734 10 0 ADAEMO Cc1ccc(OC(=O)[C@@H](C)[NH3+])c(C)c1 49807141 572812506 /nfs/dbraw/zinc/81/25/06/572812506.db2.gz ABHKPNNRDODBLN-SECBINFHSA-N 1 1 193.246 1.556 10 0 ADAEMO Cc1ccc(OC(=O)[C@H](C)[NH3+])cc1C 49807151 572812549 /nfs/dbraw/zinc/81/25/49/572812549.db2.gz GDOIPGOCFSMTMA-VIFPVBQESA-N 1 1 193.246 1.556 10 0 ADAEMO CC[C@@]1(CO)CCC[N@H+]1CCF 307943970 572812575 /nfs/dbraw/zinc/81/25/75/572812575.db2.gz GGNOEEKACKTMEC-VIFPVBQESA-N 1 1 175.247 1.193 10 0 ADAEMO Cc1cccc(C)c1OC(=O)[C@@H](C)[NH3+] 49807135 572812618 /nfs/dbraw/zinc/81/26/18/572812618.db2.gz OJLZWFVZMJGOGT-SECBINFHSA-N 1 1 193.246 1.556 10 0 ADAEMO CC[N@@H+](CCN)[C@@H]1C[C@@H](C)[C@H]1C 308139493 572812635 /nfs/dbraw/zinc/81/26/35/572812635.db2.gz GHSPGNDBQZUZBF-OPRDCNLKSA-N 1 1 170.300 1.312 10 0 ADAEMO CCCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 307944304 572812636 /nfs/dbraw/zinc/81/26/36/572812636.db2.gz GSUZNVRGVGQZLO-ZJUUUORDSA-N 1 1 169.268 1.101 10 0 ADAEMO CCN(CC[NH3+])[C@@H]1C[C@@H](C)[C@H]1C 308139493 572812637 /nfs/dbraw/zinc/81/26/37/572812637.db2.gz GHSPGNDBQZUZBF-OPRDCNLKSA-N 1 1 170.300 1.312 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCOC1 307945245 572812817 /nfs/dbraw/zinc/81/28/17/572812817.db2.gz ICSOPSFFBVHXTL-UWVGGRQHSA-N 1 1 171.284 1.896 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@H](OC(F)F)C1 308133462 572812826 /nfs/dbraw/zinc/81/28/26/572812826.db2.gz CLNLOMMQSQOKCY-MRVPVSSYSA-N 1 1 193.237 1.956 10 0 ADAEMO Cc1ccc(C)c(OC(=O)[C@@H](C)[NH3+])c1 49807138 572812828 /nfs/dbraw/zinc/81/28/28/572812828.db2.gz NBJZOWKEJBVFOU-SECBINFHSA-N 1 1 193.246 1.556 10 0 ADAEMO C[NH+](C)CC(=O)Cc1cccc(F)c1 85793037 572812845 /nfs/dbraw/zinc/81/28/45/572812845.db2.gz OYERDZAOHWBMER-UHFFFAOYSA-N 1 1 195.237 1.499 10 0 ADAEMO C[C@H](CCN(C)C)[NH2+]C(C)(C)C 307945092 572812891 /nfs/dbraw/zinc/81/28/91/572812891.db2.gz HYDKBOJVRKNOLJ-SECBINFHSA-N 1 1 172.316 1.715 10 0 ADAEMO Cc1ccc(OC(=O)[C@@H](C)[NH3+])cc1C 49807150 572812945 /nfs/dbraw/zinc/81/29/45/572812945.db2.gz GDOIPGOCFSMTMA-SECBINFHSA-N 1 1 193.246 1.556 10 0 ADAEMO CCOc1ccccc1[C@@H]1[NH2+]CCO1 49807057 572812954 /nfs/dbraw/zinc/81/29/54/572812954.db2.gz ZXABRKGRNSRTHZ-LLVKDONJSA-N 1 1 193.246 1.704 10 0 ADAEMO C[NH+](C)CC(=O)Cc1ccsc1 85793001 572813013 /nfs/dbraw/zinc/81/30/13/572813013.db2.gz OIWNDOVPVKDWIW-UHFFFAOYSA-N 1 1 183.276 1.421 10 0 ADAEMO Cc1cc(C)c(OC(=O)C[NH3+])cc1C 49807154 572813033 /nfs/dbraw/zinc/81/30/33/572813033.db2.gz PRHLJCGDSGWZFG-UHFFFAOYSA-N 1 1 193.246 1.476 10 0 ADAEMO CC[C@@H](C)[N@@H+](CC)[C@@H]1CCOC1 307945244 572813063 /nfs/dbraw/zinc/81/30/63/572813063.db2.gz ICSOPSFFBVHXTL-NXEZZACHSA-N 1 1 171.284 1.896 10 0 ADAEMO Cc1ccc(Cl)c(OC(=O)C[NH3+])c1 49812081 572813373 /nfs/dbraw/zinc/81/33/73/572813373.db2.gz XFAPTWQIJOPDKC-UHFFFAOYSA-N 1 1 199.637 1.513 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCOC1 307945246 572813079 /nfs/dbraw/zinc/81/30/79/572813079.db2.gz ICSOPSFFBVHXTL-VHSXEESVSA-N 1 1 171.284 1.896 10 0 ADAEMO Cc1cccc(CC(=O)C[NH+](C)C)c1 85793136 572813100 /nfs/dbraw/zinc/81/31/00/572813100.db2.gz GEBIHHRZJASXQF-UHFFFAOYSA-N 1 1 191.274 1.668 10 0 ADAEMO C/C=C\c1nnc(C2([NH3+])CC2)o1 307944070 572813103 /nfs/dbraw/zinc/81/31/03/572813103.db2.gz VDSIZOZGPPYNQJ-IHWYPQMZSA-N 1 1 165.196 1.051 10 0 ADAEMO C[N@@H+]1CCN[C@H](c2ccc(F)cc2)C1 49811353 572813225 /nfs/dbraw/zinc/81/32/25/572813225.db2.gz VWXSREOLBJWSKY-NSHDSACASA-N 1 1 194.253 1.402 10 0 ADAEMO C[N@H+]1CCN[C@H](c2ccc(F)cc2)C1 49811353 572813228 /nfs/dbraw/zinc/81/32/28/572813228.db2.gz VWXSREOLBJWSKY-NSHDSACASA-N 1 1 194.253 1.402 10 0 ADAEMO Cc1cc(OC(=O)C[NH3+])ccc1Cl 49812080 572813294 /nfs/dbraw/zinc/81/32/94/572813294.db2.gz LQDPHDIBIKBTGQ-UHFFFAOYSA-N 1 1 199.637 1.513 10 0 ADAEMO Cc1ccc(CC(=O)C[NH+](C)C)cc1 85793078 572813381 /nfs/dbraw/zinc/81/33/81/572813381.db2.gz NFEMPGHRZAIHFE-UHFFFAOYSA-N 1 1 191.274 1.668 10 0 ADAEMO CC(C)C[C@H](N)C[NH2+][C@@H]1CC[C@@H]1C 308133596 572813407 /nfs/dbraw/zinc/81/34/07/572813407.db2.gz GPBVYZBEGKSSDV-GARJFASQSA-N 1 1 184.327 1.748 10 0 ADAEMO Cc1ccc(OC(=O)[C@H](C)[NH3+])c(C)c1 49807142 572813458 /nfs/dbraw/zinc/81/34/58/572813458.db2.gz ABHKPNNRDODBLN-VIFPVBQESA-N 1 1 193.246 1.556 10 0 ADAEMO C[N@H+](CCCCF)C1CCNCC1 308139312 572813506 /nfs/dbraw/zinc/81/35/06/572813506.db2.gz KCDLMLZLYTVOQA-UHFFFAOYSA-N 1 1 188.290 1.420 10 0 ADAEMO C[N@@H+](CCCCF)C1CCNCC1 308139312 572813511 /nfs/dbraw/zinc/81/35/11/572813511.db2.gz KCDLMLZLYTVOQA-UHFFFAOYSA-N 1 1 188.290 1.420 10 0 ADAEMO CCOc1ccccc1[C@H]1[NH2+]CCO1 49807058 572813633 /nfs/dbraw/zinc/81/36/33/572813633.db2.gz ZXABRKGRNSRTHZ-NSHDSACASA-N 1 1 193.246 1.704 10 0 ADAEMO CCCCC[C@@](C)(CN)[NH+]1CCC1 308138851 572813641 /nfs/dbraw/zinc/81/36/41/572813641.db2.gz JVCVGYWVUXBSNX-NSHDSACASA-N 1 1 184.327 1.990 10 0 ADAEMO Cc1cc(Cl)ccc1OC(=O)C[NH3+] 49812079 572813662 /nfs/dbraw/zinc/81/36/62/572813662.db2.gz QBIMYGWPDOUOFX-UHFFFAOYSA-N 1 1 199.637 1.513 10 0 ADAEMO CC(C)C[C@H](N)C[NH2+][C@H]1CC[C@H]1C 308133598 572813801 /nfs/dbraw/zinc/81/38/01/572813801.db2.gz GPBVYZBEGKSSDV-VWYCJHECSA-N 1 1 184.327 1.748 10 0 ADAEMO CC(C)NCC[NH2+]C1(C2CC2)CC1 308133490 572813819 /nfs/dbraw/zinc/81/38/19/572813819.db2.gz CNCQOMSHPXFRBH-UHFFFAOYSA-N 1 1 182.311 1.517 10 0 ADAEMO CC(C)C[C@H](N)C[NH2+][C@@H]1CC[C@H]1C 308133597 572813856 /nfs/dbraw/zinc/81/38/56/572813856.db2.gz GPBVYZBEGKSSDV-OUAUKWLOSA-N 1 1 184.327 1.748 10 0 ADAEMO CCCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 307944302 572814017 /nfs/dbraw/zinc/81/40/17/572814017.db2.gz GSUZNVRGVGQZLO-VHSXEESVSA-N 1 1 169.268 1.101 10 0 ADAEMO Cc1ccccc1CC(=O)C[NH+](C)C 85793029 572814021 /nfs/dbraw/zinc/81/40/21/572814021.db2.gz AGDWHXWPCMAKJW-UHFFFAOYSA-N 1 1 191.274 1.668 10 0 ADAEMO C[N@H+]1CCCC[C@H](Nc2ncco2)C1 75122434 572814416 /nfs/dbraw/zinc/81/44/16/572814416.db2.gz OUGUQJFZQJTRJD-VIFPVBQESA-N 1 1 195.266 1.571 10 0 ADAEMO Cc1nc(CC(=O)C[NH+](C)C)cs1 85793057 572814157 /nfs/dbraw/zinc/81/41/57/572814157.db2.gz ZOLHEGUCVREZSG-UHFFFAOYSA-N 1 1 198.291 1.125 10 0 ADAEMO Cc1cnc(N[C@H]2CCC[N@H+](C)C2)o1 75122431 572814427 /nfs/dbraw/zinc/81/44/27/572814427.db2.gz WYWVPROUYNDILY-VIFPVBQESA-N 1 1 195.266 1.489 10 0 ADAEMO CC[C@@H](C)[N@@H+](CC)[C@H]1CCOC1 307945247 572814187 /nfs/dbraw/zinc/81/41/87/572814187.db2.gz ICSOPSFFBVHXTL-ZJUUUORDSA-N 1 1 171.284 1.896 10 0 ADAEMO C[C@@H](CCN(C)C)[NH2+]C(C)(C)C 307945094 572814204 /nfs/dbraw/zinc/81/42/04/572814204.db2.gz HYDKBOJVRKNOLJ-VIFPVBQESA-N 1 1 172.316 1.715 10 0 ADAEMO Cc1cnc(N[C@@H]2CCC[N@H+](C)C2)o1 75122428 572814312 /nfs/dbraw/zinc/81/43/12/572814312.db2.gz WYWVPROUYNDILY-SECBINFHSA-N 1 1 195.266 1.489 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)[C@@H]2CC[C@H](O)C[C@@H]2C1 75124321 572814345 /nfs/dbraw/zinc/81/43/45/572814345.db2.gz YUQADJRURBPRCH-NOOOWODRSA-N 1 1 197.322 1.878 10 0 ADAEMO C[C@H]1[C@H]2CC(C)(C)[NH2+][C@H]2C[C@@H](C)N1C 75123406 572814381 /nfs/dbraw/zinc/81/43/81/572814381.db2.gz AMBPVNFHIWYARM-YTWAJWBKSA-N 1 1 196.338 1.856 10 0 ADAEMO C[C@H]([NH3+])C(=O)Oc1ccccc1Cl 49812070 572814732 /nfs/dbraw/zinc/81/47/32/572814732.db2.gz DPZLFWXXOIOMMB-LURJTMIESA-N 1 1 199.637 1.593 10 0 ADAEMO CC(C)C[N@@H+](C(C)C)[C@H]1C[C@@H]1CO 308134212 572814744 /nfs/dbraw/zinc/81/47/44/572814744.db2.gz DDERHYWSOKZUCJ-MNOVXSKESA-N 1 1 185.311 1.734 10 0 ADAEMO C[N@H+]1CCC[C@@H](Nc2cnco2)CC1 75122418 572814802 /nfs/dbraw/zinc/81/48/02/572814802.db2.gz BQYNONKNXIGEGI-SECBINFHSA-N 1 1 195.266 1.571 10 0 ADAEMO C[C@H]1[C@H]2CC(C)(C)[NH2+][C@@H]2C[C@@H](C)N1C 75123390 572814872 /nfs/dbraw/zinc/81/48/72/572814872.db2.gz AMBPVNFHIWYARM-LMLFDSFASA-N 1 1 196.338 1.856 10 0 ADAEMO Cc1cccc(C)c1OC(=O)[C@H](C)[NH3+] 49807136 572814938 /nfs/dbraw/zinc/81/49/38/572814938.db2.gz OJLZWFVZMJGOGT-VIFPVBQESA-N 1 1 193.246 1.556 10 0 ADAEMO Cc1cccc(OC(=O)[C@@H](C)[NH3+])c1C 49807144 572814963 /nfs/dbraw/zinc/81/49/63/572814963.db2.gz MJKMZUMWCAMZSZ-SECBINFHSA-N 1 1 193.246 1.556 10 0 ADAEMO C[C@@H]1[C@@H]2[C@@H](CCN1C)[NH2+]CCC2(C)C 75123471 572814768 /nfs/dbraw/zinc/81/47/68/572814768.db2.gz PZHVDHBZTIEFJA-GMTAPVOTSA-N 1 1 196.338 1.715 10 0 ADAEMO O=C1C[NH2+]CC[C@H]1Cc1cccs1 75122657 572815049 /nfs/dbraw/zinc/81/50/49/572815049.db2.gz RCVRNPSUQWMLLB-QMMMGPOBSA-N 1 1 195.287 1.469 10 0 ADAEMO Cc1cc(C)c(OC(=O)C[NH3+])c(C)c1 49807155 572815072 /nfs/dbraw/zinc/81/50/72/572815072.db2.gz MHHOHZAUQHLDTK-UHFFFAOYSA-N 1 1 193.246 1.476 10 0 ADAEMO Cc1ccc(C)c(OC(=O)C[NH3+])c1C 49807153 572815085 /nfs/dbraw/zinc/81/50/85/572815085.db2.gz XFBIDGXRSPCHBQ-UHFFFAOYSA-N 1 1 193.246 1.476 10 0 ADAEMO C[N@H+]1CCC[C@@H](Nc2ncco2)CC1 75122439 572815086 /nfs/dbraw/zinc/81/50/86/572815086.db2.gz GPKVUWPISPMJQT-SECBINFHSA-N 1 1 195.266 1.571 10 0 ADAEMO CN1CCCC[C@H]2[NH2+]CCC(C)(C)[C@H]21 75123442 572815158 /nfs/dbraw/zinc/81/51/58/572815158.db2.gz IDDDNHQQPAZODA-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO C[N@H+]1CCC(C)(C)[C@H]2CC(=O)C[C@@H]2C1 75122742 572815174 /nfs/dbraw/zinc/81/51/74/572815174.db2.gz UVFWZTRSFQTKIU-KOLCDFICSA-N 1 1 195.306 1.943 10 0 ADAEMO Cc1cc(C)cc(OC(=O)[C@@H](C)[NH3+])c1 49807147 572815182 /nfs/dbraw/zinc/81/51/82/572815182.db2.gz FORCZBZVMVREAZ-SECBINFHSA-N 1 1 193.246 1.556 10 0 ADAEMO C[NH+](C)Cc1cc(F)cc(C=O)c1O 75123665 572815194 /nfs/dbraw/zinc/81/51/94/572815194.db2.gz NPUGYSDPUILXEO-UHFFFAOYSA-N 1 1 197.209 1.405 10 0 ADAEMO CCOC(=O)[C@@](C)([NH2+]C)[C@H](C)CC 308134579 572815210 /nfs/dbraw/zinc/81/52/10/572815210.db2.gz HLPXKNHRQFJTGK-SCZZXKLOSA-N 1 1 187.283 1.574 10 0 ADAEMO CC(C)OC[C@H](CO)[N@@H+](C)C(C)C 308134422 572815257 /nfs/dbraw/zinc/81/52/57/572815257.db2.gz DHGSZPCBRITNII-JTQLQIEISA-N 1 1 189.299 1.113 10 0 ADAEMO C[N@H+]1CCCC[C@H](Nc2cnco2)C1 75122413 572815264 /nfs/dbraw/zinc/81/52/64/572815264.db2.gz MVMOOJSFLIGACS-VIFPVBQESA-N 1 1 195.266 1.571 10 0 ADAEMO CN1CCCC[C@H]2[NH2+]CCC(C)(C)[C@@H]21 75123450 572815278 /nfs/dbraw/zinc/81/52/78/572815278.db2.gz IDDDNHQQPAZODA-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1[C@@H]2CC(C)(C)[NH2+][C@H]2C[C@@H](C)N1C 75123387 572815331 /nfs/dbraw/zinc/81/53/31/572815331.db2.gz AMBPVNFHIWYARM-RCWTZXSCSA-N 1 1 196.338 1.856 10 0 ADAEMO C[N@H+]1CCCC[C@H](Nc2ccon2)C1 75122423 572815342 /nfs/dbraw/zinc/81/53/42/572815342.db2.gz NKGFYQWCPYAEKN-VIFPVBQESA-N 1 1 195.266 1.571 10 0 ADAEMO CCOC(=O)[C@](C)([NH2+]C)[C@@H](C)CC 308134580 572815420 /nfs/dbraw/zinc/81/54/20/572815420.db2.gz HLPXKNHRQFJTGK-WCBMZHEXSA-N 1 1 187.283 1.574 10 0 ADAEMO O=C1C[NH2+]CC[C@@H]1Cc1cccs1 75122660 572815587 /nfs/dbraw/zinc/81/55/87/572815587.db2.gz RCVRNPSUQWMLLB-MRVPVSSYSA-N 1 1 195.287 1.469 10 0 ADAEMO CCOC(=O)[C@@](C)([NH2+]C)[C@@H](C)CC 308134581 572815589 /nfs/dbraw/zinc/81/55/89/572815589.db2.gz HLPXKNHRQFJTGK-WPRPVWTQSA-N 1 1 187.283 1.574 10 0 ADAEMO CC(C)C[N@@H+](C(C)C)[C@H]1C[C@H]1CO 308134214 572815596 /nfs/dbraw/zinc/81/55/96/572815596.db2.gz DDERHYWSOKZUCJ-QWRGUYRKSA-N 1 1 185.311 1.734 10 0 ADAEMO Cc1cc(N[C@@H]2CCC[N@H+](C)C2)no1 75122420 572815609 /nfs/dbraw/zinc/81/56/09/572815609.db2.gz FLUVVJINUWYUNO-SECBINFHSA-N 1 1 195.266 1.489 10 0 ADAEMO C[N@H+]1CCC[C@H](Nc2cnco2)CC1 75122417 572815707 /nfs/dbraw/zinc/81/57/07/572815707.db2.gz BQYNONKNXIGEGI-VIFPVBQESA-N 1 1 195.266 1.571 10 0 ADAEMO CC(C)C[C@@H](CO)[N@@H+](C)CCF 307946572 572815785 /nfs/dbraw/zinc/81/57/85/572815785.db2.gz JWSRIOAKJZBYSM-VIFPVBQESA-N 1 1 177.263 1.295 10 0 ADAEMO COC1(CC[NH2+]CC(F)F)CCC1 234601032 572815801 /nfs/dbraw/zinc/81/58/01/572815801.db2.gz ZFOUMKWKTJAUOH-UHFFFAOYSA-N 1 1 193.237 1.800 10 0 ADAEMO CN(C[C@H]([NH3+])CC(F)F)C1CCC1 308134098 572815927 /nfs/dbraw/zinc/81/59/27/572815927.db2.gz HAHWREWMBPLPMH-SSDOTTSWSA-N 1 1 192.253 1.453 10 0 ADAEMO C[N@H+](C[C@H](N)CC(F)F)C1CCC1 308134098 572815930 /nfs/dbraw/zinc/81/59/30/572815930.db2.gz HAHWREWMBPLPMH-SSDOTTSWSA-N 1 1 192.253 1.453 10 0 ADAEMO C[N@@H+](C[C@H](N)CC(F)F)C1CCC1 308134098 572815932 /nfs/dbraw/zinc/81/59/32/572815932.db2.gz HAHWREWMBPLPMH-SSDOTTSWSA-N 1 1 192.253 1.453 10 0 ADAEMO CC(C)C[N@@H+](C(C)C)[C@@H]1C[C@@H]1CO 308134210 572815982 /nfs/dbraw/zinc/81/59/82/572815982.db2.gz DDERHYWSOKZUCJ-GHMZBOCLSA-N 1 1 185.311 1.734 10 0 ADAEMO CN1CCCC[C@@H]2[NH2+]CCC(C)(C)[C@H]21 75123438 572816005 /nfs/dbraw/zinc/81/60/05/572816005.db2.gz IDDDNHQQPAZODA-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)OC[C@@H](CO)[N@@H+](C)C(C)C 308134423 572816078 /nfs/dbraw/zinc/81/60/78/572816078.db2.gz DHGSZPCBRITNII-SNVBAGLBSA-N 1 1 189.299 1.113 10 0 ADAEMO C[N@H+]1CCCC[C@@H](Nc2cnco2)C1 75122414 572816149 /nfs/dbraw/zinc/81/61/49/572816149.db2.gz MVMOOJSFLIGACS-SECBINFHSA-N 1 1 195.266 1.571 10 0 ADAEMO CC(C)C[N@@H+](C(C)C)[C@@H]1C[C@H]1CO 308134216 572816202 /nfs/dbraw/zinc/81/62/02/572816202.db2.gz DDERHYWSOKZUCJ-WDEREUQCSA-N 1 1 185.311 1.734 10 0 ADAEMO Cc1cnc(N[C@H]2CC[N@H+](C)C2)s1 75124199 572816210 /nfs/dbraw/zinc/81/62/10/572816210.db2.gz OHRPRMFKZHVEHA-QMMMGPOBSA-N 1 1 197.307 1.568 10 0 ADAEMO CN(C[C@@H]([NH3+])CC(F)F)C1CCC1 308134099 572816225 /nfs/dbraw/zinc/81/62/25/572816225.db2.gz HAHWREWMBPLPMH-ZETCQYMHSA-N 1 1 192.253 1.453 10 0 ADAEMO C[N@H+](C[C@@H](N)CC(F)F)C1CCC1 308134099 572816228 /nfs/dbraw/zinc/81/62/28/572816228.db2.gz HAHWREWMBPLPMH-ZETCQYMHSA-N 1 1 192.253 1.453 10 0 ADAEMO C[N@@H+](C[C@@H](N)CC(F)F)C1CCC1 308134099 572816230 /nfs/dbraw/zinc/81/62/30/572816230.db2.gz HAHWREWMBPLPMH-ZETCQYMHSA-N 1 1 192.253 1.453 10 0 ADAEMO CC(C)NCC[NH2+][C@H]1CCC1(C)C 308134898 572816360 /nfs/dbraw/zinc/81/63/60/572816360.db2.gz HNAGJOJPRXZAIS-JTQLQIEISA-N 1 1 184.327 1.763 10 0 ADAEMO C[NH+](C)C[C@H](N)Cc1cccc(F)c1 85798206 572816397 /nfs/dbraw/zinc/81/63/97/572816397.db2.gz IEVUWXXECSWRGQ-LLVKDONJSA-N 1 1 196.269 1.257 10 0 ADAEMO C[N@H+]1CCCC[C@@H](Nc2ccon2)C1 75122427 572816454 /nfs/dbraw/zinc/81/64/54/572816454.db2.gz NKGFYQWCPYAEKN-SECBINFHSA-N 1 1 195.266 1.571 10 0 ADAEMO C[C@H]1[C@@H]2CC(C)(C)[NH2+][C@@H]2C[C@@H](C)N1C 75123383 572816556 /nfs/dbraw/zinc/81/65/56/572816556.db2.gz AMBPVNFHIWYARM-VPOLOUISSA-N 1 1 196.338 1.856 10 0 ADAEMO C[C@H](F)CC[N@@H+](CCO)C1CC1 307945922 572816658 /nfs/dbraw/zinc/81/66/58/572816658.db2.gz JAEBRMLFSPRFIM-QMMMGPOBSA-N 1 1 175.247 1.191 10 0 ADAEMO Cc1cc(N[C@H]2CCC[N@H+](C)C2)no1 75122421 572816701 /nfs/dbraw/zinc/81/67/01/572816701.db2.gz FLUVVJINUWYUNO-VIFPVBQESA-N 1 1 195.266 1.489 10 0 ADAEMO CCOC(=O)[C@](C)([NH2+]C)[C@H](C)CC 308134578 572816755 /nfs/dbraw/zinc/81/67/55/572816755.db2.gz HLPXKNHRQFJTGK-PSASIEDQSA-N 1 1 187.283 1.574 10 0 ADAEMO CN1CCCC[C@@H]2[NH2+]CCC(C)(C)[C@@H]21 75123446 572816838 /nfs/dbraw/zinc/81/68/38/572816838.db2.gz IDDDNHQQPAZODA-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[N@H+]1CCC(C)(C)[C@H]2CC(=O)C[C@H]2C1 75122743 572816873 /nfs/dbraw/zinc/81/68/73/572816873.db2.gz UVFWZTRSFQTKIU-ONGXEEELSA-N 1 1 195.306 1.943 10 0 ADAEMO CC(C)C[C@H](CO)[N@@H+](C)CCF 307946571 572816946 /nfs/dbraw/zinc/81/69/46/572816946.db2.gz JWSRIOAKJZBYSM-SECBINFHSA-N 1 1 177.263 1.295 10 0 ADAEMO CC(C)NCC[NH2+][C@@H]1CCC1(C)C 308134899 572816948 /nfs/dbraw/zinc/81/69/48/572816948.db2.gz HNAGJOJPRXZAIS-SNVBAGLBSA-N 1 1 184.327 1.763 10 0 ADAEMO C[NH+](C)C[C@@H](N)Cc1cccc(F)c1 85798209 572817242 /nfs/dbraw/zinc/81/72/42/572817242.db2.gz IEVUWXXECSWRGQ-NSHDSACASA-N 1 1 196.269 1.257 10 0 ADAEMO COC(=O)[C@H](C)[NH2+]CCCCCF 308135944 572817752 /nfs/dbraw/zinc/81/77/52/572817752.db2.gz IERJOZUVYQEQEE-QMMMGPOBSA-N 1 1 191.246 1.277 10 0 ADAEMO CSCCCC[NH2+][C@H](C)[C@H](C)N 308135370 572817837 /nfs/dbraw/zinc/81/78/37/572817837.db2.gz ZNQHKBGYPKGYLG-DTWKUNHWSA-N 1 1 190.356 1.455 10 0 ADAEMO CC(C)[N@@H+](C)C[C@H](C)NCCF 308135405 572817904 /nfs/dbraw/zinc/81/79/04/572817904.db2.gz ZQGCOCWOISPXJX-VIFPVBQESA-N 1 1 176.279 1.274 10 0 ADAEMO CC(C)N(C)C[C@H](C)[NH2+]CCF 308135405 572817905 /nfs/dbraw/zinc/81/79/05/572817905.db2.gz ZQGCOCWOISPXJX-VIFPVBQESA-N 1 1 176.279 1.274 10 0 ADAEMO C[C@@H](c1ccsc1)[N@@H+](C)CCO 307947062 572817998 /nfs/dbraw/zinc/81/79/98/572817998.db2.gz KPZMTCLFTMMERF-QMMMGPOBSA-N 1 1 185.292 1.733 10 0 ADAEMO C[C@H](c1ccsc1)[N@@H+](C)CCO 307947061 572818191 /nfs/dbraw/zinc/81/81/91/572818191.db2.gz KPZMTCLFTMMERF-MRVPVSSYSA-N 1 1 185.292 1.733 10 0 ADAEMO CC(C)[N@@H+](C)C[C@@H](C)NCCF 308135404 572818209 /nfs/dbraw/zinc/81/82/09/572818209.db2.gz ZQGCOCWOISPXJX-SECBINFHSA-N 1 1 176.279 1.274 10 0 ADAEMO CC(C)N(C)C[C@@H](C)[NH2+]CCF 308135404 572818213 /nfs/dbraw/zinc/81/82/13/572818213.db2.gz ZQGCOCWOISPXJX-SECBINFHSA-N 1 1 176.279 1.274 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)CC1(C)CCCC1 308135698 572818432 /nfs/dbraw/zinc/81/84/32/572818432.db2.gz NYKLWEUNHKEIFR-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO NC[C@@H]1CCC[N@H+]1CC[C@@H]1C=CCC1 238559276 572818467 /nfs/dbraw/zinc/81/84/67/572818467.db2.gz NWVKNBCVQWGLRR-NEPJUHHUSA-N 1 1 194.322 1.766 10 0 ADAEMO C[NH+](C)C[C@H](N)Cc1ccsc1 85798218 572818606 /nfs/dbraw/zinc/81/86/06/572818606.db2.gz XPWFPYGSSOKVAF-SECBINFHSA-N 1 1 184.308 1.180 10 0 ADAEMO COc1ccc2[nH]nc(C[NH3+])c2c1C 75119490 572818608 /nfs/dbraw/zinc/81/86/08/572818608.db2.gz BMWLAUOIYXDLNB-UHFFFAOYSA-N 1 1 191.234 1.339 10 0 ADAEMO CCC(=O)C[N@H+](CCO)[C@@H](C)CC 308135252 572818748 /nfs/dbraw/zinc/81/87/48/572818748.db2.gz HSZWZKNYAMKICL-VIFPVBQESA-N 1 1 187.283 1.058 10 0 ADAEMO [NH3+]Cc1n[nH]nc1-c1ccc(F)cc1 75120115 572818827 /nfs/dbraw/zinc/81/88/27/572818827.db2.gz RMPUDNOMOLXHFL-UHFFFAOYSA-N 1 1 192.197 1.070 10 0 ADAEMO [NH3+]Cc1n[nH]nc1-c1ccccc1F 75120118 572818909 /nfs/dbraw/zinc/81/89/09/572818909.db2.gz WIIIGNHVMXZPMF-UHFFFAOYSA-N 1 1 192.197 1.070 10 0 ADAEMO C[C@H]1C[N@H+](CCCCF)[C@@H](C)CN1 308135318 572818958 /nfs/dbraw/zinc/81/89/58/572818958.db2.gz HWHKZBVPQXIGOR-UWVGGRQHSA-N 1 1 188.290 1.418 10 0 ADAEMO C[C@H]1C[N@@H+](CCCCF)[C@@H](C)CN1 308135318 572818962 /nfs/dbraw/zinc/81/89/62/572818962.db2.gz HWHKZBVPQXIGOR-UWVGGRQHSA-N 1 1 188.290 1.418 10 0 ADAEMO CC(C)[C@H]1CNc2[nH+]cccc2N1C 75119907 572818988 /nfs/dbraw/zinc/81/89/88/572818988.db2.gz IHKCWAKNXMANPY-SNVBAGLBSA-N 1 1 191.278 1.968 10 0 ADAEMO CCC(=O)C[N@H+](CCO)[C@H](C)CC 308135250 572819088 /nfs/dbraw/zinc/81/90/88/572819088.db2.gz HSZWZKNYAMKICL-SECBINFHSA-N 1 1 187.283 1.058 10 0 ADAEMO NC[C@@H]1CCC[N@H+]1CCCCF 238559213 572819247 /nfs/dbraw/zinc/81/92/47/572819247.db2.gz NVWFSNPGPCUSED-VIFPVBQESA-N 1 1 174.263 1.159 10 0 ADAEMO [NH3+]C[C@@H]1CCCN1CCCCF 238559213 572819260 /nfs/dbraw/zinc/81/92/60/572819260.db2.gz NVWFSNPGPCUSED-VIFPVBQESA-N 1 1 174.263 1.159 10 0 ADAEMO CCOC(C)(C)C[NH2+]CC(C)(C)N 308135142 572819325 /nfs/dbraw/zinc/81/93/25/572819325.db2.gz NKZQJNCKEQFFSM-UHFFFAOYSA-N 1 1 188.315 1.128 10 0 ADAEMO CCC1(CC)CC[N@H+]([C@H](C)CO)C1 308134959 572819381 /nfs/dbraw/zinc/81/93/81/572819381.db2.gz HPLZPDSWNAADKK-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC1(CC)CC[N@H+]([C@@H](C)CO)C1 308134958 572819616 /nfs/dbraw/zinc/81/96/16/572819616.db2.gz HPLZPDSWNAADKK-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO CSCCCC[NH2+][C@@H](C)[C@H](C)N 308135371 572819629 /nfs/dbraw/zinc/81/96/29/572819629.db2.gz ZNQHKBGYPKGYLG-IUCAKERBSA-N 1 1 190.356 1.455 10 0 ADAEMO C[C@@H]1C[N@H+](CCCCF)[C@H](C)CN1 308135317 572819811 /nfs/dbraw/zinc/81/98/11/572819811.db2.gz HWHKZBVPQXIGOR-NXEZZACHSA-N 1 1 188.290 1.418 10 0 ADAEMO CCC[N@@H+](C[C@@H](C)O)C(C)(C)C 307947078 572819812 /nfs/dbraw/zinc/81/98/12/572819812.db2.gz KRCQUGLJVCCEPN-SECBINFHSA-N 1 1 173.300 1.878 10 0 ADAEMO C[C@@H]1C[N@@H+](CCCCF)[C@H](C)CN1 308135317 572819814 /nfs/dbraw/zinc/81/98/14/572819814.db2.gz HWHKZBVPQXIGOR-NXEZZACHSA-N 1 1 188.290 1.418 10 0 ADAEMO CC(C)[C@@H]1CNc2[nH+]cccc2N1C 75119904 572820042 /nfs/dbraw/zinc/82/00/42/572820042.db2.gz IHKCWAKNXMANPY-JTQLQIEISA-N 1 1 191.278 1.968 10 0 ADAEMO CSCCCC[NH2+][C@@H](C)[C@@H](C)N 308135369 572820066 /nfs/dbraw/zinc/82/00/66/572820066.db2.gz ZNQHKBGYPKGYLG-BDAKNGLRSA-N 1 1 190.356 1.455 10 0 ADAEMO C[C@H]1C[N@H+](CCCCF)[C@H](C)CN1 308135319 572820105 /nfs/dbraw/zinc/82/01/05/572820105.db2.gz HWHKZBVPQXIGOR-VHSXEESVSA-N 1 1 188.290 1.418 10 0 ADAEMO C[C@H]1C[N@@H+](CCCCF)[C@H](C)CN1 308135319 572820112 /nfs/dbraw/zinc/82/01/12/572820112.db2.gz HWHKZBVPQXIGOR-VHSXEESVSA-N 1 1 188.290 1.418 10 0 ADAEMO CCC1(C[N@@H+](C)C2CC2)COC1 307947081 572820329 /nfs/dbraw/zinc/82/03/29/572820329.db2.gz KREVGNIWQUVMPE-UHFFFAOYSA-N 1 1 169.268 1.507 10 0 ADAEMO COC1CC([N@@H+]2CCC(=O)C[C@H]2C)C1 234607002 572820559 /nfs/dbraw/zinc/82/05/59/572820559.db2.gz AWVKMCLNZBAIBU-FKTRJACZSA-N 1 1 197.278 1.217 10 0 ADAEMO COC1CC([N@H+]2CCC(=O)C[C@H]2C)C1 234607002 572820561 /nfs/dbraw/zinc/82/05/61/572820561.db2.gz AWVKMCLNZBAIBU-FKTRJACZSA-N 1 1 197.278 1.217 10 0 ADAEMO CCC[N@@H+](CC)CCC1(O)CC1 307947058 572820776 /nfs/dbraw/zinc/82/07/76/572820776.db2.gz KPULTFFMQQKGLQ-UHFFFAOYSA-N 1 1 171.284 1.633 10 0 ADAEMO CC[C@@H](C)c1cc(C[C@H](C)[NH3+])n[nH]1 308144297 572821730 /nfs/dbraw/zinc/82/17/30/572821730.db2.gz MYNKMKXCQBXTSV-SFYZADRCSA-N 1 1 181.283 1.813 10 0 ADAEMO CCCC[C@H](C)[N@H+]1CC[C@@H](O)C1 307948464 572823906 /nfs/dbraw/zinc/82/39/06/572823906.db2.gz LVZMVVPVXRYBOP-VHSXEESVSA-N 1 1 171.284 1.632 10 0 ADAEMO NC[C@@H]1CCCC[N@@H+]1CCCCF 308144366 572821121 /nfs/dbraw/zinc/82/11/21/572821121.db2.gz NBAGJANWTZTQNP-JTQLQIEISA-N 1 1 188.290 1.549 10 0 ADAEMO CC[N@@H+](CCC(C)=O)C1CCC1 307948864 572821125 /nfs/dbraw/zinc/82/11/25/572821125.db2.gz MJOPEZJFTQAHRU-UHFFFAOYSA-N 1 1 169.268 1.840 10 0 ADAEMO NC[C@@H]1CCCC[N@H+]1CCCCF 308144366 572821126 /nfs/dbraw/zinc/82/11/26/572821126.db2.gz NBAGJANWTZTQNP-JTQLQIEISA-N 1 1 188.290 1.549 10 0 ADAEMO CCCC[C@@H](C)[N@H+]1CC[C@@H](O)C1 307948462 572821208 /nfs/dbraw/zinc/82/12/08/572821208.db2.gz LVZMVVPVXRYBOP-NXEZZACHSA-N 1 1 171.284 1.632 10 0 ADAEMO Cc1cc(C[C@H]2CCCC[NH2+]C2)n[nH]1 75121197 572821353 /nfs/dbraw/zinc/82/13/53/572821353.db2.gz KQMJXXZBDBVFTC-SNVBAGLBSA-N 1 1 193.294 1.650 10 0 ADAEMO CCCC[N@@H+]1CCC[C@](C)(CN)C1 688703088 572821475 /nfs/dbraw/zinc/82/14/75/572821475.db2.gz IQSQQPKQAKFTKL-LLVKDONJSA-N 1 1 184.327 1.847 10 0 ADAEMO CCCC[N@H+]1CCC[C@](C)(CN)C1 688703088 572821477 /nfs/dbraw/zinc/82/14/77/572821477.db2.gz IQSQQPKQAKFTKL-LLVKDONJSA-N 1 1 184.327 1.847 10 0 ADAEMO C[C@@H]1C[N@@H+](C)Cc2c1cn(C)c2C=O 75120445 572823613 /nfs/dbraw/zinc/82/36/13/572823613.db2.gz ODPGZCHPUXBHMC-MRVPVSSYSA-N 1 1 192.262 1.387 10 0 ADAEMO Cc1[nH+]ccn1CCNn1cccc1 85830791 572821499 /nfs/dbraw/zinc/82/14/99/572821499.db2.gz RPLSEABJUMTRCH-UHFFFAOYSA-N 1 1 190.250 1.237 10 0 ADAEMO Cc1cc(C[C@@H]2CCC[NH2+]CC2)[nH]n1 75121199 572821527 /nfs/dbraw/zinc/82/15/27/572821527.db2.gz IFTFCLULOSITCK-SNVBAGLBSA-N 1 1 193.294 1.650 10 0 ADAEMO COC1CC([N@@H+]2CCC(=O)C[C@@H]2C)C1 234606969 572821564 /nfs/dbraw/zinc/82/15/64/572821564.db2.gz AWVKMCLNZBAIBU-SILCLGDVSA-N 1 1 197.278 1.217 10 0 ADAEMO COC1CC([N@H+]2CCC(=O)C[C@@H]2C)C1 234606969 572821565 /nfs/dbraw/zinc/82/15/65/572821565.db2.gz AWVKMCLNZBAIBU-SILCLGDVSA-N 1 1 197.278 1.217 10 0 ADAEMO NC[C@H]1CCCC[N@@H+]1CCCCF 308144367 572821637 /nfs/dbraw/zinc/82/16/37/572821637.db2.gz NBAGJANWTZTQNP-SNVBAGLBSA-N 1 1 188.290 1.549 10 0 ADAEMO NC[C@H]1CCCC[N@H+]1CCCCF 308144367 572821639 /nfs/dbraw/zinc/82/16/39/572821639.db2.gz NBAGJANWTZTQNP-SNVBAGLBSA-N 1 1 188.290 1.549 10 0 ADAEMO Cn1cc(N)cc1[C@@H]1CCC[N@@H+](C)C1 75121255 572821655 /nfs/dbraw/zinc/82/16/55/572821655.db2.gz RCVPKYGKKAPTEN-SECBINFHSA-N 1 1 193.294 1.417 10 0 ADAEMO CC[C@H](C)[N@@H+](CCN)C[C@H](C)OC 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/nfs/dbraw/zinc/84/19/04/572841904.db2.gz WJWSSRBFPYXKRO-UHFFFAOYSA-N 1 1 180.251 1.879 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)CCC1(O)CC1 307957608 572840559 /nfs/dbraw/zinc/84/05/59/572840559.db2.gz SJACDUKBXQZSQE-SECBINFHSA-N 1 1 171.284 1.632 10 0 ADAEMO CC[C@H](c1cc[nH]c1)[NH+]1CCNCC1 71506625 572840568 /nfs/dbraw/zinc/84/05/68/572840568.db2.gz BVYVJXNSHZDGAU-LLVKDONJSA-N 1 1 193.294 1.371 10 0 ADAEMO C[N@H+]1CCN[C@H](c2ccccn2)CC1 71505968 572840628 /nfs/dbraw/zinc/84/06/28/572840628.db2.gz FUKYFHLZXWLRPB-NSHDSACASA-N 1 1 191.278 1.048 10 0 ADAEMO CCN(C)c1c(C[NH3+])noc1C(C)C 75397736 572840606 /nfs/dbraw/zinc/84/06/06/572840606.db2.gz VGELRXAAVCCIDV-UHFFFAOYSA-N 1 1 197.282 1.713 10 0 ADAEMO CN1CC[NH2+][C@H](c2ccccn2)CC1 71505968 572840631 /nfs/dbraw/zinc/84/06/31/572840631.db2.gz FUKYFHLZXWLRPB-NSHDSACASA-N 1 1 191.278 1.048 10 0 ADAEMO C[N@@H+]1CCN[C@@H](c2cccs2)CC1 71507411 572840681 /nfs/dbraw/zinc/84/06/81/572840681.db2.gz NPXPOZGJIJHHNU-SECBINFHSA-N 1 1 196.319 1.714 10 0 ADAEMO C[N@H+]1CCN[C@@H](c2cccs2)CC1 71507411 572840684 /nfs/dbraw/zinc/84/06/84/572840684.db2.gz NPXPOZGJIJHHNU-SECBINFHSA-N 1 1 196.319 1.714 10 0 ADAEMO Cc1nc(C[NH3+])c(C(F)(F)F)[nH]1 75407122 572840692 /nfs/dbraw/zinc/84/06/92/572840692.db2.gz MEIVYEYVKMJXAD-UHFFFAOYSA-N 1 1 179.145 1.196 10 0 ADAEMO C[N@H+]1CCN[C@@H](c2cccnc2)CC1 71505975 572840745 /nfs/dbraw/zinc/84/07/45/572840745.db2.gz IUANZOSNKJNBGP-LLVKDONJSA-N 1 1 191.278 1.048 10 0 ADAEMO CN1CC[NH2+][C@@H](c2cccnc2)CC1 71505975 572840750 /nfs/dbraw/zinc/84/07/50/572840750.db2.gz IUANZOSNKJNBGP-LLVKDONJSA-N 1 1 191.278 1.048 10 0 ADAEMO CC[C@H](C)[C@H](CN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008688 572840753 /nfs/dbraw/zinc/84/07/53/572840753.db2.gz MZWZGOLJXQEXHF-YFKTTZPYSA-N 1 1 198.354 1.948 10 0 ADAEMO CCC[C@H](N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86009442 572840885 /nfs/dbraw/zinc/84/08/85/572840885.db2.gz YCEXAEHJYQEYPE-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO C/C=C/C[N@@H+](C)C[C@H]1CCCO1 307957296 572840909 /nfs/dbraw/zinc/84/09/09/572840909.db2.gz SAVHGCQWOBPHMM-HMDXOVGESA-N 1 1 169.268 1.673 10 0 ADAEMO CCCCC[N@@H+]1CCC=C[C@H]1CN 75414282 572840943 /nfs/dbraw/zinc/84/09/43/572840943.db2.gz BMOMJGBJDQQYSI-NSHDSACASA-N 1 1 182.311 1.766 10 0 ADAEMO CCCCC[N@H+]1CCC=C[C@H]1CN 75414282 572840947 /nfs/dbraw/zinc/84/09/47/572840947.db2.gz BMOMJGBJDQQYSI-NSHDSACASA-N 1 1 182.311 1.766 10 0 ADAEMO c1coc(C[NH2+]CCc2ccn[nH]2)c1 85939271 572841019 /nfs/dbraw/zinc/84/10/19/572841019.db2.gz NNVYGHKMKJVHRL-UHFFFAOYSA-N 1 1 191.234 1.335 10 0 ADAEMO CCc1onc(C[NH3+])c1N1CCCC1 75397720 572841052 /nfs/dbraw/zinc/84/10/52/572841052.db2.gz RETXRJVTQWTGLK-UHFFFAOYSA-N 1 1 195.266 1.296 10 0 ADAEMO CC(C)C[C@@H](CN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008784 572841128 /nfs/dbraw/zinc/84/11/28/572841128.db2.gz IYQJAYCEJFQAOR-TUAOUCFPSA-N 1 1 198.354 1.948 10 0 ADAEMO CCCCC[N@@H+]1CCC=C[C@@H]1CN 75414280 572841149 /nfs/dbraw/zinc/84/11/49/572841149.db2.gz BMOMJGBJDQQYSI-LLVKDONJSA-N 1 1 182.311 1.766 10 0 ADAEMO CCCCC[N@H+]1CCC=C[C@@H]1CN 75414280 572841153 /nfs/dbraw/zinc/84/11/53/572841153.db2.gz BMOMJGBJDQQYSI-LLVKDONJSA-N 1 1 182.311 1.766 10 0 ADAEMO c1nc(C[NH2+]C2CC2)c(CC2CC2)o1 85941412 572841240 /nfs/dbraw/zinc/84/12/40/572841240.db2.gz ZIZAPVIFBRTMFS-UHFFFAOYSA-N 1 1 192.262 1.879 10 0 ADAEMO CC(C)C[NH2+]CCc1ccn[nH]1 85939252 572841348 /nfs/dbraw/zinc/84/13/48/572841348.db2.gz JUMJTKXCCAECSP-UHFFFAOYSA-N 1 1 167.256 1.198 10 0 ADAEMO C[N@@H+]1CCN[C@H](c2ccncc2)CC1 71505984 572841363 /nfs/dbraw/zinc/84/13/63/572841363.db2.gz XSHDOMKUVVRKTM-NSHDSACASA-N 1 1 191.278 1.048 10 0 ADAEMO C[N@H+]1CCN[C@H](c2ccncc2)CC1 71505984 572841367 /nfs/dbraw/zinc/84/13/67/572841367.db2.gz XSHDOMKUVVRKTM-NSHDSACASA-N 1 1 191.278 1.048 10 0 ADAEMO CC[C@H](C)[N@@H+](C)CCC1(O)CC1 307957610 572841404 /nfs/dbraw/zinc/84/14/04/572841404.db2.gz SJACDUKBXQZSQE-VIFPVBQESA-N 1 1 171.284 1.632 10 0 ADAEMO C[N@H+]1CCN[C@H](c2cccnc2)CC1 71505976 572841445 /nfs/dbraw/zinc/84/14/45/572841445.db2.gz IUANZOSNKJNBGP-NSHDSACASA-N 1 1 191.278 1.048 10 0 ADAEMO CN1CC[NH2+][C@H](c2cccnc2)CC1 71505976 572841447 /nfs/dbraw/zinc/84/14/47/572841447.db2.gz IUANZOSNKJNBGP-NSHDSACASA-N 1 1 191.278 1.048 10 0 ADAEMO CC[C@H](CN1C[C@@H](C)[C@@H](C)C1)[NH2+]C 86009117 572841604 /nfs/dbraw/zinc/84/16/04/572841604.db2.gz RFLIIHFCMZJJBT-OUAUKWLOSA-N 1 1 184.327 1.572 10 0 ADAEMO C[N@H+]1CCN[C@@H](c2ccccn2)CC1 71505967 572841684 /nfs/dbraw/zinc/84/16/84/572841684.db2.gz FUKYFHLZXWLRPB-LLVKDONJSA-N 1 1 191.278 1.048 10 0 ADAEMO CN1CC[NH2+][C@@H](c2ccccn2)CC1 71505967 572841686 /nfs/dbraw/zinc/84/16/86/572841686.db2.gz FUKYFHLZXWLRPB-LLVKDONJSA-N 1 1 191.278 1.048 10 0 ADAEMO CCC[C@H](CN1C[C@@H](C)[C@@H](C)C1)[NH2+]C 86009208 572841763 /nfs/dbraw/zinc/84/17/63/572841763.db2.gz CEZGZONEIIBDMU-GRYCIOLGSA-N 1 1 198.354 1.962 10 0 ADAEMO CC[C@@H](C)[NH2+]C[C@@H](N)[C@H](C)CC 307958477 572841724 /nfs/dbraw/zinc/84/17/24/572841724.db2.gz ICGAHFBZWGIGFO-OPRDCNLKSA-N 1 1 172.316 1.748 10 0 ADAEMO C[N@@H+]1CCN[C@H](c2cccs2)CC1 71507412 572841869 /nfs/dbraw/zinc/84/18/69/572841869.db2.gz NPXPOZGJIJHHNU-VIFPVBQESA-N 1 1 196.319 1.714 10 0 ADAEMO C[N@H+]1CCN[C@H](c2cccs2)CC1 71507412 572841873 /nfs/dbraw/zinc/84/18/73/572841873.db2.gz NPXPOZGJIJHHNU-VIFPVBQESA-N 1 1 196.319 1.714 10 0 ADAEMO CC(C)Cc1onc(C[NH3+])c1N(C)C 75397744 572841935 /nfs/dbraw/zinc/84/19/35/572841935.db2.gz PVVANSMSQCISJI-UHFFFAOYSA-N 1 1 197.282 1.398 10 0 ADAEMO CC(C)(C)[NH2+]CCc1ccn[nH]1 85939250 572841975 /nfs/dbraw/zinc/84/19/75/572841975.db2.gz PYLQVXCDUNCWPX-UHFFFAOYSA-N 1 1 167.256 1.340 10 0 ADAEMO CC(C)c1onc(C[NH3+])c1N(C)C 75397735 572842003 /nfs/dbraw/zinc/84/20/03/572842003.db2.gz OVYPMLWBYNPWIK-UHFFFAOYSA-N 1 1 183.255 1.323 10 0 ADAEMO CCN(C)c1c(C[NH3+])noc1C1CC1 75397755 572842017 /nfs/dbraw/zinc/84/20/17/572842017.db2.gz OVJXEVRMWVIZJX-UHFFFAOYSA-N 1 1 195.266 1.467 10 0 ADAEMO c1cc(CC[NH2+]C2CCCC2)[nH]n1 85939258 572842054 /nfs/dbraw/zinc/84/20/54/572842054.db2.gz SAVVZZUNKNOCMG-UHFFFAOYSA-N 1 1 179.267 1.484 10 0 ADAEMO CC(C)(C)NC[C@@H]1[NH2+]C[C@@H]2CCC[C@H]21 299894842 572842103 /nfs/dbraw/zinc/84/21/03/572842103.db2.gz BAONZIWSXGYRSN-AXFHLTTASA-N 1 1 196.338 1.763 10 0 ADAEMO CCc1onc(C[NH3+])c1N(CC)CC 75397722 572842155 /nfs/dbraw/zinc/84/21/55/572842155.db2.gz IGJKMCRLWCIJLL-UHFFFAOYSA-N 1 1 197.282 1.542 10 0 ADAEMO CCCC[N@@H+]1CCC=C[C@H]1CN 75414278 572842158 /nfs/dbraw/zinc/84/21/58/572842158.db2.gz OHXHUFPPAQHYAS-JTQLQIEISA-N 1 1 168.284 1.376 10 0 ADAEMO CCCC[N@H+]1CCC=C[C@H]1CN 75414278 572842163 /nfs/dbraw/zinc/84/21/63/572842163.db2.gz OHXHUFPPAQHYAS-JTQLQIEISA-N 1 1 168.284 1.376 10 0 ADAEMO C[C@H](N)C[N@H+](C)CC1(C)CCC1 307958780 572842225 /nfs/dbraw/zinc/84/22/25/572842225.db2.gz IKAADECUIBRUON-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H](C)[NH2+]CCc1ccn[nH]1 85939291 572842226 /nfs/dbraw/zinc/84/22/26/572842226.db2.gz BUYIDYYYDLWBDU-QMMMGPOBSA-N 1 1 167.256 1.340 10 0 ADAEMO C[C@H](N)C[N@@H+](C)CC1(C)CCC1 307958780 572842229 /nfs/dbraw/zinc/84/22/29/572842229.db2.gz IKAADECUIBRUON-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CC[NH2+][C@H](C)[C@@H](C)N1C[C@@H](C)[C@@H](C)C1 86009524 572842766 /nfs/dbraw/zinc/84/27/66/572842766.db2.gz IJNGXQOUYOOQJT-WRWGMCAJSA-N 1 1 198.354 1.961 10 0 ADAEMO CC[NH2+][C@@H](C)CN1C[C@@H](C)[C@@H](C)C1 86009172 572842341 /nfs/dbraw/zinc/84/23/41/572842341.db2.gz YCBXIIVAFYBYMI-AXFHLTTASA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)C[C@H](C)[N@H+]1CCC[C@H]1CO 308150736 572842342 /nfs/dbraw/zinc/84/23/42/572842342.db2.gz QPSBGGGGTWHBTE-QWRGUYRKSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[NH2+][C@H](CC)CN1C[C@@H](C)[C@H](C)C1 86009432 572842471 /nfs/dbraw/zinc/84/24/71/572842471.db2.gz DFPQESGLAZBVFZ-IJLUTSLNSA-N 1 1 198.354 1.962 10 0 ADAEMO CC[C@H](NC)[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009145 572842404 /nfs/dbraw/zinc/84/24/04/572842404.db2.gz POEVOVBIUKHOMD-KXNHARMFSA-N 1 1 198.354 1.961 10 0 ADAEMO CC[C@H](NC)[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009145 572842408 /nfs/dbraw/zinc/84/24/08/572842408.db2.gz POEVOVBIUKHOMD-KXNHARMFSA-N 1 1 198.354 1.961 10 0 ADAEMO CO[C@H](C)C[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 299894158 572843322 /nfs/dbraw/zinc/84/33/22/572843322.db2.gz TVCSEUNPIAIVJA-KXUCPTDWSA-N 1 1 199.294 1.321 10 0 ADAEMO CC(C)[C@@H](N)C[NH2+]CCCCF 307958768 572842528 /nfs/dbraw/zinc/84/25/28/572842528.db2.gz IIUZXHMNNZPMDF-VIFPVBQESA-N 1 1 176.279 1.309 10 0 ADAEMO c1nc(C[NH2+]C2CC2)c(C2CC2)o1 85941597 572842605 /nfs/dbraw/zinc/84/26/05/572842605.db2.gz CBQTYZZTNLTHCV-UHFFFAOYSA-N 1 1 178.235 1.804 10 0 ADAEMO CCCc1ocnc1C[NH2+]CCOC 85942046 572842697 /nfs/dbraw/zinc/84/26/97/572842697.db2.gz IYGUDIWFSOCFKV-UHFFFAOYSA-N 1 1 198.266 1.363 10 0 ADAEMO CCC[C@H](CN1C[C@@H](C)[C@H](C)C1)[NH2+]C 86009211 572842872 /nfs/dbraw/zinc/84/28/72/572842872.db2.gz CEZGZONEIIBDMU-IJLUTSLNSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)C[C@H](O)C[N@H+]1CC[C@H]2C[C@H]21 308150913 572842873 /nfs/dbraw/zinc/84/28/73/572842873.db2.gz OFSWKDKYWONRCU-GARJFASQSA-N 1 1 183.295 1.488 10 0 ADAEMO CNC(C)(C)C[NH2+]CCCCF 307958736 572843012 /nfs/dbraw/zinc/84/30/12/572843012.db2.gz IGAJTOUPSJQHSX-UHFFFAOYSA-N 1 1 176.279 1.324 10 0 ADAEMO COCC[NH2+]Cc1ncoc1C(C)C 85942014 572843030 /nfs/dbraw/zinc/84/30/30/572843030.db2.gz IZNZXHMQCHHDGB-UHFFFAOYSA-N 1 1 198.266 1.534 10 0 ADAEMO CC[NH2+][C@H](C)CN1C[C@@H](C)[C@H](C)C1 86009176 572843038 /nfs/dbraw/zinc/84/30/38/572843038.db2.gz YCBXIIVAFYBYMI-GMTAPVOTSA-N 1 1 184.327 1.572 10 0 ADAEMO CC[C@@](C)([NH3+])CNCCC(F)F 308150194 572843058 /nfs/dbraw/zinc/84/30/58/572843058.db2.gz MHAMVRXJJGCWAS-MRVPVSSYSA-N 1 1 180.242 1.359 10 0 ADAEMO CC[NH2+][C@H](CC)CN1C[C@@H](C)[C@@H](C)C1 86009429 572843091 /nfs/dbraw/zinc/84/30/91/572843091.db2.gz DFPQESGLAZBVFZ-GRYCIOLGSA-N 1 1 198.354 1.962 10 0 ADAEMO CCCC[NH2+]CCc1ccn[nH]1 85939255 572843105 /nfs/dbraw/zinc/84/31/05/572843105.db2.gz WWEQLVZXDMEOLI-UHFFFAOYSA-N 1 1 167.256 1.342 10 0 ADAEMO CCOCc1ocnc1C[NH2+]C1CC1 85941546 572843121 /nfs/dbraw/zinc/84/31/21/572843121.db2.gz VBDDUYWJXVLKAX-UHFFFAOYSA-N 1 1 196.250 1.463 10 0 ADAEMO CC[NH2+][C@H](C)CN1C[C@@H](C)[C@@H](C)C1 86009173 572843132 /nfs/dbraw/zinc/84/31/32/572843132.db2.gz YCBXIIVAFYBYMI-OUAUKWLOSA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)C[C@H](O)C[N@H+]1CC[C@@H]2C[C@@H]21 308150917 572843272 /nfs/dbraw/zinc/84/32/72/572843272.db2.gz OFSWKDKYWONRCU-VWYCJHECSA-N 1 1 183.295 1.488 10 0 ADAEMO CC[C@](C)([NH3+])CNCCC(F)F 308150195 572843321 /nfs/dbraw/zinc/84/33/21/572843321.db2.gz MHAMVRXJJGCWAS-QMMMGPOBSA-N 1 1 180.242 1.359 10 0 ADAEMO COCCc1ocnc1C[NH2+]C1CC1 85941617 572843336 /nfs/dbraw/zinc/84/33/36/572843336.db2.gz MNPXFBNEHLXSSQ-UHFFFAOYSA-N 1 1 196.250 1.116 10 0 ADAEMO CCc1onc(C[NH3+])c1N(C)CC 75397726 572843383 /nfs/dbraw/zinc/84/33/83/572843383.db2.gz NMRIRHQWRNLAGD-UHFFFAOYSA-N 1 1 183.255 1.152 10 0 ADAEMO CCCC[N@@H+]1CCC=C[C@@H]1CN 75414276 572843459 /nfs/dbraw/zinc/84/34/59/572843459.db2.gz OHXHUFPPAQHYAS-SNVBAGLBSA-N 1 1 168.284 1.376 10 0 ADAEMO CCCC[N@H+]1CCC=C[C@@H]1CN 75414276 572843462 /nfs/dbraw/zinc/84/34/62/572843462.db2.gz OHXHUFPPAQHYAS-SNVBAGLBSA-N 1 1 168.284 1.376 10 0 ADAEMO CCOCC[N@H+]1CCC[C@@H]2C[C@@H]21 308151029 572843467 /nfs/dbraw/zinc/84/34/67/572843467.db2.gz MSZYGSGRNLYNRV-ZJUUUORDSA-N 1 1 169.268 1.507 10 0 ADAEMO CC(C)C[C@H](C)[N@H+]1CCC[C@@H]1CO 308150738 572843491 /nfs/dbraw/zinc/84/34/91/572843491.db2.gz QPSBGGGGTWHBTE-WDEREUQCSA-N 1 1 185.311 1.878 10 0 ADAEMO CC(C)(C)NC[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 299894843 572843506 /nfs/dbraw/zinc/84/35/06/572843506.db2.gz BAONZIWSXGYRSN-MXWKQRLJSA-N 1 1 196.338 1.763 10 0 ADAEMO c1cc(CC[NH2+]C2CCCCC2)[nH]n1 85939261 572843585 /nfs/dbraw/zinc/84/35/85/572843585.db2.gz RRLQHXFLXKNWKC-UHFFFAOYSA-N 1 1 193.294 1.875 10 0 ADAEMO CN(C)c1c(C[NH3+])noc1C1CCC1 75397763 572843559 /nfs/dbraw/zinc/84/35/59/572843559.db2.gz ZUAFHEFVZLTKFN-UHFFFAOYSA-N 1 1 195.266 1.467 10 0 ADAEMO CCC[C@H](N)C[NH+]1C[C@@H](C)[C@H](C)C1 86009445 572843665 /nfs/dbraw/zinc/84/36/65/572843665.db2.gz YCEXAEHJYQEYPE-MXWKQRLJSA-N 1 1 184.327 1.702 10 0 ADAEMO CN(C)CC1([NH2+]CCF)CCC1 308150894 572843809 /nfs/dbraw/zinc/84/38/09/572843809.db2.gz MQYSGAAYLGLMTI-UHFFFAOYSA-N 1 1 174.263 1.030 10 0 ADAEMO CO[C@H](C)C[N@H+]1CCC(=O)[C@H](C)[C@H]1C 299894159 572843828 /nfs/dbraw/zinc/84/38/28/572843828.db2.gz TVCSEUNPIAIVJA-OPRDCNLKSA-N 1 1 199.294 1.321 10 0 ADAEMO CC(C)CC[N@H+]1CCC=C[C@@H]1CN 75414297 572843932 /nfs/dbraw/zinc/84/39/32/572843932.db2.gz NWRAZNHHWUZEFW-LLVKDONJSA-N 1 1 182.311 1.622 10 0 ADAEMO CC(C)CCN1CCC=C[C@@H]1C[NH3+] 75414297 572843935 /nfs/dbraw/zinc/84/39/35/572843935.db2.gz NWRAZNHHWUZEFW-LLVKDONJSA-N 1 1 182.311 1.622 10 0 ADAEMO C[C@H](F)CC[N@H+]1CC[C@@H](CO)C1 307960498 572852588 /nfs/dbraw/zinc/85/25/88/572852588.db2.gz WGZMXQWKUVWYIB-DTWKUNHWSA-N 1 1 175.247 1.049 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@H](C)C[S@@](C)=O 307954476 572844231 /nfs/dbraw/zinc/84/42/31/572844231.db2.gz QHBGRFPTTJNTAD-YGOYTEALSA-N 1 1 191.340 1.484 10 0 ADAEMO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)C(F)F 299899427 572844418 /nfs/dbraw/zinc/84/44/18/572844418.db2.gz ZEEVKHSOZYWNIB-BIIVOSGPSA-N 1 1 193.237 1.533 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@H](C)C[S@](C)=O 307954475 572844432 /nfs/dbraw/zinc/84/44/32/572844432.db2.gz QHBGRFPTTJNTAD-SBMIAAHKSA-N 1 1 191.340 1.484 10 0 ADAEMO CCOCCN(C)c1[nH+]cccc1N 87976045 572844577 /nfs/dbraw/zinc/84/45/77/572844577.db2.gz QVMYMGYZRJROKB-UHFFFAOYSA-N 1 1 195.266 1.137 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H](C)C[S@](C)=O 307954472 572844730 /nfs/dbraw/zinc/84/47/30/572844730.db2.gz QHBGRFPTTJNTAD-AUTRQRHGSA-N 1 1 191.340 1.484 10 0 ADAEMO CC(C)C[C@@H](C)[N@H+]1CCC[C@@H]1CO 308150733 572844776 /nfs/dbraw/zinc/84/47/76/572844776.db2.gz QPSBGGGGTWHBTE-GHMZBOCLSA-N 1 1 185.311 1.878 10 0 ADAEMO CCOCCN(C)c1ccc(N)[nH+]c1 87976145 572845030 /nfs/dbraw/zinc/84/50/30/572845030.db2.gz LZEVRAQJCHCGDD-UHFFFAOYSA-N 1 1 195.266 1.137 10 0 ADAEMO CC[C@@H](C)[N@@H+](CCO)[C@H](C)C(C)=O 308152854 572846318 /nfs/dbraw/zinc/84/63/18/572846318.db2.gz RSTCWGJEXUXIFD-RKDXNWHRSA-N 1 1 187.283 1.057 10 0 ADAEMO CC[C@@H](C)[N@@H+](CCO)[C@@H](C)C(C)=O 308152849 572845237 /nfs/dbraw/zinc/84/52/37/572845237.db2.gz RSTCWGJEXUXIFD-BDAKNGLRSA-N 1 1 187.283 1.057 10 0 ADAEMO CCCC[N@@H+](C)C1CC(OC)C1 307958911 572845315 /nfs/dbraw/zinc/84/53/15/572845315.db2.gz ULMWCUKEYMELAV-UHFFFAOYSA-N 1 1 171.284 1.896 10 0 ADAEMO CCC[C@H](CN)[N@H+](C)CCOCC 87976417 572845420 /nfs/dbraw/zinc/84/54/20/572845420.db2.gz USGLZPCMMDYAIN-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CCC[C@H](CN)[N@@H+](C)CCOCC 87976417 572845422 /nfs/dbraw/zinc/84/54/22/572845422.db2.gz USGLZPCMMDYAIN-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCC[C@H]1COC 307959187 572845434 /nfs/dbraw/zinc/84/54/34/572845434.db2.gz URIHMXSUVBAJAH-ZJUUUORDSA-N 1 1 171.284 1.896 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](CCO)C1CC1 307963544 572845449 /nfs/dbraw/zinc/84/54/49/572845449.db2.gz OTBYTKVXPJVWLM-VIFPVBQESA-N 1 1 171.284 1.488 10 0 ADAEMO CCC(C)(C)[N@@H+](C)[C@@H]1C[C@@H]1CO 307959137 572845525 /nfs/dbraw/zinc/84/55/25/572845525.db2.gz UNBCCGSREUUFRQ-RKDXNWHRSA-N 1 1 171.284 1.488 10 0 ADAEMO CC(C)[C@@H](CO)[N@@H+](C)C1CC1 77261080 572845587 /nfs/dbraw/zinc/84/55/87/572845587.db2.gz KYYHVVHGUOQBQO-SECBINFHSA-N 1 1 157.257 1.098 10 0 ADAEMO CCC(C)(C)[N@@H+](C)[C@H]1C[C@H]1CO 307959136 572845677 /nfs/dbraw/zinc/84/56/77/572845677.db2.gz UNBCCGSREUUFRQ-IUCAKERBSA-N 1 1 171.284 1.488 10 0 ADAEMO CC[C@H](C)[N@H+]1CCC[C@H]1COC 307959185 572845866 /nfs/dbraw/zinc/84/58/66/572845866.db2.gz URIHMXSUVBAJAH-UWVGGRQHSA-N 1 1 171.284 1.896 10 0 ADAEMO CSCC[N@@H+](C)[C@H](C)CCCO 308151380 572845883 /nfs/dbraw/zinc/84/58/83/572845883.db2.gz MWVOOVYKYRVGRI-SECBINFHSA-N 1 1 191.340 1.442 10 0 ADAEMO CCC[C@@H](CO)[N@@H+](C)C1CC1 77261082 572845911 /nfs/dbraw/zinc/84/59/11/572845911.db2.gz AMJUZDJDJKSDND-VIFPVBQESA-N 1 1 157.257 1.242 10 0 ADAEMO CC(=O)CC[N@@H+](C[C@H](C)O)C(C)C 308152776 572846385 /nfs/dbraw/zinc/84/63/85/572846385.db2.gz PHFILTHPVYCBOV-JTQLQIEISA-N 1 1 187.283 1.057 10 0 ADAEMO CCC(C)(C)[N@@H+](C)[C@@H]1C[C@H]1CO 307959135 572846473 /nfs/dbraw/zinc/84/64/73/572846473.db2.gz UNBCCGSREUUFRQ-DTWKUNHWSA-N 1 1 171.284 1.488 10 0 ADAEMO CCC(C)(C)[N@@H+](C)[C@H]1C[C@@H]1CO 307959134 572846690 /nfs/dbraw/zinc/84/66/90/572846690.db2.gz UNBCCGSREUUFRQ-BDAKNGLRSA-N 1 1 171.284 1.488 10 0 ADAEMO C[N@@H+](CCCO)[C@H]1CCCSC1 308151585 572846736 /nfs/dbraw/zinc/84/67/36/572846736.db2.gz NBGHVQLGUPMZRG-VIFPVBQESA-N 1 1 189.324 1.196 10 0 ADAEMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)C(F)F 299899428 572846752 /nfs/dbraw/zinc/84/67/52/572846752.db2.gz ZEEVKHSOZYWNIB-XLPZGREQSA-N 1 1 193.237 1.533 10 0 ADAEMO C[N@@H+](CCCO)[C@@H]1CCCSC1 308151583 572846876 /nfs/dbraw/zinc/84/68/76/572846876.db2.gz NBGHVQLGUPMZRG-SECBINFHSA-N 1 1 189.324 1.196 10 0 ADAEMO CC(=O)CC[N@@H+](C[C@@H](C)O)C(C)C 308152777 572846971 /nfs/dbraw/zinc/84/69/71/572846971.db2.gz PHFILTHPVYCBOV-SNVBAGLBSA-N 1 1 187.283 1.057 10 0 ADAEMO CCOCC[N@@H+](C)CC(=O)C(C)C 87978515 572849104 /nfs/dbraw/zinc/84/91/04/572849104.db2.gz FVZWSOUUHTVIOC-UHFFFAOYSA-N 1 1 187.283 1.180 10 0 ADAEMO CC(C)[C@H](CO)[N@@H+](C)C1CC1 77261081 572847268 /nfs/dbraw/zinc/84/72/68/572847268.db2.gz KYYHVVHGUOQBQO-VIFPVBQESA-N 1 1 157.257 1.098 10 0 ADAEMO CC(C)CC[C@@H](C)[N@H+]1CC[C@H](O)C1 308151302 572847306 /nfs/dbraw/zinc/84/73/06/572847306.db2.gz OKNVEDHEZFTPKA-MNOVXSKESA-N 1 1 185.311 1.878 10 0 ADAEMO CCOCC[N@@H+](C)[C@@H]1CCCC1=O 87978530 572847320 /nfs/dbraw/zinc/84/73/20/572847320.db2.gz GGLYRYWHMBRBDW-SECBINFHSA-N 1 1 185.267 1.076 10 0 ADAEMO CCC/C=C/C[N@H+]1CCC[C@H]1CO 308152473 572847465 /nfs/dbraw/zinc/84/74/65/572847465.db2.gz JGSRHDAGNDRPJH-ZWNMCFTASA-N 1 1 183.295 1.799 10 0 ADAEMO CCOCC[N@@H+](C)[C@@H](C)CC(C)=O 87978523 572848283 /nfs/dbraw/zinc/84/82/83/572848283.db2.gz YWYWSTCDWXRVNX-VIFPVBQESA-N 1 1 187.283 1.322 10 0 ADAEMO Cc1cc(C[C@@H](N)C[NH+](C)C)cs1 308152203 572847525 /nfs/dbraw/zinc/84/75/25/572847525.db2.gz RLXUVPURUJUSCP-SNVBAGLBSA-N 1 1 198.335 1.488 10 0 ADAEMO CCOCC[N@@H+](C)[C@@H](C)[C@@H](O)CC 87978910 572847562 /nfs/dbraw/zinc/84/75/62/572847562.db2.gz PUAIXHQNVCFYBM-UWVGGRQHSA-N 1 1 189.299 1.114 10 0 ADAEMO CCC[C@H](CO)[N@@H+](C)C1CC1 77261083 572847645 /nfs/dbraw/zinc/84/76/45/572847645.db2.gz AMJUZDJDJKSDND-SECBINFHSA-N 1 1 157.257 1.242 10 0 ADAEMO CO[C@H]1CC[N@@H+](C[C@@H]2CCCC2=O)C1 234878707 572849177 /nfs/dbraw/zinc/84/91/77/572849177.db2.gz QZHWTYLPWMWCTM-UWVGGRQHSA-N 1 1 197.278 1.076 10 0 ADAEMO CC[C@H](C)[N@@H+](CCO)[C@H](C)C(C)=O 308152850 572847740 /nfs/dbraw/zinc/84/77/40/572847740.db2.gz RSTCWGJEXUXIFD-DTWKUNHWSA-N 1 1 187.283 1.057 10 0 ADAEMO CCC/C=C\C[N@H+]1CCC[C@H]1CO 308152471 572847807 /nfs/dbraw/zinc/84/78/07/572847807.db2.gz JGSRHDAGNDRPJH-WYGGZMRJSA-N 1 1 183.295 1.799 10 0 ADAEMO Cc1cc(C[C@H](N)C[NH+](C)C)cs1 308152197 572847841 /nfs/dbraw/zinc/84/78/41/572847841.db2.gz RLXUVPURUJUSCP-JTQLQIEISA-N 1 1 198.335 1.488 10 0 ADAEMO CSCC[N@@H+](C)[C@@H](C)CCCO 308151383 572847909 /nfs/dbraw/zinc/84/79/09/572847909.db2.gz MWVOOVYKYRVGRI-VIFPVBQESA-N 1 1 191.340 1.442 10 0 ADAEMO CC[C@H](C)[N@@H+](CCO)[C@@H](C)C(C)=O 308152852 572847925 /nfs/dbraw/zinc/84/79/25/572847925.db2.gz RSTCWGJEXUXIFD-IUCAKERBSA-N 1 1 187.283 1.057 10 0 ADAEMO C[N@@H+](CC1CCCC1)C(C)(C)CN 50090677 572848103 /nfs/dbraw/zinc/84/81/03/572848103.db2.gz KKJQZZQKSFRHMA-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CCOCC[N@@H+](C)[C@H](C)C(=O)CC 87978519 572848343 /nfs/dbraw/zinc/84/83/43/572848343.db2.gz LKNGWTSFGCJOCG-SECBINFHSA-N 1 1 187.283 1.322 10 0 ADAEMO CCOCC[N@@H+](C)[C@H]1CCC(=O)C1 87978513 572848353 /nfs/dbraw/zinc/84/83/53/572848353.db2.gz ARWIOYWNHUHOCQ-VIFPVBQESA-N 1 1 185.267 1.076 10 0 ADAEMO CCOCC[N@@H+](C)[C@H](C)CC(C)=O 87978524 572848362 /nfs/dbraw/zinc/84/83/62/572848362.db2.gz YWYWSTCDWXRVNX-SECBINFHSA-N 1 1 187.283 1.322 10 0 ADAEMO CC[C@H](C[NH2+][C@@H](C)C(F)F)OC 308145207 572848487 /nfs/dbraw/zinc/84/84/87/572848487.db2.gz JPHJBCAIIMKUSP-NKWVEPMBSA-N 1 1 181.226 1.655 10 0 ADAEMO CCOCC[N@@H+](C)[C@@H]1CCC(=O)C1 87978512 572848573 /nfs/dbraw/zinc/84/85/73/572848573.db2.gz ARWIOYWNHUHOCQ-SECBINFHSA-N 1 1 185.267 1.076 10 0 ADAEMO CCCOC(=O)[C@H](CC)[NH+](C)C 307959716 572848735 /nfs/dbraw/zinc/84/87/35/572848735.db2.gz VIFZLGUBOPCDHK-QMMMGPOBSA-N 1 1 173.256 1.280 10 0 ADAEMO CCOCC[N@@H+](C)CCCC(C)=O 87978507 572848808 /nfs/dbraw/zinc/84/88/08/572848808.db2.gz TXJJKQFKVZBFBW-UHFFFAOYSA-N 1 1 187.283 1.324 10 0 ADAEMO CC(C)OCCN(C)CC[C@@H](C)[NH3+] 87977592 572848943 /nfs/dbraw/zinc/84/89/43/572848943.db2.gz OFIZXFLRKKONHM-SNVBAGLBSA-N 1 1 188.315 1.081 10 0 ADAEMO CO[C@@H](C)CC[NH2+][C@@H](C)C(F)F 308144811 572849056 /nfs/dbraw/zinc/84/90/56/572849056.db2.gz JGOCFZWSLYUMHV-BQBZGAKWSA-N 1 1 181.226 1.655 10 0 ADAEMO CC1=C[C@H](C)C[C@H]([C@@H]2COC(N)=[NH+]2)C1 235362573 572849070 /nfs/dbraw/zinc/84/90/70/572849070.db2.gz LIEORGOHANYMGU-HGNGGELXSA-N 1 1 194.278 1.692 10 0 ADAEMO CCOCC[N@H+](C)CC(=O)C(C)C 87978515 572849100 /nfs/dbraw/zinc/84/91/00/572849100.db2.gz FVZWSOUUHTVIOC-UHFFFAOYSA-N 1 1 187.283 1.180 10 0 ADAEMO CO[C@H](C)CC[NH2+][C@@H](C)C(F)F 308144814 572849118 /nfs/dbraw/zinc/84/91/18/572849118.db2.gz JGOCFZWSLYUMHV-RQJHMYQMSA-N 1 1 181.226 1.655 10 0 ADAEMO CCOCC[N@@H+](C)[C@@H](C)C(=O)CC 87978520 572849126 /nfs/dbraw/zinc/84/91/26/572849126.db2.gz LKNGWTSFGCJOCG-VIFPVBQESA-N 1 1 187.283 1.322 10 0 ADAEMO CC[N@@H+](C)C[C@H](O)CCC(C)C 307960218 572849325 /nfs/dbraw/zinc/84/93/25/572849325.db2.gz VSULCBOEBHYHPA-SNVBAGLBSA-N 1 1 173.300 1.735 10 0 ADAEMO CCOCC[N@@H+](C)[C@H](C)C[C@@H](C)O 87978931 572849329 /nfs/dbraw/zinc/84/93/29/572849329.db2.gz URHBTRTVJJBBQP-NXEZZACHSA-N 1 1 189.299 1.114 10 0 ADAEMO CC1([NH2+]C[C@H](N)CC2CC2)CC1 307959765 572849887 /nfs/dbraw/zinc/84/98/87/572849887.db2.gz JOSUSGUSGKWNQH-SECBINFHSA-N 1 1 168.284 1.256 10 0 ADAEMO CC(C)OCCN(C)CC[C@H](C)[NH3+] 87977593 572849437 /nfs/dbraw/zinc/84/94/37/572849437.db2.gz OFIZXFLRKKONHM-JTQLQIEISA-N 1 1 188.315 1.081 10 0 ADAEMO CCOCC[N@@H+](C)[C@H](C)[C@@H](O)CC 87978908 572849736 /nfs/dbraw/zinc/84/97/36/572849736.db2.gz PUAIXHQNVCFYBM-ZJUUUORDSA-N 1 1 189.299 1.114 10 0 ADAEMO CCOCC[N@@H+](C)[C@@H]1CCCCC1=O 87978526 572849767 /nfs/dbraw/zinc/84/97/67/572849767.db2.gz KKWARHOUHQGTHX-SNVBAGLBSA-N 1 1 199.294 1.466 10 0 ADAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NCCF)C1 308144541 572850835 /nfs/dbraw/zinc/85/08/35/572850835.db2.gz KWFZQGJQYYACFY-VHSXEESVSA-N 1 1 188.290 1.274 10 0 ADAEMO CC(C)N1C[C@H](C)[C@H]([NH2+]CCF)C1 308144541 572850839 /nfs/dbraw/zinc/85/08/39/572850839.db2.gz KWFZQGJQYYACFY-VHSXEESVSA-N 1 1 188.290 1.274 10 0 ADAEMO CC[C@@H](C[NH2+][C@H](C)C(F)F)OC 308145214 572849833 /nfs/dbraw/zinc/84/98/33/572849833.db2.gz JPHJBCAIIMKUSP-RQJHMYQMSA-N 1 1 181.226 1.655 10 0 ADAEMO C[N@H+](CCN)C[C@@H]1CCCSC1 307959497 572849907 /nfs/dbraw/zinc/84/99/07/572849907.db2.gz JFAADIOKXONKRT-VIFPVBQESA-N 1 1 188.340 1.020 10 0 ADAEMO C[N@@H+](CCN)C[C@@H]1CCCSC1 307959497 572849912 /nfs/dbraw/zinc/84/99/12/572849912.db2.gz JFAADIOKXONKRT-VIFPVBQESA-N 1 1 188.340 1.020 10 0 ADAEMO CCOCC[N@@H+](C)[C@@H](C)C[C@@H](C)O 87978930 572849916 /nfs/dbraw/zinc/84/99/16/572849916.db2.gz URHBTRTVJJBBQP-VHSXEESVSA-N 1 1 189.299 1.114 10 0 ADAEMO C=Cc1nnc([C@@H]([NH3+])CCC)o1 307959513 572849983 /nfs/dbraw/zinc/84/99/83/572849983.db2.gz JFVCTYHIUONSHU-LURJTMIESA-N 1 1 167.212 1.513 10 0 ADAEMO N[C@H](C[NH2+]CCCF)CC1CC1 307959595 572849993 /nfs/dbraw/zinc/84/99/93/572849993.db2.gz JKDXEGCEMWVYOD-VIFPVBQESA-N 1 1 174.263 1.063 10 0 ADAEMO CC(C)N(C)C[C@@H]([NH3+])CC1CC1 307960372 572850031 /nfs/dbraw/zinc/85/00/31/572850031.db2.gz KFQLNTRMRYHWNR-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[N@H+](C)C[C@@H](N)CC1CC1 307960372 572850034 /nfs/dbraw/zinc/85/00/34/572850034.db2.gz KFQLNTRMRYHWNR-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[N@@H+](C)C[C@@H](N)CC1CC1 307960372 572850036 /nfs/dbraw/zinc/85/00/36/572850036.db2.gz KFQLNTRMRYHWNR-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CO[C@@H](C)CC[NH2+][C@H](C)C(F)F 308144812 572850107 /nfs/dbraw/zinc/85/01/07/572850107.db2.gz JGOCFZWSLYUMHV-NKWVEPMBSA-N 1 1 181.226 1.655 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)Cc1c[nH]nn1 308145314 572850166 /nfs/dbraw/zinc/85/01/66/572850166.db2.gz LJLWYEZZMUQFJA-QMMMGPOBSA-N 1 1 182.271 1.281 10 0 ADAEMO CC1([NH2+]C[C@@H](N)CC2CC2)CC1 307959767 572850171 /nfs/dbraw/zinc/85/01/71/572850171.db2.gz JOSUSGUSGKWNQH-VIFPVBQESA-N 1 1 168.284 1.256 10 0 ADAEMO CCOCCN(C)CCC(C)(C)[NH3+] 87977903 572850177 /nfs/dbraw/zinc/85/01/77/572850177.db2.gz JHUPBKZEHYQHPD-UHFFFAOYSA-N 1 1 188.315 1.082 10 0 ADAEMO CCOCC[N@@H+](C)[C@H]1CCCCC1=O 87978527 572850185 /nfs/dbraw/zinc/85/01/85/572850185.db2.gz KKWARHOUHQGTHX-JTQLQIEISA-N 1 1 199.294 1.466 10 0 ADAEMO CCCOC(=O)[C@@H](CC)[NH+](C)C 307959714 572850345 /nfs/dbraw/zinc/85/03/45/572850345.db2.gz VIFZLGUBOPCDHK-MRVPVSSYSA-N 1 1 173.256 1.280 10 0 ADAEMO C[N@@H+](CCN)C[C@H]1CCCSC1 307959495 572850825 /nfs/dbraw/zinc/85/08/25/572850825.db2.gz JFAADIOKXONKRT-SECBINFHSA-N 1 1 188.340 1.020 10 0 ADAEMO CC(C)C[C@@H](O)C[N@@H+](C)C1CC1 307960086 572850391 /nfs/dbraw/zinc/85/03/91/572850391.db2.gz VQYGVBNISGIODD-SNVBAGLBSA-N 1 1 171.284 1.488 10 0 ADAEMO CC(C)C[C@H](O)C[N@@H+](C)C1CC1 307960084 572850555 /nfs/dbraw/zinc/85/05/55/572850555.db2.gz VQYGVBNISGIODD-JTQLQIEISA-N 1 1 171.284 1.488 10 0 ADAEMO CC[C@H](C[NH2+][C@H](C)C(F)F)OC 308145211 572850624 /nfs/dbraw/zinc/85/06/24/572850624.db2.gz JPHJBCAIIMKUSP-RNFRBKRXSA-N 1 1 181.226 1.655 10 0 ADAEMO CO[C@H](C)CC[NH2+][C@H](C)C(F)F 308144813 572850686 /nfs/dbraw/zinc/85/06/86/572850686.db2.gz JGOCFZWSLYUMHV-RNFRBKRXSA-N 1 1 181.226 1.655 10 0 ADAEMO CC[N@@H+](C)C[C@@H](O)CCC(C)C 307960216 572850739 /nfs/dbraw/zinc/85/07/39/572850739.db2.gz VSULCBOEBHYHPA-JTQLQIEISA-N 1 1 173.300 1.735 10 0 ADAEMO CC(C)N(C)C[C@H]([NH3+])CC1CC1 307960373 572850747 /nfs/dbraw/zinc/85/07/47/572850747.db2.gz KFQLNTRMRYHWNR-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[N@H+](C)C[C@H](N)CC1CC1 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10 0 ADAEMO C[C@H](CCCO)[N@@H+](C)CC1CC1 307963126 572860229 /nfs/dbraw/zinc/86/02/29/572860229.db2.gz YWNKTFPORSGBGS-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](N)CC1CC1 308147755 572860243 /nfs/dbraw/zinc/86/02/43/572860243.db2.gz PDWCSFKNCRRHPG-IEBDPFPHSA-N 1 1 182.311 1.359 10 0 ADAEMO CC[C@@H](C[NH3+])Cc1n[nH]c(C(C)C)n1 87982602 572860327 /nfs/dbraw/zinc/86/03/27/572860327.db2.gz HONNSXVGKCYKCO-MRVPVSSYSA-N 1 1 196.298 1.456 10 0 ADAEMO CC[C@@H](C[NH3+])Cc1nnc(C(C)C)[nH]1 87982602 572860328 /nfs/dbraw/zinc/86/03/28/572860328.db2.gz HONNSXVGKCYKCO-MRVPVSSYSA-N 1 1 196.298 1.456 10 0 ADAEMO C[N@H+]1CC[C@@H]2Nc3ccsc3[C@H]2C1 257585513 572860489 /nfs/dbraw/zinc/86/04/89/572860489.db2.gz LTGMPHFJZBDHFP-YUMQZZPRSA-N 1 1 194.303 1.961 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+]CC[N@H+]2CCC[C@@H]12 257584996 572860588 /nfs/dbraw/zinc/86/05/88/572860588.db2.gz HWHSCCLKSCLXEL-NEPJUHHUSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)C[C@@H]1CNCC[N@@H+]2CCC[C@@H]12 257584996 572860592 /nfs/dbraw/zinc/86/05/92/572860592.db2.gz HWHSCCLKSCLXEL-NEPJUHHUSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)C[C@@H]1CNCC[N@H+]2CCC[C@@H]12 257584996 572860597 /nfs/dbraw/zinc/86/05/97/572860597.db2.gz HWHSCCLKSCLXEL-NEPJUHHUSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)C[C@@H](O)C[N@H+]1CC[C@H](C)C1 308148006 572860661 /nfs/dbraw/zinc/86/06/61/572860661.db2.gz MUHCGMIJJRSRPB-WDEREUQCSA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)C[C@H](O)C[N@H+]1CC[C@@H](C)C1 308148003 572860750 /nfs/dbraw/zinc/86/07/50/572860750.db2.gz MUHCGMIJJRSRPB-MNOVXSKESA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@@H]1C[N@H+](CCCCF)CCN1 308148170 572860776 /nfs/dbraw/zinc/86/07/76/572860776.db2.gz PFJVBIMTPKEAPR-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO CC[C@@H]1C[N@@H+](CCCCF)CCN1 308148170 572860778 /nfs/dbraw/zinc/86/07/78/572860778.db2.gz PFJVBIMTPKEAPR-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO C[C@H]1C[C@H]1C[NH2+]C[C@@H](N)CC1CC1 308147756 572860938 /nfs/dbraw/zinc/86/09/38/572860938.db2.gz PDWCSFKNCRRHPG-LSJOCFKGSA-N 1 1 182.311 1.359 10 0 ADAEMO C[C@@H]1C[C@H]1C[NH2+]C[C@@H](N)CC1CC1 308147757 572861004 /nfs/dbraw/zinc/86/10/04/572861004.db2.gz PDWCSFKNCRRHPG-MIMYLULJSA-N 1 1 182.311 1.359 10 0 ADAEMO CCC(=C[C@H]([NH3+])C(=O)OC)CC 75561298 572864463 /nfs/dbraw/zinc/86/44/63/572864463.db2.gz YUDKNMJUGJJQGG-QMMMGPOBSA-N 1 1 171.240 1.233 10 0 ADAEMO CC[C@H](C[NH3+])Cc1nnc(C2CC2)[nH]1 87982609 572861187 /nfs/dbraw/zinc/86/11/87/572861187.db2.gz SDNBRCLNSMMXFW-ZETCQYMHSA-N 1 1 194.282 1.210 10 0 ADAEMO CC[C@H](C[NH3+])Cc1n[nH]c(C2CC2)n1 87982609 572861190 /nfs/dbraw/zinc/86/11/90/572861190.db2.gz SDNBRCLNSMMXFW-ZETCQYMHSA-N 1 1 194.282 1.210 10 0 ADAEMO CC[C@@H](C[NH3+])Cc1nnc(C2CC2)[nH]1 87982610 572861296 /nfs/dbraw/zinc/86/12/96/572861296.db2.gz SDNBRCLNSMMXFW-SSDOTTSWSA-N 1 1 194.282 1.210 10 0 ADAEMO CC[C@@H](C[NH3+])Cc1n[nH]c(C2CC2)n1 87982610 572861299 /nfs/dbraw/zinc/86/12/99/572861299.db2.gz SDNBRCLNSMMXFW-SSDOTTSWSA-N 1 1 194.282 1.210 10 0 ADAEMO CCC(=O)c1cc(N)c([NH+](C)C)[nH]1 75554656 572861402 /nfs/dbraw/zinc/86/14/02/572861402.db2.gz NBMUQBAHCGTFOD-UHFFFAOYSA-N 1 1 181.239 1.256 10 0 ADAEMO CC(C)[C@H]1CNCC[N@@H+]2CCCC[C@@H]12 257586215 572864478 /nfs/dbraw/zinc/86/44/78/572864478.db2.gz XAFWLYQDHHNNHA-NEPJUHHUSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)C[C@H](O)C[N@H+]1CC[C@H](C)C1 308148005 572861510 /nfs/dbraw/zinc/86/15/10/572861510.db2.gz MUHCGMIJJRSRPB-QWRGUYRKSA-N 1 1 185.311 1.735 10 0 ADAEMO CCC[N@@H+](C)C[C@H](O)CC(C)C 307964754 572865788 /nfs/dbraw/zinc/86/57/88/572865788.db2.gz BHJZWHCPSIQZRB-SNVBAGLBSA-N 1 1 173.300 1.735 10 0 ADAEMO CC(C)[C@H]1CNCC[N@H+]2CCCC[C@@H]12 257586215 572864481 /nfs/dbraw/zinc/86/44/81/572864481.db2.gz XAFWLYQDHHNNHA-NEPJUHHUSA-N 1 1 196.338 1.716 10 0 ADAEMO C[NH+](C)c1[nH]c(C(=O)C2CC2)cc1N 75554669 572861597 /nfs/dbraw/zinc/86/15/97/572861597.db2.gz AAXGJGYTWHQUGK-UHFFFAOYSA-N 1 1 193.250 1.256 10 0 ADAEMO C[C@H]1C[C@@H]1C[NH2+]C[C@@H](N)CC1CC1 308147754 572861608 /nfs/dbraw/zinc/86/16/08/572861608.db2.gz PDWCSFKNCRRHPG-GDPRMGEGSA-N 1 1 182.311 1.359 10 0 ADAEMO Cc1cc(N)c([NH+]2CCC(=O)CC2)[nH]1 75554429 572861913 /nfs/dbraw/zinc/86/19/13/572861913.db2.gz BQJYKWMAJLWDSI-UHFFFAOYSA-N 1 1 193.250 1.075 10 0 ADAEMO C[N@@H+]1C[C@@H]2c3ccsc3N[C@H]2C1 257589704 572862238 /nfs/dbraw/zinc/86/22/38/572862238.db2.gz PABGIVNSJSZRIY-SFYZADRCSA-N 1 1 180.276 1.571 10 0 ADAEMO Cc1cc([C@@H](C)[N@H+]2CC[C@@H](O)C2)on1 257586173 572862747 /nfs/dbraw/zinc/86/27/47/572862747.db2.gz SUKNGZCOYINQDF-RKDXNWHRSA-N 1 1 196.250 1.111 10 0 ADAEMO Cc1cc([C@H](C)[N@H+]2CC[C@@H](O)C2)on1 257586172 572862859 /nfs/dbraw/zinc/86/28/59/572862859.db2.gz SUKNGZCOYINQDF-DTWKUNHWSA-N 1 1 196.250 1.111 10 0 ADAEMO C[N@H+]1C[C@@H]2Nc3sccc3[C@@H]2C1 257589705 572863045 /nfs/dbraw/zinc/86/30/45/572863045.db2.gz PABGIVNSJSZRIY-YUMQZZPRSA-N 1 1 180.276 1.571 10 0 ADAEMO C[N@H+]1C[C@@H]2Nc3ccsc3[C@@H]2C1 257589711 572863159 /nfs/dbraw/zinc/86/31/59/572863159.db2.gz PULFNVKIPMGEFW-SVRRBLITSA-N 1 1 180.276 1.571 10 0 ADAEMO CCC(=O)c1cc(N)c([NH+](C)C)n1C 75559727 572863255 /nfs/dbraw/zinc/86/32/55/572863255.db2.gz QDVMPGRRJYJVLP-UHFFFAOYSA-N 1 1 195.266 1.266 10 0 ADAEMO CCC[C@@H]1C[C@@H](CN(C)C)C[NH2+]1 75560525 572863265 /nfs/dbraw/zinc/86/32/65/572863265.db2.gz DKGBQCLOSQHOGL-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO C[N@@H+]1C[C@@H]2c3cscc3N[C@H]2C1 257589504 572863307 /nfs/dbraw/zinc/86/33/07/572863307.db2.gz BTFDYAFRSRCEKP-SVRRBLITSA-N 1 1 180.276 1.571 10 0 ADAEMO C[C@@H](CC1CCCC1)[N@@H+](C)CCN 689769640 572865737 /nfs/dbraw/zinc/86/57/37/572865737.db2.gz UTLQDQXGPOTMQG-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+]C[C@@H](C)CNCCC(F)(F)F 86070706 572865738 /nfs/dbraw/zinc/86/57/38/572865738.db2.gz UESATIFROXGVBI-SSDOTTSWSA-N 1 1 198.232 1.384 10 0 ADAEMO C[C@@H](CC1CCCC1)N(C)CC[NH3+] 689769640 572865742 /nfs/dbraw/zinc/86/57/42/572865742.db2.gz UTLQDQXGPOTMQG-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO Nc1ccc(C[NH+]2CCOCC2)s1 257586155 572863435 /nfs/dbraw/zinc/86/34/35/572863435.db2.gz RZEFHUVAJFBUGZ-UHFFFAOYSA-N 1 1 198.291 1.163 10 0 ADAEMO CC(C)=CC[N@H+](C)C[C@H](C)CO 307964681 572865756 /nfs/dbraw/zinc/86/57/56/572865756.db2.gz ZYQXTOIEPZNWRC-JTQLQIEISA-N 1 1 171.284 1.513 10 0 ADAEMO C[N@H+]1C[C@@H]2Nc3cscc3[C@@H]2C1 257589505 572863532 /nfs/dbraw/zinc/86/35/32/572863532.db2.gz BTFDYAFRSRCEKP-XPUUQOCRSA-N 1 1 180.276 1.571 10 0 ADAEMO CC[C@@H]([NH3+])c1nc(C(C)(C)OC)no1 86070884 572863680 /nfs/dbraw/zinc/86/36/80/572863680.db2.gz NMVWDDDRVPRBJY-ZCFIWIBFSA-N 1 1 199.254 1.361 10 0 ADAEMO COC(=O)[C@@H]([NH3+])CC1(C)CCCC1 118721595 572863705 /nfs/dbraw/zinc/86/37/05/572863705.db2.gz QIPCBKBXHORENJ-QMMMGPOBSA-N 1 1 185.267 1.457 10 0 ADAEMO CC(C)(CF)[NH2+]Cc1cncnc1 308155116 572865781 /nfs/dbraw/zinc/86/57/81/572865781.db2.gz QVPYEUXNTPDXKO-UHFFFAOYSA-N 1 1 183.230 1.314 10 0 ADAEMO C[N@@H+]1C[C@@H]2c3sccc3N[C@H]2C1 257589712 572864074 /nfs/dbraw/zinc/86/40/74/572864074.db2.gz PULFNVKIPMGEFW-XPUUQOCRSA-N 1 1 180.276 1.571 10 0 ADAEMO CCCC[C@H]1CCC[N@H+]1CCN 75560558 572864145 /nfs/dbraw/zinc/86/41/45/572864145.db2.gz FEHFYELMESZZGV-JTQLQIEISA-N 1 1 170.300 1.600 10 0 ADAEMO CCC[C@H]1C[C@@H](CN(C)C)C[NH2+]1 75560529 572864268 /nfs/dbraw/zinc/86/42/68/572864268.db2.gz DKGBQCLOSQHOGL-ZJUUUORDSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@H](C[N@@H+]1C[C@@H](C)C[C@@H](C)C1)NC 50166230 572864295 /nfs/dbraw/zinc/86/42/95/572864295.db2.gz MENLDPSEWQROOU-GRYCIOLGSA-N 1 1 198.354 1.962 10 0 ADAEMO CC[C@H](C[N@H+]1C[C@@H](C)C[C@@H](C)C1)NC 50166230 572864297 /nfs/dbraw/zinc/86/42/97/572864297.db2.gz MENLDPSEWQROOU-GRYCIOLGSA-N 1 1 198.354 1.962 10 0 ADAEMO C[NH2+][C@H](C)c1nc(C(C)(C)OC)no1 86070990 572864400 /nfs/dbraw/zinc/86/44/00/572864400.db2.gz CYSVQJSGVIOFSS-ZCFIWIBFSA-N 1 1 199.254 1.232 10 0 ADAEMO CC(C)[C@@H]1CNCC[N@@H+]2CCCC[C@@H]12 257586216 572864435 /nfs/dbraw/zinc/86/44/35/572864435.db2.gz XAFWLYQDHHNNHA-RYUDHWBXSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)[C@@H]1CNCC[N@H+]2CCCC[C@@H]12 257586216 572864436 /nfs/dbraw/zinc/86/44/36/572864436.db2.gz XAFWLYQDHHNNHA-RYUDHWBXSA-N 1 1 196.338 1.716 10 0 ADAEMO C/C=C\CNCCC[N@H+](C)C(C)C 308154057 572864564 /nfs/dbraw/zinc/86/45/64/572864564.db2.gz NJGUAIUPBCZHRJ-WAYWQWQTSA-N 1 1 184.327 1.882 10 0 ADAEMO C/C=C\CNCCC[N@@H+](C)C(C)C 308154057 572864568 /nfs/dbraw/zinc/86/45/68/572864568.db2.gz NJGUAIUPBCZHRJ-WAYWQWQTSA-N 1 1 184.327 1.882 10 0 ADAEMO CC[C@H]([NH3+])c1nc(C(C)(C)OC)no1 86070882 572864644 /nfs/dbraw/zinc/86/46/44/572864644.db2.gz NMVWDDDRVPRBJY-LURJTMIESA-N 1 1 199.254 1.361 10 0 ADAEMO CC1=NC(=O)N(Cc2ccco2)C1[NH3+] 257586223 572864842 /nfs/dbraw/zinc/86/48/42/572864842.db2.gz XKERCVKQHFOQCA-UHFFFAOYSA-N 1 1 193.206 1.121 10 0 ADAEMO CCC[C@H]1C[C@H](CN(C)C)C[NH2+]1 75560521 572864861 /nfs/dbraw/zinc/86/48/61/572864861.db2.gz DKGBQCLOSQHOGL-UWVGGRQHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)(C)CC[N@@H+]1CC[C@@](C)(N)C1 405787235 572864874 /nfs/dbraw/zinc/86/48/74/572864874.db2.gz JOCSUHCPQZPUHQ-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)(C)CC[N@H+]1CC[C@@](C)(N)C1 405787235 572864878 /nfs/dbraw/zinc/86/48/78/572864878.db2.gz JOCSUHCPQZPUHQ-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO Cc1[nH]cnc1CC[NH2+]C(C)C 75555537 572865202 /nfs/dbraw/zinc/86/52/02/572865202.db2.gz MJABCLXURGRGJI-UHFFFAOYSA-N 1 1 167.256 1.259 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1C[C@H]1CO 307965248 572865296 /nfs/dbraw/zinc/86/52/96/572865296.db2.gz QGSNYJVNCJUHFE-GUBZILKMSA-N 1 1 171.284 1.344 10 0 ADAEMO CCC[N@@H+](C)C[C@@H](O)CC(C)C 307964753 572865306 /nfs/dbraw/zinc/86/53/06/572865306.db2.gz BHJZWHCPSIQZRB-JTQLQIEISA-N 1 1 173.300 1.735 10 0 ADAEMO C[NH2+]C1(CNC2(C)CC2)CCC1 307964845 572865419 /nfs/dbraw/zinc/86/54/19/572865419.db2.gz QCAWHIKTQQZFJF-UHFFFAOYSA-N 1 1 168.284 1.271 10 0 ADAEMO CCC(=C[C@@H]([NH3+])C(=O)OC)CC 75561305 572865425 /nfs/dbraw/zinc/86/54/25/572865425.db2.gz YUDKNMJUGJJQGG-MRVPVSSYSA-N 1 1 171.240 1.233 10 0 ADAEMO CC(C)(O)C[NH2+][C@@H](C(F)F)C1CC1 308154147 572865446 /nfs/dbraw/zinc/86/54/46/572865446.db2.gz QDDWFTNYLJDEIO-SSDOTTSWSA-N 1 1 193.237 1.391 10 0 ADAEMO C[NH2+]C[C@H](C)CNCCC(F)(F)F 86070704 572865505 /nfs/dbraw/zinc/86/55/05/572865505.db2.gz UESATIFROXGVBI-ZETCQYMHSA-N 1 1 198.232 1.384 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1C[C@H]1CO 307965269 572865802 /nfs/dbraw/zinc/86/58/02/572865802.db2.gz QGSNYJVNCJUHFE-LPEHRKFASA-N 1 1 171.284 1.344 10 0 ADAEMO CC[NH2+]Cc1nc(C(C)(C)OC)no1 86071099 572865897 /nfs/dbraw/zinc/86/58/97/572865897.db2.gz NDVPLDIAXGJQRX-UHFFFAOYSA-N 1 1 199.254 1.061 10 0 ADAEMO FCCC[NH2+]C[C@H]1CCCCN1 307964892 572865946 /nfs/dbraw/zinc/86/59/46/572865946.db2.gz QGBTYBXXMPVKOM-SECBINFHSA-N 1 1 174.263 1.078 10 0 ADAEMO CC(C)C[C@@H](CO)[N@@H+](C)C1CC1 77264516 572866047 /nfs/dbraw/zinc/86/60/47/572866047.db2.gz LWNADZAJGQAFRN-JTQLQIEISA-N 1 1 171.284 1.488 10 0 ADAEMO CC(C)C[C@H](CO)[N@@H+](C)C1CC1 77264522 572866159 /nfs/dbraw/zinc/86/61/59/572866159.db2.gz LWNADZAJGQAFRN-SNVBAGLBSA-N 1 1 171.284 1.488 10 0 ADAEMO C/C=C/C[N@H+](C)[C@H]1C[C@@H](OC)C1 307965458 572866284 /nfs/dbraw/zinc/86/62/84/572866284.db2.gz BMFFIGAGMZONQS-XYBNDFSHSA-N 1 1 169.268 1.672 10 0 ADAEMO C[N@@H+](CCCCO)[C@@H]1CC1(C)C 307964843 572866357 /nfs/dbraw/zinc/86/63/57/572866357.db2.gz BJAUSYFHCCYDDI-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1C[C@@H]1CO 307965242 572866701 /nfs/dbraw/zinc/86/67/01/572866701.db2.gz QGSNYJVNCJUHFE-AEJSXWLSSA-N 1 1 171.284 1.344 10 0 ADAEMO C[C@H](CC1CCCC1)[N@@H+](C)CCN 689769643 572866705 /nfs/dbraw/zinc/86/67/05/572866705.db2.gz UTLQDQXGPOTMQG-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H](CC1CCCC1)N(C)CC[NH3+] 689769643 572866709 /nfs/dbraw/zinc/86/67/09/572866709.db2.gz UTLQDQXGPOTMQG-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H]1CC[N@H+](C(C)C)C[C@@H]1[NH3+] 77264093 572867371 /nfs/dbraw/zinc/86/73/71/572867371.db2.gz OXXJEJAUQFXXFH-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[N@@H+](CCCSC)C[C@H](C)O 307965508 572866931 /nfs/dbraw/zinc/86/69/31/572866931.db2.gz BOCUUKBBTPXQFH-VIFPVBQESA-N 1 1 191.340 1.442 10 0 ADAEMO CCCCC1([NH+](C)C)CCNCC1 118722929 572867036 /nfs/dbraw/zinc/86/70/36/572867036.db2.gz SCQYUWFSSXYDHX-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CC[N@@H+](Cc1cccc(N)n1)C(C)C 86115292 572867045 /nfs/dbraw/zinc/86/70/45/572867045.db2.gz TZCSQRUESJMLSB-UHFFFAOYSA-N 1 1 193.294 1.894 10 0 ADAEMO CCNc1cccc(C[N@@H+](C)CC)n1 86115280 572867147 /nfs/dbraw/zinc/86/71/47/572867147.db2.gz CHOWSWUGBBASNC-UHFFFAOYSA-N 1 1 193.294 1.965 10 0 ADAEMO C[N@@H+](CCCCO)[C@H]1CC1(C)C 307964848 572867195 /nfs/dbraw/zinc/86/71/95/572867195.db2.gz BJAUSYFHCCYDDI-VIFPVBQESA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@H](C)[N@@H+](C)Cc1cccc(N)n1 86115334 572867225 /nfs/dbraw/zinc/86/72/25/572867225.db2.gz NOBNRLKYDVXKAS-VIFPVBQESA-N 1 1 193.294 1.894 10 0 ADAEMO CC(C)=CC[N@H+](C)C[C@@H](C)CO 307964682 572867237 /nfs/dbraw/zinc/86/72/37/572867237.db2.gz ZYQXTOIEPZNWRC-SNVBAGLBSA-N 1 1 171.284 1.513 10 0 ADAEMO 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ADAEMO CC(C)(N)C[NH2+]CCc1ccsc1 308161354 572875542 /nfs/dbraw/zinc/87/55/42/572875542.db2.gz AKXLVXQXPXNCFX-UHFFFAOYSA-N 1 1 198.335 1.618 10 0 ADAEMO C[C@@](N)(C[NH3+])Cc1ccc(Cl)cc1 235383052 572875615 /nfs/dbraw/zinc/87/56/15/572875615.db2.gz SCVMANJPHLCBGW-JTQLQIEISA-N 1 1 198.697 1.559 10 0 ADAEMO CCC[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1[NH3+] 77271682 572875758 /nfs/dbraw/zinc/87/57/58/572875758.db2.gz MPJXRMNDHMCMKO-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@@H]1CC[N@H+](C(C)C)C[C@@H]1[NH3+] 77271682 572875760 /nfs/dbraw/zinc/87/57/60/572875760.db2.gz MPJXRMNDHMCMKO-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1[NH3+] 77271675 572875791 /nfs/dbraw/zinc/87/57/91/572875791.db2.gz IVDJCKYFEWBVHD-QWRGUYRKSA-N 1 1 184.327 1.700 10 0 ADAEMO CC(C)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1[NH3+] 77271675 572875793 /nfs/dbraw/zinc/87/57/93/572875793.db2.gz IVDJCKYFEWBVHD-QWRGUYRKSA-N 1 1 184.327 1.700 10 0 ADAEMO CCCC[C@@H](C)C[NH+]1CCNCC1 77271757 572875823 /nfs/dbraw/zinc/87/58/23/572875823.db2.gz BOALMYSGWRVKFU-LLVKDONJSA-N 1 1 184.327 1.718 10 0 ADAEMO CC(C)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1[NH3+] 77271677 572875941 /nfs/dbraw/zinc/87/59/41/572875941.db2.gz IVDJCKYFEWBVHD-MNOVXSKESA-N 1 1 184.327 1.700 10 0 ADAEMO CC(C)[C@H]1CC[N@H+](C(C)C)C[C@@H]1[NH3+] 77271677 572875943 /nfs/dbraw/zinc/87/59/43/572875943.db2.gz IVDJCKYFEWBVHD-MNOVXSKESA-N 1 1 184.327 1.700 10 0 ADAEMO CC[C@@](C)([C@H](C)O)[N@@H+](C)CC1CC1 308155754 572876062 /nfs/dbraw/zinc/87/60/62/572876062.db2.gz UCGZMBQMZKLNSG-ONGXEEELSA-N 1 1 185.311 1.878 10 0 ADAEMO CCC[C@H]1CNC[C@@H]2CCCC[N@@H+]12 77270261 572876218 /nfs/dbraw/zinc/87/62/18/572876218.db2.gz SDGGXECOEDRQMA-QWRGUYRKSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@H]1C[NH2+]C[C@@H]2CCCCN12 77270261 572876223 /nfs/dbraw/zinc/87/62/23/572876223.db2.gz SDGGXECOEDRQMA-QWRGUYRKSA-N 1 1 182.311 1.613 10 0 ADAEMO CC(=CC[NH3+])c1ccc2nc[nH]c2c1 77273782 572876256 /nfs/dbraw/zinc/87/62/56/572876256.db2.gz DYHDFZAUYJVKIC-XBXARRHUSA-N 1 1 187.246 1.925 10 0 ADAEMO CCC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1 77270204 572876267 /nfs/dbraw/zinc/87/62/67/572876267.db2.gz USEPQRBHSJJXHR-GHMZBOCLSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1 77270204 572876269 /nfs/dbraw/zinc/87/62/69/572876269.db2.gz USEPQRBHSJJXHR-GHMZBOCLSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@H]1CNC[C@H]2CCCC[N@@H+]12 77270253 572876447 /nfs/dbraw/zinc/87/64/47/572876447.db2.gz SDGGXECOEDRQMA-WDEREUQCSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@H]1C[NH2+]C[C@H]2CCCCN12 77270253 572876449 /nfs/dbraw/zinc/87/64/49/572876449.db2.gz SDGGXECOEDRQMA-WDEREUQCSA-N 1 1 182.311 1.613 10 0 ADAEMO CCCC[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 308158573 572876571 /nfs/dbraw/zinc/87/65/71/572876571.db2.gz VIPGKORRQMQGCI-GHMZBOCLSA-N 1 1 184.327 1.703 10 0 ADAEMO CCCC[N@H+]1C[C@@H](C)[C@](C)(CN)C1 308158573 572876575 /nfs/dbraw/zinc/87/65/75/572876575.db2.gz VIPGKORRQMQGCI-GHMZBOCLSA-N 1 1 184.327 1.703 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]CCCCF 307972607 572876667 /nfs/dbraw/zinc/87/66/67/572876667.db2.gz ZGLSEKRGCQTYGR-SECBINFHSA-N 1 1 176.279 1.453 10 0 ADAEMO CCC[C@@H]1CNC[C@H]2CCCC[N@@H+]12 77270249 572876716 /nfs/dbraw/zinc/87/67/16/572876716.db2.gz SDGGXECOEDRQMA-GHMZBOCLSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@@H]1C[NH2+]C[C@H]2CCCCN12 77270249 572876720 /nfs/dbraw/zinc/87/67/20/572876720.db2.gz SDGGXECOEDRQMA-GHMZBOCLSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@](C)(N)C[NH2+]CCCCF 307972608 572876887 /nfs/dbraw/zinc/87/68/87/572876887.db2.gz ZGLSEKRGCQTYGR-VIFPVBQESA-N 1 1 176.279 1.453 10 0 ADAEMO CCC[C@H]1CC[N@@H+](C(C)C)C[C@@H]1[NH3+] 77271686 572876933 /nfs/dbraw/zinc/87/69/33/572876933.db2.gz MPJXRMNDHMCMKO-QWRGUYRKSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@H]1CC[N@H+](C(C)C)C[C@@H]1[NH3+] 77271686 572876935 /nfs/dbraw/zinc/87/69/35/572876935.db2.gz MPJXRMNDHMCMKO-QWRGUYRKSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)(O)C[NH2+]CC(F)(F)C1CC1 308158503 572876964 /nfs/dbraw/zinc/87/69/64/572876964.db2.gz SYHPGFNLTYYPTI-UHFFFAOYSA-N 1 1 193.237 1.392 10 0 ADAEMO CCN(CC)C[C@@H]([NH3+])CC1CC1 307971918 572882713 /nfs/dbraw/zinc/88/27/13/572882713.db2.gz YMRXTYOYDUOXGA-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CCCc1[nH+]c(N)ccc1O 75539554 572877252 /nfs/dbraw/zinc/87/72/52/572877252.db2.gz LGNYPHVUBKUZPA-UHFFFAOYSA-N 1 1 152.197 1.322 10 0 ADAEMO CSCC[N@@H+](C)CCC1(O)CC1 308162064 572877282 /nfs/dbraw/zinc/87/72/82/572877282.db2.gz RVCQNAPPCFFFGJ-UHFFFAOYSA-N 1 1 189.324 1.196 10 0 ADAEMO c1cc([C@@H]2C[N@H+]3CCC[C@@H]3CN2)c[nH]1 77276507 572877563 /nfs/dbraw/zinc/87/75/63/572877563.db2.gz PEBWHPUMWVMJGF-MNOVXSKESA-N 1 1 191.278 1.123 10 0 ADAEMO C=CC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC 86188107 572877570 /nfs/dbraw/zinc/87/75/70/572877570.db2.gz ZIDKQFHGRUVMCR-JTQLQIEISA-N 1 1 196.294 1.115 10 0 ADAEMO c1c[nH]c([C@@H]2C[NH2+]C[C@H]3CCCN23)c1 77276516 572878485 /nfs/dbraw/zinc/87/84/85/572878485.db2.gz YZFUSQOWQSQSNM-KOLCDFICSA-N 1 1 191.278 1.123 10 0 ADAEMO C/C=C\CN1CC[C@@](C)(C[NH2+]C)C1 308158205 572877677 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VZZIAHNCEWKMGT-MNOVXSKESA-N 1 1 191.278 1.123 10 0 ADAEMO c1cc([C@@H]2C[NH2+]C[C@H]3CCCN32)c[nH]1 77276534 572878197 /nfs/dbraw/zinc/87/81/97/572878197.db2.gz VZZIAHNCEWKMGT-MNOVXSKESA-N 1 1 191.278 1.123 10 0 ADAEMO c1c[nH]c([C@H]2CNC[C@H]3CCC[N@@H+]32)c1 77276518 572878293 /nfs/dbraw/zinc/87/82/93/572878293.db2.gz YZFUSQOWQSQSNM-MWLCHTKSSA-N 1 1 191.278 1.123 10 0 ADAEMO c1c[nH]c([C@H]2C[NH2+]C[C@H]3CCCN32)c1 77276518 572878294 /nfs/dbraw/zinc/87/82/94/572878294.db2.gz YZFUSQOWQSQSNM-MWLCHTKSSA-N 1 1 191.278 1.123 10 0 ADAEMO c1cc([C@H]2C[N@H+]3CCC[C@@H]3CN2)c[nH]1 77276513 572878298 /nfs/dbraw/zinc/87/82/98/572878298.db2.gz PEBWHPUMWVMJGF-GHMZBOCLSA-N 1 1 191.278 1.123 10 0 ADAEMO c1cc([C@@H]2CNC[C@@H]3CCC[N@@H+]32)c[nH]1 77276544 572878374 /nfs/dbraw/zinc/87/83/74/572878374.db2.gz VZZIAHNCEWKMGT-QWRGUYRKSA-N 1 1 191.278 1.123 10 0 ADAEMO C/C=C\CN1CC[C@](C)(C[NH2+]C)C1 308158204 572878364 /nfs/dbraw/zinc/87/83/64/572878364.db2.gz UKOARABKCQRLFV-DOGVGXBMSA-N 1 1 182.311 1.494 10 0 ADAEMO c1cc([C@@H]2C[NH2+]C[C@@H]3CCCN32)c[nH]1 77276544 572878380 /nfs/dbraw/zinc/87/83/80/572878380.db2.gz VZZIAHNCEWKMGT-QWRGUYRKSA-N 1 1 191.278 1.123 10 0 ADAEMO c1c[nH]c([C@@H]2CNC[C@H]3CCC[N@H+]23)c1 77276516 572878483 /nfs/dbraw/zinc/87/84/83/572878483.db2.gz YZFUSQOWQSQSNM-KOLCDFICSA-N 1 1 191.278 1.123 10 0 ADAEMO Cc1ccccc1CCOC(=O)C[NH3+] 77277711 572878545 /nfs/dbraw/zinc/87/85/45/572878545.db2.gz BXXIDMKPNRIYOU-UHFFFAOYSA-N 1 1 193.246 1.039 10 0 ADAEMO c1c[nH]c([C@@H]2CNC[C@@H]3CCC[N@@H+]32)c1 77276527 572878580 /nfs/dbraw/zinc/87/85/80/572878580.db2.gz YZFUSQOWQSQSNM-ONGXEEELSA-N 1 1 191.278 1.123 10 0 ADAEMO CO[C@@H](C)[C@H](C)[N@@H+](C)CC(C)C 307971198 572878736 /nfs/dbraw/zinc/87/87/36/572878736.db2.gz HFPNCNWQHQEPGN-UWVGGRQHSA-N 1 1 173.300 1.998 10 0 ADAEMO CO[C@@H](C)[C@@H](C)[N@@H+](C)CC(C)C 307971200 572878887 /nfs/dbraw/zinc/87/88/87/572878887.db2.gz HFPNCNWQHQEPGN-ZJUUUORDSA-N 1 1 173.300 1.998 10 0 ADAEMO C[N@H+](C1CC1)[C@H](CO)c1ccccc1 77276314 572878832 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VZZIAHNCEWKMGT-GHMZBOCLSA-N 1 1 191.278 1.123 10 0 ADAEMO c1cc([C@H]2C[NH2+]C[C@H]3CCCN23)c[nH]1 77276538 572879469 /nfs/dbraw/zinc/87/94/69/572879469.db2.gz VZZIAHNCEWKMGT-GHMZBOCLSA-N 1 1 191.278 1.123 10 0 ADAEMO C=CC(=O)N(C)C[C@H]1CCC[N@@H+]1CC 86188105 572879633 /nfs/dbraw/zinc/87/96/33/572879633.db2.gz ZIDKQFHGRUVMCR-SNVBAGLBSA-N 1 1 196.294 1.115 10 0 ADAEMO C[C@H]1C[NH2+][C@H](c2ccco2)O1 71495467 572879617 /nfs/dbraw/zinc/87/96/17/572879617.db2.gz JQFZOXLYEUPAQI-XPUUQOCRSA-N 1 1 153.181 1.287 10 0 ADAEMO CO[C@H](C)[C@H](C)[N@@H+](C)CC(C)C 307971199 572879735 /nfs/dbraw/zinc/87/97/35/572879735.db2.gz HFPNCNWQHQEPGN-VHSXEESVSA-N 1 1 173.300 1.998 10 0 ADAEMO c1c[nH]c([C@@H]2C[N@H+]3CCC[C@@H]3CN2)c1 77276499 572879770 /nfs/dbraw/zinc/87/97/70/572879770.db2.gz HURUBTJQNVXRNG-KOLCDFICSA-N 1 1 191.278 1.123 10 0 ADAEMO CC(C)C[C@H](O)C[N@@H+](C)CC(C)C 308159370 572879784 /nfs/dbraw/zinc/87/97/84/572879784.db2.gz UFAKQUYCKAONKU-NSHDSACASA-N 1 1 187.327 1.981 10 0 ADAEMO 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IHJSOYBEDZHVGI-RKDXNWHRSA-N 1 1 199.294 1.668 10 0 ADAEMO CCC[NH2+]C[C@H](C)[C@@H](C)N1CCC1 308184441 572909658 /nfs/dbraw/zinc/90/96/58/572909658.db2.gz DTBRDBGUIJJYNS-WDEREUQCSA-N 1 1 184.327 1.716 10 0 ADAEMO COC(=O)[C@H](C)[C@H](C)[N@@H+](C)C1CC1 86306142 572909684 /nfs/dbraw/zinc/90/96/84/572909684.db2.gz BLJIMPMYMZICNK-SFYZADRCSA-N 1 1 185.267 1.278 10 0 ADAEMO COC(=O)[C@H](C)[C@H](C)[N@H+]1CCC[C@H]1C 86306667 572909826 /nfs/dbraw/zinc/90/98/26/572909826.db2.gz ZTDFTOCNKJEUMV-BBBLOLIVSA-N 1 1 199.294 1.668 10 0 ADAEMO COC(=O)[C@H](C)[C@H](C)[N@@H+](C)C(C)C 86305861 572909874 /nfs/dbraw/zinc/90/98/74/572909874.db2.gz ILOLVELZNMZRPN-BDAKNGLRSA-N 1 1 187.283 1.524 10 0 ADAEMO CC(C)[N@H+]1C[C@H](N)C[C@H]1CC1CCC1 250500378 572909907 /nfs/dbraw/zinc/90/99/07/572909907.db2.gz KYINMDBGSXLLGW-VXGBXAGGSA-N 1 1 196.338 1.987 10 0 ADAEMO CCC[N@@H+](C)[C@@H](C)[C@@H](C)C(=O)OC 86306210 572910043 /nfs/dbraw/zinc/91/00/43/572910043.db2.gz JUMCAEDYIVCPSR-BDAKNGLRSA-N 1 1 187.283 1.526 10 0 ADAEMO COC(=O)[C@H](C)[C@@H](C)[N@@H+](C)C1CC1 86306137 572910053 /nfs/dbraw/zinc/91/00/53/572910053.db2.gz BLJIMPMYMZICNK-HTQZYQBOSA-N 1 1 185.267 1.278 10 0 ADAEMO COCCC[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86303460 572910060 /nfs/dbraw/zinc/91/00/60/572910060.db2.gz PJFFGOMBLOONLJ-ZJUUUORDSA-N 1 1 199.294 1.322 10 0 ADAEMO CC[N@@H+](C)[C@H](C)[C@@H](C)C(=O)OC 86306120 572910234 /nfs/dbraw/zinc/91/02/34/572910234.db2.gz RKMHRHUTERVFHK-HTQZYQBOSA-N 1 1 173.256 1.136 10 0 ADAEMO CC[N@@H+](C)[C@@H](C)[C@@H](C)C(=O)OC 86306119 572910238 /nfs/dbraw/zinc/91/02/38/572910238.db2.gz RKMHRHUTERVFHK-SFYZADRCSA-N 1 1 173.256 1.136 10 0 ADAEMO CC(C)(C)c1ncc(C(=[NH2+])NO)cn1 75848118 572910289 /nfs/dbraw/zinc/91/02/89/572910289.db2.gz QEDDVZOWQYTCGB-UHFFFAOYSA-N 1 1 194.238 1.078 10 0 ADAEMO COC(=O)[C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C 86306668 572910871 /nfs/dbraw/zinc/91/08/71/572910871.db2.gz ZTDFTOCNKJEUMV-AEJSXWLSSA-N 1 1 199.294 1.668 10 0 ADAEMO CCOCC[N@@H+]1CCC(=O)[C@@H](C)[C@@H]1C 86303723 572910491 /nfs/dbraw/zinc/91/04/91/572910491.db2.gz DENVTOFDTMMZBZ-UWVGGRQHSA-N 1 1 199.294 1.322 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C 308182482 572910601 /nfs/dbraw/zinc/91/06/01/572910601.db2.gz DLHXCJWOKFTUND-RCWTZXSCSA-N 1 1 184.327 1.748 10 0 ADAEMO COC(=O)[C@@H](C)[C@@H](C)[N@@H+](C)C1CC1 86306135 572910620 /nfs/dbraw/zinc/91/06/20/572910620.db2.gz BLJIMPMYMZICNK-JGVFFNPUSA-N 1 1 185.267 1.278 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C 308182478 572910640 /nfs/dbraw/zinc/91/06/40/572910640.db2.gz DLHXCJWOKFTUND-NAKRPEOUSA-N 1 1 184.327 1.748 10 0 ADAEMO COCCC[N@H+]1CCC(=O)[C@H](C)[C@H]1C 86303463 572910660 /nfs/dbraw/zinc/91/06/60/572910660.db2.gz PJFFGOMBLOONLJ-NXEZZACHSA-N 1 1 199.294 1.322 10 0 ADAEMO COC(=O)[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)C1 86306710 572910675 /nfs/dbraw/zinc/91/06/75/572910675.db2.gz OJCKVUORVFNBSM-BBBLOLIVSA-N 1 1 199.294 1.526 10 0 ADAEMO COC(=O)[C@H](C)[C@H](C)[N@@H+](C)CC1CC1 86306689 572910725 /nfs/dbraw/zinc/91/07/25/572910725.db2.gz KNMQTSJXDSDMFV-BDAKNGLRSA-N 1 1 199.294 1.526 10 0 ADAEMO CC(C)[N@H+]1C[C@H](N)C[C@H]1C1CCCC1 250520401 572910737 /nfs/dbraw/zinc/91/07/37/572910737.db2.gz SLXUMWHLOBVNGO-NEPJUHHUSA-N 1 1 196.338 1.987 10 0 ADAEMO CC(C)[N@H+]1C[C@@H](N)C[C@H]1C1CCCC1 250520408 572910955 /nfs/dbraw/zinc/91/09/55/572910955.db2.gz SLXUMWHLOBVNGO-RYUDHWBXSA-N 1 1 196.338 1.987 10 0 ADAEMO COC(=O)[C@H](C)[C@@H](C)[N@@H+](C)C(C)C 86305863 572911141 /nfs/dbraw/zinc/91/11/41/572911141.db2.gz ILOLVELZNMZRPN-RKDXNWHRSA-N 1 1 187.283 1.524 10 0 ADAEMO CC(C)(C)C[C@@H]([NH3+])CCNCCF 308182380 572911142 /nfs/dbraw/zinc/91/11/42/572911142.db2.gz HZCMNIBSRASOBK-VIFPVBQESA-N 1 1 190.306 1.699 10 0 ADAEMO COC(=O)[C@@H](C)[C@H](C)[N@@H+](C)CC1CC1 86306688 572911166 /nfs/dbraw/zinc/91/11/66/572911166.db2.gz KNMQTSJXDSDMFV-IUCAKERBSA-N 1 1 199.294 1.526 10 0 ADAEMO COC(=O)[C@H](C)[C@@H](C)[N@@H+](C)CC1CC1 86306686 572911339 /nfs/dbraw/zinc/91/13/39/572911339.db2.gz KNMQTSJXDSDMFV-RKDXNWHRSA-N 1 1 199.294 1.526 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1C 308182491 572911418 /nfs/dbraw/zinc/91/14/18/572911418.db2.gz DLHXCJWOKFTUND-XWLWVQCSSA-N 1 1 184.327 1.748 10 0 ADAEMO OC[C@@H]1C[C@H]1[NH2+][C@H](C(F)F)C1CC1 308181645 572911550 /nfs/dbraw/zinc/91/15/50/572911550.db2.gz GVCARKJMOMXTJF-RNJXMRFFSA-N 1 1 191.221 1.001 10 0 ADAEMO CN1CCC[C@H]([NH2+]CCCF)CC1 308181978 572911567 /nfs/dbraw/zinc/91/15/67/572911567.db2.gz HSXUOWQUVUSUBN-JTQLQIEISA-N 1 1 188.290 1.420 10 0 ADAEMO CSCC[N@H+](C)Cc1cc(C)n[nH]1 308182170 572911590 /nfs/dbraw/zinc/91/15/90/572911590.db2.gz HCLYNQSQPXCSGX-UHFFFAOYSA-N 1 1 199.323 1.513 10 0 ADAEMO CSCC[N@@H+](C)Cc1cc(C)n[nH]1 308182170 572911593 /nfs/dbraw/zinc/91/15/93/572911593.db2.gz HCLYNQSQPXCSGX-UHFFFAOYSA-N 1 1 199.323 1.513 10 0 ADAEMO C[C@@H]([C@H](C)C[NH3+])N(C)Cc1ccoc1 86312207 572911886 /nfs/dbraw/zinc/91/18/86/572911886.db2.gz VPUOXCINYNXDST-ZJUUUORDSA-N 1 1 196.294 1.695 10 0 ADAEMO CCNC(C)(C)C[NH2+]CCCCF 308181713 572911919 /nfs/dbraw/zinc/91/19/19/572911919.db2.gz CZRRDMTXVRJPAF-UHFFFAOYSA-N 1 1 190.306 1.714 10 0 ADAEMO CCCCc1noc([C@@H]([NH3+])CC)n1 86314703 572911958 /nfs/dbraw/zinc/91/19/58/572911958.db2.gz HMIHZWZLFWJZGJ-ZETCQYMHSA-N 1 1 183.255 1.822 10 0 ADAEMO Nc1ccc(NCCCCF)[nH+]c1 308181769 572911976 /nfs/dbraw/zinc/91/19/76/572911976.db2.gz DDQATRIKJXETSP-UHFFFAOYSA-N 1 1 183.230 1.825 10 0 ADAEMO CN1CCC[C@@H]([NH2+]CCCF)CC1 308181979 572911991 /nfs/dbraw/zinc/91/19/91/572911991.db2.gz HSXUOWQUVUSUBN-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO OC[C@@H]1C[C@@H]1[NH2+][C@H](C(F)F)C1CC1 308181644 572911996 /nfs/dbraw/zinc/91/19/96/572911996.db2.gz GVCARKJMOMXTJF-FXQIFTODSA-N 1 1 191.221 1.001 10 0 ADAEMO C[C@@H](C[NH3+])[C@@H](C)N(C)Cc1ccco1 86311688 572912016 /nfs/dbraw/zinc/91/20/16/572912016.db2.gz HSVKKULBVQBUNB-VHSXEESVSA-N 1 1 196.294 1.695 10 0 ADAEMO CNC1(C[NH2+]CC2CC2)CCCC1 308182403 572912035 /nfs/dbraw/zinc/91/20/35/572912035.db2.gz DHHCWBACFUBHFB-UHFFFAOYSA-N 1 1 182.311 1.518 10 0 ADAEMO CCCCc1noc([C@H](C)[NH3+])n1 86314631 572912159 /nfs/dbraw/zinc/91/21/59/572912159.db2.gz BMKOULFQEQNXLS-LURJTMIESA-N 1 1 169.228 1.432 10 0 ADAEMO Fc1ccc(Cl)cc1C1=[NH+]CCN1 75898901 572912314 /nfs/dbraw/zinc/91/23/14/572912314.db2.gz ZQMBJEMGEJPBOT-UHFFFAOYSA-N 1 1 198.628 1.829 10 0 ADAEMO COc1cccc(C2=[NH+]CCN2)c1F 75898897 572912475 /nfs/dbraw/zinc/91/24/75/572912475.db2.gz BCMZIWYGHBUKHR-UHFFFAOYSA-N 1 1 194.209 1.184 10 0 ADAEMO Fc1ccc(F)c(C2=[NH+]CCN2)c1 75898882 572912527 /nfs/dbraw/zinc/91/25/27/572912527.db2.gz IWCWZBHHRUZVRK-UHFFFAOYSA-N 1 1 182.173 1.315 10 0 ADAEMO Fc1cccc(C2=[NH+]CCN2)c1F 75898880 572912539 /nfs/dbraw/zinc/91/25/39/572912539.db2.gz GNKUYLUCNJQONX-UHFFFAOYSA-N 1 1 182.173 1.315 10 0 ADAEMO C[C@H](C[NH3+])[C@@H](C)N(C)Cc1ccco1 86311689 572912839 /nfs/dbraw/zinc/91/28/39/572912839.db2.gz HSVKKULBVQBUNB-NXEZZACHSA-N 1 1 196.294 1.695 10 0 ADAEMO C[C@@H]1CC[C@@H]([N@@H+](C)CCCCO)C1 308182919 572912871 /nfs/dbraw/zinc/91/28/71/572912871.db2.gz IGIXLTAGVJKJGT-GHMZBOCLSA-N 1 1 185.311 1.879 10 0 ADAEMO CCCCc1noc([C@@H](C)[NH3+])n1 86314630 572912963 /nfs/dbraw/zinc/91/29/63/572912963.db2.gz BMKOULFQEQNXLS-ZCFIWIBFSA-N 1 1 169.228 1.432 10 0 ADAEMO C[C@@H](C[NH3+])[C@H](C)N(C)Cc1ccco1 86311690 572913068 /nfs/dbraw/zinc/91/30/68/572913068.db2.gz HSVKKULBVQBUNB-UWVGGRQHSA-N 1 1 196.294 1.695 10 0 ADAEMO CCCCc1noc([C@H]([NH3+])CC)n1 86314702 572913163 /nfs/dbraw/zinc/91/31/63/572913163.db2.gz HMIHZWZLFWJZGJ-SSDOTTSWSA-N 1 1 183.255 1.822 10 0 ADAEMO CCC[C@H](C1CC1)[N@H+](C)CCNC 308186340 572913193 /nfs/dbraw/zinc/91/31/93/572913193.db2.gz KAZXPBCBDDVHEB-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[C@H](C1CC1)[N@@H+](C)CCNC 308186340 572913195 /nfs/dbraw/zinc/91/31/95/572913195.db2.gz KAZXPBCBDDVHEB-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CCCCc1noc(C(C)(C)[NH3+])n1 86314634 572913840 /nfs/dbraw/zinc/91/38/40/572913840.db2.gz FOQOASBBBOTPAO-UHFFFAOYSA-N 1 1 183.255 1.606 10 0 ADAEMO C[C@H](C[NH3+])[C@@H](C)N(C)Cc1ccoc1 86312205 572913874 /nfs/dbraw/zinc/91/38/74/572913874.db2.gz VPUOXCINYNXDST-NXEZZACHSA-N 1 1 196.294 1.695 10 0 ADAEMO CCCCc1noc([C@@H]([NH3+])C2CC2)n1 86314641 572913937 /nfs/dbraw/zinc/91/39/37/572913937.db2.gz IVJWUURNFBPKKR-VIFPVBQESA-N 1 1 195.266 1.822 10 0 ADAEMO CCC[C@@H](C1CC1)[N@H+](C)CCNC 308186341 572914230 /nfs/dbraw/zinc/91/42/30/572914230.db2.gz KAZXPBCBDDVHEB-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[C@@H](C1CC1)[N@@H+](C)CCNC 308186341 572914234 /nfs/dbraw/zinc/91/42/34/572914234.db2.gz KAZXPBCBDDVHEB-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO [NH3+][C@@H]1CC(=O)c2c(O)cc(F)cc21 713775584 572914633 /nfs/dbraw/zinc/91/46/33/572914633.db2.gz RGHFZJOUPFCBBE-ZCFIWIBFSA-N 1 1 181.166 1.118 10 0 ADAEMO C[C@@H]([C@H](C)C[NH3+])N(C)Cc1ccco1 86311691 572914704 /nfs/dbraw/zinc/91/47/04/572914704.db2.gz HSVKKULBVQBUNB-ZJUUUORDSA-N 1 1 196.294 1.695 10 0 ADAEMO CCCCc1noc([C@H]([NH3+])C2CC2)n1 86314640 572914811 /nfs/dbraw/zinc/91/48/11/572914811.db2.gz IVJWUURNFBPKKR-SECBINFHSA-N 1 1 195.266 1.822 10 0 ADAEMO C[C@@H](C[NH3+])[C@H](C)N(C)Cc1ccoc1 86312206 572915005 /nfs/dbraw/zinc/91/50/05/572915005.db2.gz VPUOXCINYNXDST-UWVGGRQHSA-N 1 1 196.294 1.695 10 0 ADAEMO [NH3+][C@H]1CC(=O)c2c(O)cc(F)cc21 713775581 572915146 /nfs/dbraw/zinc/91/51/46/572915146.db2.gz RGHFZJOUPFCBBE-LURJTMIESA-N 1 1 181.166 1.118 10 0 ADAEMO C[C@H]1CC[C@H]([N@@H+](C)CCCCO)C1 308182924 572915087 /nfs/dbraw/zinc/91/50/87/572915087.db2.gz IGIXLTAGVJKJGT-QWRGUYRKSA-N 1 1 185.311 1.879 10 0 ADAEMO CCCCc1nnc(C[NH2+]C)o1 50615397 572915562 /nfs/dbraw/zinc/91/55/62/572915562.db2.gz VYMBFYZKAKGWIP-UHFFFAOYSA-N 1 1 169.228 1.132 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(C(F)F)o1 50618533 572915545 /nfs/dbraw/zinc/91/55/45/572915545.db2.gz SYTHDPCKLXHJIO-VKHMYHEASA-N 1 1 177.154 1.288 10 0 ADAEMO C1C[NH2+][C@@H]2[C@H](C1)C[N@@H+]1CCCC[C@H]21 257641487 572915732 /nfs/dbraw/zinc/91/57/32/572915732.db2.gz HVHKVSMTGDALPW-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CN[C@@H]2[C@H](C1)C[N@H+]1CCCC[C@H]21 257641487 572915735 /nfs/dbraw/zinc/91/57/35/572915735.db2.gz HVHKVSMTGDALPW-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CN[C@@H]2[C@H](C1)C[N@@H+]1CCCC[C@H]21 257641487 572915738 /nfs/dbraw/zinc/91/57/38/572915738.db2.gz HVHKVSMTGDALPW-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@@H]1CC[C@@H]2CC[N@H+]2C1 72231487 572915796 /nfs/dbraw/zinc/91/57/96/572915796.db2.gz DDVLQNIMYKAQRQ-HTQZYQBOSA-N 1 1 125.215 1.491 10 0 ADAEMO COCCCc1ncc([C@@H](C)[NH3+])[nH]1 308188762 572915838 /nfs/dbraw/zinc/91/58/38/572915838.db2.gz LVTYCGYZXYQALS-SSDOTTSWSA-N 1 1 183.255 1.008 10 0 ADAEMO COCCCc1ncc([C@H](C)[NH3+])[nH]1 308188764 572916225 /nfs/dbraw/zinc/91/62/25/572916225.db2.gz LVTYCGYZXYQALS-ZETCQYMHSA-N 1 1 183.255 1.008 10 0 ADAEMO OCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1 72236089 572916239 /nfs/dbraw/zinc/91/62/39/572916239.db2.gz HKBWVVRNESGZLC-WRWGMCAJSA-N 1 1 193.290 1.123 10 0 ADAEMO Cc1cccc(NC=[NH2+])n1 72231330 572916393 /nfs/dbraw/zinc/91/63/93/572916393.db2.gz RFMAUXQTMNSNDN-UHFFFAOYSA-N 1 1 135.170 1.409 10 0 ADAEMO C[C@@H]1CNCC[N@@H+](CC2(C)CCC2)C1 235402737 572916866 /nfs/dbraw/zinc/91/68/66/572916866.db2.gz ZZLWNIZCRZJYMP-LLVKDONJSA-N 1 1 196.338 1.718 10 0 ADAEMO C1C[NH2+][C@@H]2[C@@H](C1)C[N@@H+]1CCCC[C@@H]21 257641485 572916448 /nfs/dbraw/zinc/91/64/48/572916448.db2.gz HVHKVSMTGDALPW-GARJFASQSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CN[C@@H]2[C@@H](C1)C[N@H+]1CCCC[C@@H]21 257641485 572916450 /nfs/dbraw/zinc/91/64/50/572916450.db2.gz HVHKVSMTGDALPW-GARJFASQSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CN[C@@H]2[C@@H](C1)C[N@@H+]1CCCC[C@@H]21 257641485 572916453 /nfs/dbraw/zinc/91/64/53/572916453.db2.gz HVHKVSMTGDALPW-GARJFASQSA-N 1 1 180.295 1.223 10 0 ADAEMO CCC(=[NH2+])c1ccccn1 72231237 572916473 /nfs/dbraw/zinc/91/64/73/572916473.db2.gz GEDBERHTCKJABQ-UHFFFAOYSA-N 1 1 134.182 1.859 10 0 ADAEMO C[NH2+][C@H](C)c1nnc([C@H]2C[C@H]2C)o1 50618424 572916492 /nfs/dbraw/zinc/91/64/92/572916492.db2.gz GZHQHCLWTVMRMH-QYNIQEEDSA-N 1 1 181.239 1.473 10 0 ADAEMO O[N@@H+]1CCCC2=CCCC[C@@H]21 196967353 572917068 /nfs/dbraw/zinc/91/70/68/572917068.db2.gz RRFNBVJTGWBPKL-VIFPVBQESA-N 1 1 153.225 1.950 10 0 ADAEMO C[NH2+][C@H](C)c1nnc([C@@H]2C[C@H]2C)o1 50618426 572917069 /nfs/dbraw/zinc/91/70/69/572917069.db2.gz GZHQHCLWTVMRMH-FSDSQADBSA-N 1 1 181.239 1.473 10 0 ADAEMO O[N@@H+]1CCCC2=CCCC[C@H]21 196967342 572916583 /nfs/dbraw/zinc/91/65/83/572916583.db2.gz RRFNBVJTGWBPKL-SECBINFHSA-N 1 1 153.225 1.950 10 0 ADAEMO O[N@H+]1CCCC2=CCCC[C@H]21 196967342 572916585 /nfs/dbraw/zinc/91/65/85/572916585.db2.gz RRFNBVJTGWBPKL-SECBINFHSA-N 1 1 153.225 1.950 10 0 ADAEMO O[N@H+]1CCCC2=CCCC[C@@H]21 196967353 572917070 /nfs/dbraw/zinc/91/70/70/572917070.db2.gz RRFNBVJTGWBPKL-VIFPVBQESA-N 1 1 153.225 1.950 10 0 ADAEMO C[C@@H]1CC[C@H]2CC[N@H+]2C1 72231489 572916624 /nfs/dbraw/zinc/91/66/24/572916624.db2.gz DDVLQNIMYKAQRQ-SFYZADRCSA-N 1 1 125.215 1.491 10 0 ADAEMO C[NH2+]C[C@@H](C)Cc1cnc(C)n1C 308188807 572916644 /nfs/dbraw/zinc/91/66/44/572916644.db2.gz LXSZMTUYFWWZSH-QMMMGPOBSA-N 1 1 181.283 1.127 10 0 ADAEMO C[NH2+]C[C@H](C)Cc1cnc(C)n1C 308188805 572916859 /nfs/dbraw/zinc/91/68/59/572916859.db2.gz LXSZMTUYFWWZSH-MRVPVSSYSA-N 1 1 181.283 1.127 10 0 ADAEMO C[C@@H]1C[NH2+]CCN(CC2(C)CCC2)C1 235402737 572916871 /nfs/dbraw/zinc/91/68/71/572916871.db2.gz ZZLWNIZCRZJYMP-LLVKDONJSA-N 1 1 196.338 1.718 10 0 ADAEMO OCCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 72236088 572916971 /nfs/dbraw/zinc/91/69/71/572916971.db2.gz ANASSHNCMPIITJ-WRWGMCAJSA-N 1 1 193.290 1.123 10 0 ADAEMO CNC(C)(C)C[NH2+][C@@H](C)C1CCC1 308188495 572917300 /nfs/dbraw/zinc/91/73/00/572917300.db2.gz HMVDTTGOMRAWOZ-VIFPVBQESA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@@H]1CNCC[N@H+](C(C)(C)C2CC2)C1 235402580 572917484 /nfs/dbraw/zinc/91/74/84/572917484.db2.gz HBBFKNHVGJIMFI-SNVBAGLBSA-N 1 1 196.338 1.716 10 0 ADAEMO CC1CC([NH2+]C[C@H](N)CC2CC2)C1 308188887 572917516 /nfs/dbraw/zinc/91/75/16/572917516.db2.gz MBKJRJOOWKOEMD-LDGBHUKOSA-N 1 1 182.311 1.502 10 0 ADAEMO C1CN[C@@H]2[C@@H](C1)C[N@@H+]1CCCC[C@H]21 257641488 572917589 /nfs/dbraw/zinc/91/75/89/572917589.db2.gz HVHKVSMTGDALPW-HBNTYKKESA-N 1 1 180.295 1.223 10 0 ADAEMO Cc1cccc(C=[NH2+])n1 72230788 572917570 /nfs/dbraw/zinc/91/75/70/572917570.db2.gz PSEKYHGCRBSWAT-UHFFFAOYSA-N 1 1 120.155 1.388 10 0 ADAEMO C1C[NH2+][C@@H]2[C@@H](C1)C[N@@H+]1CCCC[C@H]21 257641488 572917585 /nfs/dbraw/zinc/91/75/85/572917585.db2.gz HVHKVSMTGDALPW-HBNTYKKESA-N 1 1 180.295 1.223 10 0 ADAEMO C1CN[C@@H]2[C@@H](C1)C[N@H+]1CCCC[C@H]21 257641488 572917586 /nfs/dbraw/zinc/91/75/86/572917586.db2.gz HVHKVSMTGDALPW-HBNTYKKESA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@H]1CC[N@H+]2CC[C@@H]2C1 72231451 572917540 /nfs/dbraw/zinc/91/75/40/572917540.db2.gz OGYYRGMZBZVDAQ-JGVFFNPUSA-N 1 1 125.215 1.491 10 0 ADAEMO Cn1ccnc1[C@@H]1CCCC[N@@H+]1C 75907147 572917549 /nfs/dbraw/zinc/91/75/49/572917549.db2.gz KGCIOLHOFLYZOH-VIFPVBQESA-N 1 1 179.267 1.577 10 0 ADAEMO Cn1ccnc1[C@@H]1CCCC[N@H+]1C 75907147 572917552 /nfs/dbraw/zinc/91/75/52/572917552.db2.gz KGCIOLHOFLYZOH-VIFPVBQESA-N 1 1 179.267 1.577 10 0 ADAEMO [NH3+]Cc1nnc(NCCC2CCC2)o1 236278022 572917689 /nfs/dbraw/zinc/91/76/89/572917689.db2.gz IUXPHAABUQNMEJ-UHFFFAOYSA-N 1 1 196.254 1.130 10 0 ADAEMO C[C@@H]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)N)C1 308189815 572917970 /nfs/dbraw/zinc/91/79/70/572917970.db2.gz INUHWUFIYKYSOE-DBIOUOCHSA-N 1 1 184.327 1.748 10 0 ADAEMO CCCCc1nc(N)cc(CC)[nH+]1 86323516 572918047 /nfs/dbraw/zinc/91/80/47/572918047.db2.gz OEXWVGDTICSXDQ-UHFFFAOYSA-N 1 1 179.267 1.964 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1[C@@H](N)c1ccon1 257656343 572918052 /nfs/dbraw/zinc/91/80/52/572918052.db2.gz FWNRCMAAPFLABX-ZJUUUORDSA-N 1 1 195.266 1.159 10 0 ADAEMO CCC[C@](C)(N)C[NH2+]CCCCF 308189555 572918063 /nfs/dbraw/zinc/91/80/63/572918063.db2.gz IIYGGMBBWHWTMM-JTQLQIEISA-N 1 1 190.306 1.843 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H]1[C@H]([NH3+])CC[N@H+]1C1CC1 714604218 572918089 /nfs/dbraw/zinc/91/80/89/572918089.db2.gz UHYOKKJPHLWWTJ-HKWIRBFKSA-N 1 1 194.322 1.597 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H]1[C@H](N)CC[N@@H+]1C1CC1 714604218 572918090 /nfs/dbraw/zinc/91/80/90/572918090.db2.gz UHYOKKJPHLWWTJ-HKWIRBFKSA-N 1 1 194.322 1.597 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H]1[C@H](N)CC[N@H+]1C1CC1 714604218 572918092 /nfs/dbraw/zinc/91/80/92/572918092.db2.gz UHYOKKJPHLWWTJ-HKWIRBFKSA-N 1 1 194.322 1.597 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H]1[C@H]([NH3+])CCN1C1CC1 714604218 572918094 /nfs/dbraw/zinc/91/80/94/572918094.db2.gz UHYOKKJPHLWWTJ-HKWIRBFKSA-N 1 1 194.322 1.597 10 0 ADAEMO C[N@@H+]1CCC[C@@H]1[C@@H](N)Cc1ccco1 257656328 572918197 /nfs/dbraw/zinc/91/81/97/572918197.db2.gz DKIDVVWFRPIOQG-WDEREUQCSA-N 1 1 194.278 1.244 10 0 ADAEMO COC(C[N@@H+](C)[C@@H]1C=CCCC1)OC 714604938 572918248 /nfs/dbraw/zinc/91/82/48/572918248.db2.gz BXEJETXWOIOSJS-SNVBAGLBSA-N 1 1 199.294 1.646 10 0 ADAEMO CCCC[C@@H]([NH3+])Cc1cnccc1N 86322791 572918392 /nfs/dbraw/zinc/91/83/92/572918392.db2.gz VHSMPRQOHZXBQQ-SNVBAGLBSA-N 1 1 193.294 1.724 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H]1[C@@H]([NH3+])CC[N@H+]1C1CC1 714604219 572918821 /nfs/dbraw/zinc/91/88/21/572918821.db2.gz UHYOKKJPHLWWTJ-KLHWPWHYSA-N 1 1 194.322 1.597 10 0 ADAEMO C[N@@H+]1CCC[C@H]1[C@@H](N)Cc1ccco1 257656327 572918603 /nfs/dbraw/zinc/91/86/03/572918603.db2.gz DKIDVVWFRPIOQG-QWRGUYRKSA-N 1 1 194.278 1.244 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H]1[C@@H](N)CC[N@@H+]1C1CC1 714604219 572918823 /nfs/dbraw/zinc/91/88/23/572918823.db2.gz UHYOKKJPHLWWTJ-KLHWPWHYSA-N 1 1 194.322 1.597 10 0 ADAEMO [NH3+]Cc1nnc(NCCCC2CC2)o1 236278129 572918637 /nfs/dbraw/zinc/91/86/37/572918637.db2.gz CTKIXWAGBHBTCK-UHFFFAOYSA-N 1 1 196.254 1.130 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H]1[C@@H](N)CC[N@H+]1C1CC1 714604219 572918826 /nfs/dbraw/zinc/91/88/26/572918826.db2.gz UHYOKKJPHLWWTJ-KLHWPWHYSA-N 1 1 194.322 1.597 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H]1[C@@H]([NH3+])CCN1C1CC1 714604219 572918828 /nfs/dbraw/zinc/91/88/28/572918828.db2.gz UHYOKKJPHLWWTJ-KLHWPWHYSA-N 1 1 194.322 1.597 10 0 ADAEMO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@@H](C)N 308189818 572919042 /nfs/dbraw/zinc/91/90/42/572919042.db2.gz INUHWUFIYKYSOE-ZNSHCXBVSA-N 1 1 184.327 1.748 10 0 ADAEMO C[C@@H]1C[C@@](O)(C2=CCCCC2)C[N@H+]1C 235410627 572919080 /nfs/dbraw/zinc/91/90/80/572919080.db2.gz DVDMAHREVDFYEM-PWSUYJOCSA-N 1 1 195.306 1.942 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H](N)c2ccon2)C1 257656365 572919244 /nfs/dbraw/zinc/91/92/44/572919244.db2.gz LJICLFNAPGWBLV-WCBMZHEXSA-N 1 1 195.266 1.016 10 0 ADAEMO CCCC[C@H]([NH3+])Cc1cnccc1N 86322787 572919309 /nfs/dbraw/zinc/91/93/09/572919309.db2.gz VHSMPRQOHZXBQQ-JTQLQIEISA-N 1 1 193.294 1.724 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@@H](N)c2ccon2)C1 257656364 572919387 /nfs/dbraw/zinc/91/93/87/572919387.db2.gz LJICLFNAPGWBLV-PSASIEDQSA-N 1 1 195.266 1.016 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H](N)c2cnoc2)C1 257656381 572919459 /nfs/dbraw/zinc/91/94/59/572919459.db2.gz PTJAKSZBFXGEOT-WCBMZHEXSA-N 1 1 195.266 1.016 10 0 ADAEMO CC(C)[N@@H+](CCN)CCCCCF 308189347 572919536 /nfs/dbraw/zinc/91/95/36/572919536.db2.gz MOVMFCNRHDTVMQ-UHFFFAOYSA-N 1 1 190.306 1.795 10 0 ADAEMO CC(C)N(CC[NH3+])CCCCCF 308189347 572919540 /nfs/dbraw/zinc/91/95/40/572919540.db2.gz MOVMFCNRHDTVMQ-UHFFFAOYSA-N 1 1 190.306 1.795 10 0 ADAEMO C/C=C/c1nnc([C@@H]([NH3+])CC2CC2)o1 238069157 572919594 /nfs/dbraw/zinc/91/95/94/572919594.db2.gz ZBQIVSFNQCXJFK-SGJFDWMWSA-N 1 1 193.250 1.903 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C1 308189816 572919601 /nfs/dbraw/zinc/91/96/01/572919601.db2.gz INUHWUFIYKYSOE-RCWTZXSCSA-N 1 1 184.327 1.748 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1[C@@H](N)c1cnoc1 257656531 572919666 /nfs/dbraw/zinc/91/96/66/572919666.db2.gz TWDNQWZKBMSEIT-ZJUUUORDSA-N 1 1 195.266 1.159 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1[C@@H](N)c1cnoc1 257656531 572919668 /nfs/dbraw/zinc/91/96/68/572919668.db2.gz TWDNQWZKBMSEIT-ZJUUUORDSA-N 1 1 195.266 1.159 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@@H](N)c2cnoc2)C1 257656380 572919760 /nfs/dbraw/zinc/91/97/60/572919760.db2.gz PTJAKSZBFXGEOT-PSASIEDQSA-N 1 1 195.266 1.016 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+]C[C@H]1CC[C@@H](C)C1 308189817 572919827 /nfs/dbraw/zinc/91/98/27/572919827.db2.gz INUHWUFIYKYSOE-YTWAJWBKSA-N 1 1 184.327 1.748 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1[C@@H](N)c1cnoc1 257656529 572919832 /nfs/dbraw/zinc/91/98/32/572919832.db2.gz TWDNQWZKBMSEIT-UWVGGRQHSA-N 1 1 195.266 1.159 10 0 ADAEMO C[N@H+]1CCCC[C@H]1[C@@H](N)c1cnoc1 257656529 572919835 /nfs/dbraw/zinc/91/98/35/572919835.db2.gz TWDNQWZKBMSEIT-UWVGGRQHSA-N 1 1 195.266 1.159 10 0 ADAEMO C[N@H+]1CCCC[C@H]1[C@@H](N)c1ccon1 257656342 572920103 /nfs/dbraw/zinc/92/01/03/572920103.db2.gz FWNRCMAAPFLABX-UWVGGRQHSA-N 1 1 195.266 1.159 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@@H]1[C@@H]([NH3+])CC[N@H+]1C1CC1 714604220 572920245 /nfs/dbraw/zinc/92/02/45/572920245.db2.gz UHYOKKJPHLWWTJ-QTKMDUPCSA-N 1 1 194.322 1.597 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@@H]1[C@@H](N)CC[N@@H+]1C1CC1 714604220 572920246 /nfs/dbraw/zinc/92/02/46/572920246.db2.gz UHYOKKJPHLWWTJ-QTKMDUPCSA-N 1 1 194.322 1.597 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@@H]1[C@@H](N)CC[N@H+]1C1CC1 714604220 572920247 /nfs/dbraw/zinc/92/02/47/572920247.db2.gz UHYOKKJPHLWWTJ-QTKMDUPCSA-N 1 1 194.322 1.597 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@@H]1[C@@H]([NH3+])CCN1C1CC1 714604220 572920249 /nfs/dbraw/zinc/92/02/49/572920249.db2.gz UHYOKKJPHLWWTJ-QTKMDUPCSA-N 1 1 194.322 1.597 10 0 ADAEMO CC[C@H](CC[NH+]1CCOCC1)C(C)=O 86353791 572920644 /nfs/dbraw/zinc/92/06/44/572920644.db2.gz SYOLZIPIAFFPTF-LLVKDONJSA-N 1 1 199.294 1.324 10 0 ADAEMO CCC[C@@H]([NH3+])[C@H]1CCCN1C 83962700 572920788 /nfs/dbraw/zinc/92/07/88/572920788.db2.gz WOLIQQZYFKKYKN-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H](N)[C@H]1CCC[N@@H+]1C 83962700 572920791 /nfs/dbraw/zinc/92/07/91/572920791.db2.gz WOLIQQZYFKKYKN-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H](N)[C@H]1CCC[N@H+]1C 83962700 572920792 /nfs/dbraw/zinc/92/07/92/572920792.db2.gz WOLIQQZYFKKYKN-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO Cc1nnc([C@@H]2CCCC[N@H+]2C)o1 72381242 572921251 /nfs/dbraw/zinc/92/12/51/572921251.db2.gz JEUZKAVPNBEBLJ-QMMMGPOBSA-N 1 1 181.239 1.535 10 0 ADAEMO C[N@@H+]1CCC[C@@H]1[C@@H](N)C(C)(C)C 83963427 572920938 /nfs/dbraw/zinc/92/09/38/572920938.db2.gz LFIHQCWVURDYTL-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@@H](N)C(C)(C)C 83963427 572920941 /nfs/dbraw/zinc/92/09/41/572920941.db2.gz LFIHQCWVURDYTL-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@@H](CC[NH+]1CCOCC1)C(C)=O 86353788 572920961 /nfs/dbraw/zinc/92/09/61/572920961.db2.gz SYOLZIPIAFFPTF-NSHDSACASA-N 1 1 199.294 1.324 10 0 ADAEMO C[N@@H+]1CCC[C@H]1[C@@H](N)C(C)(C)C 83963425 572921020 /nfs/dbraw/zinc/92/10/20/572921020.db2.gz LFIHQCWVURDYTL-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](N)C(C)(C)C 83963425 572921023 /nfs/dbraw/zinc/92/10/23/572921023.db2.gz LFIHQCWVURDYTL-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[N@@H+](CCN)[C@H](C)CCOC 162337619 572921048 /nfs/dbraw/zinc/92/10/48/572921048.db2.gz DIBRHGMDSWLBSW-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CCCN(CC[NH3+])[C@H](C)CCOC 162337619 572921052 /nfs/dbraw/zinc/92/10/52/572921052.db2.gz DIBRHGMDSWLBSW-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO Cc1nnc([C@@H]2CCCC[N@@H+]2C)o1 72381242 572921253 /nfs/dbraw/zinc/92/12/53/572921253.db2.gz JEUZKAVPNBEBLJ-QMMMGPOBSA-N 1 1 181.239 1.535 10 0 ADAEMO C/C=C\CN[C@H](C)C[N@H+](C)C(C)C 308192561 572921222 /nfs/dbraw/zinc/92/12/22/572921222.db2.gz KNHJUJIDEUSAGD-JMEBYUIHSA-N 1 1 184.327 1.881 10 0 ADAEMO C/C=C\CN[C@H](C)C[N@@H+](C)C(C)C 308192561 572921225 /nfs/dbraw/zinc/92/12/25/572921225.db2.gz KNHJUJIDEUSAGD-JMEBYUIHSA-N 1 1 184.327 1.881 10 0 ADAEMO CC(C)[C@H](N)[C@H]1CCC[N@@H+]1C 83962703 572921235 /nfs/dbraw/zinc/92/12/35/572921235.db2.gz OSIXDNHIBGVTCE-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@H](N)[C@H]1CCC[N@H+]1C 83962703 572921237 /nfs/dbraw/zinc/92/12/37/572921237.db2.gz OSIXDNHIBGVTCE-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@H]([NH3+])[C@H]1CCCN1C 83962703 572921241 /nfs/dbraw/zinc/92/12/41/572921241.db2.gz OSIXDNHIBGVTCE-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@@H](N)[C@@H]1CCC[N@@H+]1C 83962702 572921422 /nfs/dbraw/zinc/92/14/22/572921422.db2.gz OSIXDNHIBGVTCE-DTWKUNHWSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@@H](N)[C@@H]1CCC[N@H+]1C 83962702 572921425 /nfs/dbraw/zinc/92/14/25/572921425.db2.gz OSIXDNHIBGVTCE-DTWKUNHWSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@@H]([NH3+])[C@@H]1CCCN1C 83962702 572921427 /nfs/dbraw/zinc/92/14/27/572921427.db2.gz OSIXDNHIBGVTCE-DTWKUNHWSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)C[C@H](N)C[NH2+]CCCCF 308192946 572921469 /nfs/dbraw/zinc/92/14/69/572921469.db2.gz KTFIXKLUAHJKRO-JTQLQIEISA-N 1 1 190.306 1.699 10 0 ADAEMO CN(CC1CC1)C[C@@H]([NH3+])CC1CC1 308192375 572921499 /nfs/dbraw/zinc/92/14/99/572921499.db2.gz OSBBQCBGDZPTDJ-NSHDSACASA-N 1 1 182.311 1.456 10 0 ADAEMO C[N@@H+](CC1CC1)C[C@@H](N)CC1CC1 308192375 572921500 /nfs/dbraw/zinc/92/15/00/572921500.db2.gz OSBBQCBGDZPTDJ-NSHDSACASA-N 1 1 182.311 1.456 10 0 ADAEMO C[N@H+](CC1CC1)C[C@@H](N)CC1CC1 308192375 572921501 /nfs/dbraw/zinc/92/15/01/572921501.db2.gz OSBBQCBGDZPTDJ-NSHDSACASA-N 1 1 182.311 1.456 10 0 ADAEMO CC(C)[C@H](N)[C@@H]1CCC[N@@H+]1C 83962701 572921568 /nfs/dbraw/zinc/92/15/68/572921568.db2.gz OSIXDNHIBGVTCE-IUCAKERBSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@H](N)[C@@H]1CCC[N@H+]1C 83962701 572921572 /nfs/dbraw/zinc/92/15/72/572921572.db2.gz OSIXDNHIBGVTCE-IUCAKERBSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@H]([NH3+])[C@@H]1CCCN1C 83962701 572921573 /nfs/dbraw/zinc/92/15/73/572921573.db2.gz OSIXDNHIBGVTCE-IUCAKERBSA-N 1 1 156.273 1.064 10 0 ADAEMO C[N@@H+]1CCC[C@@H]1[C@H](N)C(C)(C)C 83963428 572921685 /nfs/dbraw/zinc/92/16/85/572921685.db2.gz LFIHQCWVURDYTL-BDAKNGLRSA-N 1 1 170.300 1.454 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@H](N)C(C)(C)C 83963428 572921687 /nfs/dbraw/zinc/92/16/87/572921687.db2.gz LFIHQCWVURDYTL-BDAKNGLRSA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[C@H]([NH3+])[C@@H]1CCCN1C 83962697 572921782 /nfs/dbraw/zinc/92/17/82/572921782.db2.gz WOLIQQZYFKKYKN-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H](N)[C@@H]1CCC[N@@H+]1C 83962697 572921785 /nfs/dbraw/zinc/92/17/85/572921785.db2.gz WOLIQQZYFKKYKN-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H](N)[C@@H]1CCC[N@H+]1C 83962697 572921788 /nfs/dbraw/zinc/92/17/88/572921788.db2.gz WOLIQQZYFKKYKN-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H]([NH3+])[C@H]1CCCN1C 83962699 572921935 /nfs/dbraw/zinc/92/19/35/572921935.db2.gz WOLIQQZYFKKYKN-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H](N)[C@H]1CCC[N@@H+]1C 83962699 572921938 /nfs/dbraw/zinc/92/19/38/572921938.db2.gz WOLIQQZYFKKYKN-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H](N)[C@H]1CCC[N@H+]1C 83962699 572921939 /nfs/dbraw/zinc/92/19/39/572921939.db2.gz WOLIQQZYFKKYKN-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO C=C/C=C/CC[N@@H+]1CC[C@H](O)C[C@@H]1C 713638773 572921958 /nfs/dbraw/zinc/92/19/58/572921958.db2.gz COORRBQEENCPHN-XMXMHJJKSA-N 1 1 195.306 1.964 10 0 ADAEMO FC(F)[C@@H]([NH2+][C@H]1CCOC1)C1CC1 308190458 572922038 /nfs/dbraw/zinc/92/20/38/572922038.db2.gz NJIJJYJITIOMIC-YUMQZZPRSA-N 1 1 191.221 1.409 10 0 ADAEMO C=C/C=C/CC[N@@H+]1CC[C@H](O)C[C@H]1C 713638771 572922147 /nfs/dbraw/zinc/92/21/47/572922147.db2.gz COORRBQEENCPHN-RVAOTSRCSA-N 1 1 195.306 1.964 10 0 ADAEMO C[N@@H+]1CCC[C@H]1[C@H](N)C(C)(C)C 83963426 572922227 /nfs/dbraw/zinc/92/22/27/572922227.db2.gz LFIHQCWVURDYTL-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@H](N)C(C)(C)C 83963426 572922229 /nfs/dbraw/zinc/92/22/29/572922229.db2.gz LFIHQCWVURDYTL-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO C=C/C=C\CC[N@@H+]1CC[C@H](O)C[C@H]1C 713638769 572922233 /nfs/dbraw/zinc/92/22/33/572922233.db2.gz COORRBQEENCPHN-JYYSYOFASA-N 1 1 195.306 1.964 10 0 ADAEMO Cc1nnc([C@H]2CCCC[N@H+]2C)o1 72381243 572922259 /nfs/dbraw/zinc/92/22/59/572922259.db2.gz JEUZKAVPNBEBLJ-MRVPVSSYSA-N 1 1 181.239 1.535 10 0 ADAEMO Cc1nnc([C@H]2CCCC[N@@H+]2C)o1 72381243 572922260 /nfs/dbraw/zinc/92/22/60/572922260.db2.gz JEUZKAVPNBEBLJ-MRVPVSSYSA-N 1 1 181.239 1.535 10 0 ADAEMO CC(C)[C@@H](N)[C@H]1CCC[N@@H+]1C 83962704 572922504 /nfs/dbraw/zinc/92/25/04/572922504.db2.gz OSIXDNHIBGVTCE-RKDXNWHRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@@H](N)[C@H]1CCC[N@H+]1C 83962704 572922506 /nfs/dbraw/zinc/92/25/06/572922506.db2.gz OSIXDNHIBGVTCE-RKDXNWHRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@@H]([NH3+])[C@H]1CCCN1C 83962704 572922509 /nfs/dbraw/zinc/92/25/09/572922509.db2.gz OSIXDNHIBGVTCE-RKDXNWHRSA-N 1 1 156.273 1.064 10 0 ADAEMO CCC[C@@H]([NH3+])[C@@H]1CCCN1C 83962698 572922603 /nfs/dbraw/zinc/92/26/03/572922603.db2.gz WOLIQQZYFKKYKN-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H](N)[C@@H]1CCC[N@@H+]1C 83962698 572922607 /nfs/dbraw/zinc/92/26/07/572922607.db2.gz WOLIQQZYFKKYKN-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H](N)[C@@H]1CCC[N@H+]1C 83962698 572922609 /nfs/dbraw/zinc/92/26/09/572922609.db2.gz WOLIQQZYFKKYKN-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC(=O)[C@@H](C)CC[NH+]1CCOCC1 86356955 572922960 /nfs/dbraw/zinc/92/29/60/572922960.db2.gz GKDPJOJMMBJYIX-JTQLQIEISA-N 1 1 199.294 1.324 10 0 ADAEMO CN(CC1CC1)C[C@H]([NH3+])CC1CC1 308192374 572922802 /nfs/dbraw/zinc/92/28/02/572922802.db2.gz OSBBQCBGDZPTDJ-LLVKDONJSA-N 1 1 182.311 1.456 10 0 ADAEMO C[N@@H+](CC1CC1)C[C@H](N)CC1CC1 308192374 572922803 /nfs/dbraw/zinc/92/28/03/572922803.db2.gz OSBBQCBGDZPTDJ-LLVKDONJSA-N 1 1 182.311 1.456 10 0 ADAEMO C[N@H+](CC1CC1)C[C@H](N)CC1CC1 308192374 572922805 /nfs/dbraw/zinc/92/28/05/572922805.db2.gz OSBBQCBGDZPTDJ-LLVKDONJSA-N 1 1 182.311 1.456 10 0 ADAEMO C=C/C=C\CC[N@@H+]1CC[C@H](O)C[C@@H]1C 713638766 572923349 /nfs/dbraw/zinc/92/33/49/572923349.db2.gz COORRBQEENCPHN-DFPOMNKCSA-N 1 1 195.306 1.964 10 0 ADAEMO CCC(=O)[C@H](C)CC[NH+]1CCOCC1 86356957 572922856 /nfs/dbraw/zinc/92/28/56/572922856.db2.gz GKDPJOJMMBJYIX-SNVBAGLBSA-N 1 1 199.294 1.324 10 0 ADAEMO C[NH2+][C@@H](C(=O)OC)[C@H](C)C(C)(C)C 308194401 572922968 /nfs/dbraw/zinc/92/29/68/572922968.db2.gz PVRIRMMIPGUOTG-JGVFFNPUSA-N 1 1 187.283 1.430 10 0 ADAEMO C=C/C=C/CC[N@@H+](C)CCCCO 713638737 572923188 /nfs/dbraw/zinc/92/31/88/572923188.db2.gz BVYSBGSHKJUMLV-SNAWJCMRSA-N 1 1 183.295 1.823 10 0 ADAEMO CC[N@@H+](CC(C)(C)C)CC1(N)CC1 308194599 572923382 /nfs/dbraw/zinc/92/33/82/572923382.db2.gz LSJXBARUHJFTPA-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CCN(CC(C)(C)C)CC1([NH3+])CC1 308194599 572923384 /nfs/dbraw/zinc/92/33/84/572923384.db2.gz LSJXBARUHJFTPA-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO C=C/C=C\CC[N@@H+](C)CCCCO 713638736 572923502 /nfs/dbraw/zinc/92/35/02/572923502.db2.gz BVYSBGSHKJUMLV-PLNGDYQASA-N 1 1 183.295 1.823 10 0 ADAEMO C[NH2+][C@@H](C(=O)OC)[C@@H](C)C(C)(C)C 308194400 572923594 /nfs/dbraw/zinc/92/35/94/572923594.db2.gz PVRIRMMIPGUOTG-HTQZYQBOSA-N 1 1 187.283 1.430 10 0 ADAEMO C[C@@H]1c2ccc(N)cc2CC[N@@H+]1C 141200195 572923818 /nfs/dbraw/zinc/92/38/18/572923818.db2.gz PVIDUVADVHYWRV-MRVPVSSYSA-N 1 1 176.263 1.818 10 0 ADAEMO C[N@@H+](C[C@@H](O)C1CCCC1)C1CC1 158405965 572923830 /nfs/dbraw/zinc/92/38/30/572923830.db2.gz PMJZCPOOLRLLNX-LLVKDONJSA-N 1 1 183.295 1.632 10 0 ADAEMO C[NH2+][C@H](C(=O)OC)[C@H](C)C(C)(C)C 308194403 572923852 /nfs/dbraw/zinc/92/38/52/572923852.db2.gz PVRIRMMIPGUOTG-YUMQZZPRSA-N 1 1 187.283 1.430 10 0 ADAEMO C[NH2+][C@H](C(=O)OC)[C@@H](C)C(C)(C)C 308194402 572924454 /nfs/dbraw/zinc/92/44/54/572924454.db2.gz PVRIRMMIPGUOTG-SFYZADRCSA-N 1 1 187.283 1.430 10 0 ADAEMO CC(C)COC(=O)[C@@H]([NH3+])CC1CC1 308193503 572924763 /nfs/dbraw/zinc/92/47/63/572924763.db2.gz PHEBYYKMHUCNPX-VIFPVBQESA-N 1 1 185.267 1.313 10 0 ADAEMO CCOC(=O)CCC[N@@H+](C)CC 308194810 572925462 /nfs/dbraw/zinc/92/54/62/572925462.db2.gz RIGHZJHQVZYGKB-UHFFFAOYSA-N 1 1 173.256 1.281 10 0 ADAEMO C[C@H]1c2ccc(N)cc2CC[N@@H+]1C 141200020 572925318 /nfs/dbraw/zinc/92/53/18/572925318.db2.gz PVIDUVADVHYWRV-QMMMGPOBSA-N 1 1 176.263 1.818 10 0 ADAEMO OCCCCC[N@H+]1CCC[C@@H]2C[C@@H]21 308191473 572925713 /nfs/dbraw/zinc/92/57/13/572925713.db2.gz OKJKHLPKQRCCPR-MNOVXSKESA-N 1 1 183.295 1.633 10 0 ADAEMO CC[NH2+][C@H](C)c1c[nH]c(COC)n1 308191296 572925905 /nfs/dbraw/zinc/92/59/05/572925905.db2.gz NUTSNZMJRWSLCO-SSDOTTSWSA-N 1 1 183.255 1.227 10 0 ADAEMO CCC[NH2+][C@@H](C)c1c[nH]c(NC)n1 308194778 572926179 /nfs/dbraw/zinc/92/61/79/572926179.db2.gz QELRLRYGSOWJPZ-ZETCQYMHSA-N 1 1 182.271 1.512 10 0 ADAEMO [NH3+][C@@H](CC1CC1)C(=O)OCC1CC1 308195052 572926230 /nfs/dbraw/zinc/92/62/30/572926230.db2.gz QKUVDLLDVFLMSL-VIFPVBQESA-N 1 1 183.251 1.067 10 0 ADAEMO CC[NH2+]C[C@H]1CCCN1[C@H](C)CC 86386646 572926359 /nfs/dbraw/zinc/92/63/59/572926359.db2.gz CANHJEBJZOJRET-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO OCCCCC[N@H+]1CCC[C@H]2C[C@H]21 308191475 572926380 /nfs/dbraw/zinc/92/63/80/572926380.db2.gz OKJKHLPKQRCCPR-WDEREUQCSA-N 1 1 183.295 1.633 10 0 ADAEMO CC[NH2+]C[C@H]1CCCN1[C@@H](C)CC 86386647 572926538 /nfs/dbraw/zinc/92/65/38/572926538.db2.gz CANHJEBJZOJRET-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[NH2+][C@@H](C)c1c[nH]c(COC)n1 308191297 572926608 /nfs/dbraw/zinc/92/66/08/572926608.db2.gz NUTSNZMJRWSLCO-ZETCQYMHSA-N 1 1 183.255 1.227 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@@H](N)c1ccccc1 141170701 572927288 /nfs/dbraw/zinc/92/72/88/572927288.db2.gz ZGDTTXICYSMOTA-NEPJUHHUSA-N 1 1 190.290 1.781 10 0 ADAEMO CN1CCC[C@@H]1[C@@H]([NH3+])c1ccccc1 141170701 572927292 /nfs/dbraw/zinc/92/72/92/572927292.db2.gz ZGDTTXICYSMOTA-NEPJUHHUSA-N 1 1 190.290 1.781 10 0 ADAEMO NC[C@@H]([NH3+])Cc1cc2ccccc2o1 141274740 572927368 /nfs/dbraw/zinc/92/73/68/572927368.db2.gz VKBMJFOGWGRRJM-VIFPVBQESA-N 1 1 190.246 1.261 10 0 ADAEMO C=COCCC[NH2+]CC(C)(C)NC 308198850 572927420 /nfs/dbraw/zinc/92/74/20/572927420.db2.gz OQYUIKXITZMDJP-UHFFFAOYSA-N 1 1 186.299 1.124 10 0 ADAEMO C=COCCCNCC(C)(C)[NH2+]C 308198850 572927423 /nfs/dbraw/zinc/92/74/23/572927423.db2.gz OQYUIKXITZMDJP-UHFFFAOYSA-N 1 1 186.299 1.124 10 0 ADAEMO NC[C@H]([NH3+])Cc1cc2ccccc2o1 141274930 572927542 /nfs/dbraw/zinc/92/75/42/572927542.db2.gz VKBMJFOGWGRRJM-SECBINFHSA-N 1 1 190.246 1.261 10 0 ADAEMO CCCC1(C[NH2+][C@H](C)[C@H](C)N)CC1 308200917 572928073 /nfs/dbraw/zinc/92/80/73/572928073.db2.gz PTRGDKHVWSUTSF-VHSXEESVSA-N 1 1 184.327 1.892 10 0 ADAEMO [NH3+]C[C@@H]1CCCC[N@@H+](CCCF)C1 308201544 572928077 /nfs/dbraw/zinc/92/80/77/572928077.db2.gz QEPHGPDTVAXQNH-JTQLQIEISA-N 1 1 188.290 1.407 10 0 ADAEMO CCC(CC)(CNC)[NH+]1CCCC1 308207236 572928089 /nfs/dbraw/zinc/92/80/89/572928089.db2.gz UKEHIXHOBRVASC-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](N)c1ccccc1 141170943 572928177 /nfs/dbraw/zinc/92/81/77/572928177.db2.gz ZGDTTXICYSMOTA-RYUDHWBXSA-N 1 1 190.290 1.781 10 0 ADAEMO CN1CCC[C@H]1[C@@H]([NH3+])c1ccccc1 141170943 572928179 /nfs/dbraw/zinc/92/81/79/572928179.db2.gz ZGDTTXICYSMOTA-RYUDHWBXSA-N 1 1 190.290 1.781 10 0 ADAEMO OCC[C@H]1CCCCC[N@H+]1CCF 308201677 572928430 /nfs/dbraw/zinc/92/84/30/572928430.db2.gz YTKIYEILKQZBRF-SNVBAGLBSA-N 1 1 189.274 1.583 10 0 ADAEMO OCC[C@@H]1CCCCC[N@H+]1CCF 308201676 572929497 /nfs/dbraw/zinc/92/94/97/572929497.db2.gz YTKIYEILKQZBRF-JTQLQIEISA-N 1 1 189.274 1.583 10 0 ADAEMO CCCC1(C[NH2+][C@@H](C)[C@@H](C)N)CC1 308200918 572928528 /nfs/dbraw/zinc/92/85/28/572928528.db2.gz PTRGDKHVWSUTSF-ZJUUUORDSA-N 1 1 184.327 1.892 10 0 ADAEMO CCCCOCCNCC(C)(C)[NH3+] 308200767 572928565 /nfs/dbraw/zinc/92/85/65/572928565.db2.gz PQOIXYGPGXXNSU-UHFFFAOYSA-N 1 1 188.315 1.130 10 0 ADAEMO CCc1noc([C@H]([NH3+])CC2CC2)n1 308200950 572928583 /nfs/dbraw/zinc/92/85/83/572928583.db2.gz UZJXYPQAQXFICW-SSDOTTSWSA-N 1 1 181.239 1.432 10 0 ADAEMO [NH3+]C[C@H]1CCCC[N@@H+](CCCF)C1 308201545 572928757 /nfs/dbraw/zinc/92/87/57/572928757.db2.gz QEPHGPDTVAXQNH-SNVBAGLBSA-N 1 1 188.290 1.407 10 0 ADAEMO CC(C)(C)OC(=O)[C@@H]([NH3+])C1=CCC1 238094162 572928821 /nfs/dbraw/zinc/92/88/21/572928821.db2.gz HNTBTTQJNQDSNF-QMMMGPOBSA-N 1 1 183.251 1.376 10 0 ADAEMO CC[C@H](C)[C@H]([NH3+])C(C)(C)N(C)C 86392542 572929362 /nfs/dbraw/zinc/92/93/62/572929362.db2.gz YFXJQOHHLLTHOE-IUCAKERBSA-N 1 1 172.316 1.700 10 0 ADAEMO CCC1(C[NH2+][C@H](C)[C@@H](C)N)CCC1 308201133 572929649 /nfs/dbraw/zinc/92/96/49/572929649.db2.gz PWELYLICZSMYNE-NXEZZACHSA-N 1 1 184.327 1.892 10 0 ADAEMO CCC1(C[NH2+][C@@H](C)[C@H](C)N)CCC1 308201134 572929668 /nfs/dbraw/zinc/92/96/68/572929668.db2.gz PWELYLICZSMYNE-UWVGGRQHSA-N 1 1 184.327 1.892 10 0 ADAEMO CC[C@@H](C)[C@@H]([NH3+])C(C)(C)N(C)C 86392544 572929867 /nfs/dbraw/zinc/92/98/67/572929867.db2.gz YFXJQOHHLLTHOE-RKDXNWHRSA-N 1 1 172.316 1.700 10 0 ADAEMO CC(C)(C)OC(=O)[C@H]([NH3+])C1=CCC1 238098511 572930163 /nfs/dbraw/zinc/93/01/63/572930163.db2.gz HNTBTTQJNQDSNF-MRVPVSSYSA-N 1 1 183.251 1.376 10 0 ADAEMO CC[C@H](C)[C@@H]([NH3+])C(C)(C)N(C)C 86392547 572930086 /nfs/dbraw/zinc/93/00/86/572930086.db2.gz YFXJQOHHLLTHOE-DTWKUNHWSA-N 1 1 172.316 1.700 10 0 ADAEMO CC[C@@H](C)[C@H]([NH3+])C(C)(C)N(C)C 86392540 572930106 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1.698 10 0 ADAEMO C=C/C=C\CC[N@@H+](CCC)CCN 713641314 572935556 /nfs/dbraw/zinc/93/55/56/572935556.db2.gz IJEGWJQHWKNXHY-WAYWQWQTSA-N 1 1 182.311 1.789 10 0 ADAEMO C=C/C=C\CCN(CCC)CC[NH3+] 713641314 572935560 /nfs/dbraw/zinc/93/55/60/572935560.db2.gz IJEGWJQHWKNXHY-WAYWQWQTSA-N 1 1 182.311 1.789 10 0 ADAEMO CC(C)[C@@H]1C[N@H+](CCCF)CCN1 88027230 572935599 /nfs/dbraw/zinc/93/55/99/572935599.db2.gz YAKMKGUAXKZSGM-JTQLQIEISA-N 1 1 188.290 1.276 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](CCCF)CCN1 88027230 572935600 /nfs/dbraw/zinc/93/56/00/572935600.db2.gz YAKMKGUAXKZSGM-JTQLQIEISA-N 1 1 188.290 1.276 10 0 ADAEMO C/C=C/C[N@@H+](C)CCCNC(C)=O 308205809 572935716 /nfs/dbraw/zinc/93/57/16/572935716.db2.gz YTOGMSILOCQJKL-SNAWJCMRSA-N 1 1 184.283 1.021 10 0 ADAEMO CC(C)CC(=O)NC[NH+]1CCCCC1 238122136 572935742 /nfs/dbraw/zinc/93/57/42/572935742.db2.gz WYXZSPWZHAYFOC-UHFFFAOYSA-N 1 1 198.310 1.592 10 0 ADAEMO CCC(=O)CC[N@H+]1CCC[C@H]2C[C@H]21 308205474 572935753 /nfs/dbraw/zinc/93/57/53/572935753.db2.gz YNKXERUJYGPZMM-GXSJLCMTSA-N 1 1 181.279 1.840 10 0 ADAEMO CCCC[C@H](O)c1c[nH+]c(C)n1C 308206758 572935800 /nfs/dbraw/zinc/93/58/00/572935800.db2.gz ZMFVDVUOBYYQFV-JTQLQIEISA-N 1 1 182.267 1.952 10 0 ADAEMO CC[C@@H]1C[N@H+](CCCF)[C@H](C)CN1 88027377 572935835 /nfs/dbraw/zinc/93/58/35/572935835.db2.gz QQNILLMQOGNWOG-NXEZZACHSA-N 1 1 188.290 1.418 10 0 ADAEMO CC[C@@H]1C[N@@H+](CCCF)[C@H](C)CN1 88027377 572935837 /nfs/dbraw/zinc/93/58/37/572935837.db2.gz QQNILLMQOGNWOG-NXEZZACHSA-N 1 1 188.290 1.418 10 0 ADAEMO CC[C@]1(C)C[N@H+](CCCF)CCN1 88027239 572935847 /nfs/dbraw/zinc/93/58/47/572935847.db2.gz BIWXNZWFTJYJBL-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO CC[C@]1(C)C[N@@H+](CCCF)CCN1 88027239 572935849 /nfs/dbraw/zinc/93/58/49/572935849.db2.gz BIWXNZWFTJYJBL-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO COCc1[nH+]cn(CC(C)C)c1N 308206876 572935867 /nfs/dbraw/zinc/93/58/67/572935867.db2.gz UDBYLJSGLSYHKY-UHFFFAOYSA-N 1 1 183.255 1.268 10 0 ADAEMO C[N@@H+](CCCF)CC1CC(O)C1 88026826 572935881 /nfs/dbraw/zinc/93/58/81/572935881.db2.gz FUJZZSQZNNCXGS-UHFFFAOYSA-N 1 1 175.247 1.049 10 0 ADAEMO C[C@@H](CCN(C)C)[NH2+]CCCF 88024741 572935895 /nfs/dbraw/zinc/93/58/95/572935895.db2.gz NLZRQVRCCJECTL-VIFPVBQESA-N 1 1 176.279 1.276 10 0 ADAEMO CCC(=O)CC[N@H+]1CCC[C@@H]2C[C@@H]21 308205475 572935897 /nfs/dbraw/zinc/93/58/97/572935897.db2.gz YNKXERUJYGPZMM-KOLCDFICSA-N 1 1 181.279 1.840 10 0 ADAEMO COC(=O)[C@@H]([NH3+])C[C@@H](C)C(C)(C)C 308206638 572935926 /nfs/dbraw/zinc/93/59/26/572935926.db2.gz ZIKUIEYQMGADDZ-SFYZADRCSA-N 1 1 187.283 1.559 10 0 ADAEMO CCC(=O)C[N@@H+](CC)[C@H]1CCOC1 308205640 572936485 /nfs/dbraw/zinc/93/64/85/572936485.db2.gz SNMIIHUEQSOPFC-VIFPVBQESA-N 1 1 185.267 1.076 10 0 ADAEMO CCC(=O)C[N@H+](CC)[C@H]1CCOC1 308205640 572936486 /nfs/dbraw/zinc/93/64/86/572936486.db2.gz SNMIIHUEQSOPFC-VIFPVBQESA-N 1 1 185.267 1.076 10 0 ADAEMO CC[C@@H]1C[N@H+](CCCF)CCN1 88027226 572936049 /nfs/dbraw/zinc/93/60/49/572936049.db2.gz DWMMINYMZIFIAD-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO CC[C@@H]1C[N@@H+](CCCF)CCN1 88027226 572936051 /nfs/dbraw/zinc/93/60/51/572936051.db2.gz DWMMINYMZIFIAD-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO FCCC[N@@H+]1CCNC[C@H]1C1CC1 88027270 572936068 /nfs/dbraw/zinc/93/60/68/572936068.db2.gz MKLQHPJBYLEUHY-JTQLQIEISA-N 1 1 186.274 1.030 10 0 ADAEMO FCCC[N@H+]1CCNC[C@H]1C1CC1 88027270 572936071 /nfs/dbraw/zinc/93/60/71/572936071.db2.gz MKLQHPJBYLEUHY-JTQLQIEISA-N 1 1 186.274 1.030 10 0 ADAEMO C/C=C\C[N@@H+](C)CCCNC(C)=O 308205808 572936106 /nfs/dbraw/zinc/93/61/06/572936106.db2.gz YTOGMSILOCQJKL-PLNGDYQASA-N 1 1 184.283 1.021 10 0 ADAEMO FCCC[N@@H+]1CCN[C@H](C2CC2)C1 88027232 572936309 /nfs/dbraw/zinc/93/63/09/572936309.db2.gz MBXNROJRWLJOFR-JTQLQIEISA-N 1 1 186.274 1.030 10 0 ADAEMO FCCC[N@H+]1CCN[C@H](C2CC2)C1 88027232 572936310 /nfs/dbraw/zinc/93/63/10/572936310.db2.gz MBXNROJRWLJOFR-JTQLQIEISA-N 1 1 186.274 1.030 10 0 ADAEMO CC[C@@H]1CN[C@@H](C)C[N@@H+]1CCCF 88027292 572936329 /nfs/dbraw/zinc/93/63/29/572936329.db2.gz RIYQSTQGTQTNLZ-VHSXEESVSA-N 1 1 188.290 1.418 10 0 ADAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1CCCF 88027292 572936330 /nfs/dbraw/zinc/93/63/30/572936330.db2.gz RIYQSTQGTQTNLZ-VHSXEESVSA-N 1 1 188.290 1.418 10 0 ADAEMO CC(C)[C@](C)(CN)[NH2+]CC(C)(C)F 308206637 572936672 /nfs/dbraw/zinc/93/66/72/572936672.db2.gz IKXRYEPLIZWAIX-JTQLQIEISA-N 1 1 190.306 1.698 10 0 ADAEMO CC[C@H](C)C[N@H+](CC)C[C@@H](C)NC 86437282 572937350 /nfs/dbraw/zinc/93/73/50/572937350.db2.gz RTTBETGANUVKAG-WDEREUQCSA-N 1 1 186.343 1.962 10 0 ADAEMO CC[C@H](C)C[N@@H+](CC)C[C@@H](C)NC 86437282 572937354 /nfs/dbraw/zinc/93/73/54/572937354.db2.gz RTTBETGANUVKAG-WDEREUQCSA-N 1 1 186.343 1.962 10 0 ADAEMO CC[C@@H]1CN(CCCF)CCC[NH2+]1 88027522 572937522 /nfs/dbraw/zinc/93/75/22/572937522.db2.gz OHXGRWQRXYMZFL-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO CCCCOC(=O)[C@@H]([NH3+])CC1CC1 308207292 572937577 /nfs/dbraw/zinc/93/75/77/572937577.db2.gz ZVCCQAQNYFACKJ-VIFPVBQESA-N 1 1 185.267 1.457 10 0 ADAEMO COC[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 308195578 572938123 /nfs/dbraw/zinc/93/81/23/572938123.db2.gz RYAAHMOHRQNYEM-NXEZZACHSA-N 1 1 189.274 1.703 10 0 ADAEMO CCC1([C@H](O)Cc2[nH]cc[nH+]2)CC1 308207115 572938665 /nfs/dbraw/zinc/93/86/65/572938665.db2.gz ISRUXSGDTNHSGR-MRVPVSSYSA-N 1 1 180.251 1.503 10 0 ADAEMO CC[C@H](C)C[N@@H+](CC)CCC(N)=O 86438480 572938761 /nfs/dbraw/zinc/93/87/61/572938761.db2.gz ZWXJTWCKAKPWSM-VIFPVBQESA-N 1 1 186.299 1.230 10 0 ADAEMO COC[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 308195580 572938765 /nfs/dbraw/zinc/93/87/65/572938765.db2.gz RYAAHMOHRQNYEM-VHSXEESVSA-N 1 1 189.274 1.703 10 0 ADAEMO CCC1([C@@H](O)Cc2[nH]cc[nH+]2)CC1 308207116 572938894 /nfs/dbraw/zinc/93/88/94/572938894.db2.gz ISRUXSGDTNHSGR-QMMMGPOBSA-N 1 1 180.251 1.503 10 0 ADAEMO CC[C@](C)(C[NH2+]C(C)(C)CN)OC 308196138 572938949 /nfs/dbraw/zinc/93/89/49/572938949.db2.gz RBZMAEWAGWBCAI-SNVBAGLBSA-N 1 1 188.315 1.128 10 0 ADAEMO Cc1ccc([C@@H]2C[C@@H]([NH3+])C(=O)O2)cc1 57936943 572939077 /nfs/dbraw/zinc/93/90/77/572939077.db2.gz MZYNIFUZZVCPQI-ZJUUUORDSA-N 1 1 191.230 1.310 10 0 ADAEMO Cc1ccc([C@@H]2C[C@H]([NH3+])C(=O)O2)cc1 57936936 572939097 /nfs/dbraw/zinc/93/90/97/572939097.db2.gz MZYNIFUZZVCPQI-UWVGGRQHSA-N 1 1 191.230 1.310 10 0 ADAEMO Cc1ccc([C@H]2C[C@@H]([NH3+])C(=O)O2)cc1 57936945 572939118 /nfs/dbraw/zinc/93/91/18/572939118.db2.gz MZYNIFUZZVCPQI-NXEZZACHSA-N 1 1 191.230 1.310 10 0 ADAEMO Cc1ccc([C@H]2C[C@H]([NH3+])C(=O)O2)cc1 57936940 572939177 /nfs/dbraw/zinc/93/91/77/572939177.db2.gz MZYNIFUZZVCPQI-VHSXEESVSA-N 1 1 191.230 1.310 10 0 ADAEMO CC[C@@H](C)C[N@@H+](CC)CC1(N)CC1 86440115 572939211 /nfs/dbraw/zinc/93/92/11/572939211.db2.gz HLUWSFDFDRGAQC-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H](C)C[N@@H+](CC)CC1(N)CC1 86440117 572939243 /nfs/dbraw/zinc/93/92/43/572939243.db2.gz HLUWSFDFDRGAQC-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H](C)C[N@H+](CC)[C@@H](C)CNC 86438977 572939304 /nfs/dbraw/zinc/93/93/04/572939304.db2.gz KCDYXZWOJQBSFF-QWRGUYRKSA-N 1 1 186.343 1.962 10 0 ADAEMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)CNC 86438977 572939305 /nfs/dbraw/zinc/93/93/05/572939305.db2.gz KCDYXZWOJQBSFF-QWRGUYRKSA-N 1 1 186.343 1.962 10 0 ADAEMO CC(C)C[C@@H](N)[C@H]([NH3+])CC(C)C 238139841 572939781 /nfs/dbraw/zinc/93/97/81/572939781.db2.gz LKIULKWWFDXWAO-NXEZZACHSA-N 1 1 172.316 1.733 10 0 ADAEMO CC(C)n1c[nH+]c2c1CC[C@@H](CO)C2 76088153 572939792 /nfs/dbraw/zinc/93/97/92/572939792.db2.gz KCXVCGUPQMMQKX-SECBINFHSA-N 1 1 194.278 1.561 10 0 ADAEMO C[C@@H]1CCCc2c1[nH+]cn2C 76087407 572940067 /nfs/dbraw/zinc/94/00/67/572940067.db2.gz VJXYGPKOPQNZHM-SSDOTTSWSA-N 1 1 150.225 1.860 10 0 ADAEMO CC[C@@H]1CC[C@@H](C)[N@H+](CCNC)C1 308196671 572940124 /nfs/dbraw/zinc/94/01/24/572940124.db2.gz RMPCNMMDVKZGAH-GHMZBOCLSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCNC)C1 308196671 572940126 /nfs/dbraw/zinc/94/01/26/572940126.db2.gz RMPCNMMDVKZGAH-GHMZBOCLSA-N 1 1 184.327 1.716 10 0 ADAEMO CCCC[N@@H+](C)C[C@@H]([NH3+])CC1CC1 308197496 572940354 /nfs/dbraw/zinc/94/03/54/572940354.db2.gz SCLDEKVAEQRMFO-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCCCN(C)C[C@@H]([NH3+])CC1CC1 308197496 572940355 /nfs/dbraw/zinc/94/03/55/572940355.db2.gz SCLDEKVAEQRMFO-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCOC(OCC)[C@H]([NH3+])c1ccco1 86453012 572940422 /nfs/dbraw/zinc/94/04/22/572940422.db2.gz KKXSYOSFEBWYOL-SECBINFHSA-N 1 1 199.250 1.679 10 0 ADAEMO CCOC(OCC)[C@@H]([NH3+])c1ccco1 86453013 572940554 /nfs/dbraw/zinc/94/05/54/572940554.db2.gz KKXSYOSFEBWYOL-VIFPVBQESA-N 1 1 199.250 1.679 10 0 ADAEMO FC(F)(F)OCC[N@H+]1CC=CCC1 308197305 572940682 /nfs/dbraw/zinc/94/06/82/572940682.db2.gz UGLCALSZAWGTTO-UHFFFAOYSA-N 1 1 195.184 1.785 10 0 ADAEMO FC(F)(F)OCC[N@@H+]1CC=CCC1 308197305 572940684 /nfs/dbraw/zinc/94/06/84/572940684.db2.gz UGLCALSZAWGTTO-UHFFFAOYSA-N 1 1 195.184 1.785 10 0 ADAEMO C[C@H]1CCc2c([nH+]cn2C)C1 76087429 572940733 /nfs/dbraw/zinc/94/07/33/572940733.db2.gz RNULCSBELKTEQZ-ZETCQYMHSA-N 1 1 150.225 1.545 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CC[C@@](C)(CO)C1 308209974 572941285 /nfs/dbraw/zinc/94/12/85/572941285.db2.gz FYZVFCIZCBEALE-GHMZBOCLSA-N 1 1 185.311 1.879 10 0 ADAEMO C=Cc1nnc([C@H]([NH3+])CC(C)C)o1 238141183 572940845 /nfs/dbraw/zinc/94/08/45/572940845.db2.gz WBWIKYSGIHJUEL-SSDOTTSWSA-N 1 1 181.239 1.759 10 0 ADAEMO C[C@@H]1CCc2[nH+]cn(C)c2C1 76087402 572941280 /nfs/dbraw/zinc/94/12/80/572941280.db2.gz SHNKJPCWLRHZAR-SSDOTTSWSA-N 1 1 150.225 1.545 10 0 ADAEMO CC(C)n1c[nH+]c2c1CCC[C@H]2CO 76088145 572940893 /nfs/dbraw/zinc/94/08/93/572940893.db2.gz BCBDYEONEOKRJF-VIFPVBQESA-N 1 1 194.278 1.876 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CC[C@](C)(CO)C1 308209975 572940957 /nfs/dbraw/zinc/94/09/57/572940957.db2.gz FYZVFCIZCBEALE-MNOVXSKESA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@@H]1CCc2c([nH+]cn2C)C1 76087424 572940997 /nfs/dbraw/zinc/94/09/97/572940997.db2.gz RNULCSBELKTEQZ-SSDOTTSWSA-N 1 1 150.225 1.545 10 0 ADAEMO C[C@@H](N)[C@@H](C)[NH2+]CC1(C2CC2)CC1 308210657 572941023 /nfs/dbraw/zinc/94/10/23/572941023.db2.gz WFEPVSRSAPXPPI-RKDXNWHRSA-N 1 1 182.311 1.502 10 0 ADAEMO C[C@@H](N)C[N@H+](C)CC1(C)CCCC1 308210242 572941050 /nfs/dbraw/zinc/94/10/50/572941050.db2.gz WAJHUTFDJKWGPE-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)n1c[nH+]c2c1C[C@H](CO)CC2 76088156 572941051 /nfs/dbraw/zinc/94/10/51/572941051.db2.gz QVLPZBVHAGCYIV-SECBINFHSA-N 1 1 194.278 1.561 10 0 ADAEMO C[C@@H](N)C[N@@H+](C)CC1(C)CCCC1 308210242 572941052 /nfs/dbraw/zinc/94/10/52/572941052.db2.gz WAJHUTFDJKWGPE-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H]1CCCc2c1[nH+]cn2C 76087412 572941151 /nfs/dbraw/zinc/94/11/51/572941151.db2.gz VJXYGPKOPQNZHM-ZETCQYMHSA-N 1 1 150.225 1.860 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@@H+]1CCCCCF 308209855 572941318 /nfs/dbraw/zinc/94/13/18/572941318.db2.gz KOCULIFBQWXKGF-VHSXEESVSA-N 1 1 188.290 1.548 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@H+]1CCCCCF 308209855 572941321 /nfs/dbraw/zinc/94/13/21/572941321.db2.gz KOCULIFBQWXKGF-VHSXEESVSA-N 1 1 188.290 1.548 10 0 ADAEMO CC(C)n1c[nH+]c2c1CC[C@H](CO)C2 76088149 572941632 /nfs/dbraw/zinc/94/16/32/572941632.db2.gz KCXVCGUPQMMQKX-VIFPVBQESA-N 1 1 194.278 1.561 10 0 ADAEMO CCN(CC)C[C@H](C)NC1=[NH+]CCC1 86455306 572941638 /nfs/dbraw/zinc/94/16/38/572941638.db2.gz RNVSXMFFVGZRRH-JTQLQIEISA-N 1 1 197.326 1.499 10 0 ADAEMO C[C@H]1CCc2[nH+]cn(C)c2C1 76087404 572941768 /nfs/dbraw/zinc/94/17/68/572941768.db2.gz SHNKJPCWLRHZAR-ZETCQYMHSA-N 1 1 150.225 1.545 10 0 ADAEMO CCN(CC)C[C@@H](C)NC1=[NH+]CCC1 86455305 572941815 /nfs/dbraw/zinc/94/18/15/572941815.db2.gz RNVSXMFFVGZRRH-SNVBAGLBSA-N 1 1 197.326 1.499 10 0 ADAEMO CCCC[N@@H+]1CCO[C@H](C(F)F)C1 308209907 572941955 /nfs/dbraw/zinc/94/19/55/572941955.db2.gz FWEYQJYBNFORSF-QMMMGPOBSA-N 1 1 193.237 1.752 10 0 ADAEMO CCCC[N@H+]1CCO[C@H](C(F)F)C1 308209907 572941958 /nfs/dbraw/zinc/94/19/58/572941958.db2.gz FWEYQJYBNFORSF-QMMMGPOBSA-N 1 1 193.237 1.752 10 0 ADAEMO CCC(CC)[N@@H+](C)C1(CN)CCC1 86474981 572943215 /nfs/dbraw/zinc/94/32/15/572943215.db2.gz UDPRCVZDNMFGRU-UHFFFAOYSA-N 1 1 184.327 1.988 10 0 ADAEMO CC(C)c1[nH+]c2c(n1C)CC[C@H](O)C2 76090848 572942102 /nfs/dbraw/zinc/94/21/02/572942102.db2.gz CVLQDTZOTVNQEM-QMMMGPOBSA-N 1 1 194.278 1.393 10 0 ADAEMO C[C@H](N)C[N@H+](C)CC1(C)CCCC1 308210241 572942123 /nfs/dbraw/zinc/94/21/23/572942123.db2.gz WAJHUTFDJKWGPE-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H](N)C[N@@H+](C)CC1(C)CCCC1 308210241 572942126 /nfs/dbraw/zinc/94/21/26/572942126.db2.gz WAJHUTFDJKWGPE-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO Cc1nc2c([nH]1)C[C@H](C[C@@H](C)[NH3+])CC2 76089423 572942156 /nfs/dbraw/zinc/94/21/56/572942156.db2.gz FCOKVCIVMNDQDO-APPZFPTMSA-N 1 1 193.294 1.560 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@@H](C[C@@H](C)[NH3+])C2 76089423 572942159 /nfs/dbraw/zinc/94/21/59/572942159.db2.gz FCOKVCIVMNDQDO-APPZFPTMSA-N 1 1 193.294 1.560 10 0 ADAEMO C[C@@H]1[C@H](N)CC[N@@H+]1CCCCCF 308209853 572942172 /nfs/dbraw/zinc/94/21/72/572942172.db2.gz KOCULIFBQWXKGF-NXEZZACHSA-N 1 1 188.290 1.548 10 0 ADAEMO C[C@@H]1[C@H](N)CC[N@H+]1CCCCCF 308209853 572942174 /nfs/dbraw/zinc/94/21/74/572942174.db2.gz KOCULIFBQWXKGF-NXEZZACHSA-N 1 1 188.290 1.548 10 0 ADAEMO CC(C)n1c[nH+]c2c1CC[C@@H](O)C2 76087964 572942177 /nfs/dbraw/zinc/94/21/77/572942177.db2.gz SFPSCGSFQHMFSR-MRVPVSSYSA-N 1 1 180.251 1.314 10 0 ADAEMO CO[C@@H]1CCc2c([nH+]cn2C(C)C)C1 76087983 572942195 /nfs/dbraw/zinc/94/21/95/572942195.db2.gz XITKWWTYPGRWCT-SECBINFHSA-N 1 1 194.278 1.968 10 0 ADAEMO Cc1nc2c([nH]1)C[C@@H]([C@H](C)C[NH3+])CC2 76089419 572942212 /nfs/dbraw/zinc/94/22/12/572942212.db2.gz ZPPUXOOKKRCJGC-APPZFPTMSA-N 1 1 193.294 1.418 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@H]([C@H](C)C[NH3+])C2 76089419 572942216 /nfs/dbraw/zinc/94/22/16/572942216.db2.gz ZPPUXOOKKRCJGC-APPZFPTMSA-N 1 1 193.294 1.418 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@H]([NH+](C)C)C2 76089162 572942325 /nfs/dbraw/zinc/94/23/25/572942325.db2.gz ILJLJIRSXMKINV-QMMMGPOBSA-N 1 1 179.267 1.137 10 0 ADAEMO Cc1nc2c([nH]1)[C@H]([C@@H](C)C[NH3+])CCC2 76089409 572942366 /nfs/dbraw/zinc/94/23/66/572942366.db2.gz UXGOLVIMYOGKOF-CBAPKCEASA-N 1 1 193.294 1.733 10 0 ADAEMO Cc1nc2c([nH]1)CCC[C@H]2[C@@H](C)C[NH3+] 76089409 572942369 /nfs/dbraw/zinc/94/23/69/572942369.db2.gz UXGOLVIMYOGKOF-CBAPKCEASA-N 1 1 193.294 1.733 10 0 ADAEMO Cc1[nH]c2c([nH+]1)CC[C@H]([C@@H](C)O)C2 76089390 572942408 /nfs/dbraw/zinc/94/24/08/572942408.db2.gz ARYTUZDKUNMLNA-SVRRBLITSA-N 1 1 180.251 1.204 10 0 ADAEMO Cc1[nH+]c2c(n1C(C)C)CC[C@@H](O)C2 76089859 572942497 /nfs/dbraw/zinc/94/24/97/572942497.db2.gz JLOLOPQBGPQOOT-SECBINFHSA-N 1 1 194.278 1.622 10 0 ADAEMO CCc1nc(CC2(C[NH3+])CCC2)n[nH]1 88049494 572942551 /nfs/dbraw/zinc/94/25/51/572942551.db2.gz YNFWBMXJSBEJAW-UHFFFAOYSA-N 1 1 194.282 1.039 10 0 ADAEMO CCc1nnc(CC2(C[NH3+])CCC2)[nH]1 88049494 572942554 /nfs/dbraw/zinc/94/25/54/572942554.db2.gz YNFWBMXJSBEJAW-UHFFFAOYSA-N 1 1 194.282 1.039 10 0 ADAEMO CC(C)(CO)n1c[nH+]c2c1CCCC2 76093954 572942579 /nfs/dbraw/zinc/94/25/79/572942579.db2.gz QRDXLKKUAIJHLC-UHFFFAOYSA-N 1 1 194.278 1.489 10 0 ADAEMO CCC[N@@H+](C1CC1)C1(CN)CCC1 86474951 572942605 /nfs/dbraw/zinc/94/26/05/572942605.db2.gz QEPAYHPZJDFETH-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CCCN(C1CC1)C1(C[NH3+])CCC1 86474951 572942606 /nfs/dbraw/zinc/94/26/06/572942606.db2.gz QEPAYHPZJDFETH-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CCC1CC([NH2+]Cc2nnco2)C1 308210723 572942630 /nfs/dbraw/zinc/94/26/30/572942630.db2.gz GGPGOGOGGBZOLE-UHFFFAOYSA-N 1 1 181.239 1.348 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@@H](C[C@H](C)[NH3+])C2 76089429 572942732 /nfs/dbraw/zinc/94/27/32/572942732.db2.gz FCOKVCIVMNDQDO-CBAPKCEASA-N 1 1 193.294 1.560 10 0 ADAEMO CC[C@H](C)OC(=O)[C@H]([NH3+])CC1CC1 308198407 572942728 /nfs/dbraw/zinc/94/27/28/572942728.db2.gz SQAWHUDKDPMUOI-IONNQARKSA-N 1 1 185.267 1.456 10 0 ADAEMO Cc1nc2c([nH]1)C[C@H](C[C@H](C)[NH3+])CC2 76089429 572942729 /nfs/dbraw/zinc/94/27/29/572942729.db2.gz FCOKVCIVMNDQDO-CBAPKCEASA-N 1 1 193.294 1.560 10 0 ADAEMO Cc1nc2c([nH]1)[C@@H]([C@@H](C)C[NH3+])CCC2 76089406 572942755 /nfs/dbraw/zinc/94/27/55/572942755.db2.gz UXGOLVIMYOGKOF-IONNQARKSA-N 1 1 193.294 1.733 10 0 ADAEMO Cc1nc2c([nH]1)CCC[C@@H]2[C@@H](C)C[NH3+] 76089406 572942758 /nfs/dbraw/zinc/94/27/58/572942758.db2.gz UXGOLVIMYOGKOF-IONNQARKSA-N 1 1 193.294 1.733 10 0 ADAEMO CC(C)[N@@H+](CC1CC1)C1(CN)CCC1 86475084 572942768 /nfs/dbraw/zinc/94/27/68/572942768.db2.gz IQBNMTPKSBLTSK-UHFFFAOYSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)c1[nH]c2c([nH+]1)[C@H](CO)CCC2 76090676 572942784 /nfs/dbraw/zinc/94/27/84/572942784.db2.gz MKBZIBDNJRHAOB-QMMMGPOBSA-N 1 1 194.278 1.945 10 0 ADAEMO CC(C)c1[nH]c2c([nH+]1)CCC[C@H]2CO 76090676 572942789 /nfs/dbraw/zinc/94/27/89/572942789.db2.gz MKBZIBDNJRHAOB-QMMMGPOBSA-N 1 1 194.278 1.945 10 0 ADAEMO CC[C@@H](C)OC(=O)[C@H]([NH3+])CC1CC1 308198409 572942803 /nfs/dbraw/zinc/94/28/03/572942803.db2.gz SQAWHUDKDPMUOI-VXNVDRBHSA-N 1 1 185.267 1.456 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)C1(CN)CCC1 86474958 572942848 /nfs/dbraw/zinc/94/28/48/572942848.db2.gz FWCICOATMQLDOA-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@@H]([NH+](C)C)C2 76089160 572942864 /nfs/dbraw/zinc/94/28/64/572942864.db2.gz ILJLJIRSXMKINV-MRVPVSSYSA-N 1 1 179.267 1.137 10 0 ADAEMO CC[N@@H+](CC(C)C)C1(CN)CCC1 86474956 572942908 /nfs/dbraw/zinc/94/29/08/572942908.db2.gz BZCUQPWBIOVEEJ-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)c1[nH]c2c([nH+]1)C[C@@H](O)CC2 76090584 572942912 /nfs/dbraw/zinc/94/29/12/572942912.db2.gz KPHAUGVJOVMXKN-ZETCQYMHSA-N 1 1 180.251 1.383 10 0 ADAEMO CC(C)c1[nH]c2c([nH+]1)CC[C@H](O)C2 76090584 572942922 /nfs/dbraw/zinc/94/29/22/572942922.db2.gz KPHAUGVJOVMXKN-ZETCQYMHSA-N 1 1 180.251 1.383 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)C1(CN)CCC1 86474954 572942954 /nfs/dbraw/zinc/94/29/54/572942954.db2.gz SBTMSYRKOBGAHD-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)n1c[nH+]c2c1CC[C@H](O)C2 76087959 572943043 /nfs/dbraw/zinc/94/30/43/572943043.db2.gz SFPSCGSFQHMFSR-QMMMGPOBSA-N 1 1 180.251 1.314 10 0 ADAEMO Cc1nc2c([nH]1)CCC[C@@H]2C[C@@H](C)[NH3+] 76089435 572943065 /nfs/dbraw/zinc/94/30/65/572943065.db2.gz AWGSVODETADOSD-VXNVDRBHSA-N 1 1 193.294 1.875 10 0 ADAEMO Cc1nc2c([nH]1)[C@@H](C[C@@H](C)[NH3+])CCC2 76089435 572943068 /nfs/dbraw/zinc/94/30/68/572943068.db2.gz AWGSVODETADOSD-VXNVDRBHSA-N 1 1 193.294 1.875 10 0 ADAEMO Cc1nc2c([nH]1)CCC[C@H]2C[C@H](C)[NH3+] 76089438 572943114 /nfs/dbraw/zinc/94/31/14/572943114.db2.gz AWGSVODETADOSD-CBAPKCEASA-N 1 1 193.294 1.875 10 0 ADAEMO Cc1nc2c([nH]1)[C@H](C[C@H](C)[NH3+])CCC2 76089438 572943116 /nfs/dbraw/zinc/94/31/16/572943116.db2.gz AWGSVODETADOSD-CBAPKCEASA-N 1 1 193.294 1.875 10 0 ADAEMO CC[N@@H+](CC1CC1)C1(CN)CCC1 86475200 572943149 /nfs/dbraw/zinc/94/31/49/572943149.db2.gz WUKVBNVYNQYISY-UHFFFAOYSA-N 1 1 182.311 1.600 10 0 ADAEMO CO[C@H]1CCc2c([nH+]cn2C(C)C)C1 76087981 572943159 /nfs/dbraw/zinc/94/31/59/572943159.db2.gz XITKWWTYPGRWCT-VIFPVBQESA-N 1 1 194.278 1.968 10 0 ADAEMO CCC[C@H](C)[N@@H+](C)C1(CN)CCC1 86474983 572943166 /nfs/dbraw/zinc/94/31/66/572943166.db2.gz CUNQCJJVWONHRV-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CCCCN[C@@H](C)C[NH2+]CCC 162281402 572943196 /nfs/dbraw/zinc/94/31/96/572943196.db2.gz AOCQHWACVDSXRI-JTQLQIEISA-N 1 1 172.316 1.764 10 0 ADAEMO CCCC[NH2+][C@@H](C)CNCCC 162281402 572943197 /nfs/dbraw/zinc/94/31/97/572943197.db2.gz AOCQHWACVDSXRI-JTQLQIEISA-N 1 1 172.316 1.764 10 0 ADAEMO CC(C)c1nc2c([nH]1)CCC[C@H]2C[NH3+] 76090692 572943258 /nfs/dbraw/zinc/94/32/58/572943258.db2.gz ZYCWMVWVUHPDCY-QMMMGPOBSA-N 1 1 193.294 1.912 10 0 ADAEMO Cc1[nH]c2c([nH+]1)CC[C@@H]([C@@H](C)O)C2 76089393 572943268 /nfs/dbraw/zinc/94/32/68/572943268.db2.gz ARYTUZDKUNMLNA-HTRCEHHLSA-N 1 1 180.251 1.204 10 0 ADAEMO CCC(C)(C)[N@@H+](C)C1(CN)CCC1 86475201 572943365 /nfs/dbraw/zinc/94/33/65/572943365.db2.gz FEMLXTMFXLZTDK-UHFFFAOYSA-N 1 1 184.327 1.988 10 0 ADAEMO Cc1[nH+]c2c(n1C)[C@H](CO)CCC2 76089598 572943419 /nfs/dbraw/zinc/94/34/19/572943419.db2.gz OTXVBGUQNHJIJX-QMMMGPOBSA-N 1 1 180.251 1.141 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)C1(CN)CCC1 86474980 572943425 /nfs/dbraw/zinc/94/34/25/572943425.db2.gz GLPNWNFYWGVOIW-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO NCC1([N@@H+](CC2CC2)C2CC2)CCC1 86475218 572943438 /nfs/dbraw/zinc/94/34/38/572943438.db2.gz LTUSQZAOBQWSER-UHFFFAOYSA-N 1 1 194.322 1.742 10 0 ADAEMO [NH3+]CC1(N(CC2CC2)C2CC2)CCC1 86475218 572943440 /nfs/dbraw/zinc/94/34/40/572943440.db2.gz LTUSQZAOBQWSER-UHFFFAOYSA-N 1 1 194.322 1.742 10 0 ADAEMO Cc1nc2c([nH]1)C[C@@H](C[C@@H](C)[NH3+])CC2 76089425 572943468 /nfs/dbraw/zinc/94/34/68/572943468.db2.gz FCOKVCIVMNDQDO-VXNVDRBHSA-N 1 1 193.294 1.560 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@H](C[C@@H](C)[NH3+])C2 76089425 572943471 /nfs/dbraw/zinc/94/34/71/572943471.db2.gz FCOKVCIVMNDQDO-VXNVDRBHSA-N 1 1 193.294 1.560 10 0 ADAEMO CCC[N@@H+](C(C)C)C1(CN)CCC1 86474950 572943490 /nfs/dbraw/zinc/94/34/90/572943490.db2.gz JYIFGHGDHTVJHF-UHFFFAOYSA-N 1 1 184.327 1.988 10 0 ADAEMO CC(C)c1[nH]c2c([nH+]1)CC[C@H](CO)C2 76090683 572943506 /nfs/dbraw/zinc/94/35/06/572943506.db2.gz GOVXOCILZSNFKD-QMMMGPOBSA-N 1 1 194.278 1.630 10 0 ADAEMO CC(C)c1[nH]c2c([nH+]1)C[C@@H](CO)CC2 76090683 572943508 /nfs/dbraw/zinc/94/35/08/572943508.db2.gz GOVXOCILZSNFKD-QMMMGPOBSA-N 1 1 194.278 1.630 10 0 ADAEMO Cc1nc2c([nH]1)C[C@@H](C[C@H](C)[NH3+])CC2 76089431 572943537 /nfs/dbraw/zinc/94/35/37/572943537.db2.gz FCOKVCIVMNDQDO-IONNQARKSA-N 1 1 193.294 1.560 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@H](C[C@H](C)[NH3+])C2 76089431 572943540 /nfs/dbraw/zinc/94/35/40/572943540.db2.gz FCOKVCIVMNDQDO-IONNQARKSA-N 1 1 193.294 1.560 10 0 ADAEMO CC(C)C[N@@H+](C1CC1)C1(CN)CCC1 86475078 572943687 /nfs/dbraw/zinc/94/36/87/572943687.db2.gz YCHIMHKLDCKFLL-UHFFFAOYSA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1[nH]c2c([nH+]1)CC[C@H]([C@H](C)O)C2 76089395 572943654 /nfs/dbraw/zinc/94/36/54/572943654.db2.gz ARYTUZDKUNMLNA-XPUUQOCRSA-N 1 1 180.251 1.204 10 0 ADAEMO CC[C@H](C)Nc1nc[nH+]c(NC)c1N 40707146 572943574 /nfs/dbraw/zinc/94/35/74/572943574.db2.gz RDRRUQQQWQXMOF-LURJTMIESA-N 1 1 195.270 1.311 10 0 ADAEMO CC[C@H](C)Nc1[nH+]cnc(NC)c1N 40707146 572943579 /nfs/dbraw/zinc/94/35/79/572943579.db2.gz RDRRUQQQWQXMOF-LURJTMIESA-N 1 1 195.270 1.311 10 0 ADAEMO CC(C)c1nc2c([nH]1)CCC[C@@H]2C[NH3+] 76090695 572943641 /nfs/dbraw/zinc/94/36/41/572943641.db2.gz ZYCWMVWVUHPDCY-MRVPVSSYSA-N 1 1 193.294 1.912 10 0 ADAEMO Cc1nc2c([nH]1)C[C@H]([C@@H](C)C[NH3+])CC2 76089417 572943689 /nfs/dbraw/zinc/94/36/89/572943689.db2.gz ZPPUXOOKKRCJGC-IONNQARKSA-N 1 1 193.294 1.418 10 0 ADAEMO Cc1[nH]c2c([nH+]1)CCC[C@@H]2CO 76089282 572943873 /nfs/dbraw/zinc/94/38/73/572943873.db2.gz HEZJQVQFCXQXJJ-SSDOTTSWSA-N 1 1 166.224 1.130 10 0 ADAEMO Cc1[nH+]c2c(n1C)[C@H]([C@H](C)O)CCC2 76089712 572943881 /nfs/dbraw/zinc/94/38/81/572943881.db2.gz VFVUGDUNRUTFHI-CBAPKCEASA-N 1 1 194.278 1.529 10 0 ADAEMO Cc1[nH]c2c([nH+]1)CC[C@@H]([C@H](C)O)C2 76089396 572943893 /nfs/dbraw/zinc/94/38/93/572943893.db2.gz ARYTUZDKUNMLNA-POYBYMJQSA-N 1 1 180.251 1.204 10 0 ADAEMO CO[C@@H]1CCc2c([nH+]cn2C2CC2)C1 76094003 572943945 /nfs/dbraw/zinc/94/39/45/572943945.db2.gz VDKYUCPDTITLME-SECBINFHSA-N 1 1 192.262 1.722 10 0 ADAEMO C[NH2+]C[C@H]1CCCc2[nH]c(C)nc21 76089317 572943954 /nfs/dbraw/zinc/94/39/54/572943954.db2.gz WPKIOWXZASOXDV-MRVPVSSYSA-N 1 1 179.267 1.357 10 0 ADAEMO CC[N@@H+](C)[C@H](C)C(=O)NCC(C)C 308212119 572943964 /nfs/dbraw/zinc/94/39/64/572943964.db2.gz GWAUNLLZNWNZFM-SECBINFHSA-N 1 1 186.299 1.099 10 0 ADAEMO C[NH2+]C[C@H]1CCc2nc(C)[nH]c2C1 76089309 572943978 /nfs/dbraw/zinc/94/39/78/572943978.db2.gz QLRUHBVKRSNPNX-QMMMGPOBSA-N 1 1 179.267 1.042 10 0 ADAEMO CC[C@H](C)[N@@H+](C)C1(CN)CCC1 86474955 572943985 /nfs/dbraw/zinc/94/39/85/572943985.db2.gz SBTMSYRKOBGAHD-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO C[NH2+][C@@H]1CCc2[nH]c(C(C)C)nc2C1 76090671 572944011 /nfs/dbraw/zinc/94/40/11/572944011.db2.gz GCEATQNTBSNCJK-MRVPVSSYSA-N 1 1 193.294 1.610 10 0 ADAEMO Cc1csc(CNC/C=C\C[NH3+])n1 308211852 572944012 /nfs/dbraw/zinc/94/40/12/572944012.db2.gz 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1.879 10 0 ADAEMO CC(C)[N@@H+](C)CC[C@@H]1CCC[C@@H]1O 86536070 572951983 /nfs/dbraw/zinc/95/19/83/572951983.db2.gz HJBFETDFJAQKBA-QWRGUYRKSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[N@@H+](C)CC[C@H]1CCC[C@@H]1O 86536144 572952065 /nfs/dbraw/zinc/95/20/65/572952065.db2.gz UVPRZOZZCQKSOG-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO CCCOC[C@]1(O)CC[N@H+](C2CC2)C1 86518819 572952090 /nfs/dbraw/zinc/95/20/90/572952090.db2.gz XDPINFBDDGKZSA-NSHDSACASA-N 1 1 199.294 1.012 10 0 ADAEMO Cc1cccc2c1[C@H](C[NH3+])CNC2 58519001 572952095 /nfs/dbraw/zinc/95/20/95/572952095.db2.gz ZKLBKTLNINWEJP-SNVBAGLBSA-N 1 1 176.263 1.141 10 0 ADAEMO CN1Cc2ccccc2[C@@H](C[NH3+])C1 58519007 572952186 /nfs/dbraw/zinc/95/21/86/572952186.db2.gz DFJORAWKAWVPGI-JTQLQIEISA-N 1 1 176.263 1.174 10 0 ADAEMO C[N@@H+](CC[C@@H]1CCC[C@@H]1O)C1CC1 86536160 572952282 /nfs/dbraw/zinc/95/22/82/572952282.db2.gz ANMSSIIDKPGEGJ-ONGXEEELSA-N 1 1 183.295 1.632 10 0 ADAEMO CC(C)OC[C@]1(O)CC[N@H+](C2CC2)C1 86518826 572952335 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10 0 ADAEMO CN1Cc2ccccc2[C@H](C[NH3+])C1 58519006 572953400 /nfs/dbraw/zinc/95/34/00/572953400.db2.gz DFJORAWKAWVPGI-SNVBAGLBSA-N 1 1 176.263 1.174 10 0 ADAEMO Cc1cccc2c1[C@H](C[NH3+])CN(C)C2 58521324 572953723 /nfs/dbraw/zinc/95/37/23/572953723.db2.gz ICEUCBMGKCAZIE-LLVKDONJSA-N 1 1 190.290 1.483 10 0 ADAEMO Cc1ccc([C@H]2[NH2+]CCC[C@@H]2N)cc1 58521352 572953792 /nfs/dbraw/zinc/95/37/92/572953792.db2.gz PXKWUKUIDAUOCI-NWDGAFQWSA-N 1 1 190.290 1.747 10 0 ADAEMO C[NH2+][C@H](COC(C)C)c1ncccn1 86524365 572953847 /nfs/dbraw/zinc/95/38/47/572953847.db2.gz BZXMYLHQKONVDT-SECBINFHSA-N 1 1 195.266 1.162 10 0 ADAEMO CC(C)=CC[N@H+]1CCO[C@H](CC[NH3+])C1 238151534 572953855 /nfs/dbraw/zinc/95/38/55/572953855.db2.gz ZYFJIEQYUBSMCI-LLVKDONJSA-N 1 1 198.310 1.002 10 0 ADAEMO CC(C)=CCN1CCO[C@H](CC[NH3+])C1 238151534 572953858 /nfs/dbraw/zinc/95/38/58/572953858.db2.gz ZYFJIEQYUBSMCI-LLVKDONJSA-N 1 1 198.310 1.002 10 0 ADAEMO Cc1ccccc1[C@H]1[NH2+]CCC[C@H]1N 58521334 572953887 /nfs/dbraw/zinc/95/38/87/572953887.db2.gz IGVZUZWGRQYQCH-VXGBXAGGSA-N 1 1 190.290 1.747 10 0 ADAEMO CC(C)CCC[C@@H]1C[NH2+]CCN1 199599802 572953938 /nfs/dbraw/zinc/95/39/38/572953938.db2.gz YZFSCFNSVLJIQK-SNVBAGLBSA-N 1 1 170.300 1.374 10 0 ADAEMO CCC[NH2+][C@H](COC)c1ncccn1 86524379 572953952 /nfs/dbraw/zinc/95/39/52/572953952.db2.gz ZRUMECXZZVRPSO-SECBINFHSA-N 1 1 195.266 1.164 10 0 ADAEMO CC[C@H](C[NH3+])C[N@H+]1C[C@@H](C)C[C@@H]1C 222614901 572953953 /nfs/dbraw/zinc/95/39/53/572953953.db2.gz ZNXURLRPLMPURP-GARJFASQSA-N 1 1 184.327 1.702 10 0 ADAEMO CCc1ccc2c(c1)CNC[C@@H]2C[NH3+] 58521315 572953962 /nfs/dbraw/zinc/95/39/62/572953962.db2.gz HLOLQSCILRORRA-NSHDSACASA-N 1 1 190.290 1.395 10 0 ADAEMO CCCOC[C@H]([NH2+]C)c1ncccn1 86524368 572953978 /nfs/dbraw/zinc/95/39/78/572953978.db2.gz ZBRFBHMNTBNNMK-VIFPVBQESA-N 1 1 195.266 1.164 10 0 ADAEMO Cc1cccc([C@H]2[NH2+]CCC[C@@H]2N)c1 58521347 572954006 /nfs/dbraw/zinc/95/40/06/572954006.db2.gz MOLPGDWVPGNJPK-NWDGAFQWSA-N 1 1 190.290 1.747 10 0 ADAEMO CC[NH2+][C@@H](COCC)c1ncccn1 86524374 572954032 /nfs/dbraw/zinc/95/40/32/572954032.db2.gz MJCNSNMTVGMXJC-VIFPVBQESA-N 1 1 195.266 1.164 10 0 ADAEMO Cc1cccc([C@H]2[NH2+]CCC[C@H]2N)c1 58521345 572954044 /nfs/dbraw/zinc/95/40/44/572954044.db2.gz MOLPGDWVPGNJPK-VXGBXAGGSA-N 1 1 190.290 1.747 10 0 ADAEMO Cc1ccccc1[C@H]1[NH2+]CCC[C@@H]1N 58521339 572954113 /nfs/dbraw/zinc/95/41/13/572954113.db2.gz IGVZUZWGRQYQCH-NWDGAFQWSA-N 1 1 190.290 1.747 10 0 ADAEMO CC[NH2+][C@H](COCC)c1ncccn1 86524375 572954158 /nfs/dbraw/zinc/95/41/58/572954158.db2.gz MJCNSNMTVGMXJC-SECBINFHSA-N 1 1 195.266 1.164 10 0 ADAEMO Cc1ccc2c(c1)CN(C)C[C@@H]2C[NH3+] 58521319 572954212 /nfs/dbraw/zinc/95/42/12/572954212.db2.gz ZXTDNDIIJXIMPR-NSHDSACASA-N 1 1 190.290 1.483 10 0 ADAEMO CC(C)=CC[N@H+]1CCO[C@@H](CC[NH3+])C1 238151509 572954262 /nfs/dbraw/zinc/95/42/62/572954262.db2.gz ZYFJIEQYUBSMCI-NSHDSACASA-N 1 1 198.310 1.002 10 0 ADAEMO CC(C)=CCN1CCO[C@@H](CC[NH3+])C1 238151509 572954264 /nfs/dbraw/zinc/95/42/64/572954264.db2.gz ZYFJIEQYUBSMCI-NSHDSACASA-N 1 1 198.310 1.002 10 0 ADAEMO Cc1cccc([C@@H]2[NH2+]CCC[C@@H]2N)c1 58521348 572954313 /nfs/dbraw/zinc/95/43/13/572954313.db2.gz MOLPGDWVPGNJPK-RYUDHWBXSA-N 1 1 190.290 1.747 10 0 ADAEMO CC(C)CCC[C@H]1C[NH2+]CCN1 199599819 572954433 /nfs/dbraw/zinc/95/44/33/572954433.db2.gz YZFSCFNSVLJIQK-JTQLQIEISA-N 1 1 170.300 1.374 10 0 ADAEMO C[NH2+][C@@H](COC(C)C)c1ncccn1 86524364 572954624 /nfs/dbraw/zinc/95/46/24/572954624.db2.gz BZXMYLHQKONVDT-VIFPVBQESA-N 1 1 195.266 1.162 10 0 ADAEMO Cc1ccc([C@@H]2[NH2+]CCC[C@H]2N)cc1 58521351 572954658 /nfs/dbraw/zinc/95/46/58/572954658.db2.gz PXKWUKUIDAUOCI-NEPJUHHUSA-N 1 1 190.290 1.747 10 0 ADAEMO Cc1cccc([C@@H]2[NH2+]CCC[C@H]2N)c1 58521346 572954680 /nfs/dbraw/zinc/95/46/80/572954680.db2.gz MOLPGDWVPGNJPK-NEPJUHHUSA-N 1 1 190.290 1.747 10 0 ADAEMO Cc1cccc2c1[C@@H](C[NH3+])CN(C)C2 58521326 572954706 /nfs/dbraw/zinc/95/47/06/572954706.db2.gz ICEUCBMGKCAZIE-NSHDSACASA-N 1 1 190.290 1.483 10 0 ADAEMO CCC[NH2+][C@@H](COC)c1ncccn1 86524378 572954710 /nfs/dbraw/zinc/95/47/10/572954710.db2.gz ZRUMECXZZVRPSO-VIFPVBQESA-N 1 1 195.266 1.164 10 0 ADAEMO CCc1ccc2c(c1)CNC[C@H]2C[NH3+] 58521318 572954745 /nfs/dbraw/zinc/95/47/45/572954745.db2.gz HLOLQSCILRORRA-LLVKDONJSA-N 1 1 190.290 1.395 10 0 ADAEMO Cc1ccc2c(c1)CN(C)C[C@H]2C[NH3+] 58521321 572954842 /nfs/dbraw/zinc/95/48/42/572954842.db2.gz ZXTDNDIIJXIMPR-LLVKDONJSA-N 1 1 190.290 1.483 10 0 ADAEMO Cc1ccc([C@H]2[NH2+]CCC[C@H]2N)cc1 58521349 572954876 /nfs/dbraw/zinc/95/48/76/572954876.db2.gz PXKWUKUIDAUOCI-VXGBXAGGSA-N 1 1 190.290 1.747 10 0 ADAEMO Cc1ccc([C@@H]2[NH2+]CCC[C@@H]2N)cc1 58521355 572955025 /nfs/dbraw/zinc/95/50/25/572955025.db2.gz PXKWUKUIDAUOCI-RYUDHWBXSA-N 1 1 190.290 1.747 10 0 ADAEMO C[NH2+]CC/C=C/c1c(C)ccnc1N 86571223 572955114 /nfs/dbraw/zinc/95/51/14/572955114.db2.gz VCXFWMSFCFLLEZ-HWKANZROSA-N 1 1 191.278 1.595 10 0 ADAEMO CC[C@@](C)(C[NH2+]C)CN(C)C 51214450 572955232 /nfs/dbraw/zinc/95/52/32/572955232.db2.gz KLUPBHGKRQKNSK-VIFPVBQESA-N 1 1 158.289 1.184 10 0 ADAEMO O=C1C=CC([C@H]2CCCCC[NH2+]2)O1 208211216 572955340 /nfs/dbraw/zinc/95/53/40/572955340.db2.gz JXHWRDLZWSWSEE-BDAKNGLRSA-N 1 1 181.235 1.000 10 0 ADAEMO O=C1C=CC([C@@H]2CCCCC[NH2+]2)O1 208211254 572955437 /nfs/dbraw/zinc/95/54/37/572955437.db2.gz JXHWRDLZWSWSEE-IUCAKERBSA-N 1 1 181.235 1.000 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1CC1(CN)CCCC1 51205632 572955566 /nfs/dbraw/zinc/95/55/66/572955566.db2.gz REJVYYOZYXMOSR-LLVKDONJSA-N 1 1 196.338 1.990 10 0 ADAEMO C[C@@H]1CCC[N@H+]1CC1(CN)CCCC1 51205632 572955569 /nfs/dbraw/zinc/95/55/69/572955569.db2.gz REJVYYOZYXMOSR-LLVKDONJSA-N 1 1 196.338 1.990 10 0 ADAEMO CC[C@@H]1CCC[N@@H+]1CC(C)(C)CN 51205294 572955832 /nfs/dbraw/zinc/95/58/32/572955832.db2.gz DJCCFRPOUQRASZ-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H]1CCC[N@H+]1CC(C)(C)CN 51205294 572955835 /nfs/dbraw/zinc/95/58/35/572955835.db2.gz DJCCFRPOUQRASZ-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO O=C1C=CC([C@@H]2CCCCC[NH2+]2)O1 208211294 572955940 /nfs/dbraw/zinc/95/59/40/572955940.db2.gz JXHWRDLZWSWSEE-DTWKUNHWSA-N 1 1 181.235 1.000 10 0 ADAEMO C[C@H]1CCC[N@@H+]1CC1(CN)CCCC1 51205634 572956012 /nfs/dbraw/zinc/95/60/12/572956012.db2.gz REJVYYOZYXMOSR-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO C[C@H]1CCC[N@H+]1CC1(CN)CCCC1 51205634 572956014 /nfs/dbraw/zinc/95/60/14/572956014.db2.gz REJVYYOZYXMOSR-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO C/C(=C/CC[NH3+])c1c(C)ccnc1N 86570825 572956062 /nfs/dbraw/zinc/95/60/62/572956062.db2.gz VFYDZFLEDWUIOO-YWEYNIOJSA-N 1 1 191.278 1.724 10 0 ADAEMO CN(CC(C)(C)C[NH3+])C1CC1 51215141 572956293 /nfs/dbraw/zinc/95/62/93/572956293.db2.gz KYPKRCCKAWYENZ-UHFFFAOYSA-N 1 1 156.273 1.066 10 0 ADAEMO C[N@H+](CC(C)(C)CN)C1CC1 51215141 572956296 /nfs/dbraw/zinc/95/62/96/572956296.db2.gz KYPKRCCKAWYENZ-UHFFFAOYSA-N 1 1 156.273 1.066 10 0 ADAEMO C[N@@H+](CC(C)(C)CN)C1CC1 51215141 572956298 /nfs/dbraw/zinc/95/62/98/572956298.db2.gz KYPKRCCKAWYENZ-UHFFFAOYSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@](C)(CN)C[NH+]1CCCCC1 51211076 572956492 /nfs/dbraw/zinc/95/64/92/572956492.db2.gz TWRMBEWVRUISJQ-LLVKDONJSA-N 1 1 184.327 1.847 10 0 ADAEMO CC[C@@H]([NH3+])c1nc([C@@H](C)OC)no1 86574157 572958306 /nfs/dbraw/zinc/95/83/06/572958306.db2.gz AMGMZJOSXBQFRL-PHDIDXHHSA-N 1 1 185.227 1.187 10 0 ADAEMO CO[C@@H](C)c1noc(C[NH2+]C(C)C)n1 86574077 572958310 /nfs/dbraw/zinc/95/83/10/572958310.db2.gz ZLWIIRJBAFURMZ-ZETCQYMHSA-N 1 1 199.254 1.275 10 0 ADAEMO CC[C@@H]([NH2+]C)c1nc([C@@H](C)OC)no1 86574117 572958312 /nfs/dbraw/zinc/95/83/12/572958312.db2.gz RYRSIFQGEACMRP-RNFRBKRXSA-N 1 1 199.254 1.448 10 0 ADAEMO CC[C@H]([NH3+])c1nc([C@@H](C)OC)no1 86574156 572958468 /nfs/dbraw/zinc/95/84/68/572958468.db2.gz AMGMZJOSXBQFRL-RITPCOANSA-N 1 1 185.227 1.187 10 0 ADAEMO CC[C@H]([NH2+]C)c1nc([C@@H](C)OC)no1 86574116 572958479 /nfs/dbraw/zinc/95/84/79/572958479.db2.gz RYRSIFQGEACMRP-RQJHMYQMSA-N 1 1 199.254 1.448 10 0 ADAEMO CO[C@H](C)c1noc(C[NH2+]C(C)C)n1 86574076 572958642 /nfs/dbraw/zinc/95/86/42/572958642.db2.gz ZLWIIRJBAFURMZ-SSDOTTSWSA-N 1 1 199.254 1.275 10 0 ADAEMO CC[C@@H]([NH2+]C)c1nc([C@H](C)OC)no1 86574119 572958662 /nfs/dbraw/zinc/95/86/62/572958662.db2.gz RYRSIFQGEACMRP-NKWVEPMBSA-N 1 1 199.254 1.448 10 0 ADAEMO CO[C@H](C)c1noc([C@H]([NH3+])C2CC2)n1 86574037 572958676 /nfs/dbraw/zinc/95/86/76/572958676.db2.gz PBUKBFXNKYYCFG-IYSWYEEDSA-N 1 1 197.238 1.187 10 0 ADAEMO COC(=O)C(C)(C)C[N@@H+](C)C(C)C 86594721 572961171 /nfs/dbraw/zinc/96/11/71/572961171.db2.gz WOWSHCMOTXPRBL-UHFFFAOYSA-N 1 1 187.283 1.526 10 0 ADAEMO CO[C@H](C)c1noc([C@@H]([NH3+])C2CC2)n1 86574039 572958772 /nfs/dbraw/zinc/95/87/72/572958772.db2.gz PBUKBFXNKYYCFG-VDTYLAMSSA-N 1 1 197.238 1.187 10 0 ADAEMO CO[C@@H](C)c1noc([C@@H]([NH3+])C2CC2)n1 86574038 572958725 /nfs/dbraw/zinc/95/87/25/572958725.db2.gz PBUKBFXNKYYCFG-FSPLSTOPSA-N 1 1 197.238 1.187 10 0 ADAEMO CC[C@H]([NH3+])c1nc([C@H](C)OC)no1 86574158 572958911 /nfs/dbraw/zinc/95/89/11/572958911.db2.gz AMGMZJOSXBQFRL-WDSKDSINSA-N 1 1 185.227 1.187 10 0 ADAEMO CO[C@@H](C)c1noc([C@H]([NH3+])C2CC2)n1 86574036 572959185 /nfs/dbraw/zinc/95/91/85/572959185.db2.gz PBUKBFXNKYYCFG-CAHLUQPWSA-N 1 1 197.238 1.187 10 0 ADAEMO CC[C@H]([NH2+]C)c1nc([C@H](C)OC)no1 86574118 572959306 /nfs/dbraw/zinc/95/93/06/572959306.db2.gz RYRSIFQGEACMRP-BQBZGAKWSA-N 1 1 199.254 1.448 10 0 ADAEMO CC[C@@H]([NH3+])c1nc([C@H](C)OC)no1 86574159 572959339 /nfs/dbraw/zinc/95/93/39/572959339.db2.gz AMGMZJOSXBQFRL-NTSWFWBYSA-N 1 1 185.227 1.187 10 0 ADAEMO C[N@@H+](CC(C)(C)CO)C1CC1 51292797 572959770 /nfs/dbraw/zinc/95/97/70/572959770.db2.gz XSRHYFXVASOUSA-UHFFFAOYSA-N 1 1 157.257 1.099 10 0 ADAEMO C=C/C=C\CC[N@H+](CC)C[C@H](C)O 713651548 572959954 /nfs/dbraw/zinc/95/99/54/572959954.db2.gz QUSBHPAXBWOBCS-ZADCQDASSA-N 1 1 183.295 1.821 10 0 ADAEMO COC(=O)C(C)(C)C[N@@H+](C)C1CC1 86594749 572960260 /nfs/dbraw/zinc/96/02/60/572960260.db2.gz IITOOEQJRAFPQE-UHFFFAOYSA-N 1 1 185.267 1.280 10 0 ADAEMO COC(=O)C(C)(C)C[N@H+]1CC[C@@H](C)C1 86594814 572960484 /nfs/dbraw/zinc/96/04/84/572960484.db2.gz HEPGUIKOSJORJD-SECBINFHSA-N 1 1 199.294 1.527 10 0 ADAEMO C=C/C=C\CC[N@H+](CC)C[C@@H](C)O 713651533 572960925 /nfs/dbraw/zinc/96/09/25/572960925.db2.gz QUSBHPAXBWOBCS-JMEBYUIHSA-N 1 1 183.295 1.821 10 0 ADAEMO COC(=O)C(C)(C)C[N@@H+](C)CC1CC1 86594813 572960929 /nfs/dbraw/zinc/96/09/29/572960929.db2.gz CZXSXJBVPJZIGH-UHFFFAOYSA-N 1 1 199.294 1.527 10 0 ADAEMO C=C/C=C/CC[N@H+]1C[C@@H](CO)[C@@H](C)C1 713651039 572960947 /nfs/dbraw/zinc/96/09/47/572960947.db2.gz MQGCRFHFZRMVEV-XMXMHJJKSA-N 1 1 195.306 1.679 10 0 ADAEMO CC[N@@H+](CC(C)(C)C(=O)OC)C1CC1 86594748 572961100 /nfs/dbraw/zinc/96/11/00/572961100.db2.gz TXWKKJLHNMXLSB-UHFFFAOYSA-N 1 1 199.294 1.670 10 0 ADAEMO CC(C)(CO)C[N@H+]1C[C@H]2CC[C@@H]1C2 51294568 572961196 /nfs/dbraw/zinc/96/11/96/572961196.db2.gz VQVKIYOKPGKNAV-VHSXEESVSA-N 1 1 183.295 1.489 10 0 ADAEMO C=C/C=C/CC[N@H+](CC)C[C@@H](C)O 713651545 572961207 /nfs/dbraw/zinc/96/12/07/572961207.db2.gz QUSBHPAXBWOBCS-XUIVZRPNSA-N 1 1 183.295 1.821 10 0 ADAEMO CCC[N@@H+](C)CC(C)(C)C(=O)OC 86594757 572961276 /nfs/dbraw/zinc/96/12/76/572961276.db2.gz YPGNCMAPVHSKST-UHFFFAOYSA-N 1 1 187.283 1.527 10 0 ADAEMO C=C/C=C/CC[N@@H+]1C[C@H](C)[C@@H](CO)C1 713651035 572961314 /nfs/dbraw/zinc/96/13/14/572961314.db2.gz MQGCRFHFZRMVEV-RUULKOMLSA-N 1 1 195.306 1.679 10 0 ADAEMO C=C/C=C/CC[N@H+](CC)C[C@H](C)O 713651543 572961251 /nfs/dbraw/zinc/96/12/51/572961251.db2.gz QUSBHPAXBWOBCS-MLRMMBSGSA-N 1 1 183.295 1.821 10 0 ADAEMO COC(=O)C(C)(C)C[N@H+]1CCC[C@H]1C 86594809 572961425 /nfs/dbraw/zinc/96/14/25/572961425.db2.gz VXJIWWAEHJCCGW-SECBINFHSA-N 1 1 199.294 1.670 10 0 ADAEMO COC(=O)C(C)(C)C[N@H+]1CC[C@H](C)C1 86594815 572961394 /nfs/dbraw/zinc/96/13/94/572961394.db2.gz HEPGUIKOSJORJD-VIFPVBQESA-N 1 1 199.294 1.527 10 0 ADAEMO C=C/C=C\CC[N@@H+]1C[C@H](C)[C@@H](CO)C1 713651032 572961447 /nfs/dbraw/zinc/96/14/47/572961447.db2.gz MQGCRFHFZRMVEV-KBIXYVOKSA-N 1 1 195.306 1.679 10 0 ADAEMO CC[N@@H+](C)CC(C)(C)C(=O)OC 86594747 572961693 /nfs/dbraw/zinc/96/16/93/572961693.db2.gz VFZNXOZNWLEFON-UHFFFAOYSA-N 1 1 173.256 1.137 10 0 ADAEMO CCC[N@@H+](CCO)[C@H]1CCCC(=O)C1 86600805 572961754 /nfs/dbraw/zinc/96/17/54/572961754.db2.gz AHZWPRXWPRAMAP-JTQLQIEISA-N 1 1 199.294 1.202 10 0 ADAEMO COC[C@H](C)[N@@H+](C)[C@@H]1CCCC(=O)C1 86600301 572961782 /nfs/dbraw/zinc/96/17/82/572961782.db2.gz GASHJMIWZXKSTR-VHSXEESVSA-N 1 1 199.294 1.465 10 0 ADAEMO CC(C)[N@@H+](CCO)[C@@H]1CCCC(=O)C1 86601071 572961867 /nfs/dbraw/zinc/96/18/67/572961867.db2.gz SABGQQSUXCOEPA-SNVBAGLBSA-N 1 1 199.294 1.201 10 0 ADAEMO CNc1ccc2[nH+]c(C)n(C)c2c1 76209900 572962215 /nfs/dbraw/zinc/96/22/15/572962215.db2.gz AAMQUUZYUVMXGL-UHFFFAOYSA-N 1 1 175.235 1.923 10 0 ADAEMO CC[NH2+][C@@H](C)c1nc([C@H](C)OC)no1 86591833 572963780 /nfs/dbraw/zinc/96/37/80/572963780.db2.gz GTJRNCUOVCXKLD-BQBZGAKWSA-N 1 1 199.254 1.448 10 0 ADAEMO CC(=O)C(CC[NH2+]C(C)C)=C(C)O 238167499 572962435 /nfs/dbraw/zinc/96/24/35/572962435.db2.gz APVMVFAGSBAOOP-UHFFFAOYSA-N 1 1 185.267 1.169 10 0 ADAEMO COC[C@@H](C)[N@@H+](C)[C@@H]1CCCC(=O)C1 86600303 572962517 /nfs/dbraw/zinc/96/25/17/572962517.db2.gz GASHJMIWZXKSTR-NXEZZACHSA-N 1 1 199.294 1.465 10 0 ADAEMO CC[N@@H+](CCOC)[C@H]1CCCC(=O)C1 86600298 572962711 /nfs/dbraw/zinc/96/27/11/572962711.db2.gz NIIJGBZIQQVRBE-JTQLQIEISA-N 1 1 199.294 1.466 10 0 ADAEMO Cc1[nH+]c2ccc(N(C)C)cc2n1C 76209762 572962765 /nfs/dbraw/zinc/96/27/65/572962765.db2.gz YFUUTSIGUHTFDU-UHFFFAOYSA-N 1 1 189.262 1.948 10 0 ADAEMO COCC[N@@H+](C)[C@H]1CCCC(=O)C1 86600230 572962836 /nfs/dbraw/zinc/96/28/36/572962836.db2.gz JHKWEHHJEAEDSI-VIFPVBQESA-N 1 1 185.267 1.076 10 0 ADAEMO CCC[NH2+]Cc1c[nH]c([C@@H](C)OC)n1 86591398 572963799 /nfs/dbraw/zinc/96/37/99/572963799.db2.gz ASWWBOWPNGWBNT-MRVPVSSYSA-N 1 1 197.282 1.617 10 0 ADAEMO COCCC[N@@H+](C)[C@H]1CCCC(=O)C1 86601202 572963043 /nfs/dbraw/zinc/96/30/43/572963043.db2.gz GTSUVRLOILQVEA-JTQLQIEISA-N 1 1 199.294 1.466 10 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IBZPQHKICHNJQO-SECBINFHSA-N 1 1 199.294 1.201 10 0 ADAEMO Cc1cc(OCC2CC2)c(CO)c[nH+]1 88110471 572967222 /nfs/dbraw/zinc/96/72/22/572967222.db2.gz HCHLCLAYJHPEAO-UHFFFAOYSA-N 1 1 193.246 1.671 10 0 ADAEMO CO[C@H]1CC[N@H+]([C@@H]2CCCCC2=O)C1 234949199 572967264 /nfs/dbraw/zinc/96/72/64/572967264.db2.gz YDHDUJWZWFQBFS-VHSXEESVSA-N 1 1 197.278 1.219 10 0 ADAEMO CO[C@H]1CC[N@H+]([C@H]2CCCC[C@@H]2O)C1 234956811 572967792 /nfs/dbraw/zinc/96/77/92/572967792.db2.gz AHBZPAFPTNBKFO-DCAQKATOSA-N 1 1 199.294 1.011 10 0 ADAEMO CC[NH2+][C@H]1CC[C@H]([N@@H+](C)C(C)C)C1 86618439 572967311 /nfs/dbraw/zinc/96/73/11/572967311.db2.gz NKPOJKCBJQKRDQ-QWRGUYRKSA-N 1 1 184.327 1.857 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1CC[C@H](O)C1 86620379 572967319 /nfs/dbraw/zinc/96/73/19/572967319.db2.gz LDKFTSOSCUXPMK-ZJUUUORDSA-N 1 1 171.284 1.632 10 0 ADAEMO CC[N@@H+](CC(C)C)[C@@H]1CC[C@H](O)C1 86620325 572967321 /nfs/dbraw/zinc/96/73/21/572967321.db2.gz FROUMTQFIAPAST-MNOVXSKESA-N 1 1 185.311 1.878 10 0 ADAEMO CC[NH2+][C@@H]1CC[C@H]([N@@H+](C)CC2CC2)C1 86619005 572967324 /nfs/dbraw/zinc/96/73/24/572967324.db2.gz NUTVUXQVCFGRAG-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO C[NH2+][C@@H]1CC[C@@H]([N@@H+](C)CC2CC2)C1 86618999 572967335 /nfs/dbraw/zinc/96/73/35/572967335.db2.gz TYXAATQQEVYXST-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1CC[C@H]([NH2+]C)C1 86618757 572967340 /nfs/dbraw/zinc/96/73/40/572967340.db2.gz AEEDTCGNVFWVEE-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CCCC[N@@H+](CCO)[C@@H]1CCC(=O)C1 86618124 572967409 /nfs/dbraw/zinc/96/74/09/572967409.db2.gz FDUYHHWXEREZPY-SNVBAGLBSA-N 1 1 199.294 1.202 10 0 ADAEMO CC[NH2+][C@@H]1CC[C@@H]([N@@H+](C)CC2CC2)C1 86619007 572967468 /nfs/dbraw/zinc/96/74/68/572967468.db2.gz NUTVUXQVCFGRAG-VXGBXAGGSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[NH2+][C@@H]1CC[C@@H]([N@@H+](C)C(C)C)C1 86618440 572967498 /nfs/dbraw/zinc/96/74/98/572967498.db2.gz NKPOJKCBJQKRDQ-GHMZBOCLSA-N 1 1 184.327 1.857 10 0 ADAEMO COCCC[N@@H+](C)[C@H]1CCC(=O)C1 86618423 572967512 /nfs/dbraw/zinc/96/75/12/572967512.db2.gz LKKHNBMQFBEVGX-VIFPVBQESA-N 1 1 185.267 1.076 10 0 ADAEMO CCCC[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620268 572967547 /nfs/dbraw/zinc/96/75/47/572967547.db2.gz FJGYPJUDKCPMBZ-ZJUUUORDSA-N 1 1 171.284 1.632 10 0 ADAEMO CC[N@@H+](CC1CC1)[C@@H]1CCC(=O)C1 86618555 572967551 /nfs/dbraw/zinc/96/75/51/572967551.db2.gz YNKMQQPVGNZWLZ-SNVBAGLBSA-N 1 1 181.279 1.840 10 0 ADAEMO CCC[N@@H+](C)[C@H]1CC[C@H]([NH2+]C)C1 86618758 572967641 /nfs/dbraw/zinc/96/76/41/572967641.db2.gz AEEDTCGNVFWVEE-UWVGGRQHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[N@@H+]([C@@H](C)COC)[C@@H]1CCC(=O)C1 86618018 572967668 /nfs/dbraw/zinc/96/76/68/572967668.db2.gz DBRZKNTXMVJXIA-VHSXEESVSA-N 1 1 199.294 1.465 10 0 ADAEMO CCC[N@@H+](CC)[C@H]1CCC(=O)C1 86617847 572967674 /nfs/dbraw/zinc/96/76/74/572967674.db2.gz UOWRAXMNKWCHIY-VIFPVBQESA-N 1 1 169.268 1.840 10 0 ADAEMO CC(C)Cc1cccc([C@H]([NH3+])CN)c1 238174840 572967708 /nfs/dbraw/zinc/96/77/08/572967708.db2.gz QQACOYOIUWGSGE-GFCCVEGCSA-N 1 1 192.306 1.844 10 0 ADAEMO C/C=C/COc1cc(C)[nH+]cc1CO 88110505 572967938 /nfs/dbraw/zinc/96/79/38/572967938.db2.gz IWNMQEYQJOWAQM-ONEGZZNKSA-N 1 1 193.246 1.837 10 0 ADAEMO CCN(CC)c1cc(C)ncc1C[NH3+] 88114659 572968268 /nfs/dbraw/zinc/96/82/68/572968268.db2.gz YLBFAHZQWXMZFD-UHFFFAOYSA-N 1 1 193.294 1.695 10 0 ADAEMO CCCN(C)c1cc(C)ncc1C[NH3+] 88114857 572968588 /nfs/dbraw/zinc/96/85/88/572968588.db2.gz NZQOLMXPLDJXON-UHFFFAOYSA-N 1 1 193.294 1.695 10 0 ADAEMO CCN(C)c1cc(C)ncc1C[NH2+]C 88114903 572968910 /nfs/dbraw/zinc/96/89/10/572968910.db2.gz PPYQDGDWFGJDSD-UHFFFAOYSA-N 1 1 193.294 1.566 10 0 ADAEMO C[N@H+](CC(C)(C)CN)C1CCC1 86637474 572969019 /nfs/dbraw/zinc/96/90/19/572969019.db2.gz DXAXLLCFXADMCW-UHFFFAOYSA-N 1 1 170.300 1.456 10 0 ADAEMO C[N@@H+](CC(C)(C)CN)C1CCC1 86637474 572969020 /nfs/dbraw/zinc/96/90/20/572969020.db2.gz DXAXLLCFXADMCW-UHFFFAOYSA-N 1 1 170.300 1.456 10 0 ADAEMO C/C=C/CN(C)CC(C)(C)C[NH3+] 86638150 572969290 /nfs/dbraw/zinc/96/92/90/572969290.db2.gz WPFOFWGLLKBSGP-AATRIKPKSA-N 1 1 170.300 1.479 10 0 ADAEMO CCC(CC)(CN)[NH+]1CC(C)C1 86679132 572970576 /nfs/dbraw/zinc/97/05/76/572970576.db2.gz KTOFTISYGJAZIK-UHFFFAOYSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC(CC)(CN)[NH+]1CC(C)(C)C1 86679156 572971453 /nfs/dbraw/zinc/97/14/53/572971453.db2.gz WDJXOJDCNABEKP-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC1(CC)C[NH+](C(C)(C)CN)C1 86678097 572970617 /nfs/dbraw/zinc/97/06/17/572970617.db2.gz TVVDNHNJEKMTQF-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)C[C@H](C[NH3+])N1CC(C(C)C)C1 86679102 572970624 /nfs/dbraw/zinc/97/06/24/572970624.db2.gz OBRAENXQCZSRCJ-GFCCVEGCSA-N 1 1 198.354 1.948 10 0 ADAEMO CCC(CC)(CN)[NH+]1CC2(CC2)C1 86679152 572970636 /nfs/dbraw/zinc/97/06/36/572970636.db2.gz VAUGFKRYABRVOY-UHFFFAOYSA-N 1 1 182.311 1.600 10 0 ADAEMO CCC(CC)(CN)[NH+]1CC2(CCC2)C1 86679147 572970647 /nfs/dbraw/zinc/97/06/47/572970647.db2.gz MSUGJGIHLFWUBK-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO CC(C)C[C@H](CN)[NH+]1CC(C)(C)C1 86679125 572970711 /nfs/dbraw/zinc/97/07/11/572970711.db2.gz OUGQWRWQVVVULQ-SNVBAGLBSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)C[C@@H](CN)[NH+]1CC2(CCC2)C1 86679104 572970787 /nfs/dbraw/zinc/97/07/87/572970787.db2.gz JEPIZQAYLJPOEO-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)C[C@H](CN)[NH+]1CC(C)C1 86679079 572970778 /nfs/dbraw/zinc/97/07/78/572970778.db2.gz SAWYZFPLVUSBAW-SNVBAGLBSA-N 1 1 170.300 1.312 10 0 ADAEMO CC(C)C[C@@H](CN)[NH+]1CC(C)C1 86679077 572970825 /nfs/dbraw/zinc/97/08/25/572970825.db2.gz SAWYZFPLVUSBAW-JTQLQIEISA-N 1 1 170.300 1.312 10 0 ADAEMO CC[N@@H+](C)CCn1cc(C)[nH]c1=S 88155049 572970952 /nfs/dbraw/zinc/97/09/52/572970952.db2.gz KFDWMPPUHBDWQA-UHFFFAOYSA-N 1 1 199.323 1.806 10 0 ADAEMO CCCC1C[NH+](C(C)(C)CN)C1 86678091 572971020 /nfs/dbraw/zinc/97/10/20/572971020.db2.gz FHQUAGASPIIZKH-UHFFFAOYSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC(CC)(C[NH3+])[N@H+]1CC[C@@H]1C 86679139 572971053 /nfs/dbraw/zinc/97/10/53/572971053.db2.gz YZZALWBXKMQPCJ-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CCC(CC)(CN)[N@@H+]1CC[C@@H]1C 86679139 572971055 /nfs/dbraw/zinc/97/10/55/572971055.db2.gz YZZALWBXKMQPCJ-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CCC(CC)(CN)[N@H+]1CC[C@@H]1C 86679139 572971057 /nfs/dbraw/zinc/97/10/57/572971057.db2.gz YZZALWBXKMQPCJ-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)C[C@@H](C[NH3+])N1CC(C(C)C)C1 86679100 572971081 /nfs/dbraw/zinc/97/10/81/572971081.db2.gz OBRAENXQCZSRCJ-LBPRGKRZSA-N 1 1 198.354 1.948 10 0 ADAEMO CCC1C[NH+]([C@@H](CN)CC(C)C)C1 86679075 572971088 /nfs/dbraw/zinc/97/10/88/572971088.db2.gz XSTUFVXXALKZGK-LLVKDONJSA-N 1 1 184.327 1.702 10 0 ADAEMO CCCC1C[NH+](C2(CN)CCCC2)C1 86679159 572971175 /nfs/dbraw/zinc/97/11/75/572971175.db2.gz VQOCRQJXZHDAHM-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO CCCC1CN(C2(C[NH3+])CCCC2)C1 86679159 572971177 /nfs/dbraw/zinc/97/11/77/572971177.db2.gz VQOCRQJXZHDAHM-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO CC[N@@H+](C)CCn1c(C)c[nH]c1=S 88146635 572971374 /nfs/dbraw/zinc/97/13/74/572971374.db2.gz JZXFYHJYKJCKRR-UHFFFAOYSA-N 1 1 199.323 1.806 10 0 ADAEMO CC(C)C[C@H](CN)[NH+]1CC2(CCC2)C1 86679106 572971553 /nfs/dbraw/zinc/97/15/53/572971553.db2.gz JEPIZQAYLJPOEO-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO CCC(CC)(C[NH3+])[N@H+]1CC[C@H]1C 86679140 572971588 /nfs/dbraw/zinc/97/15/88/572971588.db2.gz YZZALWBXKMQPCJ-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC(CC)(CN)[N@@H+]1CC[C@H]1C 86679140 572971591 /nfs/dbraw/zinc/97/15/91/572971591.db2.gz YZZALWBXKMQPCJ-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC(CC)(CN)[N@H+]1CC[C@H]1C 86679140 572971592 /nfs/dbraw/zinc/97/15/92/572971592.db2.gz YZZALWBXKMQPCJ-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)C[C@@H](CN)[NH+]1CC(C)(C)C1 86679121 572971772 /nfs/dbraw/zinc/97/17/72/572971772.db2.gz OUGQWRWQVVVULQ-JTQLQIEISA-N 1 1 184.327 1.702 10 0 ADAEMO CCC1CN([C@@H](C[NH3+])C(C)C)C1 86679755 572973835 /nfs/dbraw/zinc/97/38/35/572973835.db2.gz OOQMJJWSPHTKTN-JTQLQIEISA-N 1 1 170.300 1.312 10 0 ADAEMO CCC1C[NH+]([C@H](CN)CC(C)C)C1 86679074 572971923 /nfs/dbraw/zinc/97/19/23/572971923.db2.gz XSTUFVXXALKZGK-NSHDSACASA-N 1 1 184.327 1.702 10 0 ADAEMO COC1(C[NH+]2CCC(=O)CC2)CCC1 234652496 572972033 /nfs/dbraw/zinc/97/20/33/572972033.db2.gz AKCFVDICGBOTIN-UHFFFAOYSA-N 1 1 197.278 1.220 10 0 ADAEMO CCC1C[NH+](C(CC)(CC)CN)C1 86679129 572972115 /nfs/dbraw/zinc/97/21/15/572972115.db2.gz UHNIZASFXUQBFQ-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)C1CN([C@@H](C[NH3+])C(C)C)C1 86679776 572972326 /nfs/dbraw/zinc/97/23/26/572972326.db2.gz LSVGFIXEISMDOJ-NSHDSACASA-N 1 1 184.327 1.558 10 0 ADAEMO CC(C)(C)C1CN([C@@H](C[NH3+])C2CC2)C1 86679591 572972378 /nfs/dbraw/zinc/97/23/78/572972378.db2.gz JXRFOKGSMFLWON-NSHDSACASA-N 1 1 196.338 1.702 10 0 ADAEMO CCC[C@@H](CN)[NH+]1CC2(CCCC2)C1 86679704 572972423 /nfs/dbraw/zinc/97/24/23/572972423.db2.gz JWTZLRHUFYCWMY-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO CC[C@@H](CN)[NH+]1CC(CC)(CC)C1 86679634 572972427 /nfs/dbraw/zinc/97/24/27/572972427.db2.gz TVNYPWKPPXFROI-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CCC1CN([C@H](C[NH3+])C(C)C)C1 86679756 572972502 /nfs/dbraw/zinc/97/25/02/572972502.db2.gz OOQMJJWSPHTKTN-SNVBAGLBSA-N 1 1 170.300 1.312 10 0 ADAEMO CCC[C@H](CN)[NH+]1CC(CC)C1 86679693 572972551 /nfs/dbraw/zinc/97/25/51/572972551.db2.gz ZJXRJEBWMZLVOO-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H](CN)[NH+]1CC(C(C)C)C1 86679651 572972608 /nfs/dbraw/zinc/97/26/08/572972608.db2.gz SWZODWCMBYTPAL-SNVBAGLBSA-N 1 1 170.300 1.312 10 0 ADAEMO CCCC1C[NH+]([C@H](CN)C(C)C)C1 86679753 572972649 /nfs/dbraw/zinc/97/26/49/572972649.db2.gz TTXNJGXTCWSSBZ-LLVKDONJSA-N 1 1 184.327 1.702 10 0 ADAEMO CCCC1C[NH+]([C@@H](CN)C2CC2)C1 86679557 572972662 /nfs/dbraw/zinc/97/26/62/572972662.db2.gz KUTOIQILRXGFMW-NSHDSACASA-N 1 1 182.311 1.456 10 0 ADAEMO CCCC1C[NH+]([C@H](CN)C2CC2)C1 86679560 572972797 /nfs/dbraw/zinc/97/27/97/572972797.db2.gz KUTOIQILRXGFMW-LLVKDONJSA-N 1 1 182.311 1.456 10 0 ADAEMO CCC[C@@H](CN)[NH+]1CC(CC)C1 86679690 572972822 /nfs/dbraw/zinc/97/28/22/572972822.db2.gz ZJXRJEBWMZLVOO-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[C@@H](CN)[NH+]1CC(C(C)C)C1 86679711 572972843 /nfs/dbraw/zinc/97/28/43/572972843.db2.gz PLKFJWYBWKUPGF-NSHDSACASA-N 1 1 184.327 1.702 10 0 ADAEMO CCC[C@H](CN)[NH+]1CC(C(C)C)C1 86679713 572972918 /nfs/dbraw/zinc/97/29/18/572972918.db2.gz PLKFJWYBWKUPGF-LLVKDONJSA-N 1 1 184.327 1.702 10 0 ADAEMO CCC1C[NH+]([C@H](CN)C2CC2)C1 86679563 572972931 /nfs/dbraw/zinc/97/29/31/572972931.db2.gz UXVYWMDFYGZUQD-SNVBAGLBSA-N 1 1 168.284 1.066 10 0 ADAEMO CCC1C[NH+]([C@@H](CN)C2CC2)C1 86679561 572973008 /nfs/dbraw/zinc/97/30/08/572973008.db2.gz UXVYWMDFYGZUQD-JTQLQIEISA-N 1 1 168.284 1.066 10 0 ADAEMO CC[C@@H](CN)[NH+]1CC(C(C)(C)C)C1 86679656 572973127 /nfs/dbraw/zinc/97/31/27/572973127.db2.gz KQHDMIFBBBGNBN-JTQLQIEISA-N 1 1 184.327 1.702 10 0 ADAEMO CCCC1C[NH+]([C@H](CC)CN)C1 86679624 572973165 /nfs/dbraw/zinc/97/31/65/572973165.db2.gz OHGVSGHLTAMEFU-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC1(CC)C[NH+]([C@@H](CN)C2CC2)C1 86679568 572973171 /nfs/dbraw/zinc/97/31/71/572973171.db2.gz JRLPSOFAAWFJBG-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@H](CN)[NH+]1CC(CC)(CC)C1 86679636 572973243 /nfs/dbraw/zinc/97/32/43/572973243.db2.gz TVNYPWKPPXFROI-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H](CN)[NH+]1CC(C(C)C)C1 86679649 572973323 /nfs/dbraw/zinc/97/33/23/572973323.db2.gz SWZODWCMBYTPAL-JTQLQIEISA-N 1 1 170.300 1.312 10 0 ADAEMO CCCC1C[NH+]([C@H](CN)CCC)C1 86679687 572973367 /nfs/dbraw/zinc/97/33/67/572973367.db2.gz NPECZCOFWYAIQP-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)C1C[NH+]([C@@H](CN)C2CC2)C1 86679583 572973377 /nfs/dbraw/zinc/97/33/77/572973377.db2.gz MGAFEWHHGGZSPB-NSHDSACASA-N 1 1 182.311 1.312 10 0 ADAEMO CCCC1C[NH+]([C@@H](CC)CN)C1 86679621 572973439 /nfs/dbraw/zinc/97/34/39/572973439.db2.gz OHGVSGHLTAMEFU-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC1C[NH+]([C@@H](CN)CCC)C1 86679689 572973539 /nfs/dbraw/zinc/97/35/39/572973539.db2.gz NPECZCOFWYAIQP-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)(C)C1CN([C@H](C[NH3+])C2CC2)C1 86679593 572973615 /nfs/dbraw/zinc/97/36/15/572973615.db2.gz JXRFOKGSMFLWON-LLVKDONJSA-N 1 1 196.338 1.702 10 0 ADAEMO CC[C@H](CN)[NH+]1CC(C(C)(C)C)C1 86679658 572973636 /nfs/dbraw/zinc/97/36/36/572973636.db2.gz KQHDMIFBBBGNBN-SNVBAGLBSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)C1CN([C@H](C[NH3+])C(C)C)C1 86679778 572973654 /nfs/dbraw/zinc/97/36/54/572973654.db2.gz LSVGFIXEISMDOJ-LLVKDONJSA-N 1 1 184.327 1.558 10 0 ADAEMO CCC[C@H](CN)[NH+]1CC2(CCCC2)C1 86679706 572973687 /nfs/dbraw/zinc/97/36/87/572973687.db2.gz JWTZLRHUFYCWMY-LLVKDONJSA-N 1 1 196.338 1.990 10 0 ADAEMO CCC1(CC)C[NH+]([C@H](CN)C2CC2)C1 86679570 572973798 /nfs/dbraw/zinc/97/37/98/572973798.db2.gz JRLPSOFAAWFJBG-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO CCCC1C[NH+]([C@@H](CN)C(C)C)C1 86679751 572973916 /nfs/dbraw/zinc/97/39/16/572973916.db2.gz TTXNJGXTCWSSBZ-NSHDSACASA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)C1C[NH+]([C@H](CN)C2CC2)C1 86679585 572973922 /nfs/dbraw/zinc/97/39/22/572973922.db2.gz MGAFEWHHGGZSPB-LLVKDONJSA-N 1 1 182.311 1.312 10 0 ADAEMO CCCn1c[nH+]cc1[C@H]1C[C@@H]1CO 88158331 572973939 /nfs/dbraw/zinc/97/39/39/572973939.db2.gz QBFGOSAJOWFWCQ-BDAKNGLRSA-N 1 1 180.251 1.389 10 0 ADAEMO C[C@@H]1CN[C@@H](Cc2ccccc2)C[NH2+]1 59510409 572973972 /nfs/dbraw/zinc/97/39/72/572973972.db2.gz PYLUEUSUFLBVMR-PWSUYJOCSA-N 1 1 190.290 1.179 10 0 ADAEMO C[C@H]1CN[C@@H](Cc2ccccc2)C[NH2+]1 59510410 572974030 /nfs/dbraw/zinc/97/40/30/572974030.db2.gz PYLUEUSUFLBVMR-JQWIXIFHSA-N 1 1 190.290 1.179 10 0 ADAEMO CCCn1c[nH+]cc1[C@@H]1C[C@@H]1CO 88158330 572974090 /nfs/dbraw/zinc/97/40/90/572974090.db2.gz QBFGOSAJOWFWCQ-RKDXNWHRSA-N 1 1 180.251 1.389 10 0 ADAEMO C[C@@H]1CN[C@H](Cc2ccccc2)C[NH2+]1 59510407 572974152 /nfs/dbraw/zinc/97/41/52/572974152.db2.gz PYLUEUSUFLBVMR-ZYHUDNBSSA-N 1 1 190.290 1.179 10 0 ADAEMO CCC(CC)[C@@H](C)N[C@H]1CC[NH2+]C1 86730176 572974199 /nfs/dbraw/zinc/97/41/99/572974199.db2.gz NHEYRGIWGQDHHC-KOLCDFICSA-N 1 1 184.327 1.763 10 0 ADAEMO CCCn1c[nH+]cc1[C@H]1C[C@H]1CO 88158333 572974206 /nfs/dbraw/zinc/97/42/06/572974206.db2.gz QBFGOSAJOWFWCQ-IUCAKERBSA-N 1 1 180.251 1.389 10 0 ADAEMO CCCn1c[nH+]cc1[C@@H]1C[C@H]1CO 88158332 572974259 /nfs/dbraw/zinc/97/42/59/572974259.db2.gz QBFGOSAJOWFWCQ-DTWKUNHWSA-N 1 1 180.251 1.389 10 0 ADAEMO CC[C@H](CC1CC1)N[C@H]1CC[NH2+]C1 86730246 572974960 /nfs/dbraw/zinc/97/49/60/572974960.db2.gz CHHBPBIPMIMNNJ-MNOVXSKESA-N 1 1 182.311 1.517 10 0 ADAEMO CC[C@@H](CC1CC1)N[C@@H]1CC[NH2+]C1 86730240 572975031 /nfs/dbraw/zinc/97/50/31/572975031.db2.gz CHHBPBIPMIMNNJ-WDEREUQCSA-N 1 1 182.311 1.517 10 0 ADAEMO CCC(CC)[C@@H](C)N[C@@H]1CC[NH2+]C1 86730172 572975083 /nfs/dbraw/zinc/97/50/83/572975083.db2.gz NHEYRGIWGQDHHC-MWLCHTKSSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC(CC)[C@H](C)N[C@H]1CC[NH2+]C1 86730178 572975170 /nfs/dbraw/zinc/97/51/70/572975170.db2.gz NHEYRGIWGQDHHC-ONGXEEELSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC(CC)[N@H+]1C[C@@H](O)[C@H](CC)C1 400039327 572975724 /nfs/dbraw/zinc/97/57/24/572975724.db2.gz NLVSNUGTNDWQHE-MWLCHTKSSA-N 1 1 185.311 1.878 10 0 ADAEMO CCCn1cc[nH+]c1C[C@@H](O)CC 86750103 572975818 /nfs/dbraw/zinc/97/58/18/572975818.db2.gz QSQIMRWFKBJGRG-VIFPVBQESA-N 1 1 182.267 1.607 10 0 ADAEMO CCn1cc[nH+]c1C[C@H](O)CC(C)C 86750068 572975824 /nfs/dbraw/zinc/97/58/24/572975824.db2.gz JWHIWQDIBOWKKG-SNVBAGLBSA-N 1 1 196.294 1.853 10 0 ADAEMO CCCn1cc[nH+]c1C[C@@H](O)C1CC1 86750001 572975829 /nfs/dbraw/zinc/97/58/29/572975829.db2.gz BTWBFEYKQKZYHH-SNVBAGLBSA-N 1 1 194.278 1.607 10 0 ADAEMO CCC(CC)[N@H+]1C[C@@H](O)[C@@H](CC)C1 400039325 572975834 /nfs/dbraw/zinc/97/58/34/572975834.db2.gz NLVSNUGTNDWQHE-GXSJLCMTSA-N 1 1 185.311 1.878 10 0 ADAEMO CC(C)C[C@@H](O)Cc1[nH+]ccn1C 86750065 572975836 /nfs/dbraw/zinc/97/58/36/572975836.db2.gz QVFDEQLDWYSUFJ-SECBINFHSA-N 1 1 182.267 1.370 10 0 ADAEMO CCC(O)(CC)Cc1[nH+]ccn1C 86749561 572975891 /nfs/dbraw/zinc/97/58/91/572975891.db2.gz XWAQFPFLDRVTDL-UHFFFAOYSA-N 1 1 182.267 1.514 10 0 ADAEMO CCn1cc[nH+]c1C[C@@](C)(O)C1CC1 86749584 572975923 /nfs/dbraw/zinc/97/59/23/572975923.db2.gz QLKZWUAAMOONTK-LLVKDONJSA-N 1 1 194.278 1.607 10 0 ADAEMO CC[C@@H](C)[C@@H](O)Cc1[nH+]ccn1C 86749971 572976010 /nfs/dbraw/zinc/97/60/10/572976010.db2.gz AOJDCIOUGAKKKX-BDAKNGLRSA-N 1 1 182.267 1.370 10 0 ADAEMO CCC[C@@H](C)[C@@H](O)Cc1[nH+]ccn1C 86750141 572976023 /nfs/dbraw/zinc/97/60/23/572976023.db2.gz KURMTWXQFDEMPV-ZJUUUORDSA-N 1 1 196.294 1.760 10 0 ADAEMO CCC[C@H](C)[C@@H](O)Cc1[nH+]ccn1C 86750143 572976043 /nfs/dbraw/zinc/97/60/43/572976043.db2.gz KURMTWXQFDEMPV-UWVGGRQHSA-N 1 1 196.294 1.760 10 0 ADAEMO CC[C@H](C)[C@](C)(O)Cc1[nH+]ccn1C 86749597 572976071 /nfs/dbraw/zinc/97/60/71/572976071.db2.gz ZTLOMIZVGGCVHW-GXSJLCMTSA-N 1 1 196.294 1.760 10 0 ADAEMO CCC[C@@H](O)Cc1[nH+]ccn1CCC 86750061 572976124 /nfs/dbraw/zinc/97/61/24/572976124.db2.gz FMFGAUGPQFGTEQ-SNVBAGLBSA-N 1 1 196.294 1.997 10 0 ADAEMO CCCn1cc[nH+]c1CC(C)(C)O 86749546 572976956 /nfs/dbraw/zinc/97/69/56/572976956.db2.gz IQJZMACSZFZBJZ-UHFFFAOYSA-N 1 1 182.267 1.607 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H](O)CC(C)C 86750069 572976153 /nfs/dbraw/zinc/97/61/53/572976153.db2.gz JWHIWQDIBOWKKG-JTQLQIEISA-N 1 1 196.294 1.853 10 0 ADAEMO CCn1cc[nH+]c1C[C@@](C)(O)C(C)C 86749573 572976161 /nfs/dbraw/zinc/97/61/61/572976161.db2.gz HTNOASVAIRIZQK-LLVKDONJSA-N 1 1 196.294 1.853 10 0 ADAEMO CC[C@@](O)(Cc1[nH+]ccn1C)C(C)C 86749617 572976172 /nfs/dbraw/zinc/97/61/72/572976172.db2.gz CYTKZCFBGBLKIB-LLVKDONJSA-N 1 1 196.294 1.760 10 0 ADAEMO CC[C@@](O)(Cc1[nH+]ccn1C)C1CC1 86750358 572976176 /nfs/dbraw/zinc/97/61/76/572976176.db2.gz PNGIWEAWLRKHON-LLVKDONJSA-N 1 1 194.278 1.514 10 0 ADAEMO [NH3+]CCCN[C@H]1CCc2cccnc21 86734448 572976197 /nfs/dbraw/zinc/97/61/97/572976197.db2.gz LVHCQGSZUMQXJP-JTQLQIEISA-N 1 1 191.278 1.007 10 0 ADAEMO CCCC[C@H](O)Cc1[nH+]ccn1CC 86750109 572976201 /nfs/dbraw/zinc/97/62/01/572976201.db2.gz MDTVCBAWWKDYME-JTQLQIEISA-N 1 1 196.294 1.997 10 0 ADAEMO CCC(CC)[N@@H+]1C[C@H](CC)[C@@H](O)C1 400039328 572976219 /nfs/dbraw/zinc/97/62/19/572976219.db2.gz NLVSNUGTNDWQHE-ONGXEEELSA-N 1 1 185.311 1.878 10 0 ADAEMO CCCC[C@@H](O)Cc1[nH+]ccn1C 86750108 572976226 /nfs/dbraw/zinc/97/62/26/572976226.db2.gz NUXQYIVPSJEXGN-SECBINFHSA-N 1 1 182.267 1.514 10 0 ADAEMO CC[C@](O)(Cc1[nH+]ccn1C)C(C)C 86749619 572976235 /nfs/dbraw/zinc/97/62/35/572976235.db2.gz CYTKZCFBGBLKIB-NSHDSACASA-N 1 1 196.294 1.760 10 0 ADAEMO CCCCC[C@@H](O)Cc1[nH+]ccn1C 86750167 572976303 /nfs/dbraw/zinc/97/63/03/572976303.db2.gz RBHVESCWHYUMMV-SNVBAGLBSA-N 1 1 196.294 1.904 10 0 ADAEMO CCCn1cc[nH+]c1C[C@H](O)C(C)C 86749867 572976333 /nfs/dbraw/zinc/97/63/33/572976333.db2.gz CXLFFQAWJGEUBF-JTQLQIEISA-N 1 1 196.294 1.853 10 0 ADAEMO N#C[C@@H]1C[C@H]2CCC[C@H]2[NH2+]1 59561326 572976417 /nfs/dbraw/zinc/97/64/17/572976417.db2.gz ZYWCCQZJLJTZIP-GJMOJQLCSA-N 1 1 136.198 1.041 10 0 ADAEMO CCC[C@H](O)Cc1[nH+]ccn1CCC 86750059 572976480 /nfs/dbraw/zinc/97/64/80/572976480.db2.gz 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572976648 /nfs/dbraw/zinc/97/66/48/572976648.db2.gz ODZDAZXIEQZHLY-ZJUUUORDSA-N 1 1 196.294 1.853 10 0 ADAEMO CC[C@@H](C)[C@](C)(O)Cc1[nH+]ccn1C 86749595 572976696 /nfs/dbraw/zinc/97/66/96/572976696.db2.gz ZTLOMIZVGGCVHW-MWLCHTKSSA-N 1 1 196.294 1.760 10 0 ADAEMO CCC[C@@H](C)[C@H](O)Cc1[nH+]ccn1C 86750137 572976701 /nfs/dbraw/zinc/97/67/01/572976701.db2.gz KURMTWXQFDEMPV-NXEZZACHSA-N 1 1 196.294 1.760 10 0 ADAEMO CCCn1cc[nH+]c1C[C@H](O)C1CC1 86749999 572976713 /nfs/dbraw/zinc/97/67/13/572976713.db2.gz BTWBFEYKQKZYHH-JTQLQIEISA-N 1 1 194.278 1.607 10 0 ADAEMO CC[C@H](C)[C@@](C)(O)Cc1[nH+]ccn1C 86749600 572976806 /nfs/dbraw/zinc/97/68/06/572976806.db2.gz ZTLOMIZVGGCVHW-ONGXEEELSA-N 1 1 196.294 1.760 10 0 ADAEMO [NH3+]CCCN[C@@H]1CCc2cccnc21 86734445 572976842 /nfs/dbraw/zinc/97/68/42/572976842.db2.gz LVHCQGSZUMQXJP-SNVBAGLBSA-N 1 1 191.278 1.007 10 0 ADAEMO CCn1cc[nH+]c1C[C@](C)(O)C(C)C 86749571 572976871 /nfs/dbraw/zinc/97/68/71/572976871.db2.gz HTNOASVAIRIZQK-NSHDSACASA-N 1 1 196.294 1.853 10 0 ADAEMO CCC[C@H](C)[C@H](O)Cc1[nH+]ccn1C 86750139 572976884 /nfs/dbraw/zinc/97/68/84/572976884.db2.gz KURMTWXQFDEMPV-VHSXEESVSA-N 1 1 196.294 1.760 10 0 ADAEMO CCCn1cc[nH+]c1C[C@@H](O)C(C)C 86749869 572976899 /nfs/dbraw/zinc/97/68/99/572976899.db2.gz CXLFFQAWJGEUBF-SNVBAGLBSA-N 1 1 196.294 1.853 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](N)[C@H]1C1CCCC1 250533779 572976921 /nfs/dbraw/zinc/97/69/21/572976921.db2.gz YCBJHDYGWZWADX-NWDGAFQWSA-N 1 1 196.338 1.987 10 0 ADAEMO CCn1cc[nH+]c1C[C@@](C)(O)CC 86749552 572977079 /nfs/dbraw/zinc/97/70/79/572977079.db2.gz JJCXLFAFZJKOHW-JTQLQIEISA-N 1 1 182.267 1.607 10 0 ADAEMO CCCn1cc[nH+]c1CC1(O)CCC1 86750533 572977135 /nfs/dbraw/zinc/97/71/35/572977135.db2.gz SSQIOAVRDAGLSC-UHFFFAOYSA-N 1 1 194.278 1.751 10 0 ADAEMO CC[C@H](C)[C@H](O)Cc1[nH+]ccn1CC 86749978 572977205 /nfs/dbraw/zinc/97/72/05/572977205.db2.gz ODZDAZXIEQZHLY-VHSXEESVSA-N 1 1 196.294 1.853 10 0 ADAEMO CCCn1cc[nH+]c1C[C@H](O)CC 86750101 572977250 /nfs/dbraw/zinc/97/72/50/572977250.db2.gz QSQIMRWFKBJGRG-SECBINFHSA-N 1 1 182.267 1.607 10 0 ADAEMO CC[C@H](C)[C@@H](O)Cc1[nH+]ccn1C 86749973 572977280 /nfs/dbraw/zinc/97/72/80/572977280.db2.gz AOJDCIOUGAKKKX-IUCAKERBSA-N 1 1 182.267 1.370 10 0 ADAEMO CCn1cc[nH+]c1C[C@](C)(O)CC 86749554 572977296 /nfs/dbraw/zinc/97/72/96/572977296.db2.gz JJCXLFAFZJKOHW-SNVBAGLBSA-N 1 1 182.267 1.607 10 0 ADAEMO CCC(CC)[C@H](O)Cc1[nH+]ccn1C 86749905 572977314 /nfs/dbraw/zinc/97/73/14/572977314.db2.gz SDUYPDWPIUPBHY-SNVBAGLBSA-N 1 1 196.294 1.760 10 0 ADAEMO CC[C@H](C)[C@H](O)Cc1[nH+]ccn1C 86749969 572977352 /nfs/dbraw/zinc/97/73/52/572977352.db2.gz AOJDCIOUGAKKKX-DTWKUNHWSA-N 1 1 182.267 1.370 10 0 ADAEMO CC[C@](O)(Cc1[nH+]ccn1C)C1CC1 86750361 572977356 /nfs/dbraw/zinc/97/73/56/572977356.db2.gz PNGIWEAWLRKHON-NSHDSACASA-N 1 1 194.278 1.514 10 0 ADAEMO CC[C@@H](C)[C@H](O)Cc1[nH+]ccn1C 86749967 572977393 /nfs/dbraw/zinc/97/73/93/572977393.db2.gz AOJDCIOUGAKKKX-RKDXNWHRSA-N 1 1 182.267 1.370 10 0 ADAEMO 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/nfs/dbraw/zinc/97/75/70/572977570.db2.gz YXPHDESHXCSHNG-QMMMGPOBSA-N 1 1 168.240 1.124 10 0 ADAEMO CC[C@@H](O)CCCc1[nH+]ccn1CC 86754523 572977588 /nfs/dbraw/zinc/97/75/88/572977588.db2.gz AGCBKVDSWJRSDN-SNVBAGLBSA-N 1 1 196.294 1.997 10 0 ADAEMO C[C@H](O)CC(C)(C)Cc1[nH+]ccn1C 86754605 572977625 /nfs/dbraw/zinc/97/76/25/572977625.db2.gz MTHQZONIMYZUPD-VIFPVBQESA-N 1 1 196.294 1.760 10 0 ADAEMO CCn1cc[nH+]c1CCC[C@@H](C)O 86754428 572977666 /nfs/dbraw/zinc/97/76/66/572977666.db2.gz LVZILDJFBRAKSX-SECBINFHSA-N 1 1 182.267 1.607 10 0 ADAEMO CCn1cc[nH+]c1C[C@H](O)[C@H]1C[C@@H]1C 86751602 572977683 /nfs/dbraw/zinc/97/76/83/572977683.db2.gz IWEZMEMKOUJBAI-GUBZILKMSA-N 1 1 194.278 1.462 10 0 ADAEMO CCn1cc[nH+]c1CCC[C@H](C)O 86754431 572977694 /nfs/dbraw/zinc/97/76/94/572977694.db2.gz LVZILDJFBRAKSX-VIFPVBQESA-N 1 1 182.267 1.607 10 0 ADAEMO CC[C@H](O)CCCc1[nH+]ccn1CC 86754520 572977723 /nfs/dbraw/zinc/97/77/23/572977723.db2.gz AGCBKVDSWJRSDN-JTQLQIEISA-N 1 1 196.294 1.997 10 0 ADAEMO CCn1cc[nH+]c1C[C@H](C)C[C@@H](C)O 86754583 572977737 /nfs/dbraw/zinc/97/77/37/572977737.db2.gz GSBDFIVZSUKUPA-NXEZZACHSA-N 1 1 196.294 1.853 10 0 ADAEMO CC(C)C[C@H](N)[C@@H]([NH3+])CC(C)C 238192416 572977743 /nfs/dbraw/zinc/97/77/43/572977743.db2.gz LKIULKWWFDXWAO-UWVGGRQHSA-N 1 1 172.316 1.733 10 0 ADAEMO C[C@H]1CC[N@@H+](C2CCNCC2)[C@H](C)C1 51732115 572977746 /nfs/dbraw/zinc/97/77/46/572977746.db2.gz QUAZAMGVYPOELE-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CC[N@H+](C2CCNCC2)[C@H](C)C1 51732115 572977747 /nfs/dbraw/zinc/97/77/47/572977747.db2.gz QUAZAMGVYPOELE-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCn1cc[nH+]c1C[C@H](O)C1CCC1 86751408 572977759 /nfs/dbraw/zinc/97/77/59/572977759.db2.gz BKHOXVIGVMBZFY-JTQLQIEISA-N 1 1 194.278 1.607 10 0 ADAEMO CCn1cc[nH+]c1CCCCO 86754420 572977763 /nfs/dbraw/zinc/97/77/63/572977763.db2.gz OFTMWICZSRCTKK-UHFFFAOYSA-N 1 1 168.240 1.218 10 0 ADAEMO C[N@H+]1CC[C@](O)(c2ccccc2F)C1 59626104 572977788 /nfs/dbraw/zinc/97/77/88/572977788.db2.gz VWNZPGXLFAJQTF-LLVKDONJSA-N 1 1 195.237 1.349 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 51734228 572977886 /nfs/dbraw/zinc/97/78/86/572977886.db2.gz FAFDPUHGBTZLDX-NXEZZACHSA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@@H](O)CCCc1[nH+]ccn1C 86754434 572977855 /nfs/dbraw/zinc/97/78/55/572977855.db2.gz YXPHDESHXCSHNG-MRVPVSSYSA-N 1 1 168.240 1.124 10 0 ADAEMO CCCn1cc[nH+]c1CCCCO 86754419 572977880 /nfs/dbraw/zinc/97/78/80/572977880.db2.gz IWAWLBLESGCVLZ-UHFFFAOYSA-N 1 1 182.267 1.608 10 0 ADAEMO CC(C)[C@@H](O)CCCc1[nH+]ccn1C 86754541 572977918 /nfs/dbraw/zinc/97/79/18/572977918.db2.gz PWGUVXMOUVGTMX-JTQLQIEISA-N 1 1 196.294 1.760 10 0 ADAEMO CCC(C)(C)[C@@H]([NH3+])C(=O)OC(C)C 238189357 572977927 /nfs/dbraw/zinc/97/79/27/572977927.db2.gz XMAHPHAYCBLLNM-QMMMGPOBSA-N 1 1 187.283 1.702 10 0 ADAEMO CC(C)[C@H](O)CCCc1[nH+]ccn1C 86754540 572977938 /nfs/dbraw/zinc/97/79/38/572977938.db2.gz PWGUVXMOUVGTMX-SNVBAGLBSA-N 1 1 196.294 1.760 10 0 ADAEMO CC[C@@H](N)C[N@H+]1CC[C@H](C)C[C@@H]1C 51730910 572978142 /nfs/dbraw/zinc/97/81/42/572978142.db2.gz HQCXFWSWXMURTD-GARJFASQSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@H]([NH3+])CN1CC[C@H](C)C[C@@H]1C 51730910 572978144 /nfs/dbraw/zinc/97/81/44/572978144.db2.gz HQCXFWSWXMURTD-GARJFASQSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H](Cc1[nH+]ccn1C)C[C@@H](C)O 86754589 572978212 /nfs/dbraw/zinc/97/82/12/572978212.db2.gz JJUIINXEMNMKIS-RKDXNWHRSA-N 1 1 182.267 1.370 10 0 ADAEMO C[C@H](O)C[C@H](C)Cc1[nH+]ccn1C 86754596 572978254 /nfs/dbraw/zinc/97/82/54/572978254.db2.gz JJUIINXEMNMKIS-IUCAKERBSA-N 1 1 182.267 1.370 10 0 ADAEMO CCCn1cc[nH+]c1CC[C@@H](C)CO 86754561 572978266 /nfs/dbraw/zinc/97/82/66/572978266.db2.gz NLSHAFMQKCZJKF-SNVBAGLBSA-N 1 1 196.294 1.854 10 0 ADAEMO CCn1cc[nH+]c1CC[C@H](C)CO 86754567 572978299 /nfs/dbraw/zinc/97/82/99/572978299.db2.gz SCLKXJYAHIYCOZ-VIFPVBQESA-N 1 1 182.267 1.464 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H](C)C[C@@H](C)O 86754581 572978325 /nfs/dbraw/zinc/97/83/25/572978325.db2.gz GSBDFIVZSUKUPA-VHSXEESVSA-N 1 1 196.294 1.853 10 0 ADAEMO CCC[C@H](O)CCCc1[nH+]ccn1C 86754496 572978364 /nfs/dbraw/zinc/97/83/64/572978364.db2.gz SCVUVKSFBCKLSS-JTQLQIEISA-N 1 1 196.294 1.904 10 0 ADAEMO CCCn1cc[nH+]c1CC[C@H](C)CO 86754563 572978370 /nfs/dbraw/zinc/97/83/70/572978370.db2.gz NLSHAFMQKCZJKF-JTQLQIEISA-N 1 1 196.294 1.854 10 0 ADAEMO CCC[C@@H](O)CCCc1[nH+]ccn1C 86754498 572978394 /nfs/dbraw/zinc/97/83/94/572978394.db2.gz SCVUVKSFBCKLSS-SNVBAGLBSA-N 1 1 196.294 1.904 10 0 ADAEMO C[C@H]([NH3+])C(=O)Oc1cccs1 59696721 572978493 /nfs/dbraw/zinc/97/84/93/572978493.db2.gz HQABNDWGGLKNRX-YFKPBYRVSA-N 1 1 171.221 1.001 10 0 ADAEMO C[C@@H]1CC[N@@H+]([C@@H](CN)C2CC2)[C@H](C)C1 51730206 572978631 /nfs/dbraw/zinc/97/86/31/572978631.db2.gz MCRWDPHJFRIZOL-FOGDFJRCSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N)[C@H](C)C1 51731260 572978662 /nfs/dbraw/zinc/97/86/62/572978662.db2.gz WLNQDEYOCWIAKY-WISYIIOYSA-N 1 1 196.338 1.987 10 0 ADAEMO C[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH3+])[C@H](C)C1 51731260 572978663 /nfs/dbraw/zinc/97/86/63/572978663.db2.gz WLNQDEYOCWIAKY-WISYIIOYSA-N 1 1 196.338 1.987 10 0 ADAEMO Cn1cc[nH+]c1CCC[C@@H](O)C1CC1 86754553 572978678 /nfs/dbraw/zinc/97/86/78/572978678.db2.gz IDVZEBHEDWLSNU-SNVBAGLBSA-N 1 1 194.278 1.514 10 0 ADAEMO CC[C@@H](O)CCCc1[nH+]ccn1C 86754528 572978694 /nfs/dbraw/zinc/97/86/94/572978694.db2.gz GWPSASJOILAKTQ-SECBINFHSA-N 1 1 182.267 1.514 10 0 ADAEMO CCn1cc[nH+]c1CC[C@@H](C)CO 86754565 572978784 /nfs/dbraw/zinc/97/87/84/572978784.db2.gz SCLKXJYAHIYCOZ-SECBINFHSA-N 1 1 182.267 1.464 10 0 ADAEMO CC[C@H](O)CCCc1[nH+]ccn1C 86754525 572978799 /nfs/dbraw/zinc/97/87/99/572978799.db2.gz GWPSASJOILAKTQ-VIFPVBQESA-N 1 1 182.267 1.514 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H](C)C[C@H](C)O 86754585 572978812 /nfs/dbraw/zinc/97/88/12/572978812.db2.gz GSBDFIVZSUKUPA-UWVGGRQHSA-N 1 1 196.294 1.853 10 0 ADAEMO CC[C@H](CN)[N@H+]1CC[C@H](C)C[C@@H]1C 51730030 572978951 /nfs/dbraw/zinc/97/89/51/572978951.db2.gz VBJBRKDEKNKLLS-GARJFASQSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)CC[C@@H](O)Cc1[nH+]ccn1C 86751294 572978957 /nfs/dbraw/zinc/97/89/57/572978957.db2.gz CZQRVDXPMOTXMX-SNVBAGLBSA-N 1 1 196.294 1.760 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H](O)C1CCC1 86751409 572978963 /nfs/dbraw/zinc/97/89/63/572978963.db2.gz BKHOXVIGVMBZFY-SNVBAGLBSA-N 1 1 194.278 1.607 10 0 ADAEMO C[C@H]1CC[N@@H+](CCO)[C@H](C)C1 51734209 572979102 /nfs/dbraw/zinc/97/91/02/572979102.db2.gz VJTSGSUHOSIUHL-DTWKUNHWSA-N 1 1 157.257 1.099 10 0 ADAEMO C[C@H]1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 51734229 572979154 /nfs/dbraw/zinc/97/91/54/572979154.db2.gz FAFDPUHGBTZLDX-VHSXEESVSA-N 1 1 185.311 1.878 10 0 ADAEMO CCn1cc[nH+]c1C[C@H](C)C[C@H](C)O 86754587 572979174 /nfs/dbraw/zinc/97/91/74/572979174.db2.gz GSBDFIVZSUKUPA-ZJUUUORDSA-N 1 1 196.294 1.853 10 0 ADAEMO Cc1ccccc1CC[NH2+]C1CNC1 86762855 572979197 /nfs/dbraw/zinc/97/91/97/572979197.db2.gz PSABPFPUZYKEKW-UHFFFAOYSA-N 1 1 190.290 1.099 10 0 ADAEMO C[C@H](O)C[C@@H](C)Cc1[nH+]ccn1C 86754594 572979362 /nfs/dbraw/zinc/97/93/62/572979362.db2.gz JJUIINXEMNMKIS-BDAKNGLRSA-N 1 1 182.267 1.370 10 0 ADAEMO CCCn1cc[nH+]c1CCC[C@@H](C)O 86754424 572979422 /nfs/dbraw/zinc/97/94/22/572979422.db2.gz QVNGAWFZOJRPQV-SNVBAGLBSA-N 1 1 196.294 1.997 10 0 ADAEMO C[C@@H](O)C[C@H](C)Cc1[nH+]ccn1C 86754591 572979430 /nfs/dbraw/zinc/97/94/30/572979430.db2.gz JJUIINXEMNMKIS-DTWKUNHWSA-N 1 1 182.267 1.370 10 0 ADAEMO CC[C@@](C)([NH3+])CN(C)CCCOC 86810267 572983347 /nfs/dbraw/zinc/98/33/47/572983347.db2.gz ACSKFXBIUVZGFV-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H]1CO 299904126 572979950 /nfs/dbraw/zinc/97/99/50/572979950.db2.gz BOXPOFUTOKNCAE-KXUCPTDWSA-N 1 1 171.284 1.488 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CCC2)[C@H]1CN 299907871 572980041 /nfs/dbraw/zinc/98/00/41/572980041.db2.gz HTUMYOXBSZKOTR-ONGXEEELSA-N 1 1 182.311 1.456 10 0 ADAEMO CCC([NH3+])(CC)CN(C)CC1CC1 86814438 572980148 /nfs/dbraw/zinc/98/01/48/572980148.db2.gz XRGQVJMGSWHRAI-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CO[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](O)C2)C1 299908361 572980280 /nfs/dbraw/zinc/98/02/80/572980280.db2.gz JJAJNTHXNIYGNW-OUAUKWLOSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@H]1CC[N@H+](C2CCCCC2)[C@H]1CN 299910672 572980532 /nfs/dbraw/zinc/98/05/32/572980532.db2.gz MGSXUNIZMGXJHB-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO CO[C@@H]1CCC[N@H+]([C@H]2CC[C@H](O)C2)C1 299908359 572980609 /nfs/dbraw/zinc/98/06/09/572980609.db2.gz JJAJNTHXNIYGNW-GARJFASQSA-N 1 1 199.294 1.011 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H](C)[C@H]1CO 299904128 572980708 /nfs/dbraw/zinc/98/07/08/572980708.db2.gz BOXPOFUTOKNCAE-LPEHRKFASA-N 1 1 171.284 1.488 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2CCC2)[C@H]1CN 299907870 572980728 /nfs/dbraw/zinc/98/07/28/572980728.db2.gz HTUMYOXBSZKOTR-KOLCDFICSA-N 1 1 182.311 1.456 10 0 ADAEMO CC[C@@H]1CCC[N@H+]1C[C@](C)(N)CC 86809243 572982677 /nfs/dbraw/zinc/98/26/77/572982677.db2.gz KECJDGCVKWREFR-GHMZBOCLSA-N 1 1 184.327 1.988 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1C[C@H](C)C(N)=O 250308799 572981145 /nfs/dbraw/zinc/98/11/45/572981145.db2.gz LNRDMQPIKQUBTH-UWVGGRQHSA-N 1 1 198.310 1.372 10 0 ADAEMO C[C@@H]1CC[N@H+](C2CCCCC2)[C@H]1CN 299910673 572981268 /nfs/dbraw/zinc/98/12/68/572981268.db2.gz MGSXUNIZMGXJHB-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO CO[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](O)C2)C1 299908360 572981275 /nfs/dbraw/zinc/98/12/75/572981275.db2.gz JJAJNTHXNIYGNW-HBNTYKKESA-N 1 1 199.294 1.011 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]CCC1CC1 86810680 572982359 /nfs/dbraw/zinc/98/23/59/572982359.db2.gz FJVKQBDONOSHQK-SNVBAGLBSA-N 1 1 170.300 1.504 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1C[C@H](C)C(N)=O 250308801 572981442 /nfs/dbraw/zinc/98/14/42/572981442.db2.gz LNRDMQPIKQUBTH-VHSXEESVSA-N 1 1 198.310 1.372 10 0 ADAEMO CCN(CC)C[C@](C)([NH3+])CC 86808737 572982366 /nfs/dbraw/zinc/98/23/66/572982366.db2.gz NBQGNGDOSQKFMB-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ccoc2)C[C@H]1O 299912226 572981565 /nfs/dbraw/zinc/98/15/65/572981565.db2.gz OBMWCYTXDFWLTE-GXSJLCMTSA-N 1 1 195.262 1.482 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@H](C)[C@H](O)C1 299911757 572981571 /nfs/dbraw/zinc/98/15/71/572981571.db2.gz NHSZIQMDTAPMNV-GXSJLCMTSA-N 1 1 185.311 1.878 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@H](C)[C@@H](O)C1 299911467 572981576 /nfs/dbraw/zinc/98/15/76/572981576.db2.gz MTVDTCIFYZKEFX-QXEWZRGKSA-N 1 1 199.294 1.057 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2ccoc2)C[C@H]1O 299912227 572981579 /nfs/dbraw/zinc/98/15/79/572981579.db2.gz OBMWCYTXDFWLTE-MWLCHTKSSA-N 1 1 195.262 1.482 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@@H](C)[C@H](O)C1 299911468 572981583 /nfs/dbraw/zinc/98/15/83/572981583.db2.gz MTVDTCIFYZKEFX-WCABBAIRSA-N 1 1 199.294 1.057 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@@H](C)[C@H](O)C1 299911758 572981604 /nfs/dbraw/zinc/98/16/04/572981604.db2.gz NHSZIQMDTAPMNV-MWLCHTKSSA-N 1 1 185.311 1.878 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@H](C)[C@H](O)C1 299911466 572981620 /nfs/dbraw/zinc/98/16/20/572981620.db2.gz MTVDTCIFYZKEFX-ATZCPNFKSA-N 1 1 199.294 1.057 10 0 ADAEMO CC[C@@](C)(N)C[NH2+][C@@H]1CC1(C)C 86810005 572981792 /nfs/dbraw/zinc/98/17/92/572981792.db2.gz YZBUHUMKPQROMQ-PSASIEDQSA-N 1 1 170.300 1.502 10 0 ADAEMO CC[C@](C)([NH3+])CN(C)[C@@H](C)C1CC1 86809138 572981822 /nfs/dbraw/zinc/98/18/22/572981822.db2.gz LBPSZGKUFQVKLS-ONGXEEELSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[N@@H+](C)C[C@](C)([NH3+])CC 86809029 572981828 /nfs/dbraw/zinc/98/18/28/572981828.db2.gz NQDMHTFQOMWAOH-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCCN(C)C[C@](C)([NH3+])CC 86809029 572981829 /nfs/dbraw/zinc/98/18/29/572981829.db2.gz NQDMHTFQOMWAOH-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]C[C@@H](C)C(C)C 86810605 572981898 /nfs/dbraw/zinc/98/18/98/572981898.db2.gz MNXBERRDHGUHAB-GHMZBOCLSA-N 1 1 186.343 1.996 10 0 ADAEMO CC[C@@](C)([NH3+])CN(C)CC(C)C 86809037 572981976 /nfs/dbraw/zinc/98/19/76/572981976.db2.gz YZYQSHZIEHXGCM-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CC[C@](C)(N)C[NH2+][C@H]1CC1(C)C 86810007 572981999 /nfs/dbraw/zinc/98/19/99/572981999.db2.gz YZBUHUMKPQROMQ-WPRPVWTQSA-N 1 1 170.300 1.502 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]CC(C)C 86809316 572982014 /nfs/dbraw/zinc/98/20/14/572982014.db2.gz NOZVKINBKDFXJV-SECBINFHSA-N 1 1 158.289 1.359 10 0 ADAEMO CC[C@](C)([NH3+])C[N@@H+](C)CC1CC1 86809248 572982037 /nfs/dbraw/zinc/98/20/37/572982037.db2.gz VWTSZZIGXFGDFV-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@](C)([NH3+])CN(C)CC1CC1 86809248 572982038 /nfs/dbraw/zinc/98/20/38/572982038.db2.gz VWTSZZIGXFGDFV-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@](C)(N)C[N@H+](C)CC1CC1 86809248 572982039 /nfs/dbraw/zinc/98/20/39/572982039.db2.gz VWTSZZIGXFGDFV-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@](C)(N)C[N@@H+](C)CC1CC1 86809248 572982040 /nfs/dbraw/zinc/98/20/40/572982040.db2.gz VWTSZZIGXFGDFV-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@](C)(N)C[NH2+][C@@H]1CC1(C)C 86810002 572982044 /nfs/dbraw/zinc/98/20/44/572982044.db2.gz YZBUHUMKPQROMQ-SCZZXKLOSA-N 1 1 170.300 1.502 10 0 ADAEMO CO[C@@H]1C[N@H+]([C@H](C)C(C)=O)CC[C@H]1C 299901738 572982047 /nfs/dbraw/zinc/98/20/47/572982047.db2.gz BNPHLKNJIIJOAH-FXPVBKGRSA-N 1 1 199.294 1.321 10 0 ADAEMO CC[C@](C)([NH3+])C[N@@H+](C)CCCOC 86810265 572982050 /nfs/dbraw/zinc/98/20/50/572982050.db2.gz ACSKFXBIUVZGFV-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO CC[C@](C)([NH3+])CN(C)CCCOC 86810265 572982051 /nfs/dbraw/zinc/98/20/51/572982051.db2.gz ACSKFXBIUVZGFV-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO CC[C@@](C)([NH3+])CN(C)CC1CCC1 86810237 572982057 /nfs/dbraw/zinc/98/20/57/572982057.db2.gz LRLACYNWWLIJES-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[N@@H+](C[C@@](C)([NH3+])CC)C1CC1 86809027 572982079 /nfs/dbraw/zinc/98/20/79/572982079.db2.gz OXTVWVBMKRKGCK-NSHDSACASA-N 1 1 184.327 1.988 10 0 ADAEMO CCCN(C[C@@](C)([NH3+])CC)C1CC1 86809027 572982080 /nfs/dbraw/zinc/98/20/80/572982080.db2.gz OXTVWVBMKRKGCK-NSHDSACASA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[N@H+](C[C@@](C)(N)CC)C1CC1 86809027 572982081 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ADAEMO CC[C@](C)(N)C[NH2+]CC(C)(C)C 86809374 572982288 /nfs/dbraw/zinc/98/22/88/572982288.db2.gz FRGLQNDAVXJVCN-JTQLQIEISA-N 1 1 172.316 1.750 10 0 ADAEMO CC[C@@](C)([NH3+])CNCCc1ccco1 86809683 572982301 /nfs/dbraw/zinc/98/23/01/572982301.db2.gz UCJYFBQFQDXNOP-LLVKDONJSA-N 1 1 196.294 1.539 10 0 ADAEMO CC[C@](C)([NH3+])CNCCc1ccco1 86809680 572982308 /nfs/dbraw/zinc/98/23/08/572982308.db2.gz UCJYFBQFQDXNOP-NSHDSACASA-N 1 1 196.294 1.539 10 0 ADAEMO CC[C@](C)(N)C[NH2+]C(C1CC1)C1CC1 86809686 572982327 /nfs/dbraw/zinc/98/23/27/572982327.db2.gz YUODUGWPTMHJLF-LBPRGKRZSA-N 1 1 196.338 1.892 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]C1CCCC1 86809321 572982350 /nfs/dbraw/zinc/98/23/50/572982350.db2.gz UDACMKJMDLQYHU-SNVBAGLBSA-N 1 1 170.300 1.646 10 0 ADAEMO CC[C@@H](C)[NH2+]C[C@](C)(N)CC 86809298 572982429 /nfs/dbraw/zinc/98/24/29/572982429.db2.gz JDCUFDRXHIQEOK-RKDXNWHRSA-N 1 1 158.289 1.502 10 0 ADAEMO CC[C@@H](C)C[NH2+]C[C@](C)(N)CC 86810194 572982529 /nfs/dbraw/zinc/98/25/29/572982529.db2.gz 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86808734 572982746 /nfs/dbraw/zinc/98/27/46/572982746.db2.gz NBQGNGDOSQKFMB-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CC[C@@](C)([NH3+])C[N@@H+](C)CC1CC1 86809251 572982770 /nfs/dbraw/zinc/98/27/70/572982770.db2.gz VWTSZZIGXFGDFV-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@](C)([NH3+])CN(C)CC1CC1 86809251 572982771 /nfs/dbraw/zinc/98/27/71/572982771.db2.gz VWTSZZIGXFGDFV-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@](C)(N)C[N@H+](C)CC1CC1 86809251 572982773 /nfs/dbraw/zinc/98/27/73/572982773.db2.gz VWTSZZIGXFGDFV-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@](C)(N)C[N@@H+](C)CC1CC1 86809251 572982774 /nfs/dbraw/zinc/98/27/74/572982774.db2.gz VWTSZZIGXFGDFV-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@](C)(N)C[NH2+]C[C@@H](C)C(C)C 86810602 572982787 /nfs/dbraw/zinc/98/27/87/572982787.db2.gz MNXBERRDHGUHAB-MNOVXSKESA-N 1 1 186.343 1.996 10 0 ADAEMO CC[C@H](C)C[NH2+]C[C@](C)(N)CC 86810197 572982791 /nfs/dbraw/zinc/98/27/91/572982791.db2.gz DUKUOEGNXNPCDZ-VHSXEESVSA-N 1 1 172.316 1.750 10 0 ADAEMO CC[C@@](C)([NH3+])C[N@@H+](C)CCCOC 86810267 572983346 /nfs/dbraw/zinc/98/33/46/572983346.db2.gz ACSKFXBIUVZGFV-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]CC(C)(C)C 86809377 572982834 /nfs/dbraw/zinc/98/28/34/572982834.db2.gz FRGLQNDAVXJVCN-SNVBAGLBSA-N 1 1 172.316 1.750 10 0 ADAEMO CC[C@](C)(N)C[NH2+]C[C@H](C)C(C)C 86810608 572982873 /nfs/dbraw/zinc/98/28/73/572982873.db2.gz MNXBERRDHGUHAB-QWRGUYRKSA-N 1 1 186.343 1.996 10 0 ADAEMO CC[C@](C)(N)C[NH2+]CC1CC1 86809341 572982896 /nfs/dbraw/zinc/98/28/96/572982896.db2.gz YHFASRIVZOSRDI-VIFPVBQESA-N 1 1 156.273 1.113 10 0 ADAEMO CC[C@@H](C)[NH2+]C[C@@](C)(N)CC 86809303 572982933 /nfs/dbraw/zinc/98/29/33/572982933.db2.gz JDCUFDRXHIQEOK-BDAKNGLRSA-N 1 1 158.289 1.502 10 0 ADAEMO CC[C@@](C)([NH3+])CN(C)[C@@H](C)C1CC1 86809141 572982941 /nfs/dbraw/zinc/98/29/41/572982941.db2.gz LBPSZGKUFQVKLS-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[NH2+]CC(N)(CC)CC 86814446 572982964 /nfs/dbraw/zinc/98/29/64/572982964.db2.gz SPYLJVCPGXDTPA-UHFFFAOYSA-N 1 1 158.289 1.504 10 0 ADAEMO CC[C@H]1CCC[N@H+]1C[C@](C)(N)CC 86809246 572983000 /nfs/dbraw/zinc/98/30/00/572983000.db2.gz KECJDGCVKWREFR-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CCCC[N@@H+](C)C[C@@](C)([NH3+])CC 86808809 572983017 /nfs/dbraw/zinc/98/30/17/572983017.db2.gz JEDRKOGNIDEINJ-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CCCCN(C)C[C@@](C)([NH3+])CC 86808809 572983018 /nfs/dbraw/zinc/98/30/18/572983018.db2.gz JEDRKOGNIDEINJ-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CC[C@H](C)C[NH2+]C[C@@](C)(N)CC 86810203 572983088 /nfs/dbraw/zinc/98/30/88/572983088.db2.gz DUKUOEGNXNPCDZ-UWVGGRQHSA-N 1 1 172.316 1.750 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]C(C1CC1)C1CC1 86809688 572983096 /nfs/dbraw/zinc/98/30/96/572983096.db2.gz YUODUGWPTMHJLF-GFCCVEGCSA-N 1 1 196.338 1.892 10 0 ADAEMO CCC[N@@H+](C[C@](C)([NH3+])CC)C1CC1 86809024 572983111 /nfs/dbraw/zinc/98/31/11/572983111.db2.gz OXTVWVBMKRKGCK-LLVKDONJSA-N 1 1 184.327 1.988 10 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IXZIHEXLQGXEBE-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@@](C)([NH3+])CN(CC1CC1)C1CC1 86810600 572983234 /nfs/dbraw/zinc/98/32/34/572983234.db2.gz UWVLCPQOJOBBAM-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@](C)(N)C[NH2+]C1CCCC1 86809319 572983262 /nfs/dbraw/zinc/98/32/62/572983262.db2.gz UDACMKJMDLQYHU-JTQLQIEISA-N 1 1 170.300 1.646 10 0 ADAEMO CCN(CC1CC1)C[C@@](C)([NH3+])CC 86810469 572983267 /nfs/dbraw/zinc/98/32/67/572983267.db2.gz UCIMCAOOLDTRQI-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCN(C[C@@](C)([NH3+])CC)C(C)C 86808993 572983275 /nfs/dbraw/zinc/98/32/75/572983275.db2.gz COTNQXGDKXPVHV-JTQLQIEISA-N 1 1 172.316 1.844 10 0 ADAEMO CCCN(CC)C[C@@](C)([NH3+])CC 86809017 572983318 /nfs/dbraw/zinc/98/33/18/572983318.db2.gz FVJUWWGNSQBDRP-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CC[C@](C)([NH3+])CN(CC1CC1)C1CC1 86810597 572983340 /nfs/dbraw/zinc/98/33/40/572983340.db2.gz UWVLCPQOJOBBAM-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCC[NH2+]C[C@@](C)(N)CC 86809355 572983344 /nfs/dbraw/zinc/98/33/44/572983344.db2.gz RRQLIWOBDLDXHH-VIFPVBQESA-N 1 1 158.289 1.504 10 0 ADAEMO CCCC[NH2+]C[C@](C)(N)CC 86809352 572983373 /nfs/dbraw/zinc/98/33/73/572983373.db2.gz RRQLIWOBDLDXHH-SECBINFHSA-N 1 1 158.289 1.504 10 0 ADAEMO CCC[N@@H+](C)C[C@@](C)([NH3+])CC 86809032 572983395 /nfs/dbraw/zinc/98/33/95/572983395.db2.gz NQDMHTFQOMWAOH-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CCCN(C)C[C@@](C)([NH3+])CC 86809032 572983396 /nfs/dbraw/zinc/98/33/96/572983396.db2.gz NQDMHTFQOMWAOH-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CC[N@@H+](C[C@@](C)([NH3+])CC)C1CC1 86808979 572983413 /nfs/dbraw/zinc/98/34/13/572983413.db2.gz IXZIHEXLQGXEBE-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CCN(C[C@@](C)([NH3+])CC)C1CC1 86808979 572983415 /nfs/dbraw/zinc/98/34/15/572983415.db2.gz IXZIHEXLQGXEBE-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@](C)([NH3+])CN(C)C[C@@H]1C[C@@H]1C 86810463 572983423 /nfs/dbraw/zinc/98/34/23/572983423.db2.gz RNTZLHSVURSHOO-DCAQKATOSA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@@](C)(N)C[NH2+][C@H]1CC1(C)C 86810011 572983446 /nfs/dbraw/zinc/98/34/46/572983446.db2.gz YZBUHUMKPQROMQ-WCBMZHEXSA-N 1 1 170.300 1.502 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]C[C@H](C)C(C)C 86810611 572983478 /nfs/dbraw/zinc/98/34/78/572983478.db2.gz MNXBERRDHGUHAB-WDEREUQCSA-N 1 1 186.343 1.996 10 0 ADAEMO CC[C@](C)([NH3+])CN(C)CC(C)C 86809035 572983487 /nfs/dbraw/zinc/98/34/87/572983487.db2.gz YZYQSHZIEHXGCM-JTQLQIEISA-N 1 1 172.316 1.702 10 0 ADAEMO C=CC=CCC[C@H]([NH2+]C)c1c[nH]nn1 713670032 572983727 /nfs/dbraw/zinc/98/37/27/572983727.db2.gz OALLBWHXZNFCEB-MOVJSRMASA-N 1 1 192.266 1.588 10 0 ADAEMO C=CC=CCC[C@H]([NH2+]C)c1cn[nH]n1 713670032 572983729 /nfs/dbraw/zinc/98/37/29/572983729.db2.gz OALLBWHXZNFCEB-MOVJSRMASA-N 1 1 192.266 1.588 10 0 ADAEMO CO[C@H]1CCC[N@H+]([C@H](C)C(C)=O)C1 299902004 572983818 /nfs/dbraw/zinc/98/38/18/572983818.db2.gz BXEDLGAWPWXFDO-SCZZXKLOSA-N 1 1 185.267 1.075 10 0 ADAEMO CCCC[NH2+]CC(N)(CC)CC 86814466 572984007 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/nfs/dbraw/zinc/00/18/52/573001852.db2.gz GFULIQLKAUEOFW-VIFPVBQESA-N 1 1 194.278 1.705 10 0 ADAEMO COC(=O)[C@@]1(C(C)C)CCCC[NH2+]1 258209147 573002024 /nfs/dbraw/zinc/00/20/24/573002024.db2.gz QJIVFXWXDDLSLP-JTQLQIEISA-N 1 1 185.267 1.328 10 0 ADAEMO CC(C)n1cc(N)[nH+]c1N(C)C 257918045 573002065 /nfs/dbraw/zinc/00/20/65/573002065.db2.gz QTBSVELGANMGGE-UHFFFAOYSA-N 1 1 168.244 1.112 10 0 ADAEMO c1ccc2c(c1)C[NH2+][C@@H]2c1cnco1 104537451 573002163 /nfs/dbraw/zinc/00/21/63/573002163.db2.gz JTMRFBNQJYWRJB-NSHDSACASA-N 1 1 186.214 1.867 10 0 ADAEMO COC(=O)[C@@H]1C[C@H](C2CCCC2)[NH2+]1 257923637 573002196 /nfs/dbraw/zinc/00/21/96/573002196.db2.gz RUGBCGZBICMVTN-BDAKNGLRSA-N 1 1 183.251 1.080 10 0 ADAEMO CCC(CC)CN1CC[NH2+][C@H](C)C1=O 128370676 573002200 /nfs/dbraw/zinc/00/22/00/573002200.db2.gz ALMJPUZPJUTMER-SECBINFHSA-N 1 1 198.310 1.243 10 0 ADAEMO CC[C@@H](N)C[N@@H+](CC1CC1)C(C)C 42593655 573002217 /nfs/dbraw/zinc/00/22/17/573002217.db2.gz HOFNEXPQXOGEKM-LLVKDONJSA-N 1 1 184.327 1.844 10 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/nfs/dbraw/zinc/00/25/87/573002587.db2.gz KQQGVOSHIXPVAH-QWRGUYRKSA-N 1 1 183.295 1.489 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1CC(C)(C)ON 259308131 573002860 /nfs/dbraw/zinc/00/28/60/573002860.db2.gz CBCMZLLSRHHYBW-SECBINFHSA-N 1 1 186.299 1.530 10 0 ADAEMO Cc1oc(C[NH3+])nc1[C@@H]1CCSC1 258215368 573003047 /nfs/dbraw/zinc/00/30/47/573003047.db2.gz YAHNPCWVYRIMIX-SSDOTTSWSA-N 1 1 198.291 1.662 10 0 ADAEMO O=Cc1ccc(O)cc1[C@@H]1CCC[NH2+]1 258216000 573003105 /nfs/dbraw/zinc/00/31/05/573003105.db2.gz ZXXFHFRBRAFUSJ-NSHDSACASA-N 1 1 191.230 1.629 10 0 ADAEMO CC[N@H+]1C[C@@H](C)C(=O)CC1(C)C 238245138 573003201 /nfs/dbraw/zinc/00/32/01/573003201.db2.gz QISZZBIZPXBNGD-MRVPVSSYSA-N 1 1 169.268 1.696 10 0 ADAEMO NC([NH3+])c1ccc(Cl)cc1Cl 259305613 573003439 /nfs/dbraw/zinc/00/34/39/573003439.db2.gz KHRKDLUMEPWCMA-UHFFFAOYSA-N 1 1 191.061 1.909 10 0 ADAEMO C[N@@H+](CC1=CCCOC1)C(C)(C)CO 128354432 573003493 /nfs/dbraw/zinc/00/34/93/573003493.db2.gz MZTRQPKKYJADJS-UHFFFAOYSA-N 1 1 199.294 1.036 10 0 ADAEMO CC[C@H]1CC[C@@H](C)[N@@H+]1C[C@H](C)NC 308220213 573003551 /nfs/dbraw/zinc/00/35/51/573003551.db2.gz OAZXKUPEHLEZJT-AXFHLTTASA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H]1CC[C@@H](C)[N@H+]1C[C@H](C)NC 308220213 573003556 /nfs/dbraw/zinc/00/35/56/573003556.db2.gz OAZXKUPEHLEZJT-AXFHLTTASA-N 1 1 184.327 1.857 10 0 ADAEMO CC1(C)[C@H]2CC[C@]1(C)C[N@@H+](CCN)C2 238245078 573003586 /nfs/dbraw/zinc/00/35/86/573003586.db2.gz GNJQTSKQICJWLU-CMPLNLGQSA-N 1 1 196.338 1.703 10 0 ADAEMO CC1(C)[C@H]2CC[C@]1(C)CN(CC[NH3+])C2 238245078 573003602 /nfs/dbraw/zinc/00/36/02/573003602.db2.gz GNJQTSKQICJWLU-CMPLNLGQSA-N 1 1 196.338 1.703 10 0 ADAEMO Cn1ncc(Cl)c1C(F)(F)C[NH3+] 258215428 573003756 /nfs/dbraw/zinc/00/37/56/573003756.db2.gz YAVIKSBZSFNGQJ-UHFFFAOYSA-N 1 1 195.600 1.124 10 0 ADAEMO CCC[C@H]1CC[C@@]2(C)NCC[N@@H+]2C1 238244754 573003920 /nfs/dbraw/zinc/00/39/20/573003920.db2.gz GXPJMMKZVQDSOB-QWRGUYRKSA-N 1 1 182.311 1.818 10 0 ADAEMO CCC[C@H]1CC[C@@]2(C)NCC[N@H+]2C1 238244754 573003927 /nfs/dbraw/zinc/00/39/27/573003927.db2.gz GXPJMMKZVQDSOB-QWRGUYRKSA-N 1 1 182.311 1.818 10 0 ADAEMO OCC[N@H+](Cc1ccoc1)CC1CC1 128348416 573004003 /nfs/dbraw/zinc/00/40/03/573004003.db2.gz NMFOLZZRCNTEJC-UHFFFAOYSA-N 1 1 195.262 1.484 10 0 ADAEMO COCCCC[N@H+]1CCC[C@H]2C[C@H]21 308220304 573004052 /nfs/dbraw/zinc/00/40/52/573004052.db2.gz CEKVBLHZMWAYJT-WDEREUQCSA-N 1 1 183.295 1.897 10 0 ADAEMO Cn1ccc(C[N@@H+](C)C(C)(C)CO)c1 128351328 573004456 /nfs/dbraw/zinc/00/44/56/573004456.db2.gz ZGCSUERUTMFXEB-UHFFFAOYSA-N 1 1 196.294 1.228 10 0 ADAEMO C[C@H]([NH3+])CN[C@H](C)Cc1ccco1 42593989 573004660 /nfs/dbraw/zinc/00/46/60/573004660.db2.gz SSYJNEQCWBJYGH-DTWKUNHWSA-N 1 1 182.267 1.147 10 0 ADAEMO C[C@H](N)C[NH2+][C@H](C)Cc1ccco1 42593989 573004669 /nfs/dbraw/zinc/00/46/69/573004669.db2.gz SSYJNEQCWBJYGH-DTWKUNHWSA-N 1 1 182.267 1.147 10 0 ADAEMO CCC[N@@H+](CC1CC1)[C@@H]1C[C@H]1CO 308219755 573004832 /nfs/dbraw/zinc/00/48/32/573004832.db2.gz KQQGVOSHIXPVAH-WDEREUQCSA-N 1 1 183.295 1.489 10 0 ADAEMO CC[NH2+]c1cc(C)c(N)cc1O 238250671 573005161 /nfs/dbraw/zinc/00/51/61/573005161.db2.gz MATJSCOBYNAGEQ-UHFFFAOYSA-N 1 1 166.224 1.715 10 0 ADAEMO CCCc1ncc(C)[nH+]c1NN 104546894 573005673 /nfs/dbraw/zinc/00/56/73/573005673.db2.gz VZJSJFUSNSHNAB-UHFFFAOYSA-N 1 1 166.228 1.023 10 0 ADAEMO CCCc1nc(C)c(C)[nH+]c1NN 104548318 573005318 /nfs/dbraw/zinc/00/53/18/573005318.db2.gz OTRKBBKGATWFNO-UHFFFAOYSA-N 1 1 180.255 1.332 10 0 ADAEMO CCCC[C@H]1C[N@H+](C)CCC1=O 238244318 573005678 /nfs/dbraw/zinc/00/56/78/573005678.db2.gz QVNGJDOMLSOWCM-VIFPVBQESA-N 1 1 169.268 1.697 10 0 ADAEMO C[N@H+]1CCCC[C@H]1CC(C)(C)ON 259308132 573005380 /nfs/dbraw/zinc/00/53/80/573005380.db2.gz CBCMZLLSRHHYBW-VIFPVBQESA-N 1 1 186.299 1.530 10 0 ADAEMO CCCC[C@H]1C[N@@H+](C)CCC1=O 238244318 573005681 /nfs/dbraw/zinc/00/56/81/573005681.db2.gz QVNGJDOMLSOWCM-VIFPVBQESA-N 1 1 169.268 1.697 10 0 ADAEMO [NH3+]CC(=O)c1cc(F)cc2ccoc12 258214331 573005509 /nfs/dbraw/zinc/00/55/09/573005509.db2.gz ZTISJLCZIDZPEW-UHFFFAOYSA-N 1 1 193.177 1.713 10 0 ADAEMO CC[C@H]1CC[C@H](C)[N@@H+]1C[C@H](C)NC 308220543 573005516 /nfs/dbraw/zinc/00/55/16/573005516.db2.gz OAZXKUPEHLEZJT-DCAQKATOSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H]1CC[C@H](C)[N@H+]1C[C@H](C)NC 308220543 573005519 /nfs/dbraw/zinc/00/55/19/573005519.db2.gz OAZXKUPEHLEZJT-DCAQKATOSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@@H]([NH3+])CNCCc1ccco1 42594392 573005748 /nfs/dbraw/zinc/00/57/48/573005748.db2.gz NUOINSKRVFTETM-SECBINFHSA-N 1 1 182.267 1.149 10 0 ADAEMO CCC(C)(C)C[NH2+]Cc1ncn(C)n1 308472417 573005852 /nfs/dbraw/zinc/00/58/52/573005852.db2.gz ABKQQPOUEUYVEH-UHFFFAOYSA-N 1 1 196.298 1.341 10 0 ADAEMO C[C@H](Cc1ccco1)NCC(C)(C)[NH3+] 42594029 573005912 /nfs/dbraw/zinc/00/59/12/573005912.db2.gz HJIURGRTEGBTDV-SECBINFHSA-N 1 1 196.294 1.538 10 0 ADAEMO C[C@H](Cc1ccco1)[NH2+]CC(C)(C)N 42594029 573005920 /nfs/dbraw/zinc/00/59/20/573005920.db2.gz HJIURGRTEGBTDV-SECBINFHSA-N 1 1 196.294 1.538 10 0 ADAEMO CO[C@@H](C)c1ccccc1C(=O)C[NH3+] 259306945 573005924 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196.294 1.395 10 0 ADAEMO C[C@H]1CCC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 85418281 573009137 /nfs/dbraw/zinc/00/91/37/573009137.db2.gz SXSDKKROZJRWTQ-HBNTYKKESA-N 1 1 183.295 1.632 10 0 ADAEMO C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](O)C2)C1 85418277 573009260 /nfs/dbraw/zinc/00/92/60/573009260.db2.gz SXSDKKROZJRWTQ-OUAUKWLOSA-N 1 1 183.295 1.632 10 0 ADAEMO NCc1nc([C@H]2CCC[NH2+]2)cs1 259598605 573009279 /nfs/dbraw/zinc/00/92/79/573009279.db2.gz CYALEVAWJNMASW-ZCFIWIBFSA-N 1 1 183.280 1.026 10 0 ADAEMO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)C(=O)OC 308222002 573009373 /nfs/dbraw/zinc/00/93/73/573009373.db2.gz OPDSBGJAGAWCMD-XHNCKOQMSA-N 1 1 185.267 1.326 10 0 ADAEMO CC[C@H](N)C[NH2+][C@@H](C)Cc1ccco1 42594097 573010147 /nfs/dbraw/zinc/01/01/47/573010147.db2.gz LQTHYQUEWDODKF-UWVGGRQHSA-N 1 1 196.294 1.538 10 0 ADAEMO OC[C@H]1CCn2cc(C3CC3)[nH+]c2C1 258217960 573009500 /nfs/dbraw/zinc/00/95/00/573009500.db2.gz GKHQYBBQBXJDPU-QMMMGPOBSA-N 1 1 192.262 1.315 10 0 ADAEMO CC1(C)CCC[N@@H+]1C[C@@H](N)CC1CC1 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CC[N@H+](CC1CC1)C[C@@H](N)CC1CC1 308474865 573010411 /nfs/dbraw/zinc/01/04/11/573010411.db2.gz KQXJTPPOFBXNQG-LBPRGKRZSA-N 1 1 196.338 1.846 10 0 ADAEMO CCN(CC1CC1)C[C@@H]([NH3+])CC1CC1 308474865 573010415 /nfs/dbraw/zinc/01/04/15/573010415.db2.gz KQXJTPPOFBXNQG-LBPRGKRZSA-N 1 1 196.338 1.846 10 0 ADAEMO NCc1nc([C@@H]2CCC[NH2+]2)cs1 259598571 573010423 /nfs/dbraw/zinc/01/04/23/573010423.db2.gz CYALEVAWJNMASW-LURJTMIESA-N 1 1 183.280 1.026 10 0 ADAEMO C[C@@]1(c2cnc(C[NH3+])o2)CCSC1 258217246 573010505 /nfs/dbraw/zinc/01/05/05/573010505.db2.gz YGBIESMDIMJQCA-SECBINFHSA-N 1 1 198.291 1.528 10 0 ADAEMO CC(C)[N@H+]1CCCCNC(C)(C)C1 259308771 573010701 /nfs/dbraw/zinc/01/07/01/573010701.db2.gz HUWKKFXZEUGBRL-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCn1ccc(C[N@H+](C)CCF)c1 308221868 573010704 /nfs/dbraw/zinc/01/07/04/573010704.db2.gz CVTCRXJLMIRUTE-UHFFFAOYSA-N 1 1 184.258 1.909 10 0 ADAEMO CC(C)N1CCCC[NH2+]C(C)(C)C1 259308771 573010705 /nfs/dbraw/zinc/01/07/05/573010705.db2.gz HUWKKFXZEUGBRL-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCn1ccc(C[N@@H+](C)CCF)c1 308221868 573010713 /nfs/dbraw/zinc/01/07/13/573010713.db2.gz CVTCRXJLMIRUTE-UHFFFAOYSA-N 1 1 184.258 1.909 10 0 ADAEMO CC(C)OC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 308221617 573010738 /nfs/dbraw/zinc/01/07/38/573010738.db2.gz CJINZQNXHDXKSB-BDAKNGLRSA-N 1 1 183.251 1.032 10 0 ADAEMO CC(C)OC(=O)C[N@H+]1CC[C@@H]2C[C@@H]21 308221617 573010742 /nfs/dbraw/zinc/01/07/42/573010742.db2.gz CJINZQNXHDXKSB-BDAKNGLRSA-N 1 1 183.251 1.032 10 0 ADAEMO C[C@@H](O)C[N@@H+](C)C1CC(C(F)F)C1 308222088 573010777 /nfs/dbraw/zinc/01/07/77/573010777.db2.gz COWWYJRRBVGQMF-JECWYVHBSA-N 1 1 193.237 1.343 10 0 ADAEMO C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1(C)CCC1 235683161 573010906 /nfs/dbraw/zinc/01/09/06/573010906.db2.gz VUNIWVSLINREJP-QWRGUYRKSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCc1noc([C@H]([NH3+])CC2CC2)n1 308475541 573011005 /nfs/dbraw/zinc/01/10/05/573011005.db2.gz KYDRHXFOTVYCIB-MRVPVSSYSA-N 1 1 195.266 1.822 10 0 ADAEMO C[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 85418280 573011181 /nfs/dbraw/zinc/01/11/81/573011181.db2.gz SXSDKKROZJRWTQ-GMTAPVOTSA-N 1 1 183.295 1.632 10 0 ADAEMO C[C@H]1C[C@](O)(C2=CCCCC2)C[N@H+]1C 235682123 573011951 /nfs/dbraw/zinc/01/19/51/573011951.db2.gz DVDMAHREVDFYEM-CMPLNLGQSA-N 1 1 195.306 1.942 10 0 ADAEMO CC(=O)Nc1ncc(C[NH+](C)C)s1 113537867 573012130 /nfs/dbraw/zinc/01/21/30/573012130.db2.gz GSTVLZUBESBTHH-UHFFFAOYSA-N 1 1 199.279 1.163 10 0 ADAEMO CCCc1noc([C@@H]([NH3+])CC2CC2)n1 308475543 573012228 /nfs/dbraw/zinc/01/22/28/573012228.db2.gz KYDRHXFOTVYCIB-QMMMGPOBSA-N 1 1 195.266 1.822 10 0 ADAEMO CCCCC[N@@H+](C)C[C@@H](C)CO 128382702 573012579 /nfs/dbraw/zinc/01/25/79/573012579.db2.gz TXJPAMLGFCNNCI-SNVBAGLBSA-N 1 1 173.300 1.737 10 0 ADAEMO C[C@]1(c2cnc(C[NH3+])o2)CCSC1 258217249 573012622 /nfs/dbraw/zinc/01/26/22/573012622.db2.gz YGBIESMDIMJQCA-VIFPVBQESA-N 1 1 198.291 1.528 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1C/C=C\CCO 258220086 573012697 /nfs/dbraw/zinc/01/26/97/573012697.db2.gz OSKXMVVBXWFPEU-QUCGXOGASA-N 1 1 183.295 1.799 10 0 ADAEMO C[C@H]1CCC[C@H]([N@H+]2CC[C@@H](O)C2)C1 85418278 573012701 /nfs/dbraw/zinc/01/27/01/573012701.db2.gz SXSDKKROZJRWTQ-GARJFASQSA-N 1 1 183.295 1.632 10 0 ADAEMO CC[C@H](C)[N@H+]1CCC[C@H]1CO 85397013 573012712 /nfs/dbraw/zinc/01/27/12/573012712.db2.gz XOWRPMSWKSXAGD-IUCAKERBSA-N 1 1 157.257 1.242 10 0 ADAEMO C[C@@]1([C@H]2CCC[NH2+]2)CCCCN1 258218818 573012748 /nfs/dbraw/zinc/01/27/48/573012748.db2.gz OPPVADXGVRPNHR-ZJUUUORDSA-N 1 1 168.284 1.271 10 0 ADAEMO C[C@@]1([C@@H]2CCC[NH2+]2)CCCCN1 258218808 573012933 /nfs/dbraw/zinc/01/29/33/573012933.db2.gz OPPVADXGVRPNHR-UWVGGRQHSA-N 1 1 168.284 1.271 10 0 ADAEMO CCOC(=O)[C@@]1([NH2+]C(C)C)CC[C@@H]1C 308474641 573012956 /nfs/dbraw/zinc/01/29/56/573012956.db2.gz DAINBDSZIQHNJQ-GXSJLCMTSA-N 1 1 199.294 1.716 10 0 ADAEMO OC[C@@H]1CCn2cc(C3CC3)[nH+]c2C1 258217956 573012988 /nfs/dbraw/zinc/01/29/88/573012988.db2.gz GKHQYBBQBXJDPU-MRVPVSSYSA-N 1 1 192.262 1.315 10 0 ADAEMO CC[N@@H+](C[C@H]1CCOCO1)C1CC1 308224447 573013187 /nfs/dbraw/zinc/01/31/87/573013187.db2.gz MKHKQMBTOXRAKT-SNVBAGLBSA-N 1 1 185.267 1.234 10 0 ADAEMO C[C@]1([C@@H]2CCC[NH2+]2)CCCCN1 258218814 573013273 /nfs/dbraw/zinc/01/32/73/573013273.db2.gz OPPVADXGVRPNHR-VHSXEESVSA-N 1 1 168.284 1.271 10 0 ADAEMO [NH3+][C@H](CC1CC1)C(=O)OCCC1CC1 308474432 573013348 /nfs/dbraw/zinc/01/33/48/573013348.db2.gz KOHUPQHYLCIQLG-SNVBAGLBSA-N 1 1 197.278 1.457 10 0 ADAEMO CCCC[N@@H+](C)[C@H]1CCN(CC)C1 308222842 573013356 /nfs/dbraw/zinc/01/33/56/573013356.db2.gz LYYLHZCXBAWZTA-NSHDSACASA-N 1 1 184.327 1.813 10 0 ADAEMO CCCCN(C)[C@H]1CC[N@H+](CC)C1 308222842 573013360 /nfs/dbraw/zinc/01/33/60/573013360.db2.gz LYYLHZCXBAWZTA-NSHDSACASA-N 1 1 184.327 1.813 10 0 ADAEMO CCCCN(C)[C@H]1CC[N@@H+](CC)C1 308222842 573013364 /nfs/dbraw/zinc/01/33/64/573013364.db2.gz LYYLHZCXBAWZTA-NSHDSACASA-N 1 1 184.327 1.813 10 0 ADAEMO CC[C@](C)(CO)[N@H+]1CC[C@@H]1C 123441161 573013374 /nfs/dbraw/zinc/01/33/74/573013374.db2.gz XLRWCJSGXDBVNR-DTWKUNHWSA-N 1 1 157.257 1.242 10 0 ADAEMO C/C=C/C[N@H+](CC)CC(=O)NCC 308222813 573013773 /nfs/dbraw/zinc/01/37/73/573013773.db2.gz LXKSKCFWKGWRPO-QPJJXVBHSA-N 1 1 184.283 1.021 10 0 ADAEMO CC(C)[N@H+](Cc1cc[nH]c1)C[C@@H](C)O 128385558 573013833 /nfs/dbraw/zinc/01/38/33/573013833.db2.gz LDGLRXFDLYWJOQ-SNVBAGLBSA-N 1 1 196.294 1.606 10 0 ADAEMO CCCN(C)[C@@]1(C[NH3+])CCC1(C)C 308223811 573015316 /nfs/dbraw/zinc/01/53/16/573015316.db2.gz PPOBUYHGQZWMIB-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)[NH2+]CC[C@@H]1CCCCN1C 49633210 573014773 /nfs/dbraw/zinc/01/47/73/573014773.db2.gz UHPVHVPXFCGTMD-NSHDSACASA-N 1 1 184.327 1.859 10 0 ADAEMO CCCCc1cc[nH+]c(NN)n1 104559912 573014829 /nfs/dbraw/zinc/01/48/29/573014829.db2.gz RHZKOOVBCULIOU-UHFFFAOYSA-N 1 1 166.228 1.105 10 0 ADAEMO CC[N@@H+](CCCCF)C[C@@H](C)C[NH3+] 308223401 573014845 /nfs/dbraw/zinc/01/48/45/573014845.db2.gz PMJXRMBHRYMTNE-JTQLQIEISA-N 1 1 190.306 1.653 10 0 ADAEMO CC1(C)CC[C@H]1[NH2+]C[C@@H](N)CC1CC1 308479953 573014846 /nfs/dbraw/zinc/01/48/46/573014846.db2.gz GJXNAZAYMPAOCK-WDEREUQCSA-N 1 1 196.338 1.892 10 0 ADAEMO C[N@@H+](CCO)CC(C1CC1)C1CC1 308222571 573014901 /nfs/dbraw/zinc/01/49/01/573014901.db2.gz OYOFAUDZUGIYRM-UHFFFAOYSA-N 1 1 183.295 1.347 10 0 ADAEMO CC(C)C[C@@H]1C[N@H+](C)[C@@H](C(C)C)CN1 82384159 573014942 /nfs/dbraw/zinc/01/49/42/573014942.db2.gz JUZVOMXUQFZHGZ-VXGBXAGGSA-N 1 1 198.354 1.961 10 0 ADAEMO CC(C)C[C@@H]1C[N@@H+](C)[C@@H](C(C)C)CN1 82384159 573014949 /nfs/dbraw/zinc/01/49/49/573014949.db2.gz JUZVOMXUQFZHGZ-VXGBXAGGSA-N 1 1 198.354 1.961 10 0 ADAEMO [NH3+]Cc1cnc([C@H]2CCCCN2)s1 258225566 573015056 /nfs/dbraw/zinc/01/50/56/573015056.db2.gz VGSNUKPRDDSYFE-MRVPVSSYSA-N 1 1 197.307 1.416 10 0 ADAEMO CC[N@@H+](CCCCF)C[C@H](C)C[NH3+] 308223405 573015057 /nfs/dbraw/zinc/01/50/57/573015057.db2.gz PMJXRMBHRYMTNE-SNVBAGLBSA-N 1 1 190.306 1.653 10 0 ADAEMO CC(C)c1cn2c([nH+]1)CC[C@@H](O)C2 257923485 573015101 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198.354 1.962 10 0 ADAEMO C[C@@H]1CCNC[C@H]1[N@@H+](C)CC(C)(C)C 85439735 573025249 /nfs/dbraw/zinc/02/52/49/573025249.db2.gz OVPNOACQIVMREH-GHMZBOCLSA-N 1 1 198.354 1.962 10 0 ADAEMO CC[N@@H+]([C@@H](C)CC(C)=O)[C@@H]1CCOC1 308478290 573025271 /nfs/dbraw/zinc/02/52/71/573025271.db2.gz KJYWRUADEJTUIG-GXSJLCMTSA-N 1 1 199.294 1.465 10 0 ADAEMO C[NH2+]Cc1ccc(CN2CCC2)s1 308229146 573025332 /nfs/dbraw/zinc/02/53/32/573025332.db2.gz SERLPEYILNDXNG-UHFFFAOYSA-N 1 1 196.319 1.673 10 0 ADAEMO CC[NH+](CC)[C@H]1CNCC[C@H]1C 85439135 573025335 /nfs/dbraw/zinc/02/53/35/573025335.db2.gz SRTTYGNUPKXEGA-ZJUUUORDSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[N@@H+]([C@@H](C)CC(C)=O)[C@H]1CCOC1 308478293 573025336 /nfs/dbraw/zinc/02/53/36/573025336.db2.gz KJYWRUADEJTUIG-ONGXEEELSA-N 1 1 199.294 1.465 10 0 ADAEMO C[C@H]([NH3+])C[C@@H]1CCCCN1CCF 308227811 573025361 /nfs/dbraw/zinc/02/53/61/573025361.db2.gz RMYWPHFVWISSSL-UWVGGRQHSA-N 1 1 188.290 1.548 10 0 ADAEMO CC[N@@H+](CCO)[C@H]1C=CCC1 238255109 573025366 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/nfs/dbraw/zinc/02/93/27/573029327.db2.gz ONQKBCKITCSVKG-SNVBAGLBSA-N 1 1 191.290 1.829 10 0 ADAEMO CCOC(=O)[C@H](C)[NH2+]CCCCF 308232383 573029630 /nfs/dbraw/zinc/02/96/30/573029630.db2.gz UEXDWHSYISXHID-QMMMGPOBSA-N 1 1 191.246 1.277 10 0 ADAEMO CC[N@@H+](CCCCCF)C[C@H](C)O 308230377 573029881 /nfs/dbraw/zinc/02/98/81/573029881.db2.gz ONQKBCKITCSVKG-JTQLQIEISA-N 1 1 191.290 1.829 10 0 ADAEMO Cc1ccc(C(=O)C[NH3+])c(N(C)C)c1 259597700 573030627 /nfs/dbraw/zinc/03/06/27/573030627.db2.gz ZKDVYRQWPWZGKB-UHFFFAOYSA-N 1 1 192.262 1.202 10 0 ADAEMO CC1=C(CN2CCCCC2)C[NH2+]C1 238248329 573030728 /nfs/dbraw/zinc/03/07/28/573030728.db2.gz VYEGKJMHKULERZ-UHFFFAOYSA-N 1 1 180.295 1.392 10 0 ADAEMO CCCCC[N@H+]1CC[C@H](CO)[C@H]1C 259315077 573030736 /nfs/dbraw/zinc/03/07/36/573030736.db2.gz ICCWIXOZIQJUSD-GHMZBOCLSA-N 1 1 185.311 1.879 10 0 ADAEMO CC[C@@H]([NH3+])C(C)(C)N(C)C 82409161 573030819 /nfs/dbraw/zinc/03/08/19/573030819.db2.gz IXYXYHYSNZUFAU-SSDOTTSWSA-N 1 1 144.262 1.064 10 0 ADAEMO C[N@H+]1CCC[C@@H](c2oncc2C=O)C1 259315749 573030997 /nfs/dbraw/zinc/03/09/97/573030997.db2.gz RPWKSKGOZIZRSI-MRVPVSSYSA-N 1 1 194.234 1.296 10 0 ADAEMO Cc1cc(C)c(C(=O)C[NH3+])c(O)c1C 259313544 573031018 /nfs/dbraw/zinc/03/10/18/573031018.db2.gz DHTAAPWYEMIOQO-UHFFFAOYSA-N 1 1 193.246 1.459 10 0 ADAEMO C[C@@H](C[NH3+])Cc1nc2ccncc2[nH]1 87981163 573031033 /nfs/dbraw/zinc/03/10/33/573031033.db2.gz CCHPJFWOAIJVRC-SSDOTTSWSA-N 1 1 190.250 1.095 10 0 ADAEMO C[C@@H](C[NH3+])Cc1nc2cnccc2[nH]1 87981163 573031040 /nfs/dbraw/zinc/03/10/40/573031040.db2.gz CCHPJFWOAIJVRC-SSDOTTSWSA-N 1 1 190.250 1.095 10 0 ADAEMO Cc1[nH]c(NN)[nH+]c1-c1ccncc1 258526378 573031059 /nfs/dbraw/zinc/03/10/59/573031059.db2.gz HVZIZBVUAHQSRQ-UHFFFAOYSA-N 1 1 189.222 1.066 10 0 ADAEMO Cc1cc([C@@H]2COCC[NH2+]2)cs1 104577915 573031168 /nfs/dbraw/zinc/03/11/68/573031168.db2.gz YXYBAMJCZWQKII-VIFPVBQESA-N 1 1 183.276 1.717 10 0 ADAEMO Cc1ccc[nH+]c1NC[C@@H](O)C1CC1 82425175 573031273 /nfs/dbraw/zinc/03/12/73/573031273.db2.gz IOBKDCOHSQBHRT-SNVBAGLBSA-N 1 1 192.262 1.573 10 0 ADAEMO CCc1cccc(F)c1[C@@H]([NH3+])CN 104578588 573031968 /nfs/dbraw/zinc/03/19/68/573031968.db2.gz DGMDBQNPOORMAT-VIFPVBQESA-N 1 1 182.242 1.347 10 0 ADAEMO CCc1ccc(F)cc1[C@H]([NH3+])CN 104580547 573031724 /nfs/dbraw/zinc/03/17/24/573031724.db2.gz YHKDWAWNTMIIME-SNVBAGLBSA-N 1 1 182.242 1.347 10 0 ADAEMO C[N@H+](Cc1ccccc1)C1COC1 104577154 573031818 /nfs/dbraw/zinc/03/18/18/573031818.db2.gz VLLMORFHJSDEQQ-UHFFFAOYSA-N 1 1 177.247 1.517 10 0 ADAEMO C[N@@H+](Cc1ccccc1)C1COC1 104577154 573031827 /nfs/dbraw/zinc/03/18/27/573031827.db2.gz VLLMORFHJSDEQQ-UHFFFAOYSA-N 1 1 177.247 1.517 10 0 ADAEMO C[C@H]1CCC[C@@H]1[N@H+]1CCCNCC1 82424948 573031840 /nfs/dbraw/zinc/03/18/40/573031840.db2.gz UYNGXENKXVGHAM-QWRGUYRKSA-N 1 1 182.311 1.470 10 0 ADAEMO CCc1nc(C)c(C[N@H+](C)CC)o1 308232610 573031910 /nfs/dbraw/zinc/03/19/10/573031910.db2.gz PNLVFQKCCKFQHZ-UHFFFAOYSA-N 1 1 182.267 1.997 10 0 ADAEMO CCc1ccc(F)cc1[C@@H]([NH3+])CN 104580549 573032091 /nfs/dbraw/zinc/03/20/91/573032091.db2.gz YHKDWAWNTMIIME-JTQLQIEISA-N 1 1 182.242 1.347 10 0 ADAEMO Cc1cn(C)c(N2CCCC2)[nH+]1 257931761 573032265 /nfs/dbraw/zinc/03/22/65/573032265.db2.gz TXAMVOFXUQSSKX-UHFFFAOYSA-N 1 1 165.240 1.329 10 0 ADAEMO CCc1[nH+]c(C)nc(N)c1C 82408038 573032506 /nfs/dbraw/zinc/03/25/06/573032506.db2.gz HWMLPXTUSXZWGQ-UHFFFAOYSA-N 1 1 151.213 1.238 10 0 ADAEMO C/C=C/COC(=O)C[NH+](CC)CC 308232626 573034371 /nfs/dbraw/zinc/03/43/71/573034371.db2.gz POPCRINCMQGWHT-QPJJXVBHSA-N 1 1 185.267 1.448 10 0 ADAEMO c1cc2nc(C[NH2+]C3CC3)nc-2c[nH]1 82420502 573033665 /nfs/dbraw/zinc/03/36/65/573033665.db2.gz ZCXFHYFBHCXGIX-UHFFFAOYSA-N 1 1 188.234 1.210 10 0 ADAEMO Cc1cc(C)cc(C(=O)C[NH3+])c1 82404564 573032733 /nfs/dbraw/zinc/03/27/33/573032733.db2.gz CPUUZFQYKZMYSV-UHFFFAOYSA-N 1 1 163.220 1.445 10 0 ADAEMO CCCCC[N@H+]1CC[NH2+][C@H](C)CC1 49661087 573033126 /nfs/dbraw/zinc/03/31/26/573033126.db2.gz BNGICTKRAQVQNP-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCCC[N@@H+]1CCN[C@H](C)CC1 49661087 573033135 /nfs/dbraw/zinc/03/31/35/573033135.db2.gz BNGICTKRAQVQNP-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCCC[N@H+]1CCN[C@H](C)CC1 49661087 573033143 /nfs/dbraw/zinc/03/31/43/573033143.db2.gz BNGICTKRAQVQNP-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCCCN1CC[NH2+][C@H](C)CC1 49661087 573033149 /nfs/dbraw/zinc/03/31/49/573033149.db2.gz BNGICTKRAQVQNP-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO Cc1cc2ccc(C[NH3+])cc2c(N)n1 258230672 573033214 /nfs/dbraw/zinc/03/32/14/573033214.db2.gz PEKKFILOHOVQLG-UHFFFAOYSA-N 1 1 187.246 1.584 10 0 ADAEMO C/C=C/C=C\c1nnc([C@H](C)[NH3+])o1 308235186 573033489 /nfs/dbraw/zinc/03/34/89/573033489.db2.gz VSOZAVWSOPBMJR-LRSRSJHMSA-N 1 1 179.223 1.679 10 0 ADAEMO C[C@@H]1CCC[C@H]1[N@H+]1CCCNCC1 82424949 573033518 /nfs/dbraw/zinc/03/35/18/573033518.db2.gz UYNGXENKXVGHAM-GHMZBOCLSA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@H]([NH2+]Cc1ncn(C)n1)C1(C)CC1 131859845 573033574 /nfs/dbraw/zinc/03/35/74/573033574.db2.gz GNHNUSBNTGMXPS-QMMMGPOBSA-N 1 1 194.282 1.093 10 0 ADAEMO CCCc1[nH]c(C2C[NH2+]C2)nc1C 258526340 573033740 /nfs/dbraw/zinc/03/37/40/573033740.db2.gz HVKOPIOJEFSXEZ-UHFFFAOYSA-N 1 1 179.267 1.357 10 0 ADAEMO C/C=C/C=C\c1nnc([C@@H](C)[NH3+])o1 308235183 573033776 /nfs/dbraw/zinc/03/37/76/573033776.db2.gz VSOZAVWSOPBMJR-FRXMCEDWSA-N 1 1 179.223 1.679 10 0 ADAEMO CCC[C@H]1NCC[C@@H]2CCCC[N@@H+]21 238248805 573033785 /nfs/dbraw/zinc/03/37/85/573033785.db2.gz BOKZSODTQNDROT-QWRGUYRKSA-N 1 1 182.311 1.960 10 0 ADAEMO CCC[C@H]1NCC[C@@H]2CCCC[N@H+]21 238248805 573033792 /nfs/dbraw/zinc/03/37/92/573033792.db2.gz BOKZSODTQNDROT-QWRGUYRKSA-N 1 1 182.311 1.960 10 0 ADAEMO CC(C)C[C@@H](N)[C@H]1CCC[NH2+]1 259317351 573033932 /nfs/dbraw/zinc/03/39/32/573033932.db2.gz KTBTZDGHDPLCBS-RKDXNWHRSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@H](C[NH3+])Cc1nc2ccncc2[nH]1 87981162 573034268 /nfs/dbraw/zinc/03/42/68/573034268.db2.gz CCHPJFWOAIJVRC-ZETCQYMHSA-N 1 1 190.250 1.095 10 0 ADAEMO C[C@H](C[NH3+])Cc1nc2cnccc2[nH]1 87981162 573034272 /nfs/dbraw/zinc/03/42/72/573034272.db2.gz CCHPJFWOAIJVRC-ZETCQYMHSA-N 1 1 190.250 1.095 10 0 ADAEMO Cc1ccc(C)c([C@H](N)C2C[NH2+]C2)c1 259317234 573034324 /nfs/dbraw/zinc/03/43/24/573034324.db2.gz KSGSJXAAVGWLHX-GFCCVEGCSA-N 1 1 190.290 1.523 10 0 ADAEMO C[C@@H]([NH2+]Cc1ncn(C)n1)C1(C)CC1 131860053 573034425 /nfs/dbraw/zinc/03/44/25/573034425.db2.gz GNHNUSBNTGMXPS-MRVPVSSYSA-N 1 1 194.282 1.093 10 0 ADAEMO CC[C@@H](N)C[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 717069092 573034711 /nfs/dbraw/zinc/03/47/11/573034711.db2.gz BURXQUCGYYJHNI-ROHXPCBUSA-N 1 1 196.338 1.605 10 0 ADAEMO CCc1c(C)cccc1[C@H]([NH3+])CN 104581118 573034818 /nfs/dbraw/zinc/03/48/18/573034818.db2.gz PXPLHUXPLJNNEI-LLVKDONJSA-N 1 1 178.279 1.516 10 0 ADAEMO CCc1cc(F)ccc1[C@H]([NH3+])CN 104581605 573034919 /nfs/dbraw/zinc/03/49/19/573034919.db2.gz OBPKZKUFFWMUGN-SNVBAGLBSA-N 1 1 182.242 1.347 10 0 ADAEMO CCC[C@H]1[C@@H]2C=C[C@@H](CC2=O)[N@@H+]1C 238249431 573035131 /nfs/dbraw/zinc/03/51/31/573035131.db2.gz PJHCTSSAAIALET-GUBZILKMSA-N 1 1 179.263 1.614 10 0 ADAEMO CCC[C@H]1[C@@H]2C=C[C@@H](CC2=O)[N@H+]1C 238249431 573035138 /nfs/dbraw/zinc/03/51/38/573035138.db2.gz PJHCTSSAAIALET-GUBZILKMSA-N 1 1 179.263 1.614 10 0 ADAEMO CC[C@@H](N)C[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 717069094 573035325 /nfs/dbraw/zinc/03/53/25/573035325.db2.gz BURXQUCGYYJHNI-SVNGYHJRSA-N 1 1 196.338 1.605 10 0 ADAEMO CCc1ccc(C)cc1[C@H]([NH3+])CN 104581565 573035370 /nfs/dbraw/zinc/03/53/70/573035370.db2.gz ZRVZKCPIHYZBJA-LLVKDONJSA-N 1 1 178.279 1.516 10 0 ADAEMO CC(C)C[C@H](N)[C@@H]1CCC[NH2+]1 259317349 573035391 /nfs/dbraw/zinc/03/53/91/573035391.db2.gz KTBTZDGHDPLCBS-IUCAKERBSA-N 1 1 156.273 1.112 10 0 ADAEMO C/C=C\COC(=O)C[NH+](CC)CC 308232625 573035440 /nfs/dbraw/zinc/03/54/40/573035440.db2.gz POPCRINCMQGWHT-DAXSKMNVSA-N 1 1 185.267 1.448 10 0 ADAEMO CCO[NH+]=C1CCCCCN1 82435526 573035454 /nfs/dbraw/zinc/03/54/54/573035454.db2.gz GOZBTUMIEDJSOC-UHFFFAOYSA-N 1 1 156.229 1.500 10 0 ADAEMO Cc1ccc(C)c([C@@H](N)C2C[NH2+]C2)c1 259317238 573035620 /nfs/dbraw/zinc/03/56/20/573035620.db2.gz KSGSJXAAVGWLHX-LBPRGKRZSA-N 1 1 190.290 1.523 10 0 ADAEMO CCc1c(C)cccc1[C@@H]([NH3+])CN 104581121 573035724 /nfs/dbraw/zinc/03/57/24/573035724.db2.gz PXPLHUXPLJNNEI-NSHDSACASA-N 1 1 178.279 1.516 10 0 ADAEMO CC[C@H](Nc1cc(N)[nH+]cn1)C(C)C 82426690 573035858 /nfs/dbraw/zinc/03/58/58/573035858.db2.gz FUGXIFFQHDLELI-QMMMGPOBSA-N 1 1 194.282 1.905 10 0 ADAEMO CC[C@H](Nc1cc(N)nc[nH+]1)C(C)C 82426690 573035861 /nfs/dbraw/zinc/03/58/61/573035861.db2.gz FUGXIFFQHDLELI-QMMMGPOBSA-N 1 1 194.282 1.905 10 0 ADAEMO CC(C)[C@@H]1CCC[N@@H+](C)C1 113884337 573035878 /nfs/dbraw/zinc/03/58/78/573035878.db2.gz ZJZKFNROWXHSRU-SECBINFHSA-N 1 1 141.258 1.984 10 0 ADAEMO CCCc1n[nH]c([C@](C)(CC)C[NH3+])n1 128437557 573035901 /nfs/dbraw/zinc/03/59/01/573035901.db2.gz YPAKGBAKCCMPQG-SNVBAGLBSA-N 1 1 196.298 1.384 10 0 ADAEMO CCCc1nc([C@](C)(CC)C[NH3+])n[nH]1 128437557 573035915 /nfs/dbraw/zinc/03/59/15/573035915.db2.gz YPAKGBAKCCMPQG-SNVBAGLBSA-N 1 1 196.298 1.384 10 0 ADAEMO CCC[C@H]1NCC[C@H]2CCCC[N@H+]12 238248821 573035917 /nfs/dbraw/zinc/03/59/17/573035917.db2.gz BOKZSODTQNDROT-MNOVXSKESA-N 1 1 182.311 1.960 10 0 ADAEMO CCC[C@H]1NCC[C@H]2CCCC[N@@H+]12 238248821 573035921 /nfs/dbraw/zinc/03/59/21/573035921.db2.gz BOKZSODTQNDROT-MNOVXSKESA-N 1 1 182.311 1.960 10 0 ADAEMO CC[N@@H+](CCN)C(C(C)C)C(C)C 308236572 573036049 /nfs/dbraw/zinc/03/60/49/573036049.db2.gz WFHIOWJHVXKYBS-UHFFFAOYSA-N 1 1 186.343 1.948 10 0 ADAEMO CCc1ccc(C)cc1[C@@H]([NH3+])CN 104581568 573036108 /nfs/dbraw/zinc/03/61/08/573036108.db2.gz ZRVZKCPIHYZBJA-NSHDSACASA-N 1 1 178.279 1.516 10 0 ADAEMO C[N@H+]1CCC[C@H](c2oncc2C=O)C1 259315753 573036273 /nfs/dbraw/zinc/03/62/73/573036273.db2.gz RPWKSKGOZIZRSI-QMMMGPOBSA-N 1 1 194.234 1.296 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1CC1(O)CC1 257925426 573036387 /nfs/dbraw/zinc/03/63/87/573036387.db2.gz GOPAJQPKFNJJDF-SECBINFHSA-N 1 1 169.268 1.386 10 0 ADAEMO CC(C)[N@@H+](CCCO)Cc1ccoc1 131875354 573036776 /nfs/dbraw/zinc/03/67/76/573036776.db2.gz UWNYNFUONBOILP-UHFFFAOYSA-N 1 1 197.278 1.872 10 0 ADAEMO Cc1ocnc1[C@@H]1CSCC[NH2+]1 257926880 573037540 /nfs/dbraw/zinc/03/75/40/573037540.db2.gz SECCPWWMRBTOCE-ZETCQYMHSA-N 1 1 184.264 1.361 10 0 ADAEMO Nc1ccc[nH+]c1N[C@@H]1CCCOC1 82431469 573037140 /nfs/dbraw/zinc/03/71/40/573037140.db2.gz ZXULVTXALFIRMM-MRVPVSSYSA-N 1 1 193.250 1.255 10 0 ADAEMO CC1(C)C[C@H]1Nc1cc(N)[nH+]cn1 82426662 573036948 /nfs/dbraw/zinc/03/69/48/573036948.db2.gz XIBWSCLZVSPWRV-ZCFIWIBFSA-N 1 1 178.239 1.269 10 0 ADAEMO CC1(C)C[C@H]1Nc1cc(N)nc[nH+]1 82426662 573036955 /nfs/dbraw/zinc/03/69/55/573036955.db2.gz XIBWSCLZVSPWRV-ZCFIWIBFSA-N 1 1 178.239 1.269 10 0 ADAEMO C[NH2+]Cc1ncc(Br)o1 257925919 573037218 /nfs/dbraw/zinc/03/72/18/573037218.db2.gz SJEIVYLHAWFOPE-UHFFFAOYSA-N 1 1 191.028 1.157 10 0 ADAEMO Nc1cc(NCC2CCCC2)nc[nH+]1 82426562 573037282 /nfs/dbraw/zinc/03/72/82/573037282.db2.gz CPIPURCLSUPSPU-UHFFFAOYSA-N 1 1 192.266 1.661 10 0 ADAEMO Nc1cc(NCC2CCCC2)[nH+]cn1 82426562 573037287 /nfs/dbraw/zinc/03/72/87/573037287.db2.gz CPIPURCLSUPSPU-UHFFFAOYSA-N 1 1 192.266 1.661 10 0 ADAEMO C[C@H](O)CC[N@@H+](C)Cc1cc[nH]c1 128433902 573037351 /nfs/dbraw/zinc/03/73/51/573037351.db2.gz UJIVGOVSWMGPQS-VIFPVBQESA-N 1 1 182.267 1.217 10 0 ADAEMO C[N@H+](C[C@@H](N)CC(F)(F)F)C1CC1 308233226 573037410 /nfs/dbraw/zinc/03/74/10/573037410.db2.gz USKATWSPCIDYDR-LURJTMIESA-N 1 1 196.216 1.360 10 0 ADAEMO C[N@@H+](C[C@@H](N)CC(F)(F)F)C1CC1 308233226 573037416 /nfs/dbraw/zinc/03/74/16/573037416.db2.gz USKATWSPCIDYDR-LURJTMIESA-N 1 1 196.216 1.360 10 0 ADAEMO CCOc1cc(N)cn2cc[nH+]c12 77001927 573037427 /nfs/dbraw/zinc/03/74/27/573037427.db2.gz FVRJPRUPHYQLFH-UHFFFAOYSA-N 1 1 177.207 1.315 10 0 ADAEMO C[C@H]1CC[N@@H+](c2ccc(N)c(N)c2)C1 235690256 573037465 /nfs/dbraw/zinc/03/74/65/573037465.db2.gz ITQZBXKWBVOBEI-QMMMGPOBSA-N 1 1 191.278 1.697 10 0 ADAEMO C[C@H]1CC[N@H+](c2ccc(N)c(N)c2)C1 235690256 573037472 /nfs/dbraw/zinc/03/74/72/573037472.db2.gz ITQZBXKWBVOBEI-QMMMGPOBSA-N 1 1 191.278 1.697 10 0 ADAEMO Cc1ocnc1[C@H]1CSCC[NH2+]1 257926877 573037599 /nfs/dbraw/zinc/03/75/99/573037599.db2.gz SECCPWWMRBTOCE-SSDOTTSWSA-N 1 1 184.264 1.361 10 0 ADAEMO C[N@H+](Cc1ccoc1)CC1CC(O)C1 131877415 573037989 /nfs/dbraw/zinc/03/79/89/573037989.db2.gz YXLQRWUDNSMARX-UHFFFAOYSA-N 1 1 195.262 1.482 10 0 ADAEMO CC[C@@H](Nc1cc(N)[nH+]cn1)C(C)C 82426691 573038085 /nfs/dbraw/zinc/03/80/85/573038085.db2.gz FUGXIFFQHDLELI-MRVPVSSYSA-N 1 1 194.282 1.905 10 0 ADAEMO CC[C@@H](Nc1cc(N)nc[nH+]1)C(C)C 82426691 573038091 /nfs/dbraw/zinc/03/80/91/573038091.db2.gz FUGXIFFQHDLELI-MRVPVSSYSA-N 1 1 194.282 1.905 10 0 ADAEMO C[C@@H](O)CC[N@@H+](C)Cc1cc[nH]c1 128434140 573038104 /nfs/dbraw/zinc/03/81/04/573038104.db2.gz UJIVGOVSWMGPQS-SECBINFHSA-N 1 1 182.267 1.217 10 0 ADAEMO CC[C@@H](F)C[N@@H+]1CCOC[C@H]1CC 308237169 573038344 /nfs/dbraw/zinc/03/83/44/573038344.db2.gz RFCDEXNPVMGHQB-NXEZZACHSA-N 1 1 189.274 1.845 10 0 ADAEMO CC[C@@H](F)C[N@H+]1CCOC[C@H]1CC 308237169 573038348 /nfs/dbraw/zinc/03/83/48/573038348.db2.gz RFCDEXNPVMGHQB-NXEZZACHSA-N 1 1 189.274 1.845 10 0 ADAEMO Nc1ccc[nH+]c1N[C@H]1CCCOC1 82431472 573039165 /nfs/dbraw/zinc/03/91/65/573039165.db2.gz ZXULVTXALFIRMM-QMMMGPOBSA-N 1 1 193.250 1.255 10 0 ADAEMO C[N@H+]1CC[C@@H](C2(O)CCCC2)C1 257925514 573038775 /nfs/dbraw/zinc/03/87/75/573038775.db2.gz GRUHYPHMHYFIIC-SECBINFHSA-N 1 1 169.268 1.243 10 0 ADAEMO CC(C)[N@@H+](CCCO)Cc1cn[nH]c1 308486561 573038900 /nfs/dbraw/zinc/03/89/00/573038900.db2.gz OJTVRXNWSHTRIO-UHFFFAOYSA-N 1 1 197.282 1.003 10 0 ADAEMO CC[N@H+]1CCC[C@H]1CC1(O)CC1 257925427 573038961 /nfs/dbraw/zinc/03/89/61/573038961.db2.gz GOPAJQPKFNJJDF-VIFPVBQESA-N 1 1 169.268 1.386 10 0 ADAEMO CCC[C@@H](O)[C@H]1CCC[N@H+]1C 238260532 573039326 /nfs/dbraw/zinc/03/93/26/573039326.db2.gz VFJZTAUYENVJSP-RKDXNWHRSA-N 1 1 157.257 1.242 10 0 ADAEMO CCP(CC)c1[nH]cc[nH+]1 238262468 573039428 /nfs/dbraw/zinc/03/94/28/573039428.db2.gz 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82451017 573045215 /nfs/dbraw/zinc/04/52/15/573045215.db2.gz QGYRXXAEGLBNCS-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1CC[NH2+]CCN1CCCF 88027546 573045251 /nfs/dbraw/zinc/04/52/51/573045251.db2.gz LLIMIXHPOAEGGM-VIFPVBQESA-N 1 1 174.263 1.030 10 0 ADAEMO C[C@H]1CCNCC[N@@H+]1CCCF 88027546 573045257 /nfs/dbraw/zinc/04/52/57/573045257.db2.gz LLIMIXHPOAEGGM-VIFPVBQESA-N 1 1 174.263 1.030 10 0 ADAEMO C[C@H]1CCNCC[N@H+]1CCCF 88027546 573045266 /nfs/dbraw/zinc/04/52/66/573045266.db2.gz LLIMIXHPOAEGGM-VIFPVBQESA-N 1 1 174.263 1.030 10 0 ADAEMO C[NH2+]CC(F)(F)C[C@H]1CCOC1 257935896 573045355 /nfs/dbraw/zinc/04/53/55/573045355.db2.gz UFACRFQFSIJCFG-SSDOTTSWSA-N 1 1 179.210 1.268 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1C[C@@H](C)N(C)C1 308247687 573045398 /nfs/dbraw/zinc/04/53/98/573045398.db2.gz YAQUCNCWBQMRKB-GHMZBOCLSA-N 1 1 184.327 1.811 10 0 ADAEMO Oc1ccccc1CC1(F)C[NH2+]C1 257934544 573047029 /nfs/dbraw/zinc/04/70/29/573047029.db2.gz UBFUAGWCQWMMCA-UHFFFAOYSA-N 1 1 181.210 1.246 10 0 ADAEMO 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CCC[N@@H+](CC)[C@H]1C[C@@H](C)N(C)C1 308247688 573046290 /nfs/dbraw/zinc/04/62/90/573046290.db2.gz YAQUCNCWBQMRKB-MNOVXSKESA-N 1 1 184.327 1.811 10 0 ADAEMO CCC[N@@H+](CC)[C@H]1C[C@H](C)N(C)C1 308247689 573046432 /nfs/dbraw/zinc/04/64/32/573046432.db2.gz YAQUCNCWBQMRKB-QWRGUYRKSA-N 1 1 184.327 1.811 10 0 ADAEMO [NH3+]CC1=CCN(Cc2ccccc2)C1 257932601 573046453 /nfs/dbraw/zinc/04/64/53/573046453.db2.gz CXCAWYXGDRECFP-UHFFFAOYSA-N 1 1 188.274 1.387 10 0 ADAEMO CC1=NCCC[C@@]1(C)CC[NH3+] 238258670 573046496 /nfs/dbraw/zinc/04/64/96/573046496.db2.gz QZGRXACSGULASU-VIFPVBQESA-N 1 1 154.257 1.596 10 0 ADAEMO C[NH2+][C@H](c1ccccc1OC)[C@H](C)N 259317992 573046512 /nfs/dbraw/zinc/04/65/12/573046512.db2.gz IQCOTCORHZHFPM-KWQFWETISA-N 1 1 194.278 1.303 10 0 ADAEMO C[NH2+][C@H](c1ccccc1OC)[C@@H](C)N 259317988 573046529 /nfs/dbraw/zinc/04/65/29/573046529.db2.gz IQCOTCORHZHFPM-KCJUWKMLSA-N 1 1 194.278 1.303 10 0 ADAEMO Cc1cccc(-c2ncc(C[NH3+])[nH]2)n1 82451959 573046620 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196.338 1.988 10 0 ADAEMO C[C@H]1CCCC[N@@H+]1C[C@H](N)CC1CC1 308497336 573084363 /nfs/dbraw/zinc/08/43/63/573084363.db2.gz UFARRIGMYKQUHS-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CCCC[N@H+]1C[C@H](N)CC1CC1 308497336 573084373 /nfs/dbraw/zinc/08/43/73/573084373.db2.gz UFARRIGMYKQUHS-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CC[C@@H](c2nnc(C[NH3+])s2)O1 88143369 573084388 /nfs/dbraw/zinc/08/43/88/573084388.db2.gz NSCNVKXNIMFZAQ-WDSKDSINSA-N 1 1 199.279 1.237 10 0 ADAEMO C[C@@H]1CC[C@@H](c2cnc([C@@H](C)[NH3+])o2)O1 88143292 573084436 /nfs/dbraw/zinc/08/44/36/573084436.db2.gz VEAOQSNSWNSXTC-PRJMDXOYSA-N 1 1 196.250 1.934 10 0 ADAEMO CC[N@H+]1C[C@H](CCO)[C@@H]2CCCC[C@@H]21 238272621 573084683 /nfs/dbraw/zinc/08/46/83/573084683.db2.gz SMLDQPZIYSIYDQ-SRVKXCTJSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@H]1CC[C@@H](c2cnc(C[NH3+])o2)O1 88143289 573084758 /nfs/dbraw/zinc/08/47/58/573084758.db2.gz BJNWOTCWRULRAB-BQBZGAKWSA-N 1 1 182.223 1.373 10 0 ADAEMO 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/nfs/dbraw/zinc/09/68/80/573096880.db2.gz GBUZYSJAMHHKGI-NXEZZACHSA-N 1 1 168.284 1.570 10 0 ADAEMO COC(=O)[C@@H]1CC[C@@H]2CCC[C@@H]2[NH2+]1 257940787 573096928 /nfs/dbraw/zinc/09/69/28/573096928.db2.gz UZUYOJYEBZXVPA-CIUDSAMLSA-N 1 1 183.251 1.080 10 0 ADAEMO CC1(C)CN[C@H]2CCCCC[C@H]2[NH2+]1 114610384 573096961 /nfs/dbraw/zinc/09/69/61/573096961.db2.gz ZXTBRWHSOJFEIN-VHSXEESVSA-N 1 1 182.311 1.659 10 0 ADAEMO CCOC(=O)c1c[nH+]ccc1NC 238275873 573097058 /nfs/dbraw/zinc/09/70/58/573097058.db2.gz PGDHFNITEMUGSB-UHFFFAOYSA-N 1 1 180.207 1.300 10 0 ADAEMO CC[C@@H]1C[NH2+][C@@H]2CCCC[C@@H]2N1 114595814 573097172 /nfs/dbraw/zinc/09/71/72/573097172.db2.gz XKLXQPGABJXXCA-BBBLOLIVSA-N 1 1 168.284 1.269 10 0 ADAEMO CC[C@@H]([NH3+])C1=NCC(O)=C1 238276240 573097276 /nfs/dbraw/zinc/09/72/76/573097276.db2.gz DDOOAHFEEGVVJH-ZCFIWIBFSA-N 1 1 140.186 1.130 10 0 ADAEMO CCC(O)(CC)C[N@H+]1CC[C@H]2C[C@H]21 308501163 573097400 /nfs/dbraw/zinc/09/74/00/573097400.db2.gz WUFVTZSTBPJZKP-VHSXEESVSA-N 1 1 183.295 1.632 10 0 ADAEMO CC[C@@H](C)c1ncc(C[NH3+])[nH]1 82562990 573097422 /nfs/dbraw/zinc/09/74/22/573097422.db2.gz UDDCDEIMFIEFJM-ZCFIWIBFSA-N 1 1 153.229 1.382 10 0 ADAEMO CC(C)[N@H+](Cc1ncc[nH]1)C1CC1 308256292 573097452 /nfs/dbraw/zinc/09/74/52/573097452.db2.gz KUPARVJIXZMTTN-UHFFFAOYSA-N 1 1 179.267 1.783 10 0 ADAEMO CC(C)[N@@H+](Cc1ncc[nH]1)C1CC1 308256292 573097460 /nfs/dbraw/zinc/09/74/60/573097460.db2.gz KUPARVJIXZMTTN-UHFFFAOYSA-N 1 1 179.267 1.783 10 0 ADAEMO Cc1ncccc1[C@H]([NH3+])c1ncc[nH]1 715242072 573097498 /nfs/dbraw/zinc/09/74/98/573097498.db2.gz XSOUUAMVXZROJA-VIFPVBQESA-N 1 1 188.234 1.161 10 0 ADAEMO CC1(C)CN[C@@H]2CCCCC[C@H]2[NH2+]1 114610379 573098158 /nfs/dbraw/zinc/09/81/58/573098158.db2.gz ZXTBRWHSOJFEIN-NXEZZACHSA-N 1 1 182.311 1.659 10 0 ADAEMO COC(=O)[C@@H]1CC[C@H]2CCC[C@@H]2[NH2+]1 257940792 573097590 /nfs/dbraw/zinc/09/75/90/573097590.db2.gz UZUYOJYEBZXVPA-VGMNWLOBSA-N 1 1 183.251 1.080 10 0 ADAEMO CCOC(=O)[C@@H](C1CCC1)[NH+](C)C 259327890 573097717 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ADAEMO CC[C@@](C)(N)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308502070 573101422 /nfs/dbraw/zinc/10/14/22/573101422.db2.gz HBHPVZUBXUJUNZ-NOOOWODRSA-N 1 1 196.338 1.892 10 0 ADAEMO CC[C@@H]1C[C@@H](C(C)=O)C[N@@H+](C)C1 238278376 573101493 /nfs/dbraw/zinc/10/14/93/573101493.db2.gz MWCUVYPAEPFYQC-NXEZZACHSA-N 1 1 169.268 1.553 10 0 ADAEMO CC[C@@H](C)c1noc(C(C)(C)[NH3+])n1 82561140 573101643 /nfs/dbraw/zinc/10/16/43/573101643.db2.gz XLWRVVYVZVBPNC-ZCFIWIBFSA-N 1 1 183.255 1.777 10 0 ADAEMO COC(=O)[C@H]1C[C@@H]2C[N@H+](C)CC[C@H]2C1 259600988 573101660 /nfs/dbraw/zinc/10/16/60/573101660.db2.gz MAXLRKZVDRIRJK-IVZWLZJFSA-N 1 1 197.278 1.137 10 0 ADAEMO CCC[C@@H]1N[C@H](C)C[NH2+][C@@H]1C 238278275 573101681 /nfs/dbraw/zinc/10/16/81/573101681.db2.gz WQAWNWAQZXNXPQ-HLTSFMKQSA-N 1 1 156.273 1.125 10 0 ADAEMO C[C@H]1[C@@H](CO)CC[N@H+]1CCCCF 308258025 573101822 /nfs/dbraw/zinc/10/18/22/573101822.db2.gz MAFBLOJSGVJPCF-VHSXEESVSA-N 1 1 189.274 1.439 10 0 ADAEMO C[C@@]1(c2ccc[nH]2)CC(=O)CC[NH2+]1 77267076 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189.274 1.439 10 0 ADAEMO C[C@H]([N@@H+](C)[C@@H]1C[C@H]1CO)C1(C)CC1 308257554 573103578 /nfs/dbraw/zinc/10/35/78/573103578.db2.gz LQPMTEUAGHPEPN-LPEHRKFASA-N 1 1 183.295 1.488 10 0 ADAEMO CC(=O)CCC1=CCC[N@H+](C)C1 257941021 573103654 /nfs/dbraw/zinc/10/36/54/573103654.db2.gz DNHHJFZWYFSSLA-UHFFFAOYSA-N 1 1 167.252 1.618 10 0 ADAEMO C[C@H]1[C@H](CO)CC[N@H+]1CCCCF 308258024 573103871 /nfs/dbraw/zinc/10/38/71/573103871.db2.gz MAFBLOJSGVJPCF-UWVGGRQHSA-N 1 1 189.274 1.439 10 0 ADAEMO C[C@@]1(F)CC[N@@H+](CCCCCO)C1 308257227 573103915 /nfs/dbraw/zinc/10/39/15/573103915.db2.gz LHPHICYECJUULI-SNVBAGLBSA-N 1 1 189.274 1.583 10 0 ADAEMO C[C@@H]1C[N@@H+](CC(C)(C)C)CCN1 77264179 573103959 /nfs/dbraw/zinc/10/39/59/573103959.db2.gz FFEFPNMMRGLXAU-SECBINFHSA-N 1 1 170.300 1.326 10 0 ADAEMO C[C@@H]1CN(CC(C)(C)C)CC[NH2+]1 77264179 573103963 /nfs/dbraw/zinc/10/39/63/573103963.db2.gz FFEFPNMMRGLXAU-SECBINFHSA-N 1 1 170.300 1.326 10 0 ADAEMO COC(=O)[C@@H]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 259600992 573104032 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717132279 573112316 /nfs/dbraw/zinc/11/23/16/573112316.db2.gz RWOQNCBDJMWWRR-PZWNZHSQSA-N 1 1 196.338 1.558 10 0 ADAEMO CCc1cc(CCC[NH2+]C)n[nH]1 258479282 573112799 /nfs/dbraw/zinc/11/27/99/573112799.db2.gz JAHLVKVSODAHNI-UHFFFAOYSA-N 1 1 167.256 1.124 10 0 ADAEMO CCc1ccc(OC)c2c[nH+]cn12 238286202 573112874 /nfs/dbraw/zinc/11/28/74/573112874.db2.gz WJWOKJYFWLYJRJ-UHFFFAOYSA-N 1 1 176.219 1.905 10 0 ADAEMO CC(=O)C(C)(C)C[N@@H+]1CC[C@@H](C)C1 85677375 573112887 /nfs/dbraw/zinc/11/28/87/573112887.db2.gz USJDBLQVPLMFPF-SECBINFHSA-N 1 1 183.295 1.943 10 0 ADAEMO CN(C)[C@H](C(C)(C)C)C1([NH3+])CC1 259036063 573112895 /nfs/dbraw/zinc/11/28/95/573112895.db2.gz AKXMYBXHJQOWCB-MRVPVSSYSA-N 1 1 170.300 1.454 10 0 ADAEMO CN[C@H](c1ccc(C)cc1C)[C@H](C)[NH3+] 259333465 573112901 /nfs/dbraw/zinc/11/29/01/573112901.db2.gz JDSOBCFIXSYMLM-JQWIXIFHSA-N 1 1 192.306 1.911 10 0 ADAEMO CCCC[N@H+]1CC[C@@H](CO)C1(C)C 259332588 573113094 /nfs/dbraw/zinc/11/30/94/573113094.db2.gz IWZAWVISCWFDQI-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@H]([NH3+])CN(C)C[C@@H]1C[C@H]1[C@H]1C[C@H]1C 717132280 573113211 /nfs/dbraw/zinc/11/32/11/573113211.db2.gz RWOQNCBDJMWWRR-WTPMCQDGSA-N 1 1 196.338 1.558 10 0 ADAEMO C[C@H](N)C[N@H+](C)C[C@@H]1C[C@H]1[C@H]1C[C@H]1C 717132280 573113215 /nfs/dbraw/zinc/11/32/15/573113215.db2.gz RWOQNCBDJMWWRR-WTPMCQDGSA-N 1 1 196.338 1.558 10 0 ADAEMO C[C@H](N)C[N@@H+](C)C[C@@H]1C[C@H]1[C@H]1C[C@H]1C 717132280 573113220 /nfs/dbraw/zinc/11/32/20/573113220.db2.gz RWOQNCBDJMWWRR-WTPMCQDGSA-N 1 1 196.338 1.558 10 0 ADAEMO O=C1CC[C@@H]2CCC[N@H+]2CC1 114730072 573113254 /nfs/dbraw/zinc/11/32/54/573113254.db2.gz NSFSERJXBOKGST-QMMMGPOBSA-N 1 1 153.225 1.204 10 0 ADAEMO C[N@H+]1CC=C(c2ccccc2N)C1 257944796 573113604 /nfs/dbraw/zinc/11/36/04/573113604.db2.gz VOKFKMMFZYPDCK-UHFFFAOYSA-N 1 1 174.247 1.598 10 0 ADAEMO CCc1ccc(OC)c2[nH+]cc(N)n12 238286273 573113410 /nfs/dbraw/zinc/11/34/10/573113410.db2.gz XKIBLGNAPNQHAV-UHFFFAOYSA-N 1 1 191.234 1.488 10 0 ADAEMO CCc1ccc(OC)c2[nH+]c(N)[nH]c12 238286127 573113448 /nfs/dbraw/zinc/11/34/48/573113448.db2.gz CWEPRWTVULFZQE-UHFFFAOYSA-N 1 1 191.234 1.716 10 0 ADAEMO Cc1ccc([C@@H](C[NH3+])CN(C)C)s1 258232830 573113459 /nfs/dbraw/zinc/11/34/59/573113459.db2.gz RMEWBFNHIHYHPS-VIFPVBQESA-N 1 1 198.335 1.660 10 0 ADAEMO CN(C)[C@@H](C(C)(C)C)C1([NH3+])CC1 259036067 573113499 /nfs/dbraw/zinc/11/34/99/573113499.db2.gz AKXMYBXHJQOWCB-QMMMGPOBSA-N 1 1 170.300 1.454 10 0 ADAEMO C/C=C/C(=O)N[C@H]1CCC[N@H+](CC)C1 88354063 573113540 /nfs/dbraw/zinc/11/35/40/573113540.db2.gz LETJDNYZXTZJRA-YVGDHZEHSA-N 1 1 196.294 1.163 10 0 ADAEMO CN[C@@H](c1ccc(C)cc1C)[C@@H](C)[NH3+] 259333471 573113548 /nfs/dbraw/zinc/11/35/48/573113548.db2.gz JDSOBCFIXSYMLM-ZYHUDNBSSA-N 1 1 192.306 1.911 10 0 ADAEMO CCCC[N@H+]1CC[C@H](CO)C1(C)C 259332591 573114019 /nfs/dbraw/zinc/11/40/19/573114019.db2.gz IWZAWVISCWFDQI-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO CC(C)(C)C[C@H](N)C[NH2+]C1CCC1 257953932 573114874 /nfs/dbraw/zinc/11/48/74/573114874.db2.gz ARGIBWXEDSLROF-VIFPVBQESA-N 1 1 184.327 1.892 10 0 ADAEMO C[C@@H]1CC[N@H+](CC(C)(C)[C@@H](C)O)C1 85680150 573114375 /nfs/dbraw/zinc/11/43/75/573114375.db2.gz HCQICDNIIMANQR-NXEZZACHSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[NH2+][C@@H](C)C(C)(C)CN(C)C 85678341 573114567 /nfs/dbraw/zinc/11/45/67/573114567.db2.gz UXIHZPDEUIVKMU-VIFPVBQESA-N 1 1 172.316 1.572 10 0 ADAEMO CSC[C@H]1CC[NH2+]CC1(F)F 257944688 573114614 /nfs/dbraw/zinc/11/46/14/573114614.db2.gz VNAPNCUGLRWHRC-ZCFIWIBFSA-N 1 1 181.251 1.594 10 0 ADAEMO CCCc1nc(C[C@@H]([NH3+])CCC)n[nH]1 128735421 573115321 /nfs/dbraw/zinc/11/53/21/573115321.db2.gz IGLIBMZJGCSOGE-QMMMGPOBSA-N 1 1 196.298 1.427 10 0 ADAEMO CCCc1nnc(C[C@@H]([NH3+])CCC)[nH]1 128735421 573115314 /nfs/dbraw/zinc/11/53/14/573115314.db2.gz IGLIBMZJGCSOGE-QMMMGPOBSA-N 1 1 196.298 1.427 10 0 ADAEMO CCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 131916095 573115334 /nfs/dbraw/zinc/11/53/34/573115334.db2.gz RZMWAUVUEXUIBV-QWRGUYRKSA-N 1 1 184.327 1.716 10 0 ADAEMO CCCC[NH2+][C@H]1CCN(C)C[C@@H]1C 131916095 573115341 /nfs/dbraw/zinc/11/53/41/573115341.db2.gz RZMWAUVUEXUIBV-QWRGUYRKSA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[C@@H]([NH3+])Cc1nnc(C(C)C)[nH]1 128734965 573115351 /nfs/dbraw/zinc/11/53/51/573115351.db2.gz ZKAKFGALGOVTSY-MRVPVSSYSA-N 1 1 196.298 1.598 10 0 ADAEMO CN(C)C1(C[NH+](C)C)CCCCC1 142046747 573115374 /nfs/dbraw/zinc/11/53/74/573115374.db2.gz FFTLEHSDFLTPCZ-UHFFFAOYSA-N 1 1 184.327 1.813 10 0 ADAEMO C[NH2+][C@H](C)C1=CCC[N@H+](C(C)C)C1 257944671 573115492 /nfs/dbraw/zinc/11/54/92/573115492.db2.gz DUFBTTPHFYQROZ-SNVBAGLBSA-N 1 1 182.311 1.635 10 0 ADAEMO C[NH+](C)[C@@H]1C(C)(C)CC[C@@]1(C)N 238287571 573115554 /nfs/dbraw/zinc/11/55/54/573115554.db2.gz GRZRCBZDCKMLFO-PSASIEDQSA-N 1 1 170.300 1.454 10 0 ADAEMO CSC[C@@H]1CC[NH2+]CC1(F)F 257944683 573115615 /nfs/dbraw/zinc/11/56/15/573115615.db2.gz VNAPNCUGLRWHRC-LURJTMIESA-N 1 1 181.251 1.594 10 0 ADAEMO CCC[C@H]([NH3+])Cc1nc(C2CC2)n[nH]1 128735630 573116032 /nfs/dbraw/zinc/11/60/32/573116032.db2.gz PMDAICVHRRICEL-QMMMGPOBSA-N 1 1 194.282 1.352 10 0 ADAEMO C[C@@H](C1CC1)[N@H+](C)C[C@@H](C)N(C)C 308273768 573116213 /nfs/dbraw/zinc/11/62/13/573116213.db2.gz UEQQJJGTCDCPLK-ZJUUUORDSA-N 1 1 184.327 1.667 10 0 ADAEMO Cc1ccc(C(=O)C[NH3+])cc1N(C)C 259330784 573116253 /nfs/dbraw/zinc/11/62/53/573116253.db2.gz FEKSCXDIMJFUHL-UHFFFAOYSA-N 1 1 192.262 1.202 10 0 ADAEMO Cc1ccc([C@H](C[NH3+])CN(C)C)s1 258232829 573116277 /nfs/dbraw/zinc/11/62/77/573116277.db2.gz RMEWBFNHIHYHPS-SECBINFHSA-N 1 1 198.335 1.660 10 0 ADAEMO CCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 131915886 573116315 /nfs/dbraw/zinc/11/63/15/573116315.db2.gz RZMWAUVUEXUIBV-WDEREUQCSA-N 1 1 184.327 1.716 10 0 ADAEMO CCCC[NH2+][C@@H]1CCN(C)C[C@@H]1C 131915886 573116321 /nfs/dbraw/zinc/11/63/21/573116321.db2.gz RZMWAUVUEXUIBV-WDEREUQCSA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)O 85679805 573116368 /nfs/dbraw/zinc/11/63/68/573116368.db2.gz MJQJGUHXEIFKBC-NXEZZACHSA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)O 85679807 573116420 /nfs/dbraw/zinc/11/64/20/573116420.db2.gz MJQJGUHXEIFKBC-VHSXEESVSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[C@H](C)[C@H](N)C[NH2+]CC(C)(C)C 40494963 573116445 /nfs/dbraw/zinc/11/64/45/573116445.db2.gz AGWBJUPCRYJMDV-VHSXEESVSA-N 1 1 186.343 1.996 10 0 ADAEMO CC[C@H]1[C@H](O)CCC[N@H+]1CC 238287921 573116449 /nfs/dbraw/zinc/11/64/49/573116449.db2.gz GRMDURQWPKRPMA-DTWKUNHWSA-N 1 1 157.257 1.242 10 0 ADAEMO C[C@@H](C[N@@H+](C)[C@H](C)C1CC1)N(C)C 308273767 573116491 /nfs/dbraw/zinc/11/64/91/573116491.db2.gz UEQQJJGTCDCPLK-VHSXEESVSA-N 1 1 184.327 1.667 10 0 ADAEMO CC1(C)CO[C@](C)(c2ccco2)[NH2+]1 258529212 573116913 /nfs/dbraw/zinc/11/69/13/573116913.db2.gz NOHJUHUTVPKDAB-SNVBAGLBSA-N 1 1 181.235 1.851 10 0 ADAEMO CC[C@@H]1[NH2+]CCc2[nH]nc(C)c21 238287640 573117064 /nfs/dbraw/zinc/11/70/64/573117064.db2.gz QTKXVRLQSHMGKF-ZETCQYMHSA-N 1 1 165.240 1.315 10 0 ADAEMO C[NH2+][C@@H](C)C1=CCC[N@H+](C(C)C)C1 257944666 573117117 /nfs/dbraw/zinc/11/71/17/573117117.db2.gz DUFBTTPHFYQROZ-JTQLQIEISA-N 1 1 182.311 1.635 10 0 ADAEMO CCC[C@H]([NH3+])Cc1nnc(C(C)C)[nH]1 128734759 573117279 /nfs/dbraw/zinc/11/72/79/573117279.db2.gz ZKAKFGALGOVTSY-QMMMGPOBSA-N 1 1 196.298 1.598 10 0 ADAEMO C/C=C/C(=O)N[C@@H]1CCC[N@H+](CC)C1 88354066 573117322 /nfs/dbraw/zinc/11/73/22/573117322.db2.gz LETJDNYZXTZJRA-QLCVYAKKSA-N 1 1 196.294 1.163 10 0 ADAEMO Cn1ccnc1NC1(C[NH3+])CCCC1 82592871 573117518 /nfs/dbraw/zinc/11/75/18/573117518.db2.gz IKDGVTRNKXYKGS-UHFFFAOYSA-N 1 1 194.282 1.104 10 0 ADAEMO CC[C@H](C)[C@@H](N)C[NH2+]CC(C)(C)C 40494965 573117891 /nfs/dbraw/zinc/11/78/91/573117891.db2.gz AGWBJUPCRYJMDV-UWVGGRQHSA-N 1 1 186.343 1.996 10 0 ADAEMO c1nc2ccc([C@H]3CCC[NH2+]3)cc2[nH]1 82588144 573117994 /nfs/dbraw/zinc/11/79/94/573117994.db2.gz KVUPMNCAEALHPH-SECBINFHSA-N 1 1 187.246 1.987 10 0 ADAEMO CC[C@@H](C)[C@H](N)C[NH2+]CC(C)(C)C 40494962 573118093 /nfs/dbraw/zinc/11/80/93/573118093.db2.gz AGWBJUPCRYJMDV-NXEZZACHSA-N 1 1 186.343 1.996 10 0 ADAEMO CC(C)(CCO)Nc1[nH+]cccc1N 123662142 573118095 /nfs/dbraw/zinc/11/80/95/573118095.db2.gz YONRJCJODNKRDR-UHFFFAOYSA-N 1 1 195.266 1.237 10 0 ADAEMO C[C@H]1CC[N@H+](CC(C)(C)[C@@H](C)O)C1 85680152 573118198 /nfs/dbraw/zinc/11/81/98/573118198.db2.gz HCQICDNIIMANQR-VHSXEESVSA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)C[N@@H+](C1CC1)C(C)(C)CO 308267570 573118273 /nfs/dbraw/zinc/11/82/73/573118273.db2.gz QNRFAOIIICYSJH-UHFFFAOYSA-N 1 1 185.311 1.878 10 0 ADAEMO CCOc1ccc2c(c1)C[NH+]=CN2 238287090 573118339 /nfs/dbraw/zinc/11/83/39/573118339.db2.gz AJYXYAVXTJRGAU-UHFFFAOYSA-N 1 1 176.219 1.848 10 0 ADAEMO CC1(C)CO[C@@](C)(c2ccco2)[NH2+]1 258529202 573118610 /nfs/dbraw/zinc/11/86/10/573118610.db2.gz NOHJUHUTVPKDAB-JTQLQIEISA-N 1 1 181.235 1.851 10 0 ADAEMO CCCCC[C@H]([NH3+])[C@H](C)N 104649789 573118687 /nfs/dbraw/zinc/11/86/87/573118687.db2.gz SGMCLQKQDCHEFT-YUMQZZPRSA-N 1 1 144.262 1.241 10 0 ADAEMO CC(C)C[C@H](N)C[NH2+]CC(C)(C)C 40494954 573118761 /nfs/dbraw/zinc/11/87/61/573118761.db2.gz FHVQLKIZXCLMOT-JTQLQIEISA-N 1 1 186.343 1.996 10 0 ADAEMO CC[C@@H](C)[C@@H](N)C[NH2+]CC(C)(C)C 40494964 573118840 /nfs/dbraw/zinc/11/88/40/573118840.db2.gz AGWBJUPCRYJMDV-ZJUUUORDSA-N 1 1 186.343 1.996 10 0 ADAEMO CC(C)[N@@H+]1CC=C([C@@H](C)O)CC1 258233329 573118851 /nfs/dbraw/zinc/11/88/51/573118851.db2.gz WQIFYTCTPDBHLD-SECBINFHSA-N 1 1 169.268 1.408 10 0 ADAEMO CCCCC[C@@H]([NH3+])[C@@H](C)N 104649785 573118860 /nfs/dbraw/zinc/11/88/60/573118860.db2.gz SGMCLQKQDCHEFT-HTQZYQBOSA-N 1 1 144.262 1.241 10 0 ADAEMO CCCCC[C@@H](N)[C@@H](C)[NH3+] 104649785 573118869 /nfs/dbraw/zinc/11/88/69/573118869.db2.gz SGMCLQKQDCHEFT-HTQZYQBOSA-N 1 1 144.262 1.241 10 0 ADAEMO CCOc1ccc2[nH]c(C)[nH+]c2c1N 238288539 573118874 /nfs/dbraw/zinc/11/88/74/573118874.db2.gz PJVNBGCLWQVZEO-UHFFFAOYSA-N 1 1 191.234 1.852 10 0 ADAEMO CC[C@H]1CC(=O)C[C@@H](CC)[N@H+]1C 238287225 573119002 /nfs/dbraw/zinc/11/90/02/573119002.db2.gz KHPZOKIFXWYNDA-DTORHVGOSA-N 1 1 169.268 1.838 10 0 ADAEMO COCc1c[nH+]c2ccc(N)cn12 258530807 573119085 /nfs/dbraw/zinc/11/90/85/573119085.db2.gz MLKQNFQDIWSYKO-UHFFFAOYSA-N 1 1 177.207 1.063 10 0 ADAEMO CCC[C@H](C)[N@@H+](CCN)C(C)C 233333848 573119204 /nfs/dbraw/zinc/11/92/04/573119204.db2.gz VJWMWGAIGSUZCV-JTQLQIEISA-N 1 1 172.316 1.844 10 0 ADAEMO C/C(=C\[NH+](C)C)CN(C)C 238288197 573119483 /nfs/dbraw/zinc/11/94/83/573119483.db2.gz XJFJWRCREGOCMC-SOFGYWHQSA-N 1 1 142.246 1.013 10 0 ADAEMO C[NH+](C)[C@@H]1C(C)(C)CC[C@]1(C)N 238287579 573119711 /nfs/dbraw/zinc/11/97/11/573119711.db2.gz GRZRCBZDCKMLFO-SCZZXKLOSA-N 1 1 170.300 1.454 10 0 ADAEMO Cc1cncc(C[N@H+](C)C2CCC2)n1 585158719 573120152 /nfs/dbraw/zinc/12/01/52/573120152.db2.gz WESXJRSGGGRACN-UHFFFAOYSA-N 1 1 191.278 1.769 10 0 ADAEMO CCCCC[C@H]([NH3+])[C@@H](C)N 104649780 573120185 /nfs/dbraw/zinc/12/01/85/573120185.db2.gz SGMCLQKQDCHEFT-SFYZADRCSA-N 1 1 144.262 1.241 10 0 ADAEMO CCCCC[C@H](N)[C@@H](C)[NH3+] 104649780 573120192 /nfs/dbraw/zinc/12/01/92/573120192.db2.gz SGMCLQKQDCHEFT-SFYZADRCSA-N 1 1 144.262 1.241 10 0 ADAEMO C[C@H]([NH3+])c1nc([C@H]2CCCCO2)no1 257947911 573120328 /nfs/dbraw/zinc/12/03/28/573120328.db2.gz ILSFDZDJIYCYSQ-NKWVEPMBSA-N 1 1 197.238 1.331 10 0 ADAEMO OCC[C@@H]1CC[C@@H]2CCCC[N@H+]2C1 144042149 573120358 /nfs/dbraw/zinc/12/03/58/573120358.db2.gz MDDVYUBOQJNPTO-QWRGUYRKSA-N 1 1 183.295 1.633 10 0 ADAEMO CCn1cc[nH+]c1[Si](C)(C)C 197992681 573120409 /nfs/dbraw/zinc/12/04/09/573120409.db2.gz MHRGOWACIKFFNH-UHFFFAOYSA-N 1 1 168.316 1.448 10 0 ADAEMO CCCCC[C@@H]([NH3+])[C@H](C)N 104649792 573120631 /nfs/dbraw/zinc/12/06/31/573120631.db2.gz SGMCLQKQDCHEFT-JGVFFNPUSA-N 1 1 144.262 1.241 10 0 ADAEMO CCCCC[C@@H](N)[C@H](C)[NH3+] 104649792 573120637 /nfs/dbraw/zinc/12/06/37/573120637.db2.gz SGMCLQKQDCHEFT-JGVFFNPUSA-N 1 1 144.262 1.241 10 0 ADAEMO Cc1cccc([C@@H]2CC(=O)C[NH2+]2)c1 258233346 573120678 /nfs/dbraw/zinc/12/06/78/573120678.db2.gz ZRWXKUROYADPOK-NSHDSACASA-N 1 1 175.231 1.599 10 0 ADAEMO C[C@@H](CCO)C[N@H+]1CCC[C@@H]1C 123670141 573120763 /nfs/dbraw/zinc/12/07/63/573120763.db2.gz RICCBFRLZIZZQN-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO CNCC[N@H+](C)[C@H]1CCCC[C@@H]1C 42609932 573121089 /nfs/dbraw/zinc/12/10/89/573121089.db2.gz DBJVUEZVJYBXCN-QWRGUYRKSA-N 1 1 184.327 1.716 10 0 ADAEMO CNCC[N@@H+](C)[C@H]1CCCC[C@@H]1C 42609932 573121095 /nfs/dbraw/zinc/12/10/95/573121095.db2.gz DBJVUEZVJYBXCN-QWRGUYRKSA-N 1 1 184.327 1.716 10 0 ADAEMO CC1(C)C(CN2CC[NH2+]CC2)C1(C)C 85709777 573122021 /nfs/dbraw/zinc/12/20/21/573122021.db2.gz ZZTKLYKOBXNIMB-UHFFFAOYSA-N 1 1 196.338 1.574 10 0 ADAEMO C[N@@H+](Cc1ccoc1)[C@@H]1C[C@@H]1CO 308268586 573122030 /nfs/dbraw/zinc/12/20/30/573122030.db2.gz QTZZEWCVVDEUIT-NXEZZACHSA-N 1 1 181.235 1.092 10 0 ADAEMO C/C=C\CN1CCC([NH3+])(CC)CC1 642846880 573122095 /nfs/dbraw/zinc/12/20/95/573122095.db2.gz AVLRJWRVNMLHAW-HYXAFXHYSA-N 1 1 182.311 1.766 10 0 ADAEMO CCC1=C(C(=O)OC)CC[N@@H+](C)C1 257947585 573122212 /nfs/dbraw/zinc/12/22/12/573122212.db2.gz VUBMDBSIVHCZQA-UHFFFAOYSA-N 1 1 183.251 1.202 10 0 ADAEMO C[C@@H]([NH3+])c1nc([C@H]2CCCCO2)no1 257947912 573122442 /nfs/dbraw/zinc/12/24/42/573122442.db2.gz ILSFDZDJIYCYSQ-RNFRBKRXSA-N 1 1 197.238 1.331 10 0 ADAEMO COC[C@@H](C)C[N@@H+](C)[C@H]1CC1(C)C 308268610 573122551 /nfs/dbraw/zinc/12/25/51/573122551.db2.gz QUYIYFXTSPSNRL-UWVGGRQHSA-N 1 1 185.311 1.999 10 0 ADAEMO Cc1[nH+]ccn1CCC1OCCCO1 85705798 573122627 /nfs/dbraw/zinc/12/26/27/573122627.db2.gz WZVXXVQWJGRLLR-UHFFFAOYSA-N 1 1 196.250 1.345 10 0 ADAEMO COC[C@H](C)C[N@@H+](C)[C@H]1CC1(C)C 308268612 573122630 /nfs/dbraw/zinc/12/26/30/573122630.db2.gz QUYIYFXTSPSNRL-ZJUUUORDSA-N 1 1 185.311 1.999 10 0 ADAEMO CC[C@H](C)[N@H+]1CCC[C@@H]1CN 82595116 573122649 /nfs/dbraw/zinc/12/26/49/573122649.db2.gz OBEKBDZOPDSMFW-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@@H](F)CC[N@@H+](C)[C@@H]1CCCOC1 308268518 573122695 /nfs/dbraw/zinc/12/26/95/573122695.db2.gz QYSCZNSBNQARJG-NXEZZACHSA-N 1 1 189.274 1.845 10 0 ADAEMO CC[C@@H]1[C@@H]2NCCC[C@@H]2C[N@@H+]1C1CC1 238281018 573122756 /nfs/dbraw/zinc/12/27/56/573122756.db2.gz LIEFQBAVPAZIDX-YUSALJHKSA-N 1 1 194.322 1.611 10 0 ADAEMO CC[C@@H]1[C@@H]2NCCC[C@@H]2C[N@H+]1C1CC1 238281018 573122761 /nfs/dbraw/zinc/12/27/61/573122761.db2.gz LIEFQBAVPAZIDX-YUSALJHKSA-N 1 1 194.322 1.611 10 0 ADAEMO CC[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2C[N@H+]1C1CC1 238281018 573122749 /nfs/dbraw/zinc/12/27/49/573122749.db2.gz LIEFQBAVPAZIDX-YUSALJHKSA-N 1 1 194.322 1.611 10 0 ADAEMO C[C@H](F)CC[N@@H+](C)[C@@H]1CCCOC1 308268863 573122875 /nfs/dbraw/zinc/12/28/75/573122875.db2.gz QYSCZNSBNQARJG-VHSXEESVSA-N 1 1 189.274 1.845 10 0 ADAEMO C[N@@H+](Cc1ccoc1)[C@H]1C[C@@H]1CO 308268590 573122982 /nfs/dbraw/zinc/12/29/82/573122982.db2.gz QTZZEWCVVDEUIT-ZJUUUORDSA-N 1 1 181.235 1.092 10 0 ADAEMO C[C@@H]([NH3+])c1nc([C@@H]2CCCCO2)no1 257947913 573123007 /nfs/dbraw/zinc/12/30/07/573123007.db2.gz ILSFDZDJIYCYSQ-RQJHMYQMSA-N 1 1 197.238 1.331 10 0 ADAEMO CC[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2C[N@H+]1C(C)C 238281003 573123060 /nfs/dbraw/zinc/12/30/60/573123060.db2.gz XRNGGIDXTGFEEG-IJLUTSLNSA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CN1C(C)C 238281003 573123064 /nfs/dbraw/zinc/12/30/64/573123064.db2.gz XRNGGIDXTGFEEG-IJLUTSLNSA-N 1 1 196.338 1.857 10 0 ADAEMO COC[C@@H](C)C[N@@H+](C)[C@@H]1CC1(C)C 308268611 573123269 /nfs/dbraw/zinc/12/32/69/573123269.db2.gz QUYIYFXTSPSNRL-VHSXEESVSA-N 1 1 185.311 1.999 10 0 ADAEMO CC(C)NCC[NH2+]CC(C)(C)C 40494992 573123322 /nfs/dbraw/zinc/12/33/22/573123322.db2.gz MOFNCNOCFHZZOE-UHFFFAOYSA-N 1 1 172.316 1.620 10 0 ADAEMO CC(C)[NH2+]CCNCC(C)(C)C 40494992 573123325 /nfs/dbraw/zinc/12/33/25/573123325.db2.gz MOFNCNOCFHZZOE-UHFFFAOYSA-N 1 1 172.316 1.620 10 0 ADAEMO Cc1ncccc1N[C@H]1CC[N@H+](C)C1 85712279 573123391 /nfs/dbraw/zinc/12/33/91/573123391.db2.gz GASIPWKWMZXQKA-JTQLQIEISA-N 1 1 191.278 1.506 10 0 ADAEMO C[C@H]([NH3+])C[C@H](N)c1cccc(F)c1 259334791 573123421 /nfs/dbraw/zinc/12/34/21/573123421.db2.gz LILHAQSAXLLPSA-XVKPBYJWSA-N 1 1 182.242 1.563 10 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/nfs/dbraw/zinc/12/53/95/573125395.db2.gz WDBHBJDGQQGVNF-RFBVYIQQSA-N 1 1 180.295 1.351 10 0 ADAEMO C[N@H+]1CCC[C@H]1COC(=O)C1CC1 308273927 573124232 /nfs/dbraw/zinc/12/42/32/573124232.db2.gz UOVQTJBCKCHOME-VIFPVBQESA-N 1 1 183.251 1.034 10 0 ADAEMO OC[C@H]1CCc2[nH+]c(C3CC3)cn2C1 258479838 573124368 /nfs/dbraw/zinc/12/43/68/573124368.db2.gz QLUYGSSYEQHBFB-QMMMGPOBSA-N 1 1 192.262 1.315 10 0 ADAEMO Cc1ccoc1CNC/C=C\C[NH3+] 308268537 573124451 /nfs/dbraw/zinc/12/44/51/573124451.db2.gz QREANMXSRAIJBH-IHWYPQMZSA-N 1 1 180.251 1.193 10 0 ADAEMO CC[C@@H]([NH3+])c1ccc(O)c(Cl)n1 238280760 573124545 /nfs/dbraw/zinc/12/45/45/573124545.db2.gz RFOQDYYWVCOZDD-RXMQYKEDSA-N 1 1 186.642 1.850 10 0 ADAEMO C[N@H+]1CCC[C@@H](c2nccs2)C1 259332065 573124633 /nfs/dbraw/zinc/12/46/33/573124633.db2.gz SHPAWDBDNPYHQW-MRVPVSSYSA-N 1 1 182.292 1.952 10 0 ADAEMO CC(C)C[C@@H](CN)[N@H+]1CC[C@@H](C)C1 40717609 573124680 /nfs/dbraw/zinc/12/46/80/573124680.db2.gz JHAJXCJJLBJALU-MNOVXSKESA-N 1 1 184.327 1.702 10 0 ADAEMO Cc1[nH+]ccn1[C@@H](C)C(=O)NC(C)C 82615309 573124687 /nfs/dbraw/zinc/12/46/87/573124687.db2.gz GAARYCVHPPMPAE-QMMMGPOBSA-N 1 1 195.266 1.277 10 0 ADAEMO NC[C@@H]1C2CC(C2)[N@H+]1C1CCCC1 257950507 573124725 /nfs/dbraw/zinc/12/47/25/573124725.db2.gz WDBHBJDGQQGVNF-BOBPJJCASA-N 1 1 180.295 1.351 10 0 ADAEMO C[C@@H](CCO)C[N@H+]1CC[C@H]1C 123669408 573124855 /nfs/dbraw/zinc/12/48/55/573124855.db2.gz DAVZKKZXMUSIHB-DTWKUNHWSA-N 1 1 157.257 1.099 10 0 ADAEMO CN(C)C(C)(C)[C@@H]([NH3+])c1ccoc1 85736972 573125039 /nfs/dbraw/zinc/12/50/39/573125039.db2.gz VREBODMXEJXYBJ-VIFPVBQESA-N 1 1 182.267 1.620 10 0 ADAEMO Cc1ccc(-n2cc[nH+]c2C)nc1 82615607 573125107 /nfs/dbraw/zinc/12/51/07/573125107.db2.gz HZRIBHFBQXHXSF-UHFFFAOYSA-N 1 1 173.219 1.884 10 0 ADAEMO C[C@H]([NH3+])C[C@@H](N)c1cccc(F)c1 259334787 573125199 /nfs/dbraw/zinc/12/51/99/573125199.db2.gz LILHAQSAXLLPSA-OIBJUYFYSA-N 1 1 182.242 1.563 10 0 ADAEMO CNOCC[C@H]1CCCC[N@H+]1C 257950424 573125214 /nfs/dbraw/zinc/12/52/14/573125214.db2.gz WBNKNGCGNREQRE-SECBINFHSA-N 1 1 172.272 1.012 10 0 ADAEMO CC(C)(C)OC(=O)[C@@H]([NH3+])CC(F)F 123671606 573125264 /nfs/dbraw/zinc/12/52/64/573125264.db2.gz FDTUCYWUSSJLKX-YFKPBYRVSA-N 1 1 195.209 1.311 10 0 ADAEMO Cc1[nH+]ccn1[C@@H]1CCCCNC1=O 82615259 573125428 /nfs/dbraw/zinc/12/54/28/573125428.db2.gz LGAVTTQNPWQBHP-SECBINFHSA-N 1 1 193.250 1.033 10 0 ADAEMO CCn1cc(Cn2cc[nH+]c2C)cn1 82615265 573128229 /nfs/dbraw/zinc/12/82/29/573128229.db2.gz NZMAHTJBYPJIRV-UHFFFAOYSA-N 1 1 190.250 1.456 10 0 ADAEMO C[NH+](C)C(C)(C)[C@H](N)C(C)(C)C 85736585 573125789 /nfs/dbraw/zinc/12/57/89/573125789.db2.gz WGRAOENPHHYSLH-MRVPVSSYSA-N 1 1 172.316 1.700 10 0 ADAEMO Cc1[nH+]ccn1-c1nccs1 82615614 573125790 /nfs/dbraw/zinc/12/57/90/573125790.db2.gz NWXXUEWHLWVRKW-UHFFFAOYSA-N 1 1 165.221 1.637 10 0 ADAEMO CN(C)C(C)(C)[C@H]([NH3+])C(C)(C)C 85736585 573125795 /nfs/dbraw/zinc/12/57/95/573125795.db2.gz WGRAOENPHHYSLH-MRVPVSSYSA-N 1 1 172.316 1.700 10 0 ADAEMO CNOCC[C@@H]1CCCC[N@H+]1C 257950427 573125809 /nfs/dbraw/zinc/12/58/09/573125809.db2.gz WBNKNGCGNREQRE-VIFPVBQESA-N 1 1 172.272 1.012 10 0 ADAEMO Cc1[nH+]ccn1[C@@H](C)C(=O)NC1CC1 82615289 573125871 /nfs/dbraw/zinc/12/58/71/573125871.db2.gz VQILWDCOYZVNLE-ZETCQYMHSA-N 1 1 193.250 1.031 10 0 ADAEMO CC(C)(C)OC(=O)[C@H]([NH3+])CCF 123670920 573125874 /nfs/dbraw/zinc/12/58/74/573125874.db2.gz OUMNWHCMKSTYMF-ZCFIWIBFSA-N 1 1 177.219 1.015 10 0 ADAEMO Cc1ccnc(-n2cc[nH+]c2C)c1 82615623 573125885 /nfs/dbraw/zinc/12/58/85/573125885.db2.gz XQXLNWYJOKBEPS-UHFFFAOYSA-N 1 1 173.219 1.884 10 0 ADAEMO Cc1[nH+]ccn1-c1ccc(F)cn1 82615602 573125900 /nfs/dbraw/zinc/12/59/00/573125900.db2.gz MVLLUFCJXGYALN-UHFFFAOYSA-N 1 1 177.182 1.715 10 0 ADAEMO Cc1[nH+]ccn1-c1ncccc1F 82615621 573125952 /nfs/dbraw/zinc/12/59/52/573125952.db2.gz UYFTVDVPZPCJDT-UHFFFAOYSA-N 1 1 177.182 1.715 10 0 ADAEMO CC(=O)CC[N@H+]1CCC(C)(C)C1 85734223 573126037 /nfs/dbraw/zinc/12/60/37/573126037.db2.gz JXXKSQUBAQTQDC-UHFFFAOYSA-N 1 1 169.268 1.697 10 0 ADAEMO Cc1[nH]nc2c(C[NH3+])ccc(Cl)c12 259334316 573126053 /nfs/dbraw/zinc/12/60/53/573126053.db2.gz GSFTUUWASWKDIN-UHFFFAOYSA-N 1 1 195.653 1.983 10 0 ADAEMO [NH3+]C1(c2cc(O)ccc2C=O)CCC1 257949628 573126074 /nfs/dbraw/zinc/12/60/74/573126074.db2.gz AUFUCFMXHHZSLT-UHFFFAOYSA-N 1 1 191.230 1.543 10 0 ADAEMO Cc1nc([C@H](C)[NH2+]C[C@@H](C)O)co1 308272560 573126169 /nfs/dbraw/zinc/12/61/69/573126169.db2.gz SVECVGFDDKSQEA-RQJHMYQMSA-N 1 1 184.239 1.014 10 0 ADAEMO Cc1[nH+]ccn1[C@H](C)C(=O)NC1CC1 82615290 573126334 /nfs/dbraw/zinc/12/63/34/573126334.db2.gz VQILWDCOYZVNLE-SSDOTTSWSA-N 1 1 193.250 1.031 10 0 ADAEMO Cc1nc([C@@H](C)[NH2+]C[C@@H](C)O)co1 308272559 573126386 /nfs/dbraw/zinc/12/63/86/573126386.db2.gz SVECVGFDDKSQEA-RNFRBKRXSA-N 1 1 184.239 1.014 10 0 ADAEMO CC(C)[C@@H]([NH3+])C(C)(C)N(C)C 85736949 573126469 /nfs/dbraw/zinc/12/64/69/573126469.db2.gz YVHJQGTWEVJWQU-MRVPVSSYSA-N 1 1 158.289 1.310 10 0 ADAEMO COCC1=CC[N@H+](C(C)C)C1 257950589 573126471 /nfs/dbraw/zinc/12/64/71/573126471.db2.gz FEGXAJBWPRHECY-UHFFFAOYSA-N 1 1 155.241 1.283 10 0 ADAEMO CC(C)c1[nH]cc(N)[nH+]1 104652171 573126582 /nfs/dbraw/zinc/12/65/82/573126582.db2.gz ZZVZHGADHKGYRN-UHFFFAOYSA-N 1 1 125.175 1.115 10 0 ADAEMO Cc1[nH]cnc1C[C@H]1CCCC[NH2+]1 257950414 573126600 /nfs/dbraw/zinc/12/66/00/573126600.db2.gz WBLXATAZPQKGSW-SECBINFHSA-N 1 1 179.267 1.403 10 0 ADAEMO C[C@H](O)C[N@@H+](C)CC1(C(F)F)CC1 308273362 573126618 /nfs/dbraw/zinc/12/66/18/573126618.db2.gz TYLWPMRCQLCGFS-ZETCQYMHSA-N 1 1 193.237 1.344 10 0 ADAEMO COC(=O)C[C@H]1CCC[N@H+]2CCC[C@H]12 259601310 573126653 /nfs/dbraw/zinc/12/66/53/573126653.db2.gz GPLMEBPWLIHYCE-NXEZZACHSA-N 1 1 197.278 1.424 10 0 ADAEMO CCC[C@@H]1[C@@H](O)CCC[N@H+]1C 238282337 573126746 /nfs/dbraw/zinc/12/67/46/573126746.db2.gz YRFSFOZGXWYRQK-BDAKNGLRSA-N 1 1 157.257 1.242 10 0 ADAEMO Cc1cccc(-n2cc[nH+]c2C)n1 82615599 573126791 /nfs/dbraw/zinc/12/67/91/573126791.db2.gz ASMPEEFYKYNOBO-UHFFFAOYSA-N 1 1 173.219 1.884 10 0 ADAEMO Cc1cc(-n2cc[nH+]c2C)ncn1 82615616 573126813 /nfs/dbraw/zinc/12/68/13/573126813.db2.gz BEZCJPQQADHNFW-UHFFFAOYSA-N 1 1 174.207 1.279 10 0 ADAEMO Cc1cc(C(=O)CC(C)(C)[NH3+])[nH]n1 74302085 573126827 /nfs/dbraw/zinc/12/68/27/573126827.db2.gz FWPGUSANETWRMM-UHFFFAOYSA-N 1 1 181.239 1.028 10 0 ADAEMO C[NH+](C)C(C)(C)C(=O)c1cccnc1 85734763 573126908 /nfs/dbraw/zinc/12/69/08/573126908.db2.gz OZAKAZFPFIVFQN-UHFFFAOYSA-N 1 1 192.262 1.605 10 0 ADAEMO Cc1[nH+]ccn1[C@H](C)C(=O)NC(C)C 82615310 573126966 /nfs/dbraw/zinc/12/69/66/573126966.db2.gz GAARYCVHPPMPAE-MRVPVSSYSA-N 1 1 195.266 1.277 10 0 ADAEMO CC[C@@H]1[C@H]2NCCC[C@@H]2C[N@@H+]1C1CC1 238282397 573126985 /nfs/dbraw/zinc/12/69/85/573126985.db2.gz LIEFQBAVPAZIDX-JLLWLGSASA-N 1 1 194.322 1.611 10 0 ADAEMO CC[C@@H]1[C@H]2NCCC[C@@H]2C[N@H+]1C1CC1 238282397 573126992 /nfs/dbraw/zinc/12/69/92/573126992.db2.gz LIEFQBAVPAZIDX-JLLWLGSASA-N 1 1 194.322 1.611 10 0 ADAEMO Cc1ccc([C@@H](N)C2C[NH2+]C2)cc1 259334532 573127002 /nfs/dbraw/zinc/12/70/02/573127002.db2.gz LGXLNVQFBWVEBC-LLVKDONJSA-N 1 1 176.263 1.214 10 0 ADAEMO Cc1csc(-n2cc[nH+]c2C)n1 82615622 573127036 /nfs/dbraw/zinc/12/70/36/573127036.db2.gz HSJYYOCXEFSMDC-UHFFFAOYSA-N 1 1 179.248 1.946 10 0 ADAEMO Cc1[nH+]ccn1[C@H]1CCCCNC1=O 82615260 573127270 /nfs/dbraw/zinc/12/72/70/573127270.db2.gz LGAVTTQNPWQBHP-VIFPVBQESA-N 1 1 193.250 1.033 10 0 ADAEMO CN(C)C(C)(C)[C@H]([NH3+])C1CCCC1 85736487 573127412 /nfs/dbraw/zinc/12/74/12/573127412.db2.gz BBEOCYNNQKRNTG-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CN(C)C(C)(C)[C@@H]([NH3+])c1cccnc1 85736576 573127506 /nfs/dbraw/zinc/12/75/06/573127506.db2.gz HNZOZZZAEZKBID-JTQLQIEISA-N 1 1 193.294 1.422 10 0 ADAEMO Cc1[nH]cnc1C[C@@H]1CCCC[NH2+]1 257950418 573127592 /nfs/dbraw/zinc/12/75/92/573127592.db2.gz WBLXATAZPQKGSW-VIFPVBQESA-N 1 1 179.267 1.403 10 0 ADAEMO CCC[C@@H]1[C@@H]([NH3+])CCCN1C 238282156 573127658 /nfs/dbraw/zinc/12/76/58/573127658.db2.gz AVWUKWOGABVEPK-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H]1[C@@H](N)CCC[N@@H+]1C 238282156 573127662 /nfs/dbraw/zinc/12/76/62/573127662.db2.gz AVWUKWOGABVEPK-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H]1[C@@H](N)CCC[N@H+]1C 238282156 573127668 /nfs/dbraw/zinc/12/76/68/573127668.db2.gz AVWUKWOGABVEPK-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO Cc1nc([C@@H](C)[NH2+]C[C@H](C)O)co1 308272558 573127740 /nfs/dbraw/zinc/12/77/40/573127740.db2.gz SVECVGFDDKSQEA-NKWVEPMBSA-N 1 1 184.239 1.014 10 0 ADAEMO Cc1nc([C@H](C)[NH2+]C[C@H](C)O)co1 308272557 573127752 /nfs/dbraw/zinc/12/77/52/573127752.db2.gz SVECVGFDDKSQEA-BQBZGAKWSA-N 1 1 184.239 1.014 10 0 ADAEMO CN(C)C(C)(C)[C@@H]([NH3+])C1CCCC1 85736491 573127927 /nfs/dbraw/zinc/12/79/27/573127927.db2.gz BBEOCYNNQKRNTG-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO CCC1=C(C(=O)OC)C[N@@H+](C)CC1 257949355 573127968 /nfs/dbraw/zinc/12/79/68/573127968.db2.gz WAFXVJICOXLKLX-UHFFFAOYSA-N 1 1 183.251 1.202 10 0 ADAEMO COc1cccc(-n2cc[nH+]c2C)n1 82615601 573128074 /nfs/dbraw/zinc/12/80/74/573128074.db2.gz KVUUNMMSXQATRK-UHFFFAOYSA-N 1 1 189.218 1.584 10 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NBPHXPSXBSCYQF-UHFFFAOYSA-N 1 1 149.197 1.034 10 0 ADAEMO CN(C)C(C)(C)[C@H]([NH3+])c1ccoc1 85736971 573128969 /nfs/dbraw/zinc/12/89/69/573128969.db2.gz VREBODMXEJXYBJ-SECBINFHSA-N 1 1 182.267 1.620 10 0 ADAEMO Cc1cccnc1-n1cc[nH+]c1C 82615598 573129312 /nfs/dbraw/zinc/12/93/12/573129312.db2.gz LDTWHXYTIOMKOM-UHFFFAOYSA-N 1 1 173.219 1.884 10 0 ADAEMO CC[C@@H](c1cnc[nH]1)[C@H]1COC(=O)C1 238281982 573129314 /nfs/dbraw/zinc/12/93/14/573129314.db2.gz YKDUZGYVZFOQDH-HTQZYQBOSA-N 1 1 194.234 1.466 10 0 ADAEMO CC(C)CC[NH2+][C@@H](C)c1ncon1 308277069 573129439 /nfs/dbraw/zinc/12/94/39/573129439.db2.gz VLNAOCAQCOLHQD-QMMMGPOBSA-N 1 1 183.255 1.766 10 0 ADAEMO CCOC(=O)[C@H]([NH3+])C1(CC)CCC1 686134217 573129503 /nfs/dbraw/zinc/12/95/03/573129503.db2.gz VSQOXFKCNVQXCF-QMMMGPOBSA-N 1 1 185.267 1.457 10 0 ADAEMO Cc1nccc(-n2cc[nH+]c2C)n1 82615606 573129506 /nfs/dbraw/zinc/12/95/06/573129506.db2.gz QYPMHUMDSQGAOU-UHFFFAOYSA-N 1 1 174.207 1.279 10 0 ADAEMO C[NH+](C)C(C)(C)[C@@H](N)C(C)(C)C 85736580 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CCC[C@H](C)[N@H+]1CCC[C@@H]1CO 233335028 573131614 /nfs/dbraw/zinc/13/16/14/573131614.db2.gz XRZJNDISPSYCNR-VHSXEESVSA-N 1 1 171.284 1.632 10 0 ADAEMO CCC[C@H](C)[N@H+]1CCNC[C@@H]1C1CC1 233335261 573131701 /nfs/dbraw/zinc/13/17/01/573131701.db2.gz UQXKUUJKXXCWKH-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(=O)CC[N@H+]1C[C@@H](C)[C@@H](C)C1 85734249 573131753 /nfs/dbraw/zinc/13/17/53/573131753.db2.gz ALUHCRNDXXBBBO-DTORHVGOSA-N 1 1 169.268 1.553 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1CCCON 257951607 573132032 /nfs/dbraw/zinc/13/20/32/573132032.db2.gz MNVBMRAWTHIYGM-JTQLQIEISA-N 1 1 186.299 1.531 10 0 ADAEMO CC[N@H+]1CCC=C(C[C@@H](C)O)C1 257952941 573132057 /nfs/dbraw/zinc/13/20/57/573132057.db2.gz FHZJMSPOZBYDQG-SECBINFHSA-N 1 1 169.268 1.409 10 0 ADAEMO O=Cc1ccoc1C[NH+]1CCCC1 74305270 573132199 /nfs/dbraw/zinc/13/21/99/573132199.db2.gz SMHXJKGGIONHFZ-UHFFFAOYSA-N 1 1 179.219 1.688 10 0 ADAEMO CCc1[nH]c([C@H](CC)C[NH3+])nc1C 258535867 573133630 /nfs/dbraw/zinc/13/36/30/573133630.db2.gz 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/nfs/dbraw/zinc/13/37/23/573133723.db2.gz FMYGMIFHEZWWKY-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO Cc1[nH+]ccn1CCn1cccc1 82619207 573133744 /nfs/dbraw/zinc/13/37/44/573133744.db2.gz YYPXBLKBIVDSKW-UHFFFAOYSA-N 1 1 175.235 1.693 10 0 ADAEMO COc1cc(C(=O)C[NH3+])cc(C)c1C 257951707 573133781 /nfs/dbraw/zinc/13/37/81/573133781.db2.gz AXZXZEXFFPTLRG-UHFFFAOYSA-N 1 1 193.246 1.453 10 0 ADAEMO CC1CCC([C@H](C)[NH3+])(N(C)C)CC1 85753388 573133797 /nfs/dbraw/zinc/13/37/97/573133797.db2.gz MGDZOAXWYQBWJB-YVNMAJEFSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)CC[NH2+][C@H]1CCN(C)C[C@H]1C 131985632 573133913 /nfs/dbraw/zinc/13/39/13/573133913.db2.gz WCVMBQZFTRIKPJ-NEPJUHHUSA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)([C@H]([NH3+])C1CC1)N1CCCCC1 85741430 573134254 /nfs/dbraw/zinc/13/42/54/573134254.db2.gz MCIRLNPFAGXIFP-LLVKDONJSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C[N@@H+]2CCC(=O)C2)CCCC1 82625559 573134304 /nfs/dbraw/zinc/13/43/04/573134304.db2.gz CGWNXZKUCSEPCQ-UHFFFAOYSA-N 1 1 181.279 1.842 10 0 ADAEMO CC1(C[N@H+]2CCC(=O)C2)CCCC1 82625559 573134311 /nfs/dbraw/zinc/13/43/11/573134311.db2.gz CGWNXZKUCSEPCQ-UHFFFAOYSA-N 1 1 181.279 1.842 10 0 ADAEMO CC[C@@H]([NH3+])[C@@](C)(CC)N(C)C 85744899 573134393 /nfs/dbraw/zinc/13/43/93/573134393.db2.gz BEAJMNNNJJXLQI-RKDXNWHRSA-N 1 1 158.289 1.454 10 0 ADAEMO CC[C@@H]([NH3+])C1(N(C)C)CCCCC1 85753058 573134413 /nfs/dbraw/zinc/13/44/13/573134413.db2.gz AGTGTXBWZBEYPH-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO CC(C)([C@@H]([NH3+])C1CC1)N1CCCCC1 85741436 573134467 /nfs/dbraw/zinc/13/44/67/573134467.db2.gz MCIRLNPFAGXIFP-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@@H+](CCCO)CC[C@H]1C[C@H]1C1CC1 715491546 573134495 /nfs/dbraw/zinc/13/44/95/573134495.db2.gz DUPPKHKLCJKABE-RYUDHWBXSA-N 1 1 197.322 1.737 10 0 ADAEMO C[N@H+]1CCC[C@H](c2nc(C=O)co2)C1 257952802 573134521 /nfs/dbraw/zinc/13/45/21/573134521.db2.gz FXUKKKHAQJVYFU-QMMMGPOBSA-N 1 1 194.234 1.296 10 0 ADAEMO C[N@@H+](CCCO)CC[C@H]1C[C@@H]1C1CC1 715491544 573135363 /nfs/dbraw/zinc/13/53/63/573135363.db2.gz DUPPKHKLCJKABE-NWDGAFQWSA-N 1 1 197.322 1.737 10 0 ADAEMO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCN(C)C1 308279061 573135375 /nfs/dbraw/zinc/13/53/75/573135375.db2.gz WHMWYIJBHRPJMC-GMTAPVOTSA-N 1 1 182.311 1.184 10 0 ADAEMO CC(C)[C@H](N)C(C)(C)[NH+]1CCCC1 85740506 573135413 /nfs/dbraw/zinc/13/54/13/573135413.db2.gz MFMYQKQHOAYSOB-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO CN(C)C1([C@H]([NH3+])C2CC2)CCCC1 85751915 573135441 /nfs/dbraw/zinc/13/54/41/573135441.db2.gz OVFGQWPEPGZLBO-SNVBAGLBSA-N 1 1 182.311 1.598 10 0 ADAEMO C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)C(C)(C)C1 259338636 573135661 /nfs/dbraw/zinc/13/56/61/573135661.db2.gz JDSPQVVQMIEBAK-LLVKDONJSA-N 1 1 198.354 1.962 10 0 ADAEMO C[NH2+][C@@H](C)C(C)(C)N1CCCC1 85740638 573135667 /nfs/dbraw/zinc/13/56/67/573135667.db2.gz FMYGMIFHEZWWKY-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO C[C@@H](CCC(F)(F)F)[N@@H+](C)CCO 308278612 573136203 /nfs/dbraw/zinc/13/62/03/573136203.db2.gz WCEODIKJLDSXOP-ZETCQYMHSA-N 1 1 199.216 1.642 10 0 ADAEMO C[C@@H]1CCC[C@]([C@@H](C)[NH3+])(N(C)C)C1 85753798 573135905 /nfs/dbraw/zinc/13/59/05/573135905.db2.gz DEZVNEVAZDSXNX-MXWKQRLJSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@](C)([C@H](C)[NH3+])N(C)C 85745238 573135931 /nfs/dbraw/zinc/13/59/31/573135931.db2.gz RADVDVHKBRRLPZ-YUMQZZPRSA-N 1 1 144.262 1.064 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1ccc(F)nc1C 104661730 573135969 /nfs/dbraw/zinc/13/59/69/573135969.db2.gz DLUOPBVRYNKUFX-VIFPVBQESA-N 1 1 182.198 1.118 10 0 ADAEMO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCN(C)C1 308279068 573135972 /nfs/dbraw/zinc/13/59/72/573135972.db2.gz WHMWYIJBHRPJMC-VWYCJHECSA-N 1 1 182.311 1.184 10 0 ADAEMO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCN(C)C1 308279062 573136057 /nfs/dbraw/zinc/13/60/57/573136057.db2.gz WHMWYIJBHRPJMC-MXWKQRLJSA-N 1 1 182.311 1.184 10 0 ADAEMO CCC(CC)([C@H](C)[NH3+])N(C)C 85750620 573136058 /nfs/dbraw/zinc/13/60/58/573136058.db2.gz BMJRVURZTXNXKG-QMMMGPOBSA-N 1 1 158.289 1.454 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1c(C)cccc1C 104661657 573136071 /nfs/dbraw/zinc/13/60/71/573136071.db2.gz QTFPUEGTLVXOGL-LLVKDONJSA-N 1 1 177.247 1.892 10 0 ADAEMO CC(=O)[C@@H]1CCC[N@H+](CC(C)C)C1 82644532 573136220 /nfs/dbraw/zinc/13/62/20/573136220.db2.gz YFRFWPCZUPNMPX-LLVKDONJSA-N 1 1 183.295 1.943 10 0 ADAEMO CC[C@H]([NH3+])[C@](C)(CC)N(C)C 85744902 573136232 /nfs/dbraw/zinc/13/62/32/573136232.db2.gz BEAJMNNNJJXLQI-IUCAKERBSA-N 1 1 158.289 1.454 10 0 ADAEMO C[C@H]([NH3+])C1(N(C)C)CCCCCC1 85754141 573136382 /nfs/dbraw/zinc/13/63/82/573136382.db2.gz UNIUKBRUSMBZTD-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(N)=[NH2+] 42607964 573136385 /nfs/dbraw/zinc/13/63/85/573136385.db2.gz LXOGYXNHBSBVHS-UWVGGRQHSA-N 1 1 197.326 1.823 10 0 ADAEMO CC(C)[C@@H](N)C(C)(C)[NH+]1CCCC1 85740508 573136400 /nfs/dbraw/zinc/13/64/00/573136400.db2.gz MFMYQKQHOAYSOB-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CN(C)C1([C@@H]([NH3+])C2CC2)CCCC1 85751917 573136468 /nfs/dbraw/zinc/13/64/68/573136468.db2.gz OVFGQWPEPGZLBO-JTQLQIEISA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@](C)([C@@H](C)[NH3+])N(C)C 85745237 573136503 /nfs/dbraw/zinc/13/65/03/573136503.db2.gz RADVDVHKBRRLPZ-HTQZYQBOSA-N 1 1 144.262 1.064 10 0 ADAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(N)=[NH2+] 42607963 573136562 /nfs/dbraw/zinc/13/65/62/573136562.db2.gz LXOGYXNHBSBVHS-ZJUUUORDSA-N 1 1 197.326 1.823 10 0 ADAEMO CC(=O)[C@H]1CCC[N@@H+](CC(C)(C)O)C1 82644645 573136637 /nfs/dbraw/zinc/13/66/37/573136637.db2.gz PQXUOGJZONJTQC-JTQLQIEISA-N 1 1 199.294 1.058 10 0 ADAEMO CC(C)=CC[N@@H+]1CCC[C@@H]1CN 82633376 573136714 /nfs/dbraw/zinc/13/67/14/573136714.db2.gz QHCBQLGHSXBOAJ-SNVBAGLBSA-N 1 1 168.284 1.376 10 0 ADAEMO CC(C)=CC[N@H+]1CCC[C@@H]1CN 82633376 573136720 /nfs/dbraw/zinc/13/67/20/573136720.db2.gz QHCBQLGHSXBOAJ-SNVBAGLBSA-N 1 1 168.284 1.376 10 0 ADAEMO C[C@H](CCC(F)(F)F)[N@@H+](C)CCO 308278610 573136730 /nfs/dbraw/zinc/13/67/30/573136730.db2.gz WCEODIKJLDSXOP-SSDOTTSWSA-N 1 1 199.216 1.642 10 0 ADAEMO C[C@@H]([NH3+])C1(N(C)C)CCCCCC1 85754143 573136732 /nfs/dbraw/zinc/13/67/32/573136732.db2.gz UNIUKBRUSMBZTD-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[N@@H+](C)C[C@@H](C)C(=O)OCC 49849908 573136739 /nfs/dbraw/zinc/13/67/39/573136739.db2.gz YMFPTOSHQLALEA-SECBINFHSA-N 1 1 187.283 1.527 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1c(C)cccc1C 104661659 573136742 /nfs/dbraw/zinc/13/67/42/573136742.db2.gz QTFPUEGTLVXOGL-NSHDSACASA-N 1 1 177.247 1.892 10 0 ADAEMO CC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)O)C1 82644644 573136747 /nfs/dbraw/zinc/13/67/47/573136747.db2.gz PQXUOGJZONJTQC-SNVBAGLBSA-N 1 1 199.294 1.058 10 0 ADAEMO COC(=O)C[C@H]([NH3+])c1occc1C 128802830 573136763 /nfs/dbraw/zinc/13/67/63/573136763.db2.gz YYHNOPFHJJHXPA-ZETCQYMHSA-N 1 1 183.207 1.151 10 0 ADAEMO C[NH2+][C@H](C1CC1)C(C)(C)N1CCCC1 85740725 573136775 /nfs/dbraw/zinc/13/67/75/573136775.db2.gz NYMKAUUANLNEKF-LLVKDONJSA-N 1 1 196.338 1.859 10 0 ADAEMO CN[C@@H](c1ccccc1)C1([NH3+])CC1 259340498 573136842 /nfs/dbraw/zinc/13/68/42/573136842.db2.gz SNQKAHXLDRYDNM-JTQLQIEISA-N 1 1 176.263 1.438 10 0 ADAEMO C[C@@H](O)c1nc2cc(C[NH3+])ccc2[nH]1 82636600 573136845 /nfs/dbraw/zinc/13/68/45/573136845.db2.gz WTMHTVCIUPJSBG-ZCFIWIBFSA-N 1 1 191.234 1.075 10 0 ADAEMO CN(C)C1([C@@H]([NH3+])C2CC2)CCCCC1 85753129 573136872 /nfs/dbraw/zinc/13/68/72/573136872.db2.gz LUCUOIMYAOKMRR-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]([NH3+])C1(N(C)C)CCCC1 85751827 573136896 /nfs/dbraw/zinc/13/68/96/573136896.db2.gz CZJDNNMRCADBMH-QMMMGPOBSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H](C)CCCCO)C1 308277779 573136909 /nfs/dbraw/zinc/13/69/09/573136909.db2.gz VUUSJEKRSRRWLM-QWRGUYRKSA-N 1 1 185.311 1.879 10 0 ADAEMO O=Cc1ccc(O)cc1[C@@H]1CC[NH2+]C1 257955995 573136951 /nfs/dbraw/zinc/13/69/51/573136951.db2.gz BKJCDOSCHXAKGZ-MRVPVSSYSA-N 1 1 191.230 1.282 10 0 ADAEMO CCc1nc(C)c(C(=O)C[NH3+])s1 257956490 573136962 /nfs/dbraw/zinc/13/69/62/573136962.db2.gz WXIVAFUFGZZMJL-UHFFFAOYSA-N 1 1 184.264 1.155 10 0 ADAEMO CC[C@@H]([NH3+])[C@](C)(CC)N(C)C 85744907 573137027 /nfs/dbraw/zinc/13/70/27/573137027.db2.gz BEAJMNNNJJXLQI-BDAKNGLRSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC(CC)[C@@H](C)[NH2+][C@H]1CCOC1=O 308507546 573137079 /nfs/dbraw/zinc/13/70/79/573137079.db2.gz JKYTZMZEWUCOTQ-SCZZXKLOSA-N 1 1 199.294 1.716 10 0 ADAEMO CC[C@](C)([C@H](C)[NH3+])N(C)C 85745240 573137082 /nfs/dbraw/zinc/13/70/82/573137082.db2.gz RADVDVHKBRRLPZ-JGVFFNPUSA-N 1 1 144.262 1.064 10 0 ADAEMO C[C@H]1CC[C@H](N)[C@H]([N@H+]2CC[C@H](C)C2)C1 40717917 573137160 /nfs/dbraw/zinc/13/71/60/573137160.db2.gz MDJODRPPRGOUSH-FIQHERPVSA-N 1 1 196.338 1.844 10 0 ADAEMO CC[C@H]([NH3+])C1(N(C)C)CCCCC1 85753056 573137251 /nfs/dbraw/zinc/13/72/51/573137251.db2.gz AGTGTXBWZBEYPH-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO O=Cc1ccc(O)cc1[C@H]1CC[NH2+]C1 257955998 573137273 /nfs/dbraw/zinc/13/72/73/573137273.db2.gz BKJCDOSCHXAKGZ-QMMMGPOBSA-N 1 1 191.230 1.282 10 0 ADAEMO CCC(CC)([C@@H](C)[NH3+])N(C)C 85750617 573137330 /nfs/dbraw/zinc/13/73/30/573137330.db2.gz BMJRVURZTXNXKG-MRVPVSSYSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC1(CN2CC[NH2+]CC2)CCCC1 82638060 573137362 /nfs/dbraw/zinc/13/73/62/573137362.db2.gz ULOCDOHSURDFIU-UHFFFAOYSA-N 1 1 196.338 1.862 10 0 ADAEMO COC(=O)C[C@@H]([NH3+])c1occc1C 128802599 573137452 /nfs/dbraw/zinc/13/74/52/573137452.db2.gz YYHNOPFHJJHXPA-SSDOTTSWSA-N 1 1 183.207 1.151 10 0 ADAEMO Nc1[nH+]cccc1CC1(O)CCC1 85754284 573137515 /nfs/dbraw/zinc/13/75/15/573137515.db2.gz WQQBUEFKABWRQU-UHFFFAOYSA-N 1 1 178.235 1.121 10 0 ADAEMO C[C@@H]([NH3+])C1(N(C)C)CCCC1 85751829 573137504 /nfs/dbraw/zinc/13/75/04/573137504.db2.gz CZJDNNMRCADBMH-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO Cc1nc(C2(C[NH3+])CC2)[nH]c1C(C)C 258535855 573137979 /nfs/dbraw/zinc/13/79/79/573137979.db2.gz JAWFXCQGBDQLCP-UHFFFAOYSA-N 1 1 193.294 1.832 10 0 ADAEMO O[C@H]1CCCC[C@H]1c1[nH]cc[nH+]1 141960534 573137960 /nfs/dbraw/zinc/13/79/60/573137960.db2.gz CUQMEFPOLZFWDR-SFYZADRCSA-N 1 1 166.224 1.428 10 0 ADAEMO CC[C@@](C)([C@@H](C)[NH3+])N(C)C 85745232 573137974 /nfs/dbraw/zinc/13/79/74/573137974.db2.gz RADVDVHKBRRLPZ-SFYZADRCSA-N 1 1 144.262 1.064 10 0 ADAEMO Cc1cccc([C@](C)(CN)[NH+](C)C)c1 82636928 573138019 /nfs/dbraw/zinc/13/80/19/573138019.db2.gz MJEDILSLJMUNNI-LBPRGKRZSA-N 1 1 192.306 1.731 10 0 ADAEMO CC[C@H]([NH2+]C)C(C)(C)N1CCCC1 85740568 573138056 /nfs/dbraw/zinc/13/80/56/573138056.db2.gz MHTVPBDGZGJSPU-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC(C)CC[NH2+][C@H]1CCN(C)C[C@@H]1C 131985833 573138057 /nfs/dbraw/zinc/13/80/57/573138057.db2.gz WCVMBQZFTRIKPJ-RYUDHWBXSA-N 1 1 198.354 1.962 10 0 ADAEMO O[C@@H]1CCCC[C@@H]1c1[nH]cc[nH+]1 141961103 573138082 /nfs/dbraw/zinc/13/80/82/573138082.db2.gz CUQMEFPOLZFWDR-JGVFFNPUSA-N 1 1 166.224 1.428 10 0 ADAEMO CC[C@H]([NH3+])[C@@](C)(CC)N(C)C 85744895 573138134 /nfs/dbraw/zinc/13/81/34/573138134.db2.gz BEAJMNNNJJXLQI-DTWKUNHWSA-N 1 1 158.289 1.454 10 0 ADAEMO CC(=O)[C@H]1CCC[N@@H+](CC2CC2)C1 82644712 573138194 /nfs/dbraw/zinc/13/81/94/573138194.db2.gz SIPONIBMXLYGHG-NSHDSACASA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@H](O)c1nc2cc(C[NH3+])ccc2[nH]1 82636599 573138280 /nfs/dbraw/zinc/13/82/80/573138280.db2.gz WTMHTVCIUPJSBG-LURJTMIESA-N 1 1 191.234 1.075 10 0 ADAEMO CCC(CC)[C@H](C)[NH2+][C@@H]1CCOC1=O 308507548 573138326 /nfs/dbraw/zinc/13/83/26/573138326.db2.gz JKYTZMZEWUCOTQ-WCBMZHEXSA-N 1 1 199.294 1.716 10 0 ADAEMO C[C@@H]1CCC[C@H]([C@@H]2C[NH2+]CCN2)C1 715491288 573138348 /nfs/dbraw/zinc/13/83/48/573138348.db2.gz AAJNARAOGNFRFF-VWYCJHECSA-N 1 1 182.311 1.374 10 0 ADAEMO CN(C)C1([C@H]([NH3+])C2CC2)CCCCC1 85753127 573138390 /nfs/dbraw/zinc/13/83/90/573138390.db2.gz LUCUOIMYAOKMRR-LLVKDONJSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(=O)[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 82644738 573139008 /nfs/dbraw/zinc/13/90/08/573139008.db2.gz NNMGLXIQKQNNRM-WDEREUQCSA-N 1 1 197.278 1.076 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@H](C(C)=O)C1 82644576 573138506 /nfs/dbraw/zinc/13/85/06/573138506.db2.gz RESXJBVSBDWZAJ-UFFNRZRYSA-N 1 1 181.279 1.864 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc(F)nc1C 104661726 573138596 /nfs/dbraw/zinc/13/85/96/573138596.db2.gz DLUOPBVRYNKUFX-SECBINFHSA-N 1 1 182.198 1.118 10 0 ADAEMO CCC(CC)[C@H](C)[NH2+][C@H]1CCOC1=O 308507550 573138608 /nfs/dbraw/zinc/13/86/08/573138608.db2.gz JKYTZMZEWUCOTQ-WPRPVWTQSA-N 1 1 199.294 1.716 10 0 ADAEMO CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 82644737 573138665 /nfs/dbraw/zinc/13/86/65/573138665.db2.gz NNMGLXIQKQNNRM-GHMZBOCLSA-N 1 1 197.278 1.076 10 0 ADAEMO Cc1ccc([C@@](C)(CN)[NH+](C)C)cc1 82636929 573138952 /nfs/dbraw/zinc/13/89/52/573138952.db2.gz QWBBVVACGHRAOQ-GFCCVEGCSA-N 1 1 192.306 1.731 10 0 ADAEMO CN[C@H](c1ccccc1)C1([NH3+])CC1 259340501 573139223 /nfs/dbraw/zinc/13/92/23/573139223.db2.gz SNQKAHXLDRYDNM-SNVBAGLBSA-N 1 1 176.263 1.438 10 0 ADAEMO CCn1c(C)[nH+]c2c(N)c(O)ccc21 238289785 573139492 /nfs/dbraw/zinc/13/94/92/573139492.db2.gz QMNPUWCYSRZWBU-UHFFFAOYSA-N 1 1 191.234 1.652 10 0 ADAEMO Cc1ccc([C@](C)(CN)[NH+](C)C)cc1 82636930 573139552 /nfs/dbraw/zinc/13/95/52/573139552.db2.gz QWBBVVACGHRAOQ-LBPRGKRZSA-N 1 1 192.306 1.731 10 0 ADAEMO CCc1[nH]c(C2(CO)CC2)[nH+]c1C 258547388 573139998 /nfs/dbraw/zinc/13/99/98/573139998.db2.gz KLBNGVNUUKDWBY-UHFFFAOYSA-N 1 1 180.251 1.304 10 0 ADAEMO C[C@@H]1[NH2+]CCN[C@H]1Cc1ccccc1 258550323 573139765 /nfs/dbraw/zinc/13/97/65/573139765.db2.gz JAHZPYWZJFENNL-JQWIXIFHSA-N 1 1 190.290 1.179 10 0 ADAEMO CNc1[nH]c(C(C)C)c(C)[nH+]1 258549646 573139878 /nfs/dbraw/zinc/13/98/78/573139878.db2.gz KQZBCAGFAVNPTK-UHFFFAOYSA-N 1 1 153.229 1.883 10 0 ADAEMO C[N@H+]1CC[C@H](C2CCC2)[C@H]1CN 258550640 573139939 /nfs/dbraw/zinc/13/99/39/573139939.db2.gz PIANTZSQXYYTFC-NXEZZACHSA-N 1 1 168.284 1.066 10 0 ADAEMO CCc1[nH+]c(C2(CO)CC2)[nH]c1C 258547388 573139992 /nfs/dbraw/zinc/13/99/92/573139992.db2.gz KLBNGVNUUKDWBY-UHFFFAOYSA-N 1 1 180.251 1.304 10 0 ADAEMO CC(C)OC(=O)C[NH2+][C@H]1CC[C@H](C)C1 128929838 573140271 /nfs/dbraw/zinc/14/02/71/573140271.db2.gz SFIUOGPNNUAHEI-UWVGGRQHSA-N 1 1 199.294 1.716 10 0 ADAEMO CSCC[NH2+][C@@H](C)CCN(C)C 128914872 573140397 /nfs/dbraw/zinc/14/03/97/573140397.db2.gz IJTOUSRIDKZKNW-VIFPVBQESA-N 1 1 190.356 1.279 10 0 ADAEMO CCC[N@@H+](C)C[C@H](C)C(=O)OCC 49849910 573140442 /nfs/dbraw/zinc/14/04/42/573140442.db2.gz YMFPTOSHQLALEA-VIFPVBQESA-N 1 1 187.283 1.527 10 0 ADAEMO CC(C)=CC[N@@H+]1CCC[C@H]1CN 82633378 573140488 /nfs/dbraw/zinc/14/04/88/573140488.db2.gz QHCBQLGHSXBOAJ-JTQLQIEISA-N 1 1 168.284 1.376 10 0 ADAEMO CC(C)=CC[N@H+]1CCC[C@H]1CN 82633378 573140493 /nfs/dbraw/zinc/14/04/93/573140493.db2.gz QHCBQLGHSXBOAJ-JTQLQIEISA-N 1 1 168.284 1.376 10 0 ADAEMO Cc1c[nH+]c(N)c(C2(O)CCC2)c1 85754347 573140537 /nfs/dbraw/zinc/14/05/37/573140537.db2.gz BTLOAOLUGVSVTA-UHFFFAOYSA-N 1 1 178.235 1.344 10 0 ADAEMO Cc1ccnc(-c2ncc(C[NH3+])[nH]2)c1 82643907 573140640 /nfs/dbraw/zinc/14/06/40/573140640.db2.gz VCIGWKNVCWXXDK-UHFFFAOYSA-N 1 1 188.234 1.239 10 0 ADAEMO C[C@H](O)c1nc2cccc(C[NH3+])c2[nH]1 82636620 573140686 /nfs/dbraw/zinc/14/06/86/573140686.db2.gz BNCVNUWOPAHDAT-LURJTMIESA-N 1 1 191.234 1.075 10 0 ADAEMO CNC[C@@H]([NH2+]C)c1ccc(C)c(C)c1 259340860 573140944 /nfs/dbraw/zinc/14/09/44/573140944.db2.gz JJGWMTFSTZRVKX-GFCCVEGCSA-N 1 1 192.306 1.783 10 0 ADAEMO CC[C@H](CO)c1[nH]c(C)c(C)[nH+]1 258549698 573141158 /nfs/dbraw/zinc/14/11/58/573141158.db2.gz KTCGJENLNCIEER-MRVPVSSYSA-N 1 1 168.240 1.512 10 0 ADAEMO Cc1cccc([C@@](C)(CN)[NH+](C)C)c1 82636927 573141215 /nfs/dbraw/zinc/14/12/15/573141215.db2.gz MJEDILSLJMUNNI-GFCCVEGCSA-N 1 1 192.306 1.731 10 0 ADAEMO CC(=O)[C@H]1CCC[N@H+](CC(C)C)C1 82644531 573141247 /nfs/dbraw/zinc/14/12/47/573141247.db2.gz YFRFWPCZUPNMPX-NSHDSACASA-N 1 1 183.295 1.943 10 0 ADAEMO CC(C)Cc1coc(C[NH3+])n1 258545727 573141297 /nfs/dbraw/zinc/14/12/97/573141297.db2.gz OYJXSGVUCOVIOT-UHFFFAOYSA-N 1 1 154.213 1.332 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@@H](C(C)=O)C1 82644577 573141316 /nfs/dbraw/zinc/14/13/16/573141316.db2.gz RESXJBVSBDWZAJ-PGLGOXFNSA-N 1 1 181.279 1.864 10 0 ADAEMO CNC[C@H]([NH2+]C)c1ccc(C)c(C)c1 259340863 573141317 /nfs/dbraw/zinc/14/13/17/573141317.db2.gz 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192.262 1.341 10 0 ADAEMO CC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 82653197 573143155 /nfs/dbraw/zinc/14/31/55/573143155.db2.gz CBAPLZDMXZUTFT-SNVBAGLBSA-N 1 1 169.268 1.696 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCC[C@@H]1N 82648319 573143188 /nfs/dbraw/zinc/14/31/88/573143188.db2.gz LEPNZVTZPNJJAI-CHWFTXMASA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]1C[C@@H]1CN(C)[C@@H]1CCC[C@@H]1[NH3+] 82648319 573143194 /nfs/dbraw/zinc/14/31/94/573143194.db2.gz LEPNZVTZPNJJAI-CHWFTXMASA-N 1 1 182.311 1.454 10 0 ADAEMO COC(=O)[C@H](C)C[N@H+]1CC[C@H](C)C1 40718727 573143260 /nfs/dbraw/zinc/14/32/60/573143260.db2.gz POIKSAIJCLWCPW-DTWKUNHWSA-N 1 1 185.267 1.137 10 0 ADAEMO C[C@H]([NH3+])[C@@H]1c2[nH]ncc2CC[C@H]1C 257737444 573143277 /nfs/dbraw/zinc/14/32/77/573143277.db2.gz BFQFESAPKFZOPL-BKPPORCPSA-N 1 1 179.267 1.423 10 0 ADAEMO C1C[NH2+][C@@H]2[C@@H](C1)CCN1CCC[C@@H]21 257738177 573143300 /nfs/dbraw/zinc/14/33/00/573143300.db2.gz CBNWYCMAPOWEMT-GARJFASQSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CCCNC1 82648649 573143351 /nfs/dbraw/zinc/14/33/51/573143351.db2.gz OVBXFPNMGZTTSS-OUAUKWLOSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCCNC1 82648649 573143360 /nfs/dbraw/zinc/14/33/60/573143360.db2.gz OVBXFPNMGZTTSS-OUAUKWLOSA-N 1 1 182.311 1.326 10 0 ADAEMO CCNC[C@@H]([NH2+]C)C1CCCCC1 225320604 573143418 /nfs/dbraw/zinc/14/34/18/573143418.db2.gz HZCLLUUQMUPEJZ-LLVKDONJSA-N 1 1 184.327 1.764 10 0 ADAEMO C1C[NH2+][C@@H]2CCN3CCCC[C@@H]3[C@@H]2C1 257737460 573143452 /nfs/dbraw/zinc/14/34/52/573143452.db2.gz BKXWAWPSRXEFIX-IJLUTSLNSA-N 1 1 194.322 1.613 10 0 ADAEMO CCc1ccncc1[C@@H]([NH3+])C(C)=O 104662878 573143491 /nfs/dbraw/zinc/14/34/91/573143491.db2.gz KVAXCXSCCDJDTM-JTQLQIEISA-N 1 1 178.235 1.233 10 0 ADAEMO C1CC[N@@H+]2[C@H](C1)C[C@H]1NCCC[C@H]12 257738229 573143494 /nfs/dbraw/zinc/14/34/94/573143494.db2.gz CZDLGLLKSCKRCN-GMTAPVOTSA-N 1 1 180.295 1.365 10 0 ADAEMO C1CC[N@H+]2[C@H](C1)C[C@H]1NCCC[C@H]12 257738229 573143500 /nfs/dbraw/zinc/14/35/00/573143500.db2.gz CZDLGLLKSCKRCN-GMTAPVOTSA-N 1 1 180.295 1.365 10 0 ADAEMO CCc1nnc([C@@H]([NH3+])C(C)(C)C)o1 238291064 573143551 /nfs/dbraw/zinc/14/35/51/573143551.db2.gz WLVITPWHVYQAOX-SSDOTTSWSA-N 1 1 183.255 1.678 10 0 ADAEMO Cc1ccc(NC[C@@H]2CCOC2)[nH+]c1 38094767 573143574 /nfs/dbraw/zinc/14/35/74/573143574.db2.gz GBFODBNLEBWVFB-JTQLQIEISA-N 1 1 192.262 1.838 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCCNC1 82648647 573143713 /nfs/dbraw/zinc/14/37/13/573143713.db2.gz OVBXFPNMGZTTSS-GMTAPVOTSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCCNC1 82648647 573143718 /nfs/dbraw/zinc/14/37/18/573143718.db2.gz OVBXFPNMGZTTSS-GMTAPVOTSA-N 1 1 182.311 1.326 10 0 ADAEMO COCc1ccc2cc[nH+]c(N)c2c1 123720640 573143720 /nfs/dbraw/zinc/14/37/20/573143720.db2.gz RFQAFNUXACVUJR-UHFFFAOYSA-N 1 1 188.230 1.963 10 0 ADAEMO C/C=C/C[N@@H+]1CCC[C@@]1(CC)CO 308503000 573143805 /nfs/dbraw/zinc/14/38/05/573143805.db2.gz XUZMCVCFHRQBCN-TZNOJPMFSA-N 1 1 183.295 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573146478 /nfs/dbraw/zinc/14/64/78/573146478.db2.gz GCNZDDWOBNDXIO-JTQLQIEISA-N 1 1 178.235 1.287 10 0 ADAEMO CC(=O)C[N@H+](C)C[C@@H]1C[C@H]1C 82649165 573146526 /nfs/dbraw/zinc/14/65/26/573146526.db2.gz LCVBSRPMZNLDDV-APPZFPTMSA-N 1 1 155.241 1.163 10 0 ADAEMO CC[NH2+][C@H](C(=O)OC)C1(C)CCC1 686134343 573146553 /nfs/dbraw/zinc/14/65/53/573146553.db2.gz RMVVQSIOGCAWIU-MRVPVSSYSA-N 1 1 185.267 1.328 10 0 ADAEMO C[C@@H]1C[C@H]1CN(C)c1[nH+]cccc1N 82648183 573147070 /nfs/dbraw/zinc/14/70/70/573147070.db2.gz QNUAZFXHHFDEJK-BDAKNGLRSA-N 1 1 191.278 1.756 10 0 ADAEMO C[C@H]1C[C@H]1CN(C)c1ccc(N)[nH+]c1 82648214 573147119 /nfs/dbraw/zinc/14/71/19/573147119.db2.gz LPTGXSMHPDXESS-IUCAKERBSA-N 1 1 191.278 1.756 10 0 ADAEMO C[C@@H](F)CC[N@@H+](C)C[C@H]1CCOC1 308287341 573147176 /nfs/dbraw/zinc/14/71/76/573147176.db2.gz ZOIWAAUNYNATHS-NXEZZACHSA-N 1 1 189.274 1.703 10 0 ADAEMO C[NH2+][C@@H](C)c1ccc(CN)o1 258539234 573147185 /nfs/dbraw/zinc/14/71/85/573147185.db2.gz OHQANFIHCYCJHO-LURJTMIESA-N 1 1 154.213 1.019 10 0 ADAEMO C[C@@H]1C[C@H]1CN(C)c1ccc(N)c[nH+]1 82648113 573147282 /nfs/dbraw/zinc/14/72/82/573147282.db2.gz ZAQBLGORGTWVDP-BDAKNGLRSA-N 1 1 191.278 1.756 10 0 ADAEMO CCCC[N@@H+](C)CC1(CO)CCC1 258551712 573147288 /nfs/dbraw/zinc/14/72/88/573147288.db2.gz AMYXGLSXOGGJQL-UHFFFAOYSA-N 1 1 185.311 1.881 10 0 ADAEMO Cc1cccc([C@@H](N)C[NH+](C)C)c1C 85798376 573147314 /nfs/dbraw/zinc/14/73/14/573147314.db2.gz OCJDBOKMYHBQSH-LBPRGKRZSA-N 1 1 192.306 1.865 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCCC[C@@H]1N 82648449 573147376 /nfs/dbraw/zinc/14/73/76/573147376.db2.gz KMIQJGWGOSDMJD-WISYIIOYSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1C[C@@H]1CN(C)[C@@H]1CCCC[C@@H]1[NH3+] 82648449 573147382 /nfs/dbraw/zinc/14/73/82/573147382.db2.gz KMIQJGWGOSDMJD-WISYIIOYSA-N 1 1 196.338 1.844 10 0 ADAEMO CN[C@@H](c1ccc(C)cc1)C1([NH3+])CC1 259343002 573147405 /nfs/dbraw/zinc/14/74/05/573147405.db2.gz SPGZUGOBKUJOFF-NSHDSACASA-N 1 1 190.290 1.747 10 0 ADAEMO C[NH2+][C@H](C)c1ccc(CN)o1 258539239 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187.258 1.599 10 0 ADAEMO CC(=O)c1cnc([C@H]2CC[N@H+](C)C2)o1 257957084 573148710 /nfs/dbraw/zinc/14/87/10/573148710.db2.gz GCFOYCLVSVAZAH-QMMMGPOBSA-N 1 1 194.234 1.296 10 0 ADAEMO CC[C@@H]([NH3+])c1[nH]ccc2nccc1-2 89220536 573148790 /nfs/dbraw/zinc/14/87/90/573148790.db2.gz CARSPJUQAREVJR-MRVPVSSYSA-N 1 1 175.235 1.973 10 0 ADAEMO C/C=C/C=C/C[N@H+]1CC[C@@H](CO)C1 308288172 573148844 /nfs/dbraw/zinc/14/88/44/573148844.db2.gz FKENQUIGCSPULQ-WANFKSSISA-N 1 1 181.279 1.433 10 0 ADAEMO Cn1c(Cl)cnc1[C@H]1CC[N@@H+](C)C1 258539743 573148906 /nfs/dbraw/zinc/14/89/06/573148906.db2.gz NIGFXFLQERKFRU-ZETCQYMHSA-N 1 1 199.685 1.493 10 0 ADAEMO CC[NH2+][C@@H](C(=O)OC)[C@H](C)C(C)C 308288116 573148926 /nfs/dbraw/zinc/14/89/26/573148926.db2.gz AJEPZOZOQJYLKN-RKDXNWHRSA-N 1 1 187.283 1.430 10 0 ADAEMO COC[C@H]([NH3+])c1[nH]ccc2nccc1-2 89220652 573149113 /nfs/dbraw/zinc/14/91/13/573149113.db2.gz UICAFJBNDBQULL-QMMMGPOBSA-N 1 1 191.234 1.209 10 0 ADAEMO C[NH+](C)C[C@@H](N)Cc1ccsc1 85798220 573149114 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/nfs/dbraw/zinc/14/94/71/573149471.db2.gz SKZOGBKKEGGQRN-GFCCVEGCSA-N 1 1 192.306 1.865 10 0 ADAEMO Oc1cnccc1[C@@H]1CCC[NH2+]1 104666342 573149482 /nfs/dbraw/zinc/14/94/82/573149482.db2.gz QJRWUTLXKODWMJ-QMMMGPOBSA-N 1 1 164.208 1.212 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CN)[C@@H](C)C(C)C 308288036 573149604 /nfs/dbraw/zinc/14/96/04/573149604.db2.gz ADIFEGDIDKSHOX-QWRGUYRKSA-N 1 1 186.343 1.948 10 0 ADAEMO C[N@H+]1CC[C@H](C2CCC2)[C@@H]1CN 258550672 573149780 /nfs/dbraw/zinc/14/97/80/573149780.db2.gz PIANTZSQXYYTFC-ZJUUUORDSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H](F)CC[N@@H+](C)C[C@@H]1CCOC1 308287345 573149786 /nfs/dbraw/zinc/14/97/86/573149786.db2.gz ZOIWAAUNYNATHS-ZJUUUORDSA-N 1 1 189.274 1.703 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+](C)C[C@@H](N)CC1CC1 308504257 573149881 /nfs/dbraw/zinc/14/98/81/573149881.db2.gz XZXXZCQEFLHVHH-CABZTGNLSA-N 1 1 196.338 1.844 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc(O)cc1C 104667793 573149888 /nfs/dbraw/zinc/14/98/88/573149888.db2.gz WQGLFYZNGPWLCS-SNVBAGLBSA-N 1 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/nfs/dbraw/zinc/15/01/98/573150198.db2.gz ADIFEGDIDKSHOX-GHMZBOCLSA-N 1 1 186.343 1.948 10 0 ADAEMO C[N@@H+](CC=C1CCC1)C(C)(C)CO 308504545 573150266 /nfs/dbraw/zinc/15/02/66/573150266.db2.gz YOQLFRDNEBLROI-UHFFFAOYSA-N 1 1 183.295 1.799 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1ccc(C)c(N)c1 104666676 573150281 /nfs/dbraw/zinc/15/02/81/573150281.db2.gz JTIMZHKUIGPDEA-JTQLQIEISA-N 1 1 178.235 1.166 10 0 ADAEMO CCC[C@H](O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 85794745 573150299 /nfs/dbraw/zinc/15/02/99/573150299.db2.gz NHQROEYMYZVTOW-OUAUKWLOSA-N 1 1 199.294 1.011 10 0 ADAEMO CN[C@@H](c1cc[nH]c1)C1(C[NH2+]C)CC1 259601829 573150376 /nfs/dbraw/zinc/15/03/76/573150376.db2.gz YCOGXNDUDNJHQZ-JTQLQIEISA-N 1 1 193.294 1.275 10 0 ADAEMO CC(C)(C)[N@H+]1C[C@@H](CO)CC1(C)C 259345503 573150453 /nfs/dbraw/zinc/15/04/53/573150453.db2.gz JJVBSUHRQIAYSO-VIFPVBQESA-N 1 1 185.311 1.878 10 0 ADAEMO Oc1cnccc1[C@H]1CCC[NH2+]1 104666346 573150446 /nfs/dbraw/zinc/15/04/46/573150446.db2.gz QJRWUTLXKODWMJ-MRVPVSSYSA-N 1 1 164.208 1.212 10 0 ADAEMO CCOC(=O)CCCC[N@@H+](C)CC 308287415 573150475 /nfs/dbraw/zinc/15/04/75/573150475.db2.gz CNILCMHFUXZCPK-UHFFFAOYSA-N 1 1 187.283 1.672 10 0 ADAEMO Cc1cc([C@H](N)C[NH+](C)C)cs1 85798515 573150487 /nfs/dbraw/zinc/15/04/87/573150487.db2.gz INCJCVLLYUOEQW-SECBINFHSA-N 1 1 184.308 1.618 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)C[C@@H](N)CC1CC1 308504258 573150628 /nfs/dbraw/zinc/15/06/28/573150628.db2.gz XZXXZCQEFLHVHH-SKDRFNHKSA-N 1 1 196.338 1.844 10 0 ADAEMO CCc1nc(C[NH3+])[nH]c1C(C)C 258541263 573150526 /nfs/dbraw/zinc/15/05/26/573150526.db2.gz OKCJTNRVHUTHIP-UHFFFAOYSA-N 1 1 167.256 1.554 10 0 ADAEMO CC[NH2+][C@H](C(=O)OC)[C@H](C)C(C)C 308288108 573150716 /nfs/dbraw/zinc/15/07/16/573150716.db2.gz AJEPZOZOQJYLKN-BDAKNGLRSA-N 1 1 187.283 1.430 10 0 ADAEMO C[C@@H]([N@@H+](C)CC1COC1)C1(C)CC1 308287673 573150774 /nfs/dbraw/zinc/15/07/74/573150774.db2.gz ZTAZMBAIROPSFV-SECBINFHSA-N 1 1 183.295 1.753 10 0 ADAEMO C[C@H](F)CC[N@@H+](C)CC1(O)CCC1 308287661 573150811 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/nfs/dbraw/zinc/15/24/86/573152486.db2.gz XWFWOSYLIVNMRZ-BQBZGAKWSA-N 1 1 199.216 1.497 10 0 ADAEMO C[NH2+][C@H](CN)c1cc2ccccc2o1 82670406 573152554 /nfs/dbraw/zinc/15/25/54/573152554.db2.gz IDFUTDVSNVCIRM-SECBINFHSA-N 1 1 190.246 1.652 10 0 ADAEMO CC(C)(C)[N@H+]1C[C@H](N)CCC1(C)C 259348610 573152730 /nfs/dbraw/zinc/15/27/30/573152730.db2.gz JQYAGNZYVBJCDS-SECBINFHSA-N 1 1 184.327 1.987 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1/C=C\CO 258236173 573152788 /nfs/dbraw/zinc/15/27/88/573152788.db2.gz PSPAYUOWIKJCCY-OAQKJQOQSA-N 1 1 169.268 1.408 10 0 ADAEMO CCC[C@H](O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 85794741 573152935 /nfs/dbraw/zinc/15/29/35/573152935.db2.gz NHQROEYMYZVTOW-VWYCJHECSA-N 1 1 199.294 1.011 10 0 ADAEMO COC(=O)[C@@H](C)[N@H+](C)CC[C@H](C)F 308288918 573152950 /nfs/dbraw/zinc/15/29/50/573152950.db2.gz CKAOHAXBRHIZMQ-JGVFFNPUSA-N 1 1 191.246 1.228 10 0 ADAEMO COC(=O)[C@@H](C)[N@@H+](C)CC[C@H](C)F 308288918 573152956 /nfs/dbraw/zinc/15/29/56/573152956.db2.gz CKAOHAXBRHIZMQ-JGVFFNPUSA-N 1 1 191.246 1.228 10 0 ADAEMO CCc1oc(N)nc1[C@H]1CC[N@@H+](C)C1 259347330 573152991 /nfs/dbraw/zinc/15/29/91/573152991.db2.gz ZJFZGDGVORNIDH-ZETCQYMHSA-N 1 1 195.266 1.238 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc(N)c(C)c1 104666662 573153212 /nfs/dbraw/zinc/15/32/12/573153212.db2.gz RAXXDDYCKZTXNO-SNVBAGLBSA-N 1 1 178.235 1.166 10 0 ADAEMO C[NH+](C)C[C@@H](N)c1ccccc1Cl 85797924 573153260 /nfs/dbraw/zinc/15/32/60/573153260.db2.gz VVTUBYUTQYVWJW-SNVBAGLBSA-N 1 1 198.697 1.901 10 0 ADAEMO CCC1(C[NH2+]C[C@H](N)CC2CC2)CC1 308506813 573153391 /nfs/dbraw/zinc/15/33/91/573153391.db2.gz ZIOXFRHMWRKXER-LLVKDONJSA-N 1 1 196.338 1.894 10 0 ADAEMO C[C@H]1C[C@@H]1C(=O)OCc1cnc[nH]1 308284553 573153401 /nfs/dbraw/zinc/15/34/01/573153401.db2.gz YISWRZHBEMDHII-XPUUQOCRSA-N 1 1 180.207 1.109 10 0 ADAEMO COc1ccccc1[C@@H](N)[C@@H](C)C[NH3+] 259345914 573153437 /nfs/dbraw/zinc/15/34/37/573153437.db2.gz LUBDUTZRIVDDCN-KWQFWETISA-N 1 1 194.278 1.290 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1C[C@]1(C)NCCO1 258542807 573153446 /nfs/dbraw/zinc/15/34/46/573153446.db2.gz OFTDLGPAMZOOJN-GHMZBOCLSA-N 1 1 198.310 1.197 10 0 ADAEMO COc1ccccc1[C@H](N)[C@@H](C)C[NH3+] 259345903 573153517 /nfs/dbraw/zinc/15/35/17/573153517.db2.gz LUBDUTZRIVDDCN-GZMMTYOYSA-N 1 1 194.278 1.290 10 0 ADAEMO Cn1cnc(C[NH2+]CC2(F)CCC2)c1 308505712 573153743 /nfs/dbraw/zinc/15/37/43/573153743.db2.gz DXJJKNJJQKTBCV-UHFFFAOYSA-N 1 1 197.257 1.402 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc(C)c(N)c1 104666672 573153679 /nfs/dbraw/zinc/15/36/79/573153679.db2.gz JTIMZHKUIGPDEA-SNVBAGLBSA-N 1 1 178.235 1.166 10 0 ADAEMO C[NH2+][C@@H](CN)c1cc2ccccc2o1 82670405 573153710 /nfs/dbraw/zinc/15/37/10/573153710.db2.gz IDFUTDVSNVCIRM-VIFPVBQESA-N 1 1 190.246 1.652 10 0 ADAEMO Cc1ccc([C@@H]2[NH2+]C[C@H](C)CO2)o1 258542870 573153913 /nfs/dbraw/zinc/15/39/13/573153913.db2.gz OGJCBVQBQBJMHK-OIBJUYFYSA-N 1 1 181.235 1.843 10 0 ADAEMO CCCC[N@@H+](C)[C@H]1C[C@@H](C)N(C)C1 308506875 573153923 /nfs/dbraw/zinc/15/39/23/573153923.db2.gz ZQBBWIKFGVOUKH-MNOVXSKESA-N 1 1 184.327 1.811 10 0 ADAEMO CC(C)(C)Cc1noc(C(C)(C)[NH3+])n1 82673330 573153924 /nfs/dbraw/zinc/15/39/24/573153924.db2.gz YVMNIFZOQGMXHK-UHFFFAOYSA-N 1 1 197.282 1.852 10 0 ADAEMO CCCCN(C)[C@H]1C[C@@H](C)[N@H+](C)C1 308506875 573153928 /nfs/dbraw/zinc/15/39/28/573153928.db2.gz ZQBBWIKFGVOUKH-MNOVXSKESA-N 1 1 184.327 1.811 10 0 ADAEMO CCCCN(C)[C@H]1C[C@@H](C)[N@@H+](C)C1 308506875 573153932 /nfs/dbraw/zinc/15/39/32/573153932.db2.gz ZQBBWIKFGVOUKH-MNOVXSKESA-N 1 1 184.327 1.811 10 0 ADAEMO C[C@H](F)CC[N@H+](C)Cc1cc[nH]n1 308282570 573153989 /nfs/dbraw/zinc/15/39/89/573153989.db2.gz XOLWKYKGLVQWPM-QMMMGPOBSA-N 1 1 185.246 1.590 10 0 ADAEMO C[C@H](F)CC[N@@H+](C)Cc1cc[nH]n1 308282570 573153993 /nfs/dbraw/zinc/15/39/93/573153993.db2.gz XOLWKYKGLVQWPM-QMMMGPOBSA-N 1 1 185.246 1.590 10 0 ADAEMO CCn1c(N)[nH+]c2cc(C=O)ccc21 238292133 573154155 /nfs/dbraw/zinc/15/41/55/573154155.db2.gz QSPDVMORSBQKMP-UHFFFAOYSA-N 1 1 189.218 1.451 10 0 ADAEMO CCOC[C@H](C)[N@H+]1CCCOCC1 308288914 573154195 /nfs/dbraw/zinc/15/41/95/573154195.db2.gz CJXCWRFQSNSERH-JTQLQIEISA-N 1 1 187.283 1.134 10 0 ADAEMO CC(C)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 85793216 573154204 /nfs/dbraw/zinc/15/42/04/573154204.db2.gz MXGIUEQWOAHXIW-NXEZZACHSA-N 1 1 197.278 1.075 10 0 ADAEMO Oc1cnccc1[C@H]1CCCC[NH2+]1 104666355 573154242 /nfs/dbraw/zinc/15/42/42/573154242.db2.gz FEOQEYJVCRLTHE-SECBINFHSA-N 1 1 178.235 1.602 10 0 ADAEMO CC(C)[N@H+]1CC[C@@](N)(C(F)(F)F)C1 82670687 573154248 /nfs/dbraw/zinc/15/42/48/573154248.db2.gz WPHMXZPNJNGWBV-ZETCQYMHSA-N 1 1 196.216 1.360 10 0 ADAEMO C[NH+](C)C[C@@H](N)c1ccsc1 85797908 573154253 /nfs/dbraw/zinc/15/42/53/573154253.db2.gz DFGIOANMOANZNJ-MRVPVSSYSA-N 1 1 170.281 1.310 10 0 ADAEMO Cc1ccc([C@H]2[NH2+]C[C@@H](C)CO2)o1 258542871 573154387 /nfs/dbraw/zinc/15/43/87/573154387.db2.gz OGJCBVQBQBJMHK-XCBNKYQSSA-N 1 1 181.235 1.843 10 0 ADAEMO CO[C@@H](C)CCNc1[nH+]cccc1N 308506711 573154392 /nfs/dbraw/zinc/15/43/92/573154392.db2.gz FUVWFZFSJASDHO-QMMMGPOBSA-N 1 1 195.266 1.501 10 0 ADAEMO C[NH2+][C@@H](C)c1nc(CC(C)(C)C)no1 82673232 573154417 /nfs/dbraw/zinc/15/44/17/573154417.db2.gz NWRXMJWBECXPEE-ZETCQYMHSA-N 1 1 197.282 1.939 10 0 ADAEMO COc1ccccc1[C@@H](N)[C@H](C)C[NH3+] 259345909 573154482 /nfs/dbraw/zinc/15/44/82/573154482.db2.gz LUBDUTZRIVDDCN-KCJUWKMLSA-N 1 1 194.278 1.290 10 0 ADAEMO CC(C)(C)[N@H+]1C[C@H](CO)CC1(C)C 259345498 573154550 /nfs/dbraw/zinc/15/45/50/573154550.db2.gz JJVBSUHRQIAYSO-SECBINFHSA-N 1 1 185.311 1.878 10 0 ADAEMO CCCC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 85793218 573154711 /nfs/dbraw/zinc/15/47/11/573154711.db2.gz AXAFBSQBJLXQJJ-KOLCDFICSA-N 1 1 197.278 1.219 10 0 ADAEMO C[C@@H](O)C[N@@H+](C)C[C@@H](C)C(F)(F)F 308283494 573154758 /nfs/dbraw/zinc/15/47/58/573154758.db2.gz XWFWOSYLIVNMRZ-RNFRBKRXSA-N 1 1 199.216 1.497 10 0 ADAEMO C[C@H](O)C[N@@H+](C)C[C@@H](C)C(F)(F)F 308283495 573154825 /nfs/dbraw/zinc/15/48/25/573154825.db2.gz XWFWOSYLIVNMRZ-RQJHMYQMSA-N 1 1 199.216 1.497 10 0 ADAEMO C[NH+](C)C[C@H](N)c1ccsc1 85797903 573154997 /nfs/dbraw/zinc/15/49/97/573154997.db2.gz DFGIOANMOANZNJ-QMMMGPOBSA-N 1 1 170.281 1.310 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1/C=C\CO 258236171 573155071 /nfs/dbraw/zinc/15/50/71/573155071.db2.gz PSPAYUOWIKJCCY-AYYIZTPMSA-N 1 1 169.268 1.408 10 0 ADAEMO CO[C@H](C)CCNc1[nH+]cccc1N 308506706 573155116 /nfs/dbraw/zinc/15/51/16/573155116.db2.gz FUVWFZFSJASDHO-MRVPVSSYSA-N 1 1 195.266 1.501 10 0 ADAEMO Oc1cnccc1[C@@H]1CCCC[NH2+]1 104666351 573155203 /nfs/dbraw/zinc/15/52/03/573155203.db2.gz FEOQEYJVCRLTHE-VIFPVBQESA-N 1 1 178.235 1.602 10 0 ADAEMO CCc1coc(C2([NH3+])CC2)n1 258554463 573155255 /nfs/dbraw/zinc/15/52/55/573155255.db2.gz PSLDTBWFRFQSAV-UHFFFAOYSA-N 1 1 152.197 1.185 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1csc(C)c1 104670212 573156972 /nfs/dbraw/zinc/15/69/72/573156972.db2.gz MGTYGGQOMBRTNI-QMMMGPOBSA-N 1 1 169.249 1.645 10 0 ADAEMO CC(C)[N@@H+](C)CC[C@H]1CCOC1=O 308283940 573155560 /nfs/dbraw/zinc/15/55/60/573155560.db2.gz YADIDNYQKXCUBM-VIFPVBQESA-N 1 1 185.267 1.280 10 0 ADAEMO CCc1oc(N)nc1[C@@H]1CC[N@@H+](C)C1 259347327 573156243 /nfs/dbraw/zinc/15/62/43/573156243.db2.gz ZJFZGDGVORNIDH-SSDOTTSWSA-N 1 1 195.266 1.238 10 0 ADAEMO CN(C)[C@@H]1CC[NH2+][C@H](C2CC2)C1 238293249 573155579 /nfs/dbraw/zinc/15/55/79/573155579.db2.gz FEHUPILXCDGGJB-ZJUUUORDSA-N 1 1 168.284 1.079 10 0 ADAEMO CN[C@@H](c1cccs1)[C@@H]1CC[NH2+]C1 259346788 573155636 /nfs/dbraw/zinc/15/56/36/573155636.db2.gz KNLNUAMMSGIYIK-PSASIEDQSA-N 1 1 196.319 1.618 10 0 ADAEMO CCOC[C@@H](C)[N@H+]1CCCOCC1 308288916 573155700 /nfs/dbraw/zinc/15/57/00/573155700.db2.gz CJXCWRFQSNSERH-SNVBAGLBSA-N 1 1 187.283 1.134 10 0 ADAEMO CCCC[N@@H+](C)[C@H]1C[C@H](C)N(C)C1 308506877 573155775 /nfs/dbraw/zinc/15/57/75/573155775.db2.gz ZQBBWIKFGVOUKH-QWRGUYRKSA-N 1 1 184.327 1.811 10 0 ADAEMO CCCCN(C)[C@H]1C[C@H](C)[N@H+](C)C1 308506877 573155781 /nfs/dbraw/zinc/15/57/81/573155781.db2.gz ZQBBWIKFGVOUKH-QWRGUYRKSA-N 1 1 184.327 1.811 10 0 ADAEMO CCCCN(C)[C@H]1C[C@H](C)[N@@H+](C)C1 308506877 573155789 /nfs/dbraw/zinc/15/57/89/573155789.db2.gz ZQBBWIKFGVOUKH-QWRGUYRKSA-N 1 1 184.327 1.811 10 0 ADAEMO CC(C)[N@@H+](C)CC[C@@H]1CCOC1=O 308283939 573155824 /nfs/dbraw/zinc/15/58/24/573155824.db2.gz YADIDNYQKXCUBM-SECBINFHSA-N 1 1 185.267 1.280 10 0 ADAEMO C[C@@H](F)CC[N@H+](C)Cc1cc[nH]n1 308282569 573155838 /nfs/dbraw/zinc/15/58/38/573155838.db2.gz XOLWKYKGLVQWPM-MRVPVSSYSA-N 1 1 185.246 1.590 10 0 ADAEMO C[C@@H](F)CC[N@@H+](C)Cc1cc[nH]n1 308282569 573155846 /nfs/dbraw/zinc/15/58/46/573155846.db2.gz XOLWKYKGLVQWPM-MRVPVSSYSA-N 1 1 185.246 1.590 10 0 ADAEMO C[NH+](C)[C@@H]1Cc2ccccc2NC1=O 238293820 573155852 /nfs/dbraw/zinc/15/58/52/573155852.db2.gz OZOFTJDNSBQYTH-SNVBAGLBSA-N 1 1 190.246 1.111 10 0 ADAEMO CCCCC[C@H](C)[N@@H+](C)CC(N)=O 308506492 573155915 /nfs/dbraw/zinc/15/59/15/573155915.db2.gz ZJHFPJZAPZRBMR-VIFPVBQESA-N 1 1 186.299 1.372 10 0 ADAEMO CN[C@H](c1cccs1)[C@@H]1CC[NH2+]C1 259346793 573155992 /nfs/dbraw/zinc/15/59/92/573155992.db2.gz KNLNUAMMSGIYIK-SCZZXKLOSA-N 1 1 196.319 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/nfs/dbraw/zinc/15/62/22/573156222.db2.gz QUGVCMPBGKBISX-NXEZZACHSA-N 1 1 181.279 1.528 10 0 ADAEMO N[C@H](c1ccccc1)C1(C[NH3+])CCC1 259348142 573156358 /nfs/dbraw/zinc/15/63/58/573156358.db2.gz JQXZELYGBJFURV-LLVKDONJSA-N 1 1 190.290 1.815 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1sccc1C 104669568 573156383 /nfs/dbraw/zinc/15/63/83/573156383.db2.gz USSMJAWZYARVHE-ZETCQYMHSA-N 1 1 169.249 1.645 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1C[C@@]1(C)NCCO1 258542808 573156425 /nfs/dbraw/zinc/15/64/25/573156425.db2.gz OFTDLGPAMZOOJN-MNOVXSKESA-N 1 1 198.310 1.197 10 0 ADAEMO CN(C)[C@@H]1CC[NH2+][C@@H](C2CC2)C1 238293232 573156434 /nfs/dbraw/zinc/15/64/34/573156434.db2.gz FEHUPILXCDGGJB-NXEZZACHSA-N 1 1 168.284 1.079 10 0 ADAEMO CN[C@H](c1cccs1)[C@H]1CC[NH2+]C1 259346801 573156471 /nfs/dbraw/zinc/15/64/71/573156471.db2.gz KNLNUAMMSGIYIK-WPRPVWTQSA-N 1 1 196.319 1.618 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc(C)cc1N 104669517 573156506 /nfs/dbraw/zinc/15/65/06/573156506.db2.gz MUSBOHCTPXZDDA-SNVBAGLBSA-N 1 1 178.235 1.166 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1cc(C)cs1 104671026 573156610 /nfs/dbraw/zinc/15/66/10/573156610.db2.gz HHJGWGKHFWWYFD-QMMMGPOBSA-N 1 1 169.249 1.645 10 0 ADAEMO NC[C@H]1CCC[N@@H+]1CCCC(F)F 688716605 573156946 /nfs/dbraw/zinc/15/69/46/573156946.db2.gz HEXMZPHAKVYBSO-MRVPVSSYSA-N 1 1 192.253 1.455 10 0 ADAEMO Cc1ccc([C@@H]2[NH2+]C[C@@H](C)CO2)o1 258542868 573156647 /nfs/dbraw/zinc/15/66/47/573156647.db2.gz OGJCBVQBQBJMHK-GMSGAONNSA-N 1 1 181.235 1.843 10 0 ADAEMO NC[C@H]1CCC[N@H+]1CCCC(F)F 688716605 573156953 /nfs/dbraw/zinc/15/69/53/573156953.db2.gz HEXMZPHAKVYBSO-MRVPVSSYSA-N 1 1 192.253 1.455 10 0 ADAEMO CCCc1nc(CCC[NH3+])[nH]c1C 258554825 573156708 /nfs/dbraw/zinc/15/67/08/573156708.db2.gz LGGLRJHVMPQCED-UHFFFAOYSA-N 1 1 181.283 1.562 10 0 ADAEMO CCCc1[nH]c(CCC[NH3+])nc1C 258554825 573156716 /nfs/dbraw/zinc/15/67/16/573156716.db2.gz LGGLRJHVMPQCED-UHFFFAOYSA-N 1 1 181.283 1.562 10 0 ADAEMO C[C@@H]1C[C@H]1C(=O)OCc1cnc[nH]1 308284539 573156780 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ADAEMO CC(=O)[C@H]([NH3+])c1cccc(O)c1C 104670117 573157919 /nfs/dbraw/zinc/15/79/19/573157919.db2.gz DYQBTJRDDSEFTO-JTQLQIEISA-N 1 1 179.219 1.289 10 0 ADAEMO C[C@H]([N@@H+](C)[C@H]1C[C@H]1CO)C(C)(C)C 308285056 573158540 /nfs/dbraw/zinc/15/85/40/573158540.db2.gz YQIOTAKFBOGCRJ-GUBZILKMSA-N 1 1 185.311 1.734 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1ccc(C)cc1N 104669520 573158032 /nfs/dbraw/zinc/15/80/32/573158032.db2.gz MUSBOHCTPXZDDA-JTQLQIEISA-N 1 1 178.235 1.166 10 0 ADAEMO CCc1nc(C[NH3+])[nH]c1C1CC1 258554505 573158099 /nfs/dbraw/zinc/15/80/99/573158099.db2.gz PUESDKGPYUHBNS-UHFFFAOYSA-N 1 1 165.240 1.308 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1ccc(N)cc1C 104671846 573158100 /nfs/dbraw/zinc/15/81/00/573158100.db2.gz BQNUNMKQPGIKQF-JTQLQIEISA-N 1 1 178.235 1.166 10 0 ADAEMO O[C@H]1CC[C@@H]1[N@H+]1CCC12CCCC2 687983054 573158119 /nfs/dbraw/zinc/15/81/19/573158119.db2.gz QUGVCMPBGKBISX-UWVGGRQHSA-N 1 1 181.279 1.528 10 0 ADAEMO CC[C@@H]1[C@@H](C)C(=O)C[C@@H](C)[N@H+]1C 238294504 573158211 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C[C@H](N)C[N@@H+](C)CC[C@H]1C[C@@H]1C1CC1 714842067 573159300 /nfs/dbraw/zinc/15/93/00/573159300.db2.gz VUBHZFWENQMEKX-ZMLRMANQSA-N 1 1 196.338 1.702 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1cccc(C)c1N 104669502 573158742 /nfs/dbraw/zinc/15/87/42/573158742.db2.gz QQLHYUILRPGEFH-SNVBAGLBSA-N 1 1 178.235 1.166 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc(C)s1 104670987 573158769 /nfs/dbraw/zinc/15/87/69/573158769.db2.gz QBGOOJNKTDHRCO-MRVPVSSYSA-N 1 1 169.249 1.645 10 0 ADAEMO CC[N@H+]1CC[C@@H](Cc2oncc2N)C1 259348976 573158807 /nfs/dbraw/zinc/15/88/07/573158807.db2.gz UEPYJFNVUDIYEQ-QMMMGPOBSA-N 1 1 195.266 1.141 10 0 ADAEMO C[C@@H](CCCO)[NH2+]C(C)(C)C(F)F 308284645 573158857 /nfs/dbraw/zinc/15/88/57/573158857.db2.gz YKVZCCHGTSWTOF-ZETCQYMHSA-N 1 1 195.253 1.781 10 0 ADAEMO C[N@H+]1CCC[C@]2(O)CCCC[C@@H]12 238293155 573159008 /nfs/dbraw/zinc/15/90/08/573159008.db2.gz GYQNKQBDFFPRQL-NXEZZACHSA-N 1 1 169.268 1.386 10 0 ADAEMO CC[C@H](C)[N@H+](C)Cc1cc(C)[nH]n1 308284908 573159037 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183.276 1.954 10 0 ADAEMO C[C@H]([NH3+])CN(C)CC[C@H]1C[C@@H]1C1CC1 714842067 573159290 /nfs/dbraw/zinc/15/92/90/573159290.db2.gz VUBHZFWENQMEKX-ZMLRMANQSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@H](CCCO)[NH2+]C(C)(C)C(F)F 308284644 573159346 /nfs/dbraw/zinc/15/93/46/573159346.db2.gz YKVZCCHGTSWTOF-SSDOTTSWSA-N 1 1 195.253 1.781 10 0 ADAEMO CC(C)[N@H+]1CC=C(CF)C1 257954452 573159488 /nfs/dbraw/zinc/15/94/88/573159488.db2.gz FKCQIRNHKQHEJP-UHFFFAOYSA-N 1 1 143.205 1.606 10 0 ADAEMO C[C@H]([N@@H+](C)[C@@H]1C[C@H]1CO)C(C)(C)C 308285064 573159539 /nfs/dbraw/zinc/15/95/39/573159539.db2.gz YQIOTAKFBOGCRJ-LPEHRKFASA-N 1 1 185.311 1.734 10 0 ADAEMO [NH3+]C1C(=O)N(C2CC2)N=C1C1CC1 642856458 573159630 /nfs/dbraw/zinc/15/96/30/573159630.db2.gz VYADBWORHWLVFH-UHFFFAOYSA-N 1 1 179.223 1.383 10 0 ADAEMO CCc1oc(C[NH3+])nc1C1CC1 258562188 573159680 /nfs/dbraw/zinc/15/96/80/573159680.db2.gz QQKIFCZAHIPNHX-UHFFFAOYSA-N 1 1 166.224 1.573 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1ccc(Cl)nc1 104671891 573159752 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CPKDKDYWLPIVPT-VXGBXAGGSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@H](C1CC1)[N@H+]1CC[C@@H](NC)C1 308512134 573168584 /nfs/dbraw/zinc/16/85/84/573168584.db2.gz CPKDKDYWLPIVPT-VXGBXAGGSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[NH2+]C[C@@H](C)[C@@H](C)N1CC=CC1 308511863 573168753 /nfs/dbraw/zinc/16/87/53/573168753.db2.gz KEAXYZSOGVKFEP-VXGBXAGGSA-N 1 1 196.338 1.881 10 0 ADAEMO C[C@@H]1CN[C@@](C)([C@@H]2CCC[N@@H+](C)C2)O1 258561754 573168794 /nfs/dbraw/zinc/16/87/94/573168794.db2.gz OYAYOZSOMYOGPR-GMTAPVOTSA-N 1 1 198.310 1.053 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1cnc(F)cc1C 104674433 573168839 /nfs/dbraw/zinc/16/88/39/573168839.db2.gz DHZNAJXSMGEAFW-SECBINFHSA-N 1 1 182.198 1.118 10 0 ADAEMO C/C=C\CN(C)C[C@H]1CC[N@H+](C)C1 308289382 573169399 /nfs/dbraw/zinc/16/93/99/573169399.db2.gz GCWMWRNMQKBOPF-DOGVGXBMSA-N 1 1 182.311 1.446 10 0 ADAEMO C/C=C\CN(C)C[C@H]1CC[N@@H+](C)C1 308289382 573169403 /nfs/dbraw/zinc/16/94/03/573169403.db2.gz GCWMWRNMQKBOPF-DOGVGXBMSA-N 1 1 182.311 1.446 10 0 ADAEMO C/C=C\C[N@H+](C)C[C@H]1CCN(C)C1 308289382 573169407 /nfs/dbraw/zinc/16/94/07/573169407.db2.gz GCWMWRNMQKBOPF-DOGVGXBMSA-N 1 1 182.311 1.446 10 0 ADAEMO CC[C@@H]1[C@H](O)CCC[N@H+]1CC 238298698 573169098 /nfs/dbraw/zinc/16/90/98/573169098.db2.gz GRMDURQWPKRPMA-RKDXNWHRSA-N 1 1 157.257 1.242 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1cccc(N)c1C 104675242 573169202 /nfs/dbraw/zinc/16/92/02/573169202.db2.gz APRVVSZQKUGDBA-JTQLQIEISA-N 1 1 178.235 1.166 10 0 ADAEMO CC(C)(C)[C@@H](O)C[N@H+]1CCC1(C)C 642856101 573169292 /nfs/dbraw/zinc/16/92/92/573169292.db2.gz IZRIKVVTVNMNSQ-VIFPVBQESA-N 1 1 185.311 1.878 10 0 ADAEMO CN1CCC[NH2+][C@H](CC2CC2)C1 238298723 573169299 /nfs/dbraw/zinc/16/92/99/573169299.db2.gz XWBXZVYRIKCLRG-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]([NH3+])c1nnc(N[C@@H]2CC2(C)C)o1 235516147 573169362 /nfs/dbraw/zinc/16/93/62/573169362.db2.gz RKKNCEGCFOOGFB-NTSWFWBYSA-N 1 1 196.254 1.300 10 0 ADAEMO CCc1ccn2c[nH+]cc2c1OC 238298541 573169575 /nfs/dbraw/zinc/16/95/75/573169575.db2.gz ZHSGONJBASUIEJ-UHFFFAOYSA-N 1 1 176.219 1.905 10 0 ADAEMO COc1cc([C@@H]([NH3+])C(C)=O)ccc1C 104678735 573169698 /nfs/dbraw/zinc/16/96/98/573169698.db2.gz JKVCFCXCILEUGP-NSHDSACASA-N 1 1 193.246 1.592 10 0 ADAEMO CN1CCC[NH2+]Cc2ccccc2C1 238298641 573169706 /nfs/dbraw/zinc/16/97/06/573169706.db2.gz ALRCXORNHZNCHW-UHFFFAOYSA-N 1 1 190.290 1.612 10 0 ADAEMO C[N@@H+]1CCCNCc2ccccc2C1 238298641 573169714 /nfs/dbraw/zinc/16/97/14/573169714.db2.gz ALRCXORNHZNCHW-UHFFFAOYSA-N 1 1 190.290 1.612 10 0 ADAEMO C[N@H+]1CCCNCc2ccccc2C1 238298641 573169719 /nfs/dbraw/zinc/16/97/19/573169719.db2.gz ALRCXORNHZNCHW-UHFFFAOYSA-N 1 1 190.290 1.612 10 0 ADAEMO Cc1[nH]c(C[C@@H](C)C[NH3+])nc1C(C)C 258563971 573169745 /nfs/dbraw/zinc/16/97/45/573169745.db2.gz MLTWIRBPVQMVBV-MRVPVSSYSA-N 1 1 195.310 1.979 10 0 ADAEMO Cc1nc(C[C@@H](C)C[NH3+])[nH]c1C(C)C 258563971 573169754 /nfs/dbraw/zinc/16/97/54/573169754.db2.gz MLTWIRBPVQMVBV-MRVPVSSYSA-N 1 1 195.310 1.979 10 0 ADAEMO Nc1ccnc2ccc(C[NH3+])cc12 257957689 573169776 /nfs/dbraw/zinc/16/97/76/573169776.db2.gz XCLMULDIEPSMFM-UHFFFAOYSA-N 1 1 173.219 1.276 10 0 ADAEMO Nc1ccc(N2C[C@@H]3CC[C@H]3C2)[nH+]c1 115233530 573169796 /nfs/dbraw/zinc/16/97/96/573169796.db2.gz FSZHXNVUEMGOIS-IUCAKERBSA-N 1 1 189.262 1.510 10 0 ADAEMO CC[C@]1(C)CC(=O)C[C@@H](C)[N@H+]1C 238303266 573169897 /nfs/dbraw/zinc/16/98/97/573169897.db2.gz WJZIWJNPEHMTNJ-PSASIEDQSA-N 1 1 169.268 1.838 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1C[C@H]1NCCO1 258237787 573170198 /nfs/dbraw/zinc/17/01/98/573170198.db2.gz ZLHHXHJEMRODSV-MNOVXSKESA-N 1 1 198.310 1.197 10 0 ADAEMO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H]2C[C@@H]21 308290474 573169982 /nfs/dbraw/zinc/16/99/82/573169982.db2.gz GTKQCFWLHJGXOK-HLTSFMKQSA-N 1 1 183.251 1.032 10 0 ADAEMO C[N@H+]1CCC[C@@H]1C[C@@H]1NCC(C)(C)O1 258561992 573170130 /nfs/dbraw/zinc/17/01/30/573170130.db2.gz PAKZXSBUUHPSNW-NXEZZACHSA-N 1 1 198.310 1.195 10 0 ADAEMO C[C@H]([NH3+])c1nnc(N[C@H]2CC2(C)C)o1 235516745 573170234 /nfs/dbraw/zinc/17/02/34/573170234.db2.gz RKKNCEGCFOOGFB-WDSKDSINSA-N 1 1 196.254 1.300 10 0 ADAEMO C[N@H+]1CCC[C@@H](C2CC2)[C@@H]1CN 238298848 573170338 /nfs/dbraw/zinc/17/03/38/573170338.db2.gz KUSJUUJZUNCSQE-UWVGGRQHSA-N 1 1 168.284 1.066 10 0 ADAEMO CC[C@]1(C)CC(=O)[C@H](C)C[N@H+]1C 238303369 573170373 /nfs/dbraw/zinc/17/03/73/573170373.db2.gz AJZDNOXUICHEIO-PSASIEDQSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC(=O)CC1(C)C 259351426 573170446 /nfs/dbraw/zinc/17/04/46/573170446.db2.gz JUIRTCNJCHKJME-MRVPVSSYSA-N 1 1 169.268 1.838 10 0 ADAEMO Cc1[nH]c(C[C@H](C)C[NH3+])nc1C(C)C 258563973 573170499 /nfs/dbraw/zinc/17/04/99/573170499.db2.gz MLTWIRBPVQMVBV-QMMMGPOBSA-N 1 1 195.310 1.979 10 0 ADAEMO Cc1nc(C[C@H](C)C[NH3+])[nH]c1C(C)C 258563973 573170522 /nfs/dbraw/zinc/17/05/22/573170522.db2.gz MLTWIRBPVQMVBV-QMMMGPOBSA-N 1 1 195.310 1.979 10 0 ADAEMO C[C@@H]1CN[C@](C)([C@@H]2CCC[N@@H+](C)C2)O1 258561758 573170613 /nfs/dbraw/zinc/17/06/13/573170613.db2.gz OYAYOZSOMYOGPR-MXWKQRLJSA-N 1 1 198.310 1.053 10 0 ADAEMO Nc1ccc(N2C[C@H]3C[C@H]3C2)[nH+]c1 115237142 573170618 /nfs/dbraw/zinc/17/06/18/573170618.db2.gz RUDNOKNVKDELPR-OCAPTIKFSA-N 1 1 175.235 1.120 10 0 ADAEMO FCCC[NH2+][C@H]1CCCc2[nH]ncc21 308508911 573170629 /nfs/dbraw/zinc/17/06/29/573170629.db2.gz HYJARYRHWYVRIL-VIFPVBQESA-N 1 1 197.257 1.736 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1C[C@H]1NCCO1 258237799 573170660 /nfs/dbraw/zinc/17/06/60/573170660.db2.gz ZLHHXHJEMRODSV-QWRGUYRKSA-N 1 1 198.310 1.197 10 0 ADAEMO COC(C[N@H+]1CCC[C@H]2C[C@H]21)OC 308290652 573170971 /nfs/dbraw/zinc/17/09/71/573170971.db2.gz DPCIARDOBMNSQU-DTWKUNHWSA-N 1 1 185.267 1.090 10 0 ADAEMO C/C=C/C=C\C[NH+]1CCOCC1 225620919 573171100 /nfs/dbraw/zinc/17/11/00/573171100.db2.gz HENKQYUNEPYEQU-IAROGAJJSA-N 1 1 167.252 1.451 10 0 ADAEMO C/C=C\C[N@H+](C)C[C@@H](O)C(F)(F)F 308290988 573171235 /nfs/dbraw/zinc/17/12/35/573171235.db2.gz GZUVUGXZNVVVCY-KFOINNEUSA-N 1 1 197.200 1.418 10 0 ADAEMO C/C=C\C[N@@H+](C)C[C@@H](O)C(F)(F)F 308290988 573171240 /nfs/dbraw/zinc/17/12/40/573171240.db2.gz GZUVUGXZNVVVCY-KFOINNEUSA-N 1 1 197.200 1.418 10 0 ADAEMO CC[C@H]1CC[C@@]2(C)NCC[N@@H+]2C1 238303293 573171299 /nfs/dbraw/zinc/17/12/99/573171299.db2.gz MAXHIBHPTGALFG-UWVGGRQHSA-N 1 1 168.284 1.428 10 0 ADAEMO CC[C@H]1CC[C@@]2(C)NCC[N@H+]2C1 238303293 573171303 /nfs/dbraw/zinc/17/13/03/573171303.db2.gz MAXHIBHPTGALFG-UWVGGRQHSA-N 1 1 168.284 1.428 10 0 ADAEMO CC1CC([N@H+]2CC[C@H](CO)C2)C1 123757928 573171346 /nfs/dbraw/zinc/17/13/46/573171346.db2.gz LTKJVAJFGZUASY-KYHHOPLUSA-N 1 1 169.268 1.099 10 0 ADAEMO CC[C@](C)(O)C[N@H+]1CC[C@@H]1C(C)C 308292104 573171360 /nfs/dbraw/zinc/17/13/60/573171360.db2.gz HTSBMCMLOUNEEY-MNOVXSKESA-N 1 1 185.311 1.878 10 0 ADAEMO CC(C)[C@@H](C)[C@@H](CN)[N@@H+](C)CC1CC1 308508109 573171389 /nfs/dbraw/zinc/17/13/89/573171389.db2.gz HDLDXDRJSUVAEJ-ZYHUDNBSSA-N 1 1 198.354 1.948 10 0 ADAEMO CCC[C@@]([NH2+]C)(C(=O)OCC)C1CC1 308508209 573171418 /nfs/dbraw/zinc/17/14/18/573171418.db2.gz AUHJMDSPOJUPAW-NSHDSACASA-N 1 1 199.294 1.718 10 0 ADAEMO [NH3+]CCc1ccc(CNCCF)cc1 308508152 573171432 /nfs/dbraw/zinc/17/14/32/573171432.db2.gz ARNOMBGLQPOUJQ-UHFFFAOYSA-N 1 1 196.269 1.247 10 0 ADAEMO CC[C@]1(C)CC(=O)[C@@H](C)C[N@H+]1C 238303334 573171509 /nfs/dbraw/zinc/17/15/09/573171509.db2.gz AJZDNOXUICHEIO-WCBMZHEXSA-N 1 1 169.268 1.696 10 0 ADAEMO CN(C)[C@@]12C=C[C@@](C)(C1)[C@@H]1C[NH2+]C[C@@H]12 238303475 573171586 /nfs/dbraw/zinc/17/15/86/573171586.db2.gz AXCVURLNAXXXGW-RHYQMDGZSA-N 1 1 192.306 1.102 10 0 ADAEMO Cc1nc([C@H](C)C[NH3+])[nH]c1C(C)C 258566287 573171670 /nfs/dbraw/zinc/17/16/70/573171670.db2.gz MUQQEIRDDMUXEU-SSDOTTSWSA-N 1 1 181.283 1.904 10 0 ADAEMO CC[C@](C)(O)C[N@H+]1CC[C@H]1C(C)C 308292106 573171680 /nfs/dbraw/zinc/17/16/80/573171680.db2.gz HTSBMCMLOUNEEY-QWRGUYRKSA-N 1 1 185.311 1.878 10 0 ADAEMO C/C=C\C[N@H+](C)C[C@H](O)C(F)(F)F 308290987 573171767 /nfs/dbraw/zinc/17/17/67/573171767.db2.gz GZUVUGXZNVVVCY-AVALRIAPSA-N 1 1 197.200 1.418 10 0 ADAEMO C/C=C\C[N@@H+](C)C[C@H](O)C(F)(F)F 308290987 573171774 /nfs/dbraw/zinc/17/17/74/573171774.db2.gz GZUVUGXZNVVVCY-AVALRIAPSA-N 1 1 197.200 1.418 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1C[C@@H]1NCCO1 258237777 573171821 /nfs/dbraw/zinc/17/18/21/573171821.db2.gz ZLHHXHJEMRODSV-GHMZBOCLSA-N 1 1 198.310 1.197 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1ccc2c(c1)OCO2 104678078 573171850 /nfs/dbraw/zinc/17/18/50/573171850.db2.gz BDJKDVMEXCHGBC-JTQLQIEISA-N 1 1 193.202 1.004 10 0 ADAEMO CCOCCOc1cc[nH+]c(C)c1 308291295 573171907 /nfs/dbraw/zinc/17/19/07/573171907.db2.gz FCHOBGNNUJQJRR-UHFFFAOYSA-N 1 1 181.235 1.805 10 0 ADAEMO FCCC[NH2+][C@@H]1CCCc2[nH]ncc21 308508910 573171988 /nfs/dbraw/zinc/17/19/88/573171988.db2.gz HYJARYRHWYVRIL-SECBINFHSA-N 1 1 197.257 1.736 10 0 ADAEMO CC[C@H]1COC[C@]1([NH2+]C)C(F)F 642858828 573172000 /nfs/dbraw/zinc/17/20/00/573172000.db2.gz QOVBOTDBIHGWIO-POYBYMJQSA-N 1 1 179.210 1.266 10 0 ADAEMO CCc1cc(O)ccc1[C@@H]([NH3+])C(C)=O 104678721 573172072 /nfs/dbraw/zinc/17/20/72/573172072.db2.gz HXNRGOPBWVJJQO-NSHDSACASA-N 1 1 193.246 1.543 10 0 ADAEMO CCc1cc(C(=O)C[NH3+])ccc1F 257958303 573172102 /nfs/dbraw/zinc/17/21/02/573172102.db2.gz GOIPQVIWUUGDCM-UHFFFAOYSA-N 1 1 181.210 1.530 10 0 ADAEMO CC(C)[C@H](C)[C@H](CN)[N@@H+](C)CC1CC1 308508107 573172221 /nfs/dbraw/zinc/17/22/21/573172221.db2.gz HDLDXDRJSUVAEJ-JQWIXIFHSA-N 1 1 198.354 1.948 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1cc(C)c(O)c(C)c1 104678123 573172435 /nfs/dbraw/zinc/17/24/35/573172435.db2.gz YKYBLUKSOKWEIU-JTQLQIEISA-N 1 1 193.246 1.598 10 0 ADAEMO C[N@@H+]1Cc2ccc(C(C)(C)O)cc2C1 257958173 573172452 /nfs/dbraw/zinc/17/24/52/573172452.db2.gz BNZQFPBZODANIB-UHFFFAOYSA-N 1 1 191.274 1.859 10 0 ADAEMO C[N@H+]1Cc2ccc(C(C)(C)O)cc2C1 257958173 573172460 /nfs/dbraw/zinc/17/24/60/573172460.db2.gz BNZQFPBZODANIB-UHFFFAOYSA-N 1 1 191.274 1.859 10 0 ADAEMO CCCC[NH2+][C@@H](CC)C(=O)OCC 82757712 573172535 /nfs/dbraw/zinc/17/25/35/573172535.db2.gz AQBKJTZUGPUTBM-VIFPVBQESA-N 1 1 187.283 1.718 10 0 ADAEMO C/C=C\C[N@H+]1CCC[C@@](C)(CO)C1 308290703 573172570 /nfs/dbraw/zinc/17/25/70/573172570.db2.gz GVKMTBDCOFFRLT-DLRQAJBASA-N 1 1 183.295 1.657 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H]([C@]2(C)NCCO2)C1 258568198 573172618 /nfs/dbraw/zinc/17/26/18/573172618.db2.gz PGSNXWJIFFGLIR-GHMZBOCLSA-N 1 1 198.310 1.053 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1C[C@@H]1NCCO1 258237808 573172631 /nfs/dbraw/zinc/17/26/31/573172631.db2.gz ZLHHXHJEMRODSV-WDEREUQCSA-N 1 1 198.310 1.197 10 0 ADAEMO Cc1c(O)cccc1[C@H]1COCC[NH2+]1 104678113 573172641 /nfs/dbraw/zinc/17/26/41/573172641.db2.gz IWENHVXKCFOXBQ-SNVBAGLBSA-N 1 1 193.246 1.362 10 0 ADAEMO CC[C@H](C(=O)OC)[C@@H]1CC[N@@H+](C)C1 259355313 573173668 /nfs/dbraw/zinc/17/36/68/573173668.db2.gz UCRRYDMORDGIRF-BDAKNGLRSA-N 1 1 185.267 1.137 10 0 ADAEMO C[N@H+](C1CCC(=O)CC1)[C@@H]1CCOC1 85871806 573172758 /nfs/dbraw/zinc/17/27/58/573172758.db2.gz VORXXIDWAHZUNQ-SNVBAGLBSA-N 1 1 197.278 1.219 10 0 ADAEMO C[NH2+]CCc1nc(C)c(CC(C)C)[nH]1 258566213 573172830 /nfs/dbraw/zinc/17/28/30/573172830.db2.gz MRNXSHAMZGXNHL-UHFFFAOYSA-N 1 1 195.310 1.679 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H]([C@@]2(C)NCCO2)C1 258568200 573172901 /nfs/dbraw/zinc/17/29/01/573172901.db2.gz PGSNXWJIFFGLIR-MNOVXSKESA-N 1 1 198.310 1.053 10 0 ADAEMO CCc1ccc(O)cc1[C@H]([NH3+])C(C)=O 104678725 573172934 /nfs/dbraw/zinc/17/29/34/573172934.db2.gz KRVIXBIPEBIIHJ-LLVKDONJSA-N 1 1 193.246 1.543 10 0 ADAEMO CC(C)c1nc2c([nH]1)C[N@@H+](C)CC2 115248633 573172944 /nfs/dbraw/zinc/17/29/44/573172944.db2.gz IBQZGJXDDLXKQH-UHFFFAOYSA-N 1 1 179.267 1.521 10 0 ADAEMO NC[C@H]([NH3+])c1ccc2c(c1)CCCN2 104676171 573172978 /nfs/dbraw/zinc/17/29/78/573172978.db2.gz XJMBZFIZXYXELC-JTQLQIEISA-N 1 1 191.278 1.003 10 0 ADAEMO Cc1nc([C@H]2CC[N@H+](C)C2)cs1 259353811 573173091 /nfs/dbraw/zinc/17/30/91/573173091.db2.gz RQZCGDZNWBOKOM-QMMMGPOBSA-N 1 1 182.292 1.871 10 0 ADAEMO Cc1ccc(O)cc1[C@H]1COCC[NH2+]1 104677378 573173118 /nfs/dbraw/zinc/17/31/18/573173118.db2.gz MMLPSFBLHHPCMK-LLVKDONJSA-N 1 1 193.246 1.362 10 0 ADAEMO C[N@H+]1CC[C@@H](C(=O)C(F)(F)F)C1 238304447 573173123 /nfs/dbraw/zinc/17/31/23/573173123.db2.gz SYLVHNIZVDOUII-RXMQYKEDSA-N 1 1 181.157 1.070 10 0 ADAEMO CCc1cccnc1[C@@H]1COCC[NH2+]1 104675516 573173207 /nfs/dbraw/zinc/17/32/07/573173207.db2.gz JTMMBMNPGLEHBP-JTQLQIEISA-N 1 1 192.262 1.305 10 0 ADAEMO Cc1nc(C[C@@H](C)[NH3+])[nH]c1CC(C)C 258566227 573173303 /nfs/dbraw/zinc/17/33/03/573173303.db2.gz MRWLAYXFJLZNEK-MRVPVSSYSA-N 1 1 195.310 1.806 10 0 ADAEMO CC[C@@H](F)C[N@H+]1CCC[C@@H]1CCO 308290504 573173802 /nfs/dbraw/zinc/17/38/02/573173802.db2.gz GUOCIUDOSCHUPP-NXEZZACHSA-N 1 1 189.274 1.581 10 0 ADAEMO CC[C@@H](C(=O)OC)[C@@H]1CC[N@@H+](C)C1 259355320 573173398 /nfs/dbraw/zinc/17/33/98/573173398.db2.gz UCRRYDMORDGIRF-RKDXNWHRSA-N 1 1 185.267 1.137 10 0 ADAEMO CC[C@H](F)C[N@H+]1CCC[C@@H]1CCO 308290506 573173405 /nfs/dbraw/zinc/17/34/05/573173405.db2.gz GUOCIUDOSCHUPP-VHSXEESVSA-N 1 1 189.274 1.581 10 0 ADAEMO C[N@H+]1CCC[C@](O)(c2cnsc2)C1 404926037 573173411 /nfs/dbraw/zinc/17/34/11/573173411.db2.gz JUAFPXHQQICMML-SECBINFHSA-N 1 1 198.291 1.056 10 0 ADAEMO Cc1nc([C@@H](C)C[NH3+])[nH]c1C(C)C 258566289 573173758 /nfs/dbraw/zinc/17/37/58/573173758.db2.gz MUQQEIRDDMUXEU-ZETCQYMHSA-N 1 1 181.283 1.904 10 0 ADAEMO Cc1nc(C[C@H](C)[NH3+])[nH]c1CC(C)C 258566229 573173849 /nfs/dbraw/zinc/17/38/49/573173849.db2.gz MRWLAYXFJLZNEK-QMMMGPOBSA-N 1 1 195.310 1.806 10 0 ADAEMO C[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C(N)=O 238304534 573173895 /nfs/dbraw/zinc/17/38/95/573173895.db2.gz HVPQVVDKEKUEHM-RKDXNWHRSA-N 1 1 198.310 1.228 10 0 ADAEMO CC(C)[N@H+]1CC[C@H]([C@]2(C)NCCO2)C1 258568206 573173914 /nfs/dbraw/zinc/17/39/14/573173914.db2.gz PGSNXWJIFFGLIR-WDEREUQCSA-N 1 1 198.310 1.053 10 0 ADAEMO CC[C@H](F)C[N@H+]1CCC[C@H]1CCO 308290505 573174020 /nfs/dbraw/zinc/17/40/20/573174020.db2.gz GUOCIUDOSCHUPP-UWVGGRQHSA-N 1 1 189.274 1.581 10 0 ADAEMO CC(C)[C@@H](C)[C@H](CN)[N@@H+](C)CC1CC1 308508108 573174054 /nfs/dbraw/zinc/17/40/54/573174054.db2.gz HDLDXDRJSUVAEJ-PWSUYJOCSA-N 1 1 198.354 1.948 10 0 ADAEMO COc1ccc(C)c([C@H]([NH3+])C(C)=O)c1 104677355 573174055 /nfs/dbraw/zinc/17/40/55/573174055.db2.gz DABYNLVUFLKTDQ-LLVKDONJSA-N 1 1 193.246 1.592 10 0 ADAEMO CC[C@](C)([C@@H](C)[NH3+])N1CC(C)C1 642859534 573174064 /nfs/dbraw/zinc/17/40/64/573174064.db2.gz LFLBUPDYVAGPBJ-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@](C)([C@@H](C)N)[NH+]1CC(C)C1 642859534 573174067 /nfs/dbraw/zinc/17/40/67/573174067.db2.gz LFLBUPDYVAGPBJ-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO C/C=C/C[N@H+](C)C[C@H](O)C(F)(F)F 308290990 573174137 /nfs/dbraw/zinc/17/41/37/573174137.db2.gz GZUVUGXZNVVVCY-SDLBARTOSA-N 1 1 197.200 1.418 10 0 ADAEMO C/C=C/C[N@@H+](C)C[C@H](O)C(F)(F)F 308290990 573174144 /nfs/dbraw/zinc/17/41/44/573174144.db2.gz GZUVUGXZNVVVCY-SDLBARTOSA-N 1 1 197.200 1.418 10 0 ADAEMO COCCC[N@@H+](C)C1CCC(=O)CC1 85871805 573174454 /nfs/dbraw/zinc/17/44/54/573174454.db2.gz MOXPZVWFLYOUPJ-UHFFFAOYSA-N 1 1 199.294 1.466 10 0 ADAEMO CCc1cc(O)ccc1[C@H]([NH3+])C(C)=O 104678718 573174494 /nfs/dbraw/zinc/17/44/94/573174494.db2.gz HXNRGOPBWVJJQO-LLVKDONJSA-N 1 1 193.246 1.543 10 0 ADAEMO CCC[C@]([NH2+]C)(C(=O)OCC)C1CC1 308508207 573174516 /nfs/dbraw/zinc/17/45/16/573174516.db2.gz AUHJMDSPOJUPAW-LLVKDONJSA-N 1 1 199.294 1.718 10 0 ADAEMO CC(=O)C[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1C 238304375 573174519 /nfs/dbraw/zinc/17/45/19/573174519.db2.gz XBYYJFRKLMJCLD-KXUCPTDWSA-N 1 1 167.252 1.448 10 0 ADAEMO CC[C@@H](C(=O)OC)[C@H]1CC[N@@H+](C)C1 259355315 573174528 /nfs/dbraw/zinc/17/45/28/573174528.db2.gz UCRRYDMORDGIRF-DTWKUNHWSA-N 1 1 185.267 1.137 10 0 ADAEMO CCc1ccc(O)cc1[C@@H]([NH3+])C(C)=O 104678729 573174617 /nfs/dbraw/zinc/17/46/17/573174617.db2.gz KRVIXBIPEBIIHJ-NSHDSACASA-N 1 1 193.246 1.543 10 0 ADAEMO Cc1ccc(C[NH3+])c2n[nH]c(C)c12 259352836 573174726 /nfs/dbraw/zinc/17/47/26/573174726.db2.gz IAYYEOJROIFTOX-UHFFFAOYSA-N 1 1 175.235 1.638 10 0 ADAEMO CCc1ccncc1[C@@H]1COCC[NH2+]1 104676275 573174747 /nfs/dbraw/zinc/17/47/47/573174747.db2.gz RMMSZBPTZBGLGO-NSHDSACASA-N 1 1 192.262 1.305 10 0 ADAEMO CC(C)[N@@H+](C)C1CCC(=O)CC1 85871850 573174750 /nfs/dbraw/zinc/17/47/50/573174750.db2.gz XOZBOYAIRAQNFK-UHFFFAOYSA-N 1 1 169.268 1.838 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc2c(c1)OCO2 104678082 573174774 /nfs/dbraw/zinc/17/47/74/573174774.db2.gz BDJKDVMEXCHGBC-SNVBAGLBSA-N 1 1 193.202 1.004 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1cc(C)c(O)c(C)c1 104678121 573174791 /nfs/dbraw/zinc/17/47/91/573174791.db2.gz YKYBLUKSOKWEIU-SNVBAGLBSA-N 1 1 193.246 1.598 10 0 ADAEMO CC(C)[N@H+]1CC[C@H]([C@@]2(C)NCCO2)C1 258568203 573174812 /nfs/dbraw/zinc/17/48/12/573174812.db2.gz PGSNXWJIFFGLIR-QWRGUYRKSA-N 1 1 198.310 1.053 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc2c(c1)CCCN2 104676166 573174870 /nfs/dbraw/zinc/17/48/70/573174870.db2.gz XJMBZFIZXYXELC-SNVBAGLBSA-N 1 1 191.278 1.003 10 0 ADAEMO CCC[N@@H+](C)C1CCC(=O)CC1 85871816 573174948 /nfs/dbraw/zinc/17/49/48/573174948.db2.gz XOJQBYVYNOLIPK-UHFFFAOYSA-N 1 1 169.268 1.840 10 0 ADAEMO Cc1[nH]c(C2(CO)CCC2)[nH+]c1C 258566109 573174979 /nfs/dbraw/zinc/17/49/79/573174979.db2.gz MOCGWUCBYIHTAE-UHFFFAOYSA-N 1 1 180.251 1.441 10 0 ADAEMO CC(C)C[C@H](N(C)C)C1([NH3+])CC1 221237672 573175082 /nfs/dbraw/zinc/17/50/82/573175082.db2.gz QOQHPAOTZYZNBD-VIFPVBQESA-N 1 1 170.300 1.454 10 0 ADAEMO CCc1c(O)cccc1[C@@H]([NH3+])C(C)=O 104678119 573175151 /nfs/dbraw/zinc/17/51/51/573175151.db2.gz QLEMOYQYTIYMAD-NSHDSACASA-N 1 1 193.246 1.543 10 0 ADAEMO CCc1c(O)cccc1[C@H]([NH3+])C(C)=O 104678117 573175233 /nfs/dbraw/zinc/17/52/33/573175233.db2.gz QLEMOYQYTIYMAD-LLVKDONJSA-N 1 1 193.246 1.543 10 0 ADAEMO COc1ccc(C)c([C@@H]([NH3+])C(C)=O)c1 104677360 573175408 /nfs/dbraw/zinc/17/54/08/573175408.db2.gz DABYNLVUFLKTDQ-NSHDSACASA-N 1 1 193.246 1.592 10 0 ADAEMO CCCc1cc(C2([NH3+])CC2)n[nH]1 258565595 573175483 /nfs/dbraw/zinc/17/54/83/573175483.db2.gz REDONTIOMYYGAW-UHFFFAOYSA-N 1 1 165.240 1.310 10 0 ADAEMO CC[N@@H+](C)C1CCC2(CC1)OCCO2 85871577 573175540 /nfs/dbraw/zinc/17/55/40/573175540.db2.gz LTGYYNXXAAQCOE-UHFFFAOYSA-N 1 1 199.294 1.624 10 0 ADAEMO C1CCN2CC[C@@H]3[NH2+]CC[C@@H]3[C@H]2C1 257744634 573175590 /nfs/dbraw/zinc/17/55/90/573175590.db2.gz SNONRAJICIMAMT-GARJFASQSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CCN2CC[C@@H]3[NH2+]CC[C@H]3[C@@H]2C1 257744638 573175730 /nfs/dbraw/zinc/17/57/30/573175730.db2.gz SNONRAJICIMAMT-VWYCJHECSA-N 1 1 180.295 1.223 10 0 ADAEMO C[N@@H+](CC(C)(C)O)C1CCC(=O)CC1 85871914 573175804 /nfs/dbraw/zinc/17/58/04/573175804.db2.gz BPHNZENISAXFAM-UHFFFAOYSA-N 1 1 199.294 1.201 10 0 ADAEMO C[N@@H+](CC1CC1)C1CCC(=O)CC1 85871754 573175864 /nfs/dbraw/zinc/17/58/64/573175864.db2.gz WIERAUMWRQUYMY-UHFFFAOYSA-N 1 1 181.279 1.840 10 0 ADAEMO CC[C@]1(C)CCC[N@H+]1CCO 238303858 573176067 /nfs/dbraw/zinc/17/60/67/573176067.db2.gz CHGNNRXHQHCXBF-SECBINFHSA-N 1 1 157.257 1.243 10 0 ADAEMO Cc1cccc([C@H]2COCC[NH2+]2)c1N 104680049 573176154 /nfs/dbraw/zinc/17/61/54/573176154.db2.gz NYMSTLKSEBFQPT-SNVBAGLBSA-N 1 1 192.262 1.238 10 0 ADAEMO Cc1c(O)cccc1[C@@H]1COCC[NH2+]1 104682182 573176178 /nfs/dbraw/zinc/17/61/78/573176178.db2.gz IWENHVXKCFOXBQ-JTQLQIEISA-N 1 1 193.246 1.362 10 0 ADAEMO CCC[C@H]1C[N@@H+](C2CC(C)C2)CCN1 123772895 573176207 /nfs/dbraw/zinc/17/62/07/573176207.db2.gz VNEJXZMDOHGDEX-CXQJBGSLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)C[C@@H](N(C)C)C1([NH3+])CC1 221237732 573176213 /nfs/dbraw/zinc/17/62/13/573176213.db2.gz QOQHPAOTZYZNBD-SECBINFHSA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[C@H]1C[N@H+](C2CC(C)C2)CCN1 123772895 573176214 /nfs/dbraw/zinc/17/62/14/573176214.db2.gz VNEJXZMDOHGDEX-CXQJBGSLSA-N 1 1 196.338 1.859 10 0 ADAEMO CCc1ccncc1[C@H]1COCC[NH2+]1 104680058 573176229 /nfs/dbraw/zinc/17/62/29/573176229.db2.gz RMMSZBPTZBGLGO-LLVKDONJSA-N 1 1 192.262 1.305 10 0 ADAEMO CC[C@@](C)([C@H](C)[NH3+])N1CC(C)C1 642859535 573176283 /nfs/dbraw/zinc/17/62/83/573176283.db2.gz LFLBUPDYVAGPBJ-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@@](C)([C@H](C)N)[NH+]1CC(C)C1 642859535 573176285 /nfs/dbraw/zinc/17/62/85/573176285.db2.gz LFLBUPDYVAGPBJ-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[N@H+](C1CCC(=O)CC1)[C@H]1CCOC1 85871809 573176338 /nfs/dbraw/zinc/17/63/38/573176338.db2.gz VORXXIDWAHZUNQ-JTQLQIEISA-N 1 1 197.278 1.219 10 0 ADAEMO CC[N@@H+](CCN)C(C1CC1)C1CC1 393555211 573176395 /nfs/dbraw/zinc/17/63/95/573176395.db2.gz LLELAFHIPOMZMZ-UHFFFAOYSA-N 1 1 182.311 1.456 10 0 ADAEMO CC[C@H](C(=O)OC)[C@H]1CC[N@@H+](C)C1 259355317 573177314 /nfs/dbraw/zinc/17/73/14/573177314.db2.gz UCRRYDMORDGIRF-IUCAKERBSA-N 1 1 185.267 1.137 10 0 ADAEMO Cc1cccc([C@@H]2COCC[NH2+]2)c1N 104680046 573176495 /nfs/dbraw/zinc/17/64/95/573176495.db2.gz NYMSTLKSEBFQPT-JTQLQIEISA-N 1 1 192.262 1.238 10 0 ADAEMO C/C=C/C=C\C[N@@H+](C)CC[C@@H](C)O 308293836 573176559 /nfs/dbraw/zinc/17/65/59/573176559.db2.gz JBCPSCAXADBEFN-ZUPNXBPGSA-N 1 1 183.295 1.821 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1c(C)cc(O)cc1C 104679421 573176562 /nfs/dbraw/zinc/17/65/62/573176562.db2.gz WPZNLZHADBWKKU-NSHDSACASA-N 1 1 193.246 1.598 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]CC(F)(F)CO 308292630 573176598 /nfs/dbraw/zinc/17/65/98/573176598.db2.gz MRBWUWFJVWGBQX-QMMMGPOBSA-N 1 1 195.253 1.496 10 0 ADAEMO CC(=O)C[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1C 238304367 573176624 /nfs/dbraw/zinc/17/66/24/573176624.db2.gz XBYYJFRKLMJCLD-UTLUCORTSA-N 1 1 167.252 1.448 10 0 ADAEMO CC[C@H]1CC[C@]2(C)NCC[N@@H+]2C1 238306501 573176778 /nfs/dbraw/zinc/17/67/78/573176778.db2.gz MAXHIBHPTGALFG-VHSXEESVSA-N 1 1 168.284 1.428 10 0 ADAEMO CC[C@H]1CC[C@]2(C)NCC[N@H+]2C1 238306501 573176782 /nfs/dbraw/zinc/17/67/82/573176782.db2.gz MAXHIBHPTGALFG-VHSXEESVSA-N 1 1 168.284 1.428 10 0 ADAEMO CCC(=O)CC[N@H+](CC)C[C@H](C)O 308294209 573176842 /nfs/dbraw/zinc/17/68/42/573176842.db2.gz JBWNBOOWOSJBOV-VIFPVBQESA-N 1 1 187.283 1.058 10 0 ADAEMO C/C=C/C=C/C[N@@H+](C)CC[C@H](C)O 308293835 573177258 /nfs/dbraw/zinc/17/72/58/573177258.db2.gz JBCPSCAXADBEFN-YMMJRAIESA-N 1 1 183.295 1.821 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1c(C)cc(O)cc1C 104679420 573177217 /nfs/dbraw/zinc/17/72/17/573177217.db2.gz WPZNLZHADBWKKU-LLVKDONJSA-N 1 1 193.246 1.598 10 0 ADAEMO CN(C)CC[C@]1(C)CCCC[NH2+]1 257959990 573177235 /nfs/dbraw/zinc/17/72/35/573177235.db2.gz GUIQIZWTXCDGRR-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]Cc1ncon1 308292821 573177463 /nfs/dbraw/zinc/17/74/63/573177463.db2.gz NHCGYSVKTREXSE-MRVPVSSYSA-N 1 1 183.255 1.451 10 0 ADAEMO CC[NH2+][C@@H](C)c1c[nH]c(COCC)n1 308510206 573177548 /nfs/dbraw/zinc/17/75/48/573177548.db2.gz BSEXUBNFKDEVDP-QMMMGPOBSA-N 1 1 197.282 1.617 10 0 ADAEMO Cc1nc([C@@H]2CC[N@H+](C)C2)cs1 259353801 573177630 /nfs/dbraw/zinc/17/76/30/573177630.db2.gz RQZCGDZNWBOKOM-MRVPVSSYSA-N 1 1 182.292 1.871 10 0 ADAEMO N[C@@H](C[NH2+]CCCC1CC1)CC1CC1 308509593 573177694 /nfs/dbraw/zinc/17/76/94/573177694.db2.gz BIPIEJPVJOXXLZ-GFCCVEGCSA-N 1 1 196.338 1.894 10 0 ADAEMO Cc1ccc(N(C)C)cc1[C@@H]([NH3+])CN 104682225 573177705 /nfs/dbraw/zinc/17/77/05/573177705.db2.gz LTTWRMDXSGSHGU-NSHDSACASA-N 1 1 193.294 1.020 10 0 ADAEMO Cc1ccc([C@@H]2COCC[NH2+]2)c(N)c1 104680051 573177725 /nfs/dbraw/zinc/17/77/25/573177725.db2.gz FRIMOZMTGAYZCX-NSHDSACASA-N 1 1 192.262 1.238 10 0 ADAEMO C[NH2+][C@H]1CCc2n[nH]c(C(C)C)c21 107297612 573178067 /nfs/dbraw/zinc/17/80/67/573178067.db2.gz MADHOYLPSIYVKU-ZETCQYMHSA-N 1 1 179.267 1.740 10 0 ADAEMO CCc1n[nH]c2c1[C@H]([NH3+])CC(C)(C)C2 107298756 573178113 /nfs/dbraw/zinc/17/81/13/573178113.db2.gz OZSLVZXWIGAJDM-SSDOTTSWSA-N 1 1 193.294 1.944 10 0 ADAEMO Cc1ccc([C@H]2COCC[NH2+]2)c(N)c1 104680052 573178241 /nfs/dbraw/zinc/17/82/41/573178241.db2.gz FRIMOZMTGAYZCX-LLVKDONJSA-N 1 1 192.262 1.238 10 0 ADAEMO C[NH2+]C[C@H](C)[NH2+]CC[C@H]1C=CCC1 128978762 573178278 /nfs/dbraw/zinc/17/82/78/573178278.db2.gz DCHZCSJQRRWUFV-QWRGUYRKSA-N 1 1 182.311 1.540 10 0 ADAEMO C1CCN2CC[C@@H]3[NH2+]CC[C@H]3[C@H]2C1 257744636 573178348 /nfs/dbraw/zinc/17/83/48/573178348.db2.gz SNONRAJICIMAMT-OUAUKWLOSA-N 1 1 180.295 1.223 10 0 ADAEMO COc1ccc(C)cc1[C@H](N)CC[NH3+] 259356845 573178403 /nfs/dbraw/zinc/17/84/03/573178403.db2.gz MFQRRURMVMTYJU-SNVBAGLBSA-N 1 1 194.278 1.352 10 0 ADAEMO CN(C)CC[C@@]1(C)CCCC[NH2+]1 257959992 573178435 /nfs/dbraw/zinc/17/84/35/573178435.db2.gz GUIQIZWTXCDGRR-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO COc1ccc(C)cc1[C@@H](N)CC[NH3+] 259356840 573178469 /nfs/dbraw/zinc/17/84/69/573178469.db2.gz MFQRRURMVMTYJU-JTQLQIEISA-N 1 1 194.278 1.352 10 0 ADAEMO CCC(=O)CC[N@H+](CC)C[C@@H](C)O 308294204 573178483 /nfs/dbraw/zinc/17/84/83/573178483.db2.gz JBWNBOOWOSJBOV-SECBINFHSA-N 1 1 187.283 1.058 10 0 ADAEMO Nc1cn[nH+]c([C@H]2CCSC2)c1 259356898 573178486 /nfs/dbraw/zinc/17/84/86/573178486.db2.gz FQSSAXQTKZOSGZ-LURJTMIESA-N 1 1 181.264 1.279 10 0 ADAEMO CC1CC([N@H+]2C[C@@H](C)NC[C@@H]2C)C1 123780463 573178786 /nfs/dbraw/zinc/17/87/86/573178786.db2.gz AQUMWBNEOWPZIW-WIFZPCQCSA-N 1 1 182.311 1.467 10 0 ADAEMO CC1CC(N2C[C@@H](C)[NH2+]C[C@@H]2C)C1 123780463 573178788 /nfs/dbraw/zinc/17/87/88/573178788.db2.gz AQUMWBNEOWPZIW-WIFZPCQCSA-N 1 1 182.311 1.467 10 0 ADAEMO Cc1ccc(O)cc1[C@@H]1COCC[NH2+]1 104681555 573179083 /nfs/dbraw/zinc/17/90/83/573179083.db2.gz MMLPSFBLHHPCMK-NSHDSACASA-N 1 1 193.246 1.362 10 0 ADAEMO CCOc1[nH+]c(N)cc(N)c1Cl 115334486 573179087 /nfs/dbraw/zinc/17/90/87/573179087.db2.gz DIFMQEXFKWAWAE-UHFFFAOYSA-N 1 1 187.630 1.298 10 0 ADAEMO CN[C@H]1C[N@H+](CC(C)C)C(C)(C)C1 259356776 573179194 /nfs/dbraw/zinc/17/91/94/573179194.db2.gz KAAXHQXOKMSWTE-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO CN[C@H]1C[N@@H+](CC(C)C)C(C)(C)C1 259356776 573179196 /nfs/dbraw/zinc/17/91/96/573179196.db2.gz KAAXHQXOKMSWTE-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)c1[nH]nc2c1[C@H](CC[NH3+])CC2 107297623 573179310 /nfs/dbraw/zinc/17/93/10/573179310.db2.gz MTMQEHRUOFNEDL-QMMMGPOBSA-N 1 1 193.294 1.912 10 0 ADAEMO CC[NH2+][C@H](C)c1c[nH]c(COCC)n1 308510204 573179583 /nfs/dbraw/zinc/17/95/83/573179583.db2.gz BSEXUBNFKDEVDP-MRVPVSSYSA-N 1 1 197.282 1.617 10 0 ADAEMO CC(=O)OCC[N@@H+]1CCC[C@H](C)C1 308292703 573179693 /nfs/dbraw/zinc/17/96/93/573179693.db2.gz IEOFDVPMIDOEAS-VIFPVBQESA-N 1 1 185.267 1.281 10 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/nfs/dbraw/zinc/18/01/66/573180166.db2.gz UGLCBIYHUIGIAJ-SECBINFHSA-N 1 1 169.268 1.101 10 0 ADAEMO CCc1cccnc1[C@H]1COCC[NH2+]1 104680054 573180357 /nfs/dbraw/zinc/18/03/57/573180357.db2.gz JTMMBMNPGLEHBP-SNVBAGLBSA-N 1 1 192.262 1.305 10 0 ADAEMO CC[C@H](O)C1=CCC[N@@H+](C)C1 238305404 573180382 /nfs/dbraw/zinc/18/03/82/573180382.db2.gz OMJQLLMIQWGZQG-VIFPVBQESA-N 1 1 155.241 1.019 10 0 ADAEMO C[C@@H]1CC[C@H]2C[NH2+]CC[C@H]2N1C 251587503 573180524 /nfs/dbraw/zinc/18/05/24/573180524.db2.gz CEUNHBLRICLKKZ-KXUCPTDWSA-N 1 1 168.284 1.079 10 0 ADAEMO F[C@]1(CNC2CCCC2)CC[NH2+]C1 257962308 573180883 /nfs/dbraw/zinc/18/08/83/573180883.db2.gz XPKWAHWFFNPZQZ-SNVBAGLBSA-N 1 1 186.274 1.220 10 0 ADAEMO CC(C)=CC[C@H](N)C[NH2+][C@@H]1CC12CC2 715586162 573180576 /nfs/dbraw/zinc/18/05/76/573180576.db2.gz WXMIEXWPVGUODJ-WDEREUQCSA-N 1 1 194.322 1.812 10 0 ADAEMO CC[C@H](O)C[N@@H+](C)C1CCC(=O)CC1 85872177 573180676 /nfs/dbraw/zinc/18/06/76/573180676.db2.gz GIQIQMFEWAERCA-JTQLQIEISA-N 1 1 199.294 1.201 10 0 ADAEMO CCNC[C@H](C)[NH2+]CC[C@@H]1C=CCC1 128981191 573180707 /nfs/dbraw/zinc/18/07/07/573180707.db2.gz YSBFYWGZUWLTCK-NWDGAFQWSA-N 1 1 196.338 1.930 10 0 ADAEMO CC[NH2+]C[C@H](C)NCC[C@@H]1C=CCC1 128981191 573180713 /nfs/dbraw/zinc/18/07/13/573180713.db2.gz YSBFYWGZUWLTCK-NWDGAFQWSA-N 1 1 196.338 1.930 10 0 ADAEMO O=C1C[NH2+]C[C@@H](c2ccccc2)C1 257962147 573180746 /nfs/dbraw/zinc/18/07/46/573180746.db2.gz XMJJMXOIHZXOQY-JTQLQIEISA-N 1 1 175.231 1.333 10 0 ADAEMO C[C@H]1CCC[N@@H+](CCC(C)(C)[NH3+])C1 82772827 573180791 /nfs/dbraw/zinc/18/07/91/573180791.db2.gz SPPUNFSLTYHXMP-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@@H](F)CC[N@@H+](C)C1(CO)CCC1 308294943 573180898 /nfs/dbraw/zinc/18/08/98/573180898.db2.gz SPEDWLNYQXQVSA-SECBINFHSA-N 1 1 189.274 1.581 10 0 ADAEMO C[N@H+]1CCC[C@@H]1/C=C\CCO 258238095 573180913 /nfs/dbraw/zinc/18/09/13/573180913.db2.gz PTJVHLYFRSPYJN-ANTNXHBISA-N 1 1 155.241 1.019 10 0 ADAEMO CC[C@H](C)C(=O)OCc1cnc[nH]1 308295324 573181246 /nfs/dbraw/zinc/18/12/46/573181246.db2.gz JTCKKSGJQLXKNA-ZETCQYMHSA-N 1 1 182.223 1.499 10 0 ADAEMO CC[C@H]1CCC[C@@H]2CNCC[N@@H+]12 238305075 573181303 /nfs/dbraw/zinc/18/13/03/573181303.db2.gz RXDHBCJOBZHZHA-VHSXEESVSA-N 1 1 168.284 1.223 10 0 ADAEMO CCOCC[C@@H](O)C[N@@H+](C)C(C)C 308294429 573181307 /nfs/dbraw/zinc/18/13/07/573181307.db2.gz HFBYJHVVDLVWAO-SNVBAGLBSA-N 1 1 189.299 1.114 10 0 ADAEMO CC[C@H]1CCC[C@@H]2C[NH2+]CCN12 238305075 573181309 /nfs/dbraw/zinc/18/13/09/573181309.db2.gz RXDHBCJOBZHZHA-VHSXEESVSA-N 1 1 168.284 1.223 10 0 ADAEMO CCc1c(OC)ccc2[nH+]c(N)[nH]c12 238305532 573181396 /nfs/dbraw/zinc/18/13/96/573181396.db2.gz OUNDVHMSCBPQDC-UHFFFAOYSA-N 1 1 191.234 1.716 10 0 ADAEMO C[C@@H]1CC[C@@H]2C[NH2+]CC[C@H]2N1C 251587514 573181409 /nfs/dbraw/zinc/18/14/09/573181409.db2.gz CEUNHBLRICLKKZ-OPRDCNLKSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[C@@]1(C)C(=O)CCC[N@H+]1C 238305885 573181548 /nfs/dbraw/zinc/18/15/48/573181548.db2.gz MPQHVTHOCWOMFY-VIFPVBQESA-N 1 1 155.241 1.450 10 0 ADAEMO CC[C@@]1(C)C(=O)CCC[N@@H+]1C 238305885 573181553 /nfs/dbraw/zinc/18/15/53/573181553.db2.gz MPQHVTHOCWOMFY-VIFPVBQESA-N 1 1 155.241 1.450 10 0 ADAEMO C[C@H]([NH3+])c1ncc(-c2cncn2C)o1 235510872 573181584 /nfs/dbraw/zinc/18/15/84/573181584.db2.gz IXLQWQGRTSNNJH-LURJTMIESA-N 1 1 192.222 1.095 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCC[C@H]1CC(N)=O 308294637 573181641 /nfs/dbraw/zinc/18/16/41/573181641.db2.gz JIHIYGATAAJYSH-BDAKNGLRSA-N 1 1 184.283 1.125 10 0 ADAEMO C[C@H](F)CC[N@@H+](C)C1(CO)CCC1 308294944 573181715 /nfs/dbraw/zinc/18/17/15/573181715.db2.gz SPEDWLNYQXQVSA-VIFPVBQESA-N 1 1 189.274 1.581 10 0 ADAEMO Cc1cnc(N)c(C[C@H](C)C[NH3+])c1 82763145 573181794 /nfs/dbraw/zinc/18/17/94/573181794.db2.gz YXXGRAGJVQTHQM-ZETCQYMHSA-N 1 1 179.267 1.110 10 0 ADAEMO CC(C)([NH3+])CCN1CCSCC1 82772862 573181807 /nfs/dbraw/zinc/18/18/07/573181807.db2.gz JNIXTYBZFPMMBY-UHFFFAOYSA-N 1 1 188.340 1.163 10 0 ADAEMO CC[C@@H](C)C(=O)OCc1cnc[nH]1 308295323 573181833 /nfs/dbraw/zinc/18/18/33/573181833.db2.gz JTCKKSGJQLXKNA-SSDOTTSWSA-N 1 1 182.223 1.499 10 0 ADAEMO C[N@H+]1CCC[C@H]2CCC(C)(C)N[C@@H]21 238305649 573181854 /nfs/dbraw/zinc/18/18/54/573181854.db2.gz NOXCQSOJQKDCMJ-VHSXEESVSA-N 1 1 182.311 1.816 10 0 ADAEMO CC[C@H](O)C1=CC[N@@H+](C)CC1 238305429 573181971 /nfs/dbraw/zinc/18/19/71/573181971.db2.gz CHBCGWQODZCGSN-VIFPVBQESA-N 1 1 155.241 1.019 10 0 ADAEMO C[N@H+]1CCC[C@H](C2(CO)CC2)C1 259357849 573182012 /nfs/dbraw/zinc/18/20/12/573182012.db2.gz UGLCBIYHUIGIAJ-VIFPVBQESA-N 1 1 169.268 1.101 10 0 ADAEMO CC(C)[C@@H](C)C[NH2+]N1CCOCC1 308295911 573182019 /nfs/dbraw/zinc/18/20/19/573182019.db2.gz UZHVRWFTINMYNL-JTQLQIEISA-N 1 1 186.299 1.115 10 0 ADAEMO C/C=C\C[N@@H+](C)C1CCN(C)CC1 308296318 573182050 /nfs/dbraw/zinc/18/20/50/573182050.db2.gz KBTHSGTZSBOZCO-PLNGDYQASA-N 1 1 182.311 1.589 10 0 ADAEMO CC[C@@H]1C[N@@H+](C2CC(C)C2)[C@H](C)CN1 123780772 573182847 /nfs/dbraw/zinc/18/28/47/573182847.db2.gz BIYGCVODUMNTDB-BFUDSRACSA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@H]1CCC[C@H]2CNCC[N@@H+]12 238305898 573182095 /nfs/dbraw/zinc/18/20/95/573182095.db2.gz RXDHBCJOBZHZHA-UWVGGRQHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@H]1CCC[C@H]2C[NH2+]CCN12 238305898 573182099 /nfs/dbraw/zinc/18/20/99/573182099.db2.gz RXDHBCJOBZHZHA-UWVGGRQHSA-N 1 1 168.284 1.223 10 0 ADAEMO C/C=C\CN(C)Cc1n[nH]c(C)n1 308294679 573182110 /nfs/dbraw/zinc/18/21/10/573182110.db2.gz JKLMQUQVZACFDB-PLNGDYQASA-N 1 1 180.255 1.121 10 0 ADAEMO CC(C)[N@H+]1C[C@@H](N)CC1(C)C 259356795 573182135 /nfs/dbraw/zinc/18/21/35/573182135.db2.gz KABDORNRPPBMGI-QMMMGPOBSA-N 1 1 156.273 1.206 10 0 ADAEMO Nc1cn[nH+]c(C[C@@H]2CCCS2)c1 259358907 573182203 /nfs/dbraw/zinc/18/22/03/573182203.db2.gz GTTLKUOZOQWUSJ-VIFPVBQESA-N 1 1 195.291 1.497 10 0 ADAEMO CCc1nnc(CC2([NH3+])CCCC2)[nH]1 82770850 573182225 /nfs/dbraw/zinc/18/22/25/573182225.db2.gz KDWWIQCDDGWMGN-UHFFFAOYSA-N 1 1 194.282 1.181 10 0 ADAEMO CCc1nc(CC2([NH3+])CCCC2)n[nH]1 82770850 573182229 /nfs/dbraw/zinc/18/22/29/573182229.db2.gz KDWWIQCDDGWMGN-UHFFFAOYSA-N 1 1 194.282 1.181 10 0 ADAEMO C[N@H+]1CCC[C@H]1/C=C\CCO 258238097 573182275 /nfs/dbraw/zinc/18/22/75/573182275.db2.gz PTJVHLYFRSPYJN-JHYPKJRRSA-N 1 1 155.241 1.019 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1CCC(C)(C)[NH3+] 82772812 573182303 /nfs/dbraw/zinc/18/23/03/573182303.db2.gz DMQCZLHKHYFEMR-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO CC(C)=CC[C@@H](N)C[NH2+][C@H]1CC12CC2 715586158 573182650 /nfs/dbraw/zinc/18/26/50/573182650.db2.gz WXMIEXWPVGUODJ-MNOVXSKESA-N 1 1 194.322 1.812 10 0 ADAEMO Nc1cn[nH+]c([C@@H]2CCSC2)c1 259356901 573182354 /nfs/dbraw/zinc/18/23/54/573182354.db2.gz FQSSAXQTKZOSGZ-ZCFIWIBFSA-N 1 1 181.264 1.279 10 0 ADAEMO CC[C@@H]1CN(C2CC(C)C2)[C@H](C)C[NH2+]1 123780772 573182854 /nfs/dbraw/zinc/18/28/54/573182854.db2.gz BIYGCVODUMNTDB-BFUDSRACSA-N 1 1 196.338 1.857 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H]2CCC[C@@H](O)C2)C1 238305223 573182582 /nfs/dbraw/zinc/18/25/82/573182582.db2.gz YXFRYCUINNSJAC-GRYCIOLGSA-N 1 1 197.322 1.879 10 0 ADAEMO CCc1nc([C@@H]2CC[NH2+]C2)c(C)[nH]1 257960792 573182663 /nfs/dbraw/zinc/18/26/63/573182663.db2.gz XHTFESBPZZLONQ-MRVPVSSYSA-N 1 1 179.267 1.357 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(N[C@H]2CC23CC3)o1 715592291 573185901 /nfs/dbraw/zinc/18/59/01/573185901.db2.gz OMRVMVDTNWJKHI-RITPCOANSA-N 1 1 194.238 1.054 10 0 ADAEMO CN[C@@H]1C[N@H+](CC(C)C)C(C)(C)C1 259356772 573184895 /nfs/dbraw/zinc/18/48/95/573184895.db2.gz KAAXHQXOKMSWTE-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CCOCC[C@H](O)C[N@@H+](C)C(C)C 308294428 573184900 /nfs/dbraw/zinc/18/49/00/573184900.db2.gz HFBYJHVVDLVWAO-JTQLQIEISA-N 1 1 189.299 1.114 10 0 ADAEMO CN[C@@H]1C[N@@H+](CC(C)C)C(C)(C)C1 259356772 573184904 /nfs/dbraw/zinc/18/49/04/573184904.db2.gz KAAXHQXOKMSWTE-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO Cc1cnc(N)c(C[C@@H](C)C[NH3+])c1 82763144 573184926 /nfs/dbraw/zinc/18/49/26/573184926.db2.gz YXXGRAGJVQTHQM-SSDOTTSWSA-N 1 1 179.267 1.110 10 0 ADAEMO Nc1cn[nH+]c(C[C@H]2CCCS2)c1 259358904 573184943 /nfs/dbraw/zinc/18/49/43/573184943.db2.gz GTTLKUOZOQWUSJ-SECBINFHSA-N 1 1 195.291 1.497 10 0 ADAEMO CC(C)[N@H+]1C[C@H](N)CC1(C)C 259356791 573184989 /nfs/dbraw/zinc/18/49/89/573184989.db2.gz KABDORNRPPBMGI-MRVPVSSYSA-N 1 1 156.273 1.206 10 0 ADAEMO CC(C)=CC[C@@H](N)C[NH2+][C@@H]1CC12CC2 715586152 573185096 /nfs/dbraw/zinc/18/50/96/573185096.db2.gz WXMIEXWPVGUODJ-GHMZBOCLSA-N 1 1 194.322 1.812 10 0 ADAEMO CC1CC([N@H+]2CC(C)(C)NC[C@H]2C)C1 123798553 573185136 /nfs/dbraw/zinc/18/51/36/573185136.db2.gz ZEBHKTMGPLMFQU-HSOILSAZSA-N 1 1 196.338 1.857 10 0 ADAEMO CC1CC(N2CC(C)(C)[NH2+]C[C@H]2C)C1 123798553 573185141 /nfs/dbraw/zinc/18/51/41/573185141.db2.gz ZEBHKTMGPLMFQU-HSOILSAZSA-N 1 1 196.338 1.857 10 0 ADAEMO CCc1nc([C@H]2CC[NH2+]C2)c(C)[nH]1 257960796 573185202 /nfs/dbraw/zinc/18/52/02/573185202.db2.gz XHTFESBPZZLONQ-QMMMGPOBSA-N 1 1 179.267 1.357 10 0 ADAEMO Cc1nsnc1C[NH2+]C(C)C 74310371 573185378 /nfs/dbraw/zinc/18/53/78/573185378.db2.gz GDSWEKTUNLMICF-UHFFFAOYSA-N 1 1 171.269 1.345 10 0 ADAEMO C[C@H](O)C(C)(C)C[N@H+]1CC[C@H](F)C1 642861593 573185511 /nfs/dbraw/zinc/18/55/11/573185511.db2.gz VJXRXGYQKKUVRL-IUCAKERBSA-N 1 1 189.274 1.437 10 0 ADAEMO C[C@H]1CCCC[N@H+]1CCC(C)(C)[NH3+] 82772813 573185704 /nfs/dbraw/zinc/18/57/04/573185704.db2.gz DMQCZLHKHYFEMR-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CCc1c(F)ccc2[nH+]c(N)[nH]c12 238299879 573185862 /nfs/dbraw/zinc/18/58/62/573185862.db2.gz GRGSBSOPKIABQK-UHFFFAOYSA-N 1 1 179.198 1.847 10 0 ADAEMO CC(C)([NH3+])Cc1nc2cnccc2[nH]1 82770686 573185940 /nfs/dbraw/zinc/18/59/40/573185940.db2.gz ATSHMOHFDANJQA-UHFFFAOYSA-N 1 1 190.250 1.238 10 0 ADAEMO CC(C)([NH3+])Cc1nc2cc[nH]cc-2n1 82770686 573185947 /nfs/dbraw/zinc/18/59/47/573185947.db2.gz ATSHMOHFDANJQA-UHFFFAOYSA-N 1 1 190.250 1.238 10 0 ADAEMO CC[C@H](O)CC1=CC[N@@H+](C)CC1 238306322 573186096 /nfs/dbraw/zinc/18/60/96/573186096.db2.gz AIFCXWHADUJQAF-JTQLQIEISA-N 1 1 169.268 1.409 10 0 ADAEMO CC[C@@]1(C)NC(C)(C)C[C@H](C)[NH2+]1 238306692 573186161 /nfs/dbraw/zinc/18/61/61/573186161.db2.gz BSIOZQFDOHBIAR-WCBMZHEXSA-N 1 1 170.300 1.863 10 0 ADAEMO C[C@H]([NH3+])c1nnc(N2CCC[C@@H]2C)o1 235513473 573186266 /nfs/dbraw/zinc/18/62/66/573186266.db2.gz HFFRPVQFNXLNLM-BQBZGAKWSA-N 1 1 196.254 1.078 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)C1CC1 222658878 573186297 /nfs/dbraw/zinc/18/62/97/573186297.db2.gz CPSPHSBQSGMERN-WCABBAIRSA-N 1 1 183.295 1.488 10 0 ADAEMO Cc1ccc([C@H]2COCC[NH2+]2)cc1O 104683352 573186466 /nfs/dbraw/zinc/18/64/66/573186466.db2.gz FHLCBXHXWQWGDZ-SNVBAGLBSA-N 1 1 193.246 1.362 10 0 ADAEMO CC1(C)CC[N@H+](C(C)(C)C)C[C@@H]1N 259363212 573187133 /nfs/dbraw/zinc/18/71/33/573187133.db2.gz UPORPEXXDCVTHR-VIFPVBQESA-N 1 1 184.327 1.844 10 0 ADAEMO CC1(C)CCN(C(C)(C)C)C[C@@H]1[NH3+] 259363212 573187139 /nfs/dbraw/zinc/18/71/39/573187139.db2.gz UPORPEXXDCVTHR-VIFPVBQESA-N 1 1 184.327 1.844 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1cc(C)cc(C)c1N 104683262 573187168 /nfs/dbraw/zinc/18/71/68/573187168.db2.gz VCBNHAPODFDLIS-LLVKDONJSA-N 1 1 192.262 1.474 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)CCCCC(N)=O 308297374 573187245 /nfs/dbraw/zinc/18/72/45/573187245.db2.gz KNLWZWAQYMZFGS-SECBINFHSA-N 1 1 186.299 1.372 10 0 ADAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1C1CC(C)C1 123789434 573187384 /nfs/dbraw/zinc/18/73/84/573187384.db2.gz XMQMOUTYYGMILL-LVFLEHKBSA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@@H]1C[NH2+][C@@H](C)CN1C1CC(C)C1 123789434 573187392 /nfs/dbraw/zinc/18/73/92/573187392.db2.gz XMQMOUTYYGMILL-LVFLEHKBSA-N 1 1 196.338 1.857 10 0 ADAEMO Cc1ccc([C@@H]2COCC[NH2+]2)cc1O 104683348 573187406 /nfs/dbraw/zinc/18/74/06/573187406.db2.gz FHLCBXHXWQWGDZ-JTQLQIEISA-N 1 1 193.246 1.362 10 0 ADAEMO CC1(C)CC[N@H+](C(C)(C)C)C[C@H]1N 259363209 573187575 /nfs/dbraw/zinc/18/75/75/573187575.db2.gz UPORPEXXDCVTHR-SECBINFHSA-N 1 1 184.327 1.844 10 0 ADAEMO CC1(C)CCN(C(C)(C)C)C[C@H]1[NH3+] 259363209 573187581 /nfs/dbraw/zinc/18/75/81/573187581.db2.gz UPORPEXXDCVTHR-SECBINFHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]([NH3+])c1nnc(NC2CCCC2)o1 235514175 573187736 /nfs/dbraw/zinc/18/77/36/573187736.db2.gz WAMKXCDLSZTQQW-LURJTMIESA-N 1 1 196.254 1.444 10 0 ADAEMO CNC([NH2+]C)c1ccc(F)c(C)c1 259362122 573187767 /nfs/dbraw/zinc/18/77/67/573187767.db2.gz LCOLHPYEGUTTCA-UHFFFAOYSA-N 1 1 182.242 1.572 10 0 ADAEMO C[C@H]([NH3+])c1nnc(NCC2CCC2)o1 235514365 573187959 /nfs/dbraw/zinc/18/79/59/573187959.db2.gz UJDPJVROECETCQ-LURJTMIESA-N 1 1 196.254 1.301 10 0 ADAEMO C[N@H+]1CCc2occc2C1 18616303 573188064 /nfs/dbraw/zinc/18/80/64/573188064.db2.gz JATVVDJYJXMVQE-UHFFFAOYSA-N 1 1 137.182 1.268 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H](O)C1 222660057 573188330 /nfs/dbraw/zinc/18/83/30/573188330.db2.gz SFFXWXVVIGWQPC-LMLFDSFASA-N 1 1 183.295 1.630 10 0 ADAEMO CC[NH2+]C[C@@H]1CC[C@H]1N1CC=CC1 308298668 573188488 /nfs/dbraw/zinc/18/84/88/573188488.db2.gz YVALHPMAWNJRDE-WDEREUQCSA-N 1 1 180.295 1.246 10 0 ADAEMO C1CC[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C[C@H]2C1 257745525 573188658 /nfs/dbraw/zinc/18/86/58/573188658.db2.gz VJEGYBPOWQLEJZ-HBNTYKKESA-N 1 1 180.295 1.223 10 0 ADAEMO C1CCN2C[C@@H]3CC[NH2+][C@@H]3C[C@H]2C1 257745525 573188666 /nfs/dbraw/zinc/18/86/66/573188666.db2.gz VJEGYBPOWQLEJZ-HBNTYKKESA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@H]1CC[C@H](C)C1OC(=O)[C@@H](C)[NH3+] 142124016 573188708 /nfs/dbraw/zinc/18/87/08/573188708.db2.gz QQFYQNSYXLUGJP-BIIVOSGPSA-N 1 1 185.267 1.311 10 0 ADAEMO CC[C@H]1CC[C@H]2CC(=O)C[N@H+]2C1 238306097 573188822 /nfs/dbraw/zinc/18/88/22/573188822.db2.gz UGNRBIYALYKMGS-IUCAKERBSA-N 1 1 167.252 1.450 10 0 ADAEMO CC[N@H+]1CCC=C(CCCO)C1 257962682 573189661 /nfs/dbraw/zinc/18/96/61/573189661.db2.gz FXBXXHGRFHJDDG-UHFFFAOYSA-N 1 1 169.268 1.411 10 0 ADAEMO CC(C)[C@H](C)[C@@H](CN)[N@@H+](C)C(C)C 308298182 573189766 /nfs/dbraw/zinc/18/97/66/573189766.db2.gz YHJPJFQXNXDGEC-WDEREUQCSA-N 1 1 186.343 1.946 10 0 ADAEMO CC(C)[C@H](C)[C@H](CN)[N@@H+](C)C(C)C 308298181 573189794 /nfs/dbraw/zinc/18/97/94/573189794.db2.gz YHJPJFQXNXDGEC-QWRGUYRKSA-N 1 1 186.343 1.946 10 0 ADAEMO CC(C)C[C@@H]1CC[C@@H]([NH3+])CN1C 74310668 573189831 /nfs/dbraw/zinc/18/98/31/573189831.db2.gz AXPPLWOWXFAJQY-ZJUUUORDSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)C[C@@H]1CC[C@@H](N)C[N@@H+]1C 74310668 573189838 /nfs/dbraw/zinc/18/98/38/573189838.db2.gz AXPPLWOWXFAJQY-ZJUUUORDSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)C[C@@H]1CC[C@@H](N)C[N@H+]1C 74310668 573189843 /nfs/dbraw/zinc/18/98/43/573189843.db2.gz AXPPLWOWXFAJQY-ZJUUUORDSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@]1(O)CCCC[N@H+]2CCC[C@H]21 258574721 573190045 /nfs/dbraw/zinc/19/00/45/573190045.db2.gz RWAHAMVIFKKLLS-VHSXEESVSA-N 1 1 169.268 1.386 10 0 ADAEMO C[NH+](C)[C@@H](CN)CC1CCCC1 74310706 573190251 /nfs/dbraw/zinc/19/02/51/573190251.db2.gz WTDQMAGBSHRDNL-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CN(C)[C@H]1CC[NH2+][C@H](C2CC2)C1 238302154 573190331 /nfs/dbraw/zinc/19/03/31/573190331.db2.gz FEHUPILXCDGGJB-UWVGGRQHSA-N 1 1 168.284 1.079 10 0 ADAEMO CCCCC[N@H+]1C[C@@H](N)CC1(C)C 259363032 573190631 /nfs/dbraw/zinc/19/06/31/573190631.db2.gz KJJGUOVCWSEHFI-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CC(C)(CF)[NH2+]Cc1ccc(O)cn1 308514277 573190675 /nfs/dbraw/zinc/19/06/75/573190675.db2.gz MDDUMQVTJYOUGS-UHFFFAOYSA-N 1 1 198.241 1.625 10 0 ADAEMO CCCCC[N@H+]1C[C@H](N)CC1(C)C 259363033 573190706 /nfs/dbraw/zinc/19/07/06/573190706.db2.gz KJJGUOVCWSEHFI-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO Cc1ccccc1[C@H](N)C1(C[NH3+])CC1 259362332 573190781 /nfs/dbraw/zinc/19/07/81/573190781.db2.gz KFBXGBGFHATODJ-NSHDSACASA-N 1 1 190.290 1.734 10 0 ADAEMO C[C@H]([NH3+])c1nnc(NCC2(C)CC2)o1 235514289 573190800 /nfs/dbraw/zinc/19/08/00/573190800.db2.gz LQAYDVLYNIHQKC-LURJTMIESA-N 1 1 196.254 1.301 10 0 ADAEMO C[C@]1(O)CCCC[N@H+]2CCC[C@H]21 258574717 573191067 /nfs/dbraw/zinc/19/10/67/573191067.db2.gz RWAHAMVIFKKLLS-UWVGGRQHSA-N 1 1 169.268 1.386 10 0 ADAEMO CN1C=[NH+]c2ccccc2N1 142182796 573191251 /nfs/dbraw/zinc/19/12/51/573191251.db2.gz IBOWOMWZEPMZMJ-UHFFFAOYSA-N 1 1 147.181 1.619 10 0 ADAEMO Cc1ccccc1[C@@H](N)C1(C[NH3+])CC1 259362327 573192186 /nfs/dbraw/zinc/19/21/86/573192186.db2.gz KFBXGBGFHATODJ-LLVKDONJSA-N 1 1 190.290 1.734 10 0 ADAEMO CNC[C@H]1CCC[N@@H+]1C[C@H](C)C(C)C 308516185 573192191 /nfs/dbraw/zinc/19/21/91/573192191.db2.gz NUAWUBXRWQEBEM-NWDGAFQWSA-N 1 1 198.354 1.962 10 0 ADAEMO COc1cc2n[nH]c(C)c2cc1C[NH3+] 259363896 573191491 /nfs/dbraw/zinc/19/14/91/573191491.db2.gz IRXKOQASIDPFSL-UHFFFAOYSA-N 1 1 191.234 1.339 10 0 ADAEMO CC1(C)C[C@H](CO)[N@@H+](CCCF)C1 308302075 573191584 /nfs/dbraw/zinc/19/15/84/573191584.db2.gz MJLSTWUXAVLOBX-SECBINFHSA-N 1 1 189.274 1.439 10 0 ADAEMO COC(=O)[C@H](C)[NH2+]C[C@H]1C[C@@H]1C1CC1 308516608 573192495 /nfs/dbraw/zinc/19/24/95/573192495.db2.gz MYQFSCMBPZKFQS-FXBDTBDDSA-N 1 1 197.278 1.184 10 0 ADAEMO CC1(NC[C@H]2CCC[NH2+]2)CCCC1 82785792 573191854 /nfs/dbraw/zinc/19/18/54/573191854.db2.gz WEJSJQDWYOOREN-SNVBAGLBSA-N 1 1 182.311 1.661 10 0 ADAEMO C[N@H+]1[C@H](CN)[C@@H]2CCCC[C@@H]2C1(C)C 238302168 573191966 /nfs/dbraw/zinc/19/19/66/573191966.db2.gz WSNCUOLDXPXJMK-OUAUKWLOSA-N 1 1 196.338 1.844 10 0 ADAEMO CC1([N@H+]2CCC[C@@H](N)C2)CCCC1 82785733 573192023 /nfs/dbraw/zinc/19/20/23/573192023.db2.gz IBIVEFGXGIELPJ-SNVBAGLBSA-N 1 1 182.311 1.742 10 0 ADAEMO CC1(N2CCC[C@@H]([NH3+])C2)CCCC1 82785733 573192025 /nfs/dbraw/zinc/19/20/25/573192025.db2.gz IBIVEFGXGIELPJ-SNVBAGLBSA-N 1 1 182.311 1.742 10 0 ADAEMO Fc1cccc(CNC2=[NH+]CCO2)c1 115411490 573192035 /nfs/dbraw/zinc/19/20/35/573192035.db2.gz ZDVOPXFOZVVLAD-UHFFFAOYSA-N 1 1 194.209 1.302 10 0 ADAEMO CC1(C)C[C@@H](CO)[N@@H+](CCCF)C1 308302078 573192051 /nfs/dbraw/zinc/19/20/51/573192051.db2.gz MJLSTWUXAVLOBX-VIFPVBQESA-N 1 1 189.274 1.439 10 0 ADAEMO CC[C@H](C)[C@H]1CC[C@H](N)C[N@H+]1C 74310675 573192069 /nfs/dbraw/zinc/19/20/69/573192069.db2.gz KZRMNUCELUEFKL-LPEHRKFASA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)[C@H]1CC[C@H]([NH3+])CN1C 74310675 573192075 /nfs/dbraw/zinc/19/20/75/573192075.db2.gz KZRMNUCELUEFKL-LPEHRKFASA-N 1 1 170.300 1.454 10 0 ADAEMO Cc1cc2n[nH]c(C)c2cc1C[NH3+] 259360574 573192100 /nfs/dbraw/zinc/19/21/00/573192100.db2.gz IMGVRDHXOZMJHR-UHFFFAOYSA-N 1 1 175.235 1.638 10 0 ADAEMO CC[N@H+]1CC[C@@H](Cc2cccnn2)C1 259361963 573192139 /nfs/dbraw/zinc/19/21/39/573192139.db2.gz GYDUYRRIHXSPEH-JTQLQIEISA-N 1 1 191.278 1.361 10 0 ADAEMO C[C@@H]1CC(c2cccnc2)=NNC1=[NH2+] 82787247 573192513 /nfs/dbraw/zinc/19/25/13/573192513.db2.gz PIBAWKCGFVUWMF-SSDOTTSWSA-N 1 1 188.234 1.183 10 0 ADAEMO CNC[C@H]1CCC[N@H+]1C[C@H](C)C(C)C 308516185 573192200 /nfs/dbraw/zinc/19/22/00/573192200.db2.gz NUAWUBXRWQEBEM-NWDGAFQWSA-N 1 1 198.354 1.962 10 0 ADAEMO CN[C@H]1CC[N@@H+](C2(C)CCCC2)C1 82785558 573192258 /nfs/dbraw/zinc/19/22/58/573192258.db2.gz DBJJLQLZOYHTPI-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CN[C@H]1CC[N@H+](C2(C)CCCC2)C1 82785558 573192266 /nfs/dbraw/zinc/19/22/66/573192266.db2.gz DBJJLQLZOYHTPI-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@@H]1CC(c2ccccn2)=NNC1=[NH2+] 82787199 573192285 /nfs/dbraw/zinc/19/22/85/573192285.db2.gz YIMYDQDCGDQCTN-SSDOTTSWSA-N 1 1 188.234 1.183 10 0 ADAEMO c1nc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c[nH]1 308515988 573192296 /nfs/dbraw/zinc/19/22/96/573192296.db2.gz MSAHSABZWUILAP-WDEREUQCSA-N 1 1 191.278 1.688 10 0 ADAEMO CCC(C)(C)C[NH2+][C@@H]1CCOC1=O 308302538 573192304 /nfs/dbraw/zinc/19/23/04/573192304.db2.gz MQXGZEJXQDWIAC-MRVPVSSYSA-N 1 1 185.267 1.328 10 0 ADAEMO [NH2+]=C1CCC(c2ccccc2F)=NN1 82786688 573192358 /nfs/dbraw/zinc/19/23/58/573192358.db2.gz PFEKHRJKPATFBB-UHFFFAOYSA-N 1 1 191.209 1.681 10 0 ADAEMO C[C@H]1CC(=[NH2+])NN=C1c1ccccn1 82786956 573192398 /nfs/dbraw/zinc/19/23/98/573192398.db2.gz QESCGEXYCQOLDL-ZETCQYMHSA-N 1 1 188.234 1.183 10 0 ADAEMO Cc1nc(C2([NH3+])CC2)[nH]c1CC(C)C 258573460 573192487 /nfs/dbraw/zinc/19/24/87/573192487.db2.gz NRKNCRNEPIISKD-UHFFFAOYSA-N 1 1 193.294 1.864 10 0 ADAEMO c1nc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c[nH]1 308515685 573193136 /nfs/dbraw/zinc/19/31/36/573193136.db2.gz MSAHSABZWUILAP-GHMZBOCLSA-N 1 1 191.278 1.688 10 0 ADAEMO CN(C)[C@H]1CC[NH2+][C@@H](C2CC2)C1 238302139 573193182 /nfs/dbraw/zinc/19/31/82/573193182.db2.gz FEHUPILXCDGGJB-VHSXEESVSA-N 1 1 168.284 1.079 10 0 ADAEMO CC1(NC[C@@H]2CCC[NH2+]2)CCCC1 82785791 573193243 /nfs/dbraw/zinc/19/32/43/573193243.db2.gz WEJSJQDWYOOREN-JTQLQIEISA-N 1 1 182.311 1.661 10 0 ADAEMO C[C@H]1CC(=[NH2+])NN=C1c1ccncc1 82787084 573193328 /nfs/dbraw/zinc/19/33/28/573193328.db2.gz LOSIDIWYANGREC-ZETCQYMHSA-N 1 1 188.234 1.183 10 0 ADAEMO C[C@H]1CC(=[NH2+])NN=C1c1cccnc1 82787002 573193362 /nfs/dbraw/zinc/19/33/62/573193362.db2.gz KDPAJNRNHGQFOR-ZETCQYMHSA-N 1 1 188.234 1.183 10 0 ADAEMO C[C@]1(O)CCCC[N@H+]2CCC[C@@H]21 258574724 573193382 /nfs/dbraw/zinc/19/33/82/573193382.db2.gz RWAHAMVIFKKLLS-ZJUUUORDSA-N 1 1 169.268 1.386 10 0 ADAEMO N[C@@H](c1ccc(F)c(F)c1)C1C[NH2+]C1 259365388 573193403 /nfs/dbraw/zinc/19/34/03/573193403.db2.gz MMBYQCFBVGFBAX-JTQLQIEISA-N 1 1 198.216 1.184 10 0 ADAEMO C[C@H]1CC(c2ccccn2)=NNC1=[NH2+] 82787201 573193472 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CC[C@@H](C)[N@H+]1C[C@H](N)CC1(C)C 259365869 573196954 /nfs/dbraw/zinc/19/69/54/573196954.db2.gz KMNOJWMIUSJOCJ-RKDXNWHRSA-N 1 1 170.300 1.597 10 0 ADAEMO CC(=O)C[C@@H](C)[N@H+]1CCCOCC1 82792619 573196966 /nfs/dbraw/zinc/19/69/66/573196966.db2.gz OSHYQRYKCXJFEK-SECBINFHSA-N 1 1 185.267 1.076 10 0 ADAEMO C[N@H+]1CCC(C)(C)C[C@@H]1CO 258580455 573197028 /nfs/dbraw/zinc/19/70/28/573197028.db2.gz SIWNWIHUXDIXCL-MRVPVSSYSA-N 1 1 157.257 1.099 10 0 ADAEMO CC(C)(C[NH3+])[C@H](N)c1cccnc1 259368294 573197130 /nfs/dbraw/zinc/19/71/30/573197130.db2.gz MPTCFVSRKBTSBZ-SECBINFHSA-N 1 1 179.267 1.066 10 0 ADAEMO CC[N@@H+](CCC(C)=O)C[C@H](C)OC 308306407 573197253 /nfs/dbraw/zinc/19/72/53/573197253.db2.gz ORHBLWUSDHXPLI-JTQLQIEISA-N 1 1 187.283 1.322 10 0 ADAEMO CCc1cc(OC)c2c[nH+]cn2c1 238310388 573197362 /nfs/dbraw/zinc/19/73/62/573197362.db2.gz XZFBIJFBHXGYKA-UHFFFAOYSA-N 1 1 176.219 1.905 10 0 ADAEMO Cc1ccc(C(=[NH2+])NO)nc1C 115415961 573197369 /nfs/dbraw/zinc/19/73/69/573197369.db2.gz AZTIORXEYDDHQO-UHFFFAOYSA-N 1 1 165.196 1.003 10 0 ADAEMO CN[C@@H](C1CCCCC1)[C@H]1CCC[NH2+]1 259364453 573197385 /nfs/dbraw/zinc/19/73/85/573197385.db2.gz LFXSWFXWBNSHLY-NEPJUHHUSA-N 1 1 196.338 1.907 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](N)CC1(C)C 259365868 573197482 /nfs/dbraw/zinc/19/74/82/573197482.db2.gz KMNOJWMIUSJOCJ-IUCAKERBSA-N 1 1 170.300 1.597 10 0 ADAEMO CC(=O)C[C@@H](C)[N@H+](C)C(C)C 82791711 573197867 /nfs/dbraw/zinc/19/78/67/573197867.db2.gz VCRKWLBTMZHJQR-MRVPVSSYSA-N 1 1 157.257 1.694 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+](C)C(C)C 82791708 573197879 /nfs/dbraw/zinc/19/78/79/573197879.db2.gz VCRKWLBTMZHJQR-QMMMGPOBSA-N 1 1 157.257 1.694 10 0 ADAEMO CN[C@@H](C1CCCCC1)[C@@H]1CCC[NH2+]1 259364464 573197947 /nfs/dbraw/zinc/19/79/47/573197947.db2.gz LFXSWFXWBNSHLY-RYUDHWBXSA-N 1 1 196.338 1.907 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CCC[C@H]1C 82791890 573197974 /nfs/dbraw/zinc/19/79/74/573197974.db2.gz ZYOVBACJHPXBRQ-BDAKNGLRSA-N 1 1 169.268 1.838 10 0 ADAEMO 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1 184.239 1.362 10 0 ADAEMO CCC[N@@H+](C)[C@]1(CN)C[C@H](C)[C@H]1C 308316337 573215814 /nfs/dbraw/zinc/21/58/14/573215814.db2.gz XCJKEFOEKLSOIG-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@H]1CC[C@@H](CC)[C@@H]([NH3+])[C@@H]1N 238307767 573215878 /nfs/dbraw/zinc/21/58/78/573215878.db2.gz ZQCSMQFOUDZHGX-UTINFBMNSA-N 1 1 170.300 1.487 10 0 ADAEMO CC[C@H]1CC[C@@H](CC)[C@@H](N)[C@@H]1[NH3+] 238307767 573215884 /nfs/dbraw/zinc/21/58/84/573215884.db2.gz ZQCSMQFOUDZHGX-UTINFBMNSA-N 1 1 170.300 1.487 10 0 ADAEMO CN1CC[C@@H](CCC[NH3+])[C@@H](F)C1 257973249 573216150 /nfs/dbraw/zinc/21/61/50/573216150.db2.gz YWOFUPKIRGZMDD-BDAKNGLRSA-N 1 1 174.263 1.015 10 0 ADAEMO CCCCC[N@H+]1C[C@H](N)CC[C@@H]1C 40740152 573216503 /nfs/dbraw/zinc/21/65/03/573216503.db2.gz QJJPHCJUICKIOC-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO COC(=O)C[NH2+]C1C[C@@H](C)C[C@@H](C)C1 82829363 573216185 /nfs/dbraw/zinc/21/61/85/573216185.db2.gz QSVXRGGHYGLIFJ-ULKQDVFKSA-N 1 1 199.294 1.574 10 0 ADAEMO 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184.327 1.763 10 0 ADAEMO C[C@H]1C[C@]([NH3+])(CN)CC[C@H]1C 82837920 573223776 /nfs/dbraw/zinc/22/37/76/573223776.db2.gz FXZUJSBSNLCVFD-VGMNWLOBSA-N 1 1 156.273 1.099 10 0 ADAEMO C[N@@H+](CCC1(O)CC1)[C@H]1CC1(C)C 308318621 573221563 /nfs/dbraw/zinc/22/15/63/573221563.db2.gz YWFUGLKPFSPFNT-VIFPVBQESA-N 1 1 183.295 1.632 10 0 ADAEMO CCC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86010806 573223778 /nfs/dbraw/zinc/22/37/78/573223778.db2.gz CFLSCVVXFCUTMI-AEJSXWLSSA-N 1 1 183.295 1.942 10 0 ADAEMO CC[C@H]([NH3+])C1C(=O)C=C(C)NC1=O 238309306 573221124 /nfs/dbraw/zinc/22/11/24/573221124.db2.gz AEEMVIMRCPKHHV-LURJTMIESA-N 1 1 182.223 1.211 10 0 ADAEMO C[NH2+]C1(C(=O)OC)C[C@H](C)C[C@@H](C)C1 82831217 573221200 /nfs/dbraw/zinc/22/12/00/573221200.db2.gz ZXHUVGOLYKEZAL-RKDXNWHRSA-N 1 1 199.294 1.574 10 0 ADAEMO C[C@@H]1C[NH2+][C@@H](c2ccco2)OC1 258487804 573221318 /nfs/dbraw/zinc/22/13/18/573221318.db2.gz LOGHJXBXGNHOFR-VXNVDRBHSA-N 1 1 167.208 1.534 10 0 ADAEMO C[C@@H]1C[C@@H](C)CC(C[NH3+])(N(C)C)C1 82830810 573221398 /nfs/dbraw/zinc/22/13/98/573221398.db2.gz KCQOWMKUZSYKHA-NXEZZACHSA-N 1 1 184.327 1.702 10 0 ADAEMO C[NH2+]CNC1CCCCC1 258594407 573221409 /nfs/dbraw/zinc/22/14/09/573221409.db2.gz GUCJEGBOEFGCEB-UHFFFAOYSA-N 1 1 142.246 1.086 10 0 ADAEMO CCOCC[N@H+]1CCCC[C@H](F)C1 308319722 573221494 /nfs/dbraw/zinc/22/14/94/573221494.db2.gz ZQZGITKOROLWRG-JTQLQIEISA-N 1 1 189.274 1.847 10 0 ADAEMO COC(=O)C[NH2+]C1(C)CCCCCC1 308519220 573221501 /nfs/dbraw/zinc/22/15/01/573221501.db2.gz OAUDSXKJEVBYNK-UHFFFAOYSA-N 1 1 199.294 1.862 10 0 ADAEMO C[NH2+]Cc1nc2c([nH]1)[C@@H](C)C[C@H](C)C2 82831933 573221516 /nfs/dbraw/zinc/22/15/16/573221516.db2.gz ONVIEXRIARUMNS-YUMQZZPRSA-N 1 1 193.294 1.815 10 0 ADAEMO C[NH2+]Cc1nc2c([nH]1)[C@H](C)C[C@H](C)C2 82831931 573221616 /nfs/dbraw/zinc/22/16/16/573221616.db2.gz ONVIEXRIARUMNS-JGVFFNPUSA-N 1 1 193.294 1.815 10 0 ADAEMO COC(=O)C1(C[C@H]2CC[N@@H+](C)C2)CC1 259036897 573221625 /nfs/dbraw/zinc/22/16/25/573221625.db2.gz CDSUVJRNGJYMCD-SECBINFHSA-N 1 1 197.278 1.281 10 0 ADAEMO C[N@@H+](CCC1(O)CC1)[C@@H]1CC1(C)C 308318620 573221644 /nfs/dbraw/zinc/22/16/44/573221644.db2.gz YWFUGLKPFSPFNT-SECBINFHSA-N 1 1 183.295 1.632 10 0 ADAEMO C[C@@H]1CC(OC(=O)[C@@H](C)[NH3+])C[C@@H](C)C1 82834760 573221677 /nfs/dbraw/zinc/22/16/77/573221677.db2.gz DWNRVCPNADWNAA-XHNCKOQMSA-N 1 1 199.294 1.702 10 0 ADAEMO C[NH2+]Cc1nc2c([nH]1)[C@H](C)C[C@@H](C)C2 82831932 573221696 /nfs/dbraw/zinc/22/16/96/573221696.db2.gz ONVIEXRIARUMNS-HTQZYQBOSA-N 1 1 193.294 1.815 10 0 ADAEMO Cc1cnc(C[NH2+][C@@H]2CC23CC3)nc1 715259071 573221790 /nfs/dbraw/zinc/22/17/90/573221790.db2.gz ATDNUDKXMXCMTK-SECBINFHSA-N 1 1 189.262 1.427 10 0 ADAEMO C[C@H]1CO[C@H](c2ccc(Cl)o2)[NH2+]1 258592803 573221866 /nfs/dbraw/zinc/22/18/66/573221866.db2.gz QKMQKFHMDKNKES-YLWLKBPMSA-N 1 1 187.626 1.940 10 0 ADAEMO CC1=C[NH2+]C(C)=C(C)N1 104731879 573221872 /nfs/dbraw/zinc/22/18/72/573221872.db2.gz LEGSTAODFNTHFJ-UHFFFAOYSA-N 1 1 124.187 1.292 10 0 ADAEMO CC[N@@H+](C)C[C@H]1[C@@H](O)C[C@@H](C)C[C@H]1C 82832596 573222204 /nfs/dbraw/zinc/22/22/04/573222204.db2.gz SXVIKXHFWUYQPA-QCNOEVLYSA-N 1 1 199.338 1.981 10 0 ADAEMO CC[C@](C)(OC)c1ncc([C@@H](C)[NH3+])[nH]1 308518665 573222208 /nfs/dbraw/zinc/22/22/08/573222208.db2.gz GOVWJWNQFIYQRP-XCBNKYQSSA-N 1 1 197.282 1.701 10 0 ADAEMO C[N@@H+](Cc1ncno1)C[Si](C)(C)C 388687801 573222302 /nfs/dbraw/zinc/22/23/02/573222302.db2.gz KBYVZRCFRMZFMH-UHFFFAOYSA-N 1 1 199.330 1.379 10 0 ADAEMO C[C@H]1C[NH2+][C@H](c2ccco2)OC1 258487796 573222348 /nfs/dbraw/zinc/22/23/48/573222348.db2.gz LOGHJXBXGNHOFR-CBAPKCEASA-N 1 1 167.208 1.534 10 0 ADAEMO C[NH2+]C1(C(=O)OC)C[C@@H](C)C[C@H](C)C1 82831216 573222363 /nfs/dbraw/zinc/22/23/63/573222363.db2.gz ZXHUVGOLYKEZAL-IUCAKERBSA-N 1 1 199.294 1.574 10 0 ADAEMO CC[N@H+]1CCO[C@H](Cn2cccc2)C1 86007934 573223823 /nfs/dbraw/zinc/22/38/23/573223823.db2.gz HNDFDNCJOUEQJG-NSHDSACASA-N 1 1 194.278 1.209 10 0 ADAEMO Nc1[nH+]c2ccc(F)cn2c1C1CC1 115848881 573223347 /nfs/dbraw/zinc/22/33/47/573223347.db2.gz YKNYFSONJLPHOK-UHFFFAOYSA-N 1 1 191.209 1.933 10 0 ADAEMO C[C@H]1CCCN[C@@H]1C[NH2+]C1(C)CCC1 235549138 573223373 /nfs/dbraw/zinc/22/33/73/573223373.db2.gz NVVRTCOHTISDSZ-WDEREUQCSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@H]1CCC[NH2+][C@@H]1CNC1(C)CCC1 235549138 573223377 /nfs/dbraw/zinc/22/33/77/573223377.db2.gz NVVRTCOHTISDSZ-WDEREUQCSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@H]1C[C@@H](OC(=O)C[NH3+])CC[C@H]1C 82840085 573223430 /nfs/dbraw/zinc/22/34/30/573223430.db2.gz ZPDAIGOECMQNJR-VGMNWLOBSA-N 1 1 185.267 1.313 10 0 ADAEMO CN[C@H](C(C)C)[NH+]1CCCCC1 238320813 573223443 /nfs/dbraw/zinc/22/34/43/573223443.db2.gz RIACAIHGYAXKPV-JTQLQIEISA-N 1 1 170.300 1.674 10 0 ADAEMO ClC1=CC=C[NH2+]C1 104727291 573223451 /nfs/dbraw/zinc/22/34/51/573223451.db2.gz UHOFZUFSZUSFOI-UHFFFAOYSA-N 1 1 115.563 1.226 10 0 ADAEMO C[C@@H]1CO[C@@H](c2ccc(Cl)o2)[NH2+]1 258592801 573223461 /nfs/dbraw/zinc/22/34/61/573223461.db2.gz QKMQKFHMDKNKES-XRGYYRRGSA-N 1 1 187.626 1.940 10 0 ADAEMO C[C@H]1C[C@H](OC(=O)C[NH3+])CC[C@H]1C 82840087 573223485 /nfs/dbraw/zinc/22/34/85/573223485.db2.gz ZPDAIGOECMQNJR-HRDYMLBCSA-N 1 1 185.267 1.313 10 0 ADAEMO COCCc1cccc(C(=O)C[NH3+])c1 259382426 573223534 /nfs/dbraw/zinc/22/35/34/573223534.db2.gz IAZFQXJQEAXBCM-UHFFFAOYSA-N 1 1 193.246 1.017 10 0 ADAEMO CC[C@@H](CO)C[C@H]1CCC[N@@H+](C)C1 259381591 573223580 /nfs/dbraw/zinc/22/35/80/573223580.db2.gz NESZSNOZTJBGLC-GHMZBOCLSA-N 1 1 185.311 1.737 10 0 ADAEMO C[C@H]1CO[C@@H](c2ccc(Cl)o2)[NH2+]1 258592799 573223647 /nfs/dbraw/zinc/22/36/47/573223647.db2.gz QKMQKFHMDKNKES-XNCJUZBTSA-N 1 1 187.626 1.940 10 0 ADAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCCCN2)C[C@@H]1C 86010048 573223680 /nfs/dbraw/zinc/22/36/80/573223680.db2.gz JFUMRMHMQZKGBG-TUAOUCFPSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H]1C[N@H+](C[C@@H]2CCCCN2)C[C@@H]1C 86010048 573223684 /nfs/dbraw/zinc/22/36/84/573223684.db2.gz JFUMRMHMQZKGBG-TUAOUCFPSA-N 1 1 196.338 1.716 10 0 ADAEMO Cc1cc(C(=O)C[NH3+])c(C=O)cc1F 257975094 573223787 /nfs/dbraw/zinc/22/37/87/573223787.db2.gz DHQSVUSWTNIFPY-UHFFFAOYSA-N 1 1 195.193 1.088 10 0 ADAEMO CC(=O)c1cc([C@H]2CCC[N@H+]2C)on1 259380633 573223724 /nfs/dbraw/zinc/22/37/24/573223724.db2.gz WEEPPPKIWVXFOJ-SECBINFHSA-N 1 1 194.234 1.644 10 0 ADAEMO CC(=O)c1cc([C@H]2CCC[N@@H+]2C)on1 259380633 573223730 /nfs/dbraw/zinc/22/37/30/573223730.db2.gz WEEPPPKIWVXFOJ-SECBINFHSA-N 1 1 194.234 1.644 10 0 ADAEMO C[C@@H]1CN(c2[nH+]cccc2N)C[C@H]1C 86009510 573223739 /nfs/dbraw/zinc/22/37/39/573223739.db2.gz BKAYZMXLDLFWOC-RKDXNWHRSA-N 1 1 191.278 1.756 10 0 ADAEMO NC1([C@@H]([NH3+])c2ccccc2)CC1 259383942 573223742 /nfs/dbraw/zinc/22/37/42/573223742.db2.gz LBOBZRAFRWOELI-VIFPVBQESA-N 1 1 162.236 1.178 10 0 ADAEMO [NH3+]C1(c2nc(C3CC3)co2)CC1 258592578 573223849 /nfs/dbraw/zinc/22/38/49/573223849.db2.gz UDWGZSZTLJKEQD-UHFFFAOYSA-N 1 1 164.208 1.500 10 0 ADAEMO COCC[N@@H+](CC(C)=O)[C@H](C)C1CC1 42680793 573224590 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XAIGKVALFLZKOI-JTQLQIEISA-N 1 1 199.294 1.322 10 0 ADAEMO CN[C@@H](c1sccc1C)C1([NH3+])CC1 259382264 573224537 /nfs/dbraw/zinc/22/45/37/573224537.db2.gz VVUTVFWZXUXGGA-VIFPVBQESA-N 1 1 196.319 1.808 10 0 ADAEMO C[C@H]([NH3+])C(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1 82839888 573226550 /nfs/dbraw/zinc/22/65/50/573226550.db2.gz XDASFLZIDNKEFW-AATLWQCWSA-N 1 1 199.294 1.702 10 0 ADAEMO C[N@@H+](CC1CC1)[C@]1(CN)CC[C@@H]2C[C@@H]21 308519890 573226678 /nfs/dbraw/zinc/22/66/78/573226678.db2.gz HCSUBOCEXALRMJ-WOPDTQHZSA-N 1 1 194.322 1.456 10 0 ADAEMO C[NH2+][C@H](C)CN1C[C@@H](C)[C@H](C)C1 86009482 573226681 /nfs/dbraw/zinc/22/66/81/573226681.db2.gz JFHWBZPCTQODTI-OPRDCNLKSA-N 1 1 170.300 1.182 10 0 ADAEMO C[C@@H]1CN(c2ccc(N)c[nH+]2)C[C@@H]1C 86009765 573226696 /nfs/dbraw/zinc/22/66/96/573226696.db2.gz QRGWGJLRNJFMCQ-DTORHVGOSA-N 1 1 191.278 1.756 10 0 ADAEMO Cc1ccc(-c2[nH+]cn(C)c2N)cc1 104846733 573226535 /nfs/dbraw/zinc/22/65/35/573226535.db2.gz MLAKNQLTDGTAIN-UHFFFAOYSA-N 1 1 187.246 1.978 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2CCCC2=O)C[C@@H]1C 86010826 573226286 /nfs/dbraw/zinc/22/62/86/573226286.db2.gz XGRMTENAEKZYJM-KXUCPTDWSA-N 1 1 181.279 1.696 10 0 ADAEMO CCOCC[N@@H+](C)Cc1cc[nH]c1 308312191 573226360 /nfs/dbraw/zinc/22/63/60/573226360.db2.gz SNKBIUZKPFMDJR-UHFFFAOYSA-N 1 1 182.267 1.483 10 0 ADAEMO CCC(C)(C)C[N@@H+](CCO)C1CC1 308312508 573226378 /nfs/dbraw/zinc/22/63/78/573226378.db2.gz SGLWIBXDMCGKEF-UHFFFAOYSA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@H](CN1CC[NH2+]CC1)CC(C)(C)C 107189071 573226457 /nfs/dbraw/zinc/22/64/57/573226457.db2.gz UXKKXYHDFMJSTC-NSHDSACASA-N 1 1 198.354 1.964 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2O)C[C@@H]1C 86011032 573226493 /nfs/dbraw/zinc/22/64/93/573226493.db2.gz PNQSNINMRSSDFC-YTWAJWBKSA-N 1 1 183.295 1.488 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@](C)(CN)C2CC2)C[C@@H]1C 86008652 573226504 /nfs/dbraw/zinc/22/65/04/573226504.db2.gz TVVOZPPLWUHWHP-UMNHJUIQSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@H]([NH3+])C(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 82839886 573226592 /nfs/dbraw/zinc/22/65/92/573226592.db2.gz XDASFLZIDNKEFW-XFWSIPNHSA-N 1 1 199.294 1.702 10 0 ADAEMO CC(=O)C[C@H]1C[N@H+](C)CC1(C)C 238321336 573227560 /nfs/dbraw/zinc/22/75/60/573227560.db2.gz CBMSLLLOMRIUGV-VIFPVBQESA-N 1 1 169.268 1.553 10 0 ADAEMO C[NH2+][C@H](C)CN1C[C@H](C)[C@@H](C)C1 86009480 573227518 /nfs/dbraw/zinc/22/75/18/573227518.db2.gz JFHWBZPCTQODTI-LPEHRKFASA-N 1 1 170.300 1.182 10 0 ADAEMO C[N@@H+](CCCCO)CCc1ccc[nH]1 259037684 573227162 /nfs/dbraw/zinc/22/71/62/573227162.db2.gz PHUNXIJYWVQCHP-UHFFFAOYSA-N 1 1 196.294 1.262 10 0 ADAEMO C[C@@H]1C[N@@H+](C(C)(C)CN)C[C@@H]1C 86008748 573227194 /nfs/dbraw/zinc/22/71/94/573227194.db2.gz AFRGPWNDAXCWLF-DTORHVGOSA-N 1 1 170.300 1.312 10 0 ADAEMO C[NH2+][C@@H](C)c1coc(CN)c1 258599646 573227225 /nfs/dbraw/zinc/22/72/25/573227225.db2.gz USUJVOKTBPVVKW-LURJTMIESA-N 1 1 154.213 1.019 10 0 ADAEMO CC(C)C[C@@]1(CN)CCC[N@H+]1C 258600527 573227244 /nfs/dbraw/zinc/22/72/44/573227244.db2.gz IDIWFFMQKLTFNP-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H]2O)C[C@@H]1C 86012335 573227249 /nfs/dbraw/zinc/22/72/49/573227249.db2.gz OBOKJKWGEOPLRY-USZNOCQGSA-N 1 1 197.322 1.735 10 0 ADAEMO C[C@H]1C[C@H](OC(=O)[C@@H](C)[NH3+])CC[C@H]1C 82840039 573227251 /nfs/dbraw/zinc/22/72/51/573227251.db2.gz XDASFLZIDNKEFW-UTINFBMNSA-N 1 1 199.294 1.702 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1C(C)(C)ON 259386186 573227258 /nfs/dbraw/zinc/22/72/58/573227258.db2.gz HORZNKAALGALII-SECBINFHSA-N 1 1 186.299 1.528 10 0 ADAEMO C[C@H]([C@H]1CCCN(C)C1)[NH+](C)C 259037926 573227262 /nfs/dbraw/zinc/22/72/62/573227262.db2.gz AQDGTXIJBXRNPW-ZJUUUORDSA-N 1 1 170.300 1.278 10 0 ADAEMO CC[C@H](NC)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009148 573227289 /nfs/dbraw/zinc/22/72/89/573227289.db2.gz POEVOVBIUKHOMD-USZNOCQGSA-N 1 1 198.354 1.961 10 0 ADAEMO CC[C@H](NC)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009148 573227296 /nfs/dbraw/zinc/22/72/96/573227296.db2.gz POEVOVBIUKHOMD-USZNOCQGSA-N 1 1 198.354 1.961 10 0 ADAEMO CCC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86010903 573227316 /nfs/dbraw/zinc/22/73/16/573227316.db2.gz OPZQDTBCBLJUEZ-DTORHVGOSA-N 1 1 169.268 1.553 10 0 ADAEMO CCCCC[N@H+]1CCCN(C)C(=O)C1 259385517 573227348 /nfs/dbraw/zinc/22/73/48/573227348.db2.gz QLZLVOBEWJPKNY-UHFFFAOYSA-N 1 1 198.310 1.341 10 0 ADAEMO CCC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86010803 573227503 /nfs/dbraw/zinc/22/75/03/573227503.db2.gz CFLSCVVXFCUTMI-KXUCPTDWSA-N 1 1 183.295 1.942 10 0 ADAEMO C[C@@H]1C[N@@H+](C[C@H](N)C2CC2)C[C@@H]1C 86009312 573228408 /nfs/dbraw/zinc/22/84/08/573228408.db2.gz UTNWNZMTUIYXGS-NGZCFLSTSA-N 1 1 182.311 1.312 10 0 ADAEMO COC(=O)/C=C1/CC[N@H+]2CCCC[C@@H]12 123879320 573228150 /nfs/dbraw/zinc/22/81/50/573228150.db2.gz BCDAIBYDXZOXIP-QROTZFDESA-N 1 1 195.262 1.344 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2N)C[C@@H]1C 86009703 573228173 /nfs/dbraw/zinc/22/81/73/573228173.db2.gz SUNYQWTYPWVDFD-WHOHXGKFSA-N 1 1 196.338 1.844 10 0 ADAEMO Nc1ccc[nH+]c1NC[C@H]1CC1(F)F 717289792 573228189 /nfs/dbraw/zinc/22/81/89/573228189.db2.gz YCTNIJSCARMJTN-ZCFIWIBFSA-N 1 1 199.204 1.731 10 0 ADAEMO C[C@@H]1C[NH+]([C@@H]2CCCCNC2)C[C@H]1C 86012936 573228246 /nfs/dbraw/zinc/22/82/46/573228246.db2.gz RVLGYKOHIHPJQR-IJLUTSLNSA-N 1 1 196.338 1.716 10 0 ADAEMO CCC(=O)CC[N@@H+](C)CCCCO 308311292 573228305 /nfs/dbraw/zinc/22/83/05/573228305.db2.gz ROULLIDGGQULNZ-UHFFFAOYSA-N 1 1 187.283 1.060 10 0 ADAEMO C[C@H]([C@@H]1CCCN(C)C1)[NH+](C)C 259037923 573228341 /nfs/dbraw/zinc/22/83/41/573228341.db2.gz AQDGTXIJBXRNPW-NXEZZACHSA-N 1 1 170.300 1.278 10 0 ADAEMO C[C@@H]1C[N@H+](C[C@H](N)C2CC2)C[C@@H]1C 86009312 573228415 /nfs/dbraw/zinc/22/84/15/573228415.db2.gz UTNWNZMTUIYXGS-NGZCFLSTSA-N 1 1 182.311 1.312 10 0 ADAEMO Cc1cccc([C@H]2[NH2+]CCN[C@@H]2C)c1 259038473 573228436 /nfs/dbraw/zinc/22/84/36/573228436.db2.gz CCXBGCAJRVMVBC-PWSUYJOCSA-N 1 1 190.290 1.617 10 0 ADAEMO C[N@H+]1CCCC[C@H]1Cc1cc(N)n[nH]1 259386298 573228439 /nfs/dbraw/zinc/22/84/39/573228439.db2.gz WKHNUESVVASRDF-VIFPVBQESA-N 1 1 194.282 1.019 10 0 ADAEMO C[C@@H](C[NH3+])[C@H](c1ccc[nH]1)N(C)C 259383343 573228466 /nfs/dbraw/zinc/22/84/66/573228466.db2.gz GSFWPHNDSNWBKN-WCBMZHEXSA-N 1 1 181.283 1.212 10 0 ADAEMO C/C=C/C[N@@H+](C)CC(C)(C)CCO 308319583 573229228 /nfs/dbraw/zinc/22/92/28/573229228.db2.gz XRERUYSFESZZFU-AATRIKPKSA-N 1 1 185.311 1.903 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1Cc1cc(N)n[nH]1 259386295 573230798 /nfs/dbraw/zinc/23/07/98/573230798.db2.gz WKHNUESVVASRDF-SECBINFHSA-N 1 1 194.282 1.019 10 0 ADAEMO CO[C@@]1(C)CC[N@@H+](CC(=O)C2CC2)C1 308525692 573230801 /nfs/dbraw/zinc/23/08/01/573230801.db2.gz PBCUXOCMQKROCI-NSHDSACASA-N 1 1 197.278 1.076 10 0 ADAEMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCF)C1 308313123 573230876 /nfs/dbraw/zinc/23/08/76/573230876.db2.gz SSOFKYMMIQCFRR-VHSXEESVSA-N 1 1 189.274 1.439 10 0 ADAEMO COC(=O)/C=C1/CC[N@H+]2CCCC[C@H]12 123879126 573230886 /nfs/dbraw/zinc/23/08/86/573230886.db2.gz BCDAIBYDXZOXIP-HSTULFTRSA-N 1 1 195.262 1.344 10 0 ADAEMO CC[C@H](C)[N@@H+](CC(=O)OC)C1CC1 308312864 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ADAEMO C[C@H]1C[C@H]1[C@H]1C[C@H]1[N@@H+]1CCN[C@H](C)C1 716605915 573231237 /nfs/dbraw/zinc/23/12/37/573231237.db2.gz MQWFAZUPAWLPFW-VSSNEEPJSA-N 1 1 194.322 1.325 10 0 ADAEMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCF)C1 308313124 573231240 /nfs/dbraw/zinc/23/12/40/573231240.db2.gz SSOFKYMMIQCFRR-ZJUUUORDSA-N 1 1 189.274 1.439 10 0 ADAEMO C[C@H]1C[C@H]1[C@H]1C[C@H]1[N@H+]1CCN[C@H](C)C1 716605915 573231241 /nfs/dbraw/zinc/23/12/41/573231241.db2.gz MQWFAZUPAWLPFW-VSSNEEPJSA-N 1 1 194.322 1.325 10 0 ADAEMO CCC(CC)[N@@H+](CCO)C(C)C 50107276 573231354 /nfs/dbraw/zinc/23/13/54/573231354.db2.gz DITCZAITWXTYSB-UHFFFAOYSA-N 1 1 173.300 1.878 10 0 ADAEMO CC[C@H](C)[N@@H+](CCO)C1CC1 50103906 573231391 /nfs/dbraw/zinc/23/13/91/573231391.db2.gz GDNDWNGBXPANSZ-QMMMGPOBSA-N 1 1 157.257 1.242 10 0 ADAEMO CC[N@@H+]([C@@H](CN)C1CC1)C(C)(C)C 394268269 573231423 /nfs/dbraw/zinc/23/14/23/573231423.db2.gz SNKOAORXCJCDRN-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO CCC(C)(C)C[N@@H+](C)C[C@@H](C)CO 308314411 573231514 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573248020 /nfs/dbraw/zinc/24/80/20/573248020.db2.gz IXHFQQWTJBRNPP-PSASIEDQSA-N 1 1 162.236 1.495 10 0 ADAEMO CC[NH+](CC)c1ccc(O)c(N)c1 222957752 573248997 /nfs/dbraw/zinc/24/89/97/573248997.db2.gz CQGQGDZUTPNTPG-UHFFFAOYSA-N 1 1 180.251 1.821 10 0 ADAEMO CC(C)[N@@H+](CCF)C[C@@H](C)O 393621208 573249957 /nfs/dbraw/zinc/24/99/57/573249957.db2.gz QWDGNTLFPLIIJR-MRVPVSSYSA-N 1 1 163.236 1.047 10 0 ADAEMO C[N@H+]1CC[C@H](C2CCC(=O)CC2)C1 259049189 573248262 /nfs/dbraw/zinc/24/82/62/573248262.db2.gz AFSHIFUPKBJSPQ-JTQLQIEISA-N 1 1 181.279 1.697 10 0 ADAEMO Cc1nc([C@H](C)[NH2+][C@@H](C)CO)co1 308321633 573248273 /nfs/dbraw/zinc/24/82/73/573248273.db2.gz BNXIMBYHDMKTES-BQBZGAKWSA-N 1 1 184.239 1.014 10 0 ADAEMO COCc1[nH]c(C(C)C)nc1C[NH3+] 82320749 573248285 /nfs/dbraw/zinc/24/82/85/573248285.db2.gz JOFDVJPGCIVNRQ-UHFFFAOYSA-N 1 1 183.255 1.138 10 0 ADAEMO Cc1ccc([C@@]2(C)CNCC[NH2+]2)cc1 259047944 573248299 /nfs/dbraw/zinc/24/82/99/573248299.db2.gz LGCGNZXPUNBACI-GFCCVEGCSA-N 1 1 190.290 1.403 10 0 ADAEMO CC(C)=C[C@@]1(O)CC[N@H+]2CCCC[C@@H]21 123903941 573248377 /nfs/dbraw/zinc/24/83/77/573248377.db2.gz YFLFVXFSIACMPE-NEPJUHHUSA-N 1 1 195.306 1.942 10 0 ADAEMO CC[C@@H](CO)C[N@@H+](C)Cc1ccc[nH]1 259048826 573248402 /nfs/dbraw/zinc/24/84/02/573248402.db2.gz RYIVKOJBRQOITK-SNVBAGLBSA-N 1 1 196.294 1.465 10 0 ADAEMO C[C@H](CO)C[N@@H+](C)CCC(C)(C)C 308322114 573248436 /nfs/dbraw/zinc/24/84/36/573248436.db2.gz BZBZTSXYYMXGDR-JTQLQIEISA-N 1 1 187.327 1.983 10 0 ADAEMO CCC(F)(F)[C@@H]1CC[N@@H+](C)C1 259048059 573248690 /nfs/dbraw/zinc/24/86/90/573248690.db2.gz UUISBWARLPRQFE-SSDOTTSWSA-N 1 1 163.211 1.983 10 0 ADAEMO CC[C@]1(O)CC[N@H+]2CCCC[C@@H]21 123904658 573249169 /nfs/dbraw/zinc/24/91/69/573249169.db2.gz KQPIZTJDLOABCP-ZJUUUORDSA-N 1 1 169.268 1.386 10 0 ADAEMO Cc1nc([C@H]2CC[N@H+](C)C2)c[nH]1 259049195 573248835 /nfs/dbraw/zinc/24/88/35/573248835.db2.gz IMNPXMNRAKXTON-QMMMGPOBSA-N 1 1 165.240 1.137 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1/C=C\CO 258248254 573248897 /nfs/dbraw/zinc/24/88/97/573248897.db2.gz QLZSSMXSELXACP-ONRRBMGISA-N 1 1 169.268 1.409 10 0 ADAEMO CC(=O)C[C@@H]1C[N@H+](C)CC1(C)C 238316779 573248980 /nfs/dbraw/zinc/24/89/80/573248980.db2.gz CBMSLLLOMRIUGV-SECBINFHSA-N 1 1 169.268 1.553 10 0 ADAEMO C[NH2+]CC[C@@H](N)c1ccc(OC)cc1 259392124 573249000 /nfs/dbraw/zinc/24/90/00/573249000.db2.gz NRLQYTXANQCYRS-LLVKDONJSA-N 1 1 194.278 1.305 10 0 ADAEMO CCc1cc(C2(C[NH3+])CCC2)n[nH]1 82872044 573249023 /nfs/dbraw/zinc/24/90/23/573249023.db2.gz ZUCAXYOYOXDCMC-UHFFFAOYSA-N 1 1 179.267 1.353 10 0 ADAEMO COCCc1[nH+]cc2n1CC[C@@H](C)C2 258245271 573249057 /nfs/dbraw/zinc/24/90/57/573249057.db2.gz MEAWYCOJONYFJA-SECBINFHSA-N 1 1 194.278 1.654 10 0 ADAEMO C1C[C@H]2[C@@H](C1)NC[C@H]1CCCC[N@@H+]21 257775692 573249088 /nfs/dbraw/zinc/24/90/88/573249088.db2.gz VFIUALILQYPGST-MXWKQRLJSA-N 1 1 180.295 1.365 10 0 ADAEMO C1C[C@H]2[C@@H](C1)[NH2+]C[C@H]1CCCCN21 257775692 573249092 /nfs/dbraw/zinc/24/90/92/573249092.db2.gz VFIUALILQYPGST-MXWKQRLJSA-N 1 1 180.295 1.365 10 0 ADAEMO CNC[C@H]([NH2+]C)c1ccc(C)cc1C 259391981 573249834 /nfs/dbraw/zinc/24/98/34/573249834.db2.gz LKVFFRYPICZFLT-LBPRGKRZSA-N 1 1 192.306 1.783 10 0 ADAEMO CCC(F)(F)[C@H]1CC[N@@H+](C)C1 259048062 573249871 /nfs/dbraw/zinc/24/98/71/573249871.db2.gz UUISBWARLPRQFE-ZETCQYMHSA-N 1 1 163.211 1.983 10 0 ADAEMO CC[C@@H]1C(=O)C[C@H]2CCCC[N@@H+]21 238317037 573250183 /nfs/dbraw/zinc/25/01/83/573250183.db2.gz AZOCNSBWWOHDGV-RKDXNWHRSA-N 1 1 167.252 1.592 10 0 ADAEMO Cc1cc(F)c(C(=O)[C@H](C)[NH3+])s1 257768971 573250131 /nfs/dbraw/zinc/25/01/31/573250131.db2.gz GVUAWHLDCMELDZ-YFKPBYRVSA-N 1 1 187.239 1.726 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1oncc1N 257983539 573250186 /nfs/dbraw/zinc/25/01/86/573250186.db2.gz BEERPNAQLRCVRI-SSDOTTSWSA-N 1 1 167.212 1.024 10 0 ADAEMO Cc1nc([C@@H]2CC[N@H+](C)C2)c[nH]1 259049190 573250181 /nfs/dbraw/zinc/25/01/81/573250181.db2.gz IMNPXMNRAKXTON-MRVPVSSYSA-N 1 1 165.240 1.137 10 0 ADAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)CO)co1 308321634 573250772 /nfs/dbraw/zinc/25/07/72/573250772.db2.gz BNXIMBYHDMKTES-NKWVEPMBSA-N 1 1 184.239 1.014 10 0 ADAEMO CC(C)[C@@H]1CC[C@@](C)([NH3+])[C@@H](N)C1 116132977 573251040 /nfs/dbraw/zinc/25/10/40/573251040.db2.gz XGOKOSVLIDVVSC-KXUCPTDWSA-N 1 1 170.300 1.487 10 0 ADAEMO Cc1cc(C)c([C@](C)([NH3+])CN)c(C)c1 259051541 573251118 /nfs/dbraw/zinc/25/11/18/573251118.db2.gz LPMBSVBDUIXUBJ-GFCCVEGCSA-N 1 1 192.306 1.744 10 0 ADAEMO C1CC[N@@H+]2[C@H](C1)CN[C@H]1CCC[C@H]12 257775693 573251166 /nfs/dbraw/zinc/25/11/66/573251166.db2.gz VFIUALILQYPGST-OUAUKWLOSA-N 1 1 180.295 1.365 10 0 ADAEMO C1CCN2[C@H](C1)C[NH2+][C@H]1CCC[C@H]12 257775693 573251170 /nfs/dbraw/zinc/25/11/70/573251170.db2.gz VFIUALILQYPGST-OUAUKWLOSA-N 1 1 180.295 1.365 10 0 ADAEMO CN[C@H]([C@@H]1CC[N@@H+](C)C1)C(F)(F)F 259050845 573251308 /nfs/dbraw/zinc/25/13/08/573251308.db2.gz AHPVJVCWHPXAFR-RNFRBKRXSA-N 1 1 196.216 1.088 10 0 ADAEMO CSCC(=O)[C@@H]1CCC[N@@H+](C)C1 259049176 573251352 /nfs/dbraw/zinc/25/13/52/573251352.db2.gz CUKOVQGYJLHXIL-MRVPVSSYSA-N 1 1 187.308 1.260 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1/C=C\CO 258248253 573251369 /nfs/dbraw/zinc/25/13/69/573251369.db2.gz QLZSSMXSELXACP-BXKUYDPTSA-N 1 1 169.268 1.409 10 0 ADAEMO CNC1=[NH+][C@H]2CCCC[C@@]2(C)O1 238318423 573252479 /nfs/dbraw/zinc/25/24/79/573252479.db2.gz HSRKZUSMMJCDKU-IONNQARKSA-N 1 1 168.240 1.293 10 0 ADAEMO CC(C)c1cc(CC(C)(C)[NH3+])n[nH]1 82874483 573253655 /nfs/dbraw/zinc/25/36/55/573253655.db2.gz MMDNIUPLGBADLX-UHFFFAOYSA-N 1 1 181.283 1.813 10 0 ADAEMO [NH3+]Cc1nc(-c2ccc(Cl)o2)no1 257979750 573252299 /nfs/dbraw/zinc/25/22/99/573252299.db2.gz KTPJSJXYURULJW-UHFFFAOYSA-N 1 1 199.597 1.442 10 0 ADAEMO C[C@@H]1CC[C@H](N[C@@H]2C[C@@H]2C2CC2)C[NH2+]1 716644918 573252300 /nfs/dbraw/zinc/25/23/00/573252300.db2.gz LKZAKAURGRZCOA-SASUGWTJSA-N 1 1 194.322 1.515 10 0 ADAEMO CCC[C@@H]([NH+](C)C)C1(CN)CC1 259391700 573252334 /nfs/dbraw/zinc/25/23/34/573252334.db2.gz GZSFAZCROUAVPP-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[N@@H+](CCCO)[C@@H]1CC[C@H](C)C1 308328202 573252337 /nfs/dbraw/zinc/25/23/37/573252337.db2.gz GZOGDIKZWGBCSR-WDEREUQCSA-N 1 1 185.311 1.879 10 0 ADAEMO CNC1=[NH+][C@H]2CCCC[C@]2(C)O1 238318445 573252392 /nfs/dbraw/zinc/25/23/92/573252392.db2.gz HSRKZUSMMJCDKU-CBAPKCEASA-N 1 1 168.240 1.293 10 0 ADAEMO Cc1ccc([C@H]2[NH2+]C[C@H](C)O2)o1 258252054 573252393 /nfs/dbraw/zinc/25/23/93/573252393.db2.gz AOZWPISNZOSKRA-CBAPKCEASA-N 1 1 167.208 1.595 10 0 ADAEMO CC[C@H](CN)[N@@H+](CC)[C@@H](C)COC 42743329 573252397 /nfs/dbraw/zinc/25/23/97/573252397.db2.gz WXAPJHZUDRNLBQ-VHSXEESVSA-N 1 1 188.315 1.081 10 0 ADAEMO CC[C@H](C[NH3+])N(CC)[C@@H](C)COC 42743329 573252419 /nfs/dbraw/zinc/25/24/19/573252419.db2.gz WXAPJHZUDRNLBQ-VHSXEESVSA-N 1 1 188.315 1.081 10 0 ADAEMO CCC[C@]1(O)CC[N@H+]2CCCC[C@@H]21 123910969 573252468 /nfs/dbraw/zinc/25/24/68/573252468.db2.gz IDOLYZYWQZOTNH-MNOVXSKESA-N 1 1 183.295 1.776 10 0 ADAEMO C[NH2+][C@H](c1ccc(C)cc1)C(C)(C)N 259391959 573252548 /nfs/dbraw/zinc/25/25/48/573252548.db2.gz LKRNIONWKHPFRK-LLVKDONJSA-N 1 1 192.306 1.993 10 0 ADAEMO CC[C@H]1NCC[C@@H]2CCCC[N@@H+]21 238317691 573252568 /nfs/dbraw/zinc/25/25/68/573252568.db2.gz GBUZYSJAMHHKGI-UWVGGRQHSA-N 1 1 168.284 1.570 10 0 ADAEMO C[C@@H]1CC[C@H](N[C@H]2C[C@H]2C2CC2)C[NH2+]1 716644916 573252591 /nfs/dbraw/zinc/25/25/91/573252591.db2.gz LKZAKAURGRZCOA-QTKMDUPCSA-N 1 1 194.322 1.515 10 0 ADAEMO Cc1ccc([C@H]2[NH2+]C[C@@H](C)O2)o1 258252039 573252627 /nfs/dbraw/zinc/25/26/27/573252627.db2.gz AOZWPISNZOSKRA-APPZFPTMSA-N 1 1 167.208 1.595 10 0 ADAEMO CNC[C@@H]([NH2+]C)c1ccc(C)cc1C 259391976 573252673 /nfs/dbraw/zinc/25/26/73/573252673.db2.gz LKVFFRYPICZFLT-GFCCVEGCSA-N 1 1 192.306 1.783 10 0 ADAEMO Cc1ccc([C@@](C)(N)C[NH3+])cc1 259052876 573253040 /nfs/dbraw/zinc/25/30/40/573253040.db2.gz LTEJOITYGPXLEA-JTQLQIEISA-N 1 1 164.252 1.128 10 0 ADAEMO c1cc2[nH]nnc2cc1[C@H]1CCC[NH2+]1 82880499 573252855 /nfs/dbraw/zinc/25/28/55/573252855.db2.gz LASJFRTXWSHGAV-MRVPVSSYSA-N 1 1 188.234 1.382 10 0 ADAEMO c1cc2nn[nH]c2cc1[C@H]1CCC[NH2+]1 82880499 573252858 /nfs/dbraw/zinc/25/28/58/573252858.db2.gz LASJFRTXWSHGAV-MRVPVSSYSA-N 1 1 188.234 1.382 10 0 ADAEMO CCC[N@H+]1CC[NH2+]C(C)(C)CC1 259391685 573252867 /nfs/dbraw/zinc/25/28/67/573252867.db2.gz WYJXDSRIQSLEHF-UHFFFAOYSA-N 1 1 170.300 1.470 10 0 ADAEMO CCC[N@@H+]1CCNC(C)(C)CC1 259391685 573252872 /nfs/dbraw/zinc/25/28/72/573252872.db2.gz WYJXDSRIQSLEHF-UHFFFAOYSA-N 1 1 170.300 1.470 10 0 ADAEMO CCC[N@H+]1CCNC(C)(C)CC1 259391685 573252875 /nfs/dbraw/zinc/25/28/75/573252875.db2.gz WYJXDSRIQSLEHF-UHFFFAOYSA-N 1 1 170.300 1.470 10 0 ADAEMO Cc1cc(C(=O)CC[NH3+])c(F)cc1O 257979215 573252888 /nfs/dbraw/zinc/25/28/88/573252888.db2.gz DNYHWQKGUUTKQB-UHFFFAOYSA-N 1 1 197.209 1.371 10 0 ADAEMO Cc1ccc([C@@H]2[NH2+]C[C@@H](C)O2)o1 258252076 573252891 /nfs/dbraw/zinc/25/28/91/573252891.db2.gz AOZWPISNZOSKRA-VXNVDRBHSA-N 1 1 167.208 1.595 10 0 ADAEMO CC[C@H]1CC[N@H+](C[C@@H](N)CC2CC2)C1 308529744 573253227 /nfs/dbraw/zinc/25/32/27/573253227.db2.gz JWJOJMHLTPJQPX-JQWIXIFHSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@H]1CC[N@@H+](C[C@@H](N)CC2CC2)C1 308529744 573253233 /nfs/dbraw/zinc/25/32/33/573253233.db2.gz JWJOJMHLTPJQPX-JQWIXIFHSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)[N@@H+](CCF)C[C@H](C)O 393621210 573253369 /nfs/dbraw/zinc/25/33/69/573253369.db2.gz QWDGNTLFPLIIJR-QMMMGPOBSA-N 1 1 163.236 1.047 10 0 ADAEMO CC[N@@H+](CCCO)[C@H]1CC[C@H](C)C1 308328201 573254039 /nfs/dbraw/zinc/25/40/39/573254039.db2.gz GZOGDIKZWGBCSR-QWRGUYRKSA-N 1 1 185.311 1.879 10 0 ADAEMO CC[C@H](O)C[N@@H+](C)[C@@H]1CC[C@H](C)C1 308328969 573254097 /nfs/dbraw/zinc/25/40/97/573254097.db2.gz HPFNLDMAGHNJCK-AXFHLTTASA-N 1 1 185.311 1.878 10 0 ADAEMO CC[C@@H](O)C[N@@H+](CC)[C@@H](C)COC 42778343 573254215 /nfs/dbraw/zinc/25/42/15/573254215.db2.gz FCMABRHBFGLNTL-VHSXEESVSA-N 1 1 189.299 1.114 10 0 ADAEMO Cc1ccc([C@](C)(N)C[NH3+])cc1 259052880 573254261 /nfs/dbraw/zinc/25/42/61/573254261.db2.gz LTEJOITYGPXLEA-SNVBAGLBSA-N 1 1 164.252 1.128 10 0 ADAEMO c1cc2[nH]nnc2cc1[C@@H]1CCC[NH2+]1 82880496 573254357 /nfs/dbraw/zinc/25/43/57/573254357.db2.gz LASJFRTXWSHGAV-QMMMGPOBSA-N 1 1 188.234 1.382 10 0 ADAEMO c1cc2nn[nH]c2cc1[C@@H]1CCC[NH2+]1 82880496 573254366 /nfs/dbraw/zinc/25/43/66/573254366.db2.gz LASJFRTXWSHGAV-QMMMGPOBSA-N 1 1 188.234 1.382 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC)[C@@H](C2CC2)CN1 223951048 573254467 /nfs/dbraw/zinc/25/44/67/573254467.db2.gz YOEZHUPWRJBSFN-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H]1CN(CC)[C@@H](C2CC2)C[NH2+]1 223951048 573254472 /nfs/dbraw/zinc/25/44/72/573254472.db2.gz YOEZHUPWRJBSFN-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H]1C[N@@H+](CC)[C@@H](C2CC2)CN1 223951096 573254528 /nfs/dbraw/zinc/25/45/28/573254528.db2.gz YOEZHUPWRJBSFN-WDEREUQCSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H]1CN(CC)[C@@H](C2CC2)C[NH2+]1 223951096 573254531 /nfs/dbraw/zinc/25/45/31/573254531.db2.gz YOEZHUPWRJBSFN-WDEREUQCSA-N 1 1 182.311 1.469 10 0 ADAEMO CNc1nc([C@H]2CC[N@@H+](C)C2)c(C)o1 259055839 573254564 /nfs/dbraw/zinc/25/45/64/573254564.db2.gz GRXXJIIRVRGZLD-QMMMGPOBSA-N 1 1 195.266 1.444 10 0 ADAEMO CC(=O)OCC[C@H]1CCCC[N@@H+]1C 308328049 573254571 /nfs/dbraw/zinc/25/45/71/573254571.db2.gz GXEHHOZYTTYSBF-SNVBAGLBSA-N 1 1 185.267 1.424 10 0 ADAEMO C[C@@H](CC(N)=S)[N@H+]1CC[C@H](F)C1 689882674 573254614 /nfs/dbraw/zinc/25/46/14/573254614.db2.gz GGGJHNKBLLQYRK-BQBZGAKWSA-N 1 1 190.287 1.095 10 0 ADAEMO CC[C@@H]1CC[N@H+](C[C@H](N)CC2CC2)C1 308529750 573254654 /nfs/dbraw/zinc/25/46/54/573254654.db2.gz JWJOJMHLTPJQPX-ZYHUDNBSSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@@H]1CC[N@@H+](C[C@H](N)CC2CC2)C1 308529750 573254659 /nfs/dbraw/zinc/25/46/59/573254659.db2.gz JWJOJMHLTPJQPX-ZYHUDNBSSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[N@@H+](CCCO)[C@@H]1CC[C@@H](C)C1 308328199 573254676 /nfs/dbraw/zinc/25/46/76/573254676.db2.gz GZOGDIKZWGBCSR-GHMZBOCLSA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@@H](CC(N)=S)[N@H+]1CC[C@@H](F)C1 689882677 573254774 /nfs/dbraw/zinc/25/47/74/573254774.db2.gz 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C[C@@H](O)CC[N@@H+](C)[C@H]1CCCC(=O)C1 253028222 573264118 /nfs/dbraw/zinc/26/41/18/573264118.db2.gz PCSBCNADPZXTCX-ZJUUUORDSA-N 1 1 199.294 1.201 10 0 ADAEMO CC1(c2[nH]cc[nH+]2)CC1 116344638 573264316 /nfs/dbraw/zinc/26/43/16/573264316.db2.gz GUXIRHGZIZSWFC-UHFFFAOYSA-N 1 1 122.171 1.461 10 0 ADAEMO C[N@@H+]1CC=C(CCCC[NH3+])CC1 258267658 573264360 /nfs/dbraw/zinc/26/43/60/573264360.db2.gz YTTHQNIRHAEORN-UHFFFAOYSA-N 1 1 168.284 1.377 10 0 ADAEMO CC(C)(C)C[C@H](N)C[NH2+]C1CC1 258266057 573264443 /nfs/dbraw/zinc/26/44/43/573264443.db2.gz UIUQCHNVGBUWCA-QMMMGPOBSA-N 1 1 170.300 1.502 10 0 ADAEMO [NH3+][C@@H]1C=C[C@@H](c2n[nH]c(C3CC3)n2)C1 86088818 573264487 /nfs/dbraw/zinc/26/44/87/573264487.db2.gz GUVVSICQXPCUOT-HTQZYQBOSA-N 1 1 190.250 1.053 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1Cc1cc(N)n[nH]1 259400886 573264554 /nfs/dbraw/zinc/26/45/54/573264554.db2.gz XHAOEBAWCCXBJS-SECBINFHSA-N 1 1 194.282 1.019 10 0 ADAEMO C[N@@H+]1CC=C(c2cc[nH]c(=O)c2)CC1 142464876 573264590 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1.112 10 0 ADAEMO COCC(C)(C)N(C)CC(C)(C)[NH3+] 308336234 573268005 /nfs/dbraw/zinc/26/80/05/573268005.db2.gz OAETVOWIFINRCR-UHFFFAOYSA-N 1 1 188.315 1.081 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1cc(CO)no1 259400458 573268057 /nfs/dbraw/zinc/26/80/57/573268057.db2.gz XETCRXVDVHEAAM-VIFPVBQESA-N 1 1 196.250 1.324 10 0 ADAEMO CC(C)[N@H+]1CCC=C(C[C@@H](C)O)C1 258267719 573268065 /nfs/dbraw/zinc/26/80/65/573268065.db2.gz YUDKFWMIHAHZSS-SNVBAGLBSA-N 1 1 183.295 1.798 10 0 ADAEMO COC[NH2+]Cc1ccccc1F 259063845 573268085 /nfs/dbraw/zinc/26/80/85/573268085.db2.gz LEYKZGCJMSFVDQ-UHFFFAOYSA-N 1 1 169.199 1.519 10 0 ADAEMO Nc1cc2c(nn1)[C@H]1CCCC[N@H+]1C2 123935280 573268094 /nfs/dbraw/zinc/26/80/94/573268094.db2.gz LPGRUAGHEAYISC-MRVPVSSYSA-N 1 1 190.250 1.099 10 0 ADAEMO CNc1ccnc(C[NH+]2CCCC2)c1 86134376 573269150 /nfs/dbraw/zinc/26/91/50/573269150.db2.gz DYODQUDOLDMHGI-UHFFFAOYSA-N 1 1 191.278 1.719 10 0 ADAEMO C[N@@H+]1CCC[C@H]1c1ncc(CO)s1 258148167 573268143 /nfs/dbraw/zinc/26/81/43/573268143.db2.gz 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258615105 573268409 /nfs/dbraw/zinc/26/84/09/573268409.db2.gz BARDCIQZEGNILO-UHFFFAOYSA-N 1 1 169.268 1.697 10 0 ADAEMO CCC[N@H+]1CCC(C)(C)C(=O)C1 258615105 573268415 /nfs/dbraw/zinc/26/84/15/573268415.db2.gz BARDCIQZEGNILO-UHFFFAOYSA-N 1 1 169.268 1.697 10 0 ADAEMO CCCC(=O)C[N@H+](C)C[C@H]1CCCO1 50184192 573268509 /nfs/dbraw/zinc/26/85/09/573268509.db2.gz IXJYIRWVRGUBPV-LLVKDONJSA-N 1 1 199.294 1.466 10 0 ADAEMO CCCC(=O)C[N@@H+](C)C[C@H]1CCCO1 50184192 573268510 /nfs/dbraw/zinc/26/85/10/573268510.db2.gz IXJYIRWVRGUBPV-LLVKDONJSA-N 1 1 199.294 1.466 10 0 ADAEMO CCCC(=O)C[N@H+](C)C[C@@H]1CCCO1 50184191 573268609 /nfs/dbraw/zinc/26/86/09/573268609.db2.gz IXJYIRWVRGUBPV-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO CCCC(=O)C[N@@H+](C)C[C@@H]1CCCO1 50184191 573268613 /nfs/dbraw/zinc/26/86/13/573268613.db2.gz IXJYIRWVRGUBPV-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO C[N@H+]1CCC[C@@H](C2(C)COC2)C1 259061957 573268735 /nfs/dbraw/zinc/26/87/35/573268735.db2.gz JROVJDIONAVCNO-SECBINFHSA-N 1 1 169.268 1.365 10 0 ADAEMO C[N@H+]1CC[C@H](c2ncc(CO)s2)C1 258152670 573268821 /nfs/dbraw/zinc/26/88/21/573268821.db2.gz QPPQHQKAOFDHQP-ZETCQYMHSA-N 1 1 198.291 1.055 10 0 ADAEMO C[C@]1(c2ccc(O)cc2)[NH2+]CCC1=O 257985786 573268827 /nfs/dbraw/zinc/26/88/27/573268827.db2.gz AORAJNBERBGHCS-LLVKDONJSA-N 1 1 191.230 1.170 10 0 ADAEMO C[N@H+]1CC[C@@H](c2ncc(CO)s2)C1 258152667 573268968 /nfs/dbraw/zinc/26/89/68/573268968.db2.gz QPPQHQKAOFDHQP-SSDOTTSWSA-N 1 1 198.291 1.055 10 0 ADAEMO C[C@@H]1CC[N@H+](Cc2cc(N)ccn2)C1 86134547 573269020 /nfs/dbraw/zinc/26/90/20/573269020.db2.gz YGRJDPCHECAFCS-SECBINFHSA-N 1 1 191.278 1.506 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2cc(N)ccn2)C1 86134547 573269028 /nfs/dbraw/zinc/26/90/28/573269028.db2.gz YGRJDPCHECAFCS-SECBINFHSA-N 1 1 191.278 1.506 10 0 ADAEMO CCCc1cn2c([nH+]1)CCC[C@@H]2CO 258275053 573269031 /nfs/dbraw/zinc/26/90/31/573269031.db2.gz IKNJUFZTIOMCJL-SNVBAGLBSA-N 1 1 194.278 1.705 10 0 ADAEMO C[C@@H]1CCN(Cc2cc(N)cc[nH+]2)C1 86134547 573269037 /nfs/dbraw/zinc/26/90/37/573269037.db2.gz YGRJDPCHECAFCS-SECBINFHSA-N 1 1 191.278 1.506 10 0 ADAEMO CSCC[C@@H](O)[C@@H]1CC[N@@H+](C)C1 259060032 573269064 /nfs/dbraw/zinc/26/90/64/573269064.db2.gz GVVLOJFPNSHQHU-RKDXNWHRSA-N 1 1 189.324 1.052 10 0 ADAEMO CC[N@H+]1CC[C@H](/C=C\CCO)C1 258269137 573269378 /nfs/dbraw/zinc/26/93/78/573269378.db2.gz RTDWEUSQCVQHKK-ATPLWMGHSA-N 1 1 169.268 1.267 10 0 ADAEMO CCC(=O)C[N@H+]1CCCC[C@H]1CCO 50180233 573269491 /nfs/dbraw/zinc/26/94/91/573269491.db2.gz RDJNWIRTAWLDQE-JTQLQIEISA-N 1 1 199.294 1.202 10 0 ADAEMO O=Cc1coc([C@@H]2CCCC[NH2+]2)n1 258272964 573269546 /nfs/dbraw/zinc/26/95/46/573269546.db2.gz XWLRZJJBRLKSGR-QMMMGPOBSA-N 1 1 180.207 1.302 10 0 ADAEMO CCC(=O)C[N@@H+](CC)CC(C)C 50179769 573269557 /nfs/dbraw/zinc/26/95/57/573269557.db2.gz LLLXDSJKUZNSGQ-UHFFFAOYSA-N 1 1 171.284 1.943 10 0 ADAEMO CCC(=O)C[N@H+](C)C[C@@H]1CCCO1 50179941 573269594 /nfs/dbraw/zinc/26/95/94/573269594.db2.gz LEQMMVLLPRTJDV-JTQLQIEISA-N 1 1 185.267 1.076 10 0 ADAEMO CCC(=O)C[N@@H+](C)C[C@@H]1CCCO1 50179941 573269600 /nfs/dbraw/zinc/26/96/00/573269600.db2.gz LEQMMVLLPRTJDV-JTQLQIEISA-N 1 1 185.267 1.076 10 0 ADAEMO C[N@H+]1CC[C@@H](c2nc(CO)cs2)C1 258141798 573269691 /nfs/dbraw/zinc/26/96/91/573269691.db2.gz PWCLGQYQGMDUFS-SSDOTTSWSA-N 1 1 198.291 1.055 10 0 ADAEMO CC(C)CC[C@@H](C1CC1)[NH+]1CC(N)C1 308532058 573269701 /nfs/dbraw/zinc/26/97/01/573269701.db2.gz KLTGGQMCCMPAHU-LBPRGKRZSA-N 1 1 196.338 1.844 10 0 ADAEMO CCC(=O)C[N@H+](C)C[C@@H]1CCCCO1 50179945 573269714 /nfs/dbraw/zinc/26/97/14/573269714.db2.gz NRNFJLAPYCVYJX-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO CCC(=O)C[N@@H+](C)C[C@@H]1CCCCO1 50179945 573269719 /nfs/dbraw/zinc/26/97/19/573269719.db2.gz NRNFJLAPYCVYJX-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO C[N@H+]1CC[C@H](c2nc(CO)cs2)C1 258141802 573269809 /nfs/dbraw/zinc/26/98/09/573269809.db2.gz PWCLGQYQGMDUFS-ZETCQYMHSA-N 1 1 198.291 1.055 10 0 ADAEMO C[NH2+][C@H](C)c1c(O)cc(C)[nH]c1=O 238328901 573269837 /nfs/dbraw/zinc/26/98/37/573269837.db2.gz PIWDIOKMJUKATA-ZCFIWIBFSA-N 1 1 182.223 1.082 10 0 ADAEMO C[C@]1([NH+]2CCC(=O)CC2)CCCOC1 235750987 573269854 /nfs/dbraw/zinc/26/98/54/573269854.db2.gz FDDJHCHNLDGQKO-NSHDSACASA-N 1 1 197.278 1.220 10 0 ADAEMO N[C@]1(C(F)F)CC[N@H+]2CCCC[C@H]21 123943957 573269869 /nfs/dbraw/zinc/26/98/69/573269869.db2.gz LYGGCPQVALFDHA-IONNQARKSA-N 1 1 190.237 1.207 10 0 ADAEMO CC[N@H+]1CC[C@@H](/C=C\CCO)C1 258269138 573269897 /nfs/dbraw/zinc/26/98/97/573269897.db2.gz RTDWEUSQCVQHKK-TZGMSPROSA-N 1 1 169.268 1.267 10 0 ADAEMO Nc1ccnc(C[NH+]2CCCC2)c1 86134375 573269996 /nfs/dbraw/zinc/26/99/96/573269996.db2.gz SERRNTXBCGTYLX-UHFFFAOYSA-N 1 1 177.251 1.260 10 0 ADAEMO CCCC(=O)C[N@H+]1CCCC[C@@H]1CO 50184483 573270016 /nfs/dbraw/zinc/27/00/16/573270016.db2.gz WSQXDDOMHJZVHM-SNVBAGLBSA-N 1 1 199.294 1.202 10 0 ADAEMO C[C@H]1CC[N@H+](Cc2cc(N)ccn2)C1 86134548 573270038 /nfs/dbraw/zinc/27/00/38/573270038.db2.gz YGRJDPCHECAFCS-VIFPVBQESA-N 1 1 191.278 1.506 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2cc(N)ccn2)C1 86134548 573270042 /nfs/dbraw/zinc/27/00/42/573270042.db2.gz YGRJDPCHECAFCS-VIFPVBQESA-N 1 1 191.278 1.506 10 0 ADAEMO C[C@H]1CCN(Cc2cc(N)cc[nH+]2)C1 86134548 573270049 /nfs/dbraw/zinc/27/00/49/573270049.db2.gz YGRJDPCHECAFCS-VIFPVBQESA-N 1 1 191.278 1.506 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@H]2NC(C)(C)CO2)C1 258272461 573270087 /nfs/dbraw/zinc/27/00/87/573270087.db2.gz BHHLDXLRBALVJE-UWVGGRQHSA-N 1 1 198.310 1.053 10 0 ADAEMO CCC(=O)C[N@@H+](C)CC(C)(C)C 50180116 573270146 /nfs/dbraw/zinc/27/01/46/573270146.db2.gz YXLDPOFAFMWQRB-UHFFFAOYSA-N 1 1 171.284 1.943 10 0 ADAEMO CCC(=O)C[N@H+](C)C[C@H]1CCCO1 50179942 573270619 /nfs/dbraw/zinc/27/06/19/573270619.db2.gz LEQMMVLLPRTJDV-SNVBAGLBSA-N 1 1 185.267 1.076 10 0 ADAEMO CCC(=O)C[N@@H+](C)C[C@H]1CCCO1 50179942 573270624 /nfs/dbraw/zinc/27/06/24/573270624.db2.gz LEQMMVLLPRTJDV-SNVBAGLBSA-N 1 1 185.267 1.076 10 0 ADAEMO CCC[N@@H+](CC(=O)CC)C1CC1 50179752 573270527 /nfs/dbraw/zinc/27/05/27/573270527.db2.gz 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[NH3+][C@H]1CCC[C@@H]1c1nc(C2CC2)n[nH]1 82919180 573275093 /nfs/dbraw/zinc/27/50/93/573275093.db2.gz MGWCTBIEDAMTAH-YUMQZZPRSA-N 1 1 192.266 1.277 10 0 ADAEMO CCC(=O)C[N@@H+](C)C1CCCC1 50179741 573275001 /nfs/dbraw/zinc/27/50/01/573275001.db2.gz IBIOWTSFTQFESM-UHFFFAOYSA-N 1 1 169.268 1.840 10 0 ADAEMO C[NH2+][C@H]1CCCC[C@@]12CCCN2C 238331467 573275072 /nfs/dbraw/zinc/27/50/72/573275072.db2.gz NTGIHCUGCBFXHP-WDEREUQCSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@H]1C[C@@](O)(CC2CC2)C[N@H+]1C 123951676 573275333 /nfs/dbraw/zinc/27/53/33/573275333.db2.gz MKKOJSQWBFBGOE-WCBMZHEXSA-N 1 1 169.268 1.242 10 0 ADAEMO CCc1cc(F)cc2[nH]c(N)[nH+]c12 238330638 573275517 /nfs/dbraw/zinc/27/55/17/573275517.db2.gz PRMFWQQGKFUNGU-UHFFFAOYSA-N 1 1 179.198 1.847 10 0 ADAEMO CCc1n[nH]c([C@@H]2CCCC[C@@H]2[NH3+])n1 82919150 573275573 /nfs/dbraw/zinc/27/55/73/573275573.db2.gz IKYSKQLIDSLXCL-SFYZADRCSA-N 1 1 194.282 1.352 10 0 ADAEMO CCc1nc([C@@H]2CCCC[C@@H]2[NH3+])n[nH]1 82919150 573275578 /nfs/dbraw/zinc/27/55/78/573275578.db2.gz IKYSKQLIDSLXCL-SFYZADRCSA-N 1 1 194.282 1.352 10 0 ADAEMO C[N@H+]1CC=C(CO)[C@@H]1c1ccccc1 238330815 573275609 /nfs/dbraw/zinc/27/56/09/573275609.db2.gz ZOLLLQSMVXGIER-LBPRGKRZSA-N 1 1 189.258 1.592 10 0 ADAEMO Cc1nnc([C@H]2CCCC[C@@H]2[NH3+])[nH]1 82919143 573275680 /nfs/dbraw/zinc/27/56/80/573275680.db2.gz KKMFNOSPLGJETN-YUMQZZPRSA-N 1 1 180.255 1.098 10 0 ADAEMO Cc1nc([C@H]2CCCC[C@@H]2[NH3+])n[nH]1 82919143 573275687 /nfs/dbraw/zinc/27/56/87/573275687.db2.gz KKMFNOSPLGJETN-YUMQZZPRSA-N 1 1 180.255 1.098 10 0 ADAEMO Cc1cc[nH+]c2c1NC(=O)C[C@H](C)N2 86160599 573275693 /nfs/dbraw/zinc/27/56/93/573275693.db2.gz RYPFDTRPICWVQN-ZETCQYMHSA-N 1 1 191.234 1.533 10 0 ADAEMO CC(C)C[C@@H]1CNC[C@H](C2CC2)[N@H+]1C 74240794 573279852 /nfs/dbraw/zinc/27/98/52/573279852.db2.gz RGLAMSRKKYCLPE-VXGBXAGGSA-N 1 1 196.338 1.715 10 0 ADAEMO Cc1cc[nH+]c2c1NC(=O)[C@@H](C)CN2 86160618 573277155 /nfs/dbraw/zinc/27/71/55/573277155.db2.gz OGGVQZBHNAGMRJ-ZETCQYMHSA-N 1 1 191.234 1.390 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+]C[C@H](C2CC2)N1C 74240794 573279858 /nfs/dbraw/zinc/27/98/58/573279858.db2.gz RGLAMSRKKYCLPE-VXGBXAGGSA-N 1 1 196.338 1.715 10 0 ADAEMO CCCc1nc([C@H]2CCC[C@@H]2[NH3+])n[nH]1 82919171 573277205 /nfs/dbraw/zinc/27/72/05/573277205.db2.gz AQSFGKBVXSRLFE-YUMQZZPRSA-N 1 1 194.282 1.352 10 0 ADAEMO CCCc1n[nH]c([C@H]2CCC[C@@H]2[NH3+])n1 82919171 573277198 /nfs/dbraw/zinc/27/71/98/573277198.db2.gz AQSFGKBVXSRLFE-YUMQZZPRSA-N 1 1 194.282 1.352 10 0 ADAEMO C[N@H+]1CCC[C@](O)(CC2CC2)C1 123951911 573277130 /nfs/dbraw/zinc/27/71/30/573277130.db2.gz VLMMJCRUPJEWAX-JTQLQIEISA-N 1 1 169.268 1.243 10 0 ADAEMO CC(C)C[C@@H]1CNC[C@@H](C2CC2)[N@H+]1C 74240796 573277002 /nfs/dbraw/zinc/27/70/02/573277002.db2.gz RGLAMSRKKYCLPE-NEPJUHHUSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+]C[C@@H](C2CC2)N1C 74240796 573277005 /nfs/dbraw/zinc/27/70/05/573277005.db2.gz RGLAMSRKKYCLPE-NEPJUHHUSA-N 1 1 196.338 1.715 10 0 ADAEMO CCCC(=O)C[N@H+]1CC[C@@](C)(OC)C1 308536533 573278798 /nfs/dbraw/zinc/27/87/98/573278798.db2.gz RZSDXHUPMJNDGM-LLVKDONJSA-N 1 1 199.294 1.466 10 0 ADAEMO Cc1scnc1[C@@H]1C[NH2+]CCC1=O 74241431 573278117 /nfs/dbraw/zinc/27/81/17/573278117.db2.gz JUMJHNHJZKVHLZ-SSDOTTSWSA-N 1 1 196.275 1.098 10 0 ADAEMO Cc1cc[nH+]c2c1NC(=O)[C@H](C)CN2 86160617 573278908 /nfs/dbraw/zinc/27/89/08/573278908.db2.gz OGGVQZBHNAGMRJ-SSDOTTSWSA-N 1 1 191.234 1.390 10 0 ADAEMO CCC[N@@H+]1C[C@H](NC)CCC1(C)C 259399819 573278158 /nfs/dbraw/zinc/27/81/58/573278158.db2.gz MDMKZGHQWZYQSQ-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO C[C@]1(c2cnc(C[NH3+])o2)CCCCO1 257991850 573278162 /nfs/dbraw/zinc/27/81/62/573278162.db2.gz FKSLFVOVVFURAD-SNVBAGLBSA-N 1 1 196.250 1.549 10 0 ADAEMO CCC[N@H+]1C[C@H](NC)CCC1(C)C 259399819 573278165 /nfs/dbraw/zinc/27/81/65/573278165.db2.gz MDMKZGHQWZYQSQ-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO [NH3+][C@@H](CN1CCCCC1)C1CCCC1 74240768 573278398 /nfs/dbraw/zinc/27/83/98/573278398.db2.gz LDUYNFVNULIPCM-LBPRGKRZSA-N 1 1 196.338 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1.202 10 0 ADAEMO CC[C@@](C)(C(C)=O)[N@H+]1CC[C@H](OC)C1 308537845 573285863 /nfs/dbraw/zinc/28/58/63/573285863.db2.gz LSFOWCKTKAVODH-QWRGUYRKSA-N 1 1 199.294 1.465 10 0 ADAEMO CC(C)C[N@H+]1CCNCC12CCCC2 82927414 573285876 /nfs/dbraw/zinc/28/58/76/573285876.db2.gz CQPFWVVABAOBFK-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)c1nc(Cl)c2c(n1)C[NH2+]C2 257992238 573285878 /nfs/dbraw/zinc/28/58/78/573285878.db2.gz FNSRXGPLDLIOGY-UHFFFAOYSA-N 1 1 197.669 1.857 10 0 ADAEMO C[C@H]1CCCc2c[nH+]c(CCO)n21 258280222 573285891 /nfs/dbraw/zinc/28/58/91/573285891.db2.gz NQSSTIJXZUOGRA-QMMMGPOBSA-N 1 1 180.251 1.315 10 0 ADAEMO CC[C@@]1(C)CN(CC(C)C)CC[NH2+]1 82925876 573285991 /nfs/dbraw/zinc/28/59/91/573285991.db2.gz FEYARZUDJJJHQD-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CC[N@@H+]1CCN[C@](C)(C2CC2)C1 82926220 573285940 /nfs/dbraw/zinc/28/59/40/573285940.db2.gz SVQITSQAAPARAY-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO CC[N@H+]1CCN[C@](C)(C2CC2)C1 82926220 573285944 /nfs/dbraw/zinc/28/59/44/573285944.db2.gz SVQITSQAAPARAY-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO CC[C@H](C)[C@H]1C[N@H+](C(C)C)CCN1 82926366 573287244 /nfs/dbraw/zinc/28/72/44/573287244.db2.gz OKJMEAGLAIGRBN-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[C@@H](O)C[N@@H+](C)C1CC1 50193284 573289505 /nfs/dbraw/zinc/28/95/05/573289505.db2.gz PABGCRHPSMXFGJ-SECBINFHSA-N 1 1 157.257 1.242 10 0 ADAEMO CC[C@]1(C)C[N@H+](C(C)C)CCN1 82925942 573289506 /nfs/dbraw/zinc/28/95/06/573289506.db2.gz FQZFMFKVSHDJQV-SNVBAGLBSA-N 1 1 170.300 1.469 10 0 ADAEMO Cn1cnc([C@H]([NH3+])C2=CCCCO2)c1 236101307 573287247 /nfs/dbraw/zinc/28/72/47/573287247.db2.gz UKSKYEHRKGUXAF-JTQLQIEISA-N 1 1 193.250 1.114 10 0 ADAEMO CC[C@@]1(C)CNCC[N@H+]1CC1CC1 82927218 573289551 /nfs/dbraw/zinc/28/95/51/573289551.db2.gz FLRVQXRDABPXSG-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@@H](C)[C@H]1C[N@H+](CC)CCN1 82926326 573286591 /nfs/dbraw/zinc/28/65/91/573286591.db2.gz MVGVVXZDCTYHBG-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@@H](C)[C@H]1C[N@@H+](CC)CCN1 82926326 573286599 /nfs/dbraw/zinc/28/65/99/573286599.db2.gz MVGVVXZDCTYHBG-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO CCC[C@H]1CN[C@H](C(C)C)C[N@@H+]1C 82926731 573286653 /nfs/dbraw/zinc/28/66/53/573286653.db2.gz CKUZLWZBISCGHI-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CC1(C)CCc2nc(CC[NH3+])[nH]c2C1 74247573 573286654 /nfs/dbraw/zinc/28/66/54/573286654.db2.gz ZQNDNYSCNUBGRA-UHFFFAOYSA-N 1 1 193.294 1.426 10 0 ADAEMO CCC[C@H]1CN[C@H](C(C)C)C[N@H+]1C 82926731 573286658 /nfs/dbraw/zinc/28/66/58/573286658.db2.gz CKUZLWZBISCGHI-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1C 82926567 573287274 /nfs/dbraw/zinc/28/72/74/573287274.db2.gz AFCBABMFEUWHQN-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO C1C[N@H+](CC2CC2)C[C@@H](C2CC2)N1 82925573 573286672 /nfs/dbraw/zinc/28/66/72/573286672.db2.gz OBNAQACNNSCYDI-NSHDSACASA-N 1 1 180.295 1.080 10 0 ADAEMO C1CN(CC2CC2)C[C@@H](C2CC2)[NH2+]1 82925573 573286678 /nfs/dbraw/zinc/28/66/78/573286678.db2.gz OBNAQACNNSCYDI-NSHDSACASA-N 1 1 180.295 1.080 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](CC2CC2)[C@@H](C)CN1 82926493 573286691 /nfs/dbraw/zinc/28/66/91/573286691.db2.gz UFDCXNWECDVFRY-JQWIXIFHSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@@H]1CN(CC2CC2)[C@@H](C)C[NH2+]1 82926493 573286701 /nfs/dbraw/zinc/28/67/01/573286701.db2.gz UFDCXNWECDVFRY-JQWIXIFHSA-N 1 1 196.338 1.715 10 0 ADAEMO Cc1n[nH]cc1[C@H]1CC(=O)C[C@@H](C)[NH2+]1 74248106 573286709 /nfs/dbraw/zinc/28/67/09/573286709.db2.gz ZGFKTUYIFDCTJQ-LHLIQPBNSA-N 1 1 193.250 1.100 10 0 ADAEMO CCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C 82926567 573287277 /nfs/dbraw/zinc/28/72/77/573287277.db2.gz AFCBABMFEUWHQN-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](CC2CC2)CCN1 82925412 573286755 /nfs/dbraw/zinc/28/67/55/573286755.db2.gz MTQJCQGSYVKUKX-NSHDSACASA-N 1 1 182.311 1.326 10 0 ADAEMO CC(C)[C@@H]1CN(CC2CC2)CC[NH2+]1 82925412 573286761 /nfs/dbraw/zinc/28/67/61/573286761.db2.gz MTQJCQGSYVKUKX-NSHDSACASA-N 1 1 182.311 1.326 10 0 ADAEMO CC[C@H](C)[N@@H+](CCO)[C@H]1CCCC1=O 308541496 573289598 /nfs/dbraw/zinc/28/95/98/573289598.db2.gz OECFIWCAAVQKHL-UWVGGRQHSA-N 1 1 199.294 1.201 10 0 ADAEMO CC(C)C[N@H+]1CCN[C@H](C2CC2)C1 82925426 573286917 /nfs/dbraw/zinc/28/69/17/573286917.db2.gz FDWIDPRQFHJJTN-NSHDSACASA-N 1 1 182.311 1.326 10 0 ADAEMO CC(C)CN1CC[NH2+][C@H](C2CC2)C1 82925426 573286923 /nfs/dbraw/zinc/28/69/23/573286923.db2.gz FDWIDPRQFHJJTN-NSHDSACASA-N 1 1 182.311 1.326 10 0 ADAEMO C[N@H+]1CCN[C@](C)(c2ccccc2)C1 82926171 573286955 /nfs/dbraw/zinc/28/69/55/573286955.db2.gz HFTTUYYCBKAFQF-LBPRGKRZSA-N 1 1 190.290 1.437 10 0 ADAEMO CN1CC[NH2+][C@](C)(c2ccccc2)C1 82926171 573286962 /nfs/dbraw/zinc/28/69/62/573286962.db2.gz HFTTUYYCBKAFQF-LBPRGKRZSA-N 1 1 190.290 1.437 10 0 ADAEMO CCC1(CC)CNCC[N@H+]1C 82927387 573286983 /nfs/dbraw/zinc/28/69/83/573286983.db2.gz OIQMWBYTTUEFTR-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO CCC1(CC)C[NH2+]CCN1C 82927387 573286991 /nfs/dbraw/zinc/28/69/91/573286991.db2.gz OIQMWBYTTUEFTR-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO CC(C)[N@H+]1CCNC[C@H]1C1CC1 82927013 573287001 /nfs/dbraw/zinc/28/70/01/573287001.db2.gz IEPGIMCTIWCBPF-JTQLQIEISA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)N1CC[NH2+]C[C@H]1C1CC1 82927013 573287007 /nfs/dbraw/zinc/28/70/07/573287007.db2.gz IEPGIMCTIWCBPF-JTQLQIEISA-N 1 1 168.284 1.079 10 0 ADAEMO CCC[C@H](O)C[N@@H+](C)C(C)C 50193157 573287019 /nfs/dbraw/zinc/28/70/19/573287019.db2.gz YXTVGDLRZRSIRB-VIFPVBQESA-N 1 1 159.273 1.488 10 0 ADAEMO CC1(C)CCc2[nH]nc(CC[NH3+])c2C1 74247503 573287041 /nfs/dbraw/zinc/28/70/41/573287041.db2.gz ZQYTXYYVUDYYAN-UHFFFAOYSA-N 1 1 193.294 1.426 10 0 ADAEMO CC(C)[N@H+]1CCNC[C@@H]1C1CC1 82927011 573287096 /nfs/dbraw/zinc/28/70/96/573287096.db2.gz IEPGIMCTIWCBPF-SNVBAGLBSA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)N1CC[NH2+]C[C@@H]1C1CC1 82927011 573287104 /nfs/dbraw/zinc/28/71/04/573287104.db2.gz IEPGIMCTIWCBPF-SNVBAGLBSA-N 1 1 168.284 1.079 10 0 ADAEMO CCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1C 82926565 573287140 /nfs/dbraw/zinc/28/71/40/573287140.db2.gz AFCBABMFEUWHQN-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C 82926565 573287146 /nfs/dbraw/zinc/28/71/46/573287146.db2.gz AFCBABMFEUWHQN-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)[C@@H]1C[N@H+](CC)CCN1 82926324 573287159 /nfs/dbraw/zinc/28/71/59/573287159.db2.gz MVGVVXZDCTYHBG-UWVGGRQHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@H](C)[C@@H]1C[N@@H+](CC)CCN1 82926324 573287167 /nfs/dbraw/zinc/28/71/67/573287167.db2.gz MVGVVXZDCTYHBG-UWVGGRQHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@H]1C[N@@H+](CC2CC2)CCN1 82925225 573287196 /nfs/dbraw/zinc/28/71/96/573287196.db2.gz COXOOJMRGQEKOZ-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO CC[C@H]1CN(CC2CC2)CC[NH2+]1 82925225 573287200 /nfs/dbraw/zinc/28/72/00/573287200.db2.gz COXOOJMRGQEKOZ-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO CCC[N@@H+]1CCN[C@H](C(C)C)C1 82925344 573287299 /nfs/dbraw/zinc/28/72/99/573287299.db2.gz MNMBLDJXQFAETO-JTQLQIEISA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@@H](C)[C@@H]1C[N@H+](CC)CCN1 82926321 573287212 /nfs/dbraw/zinc/28/72/12/573287212.db2.gz MVGVVXZDCTYHBG-ZJUUUORDSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@@H](C)[C@@H]1C[N@@H+](CC)CCN1 82926321 573287220 /nfs/dbraw/zinc/28/72/20/573287220.db2.gz MVGVVXZDCTYHBG-ZJUUUORDSA-N 1 1 170.300 1.326 10 0 ADAEMO Cc1cc(-c2noc([C@H](C)[NH3+])n2)no1 74247059 573287369 /nfs/dbraw/zinc/28/73/69/573287369.db2.gz MAIIFRHZZCDCMC-YFKPBYRVSA-N 1 1 194.194 1.053 10 0 ADAEMO CC[N@@H+]1CCN[C@@](C)(C2CC2)C1 82926218 573287379 /nfs/dbraw/zinc/28/73/79/573287379.db2.gz SVQITSQAAPARAY-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CC[N@H+]1CCN[C@@](C)(C2CC2)C1 82926218 573287383 /nfs/dbraw/zinc/28/73/83/573287383.db2.gz SVQITSQAAPARAY-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cocn1 308541623 573287393 /nfs/dbraw/zinc/28/73/93/573287393.db2.gz UTBWKTWCNKDWGD-UWVGGRQHSA-N 1 1 196.250 1.332 10 0 ADAEMO CCC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1C 82926734 573287447 /nfs/dbraw/zinc/28/74/47/573287447.db2.gz CKUZLWZBISCGHI-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[C@H]1CN[C@@H](C(C)C)C[N@H+]1C 82926734 573287451 /nfs/dbraw/zinc/28/74/51/573287451.db2.gz CKUZLWZBISCGHI-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO C1C[N@H+](CC2CC2)[C@H](C2CC2)CN1 82926989 573287464 /nfs/dbraw/zinc/28/74/64/573287464.db2.gz CVRPSDSXCZIRCY-NSHDSACASA-N 1 1 180.295 1.080 10 0 ADAEMO C1CN(CC2CC2)[C@H](C2CC2)C[NH2+]1 82926989 573287470 /nfs/dbraw/zinc/28/74/70/573287470.db2.gz CVRPSDSXCZIRCY-NSHDSACASA-N 1 1 180.295 1.080 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1/C=C\CCO 258279999 573287536 /nfs/dbraw/zinc/28/75/36/573287536.db2.gz SMNDXQIAYBTICP-NWPZZWLHSA-N 1 1 169.268 1.409 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC2CCCC2)CCN1 82925129 573287558 /nfs/dbraw/zinc/28/75/58/573287558.db2.gz NJNSPTQCYVWOFA-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CO[C@H](C)CC[N@H+]1CCC(=O)C[C@H]1C 308534653 573287562 /nfs/dbraw/zinc/28/75/62/573287562.db2.gz DAZQIVJGYGKSSA-NXEZZACHSA-N 1 1 199.294 1.465 10 0 ADAEMO CC[C@@H]1CN(CC2CCCC2)CC[NH2+]1 82925129 573287564 /nfs/dbraw/zinc/28/75/64/573287564.db2.gz NJNSPTQCYVWOFA-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@]1(C2CC2)C[N@@H+](CC2CC2)CCN1 82926222 573287588 /nfs/dbraw/zinc/28/75/88/573287588.db2.gz RYQWPHWUPXNWTF-GFCCVEGCSA-N 1 1 194.322 1.470 10 0 ADAEMO C[C@]1(C2CC2)CN(CC2CC2)CC[NH2+]1 82926222 573287592 /nfs/dbraw/zinc/28/75/92/573287592.db2.gz RYQWPHWUPXNWTF-GFCCVEGCSA-N 1 1 194.322 1.470 10 0 ADAEMO CC[C@H](C)[N@@H+](CCO)[C@@H]1CCCC1=O 308541497 573287643 /nfs/dbraw/zinc/28/76/43/573287643.db2.gz OECFIWCAAVQKHL-VHSXEESVSA-N 1 1 199.294 1.201 10 0 ADAEMO CNCC1([NH2+]C)CCCCCC1 238324529 573287682 /nfs/dbraw/zinc/28/76/82/573287682.db2.gz FTQLTHQDBLMKOX-UHFFFAOYSA-N 1 1 170.300 1.518 10 0 ADAEMO CC(C)[N@H+]1CCNCC12CCCC2 82927416 573287683 /nfs/dbraw/zinc/28/76/83/573287683.db2.gz AEEWWTOXQBOIMG-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO COc1nc(C[NH3+])oc1-c1ccco1 74247178 573287691 /nfs/dbraw/zinc/28/76/91/573287691.db2.gz GTRHGFQYRODBIY-UHFFFAOYSA-N 1 1 194.190 1.402 10 0 ADAEMO CCC[N@H+]1CCN[C@H](C(C)(C)C)C1 82925627 573287741 /nfs/dbraw/zinc/28/77/41/573287741.db2.gz GKVGYLYGCYYBRR-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO CCCN1CC[NH2+][C@H](C(C)(C)C)C1 82925627 573287747 /nfs/dbraw/zinc/28/77/47/573287747.db2.gz GKVGYLYGCYYBRR-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO CC(C)[C@H]1C[N@@H+](CC2CC2)[C@@H](C)CN1 82926496 573287805 /nfs/dbraw/zinc/28/78/05/573287805.db2.gz UFDCXNWECDVFRY-CMPLNLGQSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H]1CN(CC2CC2)[C@@H](C)C[NH2+]1 82926496 573287811 /nfs/dbraw/zinc/28/78/11/573287811.db2.gz UFDCXNWECDVFRY-CMPLNLGQSA-N 1 1 196.338 1.715 10 0 ADAEMO C1C[N@H+](CC2CC2)C[C@H](C2CC2)N1 82925575 573287922 /nfs/dbraw/zinc/28/79/22/573287922.db2.gz OBNAQACNNSCYDI-LLVKDONJSA-N 1 1 180.295 1.080 10 0 ADAEMO C1CN(CC2CC2)C[C@H](C2CC2)[NH2+]1 82925575 573287929 /nfs/dbraw/zinc/28/79/29/573287929.db2.gz OBNAQACNNSCYDI-LLVKDONJSA-N 1 1 180.295 1.080 10 0 ADAEMO CC(C)C[N@H+]1C[C@@H](C(C)C)NC[C@H]1C 82926512 573287940 /nfs/dbraw/zinc/28/79/40/573287940.db2.gz CADFUQIXPRRBKB-NEPJUHHUSA-N 1 1 198.354 1.961 10 0 ADAEMO CC(C)CN1C[C@@H](C(C)C)[NH2+]C[C@H]1C 82926512 573287946 /nfs/dbraw/zinc/28/79/46/573287946.db2.gz CADFUQIXPRRBKB-NEPJUHHUSA-N 1 1 198.354 1.961 10 0 ADAEMO CC[C@]1(C)CN(C(C)C)CC[NH2+]1 82925942 573289515 /nfs/dbraw/zinc/28/95/15/573289515.db2.gz FQZFMFKVSHDJQV-SNVBAGLBSA-N 1 1 170.300 1.469 10 0 ADAEMO C[NH2+][C@H](c1ccc[nH]1)C(C)(C)N 259404893 573288773 /nfs/dbraw/zinc/28/87/73/573288773.db2.gz LXVQWAWPZLEHEE-MRVPVSSYSA-N 1 1 167.256 1.013 10 0 ADAEMO CCC[C@H](O)C[N@@H+](C)C1CC1 50193282 573288521 /nfs/dbraw/zinc/28/85/21/573288521.db2.gz PABGCRHPSMXFGJ-VIFPVBQESA-N 1 1 157.257 1.242 10 0 ADAEMO CCC[N@H+]1CCN[C@@](C)(C2CC2)C1 82926268 573288578 /nfs/dbraw/zinc/28/85/78/573288578.db2.gz YJZUBKGATKRRCS-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CCCN1CC[NH2+][C@@](C)(C2CC2)C1 82926268 573288582 /nfs/dbraw/zinc/28/85/82/573288582.db2.gz YJZUBKGATKRRCS-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CNc1nc(C2CC[NH+](C)CC2)c[nH]1 259068017 573288611 /nfs/dbraw/zinc/28/86/11/573288611.db2.gz KJOMPKSOSVDTTE-UHFFFAOYSA-N 1 1 194.282 1.261 10 0 ADAEMO CC[C@]1(C)C[N@@H+](CC2CC2)CCN1 82926004 573288660 /nfs/dbraw/zinc/28/86/60/573288660.db2.gz MOIOSPACOFHPQH-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@]1(C)CN(CC2CC2)CC[NH2+]1 82926004 573288665 /nfs/dbraw/zinc/28/86/65/573288665.db2.gz MOIOSPACOFHPQH-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO Cc1n[nH]cc1[C@@H]1CC(=O)C[C@@H](C)[NH2+]1 74248105 573288679 /nfs/dbraw/zinc/28/86/79/573288679.db2.gz ZGFKTUYIFDCTJQ-LDWIPMOCSA-N 1 1 193.250 1.100 10 0 ADAEMO CC[C@@]1(C)C[N@H+](C(C)C)CCN1 82925943 573288711 /nfs/dbraw/zinc/28/87/11/573288711.db2.gz FQZFMFKVSHDJQV-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@]1(C)CN(C(C)C)CC[NH2+]1 82925943 573288716 /nfs/dbraw/zinc/28/87/16/573288716.db2.gz FQZFMFKVSHDJQV-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO CO[C@@H](C)CC[N@H+]1CCC(=O)C[C@@H]1C 308534657 573289556 /nfs/dbraw/zinc/28/95/56/573289556.db2.gz DAZQIVJGYGKSSA-UWVGGRQHSA-N 1 1 199.294 1.465 10 0 ADAEMO CCC1(CC)C[N@H+](C)CCN1 82926043 573288801 /nfs/dbraw/zinc/28/88/01/573288801.db2.gz VJMUCJHOEPFHTR-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO CCC1(CC)C[N@@H+](C)CCN1 82926043 573288806 /nfs/dbraw/zinc/28/88/06/573288806.db2.gz VJMUCJHOEPFHTR-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO CC[C@]1(C)C[N@@H+](CC(C)C)CCN1 82925874 573288837 /nfs/dbraw/zinc/28/88/37/573288837.db2.gz FEYARZUDJJJHQD-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@]1(C)CN(CC(C)C)CC[NH2+]1 82925874 573288840 /nfs/dbraw/zinc/28/88/40/573288840.db2.gz FEYARZUDJJJHQD-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[N@H+]1CCNC[C@]1(C)CC 82927307 573288853 /nfs/dbraw/zinc/28/88/53/573288853.db2.gz IIFHIPLXWKFWEE-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CCCN1CC[NH2+]C[C@]1(C)CC 82927307 573288858 /nfs/dbraw/zinc/28/88/58/573288858.db2.gz IIFHIPLXWKFWEE-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CC(C)[N@@H+]1CC2CC(C2)[C@H]1CN 258619993 573288907 /nfs/dbraw/zinc/28/89/07/573288907.db2.gz WOUBTXIQHQZPBM-UDNWOFFPSA-N 1 1 168.284 1.064 10 0 ADAEMO CC(C)[N@H+]1CC2CC(C2)[C@H]1CN 258619993 573288913 /nfs/dbraw/zinc/28/89/13/573288913.db2.gz WOUBTXIQHQZPBM-UDNWOFFPSA-N 1 1 168.284 1.064 10 0 ADAEMO C[C@@H](O)c1coc([C@H]2CCC[N@@H+]2C)n1 257994406 573288933 /nfs/dbraw/zinc/28/89/33/573288933.db2.gz IFYAMAZCVDYGDY-VXNVDRBHSA-N 1 1 196.250 1.495 10 0 ADAEMO C[C@@H](O)c1coc([C@H]2CCC[N@H+]2C)n1 257994406 573288939 /nfs/dbraw/zinc/28/89/39/573288939.db2.gz IFYAMAZCVDYGDY-VXNVDRBHSA-N 1 1 196.250 1.495 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC(C)C)CCN1 82925117 573288953 /nfs/dbraw/zinc/28/89/53/573288953.db2.gz IZRFVXUCHKGDRZ-SNVBAGLBSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@@H]1CN(CC(C)C)CC[NH2+]1 82925117 573288956 /nfs/dbraw/zinc/28/89/56/573288956.db2.gz IZRFVXUCHKGDRZ-SNVBAGLBSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@@]1(C)C[NH2+]CCN1CC1CC1 82927218 573289557 /nfs/dbraw/zinc/28/95/57/573289557.db2.gz FLRVQXRDABPXSG-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cocn1 308541622 573289065 /nfs/dbraw/zinc/28/90/65/573289065.db2.gz UTBWKTWCNKDWGD-NXEZZACHSA-N 1 1 196.250 1.332 10 0 ADAEMO CC(C)C[N@H+]1CCNC[C@H]1C1CC1 82927010 573289087 /nfs/dbraw/zinc/28/90/87/573289087.db2.gz AHWFPNRNDZNFCW-NSHDSACASA-N 1 1 182.311 1.326 10 0 ADAEMO CC(C)C[N@H+]1CCN[C@@H](C2CC2)C1 82925428 573289136 /nfs/dbraw/zinc/28/91/36/573289136.db2.gz FDWIDPRQFHJJTN-LLVKDONJSA-N 1 1 182.311 1.326 10 0 ADAEMO CCc1nc2c([nH]1)C[C@@H](CC[NH3+])CC2 74247445 573289140 /nfs/dbraw/zinc/28/91/40/573289140.db2.gz FVLLTBKJIPSRPW-MRVPVSSYSA-N 1 1 193.294 1.426 10 0 ADAEMO CC(C)CN1CC[NH2+][C@@H](C2CC2)C1 82925428 573289141 /nfs/dbraw/zinc/28/91/41/573289141.db2.gz FDWIDPRQFHJJTN-LLVKDONJSA-N 1 1 182.311 1.326 10 0 ADAEMO CCc1nc2c([nH]1)CC[C@H](CC[NH3+])C2 74247445 573289144 /nfs/dbraw/zinc/28/91/44/573289144.db2.gz FVLLTBKJIPSRPW-MRVPVSSYSA-N 1 1 193.294 1.426 10 0 ADAEMO CC(C)C[N@H+]1CCN[C@H](C(C)(C)C)C1 82925584 573289152 /nfs/dbraw/zinc/28/91/52/573289152.db2.gz ATGFQFDGRHQABH-NSHDSACASA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)CN1CC[NH2+][C@H](C(C)(C)C)C1 82925584 573289158 /nfs/dbraw/zinc/28/91/58/573289158.db2.gz ATGFQFDGRHQABH-NSHDSACASA-N 1 1 198.354 1.962 10 0 ADAEMO C[C@@H]1CCc2[nH]nc(CCC[NH3+])c2C1 74247504 573289199 /nfs/dbraw/zinc/28/91/99/573289199.db2.gz FRQLDWDKWPZLQY-MRVPVSSYSA-N 1 1 193.294 1.426 10 0 ADAEMO Cc1n[nH]cc1[C@H]1CC(=O)C[C@H](C)[NH2+]1 74248104 573289244 /nfs/dbraw/zinc/28/92/44/573289244.db2.gz ZGFKTUYIFDCTJQ-QUBYGPBYSA-N 1 1 193.250 1.100 10 0 ADAEMO CC[C@H](C)[C@H]1C[N@H+](CC)CCN1 82926328 573289285 /nfs/dbraw/zinc/28/92/85/573289285.db2.gz MVGVVXZDCTYHBG-VHSXEESVSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@H](C)[C@H]1C[N@@H+](CC)CCN1 82926328 573289291 /nfs/dbraw/zinc/28/92/91/573289291.db2.gz MVGVVXZDCTYHBG-VHSXEESVSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)[N@@H+]1CC=C(CCON)CC1 258280172 573289309 /nfs/dbraw/zinc/28/93/09/573289309.db2.gz ZOZTZBVCMFKKEN-UHFFFAOYSA-N 1 1 184.283 1.307 10 0 ADAEMO CC(C)Cc1nc2c([nH]1)CC[C@H]([NH3+])C2 74247473 573289365 /nfs/dbraw/zinc/28/93/65/573289365.db2.gz ACTJKBPGIMJWPT-QMMMGPOBSA-N 1 1 193.294 1.424 10 0 ADAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1CC 82926627 573289370 /nfs/dbraw/zinc/28/93/70/573289370.db2.gz GYAQZEFMAKTKJV-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CC 82926627 573289374 /nfs/dbraw/zinc/28/93/74/573289374.db2.gz GYAQZEFMAKTKJV-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[N@H+]1CCN[C@@H](C2CC2)C1 82925479 573289406 /nfs/dbraw/zinc/28/94/06/573289406.db2.gz LUMNUBCBFGNENR-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CCC[C@@H](O)C[N@@H+](CC)CCOC 50193474 573289409 /nfs/dbraw/zinc/28/94/09/573289409.db2.gz BGMSDCUCSQJFQH-SNVBAGLBSA-N 1 1 189.299 1.116 10 0 ADAEMO CCCN1CC[NH2+][C@@H](C2CC2)C1 82925479 573289411 /nfs/dbraw/zinc/28/94/11/573289411.db2.gz LUMNUBCBFGNENR-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CC[N@@H+](C)CCc1ccc[nH]1 259068924 573289425 /nfs/dbraw/zinc/28/94/25/573289425.db2.gz LNPXQQKILNUECC-UHFFFAOYSA-N 1 1 152.241 1.509 10 0 ADAEMO CCC[C@@H](C1CC1)[N@H+](CC)C1CNC1 308534469 573289451 /nfs/dbraw/zinc/28/94/51/573289451.db2.gz KXTCVYINRIRDNB-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@@H](C1CC1)[N@@H+](CC)C1CNC1 308534469 573289459 /nfs/dbraw/zinc/28/94/59/573289459.db2.gz KXTCVYINRIRDNB-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@]1(C2CC2)C[N@@H+](CC2CC2)CCN1 82926223 573289464 /nfs/dbraw/zinc/28/94/64/573289464.db2.gz RYQWPHWUPXNWTF-LBPRGKRZSA-N 1 1 194.322 1.470 10 0 ADAEMO C[C@@]1(C2CC2)CN(CC2CC2)CC[NH2+]1 82926223 573289468 /nfs/dbraw/zinc/28/94/68/573289468.db2.gz RYQWPHWUPXNWTF-LBPRGKRZSA-N 1 1 194.322 1.470 10 0 ADAEMO CC[N@H+]1CCNCC1(CC)CC 82927358 573290465 /nfs/dbraw/zinc/29/04/65/573290465.db2.gz WGWPFEJFMYMSNV-UHFFFAOYSA-N 1 1 170.300 1.470 10 0 ADAEMO CCN1CC[NH2+]CC1(CC)CC 82927358 573290471 /nfs/dbraw/zinc/29/04/71/573290471.db2.gz WGWPFEJFMYMSNV-UHFFFAOYSA-N 1 1 170.300 1.470 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC2CC2)CCN1 82925224 573290483 /nfs/dbraw/zinc/29/04/83/573290483.db2.gz COXOOJMRGQEKOZ-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CC[C@@H]1CN(CC2CC2)CC[NH2+]1 82925224 573290486 /nfs/dbraw/zinc/29/04/86/573290486.db2.gz COXOOJMRGQEKOZ-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CCC[N@H+]1CCN[C@](C)(CC)C1 82925929 573290295 /nfs/dbraw/zinc/29/02/95/573290295.db2.gz CTSIDHQWOHTCQO-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO CCCN1CC[NH2+][C@](C)(CC)C1 82925929 573290298 /nfs/dbraw/zinc/29/02/98/573290298.db2.gz CTSIDHQWOHTCQO-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](C(C)C)CCN1 82925352 573290307 /nfs/dbraw/zinc/29/03/07/573290307.db2.gz OOMYBDPLKYUJPN-JTQLQIEISA-N 1 1 170.300 1.325 10 0 ADAEMO CC(C)[C@@H]1C[N@H+](C(C)C)CCN1 82925352 573290313 /nfs/dbraw/zinc/29/03/13/573290313.db2.gz OOMYBDPLKYUJPN-JTQLQIEISA-N 1 1 170.300 1.325 10 0 ADAEMO CC[C@@]1(C)CNCC[N@H+]1C(C)C 82927248 573290332 /nfs/dbraw/zinc/29/03/32/573290332.db2.gz NUSSWAMESHSIGS-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@]1(C)C[NH2+]CCN1C(C)C 82927248 573290336 /nfs/dbraw/zinc/29/03/36/573290336.db2.gz NUSSWAMESHSIGS-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO CCC[C@H](O)C[N@@H+](CC)CCC 50193292 573290360 /nfs/dbraw/zinc/29/03/60/573290360.db2.gz CDVROJCGVREAGH-JTQLQIEISA-N 1 1 173.300 1.879 10 0 ADAEMO CC[C@@H](C)[C@H]1C[N@@H+](C(C)C)CCN1 82926364 573290369 /nfs/dbraw/zinc/29/03/69/573290369.db2.gz OKJMEAGLAIGRBN-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H](C)[C@H]1C[N@H+](C(C)C)CCN1 82926364 573290374 /nfs/dbraw/zinc/29/03/74/573290374.db2.gz OKJMEAGLAIGRBN-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CO[C@H](C)CC[N@H+]1CCC(=O)C[C@@H]1C 308534661 573290426 /nfs/dbraw/zinc/29/04/26/573290426.db2.gz DAZQIVJGYGKSSA-VHSXEESVSA-N 1 1 199.294 1.465 10 0 ADAEMO CN[C@@H]1C[NH2+]Cc2ccccc21 238334953 573290396 /nfs/dbraw/zinc/29/03/96/573290396.db2.gz NZJBQVYXEIQBFA-SNVBAGLBSA-N 1 1 162.236 1.050 10 0 ADAEMO CCc1nc2c([nH]1)C[C@H](CC[NH3+])CC2 74247446 573290397 /nfs/dbraw/zinc/29/03/97/573290397.db2.gz FVLLTBKJIPSRPW-QMMMGPOBSA-N 1 1 193.294 1.426 10 0 ADAEMO CC(C)C[N@H+]1CCN[C@@H](C(C)(C)C)C1 82925586 573290399 /nfs/dbraw/zinc/29/03/99/573290399.db2.gz ATGFQFDGRHQABH-LLVKDONJSA-N 1 1 198.354 1.962 10 0 ADAEMO CCc1nc2c([nH]1)CC[C@@H](CC[NH3+])C2 74247446 573290402 /nfs/dbraw/zinc/29/04/02/573290402.db2.gz FVLLTBKJIPSRPW-QMMMGPOBSA-N 1 1 193.294 1.426 10 0 ADAEMO CC(C)CN1CC[NH2+][C@@H](C(C)(C)C)C1 82925586 573290403 /nfs/dbraw/zinc/29/04/03/573290403.db2.gz ATGFQFDGRHQABH-LLVKDONJSA-N 1 1 198.354 1.962 10 0 ADAEMO C[C@H](O)c1coc([C@@H]2CCC[N@@H+]2C)n1 257994400 573290967 /nfs/dbraw/zinc/29/09/67/573290967.db2.gz IFYAMAZCVDYGDY-CBAPKCEASA-N 1 1 196.250 1.495 10 0 ADAEMO C[C@H](O)c1coc([C@@H]2CCC[N@H+]2C)n1 257994400 573290970 /nfs/dbraw/zinc/29/09/70/573290970.db2.gz IFYAMAZCVDYGDY-CBAPKCEASA-N 1 1 196.250 1.495 10 0 ADAEMO COc1cc(Cl)cc2[nH]c(N)[nH+]c12 238335201 573291038 /nfs/dbraw/zinc/29/10/38/573291038.db2.gz DLCXDCWTDIJMNP-UHFFFAOYSA-N 1 1 197.625 1.807 10 0 ADAEMO C[NH2+][C@H](c1ccc(OC)cc1)N(C)C 259405464 573291043 /nfs/dbraw/zinc/29/10/43/573291043.db2.gz HLWKKSTXACKOOQ-NSHDSACASA-N 1 1 194.278 1.475 10 0 ADAEMO CC(C)(C[NH+]1CCCCC1)C1(N)CC1 257993765 573291044 /nfs/dbraw/zinc/29/10/44/573291044.db2.gz FORUFCMHXJUWFU-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO C[N@@H+]1C(C)(C)CC(=O)C1(C)C 238324896 573291073 /nfs/dbraw/zinc/29/10/73/573291073.db2.gz ONJJBTRFQLZOSD-UHFFFAOYSA-N 1 1 155.241 1.448 10 0 ADAEMO C[N@H+]1C(C)(C)CC(=O)C1(C)C 238324896 573291075 /nfs/dbraw/zinc/29/10/75/573291075.db2.gz ONJJBTRFQLZOSD-UHFFFAOYSA-N 1 1 155.241 1.448 10 0 ADAEMO CO[C@H]1CCC[C@H]1[NH2+]Cc1cocn1 308541625 573291106 /nfs/dbraw/zinc/29/11/06/573291106.db2.gz UTBWKTWCNKDWGD-ZJUUUORDSA-N 1 1 196.250 1.332 10 0 ADAEMO N[C@H](C[NH3+])CNc1ccc(Cl)cc1 259070383 573291147 /nfs/dbraw/zinc/29/11/47/573291147.db2.gz XHSUCAYRZODGKD-MRVPVSSYSA-N 1 1 199.685 1.038 10 0 ADAEMO CC(C)[C@@H]1CN[C@@H](C)C[N@H+]1CC1CC1 82935126 573291384 /nfs/dbraw/zinc/29/13/84/573291384.db2.gz ZODDXLLGVXEAOX-JQWIXIFHSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1CC(C)C 82934905 573291334 /nfs/dbraw/zinc/29/13/34/573291334.db2.gz TYDYVTCEIVJSIF-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[N@H+]1CC(C)(C)NC[C@H]1C1CC1 82936251 573293712 /nfs/dbraw/zinc/29/37/12/573293712.db2.gz DVCYLUJNVKUFCQ-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[N@H+]1CC(C)(C)NC[C@@H]1C1CC1 82936246 573293617 /nfs/dbraw/zinc/29/36/17/573293617.db2.gz QQRYMAPQSSVZBE-LLVKDONJSA-N 1 1 196.338 1.857 10 0 ADAEMO C[N@H+]1CCCC[C@@]1(C)CCO 238340438 573292097 /nfs/dbraw/zinc/29/20/97/573292097.db2.gz KJFQQXULCFSVTR-VIFPVBQESA-N 1 1 157.257 1.243 10 0 ADAEMO CC(C)[N@H+]1C[C@H](C)NC[C@H]1C1CC1 82935168 573292099 /nfs/dbraw/zinc/29/20/99/573292099.db2.gz WRDYUCKDFPKRPT-ONGXEEELSA-N 1 1 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1.469 10 0 ADAEMO CC[C@@]1(C)CN[C@@H](C2CC2)C[N@H+]1C 82939102 573300323 /nfs/dbraw/zinc/30/03/23/573300323.db2.gz ISHPAPPGPQNANX-MNOVXSKESA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1C 82939102 573300325 /nfs/dbraw/zinc/30/03/25/573300325.db2.gz ISHPAPPGPQNANX-MNOVXSKESA-N 1 1 182.311 1.469 10 0 ADAEMO CC[N@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)C 82938919 573300338 /nfs/dbraw/zinc/30/03/38/573300338.db2.gz AAZLXUDOKUUUCN-VXGBXAGGSA-N 1 1 196.338 1.715 10 0 ADAEMO CCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C(C)C 82938919 573300342 /nfs/dbraw/zinc/30/03/42/573300342.db2.gz AAZLXUDOKUUUCN-VXGBXAGGSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@@]1(C)CN[C@@](C)(C2CC2)C[N@H+]1C 82938505 573300351 /nfs/dbraw/zinc/30/03/51/573300351.db2.gz XEIULJLEOFRPHX-NWDGAFQWSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)CN1C 82938505 573300356 /nfs/dbraw/zinc/30/03/56/573300356.db2.gz XEIULJLEOFRPHX-NWDGAFQWSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)C[N@H+]1C[C@@H](C2CC2)NC[C@H]1C 82938723 573300366 /nfs/dbraw/zinc/30/03/66/573300366.db2.gz XEYFXXRROZMNED-PWSUYJOCSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)CN1C[C@@H](C2CC2)[NH2+]C[C@H]1C 82938723 573300370 /nfs/dbraw/zinc/30/03/70/573300370.db2.gz XEYFXXRROZMNED-PWSUYJOCSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@H]1CN[C@@](C)(CC)C[N@H+]1C 82937758 573300383 /nfs/dbraw/zinc/30/03/83/573300383.db2.gz XTILAHGORYECHH-UWVGGRQHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H]1C[NH2+][C@@](C)(CC)CN1C 82937758 573300389 /nfs/dbraw/zinc/30/03/89/573300389.db2.gz XTILAHGORYECHH-UWVGGRQHSA-N 1 1 170.300 1.469 10 0 ADAEMO C[C@@H]1CN[C@@H](C[C@@H]2CCC[N@H+]2C)OC1 258285740 573300411 /nfs/dbraw/zinc/30/04/11/573300411.db2.gz BVLWDQLJTLZWOE-OUAUKWLOSA-N 1 1 198.310 1.053 10 0 ADAEMO C[N@H+]1CC[C@H]2CC[C@@H](O)C[C@@H]2C1 238336362 573300431 /nfs/dbraw/zinc/30/04/31/573300431.db2.gz OBOOTZLJSBIXKK-OPRDCNLKSA-N 1 1 169.268 1.099 10 0 ADAEMO CC[C@H]1CN[C@H](C2CC2)C[N@@H+]1C 82938860 573300451 /nfs/dbraw/zinc/30/04/51/573300451.db2.gz KRPBZFMIHPHOCX-UWVGGRQHSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[C@H]1CN[C@H](C2CC2)C[N@H+]1C 82938860 573300459 /nfs/dbraw/zinc/30/04/59/573300459.db2.gz KRPBZFMIHPHOCX-UWVGGRQHSA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)[C@@H]1CNC2(CCCC2)C[N@H+]1C 82938033 573300500 /nfs/dbraw/zinc/30/05/00/573300500.db2.gz XPINBXFUQLEETL-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1C 82938033 573300505 /nfs/dbraw/zinc/30/05/05/573300505.db2.gz XPINBXFUQLEETL-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](CC2CC2)CCCN1 82941063 573300549 /nfs/dbraw/zinc/30/05/49/573300549.db2.gz QHDUUWHLDFNVSR-LBPRGKRZSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)[C@@H]1CN(CC2CC2)CCC[NH2+]1 82941063 573300554 /nfs/dbraw/zinc/30/05/54/573300554.db2.gz QHDUUWHLDFNVSR-LBPRGKRZSA-N 1 1 196.338 1.716 10 0 ADAEMO c1cc2c([C@@H]3CC[NH2+]C3)[nH]ccc-2n1 74278816 573300673 /nfs/dbraw/zinc/30/06/73/573300673.db2.gz BNBHYYZCNDWXJG-MRVPVSSYSA-N 1 1 187.246 1.640 10 0 ADAEMO CCC[N@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C 82938312 573300680 /nfs/dbraw/zinc/30/06/80/573300680.db2.gz GJIJLGYZYUMLGP-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C 82938312 573300682 /nfs/dbraw/zinc/30/06/82/573300682.db2.gz GJIJLGYZYUMLGP-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC/C=C/C[C@@H]([NH3+])C(=O)OC 219839045 573300693 /nfs/dbraw/zinc/30/06/93/573300693.db2.gz TUDYLCUQPLEATK-HQZHTGGTSA-N 1 1 171.240 1.233 10 0 ADAEMO CCC[C@@H]1CN[C@@](C)(CC)C[N@H+]1C 82937795 573300697 /nfs/dbraw/zinc/30/06/97/573300697.db2.gz FWQVGNWQWGOZJJ-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@@H]1C[NH2+][C@@](C)(CC)CN1C 82937795 573300704 /nfs/dbraw/zinc/30/07/04/573300704.db2.gz FWQVGNWQWGOZJJ-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CC[N@H+]1C[C@H](C2CC2)NC[C@]1(C)CC 82939080 573300717 /nfs/dbraw/zinc/30/07/17/573300717.db2.gz HZIJHOTVYMBMKE-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO CCN1C[C@H](C2CC2)[NH2+]C[C@]1(C)CC 82939080 573300722 /nfs/dbraw/zinc/30/07/22/573300722.db2.gz HZIJHOTVYMBMKE-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO CO[C@H](C)CNc1ccc[nH+]c1N 223659611 573300740 /nfs/dbraw/zinc/30/07/40/573300740.db2.gz OMJNATSDAVOFKE-SSDOTTSWSA-N 1 1 181.239 1.111 10 0 ADAEMO CC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1C 82938722 573300760 /nfs/dbraw/zinc/30/07/60/573300760.db2.gz NMOTVFIFYFDZFP-WPRPVWTQSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[N@H+]1C[C@@H](C2CC2)NC[C@@H]1C 82938722 573300764 /nfs/dbraw/zinc/30/07/64/573300764.db2.gz NMOTVFIFYFDZFP-WPRPVWTQSA-N 1 1 168.284 1.079 10 0 ADAEMO CCC[N@H+]1C[C@H](C2CC2)NC[C@@H]1C 82938757 573300775 /nfs/dbraw/zinc/30/07/75/573300775.db2.gz LZAWWRVGEAADLP-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO CCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C 82938757 573300781 /nfs/dbraw/zinc/30/07/81/573300781.db2.gz LZAWWRVGEAADLP-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1C 82938903 573300799 /nfs/dbraw/zinc/30/07/99/573300799.db2.gz KDMIXAVBEGVRBN-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC[C@@H]1CN[C@@H](C2CC2)C[N@H+]1C 82938903 573300805 /nfs/dbraw/zinc/30/08/05/573300805.db2.gz KDMIXAVBEGVRBN-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@H+]1C 82938940 573300844 /nfs/dbraw/zinc/30/08/44/573300844.db2.gz FEJSEYGTZZVBKO-GHMZBOCLSA-N 1 1 182.311 1.325 10 0 ADAEMO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1C 82938940 573300849 /nfs/dbraw/zinc/30/08/49/573300849.db2.gz FEJSEYGTZZVBKO-GHMZBOCLSA-N 1 1 182.311 1.325 10 0 ADAEMO CC(=O)C[C@@H]1CCCC[N@@H+]1[C@H](C)CO 308547557 573300860 /nfs/dbraw/zinc/30/08/60/573300860.db2.gz OOHOUZZJHPLZGK-KOLCDFICSA-N 1 1 199.294 1.201 10 0 ADAEMO CC[N@H+]1CC2(CCCC2)NC[C@H]1C 82937974 573300863 /nfs/dbraw/zinc/30/08/63/573300863.db2.gz PGVPTZBKYLEDHC-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CCN1CC2(CCCC2)[NH2+]C[C@H]1C 82937974 573300868 /nfs/dbraw/zinc/30/08/68/573300868.db2.gz PGVPTZBKYLEDHC-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@@]1(C)C[N@H+](C)[C@H](C)CN1 82937694 573302120 /nfs/dbraw/zinc/30/21/20/573302120.db2.gz YPSOGQYSICYQKT-BDAKNGLRSA-N 1 1 156.273 1.079 10 0 ADAEMO CC[N@H+]1CC(CC)(CC)NC[C@H]1C 82938550 573300903 /nfs/dbraw/zinc/30/09/03/573300903.db2.gz OOGXYUYMMIPSFT-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCN1CC(CC)(CC)[NH2+]C[C@H]1C 82938550 573300908 /nfs/dbraw/zinc/30/09/08/573300908.db2.gz OOGXYUYMMIPSFT-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1Cc1cccnn1 259410963 573301010 /nfs/dbraw/zinc/30/10/10/573301010.db2.gz JPTQOFOJIMQTAB-LLVKDONJSA-N 1 1 191.278 1.503 10 0 ADAEMO CC[N@H+]1C[C@@](C)(CC)NCC1(C)C 82937891 573301011 /nfs/dbraw/zinc/30/10/11/573301011.db2.gz QHYDEPDMEUPDOU-LLVKDONJSA-N 1 1 184.327 1.859 10 0 ADAEMO CCN1C[C@@](C)(CC)[NH2+]CC1(C)C 82937891 573301018 /nfs/dbraw/zinc/30/10/18/573301018.db2.gz QHYDEPDMEUPDOU-LLVKDONJSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@]1(C)C[N@@H+](C)[C@H](C)CN1 82937694 573302125 /nfs/dbraw/zinc/30/21/25/573302125.db2.gz YPSOGQYSICYQKT-BDAKNGLRSA-N 1 1 156.273 1.079 10 0 ADAEMO C[N@H+]1CCC[C@H](C/C=C\CO)C1 258286136 573301076 /nfs/dbraw/zinc/30/10/76/573301076.db2.gz SXHPBZJFQCYPSH-ZMWSMAPVSA-N 1 1 169.268 1.267 10 0 ADAEMO CC[C@H](C)[C@@H]1C[N@H+](C)C(C)(C)CN1 82937598 573301091 /nfs/dbraw/zinc/30/10/91/573301091.db2.gz OTGZJEGCGYWVFY-UWVGGRQHSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)[C@@H]1C[N@@H+](C)C(C)(C)CN1 82937598 573301094 /nfs/dbraw/zinc/30/10/94/573301094.db2.gz OTGZJEGCGYWVFY-UWVGGRQHSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1C 82938416 573301115 /nfs/dbraw/zinc/30/11/15/573301115.db2.gz DICULNBSLDRJSM-RYUDHWBXSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C 82938416 573301120 /nfs/dbraw/zinc/30/11/20/573301120.db2.gz DICULNBSLDRJSM-RYUDHWBXSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[N@H+]1C[C@](C)(CC)NCC1(C)C 82937892 573301131 /nfs/dbraw/zinc/30/11/31/573301131.db2.gz QHYDEPDMEUPDOU-NSHDSACASA-N 1 1 184.327 1.859 10 0 ADAEMO CCN1C[C@](C)(CC)[NH2+]CC1(C)C 82937892 573301136 /nfs/dbraw/zinc/30/11/36/573301136.db2.gz QHYDEPDMEUPDOU-NSHDSACASA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H]1CN[C@@H](C2CC2)C[N@H+]1C(C)C 82938838 573301147 /nfs/dbraw/zinc/30/11/47/573301147.db2.gz TXQXPAAGWQKVHY-NWDGAFQWSA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C(C)C 82938838 573301151 /nfs/dbraw/zinc/30/11/51/573301151.db2.gz TXQXPAAGWQKVHY-NWDGAFQWSA-N 1 1 196.338 1.857 10 0 ADAEMO C[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1C(C)(C)C 82939026 573301172 /nfs/dbraw/zinc/30/11/72/573301172.db2.gz UGWYHGRWEKUELR-WDEREUQCSA-N 1 1 196.338 1.715 10 0 ADAEMO C[N@H+]1C[C@@H](C2CC2)NC[C@@H]1C(C)(C)C 82939026 573301181 /nfs/dbraw/zinc/30/11/81/573301181.db2.gz UGWYHGRWEKUELR-WDEREUQCSA-N 1 1 196.338 1.715 10 0 ADAEMO C[N@H+]1C[C@H](C2CC2)NC[C@@]1(C)C1CC1 82939154 573301193 /nfs/dbraw/zinc/30/11/93/573301193.db2.gz WOUFLHUBGIAGOJ-NEPJUHHUSA-N 1 1 194.322 1.469 10 0 ADAEMO CN1C[C@H](C2CC2)[NH2+]C[C@@]1(C)C1CC1 82939154 573301199 /nfs/dbraw/zinc/30/11/99/573301199.db2.gz WOUFLHUBGIAGOJ-NEPJUHHUSA-N 1 1 194.322 1.469 10 0 ADAEMO C[N@H+]1C[C@](C)(C2CC2)NC[C@H]1C1CC1 82938452 573301250 /nfs/dbraw/zinc/30/12/50/573301250.db2.gz ITHBQKIBWNPQEV-NWDGAFQWSA-N 1 1 194.322 1.469 10 0 ADAEMO CN1C[C@](C)(C2CC2)[NH2+]C[C@H]1C1CC1 82938452 573301255 /nfs/dbraw/zinc/30/12/55/573301255.db2.gz ITHBQKIBWNPQEV-NWDGAFQWSA-N 1 1 194.322 1.469 10 0 ADAEMO CC[C@@]1(C)C[N@@H+](C)[C@@](C)(CC)CN1 82937938 573301267 /nfs/dbraw/zinc/30/12/67/573301267.db2.gz SWVLJNGHCSKGSB-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[N@H+]1C[C@H](C2CC2)NC[C@@H]1C1CC1 82938997 573302137 /nfs/dbraw/zinc/30/21/37/573302137.db2.gz UAHHXIVYCHHUDD-VXGBXAGGSA-N 1 1 194.322 1.469 10 0 ADAEMO CC[C@@]1(C)CN(C)[C@@](C)(CC)C[NH2+]1 82937938 573301275 /nfs/dbraw/zinc/30/12/75/573301275.db2.gz SWVLJNGHCSKGSB-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[N@H+]1C[C@](C)(CC)NC[C@H]1C 82937678 573301315 /nfs/dbraw/zinc/30/13/15/573301315.db2.gz ROPWSAMLZJVVRF-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CCN1C[C@](C)(CC)[NH2+]C[C@H]1C 82937678 573301318 /nfs/dbraw/zinc/30/13/18/573301318.db2.gz ROPWSAMLZJVVRF-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H]1CN[C@H](C2CC2)C[N@H+]1C(C)C 82938836 573301332 /nfs/dbraw/zinc/30/13/32/573301332.db2.gz TXQXPAAGWQKVHY-RYUDHWBXSA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@H]1C[NH2+][C@H](C2CC2)CN1C(C)C 82938836 573301340 /nfs/dbraw/zinc/30/13/40/573301340.db2.gz TXQXPAAGWQKVHY-RYUDHWBXSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@H]1C[N@@H+](CC2CC2)CCCN1 82941065 573301359 /nfs/dbraw/zinc/30/13/59/573301359.db2.gz QHDUUWHLDFNVSR-GFCCVEGCSA-N 1 1 196.338 1.716 10 0 ADAEMO Cc1ccc(C)c([C@@H]([NH3+])C2(N)CC2)c1 259409016 573301366 /nfs/dbraw/zinc/30/13/66/573301366.db2.gz MDAAQHNBHCNYHN-LLVKDONJSA-N 1 1 190.290 1.795 10 0 ADAEMO CC(C)[C@H]1CN(CC2CC2)CCC[NH2+]1 82941065 573301367 /nfs/dbraw/zinc/30/13/67/573301367.db2.gz QHDUUWHLDFNVSR-GFCCVEGCSA-N 1 1 196.338 1.716 10 0 ADAEMO CCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C1CC1 82938997 573302140 /nfs/dbraw/zinc/30/21/40/573302140.db2.gz UAHHXIVYCHHUDD-VXGBXAGGSA-N 1 1 194.322 1.469 10 0 ADAEMO CC(C)[N@H+]1C[C@](C)(C2CC2)NC[C@@H]1C 82938305 573301398 /nfs/dbraw/zinc/30/13/98/573301398.db2.gz VCOWXHGNIFPUDX-CMPLNLGQSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)N1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C 82938305 573301405 /nfs/dbraw/zinc/30/14/05/573301405.db2.gz VCOWXHGNIFPUDX-CMPLNLGQSA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@H](C)[C@@H]1CN(CC)CCC[NH2+]1 82941143 573301439 /nfs/dbraw/zinc/30/14/39/573301439.db2.gz WZGQIWWSJMSMSR-QWRGUYRKSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@]1(C)CN[C@](C)(C2CC2)C[N@H+]1C 82938506 573301460 /nfs/dbraw/zinc/30/14/60/573301460.db2.gz XEIULJLEOFRPHX-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@]1(C)C[NH2+][C@](C)(C2CC2)CN1C 82938506 573301467 /nfs/dbraw/zinc/30/14/67/573301467.db2.gz XEIULJLEOFRPHX-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1CC 82937723 573301502 /nfs/dbraw/zinc/30/15/02/573301502.db2.gz BWPJOECSYZVEJD-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@H]1C[NH2+][C@](C)(CC)CN1CC 82937723 573301507 /nfs/dbraw/zinc/30/15/07/573301507.db2.gz BWPJOECSYZVEJD-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C 82938414 573301539 /nfs/dbraw/zinc/30/15/39/573301539.db2.gz DICULNBSLDRJSM-NWDGAFQWSA-N 1 1 196.338 1.715 10 0 ADAEMO [NH3+]CC(=O)c1ccc(Cl)c(F)c1 74278401 573301551 /nfs/dbraw/zinc/30/15/51/573301551.db2.gz HEYZEMWSRYASAK-UHFFFAOYSA-N 1 1 187.601 1.621 10 0 ADAEMO C[N@H+]1CCCCCC[NH2+]CC1 238337059 573301554 /nfs/dbraw/zinc/30/15/54/573301554.db2.gz RVZCGZNFWMHGIB-UHFFFAOYSA-N 1 1 156.273 1.082 10 0 ADAEMO CN1CCCCCC[NH2+]CC1 238337059 573301557 /nfs/dbraw/zinc/30/15/57/573301557.db2.gz RVZCGZNFWMHGIB-UHFFFAOYSA-N 1 1 156.273 1.082 10 0 ADAEMO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1C 82938415 573301574 /nfs/dbraw/zinc/30/15/74/573301574.db2.gz DICULNBSLDRJSM-VXGBXAGGSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C 82938415 573301582 /nfs/dbraw/zinc/30/15/82/573301582.db2.gz DICULNBSLDRJSM-VXGBXAGGSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@@H]([NH3+])C(C)(C)N1CCCCC1 74282328 573301650 /nfs/dbraw/zinc/30/16/50/573301650.db2.gz KRGDMKWNKSADDT-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@@H]1CNC2(CCCC2)C[N@H+]1C 82937993 573301656 /nfs/dbraw/zinc/30/16/56/573301656.db2.gz HYJZDUZNSBEBSL-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO COCNc1ccc2c(c1)[nH+]cn2C 259074255 573301658 /nfs/dbraw/zinc/30/16/58/573301658.db2.gz LZOHPXFFQFPZCO-UHFFFAOYSA-N 1 1 191.234 1.589 10 0 ADAEMO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1C 82938369 573301667 /nfs/dbraw/zinc/30/16/67/573301667.db2.gz SFMCCDMBJWNCEE-QWRGUYRKSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C 82938369 573301673 /nfs/dbraw/zinc/30/16/73/573301673.db2.gz SFMCCDMBJWNCEE-QWRGUYRKSA-N 1 1 182.311 1.469 10 0 ADAEMO C[N@H+]1C[C@H](C2CC2)NC[C@]1(C)C1CC1 82939153 573302149 /nfs/dbraw/zinc/30/21/49/573302149.db2.gz WOUFLHUBGIAGOJ-VXGBXAGGSA-N 1 1 194.322 1.469 10 0 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/nfs/dbraw/zinc/30/75/12/573307512.db2.gz VDTAFWRDKMFTII-UHFFFAOYSA-N 1 1 198.245 1.680 10 0 ADAEMO CNc1cc(NCCCCF)[nH+]cn1 308544269 573307515 /nfs/dbraw/zinc/30/75/15/573307515.db2.gz VDTAFWRDKMFTII-UHFFFAOYSA-N 1 1 198.245 1.680 10 0 ADAEMO C[N@H+]1C[C@@H]2CCC[C@H]2[NH2+]CC1(C)C 74300021 573307557 /nfs/dbraw/zinc/30/75/57/573307557.db2.gz YTXZYRFYOPPZOX-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO [NH3+]C[C@@]1(c2cccc(Cl)c2)CCN1 258255460 573307567 /nfs/dbraw/zinc/30/75/67/573307567.db2.gz QHQCANMMKMLTFF-SNVBAGLBSA-N 1 1 196.681 1.487 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC2CC2)CCCN1 82941832 573307621 /nfs/dbraw/zinc/30/76/21/573307621.db2.gz TWKZUFVOKJVABC-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@@H]1CN(CC2CC2)CCC[NH2+]1 82941832 573307623 /nfs/dbraw/zinc/30/76/23/573307623.db2.gz TWKZUFVOKJVABC-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO COC(=O)[C@@H]1CCCc2[nH+]c(C)cn21 259606300 573307631 /nfs/dbraw/zinc/30/76/31/573307631.db2.gz DHFJDXARJPSFLS-QMMMGPOBSA-N 1 1 194.234 1.242 10 0 ADAEMO CCC[N@H+]1CCCN[C@](C)(CC)C1 82942134 573307718 /nfs/dbraw/zinc/30/77/18/573307718.db2.gz WFNYNVARGIDPHX-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO C[C@H]1CC[NH2+]C2(CCCC2)C[N@H+]1C 82943156 573307902 /nfs/dbraw/zinc/30/79/02/573307902.db2.gz BHBWZDGMIZDDJC-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC1([N@H+]2CC[C@@H](CO)C2)CCCC1 82946647 573307956 /nfs/dbraw/zinc/30/79/56/573307956.db2.gz MJIRQPODXBPWEZ-SNVBAGLBSA-N 1 1 183.295 1.633 10 0 ADAEMO CC[N@H+]1CCC[NH2+][C@](C)(CC)C1 82942092 573308923 /nfs/dbraw/zinc/30/89/23/573308923.db2.gz LEQDLIOTUMZAJN-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO CC[C@]1(C)C[N@@H+](C)[C@H](C)CC[NH2+]1 82943627 573308547 /nfs/dbraw/zinc/30/85/47/573308547.db2.gz NCZOZNYNUHLPDY-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC1(C)CN(CC2CC2)CCC[NH2+]1 82941475 573309741 /nfs/dbraw/zinc/30/97/41/573309741.db2.gz GJJCAZRTJBSAKV-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@H](C)[C@@H]1C[N@@H+](C)[C@H](C)CC[NH2+]1 82942396 573308808 /nfs/dbraw/zinc/30/88/08/573308808.db2.gz OBOZXZWMNDOWPB-AXFHLTTASA-N 1 1 184.327 1.715 10 0 ADAEMO [NH3+]CCc1cc(C2CCCC2)[nH]n1 74304583 573308810 /nfs/dbraw/zinc/30/88/10/573308810.db2.gz WRQKFUYCJATJMK-UHFFFAOYSA-N 1 1 179.267 1.569 10 0 ADAEMO CC[C@H](C)[C@@H]1CN(C)[C@H](C)CC[NH2+]1 82942396 573308814 /nfs/dbraw/zinc/30/88/14/573308814.db2.gz OBOZXZWMNDOWPB-AXFHLTTASA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1C 82943550 573308889 /nfs/dbraw/zinc/30/88/89/573308889.db2.gz QRLSRECASHWWGT-SCZZXKLOSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](CO)C1 82946050 573308962 /nfs/dbraw/zinc/30/89/62/573308962.db2.gz VLCVIIUXSVJNBF-VWYCJHECSA-N 1 1 183.295 1.489 10 0 ADAEMO CC[C@H]1CN(CC)CCC[NH2+]1 82941828 573309091 /nfs/dbraw/zinc/30/90/91/573309091.db2.gz CWNVJUXJOAEMHF-VIFPVBQESA-N 1 1 156.273 1.080 10 0 ADAEMO CC(C)C[N@H+]1CCCN[C@H](C2CC2)C1 82942025 573309117 /nfs/dbraw/zinc/30/91/17/573309117.db2.gz HIQOLPFCJAXJHW-LBPRGKRZSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1C 82943216 573309163 /nfs/dbraw/zinc/30/91/63/573309163.db2.gz DXCPQCHPIASENY-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H]1C[N@H+](C(C)C)CCCN1 82941856 573309276 /nfs/dbraw/zinc/30/92/76/573309276.db2.gz XNSUSPMSXPMSAK-SNVBAGLBSA-N 1 1 170.300 1.469 10 0 ADAEMO [NH3+]C[C@@]1(c2ccc(Cl)cc2)CCN1 257999702 573309280 /nfs/dbraw/zinc/30/92/80/573309280.db2.gz DYJYVRRFAJNFRX-SNVBAGLBSA-N 1 1 196.681 1.487 10 0 ADAEMO CC[C@@H]1CN(C(C)C)CCC[NH2+]1 82941856 573309283 /nfs/dbraw/zinc/30/92/83/573309283.db2.gz XNSUSPMSXPMSAK-SNVBAGLBSA-N 1 1 170.300 1.469 10 0 ADAEMO CCC[N@H+]1CCCN[C@@](C)(C2CC2)C1 82941708 573309442 /nfs/dbraw/zinc/30/94/42/573309442.db2.gz AZTPYTRWSFFQNR-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CCCN1CCC[NH2+][C@@](C)(C2CC2)C1 82941708 573309450 /nfs/dbraw/zinc/30/94/50/573309450.db2.gz AZTPYTRWSFFQNR-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO [NH3+]C[C@]1(c2ccc(Cl)cc2)CCN1 257999700 573309473 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182.311 1.470 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CC[C@H](CO)C1 82945831 573309683 /nfs/dbraw/zinc/30/96/83/573309683.db2.gz WXUWLOXLVHIIOV-BDAKNGLRSA-N 1 1 169.268 1.099 10 0 ADAEMO CC[C@@]1(C)C[N@@H+](C)CCC[NH2+]1 82942157 573309693 /nfs/dbraw/zinc/30/96/93/573309693.db2.gz HGGNZTSCJSELHG-VIFPVBQESA-N 1 1 156.273 1.080 10 0 ADAEMO CC[C@@]1(C)CN(C)CCC[NH2+]1 82942157 573309701 /nfs/dbraw/zinc/30/97/01/573309701.db2.gz HGGNZTSCJSELHG-VIFPVBQESA-N 1 1 156.273 1.080 10 0 ADAEMO CC(C)(C[NH3+])[C@H](N)c1cccc(F)c1 259413671 573311552 /nfs/dbraw/zinc/31/15/52/573311552.db2.gz OPWWQQASTDDJGZ-SNVBAGLBSA-N 1 1 196.269 1.810 10 0 ADAEMO C[C@@H]1C[N@@H+](C)Cc2c1c[nH]c2C=O 74306089 573311701 /nfs/dbraw/zinc/31/17/01/573311701.db2.gz YVIAQSYDOKZMRZ-SSDOTTSWSA-N 1 1 178.235 1.376 10 0 ADAEMO CNc1[nH]cc(-c2cccnc2)[nH+]1 259081376 573310439 /nfs/dbraw/zinc/31/04/39/573310439.db2.gz LVBIWGQNOUYQJW-UHFFFAOYSA-N 1 1 174.207 1.513 10 0 ADAEMO CCC(C)(C)[N@H+]1CC[C@H](CO)C1 82946517 573310452 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XSBLSDUSUAGOMQ-QMMMGPOBSA-N 1 1 179.267 1.172 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@@H](CC[NH3+])C2 74304430 573310803 /nfs/dbraw/zinc/31/08/03/573310803.db2.gz XSBLSDUSUAGOMQ-QMMMGPOBSA-N 1 1 179.267 1.172 10 0 ADAEMO C[C@H]1CC[C@]1(CN)[N@@H+](C)CC1CCC1 308546161 573310815 /nfs/dbraw/zinc/31/08/15/573310815.db2.gz PTVFIUBJQMRLPV-CMPLNLGQSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)c1[nH]nc2c1C[C@H]([NH3+])CC2 74304563 573310821 /nfs/dbraw/zinc/31/08/21/573310821.db2.gz XKRCPZNRUILTQX-SSDOTTSWSA-N 1 1 179.267 1.349 10 0 ADAEMO CC[C@@H]1CN(CC)CCC[NH2+]1 82941827 573310826 /nfs/dbraw/zinc/31/08/26/573310826.db2.gz CWNVJUXJOAEMHF-SECBINFHSA-N 1 1 156.273 1.080 10 0 ADAEMO CC(C)c1[nH]nc2c1C[C@@H]([NH3+])CC2 74304561 573310854 /nfs/dbraw/zinc/31/08/54/573310854.db2.gz XKRCPZNRUILTQX-ZETCQYMHSA-N 1 1 179.267 1.349 10 0 ADAEMO C[N@H+]1CCc2ccncc2C1 198095458 573310869 /nfs/dbraw/zinc/31/08/69/573310869.db2.gz VUEIFZAGWOPJEY-UHFFFAOYSA-N 1 1 148.209 1.070 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](C)[C@H](C)CC[NH2+]1 82942306 573310881 /nfs/dbraw/zinc/31/08/81/573310881.db2.gz SCYOPZAWZONRQJ-ZJUUUORDSA-N 1 1 170.300 1.325 10 0 ADAEMO c1coc(C[NH2+]Cc2ccnnc2)c1 132453918 573310888 /nfs/dbraw/zinc/31/08/88/573310888.db2.gz CGSNBQRRPXYAAP-UHFFFAOYSA-N 1 1 189.218 1.359 10 0 ADAEMO CC[C@H]1C[N@H+](C(C)C)CCCN1 82941858 573311050 /nfs/dbraw/zinc/31/10/50/573311050.db2.gz XNSUSPMSXPMSAK-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H]1CN(C(C)C)CCC[NH2+]1 82941858 573311056 /nfs/dbraw/zinc/31/10/56/573311056.db2.gz XNSUSPMSXPMSAK-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO C=Cc1cc(C)c[nH+]c1N 209761554 573311066 /nfs/dbraw/zinc/31/10/66/573311066.db2.gz QFGCZRWUASCECG-UHFFFAOYSA-N 1 1 134.182 1.615 10 0 ADAEMO CN1CCC[C@@H]1[C@@]1(C)CCC[NH2+]1 258627597 573311099 /nfs/dbraw/zinc/31/10/99/573311099.db2.gz XJGBCUOSPAKMIJ-NXEZZACHSA-N 1 1 168.284 1.223 10 0 ADAEMO CCC[N@H+]1CCCN[C@H](CC)C1 82941884 573311116 /nfs/dbraw/zinc/31/11/16/573311116.db2.gz GUHFGDMUDMDFIL-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO COC(=O)[C@H](C)[NH2+]CC1CC(C)(C)C1 308546258 573311121 /nfs/dbraw/zinc/31/11/21/573311121.db2.gz VUZFFDMMZKASSP-QMMMGPOBSA-N 1 1 199.294 1.574 10 0 ADAEMO CCCN1CCC[NH2+][C@H](CC)C1 82941884 573311122 /nfs/dbraw/zinc/31/11/22/573311122.db2.gz GUHFGDMUDMDFIL-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO Cc1nc2c([nH]1)C[C@@H](CC[NH3+])CC2 74304431 573311134 /nfs/dbraw/zinc/31/11/34/573311134.db2.gz XSBLSDUSUAGOMQ-MRVPVSSYSA-N 1 1 179.267 1.172 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@H](CC[NH3+])C2 74304431 573311140 /nfs/dbraw/zinc/31/11/40/573311140.db2.gz XSBLSDUSUAGOMQ-MRVPVSSYSA-N 1 1 179.267 1.172 10 0 ADAEMO CC[C@H]1C[N@@H+](CC(C)C)CCCN1 82941831 573311192 /nfs/dbraw/zinc/31/11/92/573311192.db2.gz LSCSHAMYSASCBK-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@H]1CN(CC(C)C)CCC[NH2+]1 82941831 573311198 /nfs/dbraw/zinc/31/11/98/573311198.db2.gz LSCSHAMYSASCBK-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1C 82943295 573311216 /nfs/dbraw/zinc/31/12/16/573311216.db2.gz STQBFOQHWHBNKE-ZJUUUORDSA-N 1 1 184.327 1.715 10 0 ADAEMO C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C1CC1 238345802 573311217 /nfs/dbraw/zinc/31/12/17/573311217.db2.gz SZQCAQDZEQNGBN-UWVGGRQHSA-N 1 1 168.284 1.066 10 0 ADAEMO CC[C@@]1(C)C[N@H+](C(C)C)CCCN1 82942112 573311252 /nfs/dbraw/zinc/31/12/52/573311252.db2.gz LTTNOYPIDLRAAA-NSHDSACASA-N 1 1 184.327 1.859 10 0 ADAEMO Cc1[nH]c(-c2cccnc2)c(N)[nH+]1 106775340 573311288 /nfs/dbraw/zinc/31/12/88/573311288.db2.gz HUUYHDZBSYPKGX-UHFFFAOYSA-N 1 1 174.207 1.362 10 0 ADAEMO C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1C 82943219 573311330 /nfs/dbraw/zinc/31/13/30/573311330.db2.gz DXCPQCHPIASENY-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO CCSCC[N@H+](CCN)C(C)C 129342495 573311366 /nfs/dbraw/zinc/31/13/66/573311366.db2.gz OMIXKQNASMVXDS-UHFFFAOYSA-N 1 1 190.356 1.409 10 0 ADAEMO CCSCC[N@@H+](CCN)C(C)C 129342495 573311373 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573333092 /nfs/dbraw/zinc/33/30/92/573333092.db2.gz GRFVUZGHIKSRLJ-MRVPVSSYSA-N 1 1 194.282 1.110 10 0 ADAEMO Cc1[nH]nc([C@@H]2CCC[N@H+](C)C2)c1N 259088922 573333099 /nfs/dbraw/zinc/33/30/99/573333099.db2.gz GRFVUZGHIKSRLJ-MRVPVSSYSA-N 1 1 194.282 1.110 10 0 ADAEMO CCCOC[C@H]([NH3+])c1ncc(C)cn1 132653298 573333152 /nfs/dbraw/zinc/33/31/52/573333152.db2.gz YMPRPEZUVJAHIY-VIFPVBQESA-N 1 1 195.266 1.211 10 0 ADAEMO CCOC[C@@H]([NH2+]C)c1ncc(C)cn1 132684804 573333230 /nfs/dbraw/zinc/33/32/30/573333230.db2.gz PMIANEMYRQXTEQ-SECBINFHSA-N 1 1 195.266 1.082 10 0 ADAEMO CC[N@H+]1CC[C@@]2(CCSC2)C1 143625162 573333271 /nfs/dbraw/zinc/33/32/71/573333271.db2.gz WHXFASZDUBNIGO-SECBINFHSA-N 1 1 171.309 1.835 10 0 ADAEMO C1CCC2(C1)CN[C@H](C1CC1)C[NH2+]2 82960914 573334999 /nfs/dbraw/zinc/33/49/99/573334999.db2.gz AWECDHASITYGGB-JTQLQIEISA-N 1 1 180.295 1.271 10 0 ADAEMO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1 82960775 573335004 /nfs/dbraw/zinc/33/50/04/573335004.db2.gz MGHMXVABHQHBCO-ZJUUUORDSA-N 1 1 168.284 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1.483 10 0 ADAEMO CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960689 573339543 /nfs/dbraw/zinc/33/95/43/573339543.db2.gz ZSWDKMSHLJNRLL-ZJUUUORDSA-N 1 1 184.327 1.619 10 0 ADAEMO C[N@H+]1C[C@]2(C)C[C@@]23CCC(=O)C[C@@H]13 238354887 573339588 /nfs/dbraw/zinc/33/95/88/573339588.db2.gz MPHSMSQVWJBFOA-OUAUKWLOSA-N 1 1 179.263 1.450 10 0 ADAEMO CCN[C@H](C[NH3+])c1ccccc1C 50270103 573339591 /nfs/dbraw/zinc/33/95/91/573339591.db2.gz VMGMYZXQCWNTCF-LLVKDONJSA-N 1 1 178.279 1.604 10 0 ADAEMO CC[C@H](C)[C@@H]1C[NH2+]C(C)(C)CN1 82960717 573339601 /nfs/dbraw/zinc/33/96/01/573339601.db2.gz OOZLRNIGSPMXDW-IUCAKERBSA-N 1 1 170.300 1.373 10 0 ADAEMO C[C@]1(C2CC2)C[NH2+][C@](C)(C2CC2)CN1 82960952 573339616 /nfs/dbraw/zinc/33/96/16/573339616.db2.gz XKKKLIPTFOPBGR-TXEJJXNPSA-N 1 1 194.322 1.517 10 0 ADAEMO CC1(C)CN[C@H](C(C)(C)C)C[NH2+]1 82960722 573339630 /nfs/dbraw/zinc/33/96/30/573339630.db2.gz PFLGFYLOETYTCM-QMMMGPOBSA-N 1 1 170.300 1.373 10 0 ADAEMO C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1 82960615 573339645 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196.338 1.763 10 0 ADAEMO Cc1cnc([C@@H]([NH3+])COC(C)C)nc1 132648958 573339769 /nfs/dbraw/zinc/33/97/69/573339769.db2.gz PJBZJZBJAOABTG-VIFPVBQESA-N 1 1 195.266 1.210 10 0 ADAEMO CC[C@H]1CN[C@H](C(C)(C)C)C[NH2+]1 82960748 573339779 /nfs/dbraw/zinc/33/97/79/573339779.db2.gz NQKBMGKNEDAMCE-IUCAKERBSA-N 1 1 170.300 1.373 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+][C@@H](C2CC2)CN1 82960821 573341145 /nfs/dbraw/zinc/34/11/45/573341145.db2.gz FAOLKEAQISHUJB-GHMZBOCLSA-N 1 1 182.311 1.373 10 0 ADAEMO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N 259421887 573339809 /nfs/dbraw/zinc/33/98/09/573339809.db2.gz MTQYEZDNGREZFA-GZMMTYOYSA-N 1 1 194.278 1.303 10 0 ADAEMO CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1 82960703 573339836 /nfs/dbraw/zinc/33/98/36/573339836.db2.gz DNHSMDWDMFSNSZ-SNVBAGLBSA-N 1 1 182.311 1.517 10 0 ADAEMO CN[C@@H](c1ccccc1F)[C@@H](C)C[NH3+] 259423516 573339858 /nfs/dbraw/zinc/33/98/58/573339858.db2.gz MVJQWNSYZSNMEQ-GZMMTYOYSA-N 1 1 196.269 1.681 10 0 ADAEMO CNc1nc(C)c([C@@H]2CC[N@@H+](C)C2)o1 259090474 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/nfs/dbraw/zinc/34/02/90/573340290.db2.gz SXDNBNUFJFAWPK-QWRGUYRKSA-N 1 1 184.327 1.763 10 0 ADAEMO CN(C)CC[C@]1(C)[NH2+]CC(C)(C)O1 258305268 573340301 /nfs/dbraw/zinc/34/03/01/573340301.db2.gz CQUMQLMHLFSHBL-SNVBAGLBSA-N 1 1 186.299 1.053 10 0 ADAEMO CC(C)(C)[C@H]1C[NH2+]C2(CCCC2)CN1 82960808 573340347 /nfs/dbraw/zinc/34/03/47/573340347.db2.gz CGJJUHTZSAFJBU-SNVBAGLBSA-N 1 1 196.338 1.907 10 0 ADAEMO CCN[C@H](C[NH3+])c1cccc(Cl)c1 50270121 573340379 /nfs/dbraw/zinc/34/03/79/573340379.db2.gz FJVYFOFYOOPPFN-SNVBAGLBSA-N 1 1 198.697 1.949 10 0 ADAEMO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960688 573340396 /nfs/dbraw/zinc/34/03/96/573340396.db2.gz ZSWDKMSHLJNRLL-UWVGGRQHSA-N 1 1 184.327 1.619 10 0 ADAEMO CC[C@]1(C)CN[C@H](C2CC2)C[NH2+]1 82960885 573340413 /nfs/dbraw/zinc/34/04/13/573340413.db2.gz LPPYHQWSVJFMEV-VHSXEESVSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@@]1(C2CC2)CN[C@H](C2CC2)C[NH2+]1 82960942 573340437 /nfs/dbraw/zinc/34/04/37/573340437.db2.gz PTUNWCQAJORHTO-QWRGUYRKSA-N 1 1 180.295 1.127 10 0 ADAEMO C[C@H](O)[C@@H](C)Sc1cc(N)cc[nH+]1 235561636 573340439 /nfs/dbraw/zinc/34/04/39/573340439.db2.gz YFFXIDMEKMRTBD-NKWVEPMBSA-N 1 1 198.291 1.525 10 0 ADAEMO CC(C)Cc1cc([C@@H](C)[NH3+])n[nH]1 258631340 573340459 /nfs/dbraw/zinc/34/04/59/573340459.db2.gz XVRJGZZVCKENEF-SSDOTTSWSA-N 1 1 167.256 1.628 10 0 ADAEMO C/C=C/CC[NH2+][C@@H]1CCN(C)C[C@@H]1C 129589542 573340472 /nfs/dbraw/zinc/34/04/72/573340472.db2.gz AMWXACHVRVCXRK-RUULKOMLSA-N 1 1 196.338 1.882 10 0 ADAEMO CC[C@@]1(C)CN[C@@](C)(C2CC2)C[NH2+]1 82960907 573340496 /nfs/dbraw/zinc/34/04/96/573340496.db2.gz RSKINUXNGXDGMZ-WDEREUQCSA-N 1 1 182.311 1.517 10 0 ADAEMO CCC[C@H]1C[NH2+][C@](C)(C2CC2)CN1 82960675 573340518 /nfs/dbraw/zinc/34/05/18/573340518.db2.gz LJZOULYXRXZGKE-QWRGUYRKSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@@H]1CN[C@@H](C2CCCCC2)C[NH2+]1 82960618 573340543 /nfs/dbraw/zinc/34/05/43/573340543.db2.gz UQLRPQWFWHCWSZ-MWLCHTKSSA-N 1 1 182.311 1.517 10 0 ADAEMO CC[C@H](C)[C@H]1C[NH2+][C@H](CC)CN1 82960737 573340559 /nfs/dbraw/zinc/34/05/59/573340559.db2.gz ZZYKGWOYGZTVJE-IVZWLZJFSA-N 1 1 170.300 1.373 10 0 ADAEMO CC[C@H]1C[NH2+]C2(CCCC2)CN1 82960770 573340572 /nfs/dbraw/zinc/34/05/72/573340572.db2.gz LSCOZORFDGDVKB-VIFPVBQESA-N 1 1 168.284 1.271 10 0 ADAEMO C[C@@H]1CN[C@H](C2CCCCC2)C[NH2+]1 82960616 573340584 /nfs/dbraw/zinc/34/05/84/573340584.db2.gz UQLRPQWFWHCWSZ-KOLCDFICSA-N 1 1 182.311 1.517 10 0 ADAEMO CC[C@H](C)[C@@H]1C[NH2+]C2(CCCC2)CN1 82960874 573340595 /nfs/dbraw/zinc/34/05/95/573340595.db2.gz AOVIEDACSAWQME-QWRGUYRKSA-N 1 1 196.338 1.907 10 0 ADAEMO CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1 82960691 573340626 /nfs/dbraw/zinc/34/06/26/573340626.db2.gz ZSWDKMSHLJNRLL-NXEZZACHSA-N 1 1 184.327 1.619 10 0 ADAEMO CCC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1 82960673 573340667 /nfs/dbraw/zinc/34/06/67/573340667.db2.gz LJZOULYXRXZGKE-WDEREUQCSA-N 1 1 182.311 1.517 10 0 ADAEMO CC[C@]1(C)CN[C@H](CC(C)C)C[NH2+]1 82960827 573340720 /nfs/dbraw/zinc/34/07/20/573340720.db2.gz SXDNBNUFJFAWPK-GHMZBOCLSA-N 1 1 184.327 1.763 10 0 ADAEMO CC1(C)CN[C@](C)(C2CC2)C[NH2+]1 82960732 573340727 /nfs/dbraw/zinc/34/07/27/573340727.db2.gz HYGDERYZDGUQSH-JTQLQIEISA-N 1 1 168.284 1.127 10 0 ADAEMO CC[C@H](C)[C@H]1C[NH2+]C2(CCCC2)CN1 82960876 573340744 /nfs/dbraw/zinc/34/07/44/573340744.db2.gz AOVIEDACSAWQME-WDEREUQCSA-N 1 1 196.338 1.907 10 0 ADAEMO CCC[C@H]1C[NH2+]C(C)(C)CN1 82960661 573340756 /nfs/dbraw/zinc/34/07/56/573340756.db2.gz GEWMGPCLCBYNNT-QMMMGPOBSA-N 1 1 156.273 1.127 10 0 ADAEMO CCC1(CC)C[NH2+][C@](C)(CC)CN1 82960900 573340765 /nfs/dbraw/zinc/34/07/65/573340765.db2.gz BVOUNRKQSUCBAX-SNVBAGLBSA-N 1 1 184.327 1.907 10 0 ADAEMO C[C@]1(C2CC2)CN[C@H](C2CC2)C[NH2+]1 82960941 573340780 /nfs/dbraw/zinc/34/07/80/573340780.db2.gz PTUNWCQAJORHTO-WDEREUQCSA-N 1 1 180.295 1.127 10 0 ADAEMO COc1cccc2c1[C@@H](O)C[N@@H+](C)C2 238362858 573340781 /nfs/dbraw/zinc/34/07/81/573340781.db2.gz CMQFFLCZKCKTRG-VIFPVBQESA-N 1 1 193.246 1.174 10 0 ADAEMO CC[N@H+]1CCCC[C@H](C(=O)OC)[C@H]1C 259609008 573341425 /nfs/dbraw/zinc/34/14/25/573341425.db2.gz HCVLOPBUSCTUCW-ZJUUUORDSA-N 1 1 199.294 1.670 10 0 ADAEMO CC[C@@]1(C)CN[C@@H](C(C)(C)C)C[NH2+]1 82960804 573340795 /nfs/dbraw/zinc/34/07/95/573340795.db2.gz ABLQJXLCUFITGX-KOLCDFICSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960641 573340840 /nfs/dbraw/zinc/34/08/40/573340840.db2.gz HSOLXALXRCJHNY-UWVGGRQHSA-N 1 1 184.327 1.763 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+][C@H](C2CC2)CN1 82960819 573340885 /nfs/dbraw/zinc/34/08/85/573340885.db2.gz FAOLKEAQISHUJB-MNOVXSKESA-N 1 1 182.311 1.373 10 0 ADAEMO CC[C@H]1CN[C@@H](C2CCCCC2)C[NH2+]1 82960758 573340900 /nfs/dbraw/zinc/34/09/00/573340900.db2.gz BNQGXCSILYZGMW-NWDGAFQWSA-N 1 1 196.338 1.907 10 0 ADAEMO CCN[C@H](C[NH3+])c1sccc1C 50270153 573340941 /nfs/dbraw/zinc/34/09/41/573340941.db2.gz DMKCFWOFVWGMFB-MRVPVSSYSA-N 1 1 184.308 1.666 10 0 ADAEMO Cc1ccc([C@@H](CN)[NH2+]C2CC2)cc1 50271109 573341434 /nfs/dbraw/zinc/34/14/34/573341434.db2.gz KRSWDCOJUPENIC-GFCCVEGCSA-N 1 1 190.290 1.747 10 0 ADAEMO CC[N@@H+](C)C[C@H](O)C[C@@H]1CCCC1=O 308554051 573340956 /nfs/dbraw/zinc/34/09/56/573340956.db2.gz YUONXPWBOINTBB-VHSXEESVSA-N 1 1 199.294 1.058 10 0 ADAEMO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1 82960776 573340958 /nfs/dbraw/zinc/34/09/58/573340958.db2.gz MGHMXVABHQHBCO-UWVGGRQHSA-N 1 1 168.284 1.127 10 0 ADAEMO COC(=O)C[C@H](C)[N@@H+](C)CCC1CC1 308555028 573340988 /nfs/dbraw/zinc/34/09/88/573340988.db2.gz YZWMJNRXRQFCIY-VIFPVBQESA-N 1 1 199.294 1.670 10 0 ADAEMO C[N@H+]1CC[C@H](CC2(O)CCCC2)C1 258005062 573341003 /nfs/dbraw/zinc/34/10/03/573341003.db2.gz MIUUGXQLSJVANT-SNVBAGLBSA-N 1 1 183.295 1.633 10 0 ADAEMO CCC[C@H]1C[NH2+][C@@](C)(CC)CN1 82960663 573341043 /nfs/dbraw/zinc/34/10/43/573341043.db2.gz YOTYIYVUYAFPGG-UWVGGRQHSA-N 1 1 170.300 1.517 10 0 ADAEMO Cc1ccc2c(c1)C[N@@H+](C)CC2 74447855 573341052 /nfs/dbraw/zinc/34/10/52/573341052.db2.gz HDBJNDOJCRITFC-UHFFFAOYSA-N 1 1 161.248 1.983 10 0 ADAEMO CC[C@]1(C)CN[C@@H](CC(C)C)C[NH2+]1 82960829 573341066 /nfs/dbraw/zinc/34/10/66/573341066.db2.gz SXDNBNUFJFAWPK-WDEREUQCSA-N 1 1 184.327 1.763 10 0 ADAEMO OCCCc1[nH]cc(C2CCC2)[nH+]1 259091296 573341068 /nfs/dbraw/zinc/34/10/68/573341068.db2.gz MZKWTHKWSCJZMU-UHFFFAOYSA-N 1 1 180.251 1.602 10 0 ADAEMO CC(C)C[C@H]1C[NH2+][C@](C)(C2CC2)CN1 82960840 573341081 /nfs/dbraw/zinc/34/10/81/573341081.db2.gz CLXDZIHCBXBYJL-RYUDHWBXSA-N 1 1 196.338 1.763 10 0 ADAEMO NC[C@@H]([NH2+]C1CC1)c1ccsc1 50271141 573341094 /nfs/dbraw/zinc/34/10/94/573341094.db2.gz XWYSIJCDIUJFOG-SECBINFHSA-N 1 1 182.292 1.500 10 0 ADAEMO C1CCC2(CC1)C[NH2+][C@H](C1CC1)CN2 82960925 573341135 /nfs/dbraw/zinc/34/11/35/573341135.db2.gz LWNWZFNAUGYQAL-NSHDSACASA-N 1 1 194.322 1.661 10 0 ADAEMO C[C@H]1C[C@H]1c1nnc([C@@H](C)[NH3+])o1 50284241 573341143 /nfs/dbraw/zinc/34/11/43/573341143.db2.gz INFMBJAQCISFLP-KVQBGUIXSA-N 1 1 167.212 1.213 10 0 ADAEMO CC[C@H]1CN[C@@H](C(C)(C)C)C[NH2+]1 82960750 573341169 /nfs/dbraw/zinc/34/11/69/573341169.db2.gz NQKBMGKNEDAMCE-DTWKUNHWSA-N 1 1 170.300 1.373 10 0 ADAEMO Cc1ccc([C@H](CN)[NH2+]C(C)C)o1 50270795 573341175 /nfs/dbraw/zinc/34/11/75/573341175.db2.gz HGTIRJRVOHKJBW-VIFPVBQESA-N 1 1 182.267 1.586 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](C(=O)OC)[C@H]1C 259609006 573341182 /nfs/dbraw/zinc/34/11/82/573341182.db2.gz HCVLOPBUSCTUCW-NXEZZACHSA-N 1 1 199.294 1.670 10 0 ADAEMO CCC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1 82960642 573341193 /nfs/dbraw/zinc/34/11/93/573341193.db2.gz HSOLXALXRCJHNY-NXEZZACHSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC[C@@H]1CN[C@@H](C2CC2)C[NH2+]1 82960638 573341206 /nfs/dbraw/zinc/34/12/06/573341206.db2.gz HIUYOROZPBMEBE-NXEZZACHSA-N 1 1 168.284 1.127 10 0 ADAEMO OCCNc1[nH+]ccc2ccccc12 74389112 573341255 /nfs/dbraw/zinc/34/12/55/573341255.db2.gz MWIQYHYVILITSC-UHFFFAOYSA-N 1 1 188.230 1.639 10 0 ADAEMO CCN[C@@H](C[NH3+])c1ccc(C)c(C)c1 50270325 573341256 /nfs/dbraw/zinc/34/12/56/573341256.db2.gz PZRCDBFPYCOODD-LBPRGKRZSA-N 1 1 192.306 1.913 10 0 ADAEMO CC(C)N[C@@H](C[NH3+])c1ccc(F)cc1 50270850 573341275 /nfs/dbraw/zinc/34/12/75/573341275.db2.gz QRLSXOYRDCCIIJ-NSHDSACASA-N 1 1 196.269 1.824 10 0 ADAEMO Cc1cccc([C@H](C[NH3+])NC(C)C)c1 50270777 573341290 /nfs/dbraw/zinc/34/12/90/573341290.db2.gz LDHXMBQWRBYYNG-LBPRGKRZSA-N 1 1 192.306 1.993 10 0 ADAEMO C[C@H](CCC1CCC1)[NH+]1CCNCC1 259423133 573341349 /nfs/dbraw/zinc/34/13/49/573341349.db2.gz PBOZEPHLZBUADD-LLVKDONJSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)CCc1nnc([C@H](C)[NH3+])o1 50284309 573341362 /nfs/dbraw/zinc/34/13/62/573341362.db2.gz OCTXOBSXDFPQJL-ZETCQYMHSA-N 1 1 183.255 1.678 10 0 ADAEMO CCc1[nH+]c([C@@]2(C)C[C@@H]2C)c(N)n1N 714675497 573343200 /nfs/dbraw/zinc/34/32/00/573343200.db2.gz BSICZUGGPDRSAN-WKEGUHRASA-N 1 1 194.282 1.039 10 0 ADAEMO CC(C)N[C@H](C[NH3+])c1ccccc1 50270916 573343210 /nfs/dbraw/zinc/34/32/10/573343210.db2.gz JVNSMNSURRNHGI-LLVKDONJSA-N 1 1 178.279 1.684 10 0 ADAEMO Cc1coc([C@H](O)[C@@H]2CC[N@H+](C)C2)c1 715777353 573342875 /nfs/dbraw/zinc/34/28/75/573342875.db2.gz HIZVOPPDBZWILN-MWLCHTKSSA-N 1 1 195.262 1.573 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CN)C1CCCC1 50272142 573342887 /nfs/dbraw/zinc/34/28/87/573342887.db2.gz RXWWHAIYRGZKAT-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)[NH2+][C@H](CN)c1ccco1 50270847 573342912 /nfs/dbraw/zinc/34/29/12/573342912.db2.gz MRDRKWKUJNPPTC-MRVPVSSYSA-N 1 1 168.240 1.277 10 0 ADAEMO C[N@@H+](CC1CC1)[C@H](CN)C1CCCC1 50272229 573342953 /nfs/dbraw/zinc/34/29/53/573342953.db2.gz MCJCPSCOAZCTHX-GFCCVEGCSA-N 1 1 196.338 1.846 10 0 ADAEMO NC[C@H]([NH2+]C1CC1)c1ccccc1 50271252 573342967 /nfs/dbraw/zinc/34/29/67/573342967.db2.gz RYDONUAMJLQGAC-NSHDSACASA-N 1 1 176.263 1.438 10 0 ADAEMO CCN[C@@H](C[NH3+])c1ccc(Cl)cc1 50270156 573342984 /nfs/dbraw/zinc/34/29/84/573342984.db2.gz LVSQBTUCSHPCSU-JTQLQIEISA-N 1 1 198.697 1.949 10 0 ADAEMO CC(C)CCc1nnc(C[NH3+])o1 50283492 573343001 /nfs/dbraw/zinc/34/30/01/573343001.db2.gz MMMQPKNRHUWTKS-UHFFFAOYSA-N 1 1 169.228 1.117 10 0 ADAEMO CCOC(=O)[C@H]([NH2+]C)C1CCCC1 50272626 573343041 /nfs/dbraw/zinc/34/30/41/573343041.db2.gz OBKWCCDMAXQXTR-SECBINFHSA-N 1 1 185.267 1.328 10 0 ADAEMO CCCN[C@@H](C[NH3+])c1ccsc1 50270470 573343055 /nfs/dbraw/zinc/34/30/55/573343055.db2.gz ALBYCDBVGMQDIA-VIFPVBQESA-N 1 1 184.308 1.748 10 0 ADAEMO C/C=C/CC[NH2+][C@H]1CCN(C)C[C@@H]1C 129589732 573343058 /nfs/dbraw/zinc/34/30/58/573343058.db2.gz AMWXACHVRVCXRK-XMXMHJJKSA-N 1 1 196.338 1.882 10 0 ADAEMO NC[C@@H]([NH2+]C1CC1)c1cccc(F)c1 50271133 573343094 /nfs/dbraw/zinc/34/30/94/573343094.db2.gz UWLQVFAQRFSGTR-LLVKDONJSA-N 1 1 194.253 1.578 10 0 ADAEMO NC[C@H]([NH2+]C1CC1)c1ccc(F)cc1 50271186 573343113 /nfs/dbraw/zinc/34/31/13/573343113.db2.gz ILJIIAIAYIJEPB-NSHDSACASA-N 1 1 194.253 1.578 10 0 ADAEMO NC[C@@H]([NH2+]C1CC1)c1cccs1 50271175 573343124 /nfs/dbraw/zinc/34/31/24/573343124.db2.gz MMCJAZHLUQVHEP-MRVPVSSYSA-N 1 1 182.292 1.500 10 0 ADAEMO COCC(C)(C)[N@@H+](C)CC[C@@H](C)[NH3+] 308350574 573343170 /nfs/dbraw/zinc/34/31/70/573343170.db2.gz YCCFZQNNNWIBKR-SECBINFHSA-N 1 1 188.315 1.081 10 0 ADAEMO Cc1cccc([C@@H](CN)[NH2+]C2CC2)c1 50271111 573343905 /nfs/dbraw/zinc/34/39/05/573343905.db2.gz SVGVZRZIGZBEDK-GFCCVEGCSA-N 1 1 190.290 1.747 10 0 ADAEMO C[NH2+]N1[C@@H](C)CCC[C@@H]1C 78097182 573343985 /nfs/dbraw/zinc/34/39/85/573343985.db2.gz HEGQBHMCUGVFEK-YUMQZZPRSA-N 1 1 142.246 1.384 10 0 ADAEMO CCC(CC)c1nnc(C[NH3+])o1 50283463 573343988 /nfs/dbraw/zinc/34/39/88/573343988.db2.gz BHCPWZBQLHHKJR-UHFFFAOYSA-N 1 1 169.228 1.432 10 0 ADAEMO CC(C)[N@@H+](C)[C@H](CN)C1CCCC1 50272049 573343999 /nfs/dbraw/zinc/34/39/99/573343999.db2.gz RLMFLGYIBSYJOH-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CCCN[C@@H](C[NH3+])c1ccccc1 50270580 573344025 /nfs/dbraw/zinc/34/40/25/573344025.db2.gz BLOBZTUQNUJPNN-NSHDSACASA-N 1 1 178.279 1.686 10 0 ADAEMO CC[N@H+](C1CC1)[C@@H](CN)C1CCCC1 50272126 573344063 /nfs/dbraw/zinc/34/40/63/573344063.db2.gz KFNOTSRTCDZAIY-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CCN(C1CC1)[C@@H](C[NH3+])C1CCCC1 50272126 573344070 /nfs/dbraw/zinc/34/40/70/573344070.db2.gz KFNOTSRTCDZAIY-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CCN[C@H](C[NH3+])c1ccc(C)cc1C 50270143 573344082 /nfs/dbraw/zinc/34/40/82/573344082.db2.gz RRKQZUZCRPTYCE-GFCCVEGCSA-N 1 1 192.306 1.913 10 0 ADAEMO CC(C)N[C@H](C[NH3+])c1cccs1 50270841 573344222 /nfs/dbraw/zinc/34/42/22/573344222.db2.gz ANPRPNXJQXQXRM-MRVPVSSYSA-N 1 1 184.308 1.746 10 0 ADAEMO CC(C)[NH2+][C@H](CN)c1cccnc1 50270891 573344249 /nfs/dbraw/zinc/34/42/49/573344249.db2.gz UHKMPWXHPCOTRH-SNVBAGLBSA-N 1 1 179.267 1.079 10 0 ADAEMO Cc1ccc([C@@H](C[NH3+])NC(C)C)cc1 50270774 573344288 /nfs/dbraw/zinc/34/42/88/573344288.db2.gz AZXZSWJEVNIWPR-GFCCVEGCSA-N 1 1 192.306 1.993 10 0 ADAEMO CC[C@]1([C@@H]2CCCN2C)CCC[NH2+]1 258288131 573344306 /nfs/dbraw/zinc/34/43/06/573344306.db2.gz SYPCAGJOHSOFPJ-WDEREUQCSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[NH2+][C@@H](CN)c1ccccc1F 50270576 573345706 /nfs/dbraw/zinc/34/57/06/573345706.db2.gz UUQKGYUYGUFSON-NSHDSACASA-N 1 1 196.269 1.825 10 0 ADAEMO CC[NH2+][C@@H](CN)c1ccccc1F 50270240 573344327 /nfs/dbraw/zinc/34/43/27/573344327.db2.gz IVIQQHMKJITQDF-JTQLQIEISA-N 1 1 182.242 1.435 10 0 ADAEMO Cc1coc([C@@H](O)[C@@H]2CC[N@H+](C)C2)c1 715777347 573344335 /nfs/dbraw/zinc/34/43/35/573344335.db2.gz HIZVOPPDBZWILN-KOLCDFICSA-N 1 1 195.262 1.573 10 0 ADAEMO C[NH2+]N1[C@H](C)CCC[C@H]1C 78097184 573344367 /nfs/dbraw/zinc/34/43/67/573344367.db2.gz HEGQBHMCUGVFEK-HTQZYQBOSA-N 1 1 142.246 1.384 10 0 ADAEMO CCN[C@@H](C[NH3+])c1ccc(CC)cc1 50270139 573344479 /nfs/dbraw/zinc/34/44/79/573344479.db2.gz BXMLQHFEXPEQOK-LBPRGKRZSA-N 1 1 192.306 1.858 10 0 ADAEMO CCC[NH2+][C@@H](C(=O)OC)C1CCCC1 50272629 573344445 /nfs/dbraw/zinc/34/44/45/573344445.db2.gz IXEXEUGSZXPUBQ-SNVBAGLBSA-N 1 1 199.294 1.718 10 0 ADAEMO N[C@@H]1CCC[C@@H]1[NH2+]C1CCC1 259091884 573344469 /nfs/dbraw/zinc/34/44/69/573344469.db2.gz RUKOVPUWZJPCQE-BDAKNGLRSA-N 1 1 154.257 1.008 10 0 ADAEMO CC(C)c1n[nH]c([C@H]2CC[NH2+][C@@H]2C)n1 86270275 573345719 /nfs/dbraw/zinc/34/57/19/573345719.db2.gz NKOIEOLRYRJFQM-SFYZADRCSA-N 1 1 194.282 1.394 10 0 ADAEMO CC(C)N[C@H](C[NH3+])c1cccc(F)c1 50270799 573345724 /nfs/dbraw/zinc/34/57/24/573345724.db2.gz IZTNJFLJCKBFIA-LLVKDONJSA-N 1 1 196.269 1.824 10 0 ADAEMO CCCCc1nnc([C@H](C)[NH3+])o1 50284261 573345089 /nfs/dbraw/zinc/34/50/89/573345089.db2.gz QKGAEQNMGFNXMO-LURJTMIESA-N 1 1 169.228 1.432 10 0 ADAEMO [NH3+]C[C@H](Cc1ccccc1)NC1CC1 50271245 573345113 /nfs/dbraw/zinc/34/51/13/573345113.db2.gz BIYJAWZVLLUXBZ-LBPRGKRZSA-N 1 1 190.290 1.308 10 0 ADAEMO CCCc1n[nH]c([C@H]2CC[NH2+][C@@H]2C)n1 86270278 573345128 /nfs/dbraw/zinc/34/51/28/573345128.db2.gz FRTIOSUKJHQDHU-SFYZADRCSA-N 1 1 194.282 1.223 10 0 ADAEMO CCCc1nc([C@H]2CC[NH2+][C@@H]2C)n[nH]1 86270278 573345131 /nfs/dbraw/zinc/34/51/31/573345131.db2.gz FRTIOSUKJHQDHU-SFYZADRCSA-N 1 1 194.282 1.223 10 0 ADAEMO CCC[NH2+][C@H](C(=O)OC)C1CCCC1 50272628 573345201 /nfs/dbraw/zinc/34/52/01/573345201.db2.gz IXEXEUGSZXPUBQ-JTQLQIEISA-N 1 1 199.294 1.718 10 0 ADAEMO C[NH2+][C@@H](c1cccc(C)c1)N(C)C 259423930 573345275 /nfs/dbraw/zinc/34/52/75/573345275.db2.gz IDDXZDKFGDZMOM-LLVKDONJSA-N 1 1 178.279 1.775 10 0 ADAEMO CC(C)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86276761 573345276 /nfs/dbraw/zinc/34/52/76/573345276.db2.gz ZYMSRCRYCOGIJG-AOOOYVTPSA-N 1 1 183.295 1.799 10 0 ADAEMO Cc1ccc([C@H](C[NH3+])NC(C)C)cc1 50270775 573345299 /nfs/dbraw/zinc/34/52/99/573345299.db2.gz AZXZSWJEVNIWPR-LBPRGKRZSA-N 1 1 192.306 1.993 10 0 ADAEMO CC[N@@H+](C)[C@@H](CN)C1CCCC1 50272124 573345311 /nfs/dbraw/zinc/34/53/11/573345311.db2.gz ZMONXVHJIURZRS-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CCN(C)[C@@H](C[NH3+])C1CCCC1 50272124 573345313 /nfs/dbraw/zinc/34/53/13/573345313.db2.gz ZMONXVHJIURZRS-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC[NH2+][C@@H](C(=O)OC)C1CCCC1 50272621 573345329 /nfs/dbraw/zinc/34/53/29/573345329.db2.gz XMKGCGCGQZDZFF-SECBINFHSA-N 1 1 185.267 1.328 10 0 ADAEMO CC[C@]1([C@H]2CCCN2C)CCC[NH2+]1 258288123 573345394 /nfs/dbraw/zinc/34/53/94/573345394.db2.gz SYPCAGJOHSOFPJ-GHMZBOCLSA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)c1n[nH]c([C@@H]2CC[NH2+][C@H]2C)n1 86270274 573345430 /nfs/dbraw/zinc/34/54/30/573345430.db2.gz NKOIEOLRYRJFQM-JGVFFNPUSA-N 1 1 194.282 1.394 10 0 ADAEMO COC(=O)[C@H]([NH3+])C/C=C/C=C\C(C)C 308357981 573345451 /nfs/dbraw/zinc/34/54/51/573345451.db2.gz DQVAQBYCINUMBC-XCXMJLNFSA-N 1 1 197.278 1.645 10 0 ADAEMO CCCCc1nnc([C@@H](C)[NH3+])o1 50284260 573345468 /nfs/dbraw/zinc/34/54/68/573345468.db2.gz QKGAEQNMGFNXMO-ZCFIWIBFSA-N 1 1 169.228 1.432 10 0 ADAEMO CC[N@@H+](C)[C@H](CN)C1CCCC1 50272125 573345525 /nfs/dbraw/zinc/34/55/25/573345525.db2.gz ZMONXVHJIURZRS-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CCN(C)[C@H](C[NH3+])C1CCCC1 50272125 573345529 /nfs/dbraw/zinc/34/55/29/573345529.db2.gz ZMONXVHJIURZRS-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO Cc1ccc([C@@H](CN)[NH2+]C(C)C)o1 50270794 573345648 /nfs/dbraw/zinc/34/56/48/573345648.db2.gz HGTIRJRVOHKJBW-SECBINFHSA-N 1 1 182.267 1.586 10 0 ADAEMO CC[N@H+](C1CC1)[C@H](CN)C1CCCC1 50272127 573345672 /nfs/dbraw/zinc/34/56/72/573345672.db2.gz KFNOTSRTCDZAIY-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO CCN(C1CC1)[C@H](C[NH3+])C1CCCC1 50272127 573345675 /nfs/dbraw/zinc/34/56/75/573345675.db2.gz KFNOTSRTCDZAIY-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)[NH2+][C@@H](CN)c1ccccc1F 50270911 573345687 /nfs/dbraw/zinc/34/56/87/573345687.db2.gz LAKIQRUIEFJKEF-NSHDSACASA-N 1 1 196.269 1.824 10 0 ADAEMO [NH3+]C[C@@H](Cc1ccccc1)NC1CC1 50271246 573345757 /nfs/dbraw/zinc/34/57/57/573345757.db2.gz BIYJAWZVLLUXBZ-GFCCVEGCSA-N 1 1 190.290 1.308 10 0 ADAEMO CC[N@@H+](C)CC(=O)C(C)C 86276315 573349039 /nfs/dbraw/zinc/34/90/39/573349039.db2.gz ZHJQAHYVJKLMKP-UHFFFAOYSA-N 1 1 143.230 1.163 10 0 ADAEMO CCN[C@H](C[NH3+])c1ccc(C)c(C)c1 50270326 573345827 /nfs/dbraw/zinc/34/58/27/573345827.db2.gz PZRCDBFPYCOODD-GFCCVEGCSA-N 1 1 192.306 1.913 10 0 ADAEMO C[NH2+]N1[C@@H](C)CCC[C@H]1C 78097181 573346830 /nfs/dbraw/zinc/34/68/30/573346830.db2.gz HEGQBHMCUGVFEK-OCAPTIKFSA-N 1 1 142.246 1.384 10 0 ADAEMO NC[C@H]([NH2+]C1CC1)c1ccsc1 50271142 573346858 /nfs/dbraw/zinc/34/68/58/573346858.db2.gz XWYSIJCDIUJFOG-VIFPVBQESA-N 1 1 182.292 1.500 10 0 ADAEMO CC[C@@]1([C@@H]2CCCN2C)CCC[NH2+]1 258288129 573346847 /nfs/dbraw/zinc/34/68/47/573346847.db2.gz SYPCAGJOHSOFPJ-QWRGUYRKSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[NH2+][C@@H](CN)c1ccc(F)cc1 50270180 573346407 /nfs/dbraw/zinc/34/64/07/573346407.db2.gz ROMCLFFZEKPTIH-JTQLQIEISA-N 1 1 182.242 1.435 10 0 ADAEMO CCN[C@@H](C[NH3+])c1ccc(C)s1 50270298 573346439 /nfs/dbraw/zinc/34/64/39/573346439.db2.gz WPCIIYKCPRBKLO-QMMMGPOBSA-N 1 1 184.308 1.666 10 0 ADAEMO Cc1ccc([C@H](CN)[NH2+]C2CC2)s1 50271308 573346469 /nfs/dbraw/zinc/34/64/69/573346469.db2.gz OJODYDDZBNPXJU-VIFPVBQESA-N 1 1 196.319 1.808 10 0 ADAEMO CCCN[C@@H](C[NH3+])c1ccc(C)cc1 50270438 573346521 /nfs/dbraw/zinc/34/65/21/573346521.db2.gz NTCDPHSTXJEUDE-LBPRGKRZSA-N 1 1 192.306 1.994 10 0 ADAEMO CN[C@@H](C)C[NH2+][C@H]1CCC(F)(F)C1 308358402 573346535 /nfs/dbraw/zinc/34/65/35/573346535.db2.gz BRQRHSCANKNNKK-YUMQZZPRSA-N 1 1 192.253 1.372 10 0 ADAEMO CCC[N@@H+](C)[C@H](CN)C1CCCC1 50272143 573346557 /nfs/dbraw/zinc/34/65/57/573346557.db2.gz RXWWHAIYRGZKAT-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)N[C@@H](C[NH3+])c1cccc(F)c1 50270798 573346570 /nfs/dbraw/zinc/34/65/70/573346570.db2.gz IZTNJFLJCKBFIA-NSHDSACASA-N 1 1 196.269 1.824 10 0 ADAEMO CC(C)N[C@@H](C[NH3+])c1cccs1 50270840 573346609 /nfs/dbraw/zinc/34/66/09/573346609.db2.gz ANPRPNXJQXQXRM-QMMMGPOBSA-N 1 1 184.308 1.746 10 0 ADAEMO CCOC(=O)[C@@H]([NH2+]C)C1CCCC1 50272627 573346613 /nfs/dbraw/zinc/34/66/13/573346613.db2.gz OBKWCCDMAXQXTR-VIFPVBQESA-N 1 1 185.267 1.328 10 0 ADAEMO CC(C)C(=O)C[N@H+]1CCC[C@H]1C 86276368 573346636 /nfs/dbraw/zinc/34/66/36/573346636.db2.gz RHCXUSGITQRWIS-SECBINFHSA-N 1 1 169.268 1.696 10 0 ADAEMO COC(=O)c1cc(F)cc2c[nH+]cn12 238363413 573346704 /nfs/dbraw/zinc/34/67/04/573346704.db2.gz ASDYYXDKOGJOLM-UHFFFAOYSA-N 1 1 194.165 1.260 10 0 ADAEMO COCCC[N@@H+](C)CC(=O)C(C)C 86276656 573346739 /nfs/dbraw/zinc/34/67/39/573346739.db2.gz OHSRGQYCGQBPEB-UHFFFAOYSA-N 1 1 187.283 1.180 10 0 ADAEMO CCCN[C@@H](C[NH3+])c1cccc(C)c1 50270440 573346745 /nfs/dbraw/zinc/34/67/45/573346745.db2.gz MRCTZQZZOGLFSB-LBPRGKRZSA-N 1 1 192.306 1.994 10 0 ADAEMO COC(=O)C(C)(C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C 308557659 573346759 /nfs/dbraw/zinc/34/67/59/573346759.db2.gz CDORJKFWMSLEBD-XHNCKOQMSA-N 1 1 199.294 1.572 10 0 ADAEMO CC(C)CCc1nnc([C@@H](C)[NH3+])o1 50284308 573346764 /nfs/dbraw/zinc/34/67/64/573346764.db2.gz OCTXOBSXDFPQJL-SSDOTTSWSA-N 1 1 183.255 1.678 10 0 ADAEMO CC[C@H](C1CC1)[N@H+]1CC[C@H](CO)C1 308359360 573346815 /nfs/dbraw/zinc/34/68/15/573346815.db2.gz LRMWOBXEUVELKP-GXSJLCMTSA-N 1 1 183.295 1.489 10 0 ADAEMO C[NH2+][C@H](CF)c1ccco1 107116033 573349386 /nfs/dbraw/zinc/34/93/86/573349386.db2.gz VGIUFSYSXGIBON-ZCFIWIBFSA-N 1 1 143.161 1.510 10 0 ADAEMO C[N@H+]1CCC[C@@H]2CCC(=O)[C@@H]21 107117603 573350350 /nfs/dbraw/zinc/35/03/50/573350350.db2.gz GPNMTRUIIDGRPL-VXNVDRBHSA-N 1 1 153.225 1.060 10 0 ADAEMO CCCc1n[nH]c([C@@H]2CC[NH2+][C@H]2C)n1 86270279 573348688 /nfs/dbraw/zinc/34/86/88/573348688.db2.gz FRTIOSUKJHQDHU-JGVFFNPUSA-N 1 1 194.282 1.223 10 0 ADAEMO CCCc1nc([C@@H]2CC[NH2+][C@H]2C)n[nH]1 86270279 573348693 /nfs/dbraw/zinc/34/86/93/573348693.db2.gz FRTIOSUKJHQDHU-JGVFFNPUSA-N 1 1 194.282 1.223 10 0 ADAEMO COc1c(C)ccc2[nH+]c(N)[nH]c12 238364856 573348848 /nfs/dbraw/zinc/34/88/48/573348848.db2.gz BTBCBUCSBGYRFP-UHFFFAOYSA-N 1 1 177.207 1.462 10 0 ADAEMO Cc1ccc(NCC[C@H](C)O)[nH+]c1 82997607 573348934 /nfs/dbraw/zinc/34/89/34/573348934.db2.gz NPTLZIDQNOMZLN-VIFPVBQESA-N 1 1 180.251 1.573 10 0 ADAEMO CCCc1n[nH]c([C@@H]2CC[NH2+][C@@H]2C)n1 86270277 573349020 /nfs/dbraw/zinc/34/90/20/573349020.db2.gz FRTIOSUKJHQDHU-HTQZYQBOSA-N 1 1 194.282 1.223 10 0 ADAEMO CCCc1nc([C@@H]2CC[NH2+][C@@H]2C)n[nH]1 86270277 573349025 /nfs/dbraw/zinc/34/90/25/573349025.db2.gz FRTIOSUKJHQDHU-HTQZYQBOSA-N 1 1 194.282 1.223 10 0 ADAEMO CCOC(=O)[C@H](CC)[NH2+]C1CC=CC1 132900744 573349122 /nfs/dbraw/zinc/34/91/22/573349122.db2.gz KNQGSIUYCJSSTB-JTQLQIEISA-N 1 1 197.278 1.636 10 0 ADAEMO OCCCC[N@H+](C1CCC1)C1CC1 308360842 573349153 /nfs/dbraw/zinc/34/91/53/573349153.db2.gz DLDBLBSVZAPBTP-UHFFFAOYSA-N 1 1 183.295 1.776 10 0 ADAEMO CCC[C@@H](CN)[N@@H+]1C[C@H]2CCC[C@H]2C1 126098195 573349232 /nfs/dbraw/zinc/34/92/32/573349232.db2.gz FAFQDTUATKXVSK-TUAOUCFPSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)c1n[nH]c([C@@H]2CC[NH2+][C@@H]2C)n1 86270273 573349312 /nfs/dbraw/zinc/34/93/12/573349312.db2.gz NKOIEOLRYRJFQM-HTQZYQBOSA-N 1 1 194.282 1.394 10 0 ADAEMO CC(C)[C@H](N(C)C)C(C)(C)[NH3+] 259609855 573349328 /nfs/dbraw/zinc/34/93/28/573349328.db2.gz QVMKEJGHCBLIEH-QMMMGPOBSA-N 1 1 158.289 1.310 10 0 ADAEMO [NH3+][C@H](CF)c1cscn1 107116770 573349492 /nfs/dbraw/zinc/34/94/92/573349492.db2.gz BKVYXKYJBFZDOS-SCSAIBSYSA-N 1 1 146.190 1.112 10 0 ADAEMO Cc1ccc[nH+]c1NCC[C@@H](C)O 82997523 573349577 /nfs/dbraw/zinc/34/95/77/573349577.db2.gz BUBPHCIOFWKCPT-SECBINFHSA-N 1 1 180.251 1.573 10 0 ADAEMO C[NH2+][C@H](OC)c1ccc2nc[nH]c2c1 259425041 573349603 /nfs/dbraw/zinc/34/96/03/573349603.db2.gz YOQQYSUKLZWCBJ-SNVBAGLBSA-N 1 1 191.234 1.427 10 0 ADAEMO Cc1cc(O)cc([C@@H]2COCC[NH2+]2)c1 214729662 573349653 /nfs/dbraw/zinc/34/96/53/573349653.db2.gz QGGKMRNFBOOMKB-NSHDSACASA-N 1 1 193.246 1.362 10 0 ADAEMO CC(C)C(=O)C[N@H+]1CCCO[C@H](C)C1 86276651 573349687 /nfs/dbraw/zinc/34/96/87/573349687.db2.gz SMWDRCCEBQAHQF-SNVBAGLBSA-N 1 1 199.294 1.322 10 0 ADAEMO COc1cc(F)c2[nH+]cc(N)n2c1 238364726 573349708 /nfs/dbraw/zinc/34/97/08/573349708.db2.gz FNPGRMYLYRHNHX-UHFFFAOYSA-N 1 1 181.170 1.064 10 0 ADAEMO Cc1ccc[nH+]c1N(C)CC(C)(C)O 86274196 573349753 /nfs/dbraw/zinc/34/97/53/573349753.db2.gz ZFRZWPUQHBFIIC-UHFFFAOYSA-N 1 1 194.278 1.597 10 0 ADAEMO CN[C@@H](C)C[NH2+][C@@H]1CCC(F)(F)C1 308358397 573349817 /nfs/dbraw/zinc/34/98/17/573349817.db2.gz BRQRHSCANKNNKK-JGVFFNPUSA-N 1 1 192.253 1.372 10 0 ADAEMO C[N@H+]1CCC[C@H]2CCC(=O)[C@@H]21 107117599 573349906 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Cc1ccc[nH+]c1NCC[C@H](C)O 82997525 573350287 /nfs/dbraw/zinc/35/02/87/573350287.db2.gz BUBPHCIOFWKCPT-VIFPVBQESA-N 1 1 180.251 1.573 10 0 ADAEMO CCO[C@@H](C)c1nc([C@@H](C)[NH2+]C)c[nH]1 308558821 573350339 /nfs/dbraw/zinc/35/03/39/573350339.db2.gz UUFOKBPZXOHUCH-SFYZADRCSA-N 1 1 197.282 1.788 10 0 ADAEMO Cc1cc(O)cc([C@H]2COCC[NH2+]2)c1 214729720 573350376 /nfs/dbraw/zinc/35/03/76/573350376.db2.gz QGGKMRNFBOOMKB-LLVKDONJSA-N 1 1 193.246 1.362 10 0 ADAEMO Cc1ccc(N(C)CC(C)(C)O)[nH+]c1 86274216 573350379 /nfs/dbraw/zinc/35/03/79/573350379.db2.gz YDXAHJMJIUXYKH-UHFFFAOYSA-N 1 1 194.278 1.597 10 0 ADAEMO CCC[C@H](CC)[NH2+]CCc1nc[nH]n1 132902111 573351675 /nfs/dbraw/zinc/35/16/75/573351675.db2.gz BNKQRMWTXFVQOO-VIFPVBQESA-N 1 1 196.298 1.516 10 0 ADAEMO CC(C)C[N@@H+](C)[C@H](CN)[C@]1(C)C[C@H]1C 714680280 573351053 /nfs/dbraw/zinc/35/10/53/573351053.db2.gz RDOMCKJYKNZPDS-IJLUTSLNSA-N 1 1 198.354 1.948 10 0 ADAEMO CN(C)C1(C[NH2+]CCF)CCCC1 132917531 573351073 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/nfs/dbraw/zinc/35/82/26/573358226.db2.gz LOUGOOJRSFEFRT-UHFFFAOYSA-N 1 1 197.238 1.007 10 0 ADAEMO CCOC(=O)NCCc1c[nH+]c(C)[nH]1 74579863 573358231 /nfs/dbraw/zinc/35/82/31/573358231.db2.gz LOUGOOJRSFEFRT-UHFFFAOYSA-N 1 1 197.238 1.007 10 0 ADAEMO CC[C@@H]([NH2+]CC(=O)OC)C(C)(C)C 308363907 573358326 /nfs/dbraw/zinc/35/83/26/573358326.db2.gz NGEHMSIZUUROBT-MRVPVSSYSA-N 1 1 187.283 1.574 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)[C@@H](C)C[NH3+])C1 86311289 573358456 /nfs/dbraw/zinc/35/84/56/573358456.db2.gz ZFBOGNKXJODATM-USZNOCQGSA-N 1 1 198.354 1.948 10 0 ADAEMO CC[N@H+]1CCC[C@H](C/C=C\CO)C1 258297959 573358474 /nfs/dbraw/zinc/35/84/74/573358474.db2.gz ULMAWUKRTBKTLA-BYCRGOAPSA-N 1 1 183.295 1.657 10 0 ADAEMO CC[N@H+](Cc1cnc(N)o1)CC(C)C 308561068 573358486 /nfs/dbraw/zinc/35/84/86/573358486.db2.gz FHLVIUXHAAFOMK-UHFFFAOYSA-N 1 1 197.282 1.735 10 0 ADAEMO CC[C@H]([NH2+]CC(=O)OC)C(C)(C)C 308363912 573358488 /nfs/dbraw/zinc/35/84/88/573358488.db2.gz NGEHMSIZUUROBT-QMMMGPOBSA-N 1 1 187.283 1.574 10 0 ADAEMO C[N@@H+]1CCC[C@](CN)(C2CC2)C1 107121719 573358534 /nfs/dbraw/zinc/35/85/34/573358534.db2.gz KRROAHFIVLJMKA-SNVBAGLBSA-N 1 1 168.284 1.067 10 0 ADAEMO C[N@H+]1CCC[C@](CN)(C2CC2)C1 107121719 573358542 /nfs/dbraw/zinc/35/85/42/573358542.db2.gz KRROAHFIVLJMKA-SNVBAGLBSA-N 1 1 168.284 1.067 10 0 ADAEMO CN1CCC[C@](C[NH3+])(C2CC2)C1 107121719 573358544 /nfs/dbraw/zinc/35/85/44/573358544.db2.gz KRROAHFIVLJMKA-SNVBAGLBSA-N 1 1 168.284 1.067 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@@H](CN)[N@@H+](C)C1CCC1 714680539 573358601 /nfs/dbraw/zinc/35/86/01/573358601.db2.gz RULSFIPZECYFFL-JLLWLGSASA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@@H](C[NH3+])N(C)C1CCC1 714680539 573358609 /nfs/dbraw/zinc/35/86/09/573358609.db2.gz RULSFIPZECYFFL-JLLWLGSASA-N 1 1 196.338 1.844 10 0 ADAEMO O=C1CC[NH2+]C[C@@H]1c1ccccc1O 258294871 573359170 /nfs/dbraw/zinc/35/91/70/573359170.db2.gz VYYXYEKHHXOLLW-SECBINFHSA-N 1 1 191.230 1.038 10 0 ADAEMO C[C@H]1[C@@H](C)C(=O)CC[N@@H+]1[C@H]1C[C@H]1C 86304669 573359872 /nfs/dbraw/zinc/35/98/72/573359872.db2.gz ZUWBEHDZEXJTNH-IMSYWVGJSA-N 1 1 181.279 1.694 10 0 ADAEMO CC[N@H+]1CCC[C@@H](C/C=C\CO)C1 258297960 573359903 /nfs/dbraw/zinc/35/99/03/573359903.db2.gz ULMAWUKRTBKTLA-DLRQAJBASA-N 1 1 183.295 1.657 10 0 ADAEMO C[C@@H]1C[C@@]1(C)[C@@H](CN)[N@@H+](C)C1CCC1 714680543 573359928 /nfs/dbraw/zinc/35/99/28/573359928.db2.gz RULSFIPZECYFFL-YUSALJHKSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1C[C@@]1(C)[C@@H](C[NH3+])N(C)C1CCC1 714680543 573359931 /nfs/dbraw/zinc/35/99/31/573359931.db2.gz RULSFIPZECYFFL-YUSALJHKSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)C1CC1 86311493 573360044 /nfs/dbraw/zinc/36/00/44/573360044.db2.gz IURTYLNQNBHZBG-HTQZYQBOSA-N 1 1 156.273 1.064 10 0 ADAEMO C[N@H+]1CCC[C@H]1CC1(O)CCC1 258007263 573360051 /nfs/dbraw/zinc/36/00/51/573360051.db2.gz MLXWTIFFVKOXFZ-VIFPVBQESA-N 1 1 169.268 1.386 10 0 ADAEMO C[C@H]([NH3+])c1cnc(COC2CCC2)[nH]1 714917680 573360095 /nfs/dbraw/zinc/36/00/95/573360095.db2.gz HDPLLSQYVWGMAI-ZETCQYMHSA-N 1 1 195.266 1.499 10 0 ADAEMO C[N@H+]1CC[C@@H](O)C2(CCCC2)C1 107122309 573360144 /nfs/dbraw/zinc/36/01/44/573360144.db2.gz ADZKCTPZQPHEPR-SECBINFHSA-N 1 1 169.268 1.243 10 0 ADAEMO COC[C@@H](C)[N@@H+](C)Cc1ccno1 308362516 573360784 /nfs/dbraw/zinc/36/07/84/573360784.db2.gz MRAAFMDVGAUTOE-MRVPVSSYSA-N 1 1 184.239 1.141 10 0 ADAEMO C/C=C/C[N@H+](CCCC)CC(N)=O 308363577 573360253 /nfs/dbraw/zinc/36/02/53/573360253.db2.gz MZHDUZCSQIAXIQ-HWKANZROSA-N 1 1 184.283 1.150 10 0 ADAEMO COc1ccccc1[C@@H]1[NH2+]CCN1C 238369376 573360260 /nfs/dbraw/zinc/36/02/60/573360260.db2.gz XOJVTUUEYXFHRJ-LLVKDONJSA-N 1 1 192.262 1.229 10 0 ADAEMO C[C@H]1CCCC[C@H]1[N@H+]1C[C@@H](C)[C@@H](N)C1 235571596 573360271 /nfs/dbraw/zinc/36/02/71/573360271.db2.gz JHPBIKPDLRGWHL-WHOHXGKFSA-N 1 1 196.338 1.844 10 0 ADAEMO C[N@@H+]1CCC[C@@](CN)(C2CC2)C1 107121715 573360318 /nfs/dbraw/zinc/36/03/18/573360318.db2.gz KRROAHFIVLJMKA-JTQLQIEISA-N 1 1 168.284 1.067 10 0 ADAEMO C[N@H+]1CCC[C@@](CN)(C2CC2)C1 107121715 573360324 /nfs/dbraw/zinc/36/03/24/573360324.db2.gz KRROAHFIVLJMKA-JTQLQIEISA-N 1 1 168.284 1.067 10 0 ADAEMO CN1CCC[C@@](C[NH3+])(C2CC2)C1 107121715 573360327 /nfs/dbraw/zinc/36/03/27/573360327.db2.gz KRROAHFIVLJMKA-JTQLQIEISA-N 1 1 168.284 1.067 10 0 ADAEMO COC[C@H](C)[N@@H+](C)Cc1ccno1 308362520 573360333 /nfs/dbraw/zinc/36/03/33/573360333.db2.gz MRAAFMDVGAUTOE-QMMMGPOBSA-N 1 1 184.239 1.141 10 0 ADAEMO CC(C)n1nc(C[NH+](C)C)cc1N 258007695 573360345 /nfs/dbraw/zinc/36/03/45/573360345.db2.gz ZVQVTFOKMDOTFL-UHFFFAOYSA-N 1 1 182.271 1.108 10 0 ADAEMO C[C@@H](C[NH3+])[C@H](C)[N@H+]1CCCC1(C)C 86312520 573360407 /nfs/dbraw/zinc/36/04/07/573360407.db2.gz QGVSSLUVEFGWIY-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H](CN)[N@@H+](C)C1CCC1 714680541 573360437 /nfs/dbraw/zinc/36/04/37/573360437.db2.gz RULSFIPZECYFFL-USWWRNFRSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1C[C@]1(C)[C@H](C[NH3+])N(C)C1CCC1 714680541 573360439 /nfs/dbraw/zinc/36/04/39/573360439.db2.gz RULSFIPZECYFFL-USWWRNFRSA-N 1 1 196.338 1.844 10 0 ADAEMO C[N@H+]1CC[C@H](O)C2(CCCC2)C1 107122304 573360466 /nfs/dbraw/zinc/36/04/66/573360466.db2.gz ADZKCTPZQPHEPR-VIFPVBQESA-N 1 1 169.268 1.243 10 0 ADAEMO C[NH+](C)C1CCN(C2CCC2)CC1 307131139 573360523 /nfs/dbraw/zinc/36/05/23/573360523.db2.gz GMDOLLXOZKNIPN-UHFFFAOYSA-N 1 1 182.311 1.565 10 0 ADAEMO CC[C@@H](O)C[NH2+][C@@H](C(F)F)C1CC1 308363498 573360613 /nfs/dbraw/zinc/36/06/13/573360613.db2.gz MXSXCXSLEQJJJK-HTQZYQBOSA-N 1 1 193.237 1.391 10 0 ADAEMO C[C@@H](C[NH3+])[C@H](C)[N@H+]1CCC[C@@H](C)C1 86311144 573362915 /nfs/dbraw/zinc/36/29/15/573362915.db2.gz DBZJHSVYGJWIDR-VWYCJHECSA-N 1 1 184.327 1.702 10 0 ADAEMO C[NH2+][C@H](c1ccc(C)cc1)N(C)C 259609613 573362945 /nfs/dbraw/zinc/36/29/45/573362945.db2.gz QTQWPBMAKHVJJI-NSHDSACASA-N 1 1 178.279 1.775 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(COC2CCC2)[nH]1 714917662 573363048 /nfs/dbraw/zinc/36/30/48/573363048.db2.gz HDPLLSQYVWGMAI-SSDOTTSWSA-N 1 1 195.266 1.499 10 0 ADAEMO C[C@H](C[NH3+])[C@@H](C)[N@H+]1CCCC1(C)C 86312519 573362358 /nfs/dbraw/zinc/36/23/58/573362358.db2.gz QGVSSLUVEFGWIY-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO CN[C@H](c1ccc(C)o1)[C@H](C)C[NH3+] 259427484 573362407 /nfs/dbraw/zinc/36/24/07/573362407.db2.gz MZALPUJVLKYJPK-XCBNKYQSSA-N 1 1 182.267 1.443 10 0 ADAEMO C[C@H]1[C@@H](C)C(=O)CC[N@H+]1C1CCC1 86304637 573362411 /nfs/dbraw/zinc/36/24/11/573362411.db2.gz MKGBOLAUOSDEDB-BDAKNGLRSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@@H]1C(=O)CC[N@@H+](C2CCC2)[C@H]1C 86304639 573362453 /nfs/dbraw/zinc/36/24/53/573362453.db2.gz MKGBOLAUOSDEDB-IUCAKERBSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@@H](C[NH3+])[C@H](C)[N@H+]1CC[C@@H](C)C1 86311942 573362546 /nfs/dbraw/zinc/36/25/46/573362546.db2.gz BTLDKRYNRLKYRB-UTLUCORTSA-N 1 1 170.300 1.312 10 0 ADAEMO CC[NH2+][C@@H](CF)c1cncs1 107124824 573362644 /nfs/dbraw/zinc/36/26/44/573362644.db2.gz DTCVNPZWWXSQKJ-LURJTMIESA-N 1 1 174.244 1.763 10 0 ADAEMO CCC[C@@H]([NH2+][C@@H](C)C(=O)OC)C1CC1 308562581 573362768 /nfs/dbraw/zinc/36/27/68/573362768.db2.gz WWFHFOIRAKGHCB-WCBMZHEXSA-N 1 1 199.294 1.716 10 0 ADAEMO CCc1ccc(OC)c(C(N)[NH3+])c1 259427671 573362810 /nfs/dbraw/zinc/36/28/10/573362810.db2.gz PHVFZHMQZRHBCD-UHFFFAOYSA-N 1 1 180.251 1.174 10 0 ADAEMO CCC[C@@H]([NH2+][C@H](C)C(=O)OC)C1CC1 308562578 573362814 /nfs/dbraw/zinc/36/28/14/573362814.db2.gz WWFHFOIRAKGHCB-PSASIEDQSA-N 1 1 199.294 1.716 10 0 ADAEMO C[C@@H]([C@H](C)C[NH3+])[N@H+]1CCCC1(C)C 86312521 573362893 /nfs/dbraw/zinc/36/28/93/573362893.db2.gz QGVSSLUVEFGWIY-ZJUUUORDSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@@H](CN)[NH2+]Cc1ccncc1 308562759 573363876 /nfs/dbraw/zinc/36/38/76/573363876.db2.gz YMHRUUFZDLQXCS-NSHDSACASA-N 1 1 193.294 1.299 10 0 ADAEMO NC[C@@H]1CCC[N@H+]1CC[C@H]1C=CCC1 308369007 573365304 /nfs/dbraw/zinc/36/53/04/573365304.db2.gz NWVKNBCVQWGLRR-RYUDHWBXSA-N 1 1 194.322 1.766 10 0 ADAEMO CC[NH2+][C@H](CF)c1cncs1 107124827 573364497 /nfs/dbraw/zinc/36/44/97/573364497.db2.gz DTCVNPZWWXSQKJ-ZCFIWIBFSA-N 1 1 174.244 1.763 10 0 ADAEMO CN[C@H](c1ccc(C)o1)[C@@H](C)C[NH3+] 259427486 573364501 /nfs/dbraw/zinc/36/45/01/573364501.db2.gz MZALPUJVLKYJPK-XVKPBYJWSA-N 1 1 182.267 1.443 10 0 ADAEMO CC[N@H+]1CCC[C@@H](/C=C\CO)C1 258312314 573364675 /nfs/dbraw/zinc/36/46/75/573364675.db2.gz VMXDQESMEJTAGS-OAQKJQOQSA-N 1 1 169.268 1.267 10 0 ADAEMO COC[C@H]([NH3+])c1noc(C(C)(C)C)n1 129766698 573364713 /nfs/dbraw/zinc/36/47/13/573364713.db2.gz CPLGGTJGWPEZOL-LURJTMIESA-N 1 1 199.254 1.013 10 0 ADAEMO CC[N@H+]1CCS[C@H]1C 39077923 573364737 /nfs/dbraw/zinc/36/47/37/573364737.db2.gz ZNOREPRETSSXDV-LURJTMIESA-N 1 1 131.244 1.401 10 0 ADAEMO C[NH2+][C@H](CN)c1cc(Cl)cs1 86333305 573364813 /nfs/dbraw/zinc/36/48/13/573364813.db2.gz RFRXOGYNQPPRNW-ZCFIWIBFSA-N 1 1 190.699 1.621 10 0 ADAEMO C[C@H]1CCC[N@H+](CCCN(C)C)C1 308369731 573364909 /nfs/dbraw/zinc/36/49/09/573364909.db2.gz JZKKADMMEGZMOY-NSHDSACASA-N 1 1 184.327 1.670 10 0 ADAEMO C[C@H]1CCC[N@@H+](CCCN(C)C)C1 308369731 573364913 /nfs/dbraw/zinc/36/49/13/573364913.db2.gz JZKKADMMEGZMOY-NSHDSACASA-N 1 1 184.327 1.670 10 0 ADAEMO CCn1cc[nH+]c1[C@@H]1CC[C@H](O)[C@@H]1C 83036620 573365065 /nfs/dbraw/zinc/36/50/65/573365065.db2.gz QVZNYEMMTUMZKO-BBBLOLIVSA-N 1 1 194.278 1.777 10 0 ADAEMO [NH3+][C@@H]1CCN[C@H](Cc2ccccc2)C1 107134770 573367678 /nfs/dbraw/zinc/36/76/78/573367678.db2.gz BZZJOBSXKJQQTF-VXGBXAGGSA-N 1 1 190.290 1.308 10 0 ADAEMO C[NH+]1CC(O)(CCc2ccccc2)C1 107135335 573367738 /nfs/dbraw/zinc/36/77/38/573367738.db2.gz RDGZYZXCGRDDOF-UHFFFAOYSA-N 1 1 191.274 1.296 10 0 ADAEMO C[N@@H+]1CCC[C@@H]1c1cc(C=O)no1 259428676 573367005 /nfs/dbraw/zinc/36/70/05/573367005.db2.gz ZAVUHVQXQSKBKU-MRVPVSSYSA-N 1 1 180.207 1.254 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1cc(C=O)no1 259428676 573367008 /nfs/dbraw/zinc/36/70/08/573367008.db2.gz ZAVUHVQXQSKBKU-MRVPVSSYSA-N 1 1 180.207 1.254 10 0 ADAEMO Cc1ccccc1[C@]1(C[NH3+])CCN1 258318388 573367033 /nfs/dbraw/zinc/36/70/33/573367033.db2.gz UDPGDPMUQWRODS-LLVKDONJSA-N 1 1 176.263 1.142 10 0 ADAEMO CC[C@H](C)[C@@H]1C[N@H+](CC)[C@@H](C)CN1 224065982 573367052 /nfs/dbraw/zinc/36/70/52/573367052.db2.gz SEGAPKBWWMYJAO-DCAQKATOSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)[C@@H]1C[N@@H+](CC)[C@@H](C)CN1 224065982 573367058 /nfs/dbraw/zinc/36/70/58/573367058.db2.gz SEGAPKBWWMYJAO-DCAQKATOSA-N 1 1 184.327 1.715 10 0 ADAEMO CCn1cc[nH+]c1[C@@H]1CC[C@@H](O)[C@@H]1C 83036628 573367081 /nfs/dbraw/zinc/36/70/81/573367081.db2.gz QVZNYEMMTUMZKO-OPRDCNLKSA-N 1 1 194.278 1.777 10 0 ADAEMO Cc1ccccc1CC1(O)C[NH+](C)C1 107135209 573367790 /nfs/dbraw/zinc/36/77/90/573367790.db2.gz FWMKNSXKRXNLMN-UHFFFAOYSA-N 1 1 191.274 1.214 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C1CCC1)N(C)C 259428669 573367209 /nfs/dbraw/zinc/36/72/09/573367209.db2.gz IIWSSHGTZNBINI-CBAPKCEASA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H]1[C@@H](O)CC[C@@H]1c1[nH+]ccn1C 83035504 573367228 /nfs/dbraw/zinc/36/72/28/573367228.db2.gz ARGPVHCIKYTWKY-CIUDSAMLSA-N 1 1 180.251 1.295 10 0 ADAEMO CC(C)[NH2+][C@@H](CO)c1cscn1 107132128 573367392 /nfs/dbraw/zinc/36/73/92/573367392.db2.gz SNVJMIFLZVBFJJ-ZETCQYMHSA-N 1 1 186.280 1.175 10 0 ADAEMO C[C@@H]([NH3+])[C@H](C1CCC1)N(C)C 259428680 573367440 /nfs/dbraw/zinc/36/74/40/573367440.db2.gz IIWSSHGTZNBINI-VXNVDRBHSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H](CN)[N@@H+](C)C1CCSCC1 107133689 573367460 /nfs/dbraw/zinc/36/74/60/573367460.db2.gz DHYXSWXSJQMDOC-QMMMGPOBSA-N 1 1 188.340 1.161 10 0 ADAEMO C[C@@H](C[NH3+])N(C)C1CCSCC1 107133689 573367466 /nfs/dbraw/zinc/36/74/66/573367466.db2.gz DHYXSWXSJQMDOC-QMMMGPOBSA-N 1 1 188.340 1.161 10 0 ADAEMO CCON[C@H]1CC[N@H+](C(C)C)C1 133050533 573367515 /nfs/dbraw/zinc/36/75/15/573367515.db2.gz BDMUAEYKHQVELE-VIFPVBQESA-N 1 1 172.272 1.010 10 0 ADAEMO C[C@H](CN)[N@@H+](C)C1CCSCC1 107133693 573367971 /nfs/dbraw/zinc/36/79/71/573367971.db2.gz DHYXSWXSJQMDOC-MRVPVSSYSA-N 1 1 188.340 1.161 10 0 ADAEMO C[C@H](C[NH3+])N(C)C1CCSCC1 107133693 573367977 /nfs/dbraw/zinc/36/79/77/573367977.db2.gz DHYXSWXSJQMDOC-MRVPVSSYSA-N 1 1 188.340 1.161 10 0 ADAEMO C[N@@H+]1CCC[C@H]1c1cc(C=O)no1 259428682 573368071 /nfs/dbraw/zinc/36/80/71/573368071.db2.gz ZAVUHVQXQSKBKU-QMMMGPOBSA-N 1 1 180.207 1.254 10 0 ADAEMO C[N@H+]1CCC[C@H]1c1cc(C=O)no1 259428682 573368077 /nfs/dbraw/zinc/36/80/77/573368077.db2.gz ZAVUHVQXQSKBKU-QMMMGPOBSA-N 1 1 180.207 1.254 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1[C@@]1(C)NC[C@H](C)O1 258325119 573368106 /nfs/dbraw/zinc/36/81/06/573368106.db2.gz DLXAKQZQKMLTBS-AXFHLTTASA-N 1 1 198.310 1.195 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1[C@@]1(C)NC[C@H](C)O1 258325119 573368110 /nfs/dbraw/zinc/36/81/10/573368110.db2.gz DLXAKQZQKMLTBS-AXFHLTTASA-N 1 1 198.310 1.195 10 0 ADAEMO Cc1ccccc1[C@@H]1C[C@@H]([NH3+])CCN1 107134727 573368150 /nfs/dbraw/zinc/36/81/50/573368150.db2.gz OWDLSTXAECMQIH-JQWIXIFHSA-N 1 1 190.290 1.747 10 0 ADAEMO Cc1nc(C[NH2+][C@@H](C)CCO)oc1C 132940032 573371727 /nfs/dbraw/zinc/37/17/27/573371727.db2.gz QLLRANPCSXHBEK-ZETCQYMHSA-N 1 1 198.266 1.152 10 0 ADAEMO C[C@H]([NH2+][C@@H]1CCCOC1)C(C)(F)F 307088531 573371880 /nfs/dbraw/zinc/37/18/80/573371880.db2.gz TUPPJIBRLZZXND-JGVFFNPUSA-N 1 1 193.237 1.799 10 0 ADAEMO Cc1ccccc1[C@H]1C[C@H]([NH3+])CCN1 107134726 573371889 /nfs/dbraw/zinc/37/18/89/573371889.db2.gz OWDLSTXAECMQIH-ZYHUDNBSSA-N 1 1 190.290 1.747 10 0 ADAEMO C[C@@H](CN)[N@H+](C)[C@@H]1CCCSC1 107133699 573371908 /nfs/dbraw/zinc/37/19/08/573371908.db2.gz CUXAJPOZLLANCX-DTWKUNHWSA-N 1 1 188.340 1.161 10 0 ADAEMO C[C@@H](CN)[N@@H+](C)[C@@H]1CCCSC1 107133699 573371913 /nfs/dbraw/zinc/37/19/13/573371913.db2.gz CUXAJPOZLLANCX-DTWKUNHWSA-N 1 1 188.340 1.161 10 0 ADAEMO C[C@@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)[C@@H]1C 83040638 573371969 /nfs/dbraw/zinc/37/19/69/573371969.db2.gz PYDHZRCQNOVSFS-FXPVBKGRSA-N 1 1 193.294 1.934 10 0 ADAEMO CCON[C@@H]1CC[N@H+](C(C)C)C1 133050402 573371982 /nfs/dbraw/zinc/37/19/82/573371982.db2.gz BDMUAEYKHQVELE-SECBINFHSA-N 1 1 172.272 1.010 10 0 ADAEMO [NH3+][C@H]1CCN[C@@H](Cc2ccccc2)C1 107134778 573372001 /nfs/dbraw/zinc/37/20/01/573372001.db2.gz BZZJOBSXKJQQTF-RYUDHWBXSA-N 1 1 190.290 1.308 10 0 ADAEMO CC(C)c1cc(O)cc(C(=O)C[NH3+])c1 258013935 573372002 /nfs/dbraw/zinc/37/20/02/573372002.db2.gz HOMNKUFNXDEURV-UHFFFAOYSA-N 1 1 193.246 1.657 10 0 ADAEMO [NH3+]CC(=O)c1ccccc1NC1CC1 107134371 573372038 /nfs/dbraw/zinc/37/20/38/573372038.db2.gz FNYUVDGGPHXAGO-UHFFFAOYSA-N 1 1 190.246 1.402 10 0 ADAEMO C[C@H]([NH3+])[C@H](C1CCC1)N(C)C 259428671 573372065 /nfs/dbraw/zinc/37/20/65/573372065.db2.gz IIWSSHGTZNBINI-IONNQARKSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[N@@H+]1CCCC[C@H]1[C@]1(C)NCCO1 258325618 573372082 /nfs/dbraw/zinc/37/20/82/573372082.db2.gz DMUBGHZKMJCMTD-WDEREUQCSA-N 1 1 198.310 1.197 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1[C@]1(C)NCCO1 258325618 573372086 /nfs/dbraw/zinc/37/20/86/573372086.db2.gz DMUBGHZKMJCMTD-WDEREUQCSA-N 1 1 198.310 1.197 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1[C@@]1(C)NC[C@@H](C)O1 258325163 573372126 /nfs/dbraw/zinc/37/21/26/573372126.db2.gz DLXAKQZQKMLTBS-MXWKQRLJSA-N 1 1 198.310 1.195 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1[C@@]1(C)NC[C@@H](C)O1 258325163 573372131 /nfs/dbraw/zinc/37/21/31/573372131.db2.gz DLXAKQZQKMLTBS-MXWKQRLJSA-N 1 1 198.310 1.195 10 0 ADAEMO CCC[C@](C)([NH3+])CNCCC(F)F 308374251 573372433 /nfs/dbraw/zinc/37/24/33/573372433.db2.gz MIILSSXGPWUCCE-VIFPVBQESA-N 1 1 194.269 1.749 10 0 ADAEMO C[NH2+]C[C@@H](CN)c1ccc(Cl)o1 258324195 573372456 /nfs/dbraw/zinc/37/24/56/573372456.db2.gz YDCRGXZSAXJXPX-ZCFIWIBFSA-N 1 1 188.658 1.195 10 0 ADAEMO OC[C@H]1CCCn2c1c[nH+]c2C1CC1 258016692 573372471 /nfs/dbraw/zinc/37/24/71/573372471.db2.gz BSFOUNLLDGCVRM-SECBINFHSA-N 1 1 192.262 1.630 10 0 ADAEMO CCC[C@@](C)([NH3+])CNCCC(F)F 308374249 573372638 /nfs/dbraw/zinc/37/26/38/573372638.db2.gz MIILSSXGPWUCCE-SECBINFHSA-N 1 1 194.269 1.749 10 0 ADAEMO CCSCc1c[nH+]c(C)n1C 258320436 573372713 /nfs/dbraw/zinc/37/27/13/573372713.db2.gz WLYZDSRPMJWBLJ-UHFFFAOYSA-N 1 1 170.281 1.982 10 0 ADAEMO Cc1ccc([C@@H]2C[C@@H]([NH3+])CCN2)s1 107139672 573372733 /nfs/dbraw/zinc/37/27/33/573372733.db2.gz JODDHKGZPGZAMR-IUCAKERBSA-N 1 1 196.319 1.808 10 0 ADAEMO Cc1nc(C[NH2+]C2CC2)co1 258320299 573372978 /nfs/dbraw/zinc/37/29/78/573372978.db2.gz WIHCZSNZMFGKPE-UHFFFAOYSA-N 1 1 152.197 1.235 10 0 ADAEMO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]cn2)[C@@H]1C 83042633 573372917 /nfs/dbraw/zinc/37/29/17/573372917.db2.gz JANPYXAFIOPKHG-FXPVBKGRSA-N 1 1 193.294 1.934 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1[C@]1(C)NC[C@H](C)O1 258325150 573372991 /nfs/dbraw/zinc/37/29/91/573372991.db2.gz DLXAKQZQKMLTBS-HBNTYKKESA-N 1 1 198.310 1.195 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1[C@]1(C)NC[C@H](C)O1 258325150 573372996 /nfs/dbraw/zinc/37/29/96/573372996.db2.gz DLXAKQZQKMLTBS-HBNTYKKESA-N 1 1 198.310 1.195 10 0 ADAEMO C/C=C\CC[N@H+]1CCNC[C@@H]1C(C)C 308376300 573373689 /nfs/dbraw/zinc/37/36/89/573373689.db2.gz MWPNXECLHLZDAO-QMAVJUDZSA-N 1 1 196.338 1.882 10 0 ADAEMO C/C=C\CCN1CC[NH2+]C[C@@H]1C(C)C 308376300 573373696 /nfs/dbraw/zinc/37/36/96/573373696.db2.gz MWPNXECLHLZDAO-QMAVJUDZSA-N 1 1 196.338 1.882 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CCCNCC2)[C@@H]1C 83046348 573373740 /nfs/dbraw/zinc/37/37/40/573373740.db2.gz LMHMLMPSMGJCMH-UTUOFQBUSA-N 1 1 196.338 1.716 10 0 ADAEMO COc1[nH+]c(C)cc(N)c1C(F)F 238371911 573373803 /nfs/dbraw/zinc/37/38/03/573373803.db2.gz TXMROCMDAVFGQI-UHFFFAOYSA-N 1 1 188.177 1.918 10 0 ADAEMO CC[NH2+][C@@H](C)CN1C[C@H]2CCC[C@H]2C1 126141759 573373909 /nfs/dbraw/zinc/37/39/09/573373909.db2.gz YBSIYYWQQKHXCD-SDDRHHMPSA-N 1 1 196.338 1.716 10 0 ADAEMO [NH3+][C@H]1CCN[C@@H](c2ccc(F)cc2)C1 107137505 573373968 /nfs/dbraw/zinc/37/39/68/573373968.db2.gz CNJTVGZVLXILPK-WDEREUQCSA-N 1 1 194.253 1.578 10 0 ADAEMO CCC[C@@H]1CC[N@@H+](CCCO)C1 133084804 573373972 /nfs/dbraw/zinc/37/39/72/573373972.db2.gz JUTXEZQWTOTASS-SNVBAGLBSA-N 1 1 171.284 1.491 10 0 ADAEMO C[C@@H](C[NH2+]CC1(N)CC1)C1CC1 133166018 573376619 /nfs/dbraw/zinc/37/66/19/573376619.db2.gz ZMWLYDRFIMLDDW-QMMMGPOBSA-N 1 1 168.284 1.113 10 0 ADAEMO [NH3+][C@@H]1CCN[C@H](c2cccc(F)c2)C1 107137481 573374776 /nfs/dbraw/zinc/37/47/76/573374776.db2.gz PMJYRVYZSZQTES-MNOVXSKESA-N 1 1 194.253 1.578 10 0 ADAEMO CCN1N=C(C(C)C)C(CC[NH3+])C1=O 258014129 573374697 /nfs/dbraw/zinc/37/46/97/573374697.db2.gz RCQZVAQZTKPIEG-UHFFFAOYSA-N 1 1 197.282 1.233 10 0 ADAEMO Cc1nc(CC[C@@H](C)[NH3+])[nH]c1C 258493093 573374727 /nfs/dbraw/zinc/37/47/27/573374727.db2.gz DBXPXAVOIKGQOS-ZCFIWIBFSA-N 1 1 167.256 1.306 10 0 ADAEMO CN[C@H](CC[NH2+]C)c1cccs1 259431095 573375099 /nfs/dbraw/zinc/37/50/99/573375099.db2.gz NDHAABJXWMNQHN-MRVPVSSYSA-N 1 1 184.308 1.618 10 0 ADAEMO C[C@]1(c2ccc(Cl)o2)[NH2+]CCO1 258332945 573375298 /nfs/dbraw/zinc/37/52/98/573375298.db2.gz DUSVMYGIKKCGDF-QMMMGPOBSA-N 1 1 187.626 1.726 10 0 ADAEMO FC(F)CC[NH2+]Cc1ncccn1 308376430 573375336 /nfs/dbraw/zinc/37/53/36/573375336.db2.gz OBLVKUAYLODGCF-UHFFFAOYSA-N 1 1 187.193 1.221 10 0 ADAEMO CCc1nnc(C[C@H]([NH3+])C(C)(C)C)[nH]1 129662150 573375389 /nfs/dbraw/zinc/37/53/89/573375389.db2.gz ZJKDNPKNJHCAGT-ZETCQYMHSA-N 1 1 196.298 1.283 10 0 ADAEMO CCc1nc(C[C@H]([NH3+])C(C)(C)C)n[nH]1 129662150 573375391 /nfs/dbraw/zinc/37/53/91/573375391.db2.gz ZJKDNPKNJHCAGT-ZETCQYMHSA-N 1 1 196.298 1.283 10 0 ADAEMO CC[N@H+]1CCC[C@@H](/C=C\C(=O)OC)C1 258327674 573375394 /nfs/dbraw/zinc/37/53/94/573375394.db2.gz WSXNOJTUCPTWGD-GFVADAIESA-N 1 1 197.278 1.448 10 0 ADAEMO CCc1nnc(C[C@@H]([NH3+])C(C)(C)C)[nH]1 129662389 573375431 /nfs/dbraw/zinc/37/54/31/573375431.db2.gz ZJKDNPKNJHCAGT-SSDOTTSWSA-N 1 1 196.298 1.283 10 0 ADAEMO CCc1nc(C[C@@H]([NH3+])C(C)(C)C)n[nH]1 129662389 573375437 /nfs/dbraw/zinc/37/54/37/573375437.db2.gz ZJKDNPKNJHCAGT-SSDOTTSWSA-N 1 1 196.298 1.283 10 0 ADAEMO Cc1ccc([C@@H]2C[C@H]([NH3+])CCN2)s1 107139664 573375450 /nfs/dbraw/zinc/37/54/50/573375450.db2.gz JODDHKGZPGZAMR-BDAKNGLRSA-N 1 1 196.319 1.808 10 0 ADAEMO CCCc1[nH+]cc2n1CC[C@@H](O)C2 258330604 573375541 /nfs/dbraw/zinc/37/55/41/573375541.db2.gz 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258018761 573376718 /nfs/dbraw/zinc/37/67/18/573376718.db2.gz BMZBVUOTZVLXGP-NWDGAFQWSA-N 1 1 196.338 1.907 10 0 ADAEMO COc1cn2cc[nH+]c2cc1C 238371217 573375912 /nfs/dbraw/zinc/37/59/12/573375912.db2.gz CYEHTJOXBMURPV-UHFFFAOYSA-N 1 1 162.192 1.651 10 0 ADAEMO Cc1ccsc1[C@@H]1C[C@@H]([NH3+])CCN1 107139682 573376125 /nfs/dbraw/zinc/37/61/25/573376125.db2.gz UXKUQZBSVAEHEH-IUCAKERBSA-N 1 1 196.319 1.808 10 0 ADAEMO CC[C@@H](C)[C@H]1C[N@H+](C)[C@@H](C)CN1 224079288 573376127 /nfs/dbraw/zinc/37/61/27/573376127.db2.gz HEOBILXHDPHLEP-KXUCPTDWSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[C@@H](C)[C@H]1C[N@@H+](C)[C@@H](C)CN1 224079288 573376130 /nfs/dbraw/zinc/37/61/30/573376130.db2.gz HEOBILXHDPHLEP-KXUCPTDWSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[C@@H]1CC[C@@H](N2CC[NH2+]CC2)[C@@H]1C 83049390 573376184 /nfs/dbraw/zinc/37/61/84/573376184.db2.gz WEMBCKCAHFCMCJ-IJLUTSLNSA-N 1 1 196.338 1.716 10 0 ADAEMO [NH3+][C@@H]1CCN[C@H](c2ccc(F)cc2)C1 107137495 573376204 /nfs/dbraw/zinc/37/62/04/573376204.db2.gz CNJTVGZVLXILPK-MNOVXSKESA-N 1 1 194.253 1.578 10 0 ADAEMO CC[NH2+][C@H](C)CN1C[C@H]2CCC[C@@H]2C1 126142473 573376215 /nfs/dbraw/zinc/37/62/15/573376215.db2.gz YBSIYYWQQKHXCD-IJLUTSLNSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](N)C2)[C@@H]1C 83046764 573376378 /nfs/dbraw/zinc/37/63/78/573376378.db2.gz IWKGVMKAIDYEDJ-WYUUTHIRSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1CC[C@H](N2CCC[C@H]([NH3+])C2)[C@@H]1C 83046764 573376382 /nfs/dbraw/zinc/37/63/82/573376382.db2.gz IWKGVMKAIDYEDJ-WYUUTHIRSA-N 1 1 196.338 1.844 10 0 ADAEMO Cc1ccc([C@H]2C[C@@H]([NH3+])CCN2)s1 107139675 573376427 /nfs/dbraw/zinc/37/64/27/573376427.db2.gz JODDHKGZPGZAMR-DTWKUNHWSA-N 1 1 196.319 1.808 10 0 ADAEMO Cc1nc(CC[C@H](C)[NH3+])[nH]c1C 258493090 573376489 /nfs/dbraw/zinc/37/64/89/573376489.db2.gz DBXPXAVOIKGQOS-LURJTMIESA-N 1 1 167.256 1.306 10 0 ADAEMO C[C@@H](C[NH2+]CCNCC1CC1)C1CC1 133153032 573376493 /nfs/dbraw/zinc/37/64/93/573376493.db2.gz WSRAHJGFGQBOJJ-JTQLQIEISA-N 1 1 196.338 1.622 10 0 ADAEMO C[C@@H](CNCC[NH2+]CC1CC1)C1CC1 133153032 573376496 /nfs/dbraw/zinc/37/64/96/573376496.db2.gz WSRAHJGFGQBOJJ-JTQLQIEISA-N 1 1 196.338 1.622 10 0 ADAEMO [NH3+]C[C@H](C1CCCC1)N1CC=CC1 236199014 573376558 /nfs/dbraw/zinc/37/65/58/573376558.db2.gz FCPBZILDNQJEPL-LLVKDONJSA-N 1 1 180.295 1.376 10 0 ADAEMO CC[N@H+]1CCC[C@H]1/C=C\C(=O)OC 258329452 573376636 /nfs/dbraw/zinc/37/66/36/573376636.db2.gz WXEBBHLDEYUGIK-NMTCXDENSA-N 1 1 183.251 1.200 10 0 ADAEMO CCC[C@@H](NC)[C@@H]1CCC[NH2+]1 259429846 573376664 /nfs/dbraw/zinc/37/66/64/573376664.db2.gz NXRTXONCAWYMKR-BDAKNGLRSA-N 1 1 156.273 1.127 10 0 ADAEMO CC[N@H+]1CCC[C@H](/C=C\CCO)C1 258327605 573376693 /nfs/dbraw/zinc/37/66/93/573376693.db2.gz WSELXTWNGUBQCR-UUSYTGMJSA-N 1 1 183.295 1.657 10 0 ADAEMO CC[N@H+]1CCC[C@@H](/C=C\CCO)C1 258327609 573376702 /nfs/dbraw/zinc/37/67/02/573376702.db2.gz WSELXTWNGUBQCR-ZTYXWKCZSA-N 1 1 183.295 1.657 10 0 ADAEMO CC(C)[C@]1([C@H]2CCCCN2)CCC[NH2+]1 258018758 573376805 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C[C@@H](C[NH3+])[C@H](N)c1ccccc1F 259094241 573394862 /nfs/dbraw/zinc/39/48/62/573394862.db2.gz AOFGRBRTXGMHHF-XVKPBYJWSA-N 1 1 182.242 1.420 10 0 ADAEMO CCC(C)(C)[N@H+]1CCCN[C@@H](C)C1 83091654 573394901 /nfs/dbraw/zinc/39/49/01/573394901.db2.gz CYORDOFTYCGVIA-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO Cc1cccc2cnc(CC[NH3+])n12 107164413 573394911 /nfs/dbraw/zinc/39/49/11/573394911.db2.gz YWMDETTWANPDCH-UHFFFAOYSA-N 1 1 175.235 1.144 10 0 ADAEMO CC[C@H](C)[N@H+]1CCCN[C@H](C2CC2)C1 83091459 573395080 /nfs/dbraw/zinc/39/50/80/573395080.db2.gz ZLILQBNXEIEVIO-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1C[N@@H+]([C@@H]2CC2(C)C)CCCN1 83092884 573394936 /nfs/dbraw/zinc/39/49/36/573394936.db2.gz VDFIXELLMQUZBN-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[N@H+]([C@@H]2CC2(C)C)CCCN1 83092884 573394939 /nfs/dbraw/zinc/39/49/39/573394939.db2.gz VDFIXELLMQUZBN-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1C[N@H+](C(C)(C)C)CCCN1 83091258 573394957 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1 1 182.311 1.467 10 0 ADAEMO CC[C@H](C)N1CCC[NH2+][C@H](C2CC2)C1 83091459 573395082 /nfs/dbraw/zinc/39/50/82/573395082.db2.gz ZLILQBNXEIEVIO-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1C[N@H+](C(C)(C)C)CCCCN1 259438181 573395037 /nfs/dbraw/zinc/39/50/37/573395037.db2.gz OJHXYECQBASMCZ-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@H]1C[N@@H+](C2CCC2)[C@H](C)CN1 83090111 573395769 /nfs/dbraw/zinc/39/57/69/573395769.db2.gz WMPQOZSHBNABMF-NXEZZACHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1CN(C2CCC2)[C@H](C)C[NH2+]1 83090111 573395770 /nfs/dbraw/zinc/39/57/70/573395770.db2.gz WMPQOZSHBNABMF-NXEZZACHSA-N 1 1 182.311 1.611 10 0 ADAEMO C1=CC[C@@H](C[N@H+]2CCCNCC2)CC1 83092920 573395778 /nfs/dbraw/zinc/39/57/78/573395778.db2.gz BAPDLXIDHAHQTO-GFCCVEGCSA-N 1 1 194.322 1.638 10 0 ADAEMO CC(C)[C@@H]1CNC(C)(C)C[N@H+]1C1CC1 83088368 573397152 /nfs/dbraw/zinc/39/71/52/573397152.db2.gz BZYXYJHMKJUUSH-NSHDSACASA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1C1CC1 83088368 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ADAEMO C[C@]1([C@H]2CCCC[NH2+]2)CCCCN1 258029005 573428986 /nfs/dbraw/zinc/42/89/86/573428986.db2.gz BZDJUVABHKBFEB-GHMZBOCLSA-N 1 1 182.311 1.661 10 0 ADAEMO C[C@@H](C[N@H+]1CC[C@H](CO)C1)C1CC1 133776170 573428226 /nfs/dbraw/zinc/42/82/26/573428226.db2.gz OVJQEYWIEKCCPM-UWVGGRQHSA-N 1 1 183.295 1.347 10 0 ADAEMO Cn1cc[nH+]c1CC1(CO)CCC1 689847561 573428307 /nfs/dbraw/zinc/42/83/07/573428307.db2.gz WBSNXBUDFNEUTP-UHFFFAOYSA-N 1 1 180.251 1.125 10 0 ADAEMO CC(C)[N@@H+]1CC2=NOC(=O)C2C1 107223423 573428317 /nfs/dbraw/zinc/42/83/17/573428317.db2.gz FBMDPNSUCQEMJW-UHFFFAOYSA-N 1 1 168.196 1.104 10 0 ADAEMO CSCC[N@@H+](C)[C@@H]1CCC[C@@H]1O 133751616 573428355 /nfs/dbraw/zinc/42/83/55/573428355.db2.gz RJBWGEUJDMEYNJ-BDAKNGLRSA-N 1 1 189.324 1.195 10 0 ADAEMO C[N@H+]1CC[C@@H](O)[C@H]1c1ccccc1N 257811527 573428393 /nfs/dbraw/zinc/42/83/93/573428393.db2.gz BEKONIOKKAVYGF-GHMZBOCLSA-N 1 1 192.262 1.006 10 0 ADAEMO CC[C@@H]1C2=NOC(=O)C2C[N@@H+]1C 107223412 573428400 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1.206 10 0 ADAEMO CC[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C(C)C 107224767 573428751 /nfs/dbraw/zinc/42/87/51/573428751.db2.gz ZNAZWOMNNDMHKP-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@@H]1[C@H](N)CCC[N@H+]1C1CC1 107224049 573428890 /nfs/dbraw/zinc/42/88/90/573428890.db2.gz CRDNMJRMTQGGKM-NXEZZACHSA-N 1 1 168.284 1.351 10 0 ADAEMO CC[C@@H]1[C@@H](O)CCC[N@H+]1C1CC1 107224336 573428846 /nfs/dbraw/zinc/42/88/46/573428846.db2.gz TWVQGNYOQVBXBN-ZJUUUORDSA-N 1 1 169.268 1.384 10 0 ADAEMO C[C@]1([C@H]2CCCCN2)CCCC[NH2+]1 258029005 573428990 /nfs/dbraw/zinc/42/89/90/573428990.db2.gz BZDJUVABHKBFEB-GHMZBOCLSA-N 1 1 182.311 1.661 10 0 ADAEMO CC[C@H]1[C@@H]([NH3+])CCCN1C1CC1 107224060 573428994 /nfs/dbraw/zinc/42/89/94/573428994.db2.gz CRDNMJRMTQGGKM-UWVGGRQHSA-N 1 1 168.284 1.351 10 0 ADAEMO CC[C@H]1[C@@H](N)CCC[N@@H+]1C1CC1 107224060 573428999 /nfs/dbraw/zinc/42/89/99/573428999.db2.gz CRDNMJRMTQGGKM-UWVGGRQHSA-N 1 1 168.284 1.351 10 0 ADAEMO CC[C@H]1[C@@H](N)CCC[N@H+]1C1CC1 107224060 573429003 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182.311 1.661 10 0 ADAEMO Nc1cc([C@H]2CCCC[C@H]2O)cc[nH+]1 144179376 573429420 /nfs/dbraw/zinc/42/94/20/573429420.db2.gz YYBLMJAFMQJVOY-NXEZZACHSA-N 1 1 192.262 1.682 10 0 ADAEMO CC(C)[C@@H]1[C@@H](O)CC[N@H+]1C1CC1 107224320 573429442 /nfs/dbraw/zinc/42/94/42/573429442.db2.gz MCBHSTAGTNALRV-VHSXEESVSA-N 1 1 169.268 1.240 10 0 ADAEMO CCc1cc([C@H]([NH3+])C(C)C)n[nH]1 107223128 573429493 /nfs/dbraw/zinc/42/94/93/573429493.db2.gz CWKBSKAKKHMQMD-SECBINFHSA-N 1 1 167.256 1.628 10 0 ADAEMO CN(C)C1([C@H]2CC[NH2+]C23CC3)CC1 257811991 573429516 /nfs/dbraw/zinc/42/95/16/573429516.db2.gz BIVCYWFCINCVRX-VIFPVBQESA-N 1 1 180.295 1.223 10 0 ADAEMO CC(C)[NH2+]Cc1cnsn1 86454001 573431472 /nfs/dbraw/zinc/43/14/72/573431472.db2.gz XELZGAYIFBLEPG-UHFFFAOYSA-N 1 1 157.242 1.036 10 0 ADAEMO CC(C)[C@H]1[C@H](N)CC[N@@H+]1C1CC1 107224042 573431526 /nfs/dbraw/zinc/43/15/26/573431526.db2.gz GFLJYYACOWLFJL-ZJUUUORDSA-N 1 1 168.284 1.206 10 0 ADAEMO CC(C)[C@H]1[C@H](N)CC[N@H+]1C1CC1 107224042 573431530 /nfs/dbraw/zinc/43/15/30/573431530.db2.gz GFLJYYACOWLFJL-ZJUUUORDSA-N 1 1 168.284 1.206 10 0 ADAEMO CC[C@H]1[C@H]([NH3+])CCCN1C1CC1 107224053 573433689 /nfs/dbraw/zinc/43/36/89/573433689.db2.gz CRDNMJRMTQGGKM-ZJUUUORDSA-N 1 1 168.284 1.351 10 0 ADAEMO CC(C)[C@H]1[C@@H](N)CC[N@@H+]1C1CC1 107224046 573431584 /nfs/dbraw/zinc/43/15/84/573431584.db2.gz GFLJYYACOWLFJL-UWVGGRQHSA-N 1 1 168.284 1.206 10 0 ADAEMO CC(C)[C@H]1[C@@H](N)CC[N@H+]1C1CC1 107224046 573431588 /nfs/dbraw/zinc/43/15/88/573431588.db2.gz GFLJYYACOWLFJL-UWVGGRQHSA-N 1 1 168.284 1.206 10 0 ADAEMO CC[C@H]1[C@H](N)CCC[N@@H+]1C1CC1 107224053 573433696 /nfs/dbraw/zinc/43/36/96/573433696.db2.gz CRDNMJRMTQGGKM-ZJUUUORDSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H](CN1CCCC1)NC1=[NH+]CCC1 86454990 573431755 /nfs/dbraw/zinc/43/17/55/573431755.db2.gz QPGXWODRZSBJDZ-JTQLQIEISA-N 1 1 195.310 1.253 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H]([C@@H](F)CO)C1 257812004 573431827 /nfs/dbraw/zinc/43/18/27/573431827.db2.gz BJJBKUVGXNAZHU-BDAKNGLRSA-N 1 1 175.247 1.047 10 0 ADAEMO CN(C)C1([C@@H]2CC[NH2+]C23CC3)CC1 257811990 573431856 /nfs/dbraw/zinc/43/18/56/573431856.db2.gz BIVCYWFCINCVRX-SECBINFHSA-N 1 1 180.295 1.223 10 0 ADAEMO CC(C)C[C@@H]1C(=O)CCC[N@H+]1C 107224343 573432025 /nfs/dbraw/zinc/43/20/25/573432025.db2.gz XSTMQHXKUASMKZ-SECBINFHSA-N 1 1 169.268 1.696 10 0 ADAEMO CC(C)C[C@@H]1C(=O)CCC[N@@H+]1C 107224343 573432026 /nfs/dbraw/zinc/43/20/26/573432026.db2.gz XSTMQHXKUASMKZ-SECBINFHSA-N 1 1 169.268 1.696 10 0 ADAEMO CC(C)[C@@H]1[C@H](N)CC[N@@H+]1C1CC1 107224039 573433717 /nfs/dbraw/zinc/43/37/17/573433717.db2.gz GFLJYYACOWLFJL-NXEZZACHSA-N 1 1 168.284 1.206 10 0 ADAEMO CC[C@@H](CO)C[C@H]1CC[N@@H+](C)C1 259449295 573432053 /nfs/dbraw/zinc/43/20/53/573432053.db2.gz QHXJOLRZUJKEIO-NXEZZACHSA-N 1 1 171.284 1.347 10 0 ADAEMO CCc1cc([C@@H]([NH3+])C(C)C)n[nH]1 107223133 573432102 /nfs/dbraw/zinc/43/21/02/573432102.db2.gz CWKBSKAKKHMQMD-VIFPVBQESA-N 1 1 167.256 1.628 10 0 ADAEMO C[C@H](O)C(F)(F)[C@@H]1CCC[N@@H+](C)C1 257812248 573432117 /nfs/dbraw/zinc/43/21/17/573432117.db2.gz BPBJLMRDYQLPHI-JGVFFNPUSA-N 1 1 193.237 1.344 10 0 ADAEMO CC(C)[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C 107224773 573432134 /nfs/dbraw/zinc/43/21/34/573432134.db2.gz UOLJMCIIRKCLGL-VHSXEESVSA-N 1 1 170.300 1.312 10 0 ADAEMO CC(C)[C@@H]1[C@H](N)CC[N@H+]1C1CC1 107224039 573433719 /nfs/dbraw/zinc/43/37/19/573433719.db2.gz GFLJYYACOWLFJL-NXEZZACHSA-N 1 1 168.284 1.206 10 0 ADAEMO C1C[NH+]=C(N[C@@H]2CCN3CCC[C@H]23)C1 86455139 573432183 /nfs/dbraw/zinc/43/21/83/573432183.db2.gz MJTQUOPEJYYSNO-NXEZZACHSA-N 1 1 193.294 1.005 10 0 ADAEMO C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)CN(C)C 308581840 573432367 /nfs/dbraw/zinc/43/23/67/573432367.db2.gz PQFGIVRMGNKXTH-GHMZBOCLSA-N 1 1 198.354 1.820 10 0 ADAEMO CC(C)[C@H]1[NH2+]Cc2c1noc2N 107222708 573432373 /nfs/dbraw/zinc/43/23/73/573432373.db2.gz HDTSKKRQAXKPAF-ZCFIWIBFSA-N 1 1 167.212 1.057 10 0 ADAEMO C[C@H]1C[C@H]1C[NH2+]CC(C)(C)CN(C)C 308581844 573432427 /nfs/dbraw/zinc/43/24/27/573432427.db2.gz PQFGIVRMGNKXTH-QWRGUYRKSA-N 1 1 198.354 1.820 10 0 ADAEMO CC(C)[C@@H]1[C@H](O)CC[N@H+]1C1CC1 107224313 573432512 /nfs/dbraw/zinc/43/25/12/573432512.db2.gz MCBHSTAGTNALRV-NXEZZACHSA-N 1 1 169.268 1.240 10 0 ADAEMO C[C@H](CN1CCCC1)NC1=[NH+]CCC1 86454991 573432573 /nfs/dbraw/zinc/43/25/73/573432573.db2.gz QPGXWODRZSBJDZ-SNVBAGLBSA-N 1 1 195.310 1.253 10 0 ADAEMO Cc1cccc2c1[C@H](CN)[NH2+]CC2 257812045 573432671 /nfs/dbraw/zinc/43/26/71/573432671.db2.gz BKQOUGQSXDNXEC-JTQLQIEISA-N 1 1 176.263 1.141 10 0 ADAEMO CC(C)C[C@H]1C(=O)CCC[N@H+]1C 107224347 573432684 /nfs/dbraw/zinc/43/26/84/573432684.db2.gz XSTMQHXKUASMKZ-VIFPVBQESA-N 1 1 169.268 1.696 10 0 ADAEMO CC(C)C[C@H]1C(=O)CCC[N@@H+]1C 107224347 573432693 /nfs/dbraw/zinc/43/26/93/573432693.db2.gz XSTMQHXKUASMKZ-VIFPVBQESA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@H]1CC[N@@H+](CC(C)(C)CO)C1 133739440 573432728 /nfs/dbraw/zinc/43/27/28/573432728.db2.gz NPZGHUNZMDOFAS-JTQLQIEISA-N 1 1 185.311 1.737 10 0 ADAEMO Cc1cccc2c1[C@@H](CN)[NH2+]CC2 257812046 573432756 /nfs/dbraw/zinc/43/27/56/573432756.db2.gz BKQOUGQSXDNXEC-SNVBAGLBSA-N 1 1 176.263 1.141 10 0 ADAEMO C[C@@H](O)C(F)(F)[C@@H]1CCC[N@@H+](C)C1 257812246 573434063 /nfs/dbraw/zinc/43/40/63/573434063.db2.gz BPBJLMRDYQLPHI-HTQZYQBOSA-N 1 1 193.237 1.344 10 0 ADAEMO C[C@H]([NH3+])C[C@@H](c1cc[nH]c1)N(C)C 259448280 573432959 /nfs/dbraw/zinc/43/29/59/573432959.db2.gz JCRWWEMIXBGNNJ-WPRPVWTQSA-N 1 1 181.283 1.355 10 0 ADAEMO CN(C)c1ccc(F)cc1C(=O)C[NH3+] 258030234 573433004 /nfs/dbraw/zinc/43/30/04/573433004.db2.gz IXEPHYLXQUGBBH-UHFFFAOYSA-N 1 1 196.225 1.033 10 0 ADAEMO CC[C@H]1[C@@H](O)CCC[N@H+]1C1CC1 107224339 573433023 /nfs/dbraw/zinc/43/30/23/573433023.db2.gz TWVQGNYOQVBXBN-UWVGGRQHSA-N 1 1 169.268 1.384 10 0 ADAEMO C[C@@H]1[NH2+]C[C@@H]2CCCN3CCC[C@@H]1[C@@H]23 238394385 573433031 /nfs/dbraw/zinc/43/30/31/573433031.db2.gz CPDUVZYZIPKSNT-FIQHERPVSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@@H](O)C(F)(F)[C@H]1CCC[N@@H+](C)C1 257812249 573433366 /nfs/dbraw/zinc/43/33/66/573433366.db2.gz BPBJLMRDYQLPHI-SFYZADRCSA-N 1 1 193.237 1.344 10 0 ADAEMO CC(C)[N@H+]1CC[C@H]([C@H](F)CO)C1 257812005 573433594 /nfs/dbraw/zinc/43/35/94/573433594.db2.gz BJJBKUVGXNAZHU-DTWKUNHWSA-N 1 1 175.247 1.047 10 0 ADAEMO C[C@@H]1[NH2+]C[C@@]1(F)c1ccccc1 238394692 573433631 /nfs/dbraw/zinc/43/36/31/573433631.db2.gz UGRFTVIBVYMKFI-WPRPVWTQSA-N 1 1 165.211 1.843 10 0 ADAEMO CC[C@H]1[C@H](N)CCC[N@H+]1C1CC1 107224053 573433700 /nfs/dbraw/zinc/43/37/00/573433700.db2.gz CRDNMJRMTQGGKM-ZJUUUORDSA-N 1 1 168.284 1.351 10 0 ADAEMO CC[C@H]1[C@@H](C[NH3+])CC[N@H+]1C(C)C 107224769 573433780 /nfs/dbraw/zinc/43/37/80/573433780.db2.gz ZNAZWOMNNDMHKP-ZJUUUORDSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]([NH3+])C[C@@H](c1cc[nH]c1)N(C)C 259448272 573433821 /nfs/dbraw/zinc/43/38/21/573433821.db2.gz JCRWWEMIXBGNNJ-SCZZXKLOSA-N 1 1 181.283 1.355 10 0 ADAEMO CC[C@H]1[C@H](O)CCC[N@H+]1C1CC1 107224333 573433850 /nfs/dbraw/zinc/43/38/50/573433850.db2.gz TWVQGNYOQVBXBN-VHSXEESVSA-N 1 1 169.268 1.384 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H]([C@H](F)CO)C1 257812007 573433896 /nfs/dbraw/zinc/43/38/96/573433896.db2.gz BJJBKUVGXNAZHU-RKDXNWHRSA-N 1 1 175.247 1.047 10 0 ADAEMO Nc1cc([C@H]2CCC[C@@H]2O)cc[nH+]1 144290550 573435147 /nfs/dbraw/zinc/43/51/47/573435147.db2.gz ASOYTCWRYMWPPK-BDAKNGLRSA-N 1 1 178.235 1.292 10 0 ADAEMO CC[C@H](CO)C[C@H]1CC[N@@H+](C)C1 259449299 573435345 /nfs/dbraw/zinc/43/53/45/573435345.db2.gz QHXJOLRZUJKEIO-VHSXEESVSA-N 1 1 171.284 1.347 10 0 ADAEMO CC(C)[N@H+]1CCC[C@](F)(C[NH3+])C1 118866249 573435466 /nfs/dbraw/zinc/43/54/66/573435466.db2.gz IBGGWXOGALBXIZ-VIFPVBQESA-N 1 1 174.263 1.158 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@](F)(CN)C1 118866249 573435470 /nfs/dbraw/zinc/43/54/70/573435470.db2.gz IBGGWXOGALBXIZ-VIFPVBQESA-N 1 1 174.263 1.158 10 0 ADAEMO Cc1nc(C2C[NH2+]C2)[nH]c1CC(C)C 257812574 573435506 /nfs/dbraw/zinc/43/55/06/573435506.db2.gz BUUOAXUZJIIGCK-UHFFFAOYSA-N 1 1 193.294 1.603 10 0 ADAEMO CC[C@@H]1CC[N@@H+](CC(C)(C)CO)C1 133739214 573435508 /nfs/dbraw/zinc/43/55/08/573435508.db2.gz NPZGHUNZMDOFAS-SNVBAGLBSA-N 1 1 185.311 1.737 10 0 ADAEMO CCC[C@H](C[NH2+]C1CC1)NC 259102854 573435550 /nfs/dbraw/zinc/43/55/50/573435550.db2.gz AKRFYORUTIMBAW-SECBINFHSA-N 1 1 156.273 1.127 10 0 ADAEMO C[C@@H]1[C@@H]2CCCN[C@@H]2C[N@@H+]1C1CC1 107227990 573435604 /nfs/dbraw/zinc/43/56/04/573435604.db2.gz LWEOTZTTZXXRGE-DVVUODLYSA-N 1 1 180.295 1.221 10 0 ADAEMO C[C@@H]1[C@@H]2CCCN[C@@H]2C[N@H+]1C1CC1 107227990 573435609 /nfs/dbraw/zinc/43/56/09/573435609.db2.gz LWEOTZTTZXXRGE-DVVUODLYSA-N 1 1 180.295 1.221 10 0 ADAEMO Nc1cc([C@H]2CCC[C@H]2O)cc[nH+]1 144290945 573435610 /nfs/dbraw/zinc/43/56/10/573435610.db2.gz ASOYTCWRYMWPPK-RKDXNWHRSA-N 1 1 178.235 1.292 10 0 ADAEMO CC[C@@H]1[C@@H]2NCCC[C@H]2C[N@H+]1C1CC1 107235872 573435641 /nfs/dbraw/zinc/43/56/41/573435641.db2.gz LIEFQBAVPAZIDX-MVWJERBFSA-N 1 1 194.322 1.611 10 0 ADAEMO CC[C@@H]1[C@@H]2NCCC[C@H]2C[N@@H+]1C1CC1 107235872 573435635 /nfs/dbraw/zinc/43/56/35/573435635.db2.gz LIEFQBAVPAZIDX-MVWJERBFSA-N 1 1 194.322 1.611 10 0 ADAEMO C[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 107233271 573435695 /nfs/dbraw/zinc/43/56/95/573435695.db2.gz KTLNJAIXXVHARD-PWSUYJOCSA-N 1 1 191.274 1.642 10 0 ADAEMO [NH3+]Cc1ncc(Cc2ccccc2)o1 107232907 573435739 /nfs/dbraw/zinc/43/57/39/573435739.db2.gz DQHJIUWAMXFTCC-UHFFFAOYSA-N 1 1 188.230 1.724 10 0 ADAEMO CCc1cc(CCC2([NH3+])CC2)n[nH]1 257812648 573435796 /nfs/dbraw/zinc/43/57/96/573435796.db2.gz BQSDDQXUEUVLSM-UHFFFAOYSA-N 1 1 179.267 1.396 10 0 ADAEMO CCC[C@@H](C[NH2+]C1CC1)NC 259102856 573435808 /nfs/dbraw/zinc/43/58/08/573435808.db2.gz AKRFYORUTIMBAW-VIFPVBQESA-N 1 1 156.273 1.127 10 0 ADAEMO Cc1cccc([C@@H](N)C2C[NH2+]C2)c1 259102909 573435869 /nfs/dbraw/zinc/43/58/69/573435869.db2.gz BAIDIYSLZQJBIC-LLVKDONJSA-N 1 1 176.263 1.214 10 0 ADAEMO C[C@@H]([NH3+])C[C@H](c1cc[nH]c1)N(C)C 259448269 573435923 /nfs/dbraw/zinc/43/59/23/573435923.db2.gz JCRWWEMIXBGNNJ-PSASIEDQSA-N 1 1 181.283 1.355 10 0 ADAEMO CCO[NH+]=C1CCCCN1 86455863 573435956 /nfs/dbraw/zinc/43/59/56/573435956.db2.gz JJRNNPQZINUURF-UHFFFAOYSA-N 1 1 142.202 1.110 10 0 ADAEMO [NH3+][C@H](c1ccccc1)c1cc(=O)o[nH]1 107233060 573436047 /nfs/dbraw/zinc/43/60/47/573436047.db2.gz DPEXHMKQVMXEAW-SNVBAGLBSA-N 1 1 190.202 1.428 10 0 ADAEMO C[N@H+]1CCCC[C@]1(CN)C1CCC1 258651782 573436074 /nfs/dbraw/zinc/43/60/74/573436074.db2.gz KVWCIASSXDMABP-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO CN1CCCC[C@]1(C[NH3+])C1CCC1 258651782 573436081 /nfs/dbraw/zinc/43/60/81/573436081.db2.gz KVWCIASSXDMABP-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO C1C[NH2+]C[C@@]2(C1)CCCN(C1CC1)C2 107235749 573436096 /nfs/dbraw/zinc/43/60/96/573436096.db2.gz CTSPRWQHAZEVOT-GFCCVEGCSA-N 1 1 194.322 1.614 10 0 ADAEMO CC(C)[C@@]1([C@H]2CCCCN2)CCC[NH2+]1 258020956 573436145 /nfs/dbraw/zinc/43/61/45/573436145.db2.gz BMZBVUOTZVLXGP-VXGBXAGGSA-N 1 1 196.338 1.907 10 0 ADAEMO CN(C)[C@@H](c1cc[nH]c1)C1(C[NH3+])CC1 259448132 573436628 /nfs/dbraw/zinc/43/66/28/573436628.db2.gz JBPNDVDCULAHTG-JTQLQIEISA-N 1 1 193.294 1.356 10 0 ADAEMO CC[C@H]1[N@@H+](C)CCC[C@@]12CCC[NH2+]C2 107237437 573436662 /nfs/dbraw/zinc/43/66/62/573436662.db2.gz FYXWZPLJAQDDHI-VXGBXAGGSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 107233267 573436720 /nfs/dbraw/zinc/43/67/20/573436720.db2.gz KTLNJAIXXVHARD-CMPLNLGQSA-N 1 1 191.274 1.642 10 0 ADAEMO Cc1[nH]nc(C[C@@H]2CCCC[NH2+]2)c1C 107234718 573436733 /nfs/dbraw/zinc/43/67/33/573436733.db2.gz ZDPMDGVRDUPWES-JTQLQIEISA-N 1 1 193.294 1.711 10 0 ADAEMO C1CO[C@H](c2onc3c2CC[NH2+]C3)C1 107235003 573436769 /nfs/dbraw/zinc/43/67/69/573436769.db2.gz TXISKRKXTYNVGQ-VIFPVBQESA-N 1 1 194.234 1.172 10 0 ADAEMO C1C[NH2+][C@H]2CCN(C3CC3)CC[C@H]2C1 107235879 573437336 /nfs/dbraw/zinc/43/73/36/573437336.db2.gz KMTNGMUCAQKEAH-PWSUYJOCSA-N 1 1 194.322 1.613 10 0 ADAEMO CC[C@H]1[N@@H+](C)CCC[C@]12CCC[NH2+]C2 107237432 573437390 /nfs/dbraw/zinc/43/73/90/573437390.db2.gz FYXWZPLJAQDDHI-NEPJUHHUSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]1C[NH2+]C(C)(C)C[C@@H](C)N1 238395258 573437488 /nfs/dbraw/zinc/43/74/88/573437488.db2.gz FMOQQWIPJBEVPI-HTQZYQBOSA-N 1 1 156.273 1.125 10 0 ADAEMO Cc1ccc2c(c1)CC[NH2+][C@H]2CN 257812740 573437541 /nfs/dbraw/zinc/43/75/41/573437541.db2.gz BUMHNLNNLIBFOF-NSHDSACASA-N 1 1 176.263 1.141 10 0 ADAEMO CC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](C)O 308582357 573437602 /nfs/dbraw/zinc/43/76/02/573437602.db2.gz KMIAYOZRMPPCEW-QWRGUYRKSA-N 1 1 199.294 1.201 10 0 ADAEMO CC(C)N1C[C@@H]2CCC[NH2+][C@H]2[C@@H]1C 107229947 573437680 /nfs/dbraw/zinc/43/76/80/573437680.db2.gz HNCLMLWZPMIYCI-DCAQKATOSA-N 1 1 182.311 1.467 10 0 ADAEMO FC(F)(F)c1ncnc2c1C[NH2+]C2 107232943 573437794 /nfs/dbraw/zinc/43/77/94/573437794.db2.gz SUTBZOYQJCYBDW-UHFFFAOYSA-N 1 1 189.140 1.099 10 0 ADAEMO C[NH2+][C@@H](C)Cc1cc(CC(C)C)[nH]n1 257813332 573437819 /nfs/dbraw/zinc/43/78/19/573437819.db2.gz CCKXVEVPVSKABD-VIFPVBQESA-N 1 1 195.310 1.759 10 0 ADAEMO C1CCC(c2onc3c2CC[NH2+]C3)C1 107233677 573437951 /nfs/dbraw/zinc/43/79/51/573437951.db2.gz FZOFHYLSMUXGAW-UHFFFAOYSA-N 1 1 192.262 1.978 10 0 ADAEMO CN(O)CC[C@@H]1CCC[N@@H+](C)C1 257813161 573438042 /nfs/dbraw/zinc/43/80/42/573438042.db2.gz BZTYJUDZYZHIAH-VIFPVBQESA-N 1 1 172.272 1.039 10 0 ADAEMO CN(O)CC[C@H]1CCC[N@@H+](C)C1 257813160 573438054 /nfs/dbraw/zinc/43/80/54/573438054.db2.gz BZTYJUDZYZHIAH-SECBINFHSA-N 1 1 172.272 1.039 10 0 ADAEMO CCc1cc(C[C@H]2CCCC[NH2+]2)n[nH]1 107234730 573438333 /nfs/dbraw/zinc/43/83/33/573438333.db2.gz PIRQXLANZCUXLP-SNVBAGLBSA-N 1 1 193.294 1.657 10 0 ADAEMO C[C@@]1(O)CC[N@H+]2CCCC[C@@H]2C1 258652141 573438357 /nfs/dbraw/zinc/43/83/57/573438357.db2.gz ZNPKQNSVEXLERO-NXEZZACHSA-N 1 1 169.268 1.386 10 0 ADAEMO CCC(=O)C[N@H+]1CCC[C@@H]1C[C@H](C)O 308582317 573438361 /nfs/dbraw/zinc/43/83/61/573438361.db2.gz KKXYNIIUMDOVHC-VHSXEESVSA-N 1 1 199.294 1.201 10 0 ADAEMO C1C[NH+]=C(N[C@H]2CCN3CCC[C@H]23)C1 86455141 573438364 /nfs/dbraw/zinc/43/83/64/573438364.db2.gz MJTQUOPEJYYSNO-VHSXEESVSA-N 1 1 193.294 1.005 10 0 ADAEMO O=C1C[NH2+]CC[C@@H]1C1CCSCC1 257812988 573438414 /nfs/dbraw/zinc/43/84/14/573438414.db2.gz ARWVYUGLTCCZLT-SECBINFHSA-N 1 1 199.319 1.308 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1/C=C\CCO 258021173 573438490 /nfs/dbraw/zinc/43/84/90/573438490.db2.gz BOKVCPXMOFPDBU-ZTYXWKCZSA-N 1 1 183.295 1.798 10 0 ADAEMO C[NH2+]CC(F)(F)[C@H]1CCCO1 258655334 573438534 /nfs/dbraw/zinc/43/85/34/573438534.db2.gz ZUCNRTNPQHACCS-ZCFIWIBFSA-N 1 1 165.183 1.020 10 0 ADAEMO C[NH2+]CC[C@H](N)c1ccc(C)c(C)c1 259449440 573438542 /nfs/dbraw/zinc/43/85/42/573438542.db2.gz QJRKJIYCPVEAPU-LBPRGKRZSA-N 1 1 192.306 1.913 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](C/C=C\CO)C1 258344424 573438713 /nfs/dbraw/zinc/43/87/13/573438713.db2.gz XXZPAOQZASRAQW-BYCRGOAPSA-N 1 1 183.295 1.655 10 0 ADAEMO Cc1n[nH]c(CC2CC[NH2+]CC2)c1C 107234698 573438742 /nfs/dbraw/zinc/43/87/42/573438742.db2.gz XUZHLKQFFIJIJL-UHFFFAOYSA-N 1 1 193.294 1.569 10 0 ADAEMO C[NH2+][C@H](C)Cc1cc(CC(C)C)[nH]n1 257813331 573438840 /nfs/dbraw/zinc/43/88/40/573438840.db2.gz CCKXVEVPVSKABD-SECBINFHSA-N 1 1 195.310 1.759 10 0 ADAEMO C[NH2+]CC[C@@H](N)c1ccc(C)c(C)c1 259449439 573438937 /nfs/dbraw/zinc/43/89/37/573438937.db2.gz QJRKJIYCPVEAPU-GFCCVEGCSA-N 1 1 192.306 1.913 10 0 ADAEMO CCc1[nH]nc([C@@H]2CCC[NH2+]C2)c1C 107234764 573438946 /nfs/dbraw/zinc/43/89/46/573438946.db2.gz HAIQGONWNAFNFG-SECBINFHSA-N 1 1 193.294 1.748 10 0 ADAEMO C[C@@H]1[NH2+]C[C@]1(F)c1ccccc1 238395387 573438971 /nfs/dbraw/zinc/43/89/71/573438971.db2.gz UGRFTVIBVYMKFI-WCBMZHEXSA-N 1 1 165.211 1.843 10 0 ADAEMO C1C[NH+]=C(N[C@@H]2CCN3CCC[C@@H]23)C1 86455140 573438976 /nfs/dbraw/zinc/43/89/76/573438976.db2.gz MJTQUOPEJYYSNO-ZJUUUORDSA-N 1 1 193.294 1.005 10 0 ADAEMO Cc1[nH]nc(C[C@H]2CCC[NH2+]C2)c1C 107234707 573439020 /nfs/dbraw/zinc/43/90/20/573439020.db2.gz RXFLQUCZMOMYGC-SNVBAGLBSA-N 1 1 193.294 1.569 10 0 ADAEMO Cc1[nH]nc(C[C@@H]2CCC[NH2+]C2)c1C 107234704 573439085 /nfs/dbraw/zinc/43/90/85/573439085.db2.gz RXFLQUCZMOMYGC-JTQLQIEISA-N 1 1 193.294 1.569 10 0 ADAEMO C[C@@]1(O)CC[N@H+]2CCCC[C@H]2C1 258652148 573439141 /nfs/dbraw/zinc/43/91/41/573439141.db2.gz ZNPKQNSVEXLERO-VHSXEESVSA-N 1 1 169.268 1.386 10 0 ADAEMO C[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2CCN1C1CC1 107235815 573439227 /nfs/dbraw/zinc/43/92/27/573439227.db2.gz RQFMNYMXVVZRIH-FOGDFJRCSA-N 1 1 194.322 1.469 10 0 ADAEMO CCc1[nH]c(C[C@@H]2CC[NH2+]C2)nc1C 257813266 573439270 /nfs/dbraw/zinc/43/92/70/573439270.db2.gz CARHUSWVEVBSLF-VIFPVBQESA-N 1 1 193.294 1.433 10 0 ADAEMO Cc1[nH]nc(C[C@H]2CCCC[NH2+]2)c1C 107234722 573440232 /nfs/dbraw/zinc/44/02/32/573440232.db2.gz ZDPMDGVRDUPWES-SNVBAGLBSA-N 1 1 193.294 1.711 10 0 ADAEMO CCC(=O)C[N@H+]1CCC[C@H]1C[C@@H](C)O 308582318 573439317 /nfs/dbraw/zinc/43/93/17/573439317.db2.gz KKXYNIIUMDOVHC-ZJUUUORDSA-N 1 1 199.294 1.201 10 0 ADAEMO COc1cc(N)cc(C(C)C)[nH+]1 258652403 573439338 /nfs/dbraw/zinc/43/93/38/573439338.db2.gz ZRMFKLBYRJUTLM-UHFFFAOYSA-N 1 1 166.224 1.796 10 0 ADAEMO Nc1c2c(nn1C1CCCC1)C[NH2+]C2 257812862 573439339 /nfs/dbraw/zinc/43/93/39/573439339.db2.gz BWWDEEPZBVCNBP-UHFFFAOYSA-N 1 1 192.266 1.184 10 0 ADAEMO C[C@]1(O)CC[N@H+]2CCCC[C@@H]2C1 258652152 573439450 /nfs/dbraw/zinc/43/94/50/573439450.db2.gz ZNPKQNSVEXLERO-ZJUUUORDSA-N 1 1 169.268 1.386 10 0 ADAEMO C1C[NH+]=C(N[C@H]2CCN3CCC[C@@H]23)C1 86455142 573439503 /nfs/dbraw/zinc/43/95/03/573439503.db2.gz MJTQUOPEJYYSNO-UWVGGRQHSA-N 1 1 193.294 1.005 10 0 ADAEMO COC(=O)/C=C1/CC[N@@H+](C)[C@H](C)C1 107230518 573439553 /nfs/dbraw/zinc/43/95/53/573439553.db2.gz YETYPZJKUFVGJQ-XZZQCUQZSA-N 1 1 183.251 1.200 10 0 ADAEMO C[C@@H]1[C@H]2C[NH2+]CC[C@@H]2CCN1C1CC1 107235820 573439583 /nfs/dbraw/zinc/43/95/83/573439583.db2.gz RQFMNYMXVVZRIH-CKYFFXLPSA-N 1 1 194.322 1.469 10 0 ADAEMO CC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](C)O 308582358 573439665 /nfs/dbraw/zinc/43/96/65/573439665.db2.gz KMIAYOZRMPPCEW-WDEREUQCSA-N 1 1 199.294 1.201 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](C/C=C\CO)C1 258344427 573439720 /nfs/dbraw/zinc/43/97/20/573439720.db2.gz 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C[N@H+]1CCCC[C@@]1(CN)C1CCC1 258651778 573440068 /nfs/dbraw/zinc/44/00/68/573440068.db2.gz KVWCIASSXDMABP-LLVKDONJSA-N 1 1 182.311 1.600 10 0 ADAEMO CN1CCCC[C@@]1(C[NH3+])C1CCC1 258651778 573440075 /nfs/dbraw/zinc/44/00/75/573440075.db2.gz KVWCIASSXDMABP-LLVKDONJSA-N 1 1 182.311 1.600 10 0 ADAEMO CC(C)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 107229924 573440983 /nfs/dbraw/zinc/44/09/83/573440983.db2.gz JZFAZNBGROITDH-MNOVXSKESA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@@H]1[C@@H]2[NH2+]CCC[C@H]2CN1C 107229898 573441607 /nfs/dbraw/zinc/44/16/07/573441607.db2.gz RPZYTJWJAZOYHJ-HBNTYKKESA-N 1 1 182.311 1.325 10 0 ADAEMO C1C[NH2+][C@H]2CCN(C3CC3)C[C@H]2C1 107228007 573440794 /nfs/dbraw/zinc/44/07/94/573440794.db2.gz JVTBTAMPOQJZMH-KOLCDFICSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[NH2+][C@H]2CCN(C3CC3)C[C@@H]2C1 107228011 573440809 /nfs/dbraw/zinc/44/08/09/573440809.db2.gz JVTBTAMPOQJZMH-ONGXEEELSA-N 1 1 180.295 1.223 10 0 ADAEMO CSc1ccc(C)c(C(=O)C[NH3+])c1 258021644 573440847 /nfs/dbraw/zinc/44/08/47/573440847.db2.gz IGDSXTFCMSYUTG-UHFFFAOYSA-N 1 1 195.287 1.858 10 0 ADAEMO CC(C)N1C[C@@H]2CCC[NH2+][C@@H]2[C@@H]1C 107229942 573440901 /nfs/dbraw/zinc/44/09/01/573440901.db2.gz HNCLMLWZPMIYCI-GARJFASQSA-N 1 1 182.311 1.467 10 0 ADAEMO C1C[NH2+]C[C@]2(C1)CCCN(C1CC1)C2 107235753 573441078 /nfs/dbraw/zinc/44/10/78/573441078.db2.gz CTSPRWQHAZEVOT-LBPRGKRZSA-N 1 1 194.322 1.614 10 0 ADAEMO CC(C)N1C[C@@H]2CCC[NH2+][C@@H]2[C@H]1C 107229939 573441099 /nfs/dbraw/zinc/44/10/99/573441099.db2.gz HNCLMLWZPMIYCI-OUAUKWLOSA-N 1 1 182.311 1.467 10 0 ADAEMO [NH3+][C@@H](c1ccccc1)c1cc(=O)o[nH]1 107233058 573441267 /nfs/dbraw/zinc/44/12/67/573441267.db2.gz DPEXHMKQVMXEAW-JTQLQIEISA-N 1 1 190.202 1.428 10 0 ADAEMO COc1c(Cl)ccn2c(N)c[nH+]c12 238396595 573441326 /nfs/dbraw/zinc/44/13/26/573441326.db2.gz AWAWYPSNTWCKOP-UHFFFAOYSA-N 1 1 197.625 1.579 10 0 ADAEMO CCc1[nH]nc(C2CC[NH2+]CC2)c1C 107234770 573441347 /nfs/dbraw/zinc/44/13/47/573441347.db2.gz UWAQMMUDOPDSOC-UHFFFAOYSA-N 1 1 193.294 1.748 10 0 ADAEMO CC[C@@H](F)C[N@@H+](CCO)C1CCC1 308390522 573441361 /nfs/dbraw/zinc/44/13/61/573441361.db2.gz ZFETUOQLCPGMHB-SECBINFHSA-N 1 1 189.274 1.581 10 0 ADAEMO CC[N@@H+](CC=C1CCC1)C[C@H](C)O 308390540 573441385 /nfs/dbraw/zinc/44/13/85/573441385.db2.gz ZFYNIBOPQJZZSQ-JTQLQIEISA-N 1 1 183.295 1.799 10 0 ADAEMO COc1c(Cl)ccn2c[nH+]cc12 238396648 573441387 /nfs/dbraw/zinc/44/13/87/573441387.db2.gz OKLMGQMPEPLGAF-UHFFFAOYSA-N 1 1 182.610 1.996 10 0 ADAEMO CCc1cc(C[C@H]2CCC[NH2+]C2)n[nH]1 107234714 573441398 /nfs/dbraw/zinc/44/13/98/573441398.db2.gz CAGGUKLHNHWSQO-SECBINFHSA-N 1 1 193.294 1.514 10 0 ADAEMO CC1=C[C@H](C)CC2=NCC[NH2+][C@H]12 238397010 573441448 /nfs/dbraw/zinc/44/14/48/573441448.db2.gz RAKDZGKSAPRPNV-OIBJUYFYSA-N 1 1 164.252 1.385 10 0 ADAEMO C1CO[C@@H](c2onc3c2CC[NH2+]C3)C1 107235000 573441498 /nfs/dbraw/zinc/44/14/98/573441498.db2.gz TXISKRKXTYNVGQ-SECBINFHSA-N 1 1 194.234 1.172 10 0 ADAEMO C[C@]1(O)CC[N@H+]2CCCC[C@H]2C1 258652145 573441547 /nfs/dbraw/zinc/44/15/47/573441547.db2.gz ZNPKQNSVEXLERO-UWVGGRQHSA-N 1 1 169.268 1.386 10 0 ADAEMO CCc1cn2c([nH+]1)C[C@@H](CO)CC2 258652212 573441583 /nfs/dbraw/zinc/44/15/83/573441583.db2.gz WYYKCMXSOMRVGJ-QMMMGPOBSA-N 1 1 180.251 1.000 10 0 ADAEMO O=C1CCC[N@H+](C2CCOCC2)CC1 257813625 573441588 /nfs/dbraw/zinc/44/15/88/573441588.db2.gz CGDJVSPTAFFMSO-UHFFFAOYSA-N 1 1 197.278 1.220 10 0 ADAEMO CC[C@H](F)C[N@@H+](CCO)C1CCC1 308390523 573444847 /nfs/dbraw/zinc/44/48/47/573444847.db2.gz ZFETUOQLCPGMHB-VIFPVBQESA-N 1 1 189.274 1.581 10 0 ADAEMO CCOC(=O)[C@]1(C)CC[N@@H+](CC)C1 308390050 573442419 /nfs/dbraw/zinc/44/24/19/573442419.db2.gz ZAACRIJXMNFCKJ-SNVBAGLBSA-N 1 1 185.267 1.281 10 0 ADAEMO CC[C@@]1([C@H]2CCCCN2)CCC[NH2+]1 258355532 573442422 /nfs/dbraw/zinc/44/24/22/573442422.db2.gz YWAVZUFTSIBNDP-MNOVXSKESA-N 1 1 182.311 1.661 10 0 ADAEMO Cc1ccc(NCC2(CO)CC2)[nH+]c1 118907546 573442463 /nfs/dbraw/zinc/44/24/63/573442463.db2.gz GSVPVHUJRGLSMH-UHFFFAOYSA-N 1 1 192.262 1.574 10 0 ADAEMO C[N@H+]1CCC[C@@H](C2=NC(=O)CS2)C1 259451255 573443026 /nfs/dbraw/zinc/44/30/26/573443026.db2.gz XUIKBMPKETWWSM-SSDOTTSWSA-N 1 1 198.291 1.658 10 0 ADAEMO C[N@H+]1CC[C@](F)(c2ccc(O)cc2)C1 257813657 573443028 /nfs/dbraw/zinc/44/30/28/573443028.db2.gz CHNYBDHEWXCIEJ-LLVKDONJSA-N 1 1 195.237 1.893 10 0 ADAEMO Cc1cccc([C@H](N)C2C[NH2+]C2)c1 259102911 573442466 /nfs/dbraw/zinc/44/24/66/573442466.db2.gz BAIDIYSLZQJBIC-NSHDSACASA-N 1 1 176.263 1.214 10 0 ADAEMO CCc1cc(C[C@@H]2CCCC[NH2+]2)n[nH]1 107234727 573442485 /nfs/dbraw/zinc/44/24/85/573442485.db2.gz PIRQXLANZCUXLP-JTQLQIEISA-N 1 1 193.294 1.657 10 0 ADAEMO CCc1ccc(C[NH2+]CCN)s1 50523102 573442571 /nfs/dbraw/zinc/44/25/71/573442571.db2.gz RPZLEFBFGQIZFW-UHFFFAOYSA-N 1 1 184.308 1.359 10 0 ADAEMO CN(C)CC[C@]1(C)[NH2+]C(C)(C)CO1 258355462 573442723 /nfs/dbraw/zinc/44/27/23/573442723.db2.gz FZTGENJBGJWAET-SNVBAGLBSA-N 1 1 186.299 1.053 10 0 ADAEMO CCn1ccnc1NC(C)(C)CC[NH3+] 126242997 573442952 /nfs/dbraw/zinc/44/29/52/573442952.db2.gz 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ADAEMO Cc1nc2c(c(OC(C)C)n1)C[NH2+]C2 257817225 573451002 /nfs/dbraw/zinc/45/10/02/573451002.db2.gz DRVWQXGTWTZFGS-UHFFFAOYSA-N 1 1 193.250 1.175 10 0 ADAEMO CC(C)[C@H]1CCC[N@H+]1C1(CN)CCC1 86475262 573451052 /nfs/dbraw/zinc/45/10/52/573451052.db2.gz QPLLJJNKUXVCBY-LLVKDONJSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1CC[C@@H](C)[N@H+](C2(CN)CCC2)C1 86475259 573451076 /nfs/dbraw/zinc/45/10/76/573451076.db2.gz UCRUQBGCZUZUPK-GHMZBOCLSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCC[N@@H+]1C[C@H](NC)CC1(C)C 259452129 573451129 /nfs/dbraw/zinc/45/11/29/573451129.db2.gz PJOPYCIRLDWNKL-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCCC[N@H+]1C[C@H](NC)CC1(C)C 259452129 573451132 /nfs/dbraw/zinc/45/11/32/573451132.db2.gz PJOPYCIRLDWNKL-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1[C@@H](C)ON 259452164 573451386 /nfs/dbraw/zinc/45/13/86/573451386.db2.gz MCOOHCWUWDBRDQ-RKDXNWHRSA-N 1 1 172.272 1.140 10 0 ADAEMO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCN(C)C1 308589307 573451540 /nfs/dbraw/zinc/45/15/40/573451540.db2.gz JPDNCIZOBWFPLZ-QJPTWQEYSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[C@H]1CCC[N@H+]1C1(CN)CCC1 86475006 573451548 /nfs/dbraw/zinc/45/15/48/573451548.db2.gz RFHLTHORIAORBP-JTQLQIEISA-N 1 1 182.311 1.742 10 0 ADAEMO COC(=O)C/C=C\[C@H]1CCCC[N@H+]1C 258352322 573451557 /nfs/dbraw/zinc/45/15/57/573451557.db2.gz YPOSBFQBNZHIJD-ONRRBMGISA-N 1 1 197.278 1.590 10 0 ADAEMO C[NH2+][C@H](c1ccc(F)cc1)[C@H](C)N 259449573 573451606 /nfs/dbraw/zinc/45/16/06/573451606.db2.gz NZUMCYMEAUMGNG-XVKPBYJWSA-N 1 1 182.242 1.433 10 0 ADAEMO C[C@H](F)c1c[nH+]c2ccc(N)cn12 107256633 573452283 /nfs/dbraw/zinc/45/22/83/573452283.db2.gz SAHUXPKJMDVZLU-LURJTMIESA-N 1 1 179.198 1.947 10 0 ADAEMO Cc1ccc(C[C@](C)(N)C[NH3+])cc1 142575484 573452339 /nfs/dbraw/zinc/45/23/39/573452339.db2.gz QAAJHQPLWCYIOU-NSHDSACASA-N 1 1 178.279 1.214 10 0 ADAEMO CC(=O)C(F)(F)C[C@H]1CC[N@H+](C)C1 257817212 573452449 /nfs/dbraw/zinc/45/24/49/573452449.db2.gz DRGUXSHYIATKQQ-MRVPVSSYSA-N 1 1 191.221 1.553 10 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DNFQPXRNYIQYKH-KOLCDFICSA-N 1 1 192.262 1.002 10 0 ADAEMO CCC[C@@H](C)CC[NH+]1CCNCC1 83257072 573452876 /nfs/dbraw/zinc/45/28/76/573452876.db2.gz FSBRBZLRFAVJNX-LLVKDONJSA-N 1 1 184.327 1.718 10 0 ADAEMO CN[C@H]([NH3+])c1cc(C)cc(C)c1OC 259454935 573452905 /nfs/dbraw/zinc/45/29/05/573452905.db2.gz QPINOPAAFCKNPC-NSHDSACASA-N 1 1 194.278 1.489 10 0 ADAEMO C[C@H]1CCCC[N@@H+]1C[C@H](F)CN 107257793 573453044 /nfs/dbraw/zinc/45/30/44/573453044.db2.gz ARNUCGDWZGHCNS-DTWKUNHWSA-N 1 1 174.263 1.158 10 0 ADAEMO C[C@H]1CCCC[N@H+]1C[C@H](F)CN 107257793 573453049 /nfs/dbraw/zinc/45/30/49/573453049.db2.gz ARNUCGDWZGHCNS-DTWKUNHWSA-N 1 1 174.263 1.158 10 0 ADAEMO C[N@@H+](C1CCCC1)C1(CN)CCC1 86474948 573453052 /nfs/dbraw/zinc/45/30/52/573453052.db2.gz MIRVCKGHLFXZAU-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CCCC(C)(C)[NH2+][C@@H](C)C(=O)OC 126268794 573453093 /nfs/dbraw/zinc/45/30/93/573453093.db2.gz ZUBBSGCZPOFECK-QMMMGPOBSA-N 1 1 187.283 1.716 10 0 ADAEMO COc1ccc(OC)c([C@@H]([NH3+])OC)c1 259456230 573453112 /nfs/dbraw/zinc/45/31/12/573453112.db2.gz OMDMGJLIGHSGPW-JTQLQIEISA-N 1 1 197.234 1.308 10 0 ADAEMO CCC[NH2+][C@]1(C(=O)OC)C[C@H](C)[C@H]1C 308590978 573453148 /nfs/dbraw/zinc/45/31/48/573453148.db2.gz VJSFBVRHRIDCKS-IQJOONFLSA-N 1 1 199.294 1.574 10 0 ADAEMO N[C@@H](c1ccc(O)cc1)[C@H]1CC[NH2+]C1 257816774 573453260 /nfs/dbraw/zinc/45/32/60/573453260.db2.gz DNFQPXRNYIQYKH-ONGXEEELSA-N 1 1 192.262 1.002 10 0 ADAEMO C[C@H]([NH3+])[C@@](C)(F)[C@H]1CCC[N@@H+](C)C1 257817694 573455570 /nfs/dbraw/zinc/45/55/70/573455570.db2.gz DWRAEYSOTFHRFR-LPEHRKFASA-N 1 1 188.290 1.404 10 0 ADAEMO N[C@H](c1ccc(O)cc1)[C@H]1CC[NH2+]C1 257816771 573454251 /nfs/dbraw/zinc/45/42/51/573454251.db2.gz DNFQPXRNYIQYKH-GXSJLCMTSA-N 1 1 192.262 1.002 10 0 ADAEMO C[C@@H](F)c1c[nH+]c2ccc(N)cn12 107256634 573454267 /nfs/dbraw/zinc/45/42/67/573454267.db2.gz SAHUXPKJMDVZLU-ZCFIWIBFSA-N 1 1 179.198 1.947 10 0 ADAEMO C[C@@H]1C[NH2+][C@@](C)(c2ccccn2)OC1 258361006 573454309 /nfs/dbraw/zinc/45/43/09/573454309.db2.gz GGGJFTFJMZCJGG-MWLCHTKSSA-N 1 1 192.262 1.510 10 0 ADAEMO C[NH2+]CC[C@@H](N)c1ccc(C)cc1 259454936 573454349 /nfs/dbraw/zinc/45/43/49/573454349.db2.gz QPMZHJGMDYSQRQ-LLVKDONJSA-N 1 1 178.279 1.604 10 0 ADAEMO CC(=O)C(F)(F)C[C@@H]1CC[N@H+](C)C1 257817214 573454358 /nfs/dbraw/zinc/45/43/58/573454358.db2.gz DRGUXSHYIATKQQ-QMMMGPOBSA-N 1 1 191.221 1.553 10 0 ADAEMO CC[C@]1(C)C[NH2+]CC[C@H]1N(C)C 142551408 573454406 /nfs/dbraw/zinc/45/44/06/573454406.db2.gz ZOHCCEOISYCJEH-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@]1(C)C[NH2+]CC[C@@H]1N(C)C 142550987 573454873 /nfs/dbraw/zinc/45/48/73/573454873.db2.gz ZOHCCEOISYCJEH-VHSXEESVSA-N 1 1 170.300 1.326 10 0 ADAEMO CCC[N@H+]1C[C@@H](CCO)CC1(C)C 259453857 573455388 /nfs/dbraw/zinc/45/53/88/573455388.db2.gz PKTPMMOPDSBLCN-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@@H]1C[NH2+]CC(F)(F)C1 107262977 573455415 /nfs/dbraw/zinc/45/54/15/573455415.db2.gz LHQXVTMGZVGJMU-YFKPBYRVSA-N 1 1 135.157 1.251 10 0 ADAEMO C[C@@H]1CN[C@@](C)(C[C@@H]2CCC[N@H+]2C)O1 258364239 573455426 /nfs/dbraw/zinc/45/54/26/573455426.db2.gz GLHWTLCSWOWGLO-OUAUKWLOSA-N 1 1 198.310 1.195 10 0 ADAEMO CC(C)C[N@H+]1CCCCC[C@@H]1CN 124392356 573455438 /nfs/dbraw/zinc/45/54/38/573455438.db2.gz WZERSNDBMGLRSG-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H]1CNCC[N@H+]1[C@@H](C)C1CCC1 124400233 573455492 /nfs/dbraw/zinc/45/54/92/573455492.db2.gz IBNULNPQJCHLAG-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CCn2cnc(C[NH+](C)C)c2C1 258361019 573455622 /nfs/dbraw/zinc/45/56/22/573455622.db2.gz RPBGKXCGGJMTQD-SECBINFHSA-N 1 1 193.294 1.527 10 0 ADAEMO C[C@H]1CCn2cnc(C[NH+](C)C)c2C1 258361023 573455656 /nfs/dbraw/zinc/45/56/56/573455656.db2.gz RPBGKXCGGJMTQD-VIFPVBQESA-N 1 1 193.294 1.527 10 0 ADAEMO C[C@@H]1CN[C@](C)(C[C@H]2CCC[N@H+]2C)O1 258364235 573455686 /nfs/dbraw/zinc/45/56/86/573455686.db2.gz GLHWTLCSWOWGLO-MXWKQRLJSA-N 1 1 198.310 1.195 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@@H](C)N1C1CCC1 238400897 573455696 /nfs/dbraw/zinc/45/56/96/573455696.db2.gz XJHITDIVFFKTDP-RKDXNWHRSA-N 1 1 168.284 1.221 10 0 ADAEMO CC(C)c1[nH+]cc2n1[C@@H](O)CCC2 258365399 573455738 /nfs/dbraw/zinc/45/57/38/573455738.db2.gz SDTLEZCRAVZOHD-VIFPVBQESA-N 1 1 180.251 1.834 10 0 ADAEMO C[C@@H]1CN[C@@](C)(C[C@H]2CCC[N@H+]2C)O1 258364232 573455755 /nfs/dbraw/zinc/45/57/55/573455755.db2.gz GLHWTLCSWOWGLO-GMTAPVOTSA-N 1 1 198.310 1.195 10 0 ADAEMO CN[C@@H]([NH3+])c1cc(C)cc(C)c1OC 259454932 573456754 /nfs/dbraw/zinc/45/67/54/573456754.db2.gz QPINOPAAFCKNPC-LLVKDONJSA-N 1 1 194.278 1.489 10 0 ADAEMO C[C@H]([NH3+])c1nnc(-c2ccco2)s1 83280170 573455789 /nfs/dbraw/zinc/45/57/89/573455789.db2.gz PISXYKJKOVATDR-YFKPBYRVSA-N 1 1 195.247 1.818 10 0 ADAEMO C[C@@H]1[NH2+][C@H](C)CCC1(F)F 107262991 573456002 /nfs/dbraw/zinc/45/60/02/573456002.db2.gz BDLQJPCJUXEIPG-RITPCOANSA-N 1 1 149.184 1.782 10 0 ADAEMO C[C@H]1C[NH2+]CC(F)(F)C1 107262973 573456016 /nfs/dbraw/zinc/45/60/16/573456016.db2.gz LHQXVTMGZVGJMU-RXMQYKEDSA-N 1 1 135.157 1.251 10 0 ADAEMO COc1ccc(OC)c([C@H]([NH3+])OC)c1 259456231 573456107 /nfs/dbraw/zinc/45/61/07/573456107.db2.gz OMDMGJLIGHSGPW-SNVBAGLBSA-N 1 1 197.234 1.308 10 0 ADAEMO CCC[N@H+]1C[C@H](CCO)CC1(C)C 259453859 573456195 /nfs/dbraw/zinc/45/61/95/573456195.db2.gz PKTPMMOPDSBLCN-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1[C@]1(C)N[C@@H](C)CO1 258364225 573456236 /nfs/dbraw/zinc/45/62/36/573456236.db2.gz GLHWFJXFQDQEPM-HBNTYKKESA-N 1 1 198.310 1.195 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1[C@]1(C)N[C@@H](C)CO1 258364225 573456239 /nfs/dbraw/zinc/45/62/39/573456239.db2.gz GLHWFJXFQDQEPM-HBNTYKKESA-N 1 1 198.310 1.195 10 0 ADAEMO C[C@H]1CCC(F)(F)[C@@H](C)[NH2+]1 107263002 573456273 /nfs/dbraw/zinc/45/62/73/573456273.db2.gz BDLQJPCJUXEIPG-NTSWFWBYSA-N 1 1 149.184 1.782 10 0 ADAEMO C[C@H]1C[NH2+][C@](C)(c2ccccn2)OC1 258361008 573456316 /nfs/dbraw/zinc/45/63/16/573456316.db2.gz GGGJFTFJMZCJGG-ONGXEEELSA-N 1 1 192.262 1.510 10 0 ADAEMO C[C@H]1C[NH2+][C@@](C)(c2ccccn2)OC1 258361001 573456383 /nfs/dbraw/zinc/45/63/83/573456383.db2.gz GGGJFTFJMZCJGG-GXSJLCMTSA-N 1 1 192.262 1.510 10 0 ADAEMO CC[N@H+]1CC[C@H](/C=C\C(=O)OC)C1 258366033 573456402 /nfs/dbraw/zinc/45/64/02/573456402.db2.gz ZSSHBODACRJBBV-WBSSQXGSSA-N 1 1 183.251 1.057 10 0 ADAEMO CCOC(=O)[C@@H](C)[NH2+]CCC1CCC1 130187247 573456410 /nfs/dbraw/zinc/45/64/10/573456410.db2.gz JUTZDEXMZAMHIV-SECBINFHSA-N 1 1 199.294 1.718 10 0 ADAEMO CCCNC[C@]1(F)CCC[NH2+]C1 257813978 573456508 /nfs/dbraw/zinc/45/65/08/573456508.db2.gz CGRKZMNVUOCHFP-SECBINFHSA-N 1 1 174.263 1.078 10 0 ADAEMO NC[C@]12CCC[N@@H+]1Cc1ccccc12 107266530 573456537 /nfs/dbraw/zinc/45/65/37/573456537.db2.gz ZJKHOOUGVAUQCN-LBPRGKRZSA-N 1 1 188.274 1.450 10 0 ADAEMO C[NH+](C)C[C@H](F)c1ccccc1N 107267042 573456724 /nfs/dbraw/zinc/45/67/24/573456724.db2.gz IZOFOSBNRCCPLX-VIFPVBQESA-N 1 1 182.242 1.841 10 0 ADAEMO C[N@H+]1CC[C@H](c2cc(Cl)cnn2)C1 259456925 573456620 /nfs/dbraw/zinc/45/66/20/573456620.db2.gz MMZBKXGSDSDZFI-ZETCQYMHSA-N 1 1 197.669 1.549 10 0 ADAEMO 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/nfs/dbraw/zinc/48/81/83/573488183.db2.gz ASQMZWNOOIHAQU-JTQLQIEISA-N 1 1 181.283 1.088 10 0 ADAEMO CCOC(=O)C1([NH+]2CCCCC2)CC1 238251504 573488258 /nfs/dbraw/zinc/48/82/58/573488258.db2.gz VTMGQIGZNWYULX-UHFFFAOYSA-N 1 1 197.278 1.568 10 0 ADAEMO [NH3+][C@@H]1CCc2n[nH]c(C3CC3)c21 107297587 573488291 /nfs/dbraw/zinc/48/82/91/573488291.db2.gz ZSFCCIHZLJYYLL-ZCFIWIBFSA-N 1 1 163.224 1.233 10 0 ADAEMO CN1CCC[C@H]([NH2+]CC2CCC2)CC1 83418030 573488316 /nfs/dbraw/zinc/48/83/16/573488316.db2.gz JBLJVLMADGOQAD-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]1CCC[C@@]2(C1)NC[C@@H](C)[NH2+]2 238416784 573488385 /nfs/dbraw/zinc/48/83/85/573488385.db2.gz OWKNQRWVKQUQGI-OPRDCNLKSA-N 1 1 168.284 1.474 10 0 ADAEMO Cc1c([C@H]2[NH2+]C[C@H](C)S2)cnn1C 86552913 573488394 /nfs/dbraw/zinc/48/83/94/573488394.db2.gz VHCUSUSGJKIJJF-RCOVLWMOSA-N 1 1 197.307 1.452 10 0 ADAEMO C[N@H+]1CCc2cc(CCO)ccc2C1 257820031 573488491 /nfs/dbraw/zinc/48/84/91/573488491.db2.gz FNWOKPUYOXSNPY-UHFFFAOYSA-N 1 1 191.274 1.209 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184.327 1.859 10 0 ADAEMO C[C@H](C[NH+](C)C)NCc1cccn1C 130210963 573491575 /nfs/dbraw/zinc/49/15/75/573491575.db2.gz IHZLWKKVJXHPBF-SNVBAGLBSA-N 1 1 195.310 1.065 10 0 ADAEMO C[C@H]([NH2+][C@@H]1CCCN(C)CC1)C1CC1 83418106 573491586 /nfs/dbraw/zinc/49/15/86/573491586.db2.gz ITSLEPOXJZFOLF-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO C[N@@H+]1CCC[C@@H]([C@H]2NCC(C)(C)O2)C1 258690304 573491647 /nfs/dbraw/zinc/49/16/47/573491647.db2.gz UEUYCWXZANZJMA-ZJUUUORDSA-N 1 1 198.310 1.053 10 0 ADAEMO C[N@H+]1CCC[C@@H]([C@H]2NCC(C)(C)O2)C1 258690304 573491650 /nfs/dbraw/zinc/49/16/50/573491650.db2.gz UEUYCWXZANZJMA-ZJUUUORDSA-N 1 1 198.310 1.053 10 0 ADAEMO CC[NH2+][C@H](CN)c1ccc(F)c(C)c1 50558701 573491683 /nfs/dbraw/zinc/49/16/83/573491683.db2.gz NWRDKHXKWLSBIF-LLVKDONJSA-N 1 1 196.269 1.743 10 0 ADAEMO CN1CCC[C@H]([NH2+][C@H]2CC2(C)C)CC1 83418686 573491839 /nfs/dbraw/zinc/49/18/39/573491839.db2.gz BOQYEKRUTYAULL-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CN1CCC[C@@H]([NH2+][C@H]2CC2(C)C)CC1 83418683 573491856 /nfs/dbraw/zinc/49/18/56/573491856.db2.gz BOQYEKRUTYAULL-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO CC[NH2+]Cc1nc2cccc(C)n2n1 259472810 573491871 /nfs/dbraw/zinc/49/18/71/573491871.db2.gz MBHQCSCNZYCTFA-UHFFFAOYSA-N 1 1 190.250 1.147 10 0 ADAEMO CC1(C)CC[NH2+]CCC[N@H+]1C1CC1 259472472 573491885 /nfs/dbraw/zinc/49/18/85/573491885.db2.gz QWROQIWMRSSKBM-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO Cc1cccc2nc([C@@H]([NH3+])CO)oc12 86556773 573491887 /nfs/dbraw/zinc/49/18/87/573491887.db2.gz PYBDKTFTAHZWQS-ZETCQYMHSA-N 1 1 192.218 1.128 10 0 ADAEMO Cc1c([C@H]2[NH2+][C@H](C)CS2)cnn1C 86552917 573492074 /nfs/dbraw/zinc/49/20/74/573492074.db2.gz DCFJIRSDRJBQNF-MUWHJKNJSA-N 1 1 197.307 1.452 10 0 ADAEMO C[NH2+]CC[C@H](N)c1cccc(C)c1 259472544 573492075 /nfs/dbraw/zinc/49/20/75/573492075.db2.gz RVWBLTMCNJHULI-NSHDSACASA-N 1 1 178.279 1.604 10 0 ADAEMO Cc1c([C@H]2[NH2+][C@@H](C)CS2)cnn1C 86552919 573492135 /nfs/dbraw/zinc/49/21/35/573492135.db2.gz DCFJIRSDRJBQNF-RCOVLWMOSA-N 1 1 197.307 1.452 10 0 ADAEMO CC[N@H+]1C[C@H](N)CCC1(C)C 258685575 573492157 /nfs/dbraw/zinc/49/21/57/573492157.db2.gz GGPNDQBIONKAFG-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CCN1C[C@H]([NH3+])CCC1(C)C 258685575 573492164 /nfs/dbraw/zinc/49/21/64/573492164.db2.gz GGPNDQBIONKAFG-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO C/C=C\CC[NH2+][C@@H](CC)C(=O)OCC 308394409 573492480 /nfs/dbraw/zinc/49/24/80/573492480.db2.gz UOMKVDYRGUAASD-VAWSOJLPSA-N 1 1 199.294 1.884 10 0 ADAEMO C[N@H+]1CCCC[C@H]1/C=C\CCO 258043928 573492514 /nfs/dbraw/zinc/49/25/14/573492514.db2.gz CSHXZNHERBYBPW-NXSJDDFASA-N 1 1 169.268 1.409 10 0 ADAEMO C[NH2+][C@@H]1CCCc2[nH]nc(C)c21 107298367 573492598 /nfs/dbraw/zinc/49/25/98/573492598.db2.gz WLXGMENPYSFLMX-SSDOTTSWSA-N 1 1 165.240 1.315 10 0 ADAEMO C[N@@H+]1CCC[C@H]([C@H]2NCC(C)(C)O2)C1 258690276 573492643 /nfs/dbraw/zinc/49/26/43/573492643.db2.gz UEUYCWXZANZJMA-UWVGGRQHSA-N 1 1 198.310 1.053 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@H]2NCC(C)(C)O2)C1 258690276 573492652 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1.053 10 0 ADAEMO CC(C)[N@H+]1Cc2c([nH]oc2=O)[C@H]1C 107229365 573493145 /nfs/dbraw/zinc/49/31/45/573493145.db2.gz RLKPWFNBFKPSQL-ZCFIWIBFSA-N 1 1 182.223 1.253 10 0 ADAEMO C[N@H+]1CCC[C@@H](CCC2(O)CC2)C1 258041784 573493177 /nfs/dbraw/zinc/49/31/77/573493177.db2.gz ONGWESFOTHVSRL-JTQLQIEISA-N 1 1 183.295 1.633 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1/C=C\CCO 258043931 573493263 /nfs/dbraw/zinc/49/32/63/573493263.db2.gz CSHXZNHERBYBPW-WXGCRTCVSA-N 1 1 169.268 1.409 10 0 ADAEMO C[N@@H+]1C[C@@H]2c3ccccc3NC[C@@H]2C1 258042014 573493292 /nfs/dbraw/zinc/49/32/92/573493292.db2.gz QIPAWLZWKFRELB-KOLCDFICSA-N 1 1 188.274 1.757 10 0 ADAEMO C[C@H]1CCN(CC2CC2)C[C@@H]1[NH3+] 78481494 573493357 /nfs/dbraw/zinc/49/33/57/573493357.db2.gz VWSKNVJIFPNEBK-WPRPVWTQSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@H]1CC[N@H+](CC2CC2)C[C@@H]1N 78481494 573493359 /nfs/dbraw/zinc/49/33/59/573493359.db2.gz VWSKNVJIFPNEBK-WPRPVWTQSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1N 78481494 573493364 /nfs/dbraw/zinc/49/33/64/573493364.db2.gz VWSKNVJIFPNEBK-WPRPVWTQSA-N 1 1 168.284 1.066 10 0 ADAEMO C[NH+](C)[C@H](O)c1cccs1 259469980 573493376 /nfs/dbraw/zinc/49/33/76/573493376.db2.gz KCKSKAIUMDOPMZ-SSDOTTSWSA-N 1 1 157.238 1.301 10 0 ADAEMO C/C=C\CC[NH2+][C@@H](CN)c1ccoc1 308394002 573493436 /nfs/dbraw/zinc/49/34/36/573493436.db2.gz UKYIWGOMVQYYKC-QUCGXOGASA-N 1 1 194.278 1.835 10 0 ADAEMO CC[C@H](O)[C@H](C)[N@H+]1CC[C@H](F)C1 689812661 573494769 /nfs/dbraw/zinc/49/47/69/573494769.db2.gz BBYAPOHWYKXKEO-CIUDSAMLSA-N 1 1 175.247 1.190 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](CCCON)C1 258041971 573494777 /nfs/dbraw/zinc/49/47/77/573494777.db2.gz TUGZARSMWAUZND-JTQLQIEISA-N 1 1 186.299 1.387 10 0 ADAEMO CC[N@H+]1CCC[C@H](O)C1(C)C 258685560 573494795 /nfs/dbraw/zinc/49/47/95/573494795.db2.gz GGKSXXFFPAAJNU-QMMMGPOBSA-N 1 1 157.257 1.242 10 0 ADAEMO C[C@@H]1CCc2c(N)[nH+]cn2C1 107310276 573495077 /nfs/dbraw/zinc/49/50/77/573495077.db2.gz VRKNAWMCUQWJKE-ZCFIWIBFSA-N 1 1 151.213 1.048 10 0 ADAEMO 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/nfs/dbraw/zinc/50/24/55/573502455.db2.gz TTXQWKNSZBNVHB-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CCCC[C@@H]1[C@@H](N)CC[N@H+]1C 83428434 573502461 /nfs/dbraw/zinc/50/24/61/573502461.db2.gz TTXQWKNSZBNVHB-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CO[C@H](C)[C@H](C)[N@@H+](C)CC(C)(C)O 308398877 573502476 /nfs/dbraw/zinc/50/24/76/573502476.db2.gz GDBIXBHUAFJQBN-DTWKUNHWSA-N 1 1 189.299 1.113 10 0 ADAEMO Nc1[nH+]cn2cccc(Cl)c12 107318125 573502494 /nfs/dbraw/zinc/50/24/94/573502494.db2.gz NOOOQXORXHSPCS-UHFFFAOYSA-N 1 1 167.599 1.570 10 0 ADAEMO C[C@H]1C[NH2+][C@@H]1c1ccc2nc[nH]c2c1 259110068 573502528 /nfs/dbraw/zinc/50/25/28/573502528.db2.gz HZVUYGGFNIVUNO-CPCISQLKSA-N 1 1 187.246 1.843 10 0 ADAEMO C[C@@H]1C[NH2+][C@H]1c1ccc2nc[nH]c2c1 259110074 573502606 /nfs/dbraw/zinc/50/26/06/573502606.db2.gz HZVUYGGFNIVUNO-RDDDGLTNSA-N 1 1 187.246 1.843 10 0 ADAEMO CO[C@@H](C)[C@H](C)[N@@H+](C)CC(C)(C)O 308398878 573502631 /nfs/dbraw/zinc/50/26/31/573502631.db2.gz GDBIXBHUAFJQBN-IUCAKERBSA-N 1 1 189.299 1.113 10 0 ADAEMO C[NH2+][C@H](C(C)(C)C)C1(N)CC1 259109388 573503751 /nfs/dbraw/zinc/50/37/51/573503751.db2.gz FQNMBKBCHXCQED-SSDOTTSWSA-N 1 1 156.273 1.112 10 0 ADAEMO C[N@@H+]1CCC[C@@]1(CN)c1cccs1 258713276 573503804 /nfs/dbraw/zinc/50/38/04/573503804.db2.gz NVQSCRKOWBVXRF-SNVBAGLBSA-N 1 1 196.319 1.628 10 0 ADAEMO CC1(C)CCC[C@]([NH3+])(CN)CC1 83436010 573503758 /nfs/dbraw/zinc/50/37/58/573503758.db2.gz BLKBJFWSTGAJTI-SNVBAGLBSA-N 1 1 170.300 1.633 10 0 ADAEMO CC(C)(C)[C@H](N)[C@@H]1CCCC[NH2+]1 259480990 573503780 /nfs/dbraw/zinc/50/37/80/573503780.db2.gz SIMGUDSYHZLRMO-DTWKUNHWSA-N 1 1 170.300 1.502 10 0 ADAEMO C[N@H+]1CCC[C@@]1(CN)c1cccs1 258713276 573503808 /nfs/dbraw/zinc/50/38/08/573503808.db2.gz NVQSCRKOWBVXRF-SNVBAGLBSA-N 1 1 196.319 1.628 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCCC(=O)C1 86599942 573503861 /nfs/dbraw/zinc/50/38/61/573503861.db2.gz VESQAPLGBRRJEL-SECBINFHSA-N 1 1 167.252 1.592 10 0 ADAEMO CC1(C)C[C@@H](NCC2CCCC2)C[NH2+]1 258714300 573503915 /nfs/dbraw/zinc/50/39/15/573503915.db2.gz GCIVLIRGYGQGDT-LLVKDONJSA-N 1 1 196.338 1.907 10 0 ADAEMO FCC[NH2+]Cc1cncn1C1CC1 393585609 573503929 /nfs/dbraw/zinc/50/39/29/573503929.db2.gz REGDZRQVUCQPRY-UHFFFAOYSA-N 1 1 183.230 1.277 10 0 ADAEMO CC(C)C[C@@]1(CN)CCCC[N@H+]1C 258709613 573503966 /nfs/dbraw/zinc/50/39/66/573503966.db2.gz NNZYTBKYPMEAAJ-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)C[C@@]1(C[NH3+])CCCCN1C 258709613 573503971 /nfs/dbraw/zinc/50/39/71/573503971.db2.gz NNZYTBKYPMEAAJ-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCCC(=O)C1 86599934 573503998 /nfs/dbraw/zinc/50/39/98/573503998.db2.gz IGKPTHPDDVNMRA-MRVPVSSYSA-N 1 1 155.241 1.450 10 0 ADAEMO CC(C)C[C@]1(CN)CCCC[N@H+]1C 258709619 573504021 /nfs/dbraw/zinc/50/40/21/573504021.db2.gz NNZYTBKYPMEAAJ-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)C[C@]1(C[NH3+])CCCCN1C 258709619 573504027 /nfs/dbraw/zinc/50/40/27/573504027.db2.gz NNZYTBKYPMEAAJ-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+][C@@H]1CCC[C@H]([N@@H+](C)CC2CC2)C1 86599533 573504037 /nfs/dbraw/zinc/50/40/37/573504037.db2.gz RVMFAZXLFUFBDO-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1COCC[N@H+]1[C@@H]1CCCC(=O)C1 86600019 573504069 /nfs/dbraw/zinc/50/40/69/573504069.db2.gz FCUCDWOPPIFXAP-VHSXEESVSA-N 1 1 197.278 1.219 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H]2CCCC(=O)C2)C1 86600191 573504088 /nfs/dbraw/zinc/50/40/88/573504088.db2.gz IDBKKJDUBCCKCR-VHSXEESVSA-N 1 1 181.279 1.840 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@H]2NCC(C)(C)O2)C1 258709144 573504112 /nfs/dbraw/zinc/50/41/12/573504112.db2.gz UVXKQUKDYYUSSB-UWVGGRQHSA-N 1 1 198.310 1.053 10 0 ADAEMO C[C@@H]1NCC[C@@H]2CCCC[N@H+]21 238419125 573504166 /nfs/dbraw/zinc/50/41/66/573504166.db2.gz CALBXQZBTPPTRJ-BDAKNGLRSA-N 1 1 154.257 1.180 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@@H]2CCCCN21 238419125 573504172 /nfs/dbraw/zinc/50/41/72/573504172.db2.gz CALBXQZBTPPTRJ-BDAKNGLRSA-N 1 1 154.257 1.180 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCC(=O)C1 86599944 573504272 /nfs/dbraw/zinc/50/42/72/573504272.db2.gz VESQAPLGBRRJEL-VIFPVBQESA-N 1 1 167.252 1.592 10 0 ADAEMO C[C@@H]1C[NH2+][C@@H]1c1ccc2nc[nH]c2c1 259110071 573504333 /nfs/dbraw/zinc/50/43/33/573504333.db2.gz HZVUYGGFNIVUNO-HQJQHLMTSA-N 1 1 187.246 1.843 10 0 ADAEMO C[N@H+]1CCCC[C@]1(C)c1cc(N)n[nH]1 258048530 573504388 /nfs/dbraw/zinc/50/43/88/573504388.db2.gz JWGRFPDUCQEZKH-SNVBAGLBSA-N 1 1 194.282 1.323 10 0 ADAEMO C/C=C\C[N@@H+]1CCN[C@](C)(C2CC2)C1 308400587 573504448 /nfs/dbraw/zinc/50/44/48/573504448.db2.gz LSOMTINKQDCGHE-MVZIDQBPSA-N 1 1 194.322 1.636 10 0 ADAEMO C/C=C\C[N@H+]1CCN[C@](C)(C2CC2)C1 308400587 573504455 /nfs/dbraw/zinc/50/44/55/573504455.db2.gz LSOMTINKQDCGHE-MVZIDQBPSA-N 1 1 194.322 1.636 10 0 ADAEMO CC(C)[C@@H]1CCC[C@]([NH3+])(CN)CC1 83437694 573504496 /nfs/dbraw/zinc/50/44/96/573504496.db2.gz FDTYQPSHKGECDJ-GHMZBOCLSA-N 1 1 184.327 1.879 10 0 ADAEMO C[N@@H+]1CCC[C@]1(CN)c1cccs1 258713273 573504517 /nfs/dbraw/zinc/50/45/17/573504517.db2.gz NVQSCRKOWBVXRF-JTQLQIEISA-N 1 1 196.319 1.628 10 0 ADAEMO C[N@H+]1CCC[C@]1(CN)c1cccs1 258713273 573504525 /nfs/dbraw/zinc/50/45/25/573504525.db2.gz NVQSCRKOWBVXRF-JTQLQIEISA-N 1 1 196.319 1.628 10 0 ADAEMO CC[N@@H+](C1CC1)[C@H]1CCCC(=O)C1 86599940 573505915 /nfs/dbraw/zinc/50/59/15/573505915.db2.gz HMMGIVHOPKXKQH-JTQLQIEISA-N 1 1 181.279 1.982 10 0 ADAEMO CN1CCC[C@]1(C[NH3+])C(C)(C)C 258713192 573505652 /nfs/dbraw/zinc/50/56/52/573505652.db2.gz NUYXKIFJNQDNII-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H](F)C[N@@H+](CCOC)C1CC1 308396177 573505758 /nfs/dbraw/zinc/50/57/58/573505758.db2.gz DHQCKNSNANJSOT-VIFPVBQESA-N 1 1 189.274 1.845 10 0 ADAEMO O=C1CC[NH+]([C@H]2CCCC(=O)C2)CC1 86600739 573505827 /nfs/dbraw/zinc/50/58/27/573505827.db2.gz WUNPVHPGRHFVBG-VIFPVBQESA-N 1 1 195.262 1.163 10 0 ADAEMO COC1CC([N@@H+](C)CC[C@H](C)F)C1 308396124 573505830 /nfs/dbraw/zinc/50/58/30/573505830.db2.gz DFDAAIVYBMOFEU-IDKOKCKLSA-N 1 1 189.274 1.844 10 0 ADAEMO C[C@]1(c2ccco2)[NH2+]CCO1 258713720 573505838 /nfs/dbraw/zinc/50/58/38/573505838.db2.gz VCKJCALIZKDVDB-QMMMGPOBSA-N 1 1 153.181 1.072 10 0 ADAEMO CNC([NH2+]C)c1ccc(C)c(C)c1 259480169 573505858 /nfs/dbraw/zinc/50/58/58/573505858.db2.gz QQKIYQWETUOOIW-UHFFFAOYSA-N 1 1 178.279 1.741 10 0 ADAEMO CCC(CC)[NH2+][C@@H]1C[C@H](C)OC1=O 308396154 573505869 /nfs/dbraw/zinc/50/58/69/573505869.db2.gz DGSVTNJJFHGVIC-IONNQARKSA-N 1 1 185.267 1.469 10 0 ADAEMO COC1C[C@@H]2CC[C@H](C1)[N@H+]2C 5967172 573506337 /nfs/dbraw/zinc/50/63/37/573506337.db2.gz MBFDHESEJDXGPW-JVHMLUBASA-N 1 1 155.241 1.258 10 0 ADAEMO CC(C)(C)[C@@H](N)[C@@H]1CCCC[NH2+]1 259480991 573506373 /nfs/dbraw/zinc/50/63/73/573506373.db2.gz SIMGUDSYHZLRMO-IUCAKERBSA-N 1 1 170.300 1.502 10 0 ADAEMO CC1(C)CCC[C@@]([NH3+])(CN)CC1 83436011 573507130 /nfs/dbraw/zinc/50/71/30/573507130.db2.gz BLKBJFWSTGAJTI-JTQLQIEISA-N 1 1 170.300 1.633 10 0 ADAEMO CC[C@@H](F)C[N@@H+](CCOC)C1CC1 308396176 573507029 /nfs/dbraw/zinc/50/70/29/573507029.db2.gz DHQCKNSNANJSOT-SECBINFHSA-N 1 1 189.274 1.845 10 0 ADAEMO CC(C)(C)[C@H](N)[C@H]1CCCC[NH2+]1 259480994 573507031 /nfs/dbraw/zinc/50/70/31/573507031.db2.gz SIMGUDSYHZLRMO-RKDXNWHRSA-N 1 1 170.300 1.502 10 0 ADAEMO COC(=O)C(C)(C)C[N@H+]1CCC[C@@H]1C 86594810 573507057 /nfs/dbraw/zinc/50/70/57/573507057.db2.gz VXJIWWAEHJCCGW-VIFPVBQESA-N 1 1 199.294 1.670 10 0 ADAEMO CN(C)[C@@H](c1cc[nH]c1)C(C)(C)C[NH3+] 259479798 573507072 /nfs/dbraw/zinc/50/70/72/573507072.db2.gz KQJIOSHCSPTXQU-JTQLQIEISA-N 1 1 195.310 1.602 10 0 ADAEMO CC[C@@H]1CCC[C@]([NH3+])(CN)CC1 83436006 573507766 /nfs/dbraw/zinc/50/77/66/573507766.db2.gz QXQPCIKRZDZXAV-NXEZZACHSA-N 1 1 170.300 1.633 10 0 ADAEMO CC[C@H](F)C[N@H+]1CC[C@@](O)(CC)C1 308396121 573507498 /nfs/dbraw/zinc/50/74/98/573507498.db2.gz DFADJZAKVGNBKD-UWVGGRQHSA-N 1 1 189.274 1.581 10 0 ADAEMO COC1(OC)CC[N@H+]2CCC[C@H]2C1 206008443 573507514 /nfs/dbraw/zinc/50/75/14/573507514.db2.gz GBUNBYLZWXVSQH-VIFPVBQESA-N 1 1 185.267 1.234 10 0 ADAEMO CCc1cccc(CC)c1C(=O)C[NH3+] 258050494 573507522 /nfs/dbraw/zinc/50/75/22/573507522.db2.gz KQNVLBGHWVOWAH-UHFFFAOYSA-N 1 1 191.274 1.953 10 0 ADAEMO C[C@@H]1CO[C@](C)(c2ccco2)[NH2+]1 258718226 573507608 /nfs/dbraw/zinc/50/76/08/573507608.db2.gz VEAAQZMPBAZRHO-VXNVDRBHSA-N 1 1 167.208 1.461 10 0 ADAEMO C[NH2+][C@H]1CCC[C@H]([N@@H+](C)C(C)C)C1 86599007 573507626 /nfs/dbraw/zinc/50/76/26/573507626.db2.gz NNIKEAZTCKAHQR-QWRGUYRKSA-N 1 1 184.327 1.857 10 0 ADAEMO CC(C)[C@@H]1CCC[C@@]([NH3+])(CN)CC1 83437696 573507695 /nfs/dbraw/zinc/50/76/95/573507695.db2.gz FDTYQPSHKGECDJ-MNOVXSKESA-N 1 1 184.327 1.879 10 0 ADAEMO C[N@H+]1CCC[C@@]1(CN)C(C)(C)C 258713196 573507714 /nfs/dbraw/zinc/50/77/14/573507714.db2.gz NUYXKIFJNQDNII-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CN1CCC[C@@]1(C[NH3+])C(C)(C)C 258713196 573507719 /nfs/dbraw/zinc/50/77/19/573507719.db2.gz NUYXKIFJNQDNII-SNVBAGLBSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCC[NH2+]CC(C)(C)NC 258707262 573507828 /nfs/dbraw/zinc/50/78/28/573507828.db2.gz RYVZGJYIBDDURO-UHFFFAOYSA-N 1 1 172.316 1.764 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H](O)C1 86601625 573511021 /nfs/dbraw/zinc/51/10/21/573511021.db2.gz CSOVRVIOIAUZQY-MXWKQRLJSA-N 1 1 183.295 1.774 10 0 ADAEMO CC(C)[C@H]1C[C@@H](C[NH3+])C[N@H+]1C1CC1 107229650 573511023 /nfs/dbraw/zinc/51/10/23/573511023.db2.gz XINMRWMIANKJPO-GXSJLCMTSA-N 1 1 182.311 1.454 10 0 ADAEMO CC(C)[C@H]1C[C@H](C[NH3+])C[N@H+]1C1CC1 107229645 573509587 /nfs/dbraw/zinc/50/95/87/573509587.db2.gz XINMRWMIANKJPO-MWLCHTKSSA-N 1 1 182.311 1.454 10 0 ADAEMO C[N@H+]1CCC[C@@H](c2cncc(N)c2)C1 259613443 573509605 /nfs/dbraw/zinc/50/96/05/573509605.db2.gz DTDMBHAMRZMDEC-SECBINFHSA-N 1 1 191.278 1.473 10 0 ADAEMO Cc1cc([C@@]2(O)CC[N@H+](C)C2)cs1 83447587 573509709 /nfs/dbraw/zinc/50/97/09/573509709.db2.gz FJMBNZDDUJTIIP-SNVBAGLBSA-N 1 1 197.303 1.580 10 0 ADAEMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)ON 259481569 573511863 /nfs/dbraw/zinc/51/18/63/573511863.db2.gz OSEJWXSNICIYPD-IUCAKERBSA-N 1 1 172.272 1.140 10 0 ADAEMO C[C@@H](N)C[NH2+]CC(C)(C)C1CCC1 258721092 573509824 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151.213 1.136 10 0 ADAEMO CC(C)(C)CN[C@@H]1C[NH2+]C(C)(C)C1 258730688 573517947 /nfs/dbraw/zinc/51/79/47/573517947.db2.gz HFSLFYOXAUAZFJ-VIFPVBQESA-N 1 1 184.327 1.763 10 0 ADAEMO CC[N@@H+](C(C)C)[C@H]1CCC(=O)C1 86617841 573517989 /nfs/dbraw/zinc/51/79/89/573517989.db2.gz YEBBTSICUAMSFE-VIFPVBQESA-N 1 1 169.268 1.838 10 0 ADAEMO Nc1ccc(N2C[C@H](F)[C@@H](F)C2)[nH+]c1 714707660 573517992 /nfs/dbraw/zinc/51/79/92/573517992.db2.gz LFGSFPSLLKSQEV-YUMQZZPRSA-N 1 1 199.204 1.160 10 0 ADAEMO Cc1cccc(C[NH2+]C(C)(C)CN)c1 258741123 573518021 /nfs/dbraw/zinc/51/80/21/573518021.db2.gz FUTVDYWNNZFEHI-UHFFFAOYSA-N 1 1 192.306 1.822 10 0 ADAEMO [NH3+]C1(CCc2cnc3n2CCC3)CC1 257822510 573518053 /nfs/dbraw/zinc/51/80/53/573518053.db2.gz GHFKLYQQLZTSEM-UHFFFAOYSA-N 1 1 191.278 1.253 10 0 ADAEMO CC[C@](C)(O)CNc1[nH+]cccc1N 83461688 573518128 /nfs/dbraw/zinc/51/81/28/573518128.db2.gz GGKIAMPZQWWCIC-JTQLQIEISA-N 1 1 195.266 1.237 10 0 ADAEMO CCc1[nH+]ccn1[C@H]1CCC(=O)C1 86618874 573518182 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573518643 /nfs/dbraw/zinc/51/86/43/573518643.db2.gz GXDIOMZPZAGSHT-JTQLQIEISA-N 1 1 195.266 1.237 10 0 ADAEMO CCC[N@@H+](C)[C@H]1CC[C@H](O)C1 86620334 573528575 /nfs/dbraw/zinc/52/85/75/573528575.db2.gz XHGXJJKQTBQNIK-IUCAKERBSA-N 1 1 157.257 1.242 10 0 ADAEMO CC[N@@H+](C(C)C)[C@@H]1CCC(=O)C1 86617840 573520443 /nfs/dbraw/zinc/52/04/43/573520443.db2.gz YEBBTSICUAMSFE-SECBINFHSA-N 1 1 169.268 1.838 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CCC(=O)C2)C1 86617922 573519879 /nfs/dbraw/zinc/51/98/79/573519879.db2.gz IONRHZLUNFFBRH-RKDXNWHRSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H](O)[C@H]1CC[N@H+]2CCCC[C@@H]12 238424318 573519890 /nfs/dbraw/zinc/51/98/90/573519890.db2.gz GRJZJCZYBKZAQR-AEJSXWLSSA-N 1 1 169.268 1.242 10 0 ADAEMO C[N@@H+](Cc1ccoc1)[C@@H]1CCC(=O)C1 86618178 573519984 /nfs/dbraw/zinc/51/99/84/573519984.db2.gz OBPGQLHLMOREBH-SNVBAGLBSA-N 1 1 193.246 1.833 10 0 ADAEMO C[NH2+]CCNCC(C)(C)CC(C)C 258739944 573520032 /nfs/dbraw/zinc/52/00/32/573520032.db2.gz KVOUGHQCGXVQOP-UHFFFAOYSA-N 1 1 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/nfs/dbraw/zinc/52/03/48/573520348.db2.gz BMPFFKVCIGUEFC-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CCC[N@@H+](CCNC2CC2)[C@@H]1C 50564280 573520356 /nfs/dbraw/zinc/52/03/56/573520356.db2.gz BMPFFKVCIGUEFC-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[N@@H+](C1CCCC1)[C@H]1CCC(=O)C1 86617845 573520368 /nfs/dbraw/zinc/52/03/68/573520368.db2.gz VYMYRBCUYADNPY-JTQLQIEISA-N 1 1 181.279 1.982 10 0 ADAEMO CC[C@H]1CCC[N@H+]1[C@@H]1CCC(=O)C1 86617915 573520485 /nfs/dbraw/zinc/52/04/85/573520485.db2.gz KAQGGLJTTMUEOG-VHSXEESVSA-N 1 1 181.279 1.982 10 0 ADAEMO CC1(C)CN[C@@](C)([C@@H]2CCC[NH2+]C2)O1 258731174 573520523 /nfs/dbraw/zinc/52/05/23/573520523.db2.gz VSOKUXASVGYZLF-MWLCHTKSSA-N 1 1 198.310 1.101 10 0 ADAEMO COCC[C@@H](C)[NH2+][C@@H](C)c1ncon1 308602826 573520537 /nfs/dbraw/zinc/52/05/37/573520537.db2.gz OTNSLYIETZMBBX-SFYZADRCSA-N 1 1 199.254 1.145 10 0 ADAEMO Cc1[nH+]cn([C@@H]2CCC(=O)C2)c1C 86619167 573520697 /nfs/dbraw/zinc/52/06/97/573520697.db2.gz QAPHWWTZPSPZJV-SECBINFHSA-N 1 1 178.235 1.794 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)C2)[C@H](C)CO1 86617872 573520758 /nfs/dbraw/zinc/52/07/58/573520758.db2.gz SSVXLFQIWMTBOV-OPRDCNLKSA-N 1 1 197.278 1.217 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1cc(N)cnn1 259485482 573520781 /nfs/dbraw/zinc/52/07/81/573520781.db2.gz PJULKUQOKKJCEG-JTQLQIEISA-N 1 1 192.266 1.216 10 0 ADAEMO CC(C)[C@H](CO)[N@@H+](C)Cc1ccc[nH]1 258734914 573520869 /nfs/dbraw/zinc/52/08/69/573520869.db2.gz FGKACCXPIQQDDE-NSHDSACASA-N 1 1 196.294 1.463 10 0 ADAEMO C[C@H](O)[C@H]1CCCC[N@@H+](C)CCC1 238423944 573520903 /nfs/dbraw/zinc/52/09/03/573520903.db2.gz XHWFWVUENAPBOD-QWRGUYRKSA-N 1 1 185.311 1.879 10 0 ADAEMO COC[C@H]1CC[N@H+]([C@@H]2CCC(=O)C2)C1 86618589 573520927 /nfs/dbraw/zinc/52/09/27/573520927.db2.gz LZXQQNOCHJCRFN-VHSXEESVSA-N 1 1 197.278 1.076 10 0 ADAEMO Cc1[nH+]ccn1[C@@H]1CCC(=O)C1 86618791 573521362 /nfs/dbraw/zinc/52/13/62/573521362.db2.gz HNYGQQHKJOFMCB-MRVPVSSYSA-N 1 1 164.208 1.486 10 0 ADAEMO Cc1[nH+]ccn1[C@H]1CCC(=O)C1 86618792 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ADAEMO O=C1CC[C@@H]([N@H+]2CCCSCC2)C1 86618224 573522257 /nfs/dbraw/zinc/52/22/57/573522257.db2.gz WRWODQMAOSNYTR-SECBINFHSA-N 1 1 199.319 1.547 10 0 ADAEMO CC[C@@H](C[NH3+])c1ncc2ccccn12 259486711 573523427 /nfs/dbraw/zinc/52/34/27/573523427.db2.gz MVTKDROHSPPRJC-VIFPVBQESA-N 1 1 189.262 1.787 10 0 ADAEMO C[C@@H]1C[N@@H+](C)C[C@@H](c2ccccc2)N1 238425801 573523057 /nfs/dbraw/zinc/52/30/57/573523057.db2.gz LPYNHGAVVPBPHH-PWSUYJOCSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@@H]1CN(C)C[C@@H](c2ccccc2)[NH2+]1 238425801 573523063 /nfs/dbraw/zinc/52/30/63/573523063.db2.gz LPYNHGAVVPBPHH-PWSUYJOCSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@@H]1C[N@@H+](C)C[C@@]2(CCCC[C@@H]2O)C1 238425826 573523107 /nfs/dbraw/zinc/52/31/07/573523107.db2.gz BZGYPFMLUUUCSD-SDDRHHMPSA-N 1 1 197.322 1.879 10 0 ADAEMO CN[C@H](C1CCCC1)[C@H]1CCC[NH2+]1 259488129 573523223 /nfs/dbraw/zinc/52/32/23/573523223.db2.gz RDEAUJCVWGKYJZ-GHMZBOCLSA-N 1 1 182.311 1.517 10 0 ADAEMO CC[C@](C)(O)CNc1[nH+]cccc1C 83466630 573523280 /nfs/dbraw/zinc/52/32/80/573523280.db2.gz VNNGVRFLFHRPEN-NSHDSACASA-N 1 1 194.278 1.963 10 0 ADAEMO CC(C)C[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620367 573525983 /nfs/dbraw/zinc/52/59/83/573525983.db2.gz QPKBZDLNWIAJOR-ZJUUUORDSA-N 1 1 171.284 1.488 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@]1(CN)CC[C@H]1C 308613424 573525999 /nfs/dbraw/zinc/52/59/99/573525999.db2.gz RFIVZTKUGYJWSC-DDHJBXDOSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](O)C2)CCCO1 86620771 573524370 /nfs/dbraw/zinc/52/43/70/573524370.db2.gz HCRXBXPOVIDLOF-MXWKQRLJSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@H]1C[N@H+]([C@@H]2CC[C@H](O)C2)C[C@@H](C)O1 86620215 573524393 /nfs/dbraw/zinc/52/43/93/573524393.db2.gz GZKKEIDDFZBQHR-YTWAJWBKSA-N 1 1 199.294 1.009 10 0 ADAEMO C[NH2+][C@@H]([C@@H]1CCCCN1)C(C)(C)C 259486620 573524418 /nfs/dbraw/zinc/52/44/18/573524418.db2.gz QZYUAAMWYFKPKB-UWVGGRQHSA-N 1 1 184.327 1.763 10 0 ADAEMO C[N@H+](CCc1cc[nH]c1)C(C)(C)CN 258750764 573524520 /nfs/dbraw/zinc/52/45/20/573524520.db2.gz GLQBYHYQUHPJSN-UHFFFAOYSA-N 1 1 195.310 1.226 10 0 ADAEMO C[N@@H+](CCc1cc[nH]c1)C(C)(C)CN 258750764 573524528 /nfs/dbraw/zinc/52/45/28/573524528.db2.gz GLQBYHYQUHPJSN-UHFFFAOYSA-N 1 1 195.310 1.226 10 0 ADAEMO C[C@]1(c2ccccc2F)[NH2+]CCO1 258742263 573524613 /nfs/dbraw/zinc/52/46/13/573524613.db2.gz WDLHBYZMJRIZSI-JTQLQIEISA-N 1 1 181.210 1.618 10 0 ADAEMO CC(=O)CCC[N@H+]1CCC[C@H]1CCO 308605954 573524634 /nfs/dbraw/zinc/52/46/34/573524634.db2.gz WNAXGZYUEKFCIC-NSHDSACASA-N 1 1 199.294 1.202 10 0 ADAEMO C[NH2+][C@H](CNC(C)C)C(C)C 259488090 573524643 /nfs/dbraw/zinc/52/46/43/573524643.db2.gz RCCUXGXVYRNHII-SECBINFHSA-N 1 1 158.289 1.228 10 0 ADAEMO CN[C@H](C[NH2+]C(C)C)C(C)C 259488090 573524647 /nfs/dbraw/zinc/52/46/47/573524647.db2.gz RCCUXGXVYRNHII-SECBINFHSA-N 1 1 158.289 1.228 10 0 ADAEMO CCCc1[nH+]ccn1[C@@H]1CC[C@H](O)C1 86621191 573524719 /nfs/dbraw/zinc/52/47/19/573524719.db2.gz LHBBECARVZAWCP-ZJUUUORDSA-N 1 1 194.278 1.922 10 0 ADAEMO C[NH2+][C@H]([C@@H]1CCCCN1)C(C)(C)C 259486622 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BVHHUNUOVPVMIG-BDAKNGLRSA-N 1 1 166.224 1.277 10 0 ADAEMO Cc1ccc(CC[NH2+]C[C@H](C)N)cc1 258745376 573525114 /nfs/dbraw/zinc/52/51/14/573525114.db2.gz LLDALJSVWNWNKM-NSHDSACASA-N 1 1 192.306 1.474 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](O)C1 86620209 573525209 /nfs/dbraw/zinc/52/52/09/573525209.db2.gz PEIAMJREXVYHEO-MXWKQRLJSA-N 1 1 183.295 1.774 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](O)C1 86620158 573525245 /nfs/dbraw/zinc/52/52/45/573525245.db2.gz JDNCKJVVNOLBTB-BBBLOLIVSA-N 1 1 169.268 1.384 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CC[C@H](O)C2)C1 86620170 573525804 /nfs/dbraw/zinc/52/58/04/573525804.db2.gz OSOOZSVLEDUDIB-KXNHARMFSA-N 1 1 197.322 1.878 10 0 ADAEMO CCOC(=O)C(C)(C)[N@@H+](C)C(C)C 258741785 573525375 /nfs/dbraw/zinc/52/53/75/573525375.db2.gz HUHLFAMYZWUJAF-UHFFFAOYSA-N 1 1 187.283 1.668 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1CC[C@H](O)C1 86620235 573525414 /nfs/dbraw/zinc/52/54/14/573525414.db2.gz MNCUVGGRNYCSBM-IUCAKERBSA-N 1 1 157.257 1.240 10 0 ADAEMO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CC[C@H](O)C1 86620549 573525500 /nfs/dbraw/zinc/52/55/00/573525500.db2.gz YONYDLDNYSTYNX-VWYCJHECSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620873 573525513 /nfs/dbraw/zinc/52/55/13/573525513.db2.gz AWNRPIXTBLAHAE-DBIOUOCHSA-N 1 1 183.295 1.488 10 0 ADAEMO C[NH2+][C@@H](CNC(C)C)C(C)C 259488092 573525516 /nfs/dbraw/zinc/52/55/16/573525516.db2.gz RCCUXGXVYRNHII-VIFPVBQESA-N 1 1 158.289 1.228 10 0 ADAEMO CN[C@@H](C[NH2+]C(C)C)C(C)C 259488092 573525520 /nfs/dbraw/zinc/52/55/20/573525520.db2.gz RCCUXGXVYRNHII-VIFPVBQESA-N 1 1 158.289 1.228 10 0 ADAEMO CCc1[nH+]ccn1[C@H]1CC[C@H](O)C1 86621128 573525574 /nfs/dbraw/zinc/52/55/74/573525574.db2.gz ORUJMDWMMNMNSG-IUCAKERBSA-N 1 1 180.251 1.531 10 0 ADAEMO C[NH2+]C[C@@H]1CCCc2cn[nH]c21 107329230 573525598 /nfs/dbraw/zinc/52/55/98/573525598.db2.gz REWVDSJFKLRVNF-ZETCQYMHSA-N 1 1 165.240 1.049 10 0 ADAEMO C[C@@H]1CCC[C@H]([C@@H]2CCCCN2)[NH2+]1 238425030 573525662 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1.787 10 0 ADAEMO C[N@H+]1CCC[C@@H]1COc1cnoc1 258406329 573526435 /nfs/dbraw/zinc/52/64/35/573526435.db2.gz IPYFSVJQGFDDFL-MRVPVSSYSA-N 1 1 182.223 1.148 10 0 ADAEMO Cc1nc[nH]c1-c1ccccc1C[NH3+] 257827004 573525866 /nfs/dbraw/zinc/52/58/66/573525866.db2.gz HRKFGJJLUJLXBC-UHFFFAOYSA-N 1 1 187.246 1.844 10 0 ADAEMO CCC[C@H]([NH+](C)C)C(C)(C)CN 259489473 573525922 /nfs/dbraw/zinc/52/59/22/573525922.db2.gz LCEOZWZGVKBOCG-VIFPVBQESA-N 1 1 172.316 1.702 10 0 ADAEMO Cc1[nH+]c(N)[nH]c1CCc1ccco1 258747318 573525971 /nfs/dbraw/zinc/52/59/71/573525971.db2.gz JSMQCWSEEPAJCU-UHFFFAOYSA-N 1 1 191.234 1.679 10 0 ADAEMO CN(C)c1cc(C(=O)C[NH3+])ccc1F 259487480 573525955 /nfs/dbraw/zinc/52/59/55/573525955.db2.gz PRFXEKAKTRIZMJ-UHFFFAOYSA-N 1 1 196.225 1.033 10 0 ADAEMO C[N@@H+](CC1CC1)[C@H]1CC[C@H](O)C1 86620478 573525966 /nfs/dbraw/zinc/52/59/66/573525966.db2.gz QLTRZFCOVWOWCZ-UWVGGRQHSA-N 1 1 169.268 1.242 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620420 573526177 /nfs/dbraw/zinc/52/61/77/573526177.db2.gz SIYZOYMYFOOPEY-IEBDPFPHSA-N 1 1 183.295 1.630 10 0 ADAEMO Cc1[nH+]cn([C@H]2CC[C@@H](O)C2)c1C 86621146 573526269 /nfs/dbraw/zinc/52/62/69/573526269.db2.gz NTCJJIRFSNSVEG-VHSXEESVSA-N 1 1 180.251 1.586 10 0 ADAEMO Cc1[nH+]cn([C@@H]2CC[C@@H](O)C2)c1C 86621145 573526286 /nfs/dbraw/zinc/52/62/86/573526286.db2.gz NTCJJIRFSNSVEG-NXEZZACHSA-N 1 1 180.251 1.586 10 0 ADAEMO CCCC[N@@H+]1CCC(=O)C1(C)C 258750498 573526306 /nfs/dbraw/zinc/52/63/06/573526306.db2.gz JXSLMDGUKATRTE-UHFFFAOYSA-N 1 1 169.268 1.840 10 0 ADAEMO CCCC[N@H+]1CCC(=O)C1(C)C 258750498 573526308 /nfs/dbraw/zinc/52/63/08/573526308.db2.gz JXSLMDGUKATRTE-UHFFFAOYSA-N 1 1 169.268 1.840 10 0 ADAEMO COc1ccc(F)cc1[C@H]([NH3+])N(C)C 259487467 573526373 /nfs/dbraw/zinc/52/63/73/573526373.db2.gz KYBRGOJWDLSDCR-SNVBAGLBSA-N 1 1 198.241 1.353 10 0 ADAEMO CCc1[nH+]ccn1[C@H]1CC[C@@H](O)C1 86621130 573526431 /nfs/dbraw/zinc/52/64/31/573526431.db2.gz ORUJMDWMMNMNSG-DTWKUNHWSA-N 1 1 180.251 1.531 10 0 ADAEMO CN1CC[N@@H+](C)[C@H](C2CCCCC2)C1 258744131 573527370 /nfs/dbraw/zinc/52/73/70/573527370.db2.gz JQIQTQKIAIUSDQ-LBPRGKRZSA-N 1 1 196.338 1.813 10 0 ADAEMO CCSCc1nc(C)cc(NN)[nH+]1 83486127 573529906 /nfs/dbraw/zinc/52/99/06/573529906.db2.gz DEFRZGJFCVRMRL-UHFFFAOYSA-N 1 1 198.295 1.324 10 0 ADAEMO Cc1ccc(CC[NH2+]C[C@@H](C)N)cc1 258745374 573527384 /nfs/dbraw/zinc/52/73/84/573527384.db2.gz LLDALJSVWNWNKM-LLVKDONJSA-N 1 1 192.306 1.474 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](O)C2)C1 86620491 573527403 /nfs/dbraw/zinc/52/74/03/573527403.db2.gz XDQRNWZXKPAQKD-BBBLOLIVSA-N 1 1 169.268 1.242 10 0 ADAEMO C[NH2+][C@H](C1CCCC1)[C@H](C)N 259490477 573527435 /nfs/dbraw/zinc/52/74/35/573527435.db2.gz QEUKALPBUUAOHA-CBAPKCEASA-N 1 1 156.273 1.112 10 0 ADAEMO C[N@@H+](CC1CC1)[C@@H]1CC[C@H](O)C1 86620477 573527471 /nfs/dbraw/zinc/52/74/71/573527471.db2.gz QLTRZFCOVWOWCZ-ZJUUUORDSA-N 1 1 169.268 1.242 10 0 ADAEMO Cc1[nH+]cn([C@H]2CC[C@H](O)C2)c1C 86621144 573527480 /nfs/dbraw/zinc/52/74/80/573527480.db2.gz NTCJJIRFSNSVEG-UWVGGRQHSA-N 1 1 180.251 1.586 10 0 ADAEMO C[N@H+]1CC[C@@]2(C1)NCCCC2(F)F 258752094 573527503 /nfs/dbraw/zinc/52/75/03/573527503.db2.gz CXPTVQLDAQLDOK-QMMMGPOBSA-N 1 1 190.237 1.079 10 0 ADAEMO C[C@H]1C[NH2+][C@@](C)(c2ccco2)O1 258742346 573527530 /nfs/dbraw/zinc/52/75/30/573527530.db2.gz WDLPEJZPLYOHQS-IONNQARKSA-N 1 1 167.208 1.461 10 0 ADAEMO CC(C)[N@H+]1C[C@H](N)CCC1(C)C 259490368 573527534 /nfs/dbraw/zinc/52/75/34/573527534.db2.gz SBHCGYRXLRFQPE-SECBINFHSA-N 1 1 170.300 1.597 10 0 ADAEMO CC(C)N1C[C@H]([NH3+])CCC1(C)C 259490368 573527538 /nfs/dbraw/zinc/52/75/38/573527538.db2.gz SBHCGYRXLRFQPE-SECBINFHSA-N 1 1 170.300 1.597 10 0 ADAEMO CC1(C)COCC[N@H+]1[C@H]1CC[C@H](O)C1 86620650 573527571 /nfs/dbraw/zinc/52/75/71/573527571.db2.gz YGYYMRXACQIIDJ-UWVGGRQHSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@H]([NH3+])c1nc([C@@H]2CCC[N@H+]2C)c[nH]1 258058503 573527637 /nfs/dbraw/zinc/52/76/37/573527637.db2.gz KNPAHWMWJCVDIX-CBAPKCEASA-N 1 1 194.282 1.196 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@@H]1CC[C@H](O)C1 86620835 573527653 /nfs/dbraw/zinc/52/76/53/573527653.db2.gz XLHCUBGYADCEIH-ZJUUUORDSA-N 1 1 183.295 1.774 10 0 ADAEMO C[NH2+][C@H](CC(C)C)C(C)(C)N 259493081 573527655 /nfs/dbraw/zinc/52/76/55/573527655.db2.gz QKIKGCLVTFVVGB-MRVPVSSYSA-N 1 1 158.289 1.358 10 0 ADAEMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](O)C1 86621033 573527665 /nfs/dbraw/zinc/52/76/65/573527665.db2.gz BVHHUNUOVPVMIG-RKDXNWHRSA-N 1 1 166.224 1.277 10 0 ADAEMO CCc1[nH]c(C2(C[NH3+])CCC2)nc1C 258744069 573527672 /nfs/dbraw/zinc/52/76/72/573527672.db2.gz QLXJHZMTTBIOJO-UHFFFAOYSA-N 1 1 193.294 1.661 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](O)C2)[C@H](C)CO1 86620397 573527784 /nfs/dbraw/zinc/52/77/84/573527784.db2.gz JVKUAHJMOSLTKS-DBIOUOCHSA-N 1 1 199.294 1.009 10 0 ADAEMO C[C@]1([C@H]2CCCCN2)CCC[NH2+]1 258051765 573527733 /nfs/dbraw/zinc/52/77/33/573527733.db2.gz DEDGPAZNPKPCOI-NXEZZACHSA-N 1 1 168.284 1.271 10 0 ADAEMO CCSCc1ncc(C[NH3+])[nH]1 83486236 573527803 /nfs/dbraw/zinc/52/78/03/573527803.db2.gz JZKIVUQTRFXBSD-UHFFFAOYSA-N 1 1 171.269 1.122 10 0 ADAEMO CCCc1[nH+]ccn1[C@@H]1CC[C@@H](O)C1 86621193 573527818 /nfs/dbraw/zinc/52/78/18/573527818.db2.gz LHBBECARVZAWCP-NXEZZACHSA-N 1 1 194.278 1.922 10 0 ADAEMO C[C@@H]([NH3+])c1nc([C@H]2CCC[N@H+]2C)c[nH]1 258058512 573527820 /nfs/dbraw/zinc/52/78/20/573527820.db2.gz KNPAHWMWJCVDIX-VXNVDRBHSA-N 1 1 194.282 1.196 10 0 ADAEMO CC1(C)COCC[N@H+]1[C@@H]1CC[C@H](O)C1 86620649 573527850 /nfs/dbraw/zinc/52/78/50/573527850.db2.gz YGYYMRXACQIIDJ-ZJUUUORDSA-N 1 1 199.294 1.011 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620446 573527951 /nfs/dbraw/zinc/52/79/51/573527951.db2.gz DQNOFFDYNLHIMS-AXFHLTTASA-N 1 1 185.311 1.876 10 0 ADAEMO C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H](O)C1 86620710 573527983 /nfs/dbraw/zinc/52/79/83/573527983.db2.gz RUDQFVKIMHPKMR-UWVGGRQHSA-N 1 1 185.311 1.878 10 0 ADAEMO N[C@H](c1cccc(F)c1)C1(C[NH3+])CC1 259493007 573528090 /nfs/dbraw/zinc/52/80/90/573528090.db2.gz QJNHGYDACGAZHB-SNVBAGLBSA-N 1 1 194.253 1.564 10 0 ADAEMO C[NH2+][C@@H](C1CCCCC1)C(C)(C)N 259491790 573528187 /nfs/dbraw/zinc/52/81/87/573528187.db2.gz QIJXPQIKZWSBEV-JTQLQIEISA-N 1 1 184.327 1.892 10 0 ADAEMO C[NH2+][C@@H](C)c1nncc(C(C)C)n1 257827499 573528204 /nfs/dbraw/zinc/52/82/04/573528204.db2.gz HXTWIZSMJCQIOS-ZETCQYMHSA-N 1 1 180.255 1.275 10 0 ADAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CC[C@H](O)C1 86620709 573528254 /nfs/dbraw/zinc/52/82/54/573528254.db2.gz RUDQFVKIMHPKMR-ZJUUUORDSA-N 1 1 185.311 1.878 10 0 ADAEMO C[N@@H+](C1CCCC1)[C@@H]1CC[C@H](O)C1 86620349 573528267 /nfs/dbraw/zinc/52/82/67/573528267.db2.gz HZMOABRYDMNEPT-MNOVXSKESA-N 1 1 183.295 1.774 10 0 ADAEMO C[C@H]([NH3+])c1ccc(F)c(O)c1F 238426382 573528281 /nfs/dbraw/zinc/52/82/81/573528281.db2.gz RUAFRQQCLZAXEZ-BYPYZUCNSA-N 1 1 173.162 1.690 10 0 ADAEMO C[C@H]([NH3+])c1nc([C@H]2CCC[N@H+]2C)c[nH]1 258058507 573530405 /nfs/dbraw/zinc/53/04/05/573530405.db2.gz KNPAHWMWJCVDIX-IONNQARKSA-N 1 1 194.282 1.196 10 0 ADAEMO C[N@H+]1CCC[C@@H]2CC[NH2+]CC[C@@H]21 107331411 573528392 /nfs/dbraw/zinc/52/83/92/573528392.db2.gz YRBJNSRKHCTNQL-ZJUUUORDSA-N 1 1 168.284 1.080 10 0 ADAEMO CC[C@@H]1C[N@H+]([C@@H]2CC[C@H](O)C2)CCO1 86620405 573528393 /nfs/dbraw/zinc/52/83/93/573528393.db2.gz MKSJWDWJORJIHD-OUAUKWLOSA-N 1 1 199.294 1.011 10 0 ADAEMO C[NH2+][C@H](C)c1nncc(C(C)C)n1 257827498 573528395 /nfs/dbraw/zinc/52/83/95/573528395.db2.gz HXTWIZSMJCQIOS-SSDOTTSWSA-N 1 1 180.255 1.275 10 0 ADAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](O)C1 86620156 573528418 /nfs/dbraw/zinc/52/84/18/573528418.db2.gz OJAMTKJJONTRGF-MXWKQRLJSA-N 1 1 183.295 1.774 10 0 ADAEMO CN[C@@H](C1CCCC1)[C@@H]1CCC[NH2+]1 259488133 573528442 /nfs/dbraw/zinc/52/84/42/573528442.db2.gz RDEAUJCVWGKYJZ-QWRGUYRKSA-N 1 1 182.311 1.517 10 0 ADAEMO Cc1[nH+]ccn1[C@H]1CC[C@H](O)C1 86621032 573528512 /nfs/dbraw/zinc/52/85/12/573528512.db2.gz BVHHUNUOVPVMIG-IUCAKERBSA-N 1 1 166.224 1.277 10 0 ADAEMO CCCc1[nH+]ccn1[C@H]1CC[C@@H](O)C1 86621194 573528523 /nfs/dbraw/zinc/52/85/23/573528523.db2.gz LHBBECARVZAWCP-VHSXEESVSA-N 1 1 194.278 1.922 10 0 ADAEMO CCOC(=[NH2+])CSCC 83485984 573528528 /nfs/dbraw/zinc/52/85/28/573528528.db2.gz UMDKERFEPGKJQS-UHFFFAOYSA-N 1 1 147.243 1.753 10 0 ADAEMO N[C@@H](c1cccc(F)c1)C1(C[NH3+])CC1 259493004 573528552 /nfs/dbraw/zinc/52/85/52/573528552.db2.gz QJNHGYDACGAZHB-JTQLQIEISA-N 1 1 194.253 1.564 10 0 ADAEMO C[NH2+][C@@H](CC(C)C)C(C)(C)N 259493083 573528565 /nfs/dbraw/zinc/52/85/65/573528565.db2.gz QKIKGCLVTFVVGB-QMMMGPOBSA-N 1 1 158.289 1.358 10 0 ADAEMO C[N@H+](C1CCOCC1)[C@@H]1CC[C@H](O)C1 86620453 573528600 /nfs/dbraw/zinc/52/86/00/573528600.db2.gz NEEDJCBHXKOZIE-MNOVXSKESA-N 1 1 199.294 1.011 10 0 ADAEMO CN[C@@H](c1ccccc1)[C@@H]1CC[NH2+]C1 257827153 573528608 /nfs/dbraw/zinc/52/86/08/573528608.db2.gz HVNWQAVIPHYNFT-NEPJUHHUSA-N 1 1 190.290 1.557 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1CC[C@H](O)C1 86620341 573528625 /nfs/dbraw/zinc/52/86/25/573528625.db2.gz GBECXZXXIKFDAK-ZJUUUORDSA-N 1 1 169.268 1.384 10 0 ADAEMO C[N@H+]1CC[C@H]([NH3+])CC12CCCC2 107331398 573528678 /nfs/dbraw/zinc/52/86/78/573528678.db2.gz AEEBCEPEYSDIFD-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO C[N@@H+](C1CCCC1)[C@H]1CC[C@H](O)C1 86620350 573528728 /nfs/dbraw/zinc/52/87/28/573528728.db2.gz HZMOABRYDMNEPT-QWRGUYRKSA-N 1 1 183.295 1.774 10 0 ADAEMO Cc1[nH+]cn([C@@H]2CC[C@H](O)C2)c1C 86621143 573528774 /nfs/dbraw/zinc/52/87/74/573528774.db2.gz NTCJJIRFSNSVEG-ZJUUUORDSA-N 1 1 180.251 1.586 10 0 ADAEMO C[N@@H+](CC1CCC1)[C@@H]1CC[C@H](O)C1 86620763 573528800 /nfs/dbraw/zinc/52/88/00/573528800.db2.gz FIBQPNKKSZMNGH-MNOVXSKESA-N 1 1 183.295 1.632 10 0 ADAEMO Cc1[nH+]cc2n1CCC[C@H]2O 258682020 573528968 /nfs/dbraw/zinc/52/89/68/573528968.db2.gz XSRGJBRJRJGAAK-MRVPVSSYSA-N 1 1 152.197 1.019 10 0 ADAEMO C[C@@]1([C@H]2CCCCN2)CCC[NH2+]1 258051778 573529106 /nfs/dbraw/zinc/52/91/06/573529106.db2.gz DEDGPAZNPKPCOI-ZJUUUORDSA-N 1 1 168.284 1.271 10 0 ADAEMO COc1ncccc1C(F)(F)C[NH3+] 238429726 573530454 /nfs/dbraw/zinc/53/04/54/573530454.db2.gz YNOFNKLGMVCPIC-UHFFFAOYSA-N 1 1 188.177 1.141 10 0 ADAEMO C[NH2+][C@H](C1CCC1)C(C)(C)N 259493020 573529413 /nfs/dbraw/zinc/52/94/13/573529413.db2.gz QJXLVYWUSXTLFL-MRVPVSSYSA-N 1 1 156.273 1.112 10 0 ADAEMO C[NH2+][C@@H](C1CCCC1)[C@H](C)N 259490479 573529457 /nfs/dbraw/zinc/52/94/57/573529457.db2.gz QEUKALPBUUAOHA-IONNQARKSA-N 1 1 156.273 1.112 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1C1([NH3+])CCC1 107331423 573529490 /nfs/dbraw/zinc/52/94/90/573529490.db2.gz JGTDDGVJRHSORI-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CN1CCCC[C@@H]1C1([NH3+])CCC1 107331423 573529496 /nfs/dbraw/zinc/52/94/96/573529496.db2.gz JGTDDGVJRHSORI-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1C1(N)CCC1 107331423 573529500 /nfs/dbraw/zinc/52/95/00/573529500.db2.gz JGTDDGVJRHSORI-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1C1(N)CCC1 107331423 573529505 /nfs/dbraw/zinc/52/95/05/573529505.db2.gz JGTDDGVJRHSORI-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO Cc1[nH+]cc2n1CCC[C@@H]2O 258682024 573529555 /nfs/dbraw/zinc/52/95/55/573529555.db2.gz XSRGJBRJRJGAAK-QMMMGPOBSA-N 1 1 152.197 1.019 10 0 ADAEMO N[C@H](c1ccccc1)C1(C[NH3+])CC1 259491835 573529566 /nfs/dbraw/zinc/52/95/66/573529566.db2.gz QIUWODWHPOKSNG-SNVBAGLBSA-N 1 1 176.263 1.425 10 0 ADAEMO C[C@@]12CCCC[C@@H]1[NH+]=C(N)O2 238430046 573529755 /nfs/dbraw/zinc/52/97/55/573529755.db2.gz BASJBBCJZPLDSH-POYBYMJQSA-N 1 1 154.213 1.033 10 0 ADAEMO CCN1CCC[C@H]1c1cc(C[NH3+])[nH]n1 258406402 573530318 /nfs/dbraw/zinc/53/03/18/573530318.db2.gz CSPLCZRVXZCZDY-JTQLQIEISA-N 1 1 194.282 1.025 10 0 ADAEMO Cc1nc([C@H]2CSCC[NH2+]2)[nH]c1C 257827606 573530319 /nfs/dbraw/zinc/53/03/19/573530319.db2.gz HZIISPGXIRJBSB-MRVPVSSYSA-N 1 1 197.307 1.404 10 0 ADAEMO CCCc1[nH+]c(C2(CO)CC2)[nH]c1C 258756057 573529789 /nfs/dbraw/zinc/52/97/89/573529789.db2.gz RTTFIQBGGNOWOV-UHFFFAOYSA-N 1 1 194.278 1.695 10 0 ADAEMO CCCc1[nH]c(C2(CO)CC2)[nH+]c1C 258756057 573529795 /nfs/dbraw/zinc/52/97/95/573529795.db2.gz RTTFIQBGGNOWOV-UHFFFAOYSA-N 1 1 194.278 1.695 10 0 ADAEMO CO[C@@H](C)CN(C)c1[nH+]cccc1N 308614363 573529843 /nfs/dbraw/zinc/52/98/43/573529843.db2.gz ZOGVCUONYUCARY-QMMMGPOBSA-N 1 1 195.266 1.135 10 0 ADAEMO CN[C@@H](C[NH2+]C1CC1)CC(C)C 259488152 573529893 /nfs/dbraw/zinc/52/98/93/573529893.db2.gz RDWGGNQBWUBVJO-SNVBAGLBSA-N 1 1 170.300 1.373 10 0 ADAEMO CC(=O)c1noc([C@H]2CCCC[NH2+]2)n1 258051752 573529894 /nfs/dbraw/zinc/52/98/94/573529894.db2.gz PCMSKUJUPAAESQ-SSDOTTSWSA-N 1 1 195.222 1.087 10 0 ADAEMO Cc1nc([C@@H]2CSCC[NH2+]2)[nH]c1C 257827608 573529972 /nfs/dbraw/zinc/52/99/72/573529972.db2.gz HZIISPGXIRJBSB-QMMMGPOBSA-N 1 1 197.307 1.404 10 0 ADAEMO C[N@H+]1CCCC[C@H]1C1([NH3+])CCC1 107331425 573530045 /nfs/dbraw/zinc/53/00/45/573530045.db2.gz JGTDDGVJRHSORI-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO CN1CCCC[C@H]1C1([NH3+])CCC1 107331425 573530049 /nfs/dbraw/zinc/53/00/49/573530049.db2.gz JGTDDGVJRHSORI-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1C1(N)CCC1 107331425 573530055 /nfs/dbraw/zinc/53/00/55/573530055.db2.gz JGTDDGVJRHSORI-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO C[N@H+]1CCCC[C@H]1C1(N)CCC1 107331425 573530060 /nfs/dbraw/zinc/53/00/60/573530060.db2.gz JGTDDGVJRHSORI-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO C[NH2+]CC(F)(F)C[C@@H]1CCSC1 257827566 573530091 /nfs/dbraw/zinc/53/00/91/573530091.db2.gz HXIRRKSXMMUUTK-ZETCQYMHSA-N 1 1 195.278 1.984 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1c1cc(C[NH3+])n[nH]1 258406403 573530119 /nfs/dbraw/zinc/53/01/19/573530119.db2.gz CSPLCZRVXZCZDY-SNVBAGLBSA-N 1 1 194.282 1.025 10 0 ADAEMO CC(C)(O)c1ccc(C(=O)C[NH3+])cc1 259491299 573530122 /nfs/dbraw/zinc/53/01/22/573530122.db2.gz PZAGKKKUUXRVHK-UHFFFAOYSA-N 1 1 193.246 1.055 10 0 ADAEMO CCN1CCC[C@@H]1c1cc(C[NH3+])[nH]n1 258406403 573530135 /nfs/dbraw/zinc/53/01/35/573530135.db2.gz CSPLCZRVXZCZDY-SNVBAGLBSA-N 1 1 194.282 1.025 10 0 ADAEMO C[C@@]12CCCC[C@@H]1NC[NH2+]C2 238430157 573530165 /nfs/dbraw/zinc/53/01/65/573530165.db2.gz IJGZSWZGARGIFA-IUCAKERBSA-N 1 1 154.257 1.086 10 0 ADAEMO CN[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1 257827157 573530245 /nfs/dbraw/zinc/53/02/45/573530245.db2.gz HVNWQAVIPHYNFT-RYUDHWBXSA-N 1 1 190.290 1.557 10 0 ADAEMO C[C@]1([C@@H]2CCCCN2)CCC[NH2+]1 258051773 573530305 /nfs/dbraw/zinc/53/03/05/573530305.db2.gz DEDGPAZNPKPCOI-VHSXEESVSA-N 1 1 168.284 1.271 10 0 ADAEMO CC[N@@H+]1CCC[C@H]1c1cc(C[NH3+])n[nH]1 258406402 573530309 /nfs/dbraw/zinc/53/03/09/573530309.db2.gz CSPLCZRVXZCZDY-JTQLQIEISA-N 1 1 194.282 1.025 10 0 ADAEMO CN[C@H](c1ccccc1)[C@@H]1CC[NH2+]C1 257827159 573530821 /nfs/dbraw/zinc/53/08/21/573530821.db2.gz HVNWQAVIPHYNFT-VXGBXAGGSA-N 1 1 190.290 1.557 10 0 ADAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CC[NH2+]1 107331416 573530734 /nfs/dbraw/zinc/53/07/34/573530734.db2.gz UXBNGOSEKZAXIZ-VHSXEESVSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CCN1 107331416 573530740 /nfs/dbraw/zinc/53/07/40/573530740.db2.gz UXBNGOSEKZAXIZ-VHSXEESVSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CCN1 107331416 573530746 /nfs/dbraw/zinc/53/07/46/573530746.db2.gz UXBNGOSEKZAXIZ-VHSXEESVSA-N 1 1 168.284 1.223 10 0 ADAEMO C[NH2+][C@H](C1CCCCC1)C(C)(C)N 259491794 573530827 /nfs/dbraw/zinc/53/08/27/573530827.db2.gz QIJXPQIKZWSBEV-SNVBAGLBSA-N 1 1 184.327 1.892 10 0 ADAEMO C[C@@]1([C@@H]2CCCCN2)CCC[NH2+]1 258051768 573530856 /nfs/dbraw/zinc/53/08/56/573530856.db2.gz DEDGPAZNPKPCOI-UWVGGRQHSA-N 1 1 168.284 1.271 10 0 ADAEMO C[NH2+]CC(F)(F)C[C@H]1CCSC1 257827565 573530935 /nfs/dbraw/zinc/53/09/35/573530935.db2.gz HXIRRKSXMMUUTK-SSDOTTSWSA-N 1 1 195.278 1.984 10 0 ADAEMO CCC[N@H+]1C[C@H](O)CCC1(C)C 258753579 573531320 /nfs/dbraw/zinc/53/13/20/573531320.db2.gz KDCPJOZHGOCCQS-SECBINFHSA-N 1 1 171.284 1.632 10 0 ADAEMO N[C@@H](C[NH2+]C1CC1)C1CCCC1 258051494 573531015 /nfs/dbraw/zinc/53/10/15/573531015.db2.gz BNYKFWOCLPUWBR-JTQLQIEISA-N 1 1 168.284 1.256 10 0 ADAEMO [NH3+][C@@H](CNC1CC1)C1CCCC1 258051494 573531021 /nfs/dbraw/zinc/53/10/21/573531021.db2.gz BNYKFWOCLPUWBR-JTQLQIEISA-N 1 1 168.284 1.256 10 0 ADAEMO C[C@@H]([NH3+])c1ccc(O)c(Cl)n1 238429199 573531046 /nfs/dbraw/zinc/53/10/46/573531046.db2.gz DLKDMGIWMCCXDO-SCSAIBSYSA-N 1 1 172.615 1.460 10 0 ADAEMO CCSCC(=[NH2+])OC 83485983 573531136 /nfs/dbraw/zinc/53/11/36/573531136.db2.gz AOKBBVMRJNUFTG-UHFFFAOYSA-N 1 1 133.216 1.363 10 0 ADAEMO CN[C@@H](C1CCCC1)[C@H]1CCC[NH2+]1 259488131 573531149 /nfs/dbraw/zinc/53/11/49/573531149.db2.gz RDEAUJCVWGKYJZ-MNOVXSKESA-N 1 1 182.311 1.517 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1CCC1(O)CC1 258051518 573531157 /nfs/dbraw/zinc/53/11/57/573531157.db2.gz OZSWRCSCUHKKSJ-SNVBAGLBSA-N 1 1 183.295 1.776 10 0 ADAEMO CC(C)[N@H+]1C[C@@H](N)CCC1(C)C 259490369 573531183 /nfs/dbraw/zinc/53/11/83/573531183.db2.gz SBHCGYRXLRFQPE-VIFPVBQESA-N 1 1 170.300 1.597 10 0 ADAEMO CC(C)N1C[C@@H]([NH3+])CCC1(C)C 259490369 573531187 /nfs/dbraw/zinc/53/11/87/573531187.db2.gz SBHCGYRXLRFQPE-VIFPVBQESA-N 1 1 170.300 1.597 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](CO)C1(C)C 259491538 573531201 /nfs/dbraw/zinc/53/12/01/573531201.db2.gz SCKFUHJKAAHMAJ-SECBINFHSA-N 1 1 171.284 1.488 10 0 ADAEMO Cc1ccsc1CC[NH2+]C[C@@H](C)N 258681953 573531273 /nfs/dbraw/zinc/53/12/73/573531273.db2.gz DVASEMITENUYOQ-SECBINFHSA-N 1 1 198.335 1.536 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](CO)C1(C)C 259491539 573531279 /nfs/dbraw/zinc/53/12/79/573531279.db2.gz SCKFUHJKAAHMAJ-VIFPVBQESA-N 1 1 171.284 1.488 10 0 ADAEMO C[N@H+]1CC[C@@](O)(Cc2ccsc2)C1 83504007 573531798 /nfs/dbraw/zinc/53/17/98/573531798.db2.gz YRBWKETZCHGLIW-SNVBAGLBSA-N 1 1 197.303 1.357 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1C1(CN)CC1 107331419 573531880 /nfs/dbraw/zinc/53/18/80/573531880.db2.gz KHFDHEQCHZJFMV-SECBINFHSA-N 1 1 168.284 1.210 10 0 ADAEMO C[N@H+]1CC[C@](O)(CCC(C)(C)C)C1 83503981 573531845 /nfs/dbraw/zinc/53/18/45/573531845.db2.gz NOBGTOPOQGRHIY-LLVKDONJSA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@@H]1CCN2c3ccccc3C[NH2+][C@@H]12 238429701 573531846 /nfs/dbraw/zinc/53/18/46/573531846.db2.gz GESZLRNXMMYMQT-BXKDBHETSA-N 1 1 188.274 1.962 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CC1 107331419 573531870 /nfs/dbraw/zinc/53/18/70/573531870.db2.gz KHFDHEQCHZJFMV-SECBINFHSA-N 1 1 168.284 1.210 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1C1(CN)CC1 107331419 573531875 /nfs/dbraw/zinc/53/18/75/573531875.db2.gz KHFDHEQCHZJFMV-SECBINFHSA-N 1 1 168.284 1.210 10 0 ADAEMO C[C@H](O)[C@]12CCCC[N@@H+]1CCC2 238430750 573535234 /nfs/dbraw/zinc/53/52/34/573535234.db2.gz GYQLCXFDKRLSBP-VHSXEESVSA-N 1 1 169.268 1.386 10 0 ADAEMO Cc1nc[nH]c1-c1ccc(C[NH3+])cc1 257828604 573532742 /nfs/dbraw/zinc/53/27/42/573532742.db2.gz ILPFOIYGUDNRPE-UHFFFAOYSA-N 1 1 187.246 1.844 10 0 ADAEMO CCC[N@H+]1CCCCNC(C)(C)C1 259488596 573532802 /nfs/dbraw/zinc/53/28/02/573532802.db2.gz RXQKFNQVRHUGEM-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCN1CCCC[NH2+]C(C)(C)C1 259488596 573532808 /nfs/dbraw/zinc/53/28/08/573532808.db2.gz RXQKFNQVRHUGEM-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO C[NH2+][C@@H](C1CCC1)C(C)(C)N 259493023 573532827 /nfs/dbraw/zinc/53/28/27/573532827.db2.gz QJXLVYWUSXTLFL-QMMMGPOBSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@@H]1CC[N@@H+](CCO)C1(C)C 238429078 573532871 /nfs/dbraw/zinc/53/28/71/573532871.db2.gz WQAWKVWFQLDAIY-MRVPVSSYSA-N 1 1 157.257 1.099 10 0 ADAEMO CC[C@@H](C)C[C@]1(O)CC[N@@H+](C)C1 83504022 573532949 /nfs/dbraw/zinc/53/29/49/573532949.db2.gz MKRVJJGBVGAHNI-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC[C@H](C)C[C@]1(O)CC[N@@H+](C)C1 83504023 573532984 /nfs/dbraw/zinc/53/29/84/573532984.db2.gz MKRVJJGBVGAHNI-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO Cc1ccsc1CC[NH2+]C[C@H](C)N 258681956 573533088 /nfs/dbraw/zinc/53/30/88/573533088.db2.gz DVASEMITENUYOQ-VIFPVBQESA-N 1 1 198.335 1.536 10 0 ADAEMO CC(C)n1cnc(C[NH+](C)C)c1 258054766 573533090 /nfs/dbraw/zinc/53/30/90/573533090.db2.gz FUXWJMVYEHYGPP-UHFFFAOYSA-N 1 1 167.256 1.526 10 0 ADAEMO CC(C)NC[C@]1(F)CCC[NH2+]C1 257828566 573533117 /nfs/dbraw/zinc/53/31/17/573533117.db2.gz IJANHXKGYBFXRN-VIFPVBQESA-N 1 1 174.263 1.076 10 0 ADAEMO OC[C@H]1CCC[N@H+](C2CCC2)CC1 306283908 573533119 /nfs/dbraw/zinc/53/31/19/573533119.db2.gz BBEPICBJTUXDTJ-JTQLQIEISA-N 1 1 183.295 1.633 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H](CCON)C1 258052970 573533133 /nfs/dbraw/zinc/53/31/33/573533133.db2.gz UOPXNLJGBHRPNV-SNVBAGLBSA-N 1 1 186.299 1.387 10 0 ADAEMO CC[C@@H](C)C[C@@]1(O)CC[N@@H+](C)C1 83504024 573533135 /nfs/dbraw/zinc/53/31/35/573533135.db2.gz MKRVJJGBVGAHNI-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO C[N@H+]1CC[C@@](O)(CC2CCCC2)C1 83504021 573533427 /nfs/dbraw/zinc/53/34/27/573533427.db2.gz WSFVODOWOIKYRA-LLVKDONJSA-N 1 1 183.295 1.633 10 0 ADAEMO Cc1nc(C2C[NH2+]C2)[nH]c1C(C)(C)C 257828080 573533541 /nfs/dbraw/zinc/53/35/41/573533541.db2.gz IGHFRJCXUQPPLY-UHFFFAOYSA-N 1 1 193.294 1.702 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)Cc1cnc(N)o1 308614598 573533548 /nfs/dbraw/zinc/53/35/48/573533548.db2.gz PGLJOWZFEKSAJJ-MRVPVSSYSA-N 1 1 197.282 1.877 10 0 ADAEMO CC(C)c1[nH+]cc2n1CCC(=O)C2 107337589 573533568 /nfs/dbraw/zinc/53/35/68/573533568.db2.gz YYWULNDXQQZPRM-UHFFFAOYSA-N 1 1 178.235 1.522 10 0 ADAEMO C[N@H+]1CC[C@](O)(CC2CCCC2)C1 83504020 573533675 /nfs/dbraw/zinc/53/36/75/573533675.db2.gz WSFVODOWOIKYRA-NSHDSACASA-N 1 1 183.295 1.633 10 0 ADAEMO CC(C)[C@H](CO)[N@@H+](C)CC(C)(C)C 258756697 573533703 /nfs/dbraw/zinc/53/37/03/573533703.db2.gz GXDIAODIMYSEDA-JTQLQIEISA-N 1 1 187.327 1.981 10 0 ADAEMO CC[C@H](C)C[C@@]1(O)CC[N@@H+](C)C1 83504025 573533782 /nfs/dbraw/zinc/53/37/82/573533782.db2.gz MKRVJJGBVGAHNI-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO CCc1[nH]c(C[NH3+])nc1CC(C)C 257828993 573533967 /nfs/dbraw/zinc/53/39/67/573533967.db2.gz IOABNTAOPGUNQR-UHFFFAOYSA-N 1 1 181.283 1.629 10 0 ADAEMO C[N@H+]1CC[C@](O)(Cc2ccsc2)C1 83504006 573534021 /nfs/dbraw/zinc/53/40/21/573534021.db2.gz YRBWKETZCHGLIW-JTQLQIEISA-N 1 1 197.303 1.357 10 0 ADAEMO FC1(F)C[NH2+]CC[C@H]1C1CC1 257828844 573534094 /nfs/dbraw/zinc/53/40/94/573534094.db2.gz IPSBACVLYHOZQK-ZETCQYMHSA-N 1 1 161.195 1.641 10 0 ADAEMO CC(C)CC[C@@]1(O)CC[N@@H+](C)C1 83504009 573534161 /nfs/dbraw/zinc/53/41/61/573534161.db2.gz TVNURLHPKYYBQZ-SNVBAGLBSA-N 1 1 171.284 1.489 10 0 ADAEMO CC1(C)C[N@H+](C2CCCC2)CC(=O)N1 259104806 573534338 /nfs/dbraw/zinc/53/43/38/573534338.db2.gz ATKIIHUQUWQEJL-UHFFFAOYSA-N 1 1 196.294 1.139 10 0 ADAEMO CCCc1[nH+]cc2n1CCC[C@H]2CO 258053043 573534563 /nfs/dbraw/zinc/53/45/63/573534563.db2.gz CXSWQHNDPDFOEC-VIFPVBQESA-N 1 1 194.278 1.705 10 0 ADAEMO CCC[N@H+]1C[C@@H](O)CCC1(C)C 258753581 573534620 /nfs/dbraw/zinc/53/46/20/573534620.db2.gz KDCPJOZHGOCCQS-VIFPVBQESA-N 1 1 171.284 1.632 10 0 ADAEMO CCCC[C@]1(O)CC[N@@H+](C)C1 83503972 573534670 /nfs/dbraw/zinc/53/46/70/573534670.db2.gz TUKUCRHVUDYOAC-VIFPVBQESA-N 1 1 157.257 1.243 10 0 ADAEMO C[N@H+]1CC[C@](O)(Cc2cccs2)C1 83503996 573534696 /nfs/dbraw/zinc/53/46/96/573534696.db2.gz DBPNDDQMABJDPX-JTQLQIEISA-N 1 1 197.303 1.357 10 0 ADAEMO C[NH2+]Cc1nc([C@H]2CCSC2)no1 258054105 573534739 /nfs/dbraw/zinc/53/47/39/573534739.db2.gz PGMCHXYOLPPQNF-LURJTMIESA-N 1 1 199.279 1.010 10 0 ADAEMO CCCc1[nH+]cc2n1CCC[C@@H]2CO 258053039 573534791 /nfs/dbraw/zinc/53/47/91/573534791.db2.gz CXSWQHNDPDFOEC-SECBINFHSA-N 1 1 194.278 1.705 10 0 ADAEMO C[N@H+]1Cc2cccc(CCO)c2C1 257828647 573534959 /nfs/dbraw/zinc/53/49/59/573534959.db2.gz INNUCRFBODEDDX-UHFFFAOYSA-N 1 1 177.247 1.167 10 0 ADAEMO CC[N@H+]1CCNc2ccccc2CC1 259495097 573534966 /nfs/dbraw/zinc/53/49/66/573534966.db2.gz SMRPJWHZYXAWAR-UHFFFAOYSA-N 1 1 190.290 1.977 10 0 ADAEMO CC(C)CC[C@]1(O)CC[N@@H+](C)C1 83504008 573535130 /nfs/dbraw/zinc/53/51/30/573535130.db2.gz TVNURLHPKYYBQZ-JTQLQIEISA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@@H]1CCN[C@H](c2ccccc2)[NH2+]1 238434297 573536075 /nfs/dbraw/zinc/53/60/75/573536075.db2.gz HHEGNOULRWVFSD-KOLCDFICSA-N 1 1 176.263 1.657 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@H]1[C@H]1N[C@H](C)CO1 258761391 573535930 /nfs/dbraw/zinc/53/59/30/573535930.db2.gz WSPKHQFBHDDZBI-VWYCJHECSA-N 1 1 198.310 1.194 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1[C@H]1N[C@H](C)CO1 258761391 573535938 /nfs/dbraw/zinc/53/59/38/573535938.db2.gz WSPKHQFBHDDZBI-VWYCJHECSA-N 1 1 198.310 1.194 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@@H]1[C@@H]1N[C@H](C)CO1 258761341 573535996 /nfs/dbraw/zinc/53/59/96/573535996.db2.gz WSPKHQFBHDDZBI-GMTAPVOTSA-N 1 1 198.310 1.194 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1[C@@H]1N[C@H](C)CO1 258761341 573535999 /nfs/dbraw/zinc/53/59/99/573535999.db2.gz WSPKHQFBHDDZBI-GMTAPVOTSA-N 1 1 198.310 1.194 10 0 ADAEMO C[N@H+]1CC[C@@](O)(CCC(C)(C)C)C1 83503980 573536015 /nfs/dbraw/zinc/53/60/15/573536015.db2.gz NOBGTOPOQGRHIY-NSHDSACASA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@@H]1CCN[C@H]([C@@H]2CCC[NH2+]2)C1 238434073 573536063 /nfs/dbraw/zinc/53/60/63/573536063.db2.gz CMSQNYZMYMDSNQ-UTLUCORTSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@@H]([NH3+])Cc1[nH]ncc1C1CCC1 257824277 573538318 /nfs/dbraw/zinc/53/83/18/573538318.db2.gz GENDACRCECCBHM-SSDOTTSWSA-N 1 1 179.267 1.567 10 0 ADAEMO Cc1ccc(C[NH2+]C[C@H](C)N)cc1C 258760914 573538381 /nfs/dbraw/zinc/53/83/81/573538381.db2.gz NDRDAJCSWJDNTF-NSHDSACASA-N 1 1 192.306 1.740 10 0 ADAEMO CCCc1cn[nH]c1C[C@H](C)[NH3+] 257824265 573538475 /nfs/dbraw/zinc/53/84/75/573538475.db2.gz GDPKEQYIMHXIKW-ZETCQYMHSA-N 1 1 167.256 1.252 10 0 ADAEMO C[C@H]([NH3+])Cc1[nH]ncc1C1CCC1 257824278 573538563 /nfs/dbraw/zinc/53/85/63/573538563.db2.gz GENDACRCECCBHM-ZETCQYMHSA-N 1 1 179.267 1.567 10 0 ADAEMO CCC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 86654879 573538596 /nfs/dbraw/zinc/53/85/96/573538596.db2.gz GLTAVCAOXNBAMK-SNVBAGLBSA-N 1 1 185.267 1.075 10 0 ADAEMO CCC(=O)[C@H]1C[N@H+](C(C)C)CCO1 86654879 573538601 /nfs/dbraw/zinc/53/86/01/573538601.db2.gz GLTAVCAOXNBAMK-SNVBAGLBSA-N 1 1 185.267 1.075 10 0 ADAEMO COC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1C(C)C 257829182 573538625 /nfs/dbraw/zinc/53/86/25/573538625.db2.gz GTKCBWUTDSPHDO-VHSXEESVSA-N 1 1 199.294 1.383 10 0 ADAEMO CC(C)Cc1cn[nH]c1[C@H](C)[NH3+] 257829340 573538677 /nfs/dbraw/zinc/53/86/77/573538677.db2.gz IXEAIPHBJXHJSA-ZETCQYMHSA-N 1 1 167.256 1.628 10 0 ADAEMO CN[C@@H](CC[NH3+])c1cccc(F)c1 259494407 573538721 /nfs/dbraw/zinc/53/87/21/573538721.db2.gz QMIQFKZCCJLMEU-JTQLQIEISA-N 1 1 182.242 1.435 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](O)C1(C)C 259495053 573538764 /nfs/dbraw/zinc/53/87/64/573538764.db2.gz SLKPHRGERKWVBO-MRVPVSSYSA-N 1 1 171.284 1.630 10 0 ADAEMO COC(=O)[C@@]1([NH2+]CC2CC2)CC[C@H]1C 308616430 573538825 /nfs/dbraw/zinc/53/88/25/573538825.db2.gz RVSPSAXZZOWSDQ-LDYMZIIASA-N 1 1 197.278 1.328 10 0 ADAEMO Cc1cc([C@H](O)[NH+](C)C)ccc1F 259494150 573538926 /nfs/dbraw/zinc/53/89/26/573538926.db2.gz LJMFAJLPWXTHSK-JTQLQIEISA-N 1 1 183.226 1.687 10 0 ADAEMO Cc1nc(CCC2([NH3+])CC2)c(C)n1C 257824326 573539088 /nfs/dbraw/zinc/53/90/88/573539088.db2.gz GSUPDXVKXAUVHL-UHFFFAOYSA-N 1 1 193.294 1.461 10 0 ADAEMO C[C@@H](CNC1CC1)[N@@H+]1C[C@H](C)C[C@@H]1C 158280571 573539164 /nfs/dbraw/zinc/53/91/64/573539164.db2.gz IZRKMKYIZQWAHE-VWYCJHECSA-N 1 1 196.338 1.857 10 0 ADAEMO C[C@@H](CNC1CC1)[N@H+]1C[C@H](C)C[C@@H]1C 158280571 573539171 /nfs/dbraw/zinc/53/91/71/573539171.db2.gz IZRKMKYIZQWAHE-VWYCJHECSA-N 1 1 196.338 1.857 10 0 ADAEMO C[N@H+]1CC[C@](O)(CC[C@@H]2CCCO2)C1 83528399 573539611 /nfs/dbraw/zinc/53/96/11/573539611.db2.gz QNOAEMOLDHNDNX-WDEREUQCSA-N 1 1 199.294 1.012 10 0 ADAEMO CCc1oc(C[NH3+])nc1C1CCC1 257829030 573539676 /nfs/dbraw/zinc/53/96/76/573539676.db2.gz IQANFAFJQQXVQT-UHFFFAOYSA-N 1 1 180.251 1.963 10 0 ADAEMO COC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1C(C)C 257829180 573540020 /nfs/dbraw/zinc/54/00/20/573540020.db2.gz GTKCBWUTDSPHDO-NXEZZACHSA-N 1 1 199.294 1.383 10 0 ADAEMO CCCc1cn[nH]c1C[C@@H](C)[NH3+] 257824264 573540042 /nfs/dbraw/zinc/54/00/42/573540042.db2.gz GDPKEQYIMHXIKW-SSDOTTSWSA-N 1 1 167.256 1.252 10 0 ADAEMO C[N@H+]1CC[C@@](CO)(Cc2ccco2)C1 258766980 573540051 /nfs/dbraw/zinc/54/00/51/573540051.db2.gz KWTWBOMZGOSDIS-LLVKDONJSA-N 1 1 195.262 1.136 10 0 ADAEMO Cc1[nH]cnc1C[C@H]1CCC[NH2+]C1 257829045 573540133 /nfs/dbraw/zinc/54/01/33/573540133.db2.gz IQLALEWVQQMBRI-SECBINFHSA-N 1 1 179.267 1.260 10 0 ADAEMO COCc1cc(C(=O)C[NH3+])ccc1F 258056523 573540161 /nfs/dbraw/zinc/54/01/61/573540161.db2.gz LCZWOOQZEBIHTN-UHFFFAOYSA-N 1 1 197.209 1.114 10 0 ADAEMO C[N@@H+]1CCc2ccccc2C[C@@H]1CN 107352039 573540305 /nfs/dbraw/zinc/54/03/05/573540305.db2.gz ZFEAITFDKLXGQV-GFCCVEGCSA-N 1 1 190.290 1.044 10 0 ADAEMO CC(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 86654881 573540358 /nfs/dbraw/zinc/54/03/58/573540358.db2.gz PRXGNCVLZLXKDU-SNVBAGLBSA-N 1 1 199.294 1.321 10 0 ADAEMO CC(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 86654881 573540363 /nfs/dbraw/zinc/54/03/63/573540363.db2.gz PRXGNCVLZLXKDU-SNVBAGLBSA-N 1 1 199.294 1.321 10 0 ADAEMO CN[C@H](CC[NH2+]C)c1sccc1C 259501406 573540476 /nfs/dbraw/zinc/54/04/76/573540476.db2.gz QXZCWSIBZMEKJV-SECBINFHSA-N 1 1 198.335 1.927 10 0 ADAEMO CC(C)Cc1cn[nH]c1[C@@H](C)[NH3+] 257829339 573540531 /nfs/dbraw/zinc/54/05/31/573540531.db2.gz IXEAIPHBJXHJSA-SSDOTTSWSA-N 1 1 167.256 1.628 10 0 ADAEMO COC(=O)[C@H]1CC[N@@H+](C)C[C@H]1C(C)C 257829181 573540950 /nfs/dbraw/zinc/54/09/50/573540950.db2.gz GTKCBWUTDSPHDO-UWVGGRQHSA-N 1 1 199.294 1.383 10 0 ADAEMO CC1(C)C[C@@H](NC2CCCC2)C[NH2+]1 258770066 573540752 /nfs/dbraw/zinc/54/07/52/573540752.db2.gz PTNBDNUFVYOURX-SNVBAGLBSA-N 1 1 182.311 1.659 10 0 ADAEMO COC(=O)[C@]1([NH2+]CC2CC2)CC[C@H]1C 308616428 573540813 /nfs/dbraw/zinc/54/08/13/573540813.db2.gz RVSPSAXZZOWSDQ-KCJUWKMLSA-N 1 1 197.278 1.328 10 0 ADAEMO CN[C@@H](CC[NH2+]C)c1sccc1C 259501408 573540992 /nfs/dbraw/zinc/54/09/92/573540992.db2.gz QXZCWSIBZMEKJV-VIFPVBQESA-N 1 1 198.335 1.927 10 0 ADAEMO NC(=[NH2+])Cc1ccc(F)c(F)c1O 107347755 573541036 /nfs/dbraw/zinc/54/10/36/573541036.db2.gz JOYAXNHXLGMDBD-UHFFFAOYSA-N 1 1 186.161 1.149 10 0 ADAEMO CN(C)CC(C)(C)[NH2+]Cc1ccoc1 308614845 573541188 /nfs/dbraw/zinc/54/11/88/573541188.db2.gz LHEYRERZPCBAEH-UHFFFAOYSA-N 1 1 196.294 1.709 10 0 ADAEMO C[NH2+][C@@H](CCCCF)c1c[nH]nn1 393533337 573541223 /nfs/dbraw/zinc/54/12/23/573541223.db2.gz DXDARIVDTAFUHL-ZETCQYMHSA-N 1 1 186.234 1.205 10 0 ADAEMO C[NH2+][C@@H](CCCCF)c1cn[nH]n1 393533337 573541228 /nfs/dbraw/zinc/54/12/28/573541228.db2.gz DXDARIVDTAFUHL-ZETCQYMHSA-N 1 1 186.234 1.205 10 0 ADAEMO C[C@@H]([NH3+])Cc1ncc2ccc(F)cn12 107356563 573541442 /nfs/dbraw/zinc/54/14/42/573541442.db2.gz KRTOWCLQJSENAW-SSDOTTSWSA-N 1 1 193.225 1.363 10 0 ADAEMO C[C@H](O)CC[C@H]1CC[C@@H](C)[N@H+]1C 238435505 573543279 /nfs/dbraw/zinc/54/32/79/573543279.db2.gz VXVARGGCKUTMLL-KXUCPTDWSA-N 1 1 171.284 1.630 10 0 ADAEMO C[C@H](CCO)[N@@H+](C)C(C)(C)C 238434544 573542816 /nfs/dbraw/zinc/54/28/16/573542816.db2.gz WYWCJFUVXZRAKU-MRVPVSSYSA-N 1 1 159.273 1.488 10 0 ADAEMO CCC[C@H]1CCC[N@H+]1[C@@H]1COC[C@H]1O 687984203 573542833 /nfs/dbraw/zinc/54/28/33/573542833.db2.gz WXCPRJZAZXCPMN-HBNTYKKESA-N 1 1 199.294 1.011 10 0 ADAEMO Cc1cccc([C@@H](N)C(C)(C)C[NH3+])c1 259500822 573543015 /nfs/dbraw/zinc/54/30/15/573543015.db2.gz UMFGBAXJPNSUJN-LLVKDONJSA-N 1 1 192.306 1.980 10 0 ADAEMO N[C@@H]1CCCC[C@]1([NH3+])c1ccccc1 224285655 573543174 /nfs/dbraw/zinc/54/31/74/573543174.db2.gz AQHKOJNNMBYCFJ-NEPJUHHUSA-N 1 1 190.290 1.742 10 0 ADAEMO C[NH2+][C@H](CCCCF)c1c[nH]nn1 393533336 573543311 /nfs/dbraw/zinc/54/33/11/573543311.db2.gz DXDARIVDTAFUHL-SSDOTTSWSA-N 1 1 186.234 1.205 10 0 ADAEMO C[N@H+]1CC[C@@](O)(CC[C@@H]2CCCO2)C1 83528400 573543315 /nfs/dbraw/zinc/54/33/15/573543315.db2.gz QNOAEMOLDHNDNX-QWRGUYRKSA-N 1 1 199.294 1.012 10 0 ADAEMO C[NH2+][C@H](CCCCF)c1cn[nH]n1 393533336 573543317 /nfs/dbraw/zinc/54/33/17/573543317.db2.gz DXDARIVDTAFUHL-SSDOTTSWSA-N 1 1 186.234 1.205 10 0 ADAEMO COC(=O)[C@@H]([NH3+])C[C@@H](C)CC(F)F 688725249 573543394 /nfs/dbraw/zinc/54/33/94/573543394.db2.gz FJVBOQNMGAUDLC-RITPCOANSA-N 1 1 195.209 1.168 10 0 ADAEMO [NH3+]CC(=O)c1cccc2cccnc12 107347837 573543433 /nfs/dbraw/zinc/54/34/33/573543433.db2.gz UZDCSRFCZFQYRV-UHFFFAOYSA-N 1 1 186.214 1.376 10 0 ADAEMO Cc1cc(Cl)c(C(N)[NH3+])cc1F 259500706 573543488 /nfs/dbraw/zinc/54/34/88/573543488.db2.gz ULMRFOCFCGOVKC-UHFFFAOYSA-N 1 1 188.633 1.704 10 0 ADAEMO C[C@H]([NH3+])[C@H](C1CCCC1)N(C)C 259500883 573543589 /nfs/dbraw/zinc/54/35/89/573543589.db2.gz LRLQQNDUDIWNQB-WCBMZHEXSA-N 1 1 170.300 1.454 10 0 ADAEMO [NH3+]CC(=O)c1ccc2ncccc2c1 107347833 573543635 /nfs/dbraw/zinc/54/36/35/573543635.db2.gz JKONJMYXMVXTAJ-UHFFFAOYSA-N 1 1 186.214 1.376 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1c1csc(N)n1 258062889 573543792 /nfs/dbraw/zinc/54/37/92/573543792.db2.gz KVDBLEGRRPWWAO-QMMMGPOBSA-N 1 1 197.307 1.882 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1csc(N)n1 258062889 573543795 /nfs/dbraw/zinc/54/37/95/573543795.db2.gz KVDBLEGRRPWWAO-QMMMGPOBSA-N 1 1 197.307 1.882 10 0 ADAEMO COC(=O)[C@H]([NH3+])C[C@H](C)CC(F)F 688725243 573543826 /nfs/dbraw/zinc/54/38/26/573543826.db2.gz FJVBOQNMGAUDLC-NTSWFWBYSA-N 1 1 195.209 1.168 10 0 ADAEMO CC(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 86654880 573543896 /nfs/dbraw/zinc/54/38/96/573543896.db2.gz PRXGNCVLZLXKDU-JTQLQIEISA-N 1 1 199.294 1.321 10 0 ADAEMO CC(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 86654880 573543902 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[NH3+][C@@H](C(F)F)[C@H]1CCc2cccnc21 236299803 573545180 /nfs/dbraw/zinc/54/51/80/573545180.db2.gz WKHYSEFZLQTUAX-HTQZYQBOSA-N 1 1 198.216 1.704 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1Cc2cncnc2C1 585332385 573545183 /nfs/dbraw/zinc/54/51/83/573545183.db2.gz VLZDWLDERKWUNB-QMMMGPOBSA-N 1 1 189.262 1.591 10 0 ADAEMO CN[C@H](C1CCC1)[C@@H]1CCC[NH2+]1 259499331 573545205 /nfs/dbraw/zinc/54/52/05/573545205.db2.gz RXWLUKQCNZLNJZ-VHSXEESVSA-N 1 1 168.284 1.127 10 0 ADAEMO COC(=O)[C@@H]([NH3+])C[C@H](C)CC(F)F 688725252 573545247 /nfs/dbraw/zinc/54/52/47/573545247.db2.gz FJVBOQNMGAUDLC-WDSKDSINSA-N 1 1 195.209 1.168 10 0 ADAEMO C[C@H]1CC[N@H+]1C1CCC(=O)CC1 86662649 573545372 /nfs/dbraw/zinc/54/53/72/573545372.db2.gz JQXVTPZIWUOXQS-QMMMGPOBSA-N 1 1 167.252 1.592 10 0 ADAEMO CCC[C@H]1C[C@H]1c1nc(C[NH3+])no1 393667113 573545790 /nfs/dbraw/zinc/54/57/90/573545790.db2.gz MLUSFDRBRCXURG-NKWVEPMBSA-N 1 1 181.239 1.432 10 0 ADAEMO C[C@@H]1CC[N@H+]1C1CCC(=O)CC1 86662648 573549069 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ADAEMO CCOC(=O)C[C@@H]1CCC[N@@H+](C)[C@@H]1C 259502223 573547002 /nfs/dbraw/zinc/54/70/02/573547002.db2.gz AXFZRTFRIYCNQD-ZJUUUORDSA-N 1 1 199.294 1.670 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1c1csc(N)n1 258062885 573547010 /nfs/dbraw/zinc/54/70/10/573547010.db2.gz KVDBLEGRRPWWAO-MRVPVSSYSA-N 1 1 197.307 1.882 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1csc(N)n1 258062885 573547018 /nfs/dbraw/zinc/54/70/18/573547018.db2.gz KVDBLEGRRPWWAO-MRVPVSSYSA-N 1 1 197.307 1.882 10 0 ADAEMO [NH3+]Cc1ncc([C@H]2CCCCO2)o1 83554418 573547094 /nfs/dbraw/zinc/54/70/94/573547094.db2.gz UOTCBKPRPUMADE-SSDOTTSWSA-N 1 1 182.223 1.375 10 0 ADAEMO CC[C@@H](C)c1cnc(C[NH3+])o1 83554468 573547247 /nfs/dbraw/zinc/54/72/47/573547247.db2.gz NONBJQBYSVSXJE-ZCFIWIBFSA-N 1 1 154.213 1.647 10 0 ADAEMO C[NH2+]CC(F)(F)C[C@@H]1CCCCO1 257825762 573547317 /nfs/dbraw/zinc/54/73/17/573547317.db2.gz HHGVGSMTXPYQEO-QMMMGPOBSA-N 1 1 193.237 1.800 10 0 ADAEMO C[NH2+]CNc1ccc(Cl)s1 258770374 573549122 /nfs/dbraw/zinc/54/91/22/573549122.db2.gz ATDWNESCLJZWEQ-UHFFFAOYSA-N 1 1 176.672 1.990 10 0 ADAEMO CO[C@H](C)C[N@@H+](C)C[C@@H]1CCCC1=O 308619547 573547350 /nfs/dbraw/zinc/54/73/50/573547350.db2.gz SORUSVNBDYZFOI-ZJUUUORDSA-N 1 1 199.294 1.322 10 0 ADAEMO [NH3+]Cc1ncc(CC2CC2)o1 83554415 573547370 /nfs/dbraw/zinc/54/73/70/573547370.db2.gz IHHZKRKPLFAJOX-UHFFFAOYSA-N 1 1 152.197 1.086 10 0 ADAEMO C[C@H]1CCC[N@H+]1C1CCC(=O)CC1 86662595 573547405 /nfs/dbraw/zinc/54/74/05/573547405.db2.gz OXAADLRWHONROR-VIFPVBQESA-N 1 1 181.279 1.982 10 0 ADAEMO [NH3+][C@H](C(F)F)[C@@H]1CCc2cccnc21 236310314 573547423 /nfs/dbraw/zinc/54/74/23/573547423.db2.gz WKHYSEFZLQTUAX-YUMQZZPRSA-N 1 1 198.216 1.704 10 0 ADAEMO Cc1ccnc(N)c1C1=C[C@H]([NH3+])CC1 83548243 573547550 /nfs/dbraw/zinc/54/75/50/573547550.db2.gz JJNVFSDCIHSYJA-SECBINFHSA-N 1 1 189.262 1.477 10 0 ADAEMO CCOc1ccc(C(NC)[NH2+]C)cc1 259118222 573547571 /nfs/dbraw/zinc/54/75/71/573547571.db2.gz BCJYFAAVNHHHRD-UHFFFAOYSA-N 1 1 194.278 1.523 10 0 ADAEMO CCOC(=O)C[C@@H]1CCC[N@@H+](C)[C@H]1C 259502218 573547616 /nfs/dbraw/zinc/54/76/16/573547616.db2.gz AXFZRTFRIYCNQD-UWVGGRQHSA-N 1 1 199.294 1.670 10 0 ADAEMO [NH3+][C@@H](C1=CCCCCC1)c1nnc[nH]1 236305480 573547652 /nfs/dbraw/zinc/54/76/52/573547652.db2.gz NYOKSHJKQQPNKY-VIFPVBQESA-N 1 1 192.266 1.695 10 0 ADAEMO CCc1[nH]c(CC[NH3+])nc1C1CCC1 257825851 573547693 /nfs/dbraw/zinc/54/76/93/573547693.db2.gz HKBBKNFSNIKPOD-UHFFFAOYSA-N 1 1 193.294 1.741 10 0 ADAEMO CC(C)(C)Cc1cnc(C[NH3+])o1 83554487 573547865 /nfs/dbraw/zinc/54/78/65/573547865.db2.gz CNGYYRONIPUITA-UHFFFAOYSA-N 1 1 168.240 1.722 10 0 ADAEMO C[C@@H]1CC[C@@H](C)[C@@H](NC2=[NH+]CCO2)C1 238436371 573549032 /nfs/dbraw/zinc/54/90/32/573549032.db2.gz TZIZJRZHXVVVED-BBBLOLIVSA-N 1 1 196.294 1.787 10 0 ADAEMO C[C@@H]1CCC[N@H+]1C1CCC(=O)CC1 86662594 573547909 /nfs/dbraw/zinc/54/79/09/573547909.db2.gz OXAADLRWHONROR-SECBINFHSA-N 1 1 181.279 1.982 10 0 ADAEMO C[C@H]1C[C@@H]1c1cnc(C[NH3+])o1 83554435 573548009 /nfs/dbraw/zinc/54/80/09/573548009.db2.gz GVBHPTLLJVPPGQ-WDSKDSINSA-N 1 1 152.197 1.257 10 0 ADAEMO [NH3+][C@@H](C1=CCCCC1)c1ncccn1 236304938 573548035 /nfs/dbraw/zinc/54/80/35/573548035.db2.gz WWEAKCXYIWASCB-JTQLQIEISA-N 1 1 189.262 1.977 10 0 ADAEMO CN(C(=O)S)[C@H]1CCC[N@@H+](C)C1 258770776 573549137 /nfs/dbraw/zinc/54/91/37/573549137.db2.gz XAZHXDLMTJLZEU-ZETCQYMHSA-N 1 1 188.296 1.062 10 0 ADAEMO CCOCCC[N@@H+](C)C(C)(C)CN 83550285 573548091 /nfs/dbraw/zinc/54/80/91/573548091.db2.gz FENIZFJHZAEMEH-UHFFFAOYSA-N 1 1 188.315 1.082 10 0 ADAEMO CCOCCCN(C)C(C)(C)C[NH3+] 83550285 573548098 /nfs/dbraw/zinc/54/80/98/573548098.db2.gz FENIZFJHZAEMEH-UHFFFAOYSA-N 1 1 188.315 1.082 10 0 ADAEMO CCCCc1cnc(C[NH3+])o1 83554474 573548129 /nfs/dbraw/zinc/54/81/29/573548129.db2.gz RVTIFUHMDSHJRC-UHFFFAOYSA-N 1 1 154.213 1.476 10 0 ADAEMO C[C@@H]1C[C@H]1c1cnc(C[NH3+])o1 83554436 573548181 /nfs/dbraw/zinc/54/81/81/573548181.db2.gz GVBHPTLLJVPPGQ-PHDIDXHHSA-N 1 1 152.197 1.257 10 0 ADAEMO [NH3+]Cc1ncc([C@@H]2CCCOC2)o1 83554522 573548219 /nfs/dbraw/zinc/54/82/19/573548219.db2.gz QGBOQHZAFIIVEY-SSDOTTSWSA-N 1 1 182.223 1.027 10 0 ADAEMO C[C@H](O)[C@H](F)[C@@H]1CCC[N@@H+](C)C1 257826004 573548255 /nfs/dbraw/zinc/54/82/55/573548255.db2.gz HIRGQSWDOYEROY-YIZRAAEISA-N 1 1 175.247 1.047 10 0 ADAEMO [NH3+]CC(=O)c1cc(F)c(F)c(F)c1 83553863 573548262 /nfs/dbraw/zinc/54/82/62/573548262.db2.gz HHVQNWDPRVUOBR-UHFFFAOYSA-N 1 1 189.136 1.245 10 0 ADAEMO COC(=O)[C@@H](C1CCC1)[N@@H+](C)C1CC1 259119703 573549046 /nfs/dbraw/zinc/54/90/46/573549046.db2.gz RQOYCCQOPVRNOL-SNVBAGLBSA-N 1 1 197.278 1.422 10 0 ADAEMO C[C@H]1C[C@H]1c1cnc(C[NH3+])o1 83554437 573548410 /nfs/dbraw/zinc/54/84/10/573548410.db2.gz GVBHPTLLJVPPGQ-NTSWFWBYSA-N 1 1 152.197 1.257 10 0 ADAEMO CCC(C)(C)c1cnc(C[NH3+])o1 83554521 573548438 /nfs/dbraw/zinc/54/84/38/573548438.db2.gz DTLSWXNTGAEAEZ-UHFFFAOYSA-N 1 1 168.240 1.821 10 0 ADAEMO Cc1c[nH+]c(N)c(C2=C[C@@H](O)CC2)c1 83548781 573548480 /nfs/dbraw/zinc/54/84/80/573548480.db2.gz IONPABLUDGFPEJ-VIFPVBQESA-N 1 1 190.246 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ADAEMO [NH3+]Cc1ncc([C@H]2CCCOC2)o1 83554523 573549005 /nfs/dbraw/zinc/54/90/05/573549005.db2.gz QGBOQHZAFIIVEY-ZETCQYMHSA-N 1 1 182.223 1.027 10 0 ADAEMO COC(=O)[C@H](C1CCC1)[N@@H+](C)C1CC1 259119698 573549011 /nfs/dbraw/zinc/54/90/11/573549011.db2.gz RQOYCCQOPVRNOL-JTQLQIEISA-N 1 1 197.278 1.422 10 0 ADAEMO C[C@@H]([C@@H]1CCC[NH2+]C1)N1CC(C)(C)C1 86663355 573550607 /nfs/dbraw/zinc/55/06/07/573550607.db2.gz QKBIDBYFZIFWGL-WDEREUQCSA-N 1 1 196.338 1.716 10 0 ADAEMO CN[C@H](c1ccc(C)cc1)C1C[NH2+]C1 259120823 573550619 /nfs/dbraw/zinc/55/06/19/573550619.db2.gz BFVNJMLESKLJNG-GFCCVEGCSA-N 1 1 190.290 1.475 10 0 ADAEMO C[C@H]([NH3+])c1ncc(-c2ccnn2C)o1 83554553 573550717 /nfs/dbraw/zinc/55/07/17/573550717.db2.gz OACSNUJYVIDRHT-LURJTMIESA-N 1 1 192.222 1.095 10 0 ADAEMO C[N@H+]1CCCC[C@]1(CN)C1CCCC1 258773648 573551743 /nfs/dbraw/zinc/55/17/43/573551743.db2.gz QXAVPENKRVZKGG-LBPRGKRZSA-N 1 1 196.338 1.990 10 0 ADAEMO CCC1CN([C@@H]2CCCC[C@H]2[NH3+])C1 86663144 573551746 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1.450 10 0 ADAEMO C[C@@H]([NH3+])c1ncc([C@@H]2CCCO2)o1 83554678 573550422 /nfs/dbraw/zinc/55/04/22/573550422.db2.gz NVUMKRUDGLYYOO-RQJHMYQMSA-N 1 1 182.223 1.546 10 0 ADAEMO COC(=O)[C@H]([NH3+])CCCC1CCC1 259122126 573550476 /nfs/dbraw/zinc/55/04/76/573550476.db2.gz RWZOIAPKPPFFFH-SECBINFHSA-N 1 1 185.267 1.457 10 0 ADAEMO C[C@@H]1CCN1[C@@H]1CCCC[C@@H]1[NH3+] 86663154 573550477 /nfs/dbraw/zinc/55/04/77/573550477.db2.gz QQCXDTONDCLBRY-KXUCPTDWSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H]([NH3+])c1ncc(C[C@@H]2CCCO2)o1 83554710 573550478 /nfs/dbraw/zinc/55/04/78/573550478.db2.gz REOODDOPCZZBMB-SFYZADRCSA-N 1 1 196.250 1.416 10 0 ADAEMO C[N@@H+](CCc1ccc[nH]1)CC(C)(C)O 258769574 573550491 /nfs/dbraw/zinc/55/04/91/573550491.db2.gz HPAQSCHAFXGXOC-UHFFFAOYSA-N 1 1 196.294 1.260 10 0 ADAEMO C[C@H]1C(=O)CC[N@@H+]2CCCC[C@@H]12 238437689 573550502 /nfs/dbraw/zinc/55/05/02/573550502.db2.gz NDEKFCDHISCDEB-BDAKNGLRSA-N 1 1 167.252 1.450 10 0 ADAEMO CCCc1cnc([C@H](C)[NH3+])o1 83554575 573550587 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182.223 1.198 10 0 ADAEMO C[C@@H]([NH3+])c1ncc(C(C)(C)C)o1 83554540 573554008 /nfs/dbraw/zinc/55/40/08/573554008.db2.gz PWYMGTNTLQHBAR-ZCFIWIBFSA-N 1 1 168.240 1.992 10 0 ADAEMO C[C@H]([NH3+])c1ncc(C2CCC2)o1 83554697 573554053 /nfs/dbraw/zinc/55/40/53/573554053.db2.gz WBWCZYVFSSZUQS-LURJTMIESA-N 1 1 166.224 1.962 10 0 ADAEMO CN(C)c1c(C[NH3+])noc1C1CC1 75397754 573554095 /nfs/dbraw/zinc/55/40/95/573554095.db2.gz WYNADDZTIRSSFE-UHFFFAOYSA-N 1 1 181.239 1.077 10 0 ADAEMO CCOC(=O)[C@]12CCC[N@H+]1[C@H](C)CC2 259506604 573554591 /nfs/dbraw/zinc/55/45/91/573554591.db2.gz BJIJSLBBQSRJSR-MWLCHTKSSA-N 1 1 197.278 1.566 10 0 ADAEMO C[C@H]([NH3+])c1ncc([C@H]2CCOC2)o1 83554543 573554113 /nfs/dbraw/zinc/55/41/13/573554113.db2.gz OYWDNNPWQFKHLQ-BQBZGAKWSA-N 1 1 182.223 1.198 10 0 ADAEMO CO[C@H](C)CNc1ccc(N)[nH+]c1 223670540 573554137 /nfs/dbraw/zinc/55/41/37/573554137.db2.gz OIFSQZUBGRCUBK-SSDOTTSWSA-N 1 1 181.239 1.111 10 0 ADAEMO C[C@H]([NH3+])c1ncc(C2CCOCC2)o1 83554609 573554146 /nfs/dbraw/zinc/55/41/46/573554146.db2.gz LYLYTEPIMTXMRP-ZETCQYMHSA-N 1 1 196.250 1.588 10 0 ADAEMO c1ncc2c(n1)C[N@@H+](C1CCCC1)C2 585332069 573554155 /nfs/dbraw/zinc/55/41/55/573554155.db2.gz FCMJAHHAOKRVSJ-UHFFFAOYSA-N 1 1 189.262 1.735 10 0 ADAEMO CN1CC[N@@H+](C)C[C@@]1(C)c1ccc[nH]1 259119981 573554193 /nfs/dbraw/zinc/55/41/93/573554193.db2.gz RSRZELBUTUBCSD-NSHDSACASA-N 1 1 193.294 1.107 10 0 ADAEMO CC(C)C1CN([C@H]2CCCC[C@@H]2[NH3+])C1 86663165 573554595 /nfs/dbraw/zinc/55/45/95/573554595.db2.gz GMTKBONYJWTACT-RYUDHWBXSA-N 1 1 196.338 1.844 10 0 ADAEMO CCC(=O)c1[nH]c(C)nc1C 197041630 573554280 /nfs/dbraw/zinc/55/42/80/573554280.db2.gz RDTFBIAERJPNCG-UHFFFAOYSA-N 1 1 152.197 1.619 10 0 ADAEMO [NH3+]CCCN1CC2(CCCCC2)C1 86663366 573554294 /nfs/dbraw/zinc/55/42/94/573554294.db2.gz IEKZHCDOOXEJBZ-UHFFFAOYSA-N 1 1 182.311 1.601 10 0 ADAEMO C[C@@H]([NH3+])c1ncc(C2CCOCC2)o1 83554610 573554298 /nfs/dbraw/zinc/55/42/98/573554298.db2.gz LYLYTEPIMTXMRP-SSDOTTSWSA-N 1 1 196.250 1.588 10 0 ADAEMO C[C@@H]([NH3+])c1ncc([C@H]2CCCOC2)o1 83554742 573554312 /nfs/dbraw/zinc/55/43/12/573554312.db2.gz PMNQGXUSULQLAJ-SFYZADRCSA-N 1 1 196.250 1.588 10 0 ADAEMO CC(C)Cc1cnc([C@@H](C)[NH3+])o1 83554645 573554321 /nfs/dbraw/zinc/55/43/21/573554321.db2.gz KCSGGAPQGPEUKS-SSDOTTSWSA-N 1 1 168.240 1.893 10 0 ADAEMO CSCC[C@H]([NH3+])[C@H]1CCN(C)C1 259111966 573554600 /nfs/dbraw/zinc/55/46/00/573554600.db2.gz KPHSJEVGNJJARN-IUCAKERBSA-N 1 1 188.340 1.019 10 0 ADAEMO C[N@H+]1CCC[C@@](CO)(C2CCCC2)C1 258773457 573554437 /nfs/dbraw/zinc/55/44/37/573554437.db2.gz LKSOEMBOOVJLFK-GFCCVEGCSA-N 1 1 197.322 1.881 10 0 ADAEMO CC(C)C1C[NH+]([C@H]2CCCC[C@@H]2N)C1 86663165 573554603 /nfs/dbraw/zinc/55/46/03/573554603.db2.gz GMTKBONYJWTACT-RYUDHWBXSA-N 1 1 196.338 1.844 10 0 ADAEMO CCn1ccnc1N[C@@H](C[NH3+])C(C)C 83569130 573554448 /nfs/dbraw/zinc/55/44/48/573554448.db2.gz ULWQLDYUUUCVOT-VIFPVBQESA-N 1 1 196.298 1.298 10 0 ADAEMO CCCC1CN(C2CC([NH3+])C2)C1 86662776 573554467 /nfs/dbraw/zinc/55/44/67/573554467.db2.gz HVMLGLDSGFJQFO-UHFFFAOYSA-N 1 1 168.284 1.208 10 0 ADAEMO COC(=O)CC[C@@H]1CCC[N@@H+](C)[C@H]1C 259505293 573554517 /nfs/dbraw/zinc/55/45/17/573554517.db2.gz BEYYVWNCLGFXRL-UWVGGRQHSA-N 1 1 199.294 1.670 10 0 ADAEMO CN1CC[N@@H+](C)C[C@]1(C)c1ccc[nH]1 259119978 573555560 /nfs/dbraw/zinc/55/55/60/573555560.db2.gz RSRZELBUTUBCSD-LLVKDONJSA-N 1 1 193.294 1.107 10 0 ADAEMO CC(C)[C@@H](CN)[NH+]1CC(C)(C)C1 86679802 573562413 /nfs/dbraw/zinc/56/24/13/573562413.db2.gz VVCAJNKXBYDUKG-SECBINFHSA-N 1 1 170.300 1.312 10 0 ADAEMO CC(=O)[C@H]1CCCC[N@H+](C)C1 107399133 573563382 /nfs/dbraw/zinc/56/33/82/573563382.db2.gz LGIOAMXEUHFOLO-VIFPVBQESA-N 1 1 155.241 1.307 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1C(C)(C)CN 259505144 573556593 /nfs/dbraw/zinc/55/65/93/573556593.db2.gz RCZQUFTVJXCYJL-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1C(C)(C)CN 259505144 573556597 /nfs/dbraw/zinc/55/65/97/573556597.db2.gz RCZQUFTVJXCYJL-SECBINFHSA-N 1 1 170.300 1.456 10 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/nfs/dbraw/zinc/55/73/10/573557310.db2.gz AGFCKAHUTYTBSH-BDAKNGLRSA-N 1 1 157.257 1.099 10 0 ADAEMO C[C@H]1CCN[C@H](c2ccccc2)[NH2+]1 238438930 573557406 /nfs/dbraw/zinc/55/74/06/573557406.db2.gz HHEGNOULRWVFSD-ONGXEEELSA-N 1 1 176.263 1.657 10 0 ADAEMO CCc1ccc([C@@H](NC)[C@@H](C)[NH3+])cc1 259505721 573557418 /nfs/dbraw/zinc/55/74/18/573557418.db2.gz REYKNWXQNXBOTE-SKDRFNHKSA-N 1 1 192.306 1.857 10 0 ADAEMO COc1csc([C@@H]2CC[N@@H+](C)C2)n1 259112302 573557434 /nfs/dbraw/zinc/55/74/34/573557434.db2.gz BFRUFANWHXBJKI-SSDOTTSWSA-N 1 1 198.291 1.571 10 0 ADAEMO CCC1C[NH+]([C@@H](CC)CN)C1 86679625 573557508 /nfs/dbraw/zinc/55/75/08/573557508.db2.gz NJSXOLJWBKPFNY-VIFPVBQESA-N 1 1 156.273 1.066 10 0 ADAEMO [NH3+]C1(c2nc(C(F)(F)F)co2)CC1 257830720 573557555 /nfs/dbraw/zinc/55/75/55/573557555.db2.gz JDPAZWXDIZYBJT-UHFFFAOYSA-N 1 1 192.140 1.641 10 0 ADAEMO CCc1ncc([C@H]2CSCC[NH2+]2)o1 257830369 573557540 /nfs/dbraw/zinc/55/75/40/573557540.db2.gz HFGPFJLSSNMXFT-SSDOTTSWSA-N 1 1 198.291 1.615 10 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/nfs/dbraw/zinc/55/77/85/573557785.db2.gz JHMKWOMIMFRCAY-WDEREUQCSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]([NH3+])CCN1CC(C)(C)C1 86678241 573557875 /nfs/dbraw/zinc/55/78/75/573557875.db2.gz GAYVCEZJJKMOLU-MRVPVSSYSA-N 1 1 156.273 1.066 10 0 ADAEMO COC(=O)[C@@H]1C[N@@H+](C)CC[C@H]1C(C)C 257830858 573557920 /nfs/dbraw/zinc/55/79/20/573557920.db2.gz HINMGTJDJKJQFL-VHSXEESVSA-N 1 1 199.294 1.383 10 0 ADAEMO CC(C)[NH2+][C@@H]1CCCCC[C@H]1N 86678577 573557967 /nfs/dbraw/zinc/55/79/67/573557967.db2.gz AAFRDQFVOVQECU-NXEZZACHSA-N 1 1 170.300 1.644 10 0 ADAEMO Nc1ccc(Cl)cc1C(=O)C[NH3+] 257830593 573557994 /nfs/dbraw/zinc/55/79/94/573557994.db2.gz JHYCPRVWSWBPGL-UHFFFAOYSA-N 1 1 184.626 1.064 10 0 ADAEMO CC(C)[C@H](CN)[NH+]1CC2(CCC2)C1 86679783 573558025 /nfs/dbraw/zinc/55/80/25/573558025.db2.gz WTBYMAXTLKYBKF-JTQLQIEISA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]([NH3+])CCc1ccc(N)c(S)c1 259508160 573558041 /nfs/dbraw/zinc/55/80/41/573558041.db2.gz OPFWUGGJGCZFDQ-ZETCQYMHSA-N 1 1 196.319 1.837 10 0 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AAFRDQFVOVQECU-UWVGGRQHSA-N 1 1 170.300 1.644 10 0 ADAEMO CC1(C)CC[C@H]1[NH2+]C[C@@](C)(N)C1CC1 308620222 573558332 /nfs/dbraw/zinc/55/83/32/573558332.db2.gz SUXBCIKMQGVCGG-ZYHUDNBSSA-N 1 1 196.338 1.892 10 0 ADAEMO C[C@H]([NH3+])CCN1CC(C)(C)C1 86678240 573558344 /nfs/dbraw/zinc/55/83/44/573558344.db2.gz GAYVCEZJJKMOLU-QMMMGPOBSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@H](C)[C@H]([NH3+])[C@H](N)[C@@H](C)CC 238267713 573558361 /nfs/dbraw/zinc/55/83/61/573558361.db2.gz WBIOUHDZRSORFJ-AATLWQCWSA-N 1 1 172.316 1.733 10 0 ADAEMO CC[C@H](C)[C@H](N)[C@H]([NH3+])[C@@H](C)CC 238267713 573558367 /nfs/dbraw/zinc/55/83/67/573558367.db2.gz WBIOUHDZRSORFJ-AATLWQCWSA-N 1 1 172.316 1.733 10 0 ADAEMO [NH3+]C[C@H](NC1CCC1)c1ccccc1 257830715 573558456 /nfs/dbraw/zinc/55/84/56/573558456.db2.gz JDLKPDIZOIJUIH-LBPRGKRZSA-N 1 1 190.290 1.829 10 0 ADAEMO C[C@@H]1CCN1c1ccc(N)[nH+]c1 86678002 573558516 /nfs/dbraw/zinc/55/85/16/573558516.db2.gz BZTKIVSGZVSNTB-SSDOTTSWSA-N 1 1 163.224 1.262 10 0 ADAEMO Cn1ccc([C@@H]([NH3+])c2cccs2)n1 83573273 573558588 /nfs/dbraw/zinc/55/85/88/573558588.db2.gz RWCOGHKPVICTCT-SECBINFHSA-N 1 1 193.275 1.530 10 0 ADAEMO CCC[C@H](CN)[N@@H+]1CC[C@@H]1C 86679703 573558599 /nfs/dbraw/zinc/55/85/99/573558599.db2.gz GAZGVMAFJMNVTJ-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H](CN)[N@H+]1CC[C@@H]1C 86679703 573558604 /nfs/dbraw/zinc/55/86/04/573558604.db2.gz GAZGVMAFJMNVTJ-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@H]1CC[N@@H+]1C[C@H](N)c1ccccc1 86678057 573558656 /nfs/dbraw/zinc/55/86/56/573558656.db2.gz SYNTVWMAQHLEHZ-JQWIXIFHSA-N 1 1 190.290 1.781 10 0 ADAEMO C[C@H]1CC[N@H+]1C[C@H](N)c1ccccc1 86678057 573558660 /nfs/dbraw/zinc/55/86/60/573558660.db2.gz SYNTVWMAQHLEHZ-JQWIXIFHSA-N 1 1 190.290 1.781 10 0 ADAEMO Cn1c(-c2ccccc2)nc2c1C[NH2+]C2 82383695 573558671 /nfs/dbraw/zinc/55/86/71/573558671.db2.gz PLUNMOBRYLCQRQ-UHFFFAOYSA-N 1 1 199.257 1.690 10 0 ADAEMO NC[C@@H](C1CC1)[NH+]1CC2(CCCC2)C1 86679576 573558714 /nfs/dbraw/zinc/55/87/14/573558714.db2.gz WOGLMQAIAMUGTA-NSHDSACASA-N 1 1 194.322 1.600 10 0 ADAEMO CC(C)[C@@H](CN)[NH+]1CC2(CCCC2)C1 86679768 573558744 /nfs/dbraw/zinc/55/87/44/573558744.db2.gz BNIKZAGYEWPJAV-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1N 86678327 573558790 /nfs/dbraw/zinc/55/87/90/573558790.db2.gz MBUHVDFUKFGRQA-CIUDSAMLSA-N 1 1 156.273 1.254 10 0 ADAEMO Cc1cccc(-n2cc3c(n2)C[NH2+]C3)c1 82383748 573558797 /nfs/dbraw/zinc/55/87/97/573558797.db2.gz BKADZJKYNZZAMO-UHFFFAOYSA-N 1 1 199.257 1.784 10 0 ADAEMO CCC[C@@H](C)CN1CC2=C(C[NH2+]C2)C1 308620239 573558897 /nfs/dbraw/zinc/55/88/97/573558897.db2.gz SVQHMYLUQOSTMU-SNVBAGLBSA-N 1 1 194.322 1.638 10 0 ADAEMO C[C@@H](CN)[NH+]1CC(C(C)(C)C)C1 86678907 573558932 /nfs/dbraw/zinc/55/89/32/573558932.db2.gz PWJTVHOZIYOBAK-QMMMGPOBSA-N 1 1 170.300 1.312 10 0 ADAEMO CCC1CN(c2ccc(N)[nH+]c2)C1 86677996 573558989 /nfs/dbraw/zinc/55/89/89/573558989.db2.gz LUPNCKRBIDCVFO-UHFFFAOYSA-N 1 1 177.251 1.510 10 0 ADAEMO CC(=O)CCC1=CC[N@@H+](C)CC1 258059540 573559004 /nfs/dbraw/zinc/55/90/04/573559004.db2.gz LRFFFRWMXFGJQB-UHFFFAOYSA-N 1 1 167.252 1.618 10 0 ADAEMO CC(C)[C@H](CN)[N@H+]1CC[C@H]1C 86679763 573559048 /nfs/dbraw/zinc/55/90/48/573559048.db2.gz AJIXUHWNPDUBMF-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO COC(=O)[C@@H]1C[N@@H+](C)CC[C@@H]1C(C)C 257830856 573559062 /nfs/dbraw/zinc/55/90/62/573559062.db2.gz HINMGTJDJKJQFL-NXEZZACHSA-N 1 1 199.294 1.383 10 0 ADAEMO CC(C)[C@H](C[NH3+])N1CC[C@H]1C 86679763 573559069 /nfs/dbraw/zinc/55/90/69/573559069.db2.gz AJIXUHWNPDUBMF-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO C[N@@H+]1CC[C@H]([C@@]2(C)[NH2+]C(C)(C)CO2)C1 258781406 573559161 /nfs/dbraw/zinc/55/91/61/573559161.db2.gz XFFNNHSJYUKWHA-ONGXEEELSA-N 1 1 198.310 1.053 10 0 ADAEMO CC1CN(c2ccc(N)[nH+]c2)C1 86677998 573559195 /nfs/dbraw/zinc/55/91/95/573559195.db2.gz OKLIEGCIVWTOOG-UHFFFAOYSA-N 1 1 163.224 1.120 10 0 ADAEMO CCc1ncc([C@@H]2CSCC[NH2+]2)o1 257830370 573559212 /nfs/dbraw/zinc/55/92/12/573559212.db2.gz HFGPFJLSSNMXFT-ZETCQYMHSA-N 1 1 198.291 1.615 10 0 ADAEMO COc1csc([C@H]2CC[N@@H+](C)C2)n1 259112305 573559246 /nfs/dbraw/zinc/55/92/46/573559246.db2.gz BFRUFANWHXBJKI-ZETCQYMHSA-N 1 1 198.291 1.571 10 0 ADAEMO CCOC(=O)[C@@]12CCC[N@H+]1[C@H](C)CC2 259506603 573559324 /nfs/dbraw/zinc/55/93/24/573559324.db2.gz BJIJSLBBQSRJSR-KOLCDFICSA-N 1 1 197.278 1.566 10 0 ADAEMO NCC1([NH+]2CC3(CC3)C2)CCCC1 86679181 573559352 /nfs/dbraw/zinc/55/93/52/573559352.db2.gz DAPNOVCASQPOQR-UHFFFAOYSA-N 1 1 180.295 1.354 10 0 ADAEMO C[C@H]1CCN1c1ccc(N)[nH+]c1 86678003 573561056 /nfs/dbraw/zinc/56/10/56/573561056.db2.gz BZTKIVSGZVSNTB-ZETCQYMHSA-N 1 1 163.224 1.262 10 0 ADAEMO CC(C)(C)CCCOC(=O)C1([NH3+])CC1 308623204 573561000 /nfs/dbraw/zinc/56/10/00/573561000.db2.gz YAULFBRQGSXZIA-UHFFFAOYSA-N 1 1 199.294 1.847 10 0 ADAEMO C[C@H]1CC[N@@H+]1C1(CN)CCCC1 86679169 573560776 /nfs/dbraw/zinc/56/07/76/573560776.db2.gz VUMPZKFHUAOGJH-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@H]1CC[N@H+]1C1(CN)CCCC1 86679169 573560783 /nfs/dbraw/zinc/56/07/83/573560783.db2.gz VUMPZKFHUAOGJH-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO C[N@@H+]1CC[C@H](C2CCCC2)[C@H]1C[NH3+] 257830567 573560848 /nfs/dbraw/zinc/56/08/48/573560848.db2.gz JHMKWOMIMFRCAY-GHMZBOCLSA-N 1 1 182.311 1.456 10 0 ADAEMO CC(C)(C)C1C[NH+](C(C)(C)CN)C1 86678109 573560868 /nfs/dbraw/zinc/56/08/68/573560868.db2.gz QJTYCMDVDIHREK-UHFFFAOYSA-N 1 1 184.327 1.702 10 0 ADAEMO C[N@@H+]1CC[C@H](C2CCCC2)[C@@H]1C[NH3+] 257830568 573560916 /nfs/dbraw/zinc/56/09/16/573560916.db2.gz JHMKWOMIMFRCAY-MNOVXSKESA-N 1 1 182.311 1.456 10 0 ADAEMO Cn1ccc([C@H]([NH3+])c2ccoc2)n1 83573578 573560929 /nfs/dbraw/zinc/56/09/29/573560929.db2.gz DSZYTSHDPGVCRW-SECBINFHSA-N 1 1 177.207 1.061 10 0 ADAEMO CCC1CN([C@H]2CCCCC[C@@H]2[NH3+])C1 86678526 573560980 /nfs/dbraw/zinc/56/09/80/573560980.db2.gz IFYMUEGCOZRFSQ-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO CCC1C[NH+]([C@H]2CCCCC[C@@H]2N)C1 86678526 573560986 /nfs/dbraw/zinc/56/09/86/573560986.db2.gz IFYMUEGCOZRFSQ-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO CO[C@H](C)CC[NH2+]Cc1c[nH]c(C)n1 308621866 573561404 /nfs/dbraw/zinc/56/14/04/573561404.db2.gz UFVHUTYXKDYJHT-MRVPVSSYSA-N 1 1 197.282 1.233 10 0 ADAEMO C[N@@H+]1CC[C@H]([C@]2(C)[NH2+]C(C)(C)CO2)C1 258781372 573561429 /nfs/dbraw/zinc/56/14/29/573561429.db2.gz XFFNNHSJYUKWHA-GXSJLCMTSA-N 1 1 198.310 1.053 10 0 ADAEMO CC(C)C1CN(c2ccc(N)[nH+]c2)C1 86678009 573561454 /nfs/dbraw/zinc/56/14/54/573561454.db2.gz BUNGFAUQGQLALN-UHFFFAOYSA-N 1 1 191.278 1.756 10 0 ADAEMO CC[C@@H](CN)[NH+]1CC2(CCCC2)C1 86679641 573561467 /nfs/dbraw/zinc/56/14/67/573561467.db2.gz YMMXDXQMWNAMCZ-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO CC[N@H+]1C[C@H](C(C)C)[C@@H](CCO)[C@H]1C 308622778 573561477 /nfs/dbraw/zinc/56/14/77/573561477.db2.gz GWISNPCXXDBQKM-GRYCIOLGSA-N 1 1 199.338 1.981 10 0 ADAEMO CC(C)[C@@H](CN)[NH+]1CC2(CCC2)C1 86679781 573561490 /nfs/dbraw/zinc/56/14/90/573561490.db2.gz WTBYMAXTLKYBKF-SNVBAGLBSA-N 1 1 182.311 1.456 10 0 ADAEMO CC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 107399144 573561615 /nfs/dbraw/zinc/56/16/15/573561615.db2.gz BLTLRPQWBFUPPE-APPZFPTMSA-N 1 1 155.241 1.306 10 0 ADAEMO [NH3+]CC(F)(F)c1ccc(Cl)o1 257830955 573561580 /nfs/dbraw/zinc/56/15/80/573561580.db2.gz JTIMBVLUVTYGGU-UHFFFAOYSA-N 1 1 181.569 1.984 10 0 ADAEMO CCC1C[NH+](C2(CN)CCCC2)C1 86679161 573561589 /nfs/dbraw/zinc/56/15/89/573561589.db2.gz ITCIRJPYEDKEFZ-UHFFFAOYSA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H](CC(F)F)C[N@@H+](C)CCN 688725433 573561858 /nfs/dbraw/zinc/56/18/58/573561858.db2.gz DXQAVCBKQXHDDV-SSDOTTSWSA-N 1 1 180.242 1.168 10 0 ADAEMO C[C@H](CC(F)F)CN(C)CC[NH3+] 688725433 573561864 /nfs/dbraw/zinc/56/18/64/573561864.db2.gz DXQAVCBKQXHDDV-SSDOTTSWSA-N 1 1 180.242 1.168 10 0 ADAEMO CC(C)[C@@H](C[NH3+])NCc1cc[nH]c1 258776365 573561914 /nfs/dbraw/zinc/56/19/14/573561914.db2.gz IEBQOWYBJRWXJA-SNVBAGLBSA-N 1 1 181.283 1.088 10 0 ADAEMO CC(C)[C@H](CN)[NH+]1CC2(CCCC2)C1 86679770 573561915 /nfs/dbraw/zinc/56/19/15/573561915.db2.gz BNIKZAGYEWPJAV-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO CC1CN([C@@H]2CCCCC[C@H]2[NH3+])C1 86678535 573561952 /nfs/dbraw/zinc/56/19/52/573561952.db2.gz IRKOODKTQBKQKG-GHMZBOCLSA-N 1 1 182.311 1.598 10 0 ADAEMO Nc1ccc(N2CC3(CCC3)C2)c[nH+]1 86678011 573562006 /nfs/dbraw/zinc/56/20/06/573562006.db2.gz OVEWQMWFSJUMBH-UHFFFAOYSA-N 1 1 189.262 1.654 10 0 ADAEMO CC(C)[C@H](C[NH3+])NCc1cc[nH]c1 258776360 573562024 /nfs/dbraw/zinc/56/20/24/573562024.db2.gz IEBQOWYBJRWXJA-JTQLQIEISA-N 1 1 181.283 1.088 10 0 ADAEMO C[N@@H+]1CC[C@@H]([C@@]2(C)[NH2+]C(C)(C)CO2)C1 258781382 573562058 /nfs/dbraw/zinc/56/20/58/573562058.db2.gz XFFNNHSJYUKWHA-KOLCDFICSA-N 1 1 198.310 1.053 10 0 ADAEMO C[C@H]([NH3+])Cc1[nH]ncc1C1CCCC1 257830454 573562096 /nfs/dbraw/zinc/56/20/96/573562096.db2.gz JMYAUNQUZZTEPX-QMMMGPOBSA-N 1 1 193.294 1.957 10 0 ADAEMO C[C@H]([NH3+])CCN1CC2(CCC2)C1 86678219 573562257 /nfs/dbraw/zinc/56/22/57/573562257.db2.gz AQSQUZBYBVYKJQ-VIFPVBQESA-N 1 1 168.284 1.210 10 0 ADAEMO CC(C)C[C@@H]1SC[C@@H](CO)[N@H+]1C 145139105 573562263 /nfs/dbraw/zinc/56/22/63/573562263.db2.gz XMVMFLVWMLTMAO-BDAKNGLRSA-N 1 1 189.324 1.398 10 0 ADAEMO NCC1([NH+]2CC3(CCC3)C2)CCCC1 86679177 573562398 /nfs/dbraw/zinc/56/23/98/573562398.db2.gz ZMYIVFJOTXCXHY-UHFFFAOYSA-N 1 1 194.322 1.744 10 0 ADAEMO CC[N@H+]1C[C@H](C(C)C)[C@H](CCO)[C@H]1C 308622779 573562432 /nfs/dbraw/zinc/56/24/32/573562432.db2.gz GWISNPCXXDBQKM-IJLUTSLNSA-N 1 1 199.338 1.981 10 0 ADAEMO CC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 107399141 573562436 /nfs/dbraw/zinc/56/24/36/573562436.db2.gz BLTLRPQWBFUPPE-IONNQARKSA-N 1 1 155.241 1.306 10 0 ADAEMO NC[C@H](C1CC1)[NH+]1CC2(CCCC2)C1 86679578 573562448 /nfs/dbraw/zinc/56/24/48/573562448.db2.gz WOGLMQAIAMUGTA-LLVKDONJSA-N 1 1 194.322 1.600 10 0 ADAEMO CC(C)(C)C1CN([C@@H]2CCC[C@H]2[NH3+])C1 86678332 573562569 /nfs/dbraw/zinc/56/25/69/573562569.db2.gz BVAPHWVSUIHXAU-GHMZBOCLSA-N 1 1 196.338 1.844 10 0 ADAEMO CO[C@@H](C)CC[NH2+]Cc1c[nH]c(C)n1 308621868 573562626 /nfs/dbraw/zinc/56/26/26/573562626.db2.gz UFVHUTYXKDYJHT-QMMMGPOBSA-N 1 1 197.282 1.233 10 0 ADAEMO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1N 86678324 573562631 /nfs/dbraw/zinc/56/26/31/573562631.db2.gz MBUHVDFUKFGRQA-XHNCKOQMSA-N 1 1 156.273 1.254 10 0 ADAEMO CC1CN([C@H]2CCCCC[C@@H]2[NH3+])C1 86678533 573562643 /nfs/dbraw/zinc/56/26/43/573562643.db2.gz IRKOODKTQBKQKG-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO CCCc1cn[nH]c1[C@@H](C)[NH3+] 257831615 573562654 /nfs/dbraw/zinc/56/26/54/573562654.db2.gz KDTYQJGHYUVPBR-ZCFIWIBFSA-N 1 1 153.229 1.382 10 0 ADAEMO CC(C)[C@H](CN)[NH+]1CC(C)(C)C1 86679804 573562794 /nfs/dbraw/zinc/56/27/94/573562794.db2.gz VVCAJNKXBYDUKG-VIFPVBQESA-N 1 1 170.300 1.312 10 0 ADAEMO CC[C@H](C)[C@H]([NH3+])[C@H](N)[C@H](C)CC 238267722 573563039 /nfs/dbraw/zinc/56/30/39/573563039.db2.gz WBIOUHDZRSORFJ-YNFQOJQRSA-N 1 1 172.316 1.733 10 0 ADAEMO C[C@H](O)[C@@H](F)C[C@@H]1CCC[N@@H+](C)C1 257831175 573563023 /nfs/dbraw/zinc/56/30/23/573563023.db2.gz JFWFDLDJCBGAOE-GUBZILKMSA-N 1 1 189.274 1.437 10 0 ADAEMO C[C@@H]([NH3+])CCN1CC2(CCC2)C1 86678221 573563035 /nfs/dbraw/zinc/56/30/35/573563035.db2.gz AQSQUZBYBVYKJQ-SECBINFHSA-N 1 1 168.284 1.210 10 0 ADAEMO CC[C@H](C)[C@H](N)[C@H]([NH3+])[C@H](C)CC 238267722 573563042 /nfs/dbraw/zinc/56/30/42/573563042.db2.gz WBIOUHDZRSORFJ-YNFQOJQRSA-N 1 1 172.316 1.733 10 0 ADAEMO C[C@@H]1CC[N@@H+]1C1(CN)CCCC1 86679167 573563108 /nfs/dbraw/zinc/56/31/08/573563108.db2.gz VUMPZKFHUAOGJH-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@@H]1CC[N@H+]1C1(CN)CCCC1 86679167 573563115 /nfs/dbraw/zinc/56/31/15/573563115.db2.gz VUMPZKFHUAOGJH-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC1CN([C@@H]2CCCCC[C@@H]2[NH3+])C1 86678531 573563133 /nfs/dbraw/zinc/56/31/33/573563133.db2.gz IRKOODKTQBKQKG-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CC[C@@H](O)[C@@H](c2ccccc2)C1 145260649 573563281 /nfs/dbraw/zinc/56/32/81/573563281.db2.gz WXNJIUYYKRKABN-VXGBXAGGSA-N 1 1 191.274 1.467 10 0 ADAEMO CC(C)C1C[NH+](C(C)(C)CN)C1 86678105 573563346 /nfs/dbraw/zinc/56/33/46/573563346.db2.gz PCWYASHAWAALHW-UHFFFAOYSA-N 1 1 170.300 1.312 10 0 ADAEMO CC1(C)C[NH+](C2(CN)CCCC2)C1 86679184 573563412 /nfs/dbraw/zinc/56/34/12/573563412.db2.gz ZVINIGSWZDYTPQ-UHFFFAOYSA-N 1 1 182.311 1.600 10 0 ADAEMO CC(C)C[N@H+]1C[C@@H](N)CC1(C)C 258776754 573563444 /nfs/dbraw/zinc/56/34/44/573563444.db2.gz LPOSLJRYOAGNLB-VIFPVBQESA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[N@H+]1C[C@@H](O)CCC1(C)C 259511686 573563462 /nfs/dbraw/zinc/56/34/62/573563462.db2.gz UNRHJHYYHLQCDG-VIFPVBQESA-N 1 1 171.284 1.630 10 0 ADAEMO CO[C@H](C)CNc1[nH+]cccc1C 224335900 573563566 /nfs/dbraw/zinc/56/35/66/573563566.db2.gz ANEHAGPVOOSJSP-SECBINFHSA-N 1 1 180.251 1.837 10 0 ADAEMO CCC1C[NH+](C(C)(C)CN)C1 86678093 573563853 /nfs/dbraw/zinc/56/38/53/573563853.db2.gz MUOZVOCZSIIWPE-UHFFFAOYSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H](CC(F)F)C[N@@H+](C)CCN 688725434 573563866 /nfs/dbraw/zinc/56/38/66/573563866.db2.gz DXQAVCBKQXHDDV-ZETCQYMHSA-N 1 1 180.242 1.168 10 0 ADAEMO CO[C@@H](C)CNc1ccc(C)c[nH+]1 224336081 573563869 /nfs/dbraw/zinc/56/38/69/573563869.db2.gz VPSPIBKZBHYSFK-VIFPVBQESA-N 1 1 180.251 1.837 10 0 ADAEMO C[C@@H](CC(F)F)CN(C)CC[NH3+] 688725434 573563871 /nfs/dbraw/zinc/56/38/71/573563871.db2.gz DXQAVCBKQXHDDV-ZETCQYMHSA-N 1 1 180.242 1.168 10 0 ADAEMO C[C@@H]1CC[N@@H+]1C[C@H](N)c1ccccc1 86678055 573563907 /nfs/dbraw/zinc/56/39/07/573563907.db2.gz SYNTVWMAQHLEHZ-PWSUYJOCSA-N 1 1 190.290 1.781 10 0 ADAEMO C[C@@H]1CC[N@H+]1C[C@H](N)c1ccccc1 86678055 573563914 /nfs/dbraw/zinc/56/39/14/573563914.db2.gz SYNTVWMAQHLEHZ-PWSUYJOCSA-N 1 1 190.290 1.781 10 0 ADAEMO CCc1[nH]c(CC[NH3+])nc1C(C)C 257831118 573563923 /nfs/dbraw/zinc/56/39/23/573563923.db2.gz JMPUYUBMBDSUES-UHFFFAOYSA-N 1 1 181.283 1.597 10 0 ADAEMO CC(C)C[N@H+]1CCC=C[C@@H]1CN 75414300 573564068 /nfs/dbraw/zinc/56/40/68/573564068.db2.gz DNMLDLYKWPNQCA-SNVBAGLBSA-N 1 1 168.284 1.232 10 0 ADAEMO CC(C)CN1CCC=C[C@@H]1C[NH3+] 75414300 573564083 /nfs/dbraw/zinc/56/40/83/573564083.db2.gz DNMLDLYKWPNQCA-SNVBAGLBSA-N 1 1 168.284 1.232 10 0 ADAEMO COC(=O)C1(C[N@@H+](C)C(C)C)CCC1 259112461 573564098 /nfs/dbraw/zinc/56/40/98/573564098.db2.gz XSOFPMFHDXPDJO-UHFFFAOYSA-N 1 1 199.294 1.670 10 0 ADAEMO Cc1nc(C(C)C)oc1C(=O)C[NH3+] 257831098 573564214 /nfs/dbraw/zinc/56/42/14/573564214.db2.gz JMCYGCSFTQLALX-UHFFFAOYSA-N 1 1 182.223 1.248 10 0 ADAEMO CNC(C)(C)[C@H]([NH2+]C)c1cc[nH]c1 259512092 573564487 /nfs/dbraw/zinc/56/44/87/573564487.db2.gz SVCAJONAQQYLIF-SECBINFHSA-N 1 1 181.283 1.273 10 0 ADAEMO C[C@H](O)[C@H](F)C[C@@H]1CCC[N@@H+](C)C1 257831179 573564297 /nfs/dbraw/zinc/56/42/97/573564297.db2.gz JFWFDLDJCBGAOE-LPEHRKFASA-N 1 1 189.274 1.437 10 0 ADAEMO C[C@H](O)[C@@H](F)C[C@H]1CCC[N@@H+](C)C1 257831173 573564339 /nfs/dbraw/zinc/56/43/39/573564339.db2.gz JFWFDLDJCBGAOE-AEJSXWLSSA-N 1 1 189.274 1.437 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238432199 573564549 /nfs/dbraw/zinc/56/45/49/573564549.db2.gz PTCGYHQIMQCUOG-HKWIRBFKSA-N 1 1 194.322 1.739 10 0 ADAEMO CC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 107399138 573564609 /nfs/dbraw/zinc/56/46/09/573564609.db2.gz BLTLRPQWBFUPPE-VXNVDRBHSA-N 1 1 155.241 1.306 10 0 ADAEMO CC(C)[N@H+]1CCCCN[C@@H](C)C1 259511743 573564940 /nfs/dbraw/zinc/56/49/40/573564940.db2.gz UPCGJYLBMABPTG-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO CC(C)N1CCCC[NH2+][C@@H](C)C1 259511743 573564946 /nfs/dbraw/zinc/56/49/46/573564946.db2.gz UPCGJYLBMABPTG-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO CC(=O)[C@H]1CCC[N@@H+](C)[C@@H]1C 238432347 573565245 /nfs/dbraw/zinc/56/52/45/573565245.db2.gz IVRSCQFPIOPZHA-APPZFPTMSA-N 1 1 155.241 1.306 10 0 ADAEMO CC[C@H](CC[NH3+])[N@H+]1CC[C@@H]1C 86682294 573566172 /nfs/dbraw/zinc/56/61/72/573566172.db2.gz FBEXFBFXIAFDAY-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@H]([NH2+]CC(=O)OCC)C1CC1 388694728 573566337 /nfs/dbraw/zinc/56/63/37/573566337.db2.gz LVWOICNPSAEYNG-JTQLQIEISA-N 1 1 199.294 1.718 10 0 ADAEMO C[C@H](CO)[N@@H+](C)C(C)(C)C 238432706 573566339 /nfs/dbraw/zinc/56/63/39/573566339.db2.gz LTSHSTBIHFNBHP-SSDOTTSWSA-N 1 1 145.246 1.098 10 0 ADAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1C1CCCC1 306652356 573566355 /nfs/dbraw/zinc/56/63/55/573566355.db2.gz GGRDTYVCQUZMJQ-KOLCDFICSA-N 1 1 183.295 1.774 10 0 ADAEMO CC[C@@H]1C[N@@H+](C)CC[C@H]1C(=O)OC 257831138 573566423 /nfs/dbraw/zinc/56/64/23/573566423.db2.gz JNJRBTOAGKUCBC-RKDXNWHRSA-N 1 1 185.267 1.137 10 0 ADAEMO CC(C)C[N@H+]1CCC=C[C@H]1CN 75414302 573566652 /nfs/dbraw/zinc/56/66/52/573566652.db2.gz DNMLDLYKWPNQCA-JTQLQIEISA-N 1 1 168.284 1.232 10 0 ADAEMO CC(C)CN1CCC=C[C@H]1C[NH3+] 75414302 573566664 /nfs/dbraw/zinc/56/66/64/573566664.db2.gz DNMLDLYKWPNQCA-JTQLQIEISA-N 1 1 168.284 1.232 10 0 ADAEMO C[C@H](CO)c1cccc2nc[nH]c12 258064429 573566789 /nfs/dbraw/zinc/56/67/89/573566789.db2.gz TTXHZZYZAJYFCD-SSDOTTSWSA-N 1 1 176.219 1.659 10 0 ADAEMO C[C@H](O)[C@H](F)C[C@H]1CCC[N@@H+](C)C1 257831177 573566793 /nfs/dbraw/zinc/56/67/93/573566793.db2.gz JFWFDLDJCBGAOE-IVZWLZJFSA-N 1 1 189.274 1.437 10 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/nfs/dbraw/zinc/56/78/61/573567861.db2.gz VMXXMHSTZJIRRH-OPRDCNLKSA-N 1 1 199.294 1.572 10 0 ADAEMO CC[C@@H]1CC[C@@H]1[NH2+]CCc1nc[nH]n1 308624858 573567904 /nfs/dbraw/zinc/56/79/04/573567904.db2.gz VMGYQOMSNCMNLK-BDAKNGLRSA-N 1 1 194.282 1.125 10 0 ADAEMO C[N@@H+](Cc1cc(N)n[nH]1)CC(C)(C)C 259112642 573568020 /nfs/dbraw/zinc/56/80/20/573568020.db2.gz AYARKMCFZGNYEU-UHFFFAOYSA-N 1 1 196.298 1.470 10 0 ADAEMO CC1=CC[N@@H+](C[C@@H](C)C(N)=S)CC1 75423282 573568092 /nfs/dbraw/zinc/56/80/92/573568092.db2.gz CSERMUCWZPJMAI-SECBINFHSA-N 1 1 198.335 1.561 10 0 ADAEMO Cc1n[nH]c2c1[C@H]([C@H](C)[NH3+])CC2 107402318 573571036 /nfs/dbraw/zinc/57/10/36/573571036.db2.gz MLPBMHKHHASJFP-FSPLSTOPSA-N 1 1 165.240 1.095 10 0 ADAEMO Cc1ccn2c([C@H](C)O)[nH+]cc2c1 257831846 573569477 /nfs/dbraw/zinc/56/94/77/573569477.db2.gz JTHURINPTFHNRA-QMMMGPOBSA-N 1 1 176.219 1.696 10 0 ADAEMO CC1=CC[N@@H+](CCC(N)=S)CC1 75423270 573569043 /nfs/dbraw/zinc/56/90/43/573569043.db2.gz CCWMWKUGFCLYOD-UHFFFAOYSA-N 1 1 184.308 1.315 10 0 ADAEMO C[C@H]1[C@H](O)CCC[N@H+]1C1CCCC1 306652355 573569226 /nfs/dbraw/zinc/56/92/26/573569226.db2.gz GGRDTYVCQUZMJQ-GXSJLCMTSA-N 1 1 183.295 1.774 10 0 ADAEMO Cc1cc2c(cc1C(=O)C[NH3+])CCO2 75429268 573569248 /nfs/dbraw/zinc/56/92/48/573569248.db2.gz IXYMVQHXCSQKCH-UHFFFAOYSA-N 1 1 191.230 1.071 10 0 ADAEMO C[N@H+]1CCC[C@]1(CN)C1CCCC1 258780973 573569258 /nfs/dbraw/zinc/56/92/58/573569258.db2.gz RJKMNCQBZPOYHU-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO CCOC(=O)[C@H]1[NH2+]CC=C1C(C)C 238270759 573569296 /nfs/dbraw/zinc/56/92/96/573569296.db2.gz NNCWRZLOLFZPHG-VIFPVBQESA-N 1 1 183.251 1.104 10 0 ADAEMO CC[C@@H]1CC[C@H]1[NH2+]CCc1nc[nH]n1 308624861 573569380 /nfs/dbraw/zinc/56/93/80/573569380.db2.gz VMGYQOMSNCMNLK-RKDXNWHRSA-N 1 1 194.282 1.125 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C 308624949 573569390 /nfs/dbraw/zinc/56/93/90/573569390.db2.gz VMXXMHSTZJIRRH-GUBZILKMSA-N 1 1 199.294 1.572 10 0 ADAEMO CC[C@H]1CC[C@@H]1[NH2+]CCc1nc[nH]n1 308624860 573569413 /nfs/dbraw/zinc/56/94/13/573569413.db2.gz VMGYQOMSNCMNLK-IUCAKERBSA-N 1 1 194.282 1.125 10 0 ADAEMO CCc1ccc(C[NH2+]C[C@H](C)N)cc1 258778039 573570497 /nfs/dbraw/zinc/57/04/97/573570497.db2.gz OUFPXTAUNOIMLO-JTQLQIEISA-N 1 1 192.306 1.686 10 0 ADAEMO COC(=O)C[C@@H]1CC[C@H](C)CC[N@H+]1C 259515105 573570500 /nfs/dbraw/zinc/57/05/00/573570500.db2.gz CKJPROOSCDIMDI-UWVGGRQHSA-N 1 1 199.294 1.670 10 0 ADAEMO C[C@H]1[C@@H](CCCO)CCC[N@H+]1C 238444106 573570508 /nfs/dbraw/zinc/57/05/08/573570508.db2.gz QYXXRXCUCJYSOO-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO CC1=CC[N@H+](C2CC[NH2+]CC2)CC1 75423260 573570560 /nfs/dbraw/zinc/57/05/60/573570560.db2.gz SOHMHGHUVXRFGW-UHFFFAOYSA-N 1 1 180.295 1.390 10 0 ADAEMO C[NH2+]CC[C@H](C)[N@@H+]1C[C@H]2CCC[C@H]2C1 126567830 573570566 /nfs/dbraw/zinc/57/05/66/573570566.db2.gz TWHSXIWNONIRKS-SDDRHHMPSA-N 1 1 196.338 1.716 10 0 ADAEMO COC(=O)C[C@H]1CC[C@@H](C)CC[N@H+]1C 259515104 573570568 /nfs/dbraw/zinc/57/05/68/573570568.db2.gz CKJPROOSCDIMDI-NXEZZACHSA-N 1 1 199.294 1.670 10 0 ADAEMO C[N@H+]1CC[C@@](CO)(C2CCCC2)C1 258779606 573570738 /nfs/dbraw/zinc/57/07/38/573570738.db2.gz LWJQNPOZALKGJA-LLVKDONJSA-N 1 1 183.295 1.491 10 0 ADAEMO Cc1ccn2c([C@@H](C)O)[nH+]cc2c1 257831843 573570762 /nfs/dbraw/zinc/57/07/62/573570762.db2.gz JTHURINPTFHNRA-MRVPVSSYSA-N 1 1 176.219 1.696 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C 308624957 573570767 /nfs/dbraw/zinc/57/07/67/573570767.db2.gz VMXXMHSTZJIRRH-LPEHRKFASA-N 1 1 199.294 1.572 10 0 ADAEMO C[C@H]([NH3+])[C@H]1CCCc2cn[nH]c21 107402309 573570771 /nfs/dbraw/zinc/57/07/71/573570771.db2.gz LUHKVYFXNALFAF-POYBYMJQSA-N 1 1 165.240 1.177 10 0 ADAEMO C[C@@H]([NH3+])[C@@H]1CCCc2cn[nH]c21 107402308 573570780 /nfs/dbraw/zinc/57/07/80/573570780.db2.gz LUHKVYFXNALFAF-SVRRBLITSA-N 1 1 165.240 1.177 10 0 ADAEMO N[C@@H](C1CCCC1)[C@@H]1CCCC[NH2+]1 259513203 573570861 /nfs/dbraw/zinc/57/08/61/573570861.db2.gz VGRDMQASZJHARB-QWRGUYRKSA-N 1 1 182.311 1.646 10 0 ADAEMO C[N@H+]1CC[C@](CO)(C2CCCC2)C1 258779611 573570893 /nfs/dbraw/zinc/57/08/93/573570893.db2.gz LWJQNPOZALKGJA-NSHDSACASA-N 1 1 183.295 1.491 10 0 ADAEMO Cc1n[nH]c2c1[C@@H]([C@H](C)[NH3+])CC2 107402315 573570941 /nfs/dbraw/zinc/57/09/41/573570941.db2.gz MLPBMHKHHASJFP-CAHLUQPWSA-N 1 1 165.240 1.095 10 0 ADAEMO [NH3+]CC(=O)c1cc2ccoc2cc1F 75428120 573570948 /nfs/dbraw/zinc/57/09/48/573570948.db2.gz NZHOCAGAFRYMKP-UHFFFAOYSA-N 1 1 193.177 1.713 10 0 ADAEMO C[C@@H]1CCN[C@@H]([C@@H]2CCC[NH2+]2)C1 238433595 573570982 /nfs/dbraw/zinc/57/09/82/573570982.db2.gz CMSQNYZMYMDSNQ-KXUCPTDWSA-N 1 1 168.284 1.127 10 0 ADAEMO CC[N@H+]1C[C@H](CCO)CC1(C)C 259515724 573571077 /nfs/dbraw/zinc/57/10/77/573571077.db2.gz UVOHFGMYXZCWGU-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@H](C[N@@H+]1CC=CCC1)C(N)=S 75423229 573571087 /nfs/dbraw/zinc/57/10/87/573571087.db2.gz AQKICRIFDACOGO-MRVPVSSYSA-N 1 1 184.308 1.171 10 0 ADAEMO C[C@@H]1[C@@H](O)CC[N@H+](C(C)(C)C)[C@@H]1C 238444349 573571396 /nfs/dbraw/zinc/57/13/96/573571396.db2.gz OQMKWBDADAQTDO-AEJSXWLSSA-N 1 1 185.311 1.876 10 0 ADAEMO Cc1cccc([C@@]2(C)[NH2+]CCC2=O)c1 258782906 573571495 /nfs/dbraw/zinc/57/14/95/573571495.db2.gz GAPYKTFHWXTPEM-GFCCVEGCSA-N 1 1 189.258 1.773 10 0 ADAEMO Cc1n[nH]c2c1[C@H]([C@@H](C)[NH3+])CC2 107402312 573571623 /nfs/dbraw/zinc/57/16/23/573571623.db2.gz MLPBMHKHHASJFP-VDTYLAMSSA-N 1 1 165.240 1.095 10 0 ADAEMO C[C@@H]1CC[C@@H]([C@@H]2CCC[NH2+]2)NC1 238443910 573571661 /nfs/dbraw/zinc/57/16/61/573571661.db2.gz WJZGOBXNGPBLLF-UTLUCORTSA-N 1 1 168.284 1.127 10 0 ADAEMO C[N@H+]1Cc2c(n(C3CCC3)[nH]c2=O)C1 257832390 573572752 /nfs/dbraw/zinc/57/27/52/573572752.db2.gz JRQQOJOMRCFODM-UHFFFAOYSA-N 1 1 193.250 1.259 10 0 ADAEMO C[N@@H+]1Cc2c(n(C3CCC3)[nH]c2=O)C1 257832390 573572756 /nfs/dbraw/zinc/57/27/56/573572756.db2.gz JRQQOJOMRCFODM-UHFFFAOYSA-N 1 1 193.250 1.259 10 0 ADAEMO Cc1ccc([C@@H]2NCC[C@@H](C)[NH2+]2)cc1 238433693 573572758 /nfs/dbraw/zinc/57/27/58/573572758.db2.gz KCUVJOHDFBYLOS-ZYHUDNBSSA-N 1 1 190.290 1.965 10 0 ADAEMO CC1(C)CCC[C@H]([NH+]2CC(N)C2)CC1 83634734 573571929 /nfs/dbraw/zinc/57/19/29/573571929.db2.gz GVBJOTVTBOTYSX-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1cccc([C@]2(C)[NH2+]CCC2=O)c1 258782912 573572055 /nfs/dbraw/zinc/57/20/55/573572055.db2.gz GAPYKTFHWXTPEM-LBPRGKRZSA-N 1 1 189.258 1.773 10 0 ADAEMO CC[C@@H]1CCC[C@@H]([NH+]2CC(N)C2)CC1 83634137 573572385 /nfs/dbraw/zinc/57/23/85/573572385.db2.gz NYJMWBCENTUOGZ-ZYHUDNBSSA-N 1 1 196.338 1.988 10 0 ADAEMO N[C@H](C1CCCC1)[C@H]1CCCC[NH2+]1 259513201 573572207 /nfs/dbraw/zinc/57/22/07/573572207.db2.gz VGRDMQASZJHARB-GHMZBOCLSA-N 1 1 182.311 1.646 10 0 ADAEMO C[C@@H]1CCC[C@@H]([NH+]2CC(N)C2)[C@@H]1C 83634928 573572215 /nfs/dbraw/zinc/57/22/15/573572215.db2.gz BAMBVLDPXUFIPW-FXPVBKGRSA-N 1 1 182.311 1.454 10 0 ADAEMO CC(C)C[C@@H](C)[NH+]1CC(N)C1 83634362 573572254 /nfs/dbraw/zinc/57/22/54/573572254.db2.gz JKAZIUVEFYQKRT-MRVPVSSYSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]([NH3+])[C@@H]1CCCc2cn[nH]c21 107402307 573572271 /nfs/dbraw/zinc/57/22/71/573572271.db2.gz LUHKVYFXNALFAF-XPUUQOCRSA-N 1 1 165.240 1.177 10 0 ADAEMO C[C@@H]1CCC[C@H]([NH+]2CC(N)C2)CC1 83634946 573572358 /nfs/dbraw/zinc/57/23/58/573572358.db2.gz DBQNAPOQAPRCBV-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[NH2+]CNc1ccc(F)cc1F 258783036 573572577 /nfs/dbraw/zinc/57/25/77/573572577.db2.gz BTJUIOHBUILJQD-UHFFFAOYSA-N 1 1 172.178 1.554 10 0 ADAEMO C[C@@H]1[C@@H](O)CC[N@H+]2CCCC[C@@H]12 238444434 573572875 /nfs/dbraw/zinc/57/28/75/573572875.db2.gz VEAKXPNNIWDMNN-GUBZILKMSA-N 1 1 169.268 1.242 10 0 ADAEMO CC[C@@H](C)[C@H](C)[NH+]1CC(N)C1 83634244 573574767 /nfs/dbraw/zinc/57/47/67/573574767.db2.gz KBPLFQDLSSIFFB-SFYZADRCSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1[C@]1(C)NCCO1 258792412 573574847 /nfs/dbraw/zinc/57/48/47/573574847.db2.gz XSUPALDRKKPHBC-WDEREUQCSA-N 1 1 198.310 1.195 10 0 ADAEMO C[C@H]1CCC[C@@H]([NH+]2CC(N)C2)CC1 83634952 573573938 /nfs/dbraw/zinc/57/39/38/573573938.db2.gz DBQNAPOQAPRCBV-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]([NH3+])[C@H]1CCCc2cn[nH]c21 107402310 573573989 /nfs/dbraw/zinc/57/39/89/573573989.db2.gz LUHKVYFXNALFAF-HTRCEHHLSA-N 1 1 165.240 1.177 10 0 ADAEMO CC[C@@H]1CCC[C@H]([NH+]2CC(N)C2)CC1 83634132 573574002 /nfs/dbraw/zinc/57/40/02/573574002.db2.gz NYJMWBCENTUOGZ-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(=O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 107403575 573574003 /nfs/dbraw/zinc/57/40/03/573574003.db2.gz JTPYIXGVXPVQDZ-PBINXNQUSA-N 1 1 167.252 1.448 10 0 ADAEMO C1CC1C[N@H+](CC[C@@H]1CO1)C1CC1 393537521 573574042 /nfs/dbraw/zinc/57/40/42/573574042.db2.gz KQFAZJHIVUCUPT-LLVKDONJSA-N 1 1 181.279 1.650 10 0 ADAEMO Cc1ccc([C@H]2CC[N@H+](C)C2)cc1N 257829719 573574198 /nfs/dbraw/zinc/57/41/98/573574198.db2.gz IUPKIMBXESMDLA-NSHDSACASA-N 1 1 190.290 1.996 10 0 ADAEMO C[C@@H]1C[C@H]([NH+]2CC(N)C2)CC(C)(C)C1 83634198 573574095 /nfs/dbraw/zinc/57/40/95/573574095.db2.gz PUXJCYFFIUOVQX-KOLCDFICSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@H]1C[C@H]([NH+]2CC(N)C2)CC(C)(C)C1 83634200 573574213 /nfs/dbraw/zinc/57/42/13/573574213.db2.gz PUXJCYFFIUOVQX-ONGXEEELSA-N 1 1 196.338 1.844 10 0 ADAEMO Cc1n[nH]c2c1[C@@H]([C@@H](C)[NH3+])CC2 107402311 573574214 /nfs/dbraw/zinc/57/42/14/573574214.db2.gz MLPBMHKHHASJFP-IYSWYEEDSA-N 1 1 165.240 1.095 10 0 ADAEMO C[C@H](C1CCCC1)[NH+]1CC(N)C1 83634615 573574811 /nfs/dbraw/zinc/57/48/11/573574811.db2.gz PVOVXOBBGMKCHM-MRVPVSSYSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1CC(=O)[C@H]2CCCC[N@H+]2C1 238444930 573574339 /nfs/dbraw/zinc/57/43/39/573574339.db2.gz CORZKGNKQACBQX-DTWKUNHWSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H]1CC(=O)[C@H]2CCCC[N@@H+]2C1 238444930 573574341 /nfs/dbraw/zinc/57/43/41/573574341.db2.gz CORZKGNKQACBQX-DTWKUNHWSA-N 1 1 167.252 1.450 10 0 ADAEMO CC1(C)CCC[C@@H]([NH+]2CC(N)C2)CC1 83634736 573574363 /nfs/dbraw/zinc/57/43/63/573574363.db2.gz GVBJOTVTBOTYSX-LLVKDONJSA-N 1 1 196.338 1.988 10 0 ADAEMO NC1C[NH+](C2CCCCCCC2)C1 83634649 573574450 /nfs/dbraw/zinc/57/44/50/573574450.db2.gz ITHCUGMODSMFPF-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CC(C)[C@H](C)[N@@H+]1Cc2cncnc2C1 585332263 573574488 /nfs/dbraw/zinc/57/44/88/573574488.db2.gz PBAIDENGTLPLHU-VIFPVBQESA-N 1 1 191.278 1.837 10 0 ADAEMO COC(=O)[C@H]1C[C@H](C2CCCCC2)[NH2+]1 257832401 573574749 /nfs/dbraw/zinc/57/47/49/573574749.db2.gz JSFCYODCAFMQNC-NXEZZACHSA-N 1 1 197.278 1.470 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1Cc2cncnc2C1 585332263 573574492 /nfs/dbraw/zinc/57/44/92/573574492.db2.gz PBAIDENGTLPLHU-VIFPVBQESA-N 1 1 191.278 1.837 10 0 ADAEMO CC1(C)CCC[C@@H]([NH+]2CC(N)C2)C1 83634922 573574750 /nfs/dbraw/zinc/57/47/50/573574750.db2.gz JNBGWHWVBIQJBB-SNVBAGLBSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCC[C@H]([NH+]2CC(N)C2)CC1 83634947 573574529 /nfs/dbraw/zinc/57/45/29/573574529.db2.gz DBQNAPOQAPRCBV-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCC[C@@H]([NH+]2CC(N)C2)CC1 83634949 573574544 /nfs/dbraw/zinc/57/45/44/573574544.db2.gz DBQNAPOQAPRCBV-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCC[C@H]([NH+]2CC(N)C2)[C@@H]1C 83634923 573574591 /nfs/dbraw/zinc/57/45/91/573574591.db2.gz BAMBVLDPXUFIPW-KKZNHRDASA-N 1 1 182.311 1.454 10 0 ADAEMO COc1ccc(C)cc1[C@@](C)([NH3+])CN 259113788 573574644 /nfs/dbraw/zinc/57/46/44/573574644.db2.gz RGZPRIXYSSYUFH-NSHDSACASA-N 1 1 194.278 1.136 10 0 ADAEMO C[C@@H]1CC[C@@H]2CC(=O)C[N@H+]2C1 238444581 573574672 /nfs/dbraw/zinc/57/46/72/573574672.db2.gz OAINFUWCLDYLIA-HTQZYQBOSA-N 1 1 153.225 1.060 10 0 ADAEMO CC[C@H](C)[C@@H](C)[NH+]1CC(N)C1 83634242 573576604 /nfs/dbraw/zinc/57/66/04/573576604.db2.gz KBPLFQDLSSIFFB-JGVFFNPUSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]1C[C@@H]([NH+]2CC(N)C2)CC(C)(C)C1 83634203 573576614 /nfs/dbraw/zinc/57/66/14/573576614.db2.gz PUXJCYFFIUOVQX-GXSJLCMTSA-N 1 1 196.338 1.844 10 0 ADAEMO C[NH+](C)CCc1ncc2ccccn12 258065123 573575849 /nfs/dbraw/zinc/57/58/49/573575849.db2.gz UUWMFISGPSJBPW-UHFFFAOYSA-N 1 1 189.262 1.438 10 0 ADAEMO C[C@@H]1C[N@H+]2CCCCC[C@@H]2CN1 238444906 573575922 /nfs/dbraw/zinc/57/59/22/573575922.db2.gz DCWWNAWNILBDRR-NXEZZACHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1CN2CCCCC[C@@H]2C[NH2+]1 238444906 573575924 /nfs/dbraw/zinc/57/59/24/573575924.db2.gz DCWWNAWNILBDRR-NXEZZACHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1C[C@@H]([NH+]2CC(N)C2)CC(C)(C)C1 83634201 573575935 /nfs/dbraw/zinc/57/59/35/573575935.db2.gz PUXJCYFFIUOVQX-MWLCHTKSSA-N 1 1 196.338 1.844 10 0 ADAEMO C/C=C\C[N@H+]1CCNC[C@@H]1[C@H](C)CC 308401544 573575971 /nfs/dbraw/zinc/57/59/71/573575971.db2.gz RBZUIANFNBCLIE-CZVUKNJHSA-N 1 1 196.338 1.882 10 0 ADAEMO C/C=C\C[N@@H+]1CCNC[C@@H]1[C@H](C)CC 308401544 573575977 /nfs/dbraw/zinc/57/59/77/573575977.db2.gz RBZUIANFNBCLIE-CZVUKNJHSA-N 1 1 196.338 1.882 10 0 ADAEMO C[C@@H]1CC[C@@H](C)[C@H]([NH+]2CC(N)C2)C1 83634714 573576099 /nfs/dbraw/zinc/57/60/99/573576099.db2.gz WKMPUCYAAYQHLQ-FXPVBKGRSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H]1CCCC[C@H]1[NH+]1CC(N)C1 83634028 573576124 /nfs/dbraw/zinc/57/61/24/573576124.db2.gz WEGWLGHRRWCRSM-WCBMZHEXSA-N 1 1 168.284 1.208 10 0 ADAEMO NC1C[NH+]([C@H]2CCC[C@H](C3CC3)C2)C1 83634122 573576185 /nfs/dbraw/zinc/57/61/85/573576185.db2.gz FQVPKDKXYUSUEO-JQWIXIFHSA-N 1 1 194.322 1.598 10 0 ADAEMO CC[C@@H](C(C)C)[NH+]1CC(N)C1 83634384 573576640 /nfs/dbraw/zinc/57/66/40/573576640.db2.gz GMYXOULRBRKLJJ-VIFPVBQESA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@@H](C)Sc1nnc(C[NH3+])o1 130441177 573576228 /nfs/dbraw/zinc/57/62/28/573576228.db2.gz ILQIOIPLSUEDMJ-RXMQYKEDSA-N 1 1 187.268 1.419 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1[C@]1(C)NCCO1 258792384 573576252 /nfs/dbraw/zinc/57/62/52/573576252.db2.gz XSUPALDRKKPHBC-GHMZBOCLSA-N 1 1 198.310 1.195 10 0 ADAEMO CC(C)N1CCC[C@@H]1[C@]1(C)[NH2+]CCO1 258792384 573576259 /nfs/dbraw/zinc/57/62/59/573576259.db2.gz XSUPALDRKKPHBC-GHMZBOCLSA-N 1 1 198.310 1.195 10 0 ADAEMO Cc1ccc2c(c1)[C@@H](CN)[NH2+]CC2 257832923 573576320 /nfs/dbraw/zinc/57/63/20/573576320.db2.gz KDMBPGUDVVNZJU-LLVKDONJSA-N 1 1 176.263 1.141 10 0 ADAEMO CC[C@H](C)[C@H](C)[NH+]1CC(N)C1 83634245 573576358 /nfs/dbraw/zinc/57/63/58/573576358.db2.gz KBPLFQDLSSIFFB-YUMQZZPRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@H](N(C)C)C(C)(C)[NH3+] 259514706 573576406 /nfs/dbraw/zinc/57/64/06/573576406.db2.gz MLARCNJHKMXTMS-ZETCQYMHSA-N 1 1 144.262 1.064 10 0 ADAEMO CC[C@H]1CCC[C@@H]([NH+]2CC(N)C2)CC1 83634139 573576412 /nfs/dbraw/zinc/57/64/12/573576412.db2.gz NYJMWBCENTUOGZ-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(=O)C[C@@H]1CC[N@@H+](C)[C@H](C)C1 107405002 573576447 /nfs/dbraw/zinc/57/64/47/573576447.db2.gz BWXPJYYGBBULNY-PSASIEDQSA-N 1 1 169.268 1.696 10 0 ADAEMO CC(C)C[C@H](C)[NH+]1CC(N)C1 83634363 573576451 /nfs/dbraw/zinc/57/64/51/573576451.db2.gz JKAZIUVEFYQKRT-QMMMGPOBSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)CCN[C@H]1C[NH2+]C(C)(C)C1 258790589 573576471 /nfs/dbraw/zinc/57/64/71/573576471.db2.gz RQYZRPFGHWTRSU-SNVBAGLBSA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@@H]1CCC[C@@H](C)C1N1CC([NH3+])C1 83634172 573576490 /nfs/dbraw/zinc/57/64/90/573576490.db2.gz BNZIQZZEHIOGDA-RKDXNWHRSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1cccc(N)c1 86688256 573576516 /nfs/dbraw/zinc/57/65/16/573576516.db2.gz RCZYCOIWUFNTKW-VIFPVBQESA-N 1 1 176.263 1.863 10 0 ADAEMO CCCC[C@]1(CO)CC[N@@H+](C)C1 258789465 573576553 /nfs/dbraw/zinc/57/65/53/573576553.db2.gz MMFALVUUCLOZSA-JTQLQIEISA-N 1 1 171.284 1.491 10 0 ADAEMO CC(=O)C[C@@H]1CCC[N@H+](C)CC1 107404988 573577833 /nfs/dbraw/zinc/57/78/33/573577833.db2.gz DFTKHLPLNAPZKO-SNVBAGLBSA-N 1 1 169.268 1.697 10 0 ADAEMO CC(C)([NH3+])C[C@@H](N)c1ccc[nH]1 259514794 573577934 /nfs/dbraw/zinc/57/79/34/573577934.db2.gz VKPMLJWJDFKQKK-SSDOTTSWSA-N 1 1 167.256 1.142 10 0 ADAEMO CC(C)[N@H+]1C[C@H](CO)CCC1(C)C 259517403 573577994 /nfs/dbraw/zinc/57/79/94/573577994.db2.gz UZDIIYCUUNYVPG-SNVBAGLBSA-N 1 1 185.311 1.878 10 0 ADAEMO CCC[C@H]1CCCC[N@@H+]1CCNC 213068635 573578211 /nfs/dbraw/zinc/57/82/11/573578211.db2.gz HZVICVNWCPQXQC-NSHDSACASA-N 1 1 184.327 1.860 10 0 ADAEMO CCC[C@H]1CCCC[N@H+]1CCNC 213068635 573578214 /nfs/dbraw/zinc/57/82/14/573578214.db2.gz HZVICVNWCPQXQC-NSHDSACASA-N 1 1 184.327 1.860 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1[C@@]1(C)NCCO1 258792403 573578235 /nfs/dbraw/zinc/57/82/35/573578235.db2.gz XSUPALDRKKPHBC-QWRGUYRKSA-N 1 1 198.310 1.195 10 0 ADAEMO CC(C)N1CCC[C@H]1[C@@]1(C)[NH2+]CCO1 258792403 573578239 /nfs/dbraw/zinc/57/82/39/573578239.db2.gz XSUPALDRKKPHBC-QWRGUYRKSA-N 1 1 198.310 1.195 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1C[C@H]1NCCO1 258065527 573578271 /nfs/dbraw/zinc/57/82/71/573578271.db2.gz GWCQNWJXIJBIFH-MNOVXSKESA-N 1 1 198.310 1.195 10 0 ADAEMO C[NH2+][C@@H]1CCN2CCCC[C@@H]2C1 107404544 573579860 /nfs/dbraw/zinc/57/98/60/573579860.db2.gz XEUOZPNVGNZKFM-NXEZZACHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@@H](N(C)C)C(C)(C)[NH3+] 259514705 573578342 /nfs/dbraw/zinc/57/83/42/573578342.db2.gz MLARCNJHKMXTMS-SSDOTTSWSA-N 1 1 144.262 1.064 10 0 ADAEMO COC(=O)C(C)(C)[N@@H+](C)C(C)C 258793392 573578350 /nfs/dbraw/zinc/57/83/50/573578350.db2.gz MPTFUGSTWHSMQH-UHFFFAOYSA-N 1 1 173.256 1.278 10 0 ADAEMO C/C=C\C[N@H+]1CCNC[C@@H]1[C@@H](C)CC 308401545 573578643 /nfs/dbraw/zinc/57/86/43/573578643.db2.gz RBZUIANFNBCLIE-XEGQIGPUSA-N 1 1 196.338 1.882 10 0 ADAEMO CC(=O)C[C@@H]1CCCC[N@H+](C)C1 107404995 573578644 /nfs/dbraw/zinc/57/86/44/573578644.db2.gz KVTKWCVOLRLMDD-JTQLQIEISA-N 1 1 169.268 1.697 10 0 ADAEMO C/C=C\C[N@@H+]1CCNC[C@@H]1[C@@H](C)CC 308401545 573578647 /nfs/dbraw/zinc/57/86/47/573578647.db2.gz RBZUIANFNBCLIE-XEGQIGPUSA-N 1 1 196.338 1.882 10 0 ADAEMO CCC[N@@H+](CCO)[C@H]1CCC[C@H]1C 308405774 573579870 /nfs/dbraw/zinc/57/98/70/573579870.db2.gz JNUXZZLRDAZZCM-MNOVXSKESA-N 1 1 185.311 1.879 10 0 ADAEMO CCCc1nc(CC[C@@H](C)[NH3+])[nH]c1C 258786512 573578714 /nfs/dbraw/zinc/57/87/14/573578714.db2.gz VIYAVUCJSLZNBF-MRVPVSSYSA-N 1 1 195.310 1.950 10 0 ADAEMO CCCc1[nH]c(CC[C@@H](C)[NH3+])nc1C 258786512 573578719 /nfs/dbraw/zinc/57/87/19/573578719.db2.gz VIYAVUCJSLZNBF-MRVPVSSYSA-N 1 1 195.310 1.950 10 0 ADAEMO CC(=O)C[C@H]1CC[N@@H+](C)[C@@H](C)C1 107405016 573578736 /nfs/dbraw/zinc/57/87/36/573578736.db2.gz BWXPJYYGBBULNY-WPRPVWTQSA-N 1 1 169.268 1.696 10 0 ADAEMO C/C=C\C[N@@H+]1CCNC[C@H]1C(C)(C)C 308401580 573578795 /nfs/dbraw/zinc/57/87/95/573578795.db2.gz RUFOTXMAPFJBEY-GZTOBOFZSA-N 1 1 196.338 1.882 10 0 ADAEMO C/C=C\C[N@H+]1CCNC[C@H]1C(C)(C)C 308401580 573578801 /nfs/dbraw/zinc/57/88/01/573578801.db2.gz RUFOTXMAPFJBEY-GZTOBOFZSA-N 1 1 196.338 1.882 10 0 ADAEMO C[N@@H+](CCc1ccc[nH]1)C(C)(C)CO 258791851 573578844 /nfs/dbraw/zinc/57/88/44/573578844.db2.gz JGGHFDRWLGXJIQ-UHFFFAOYSA-N 1 1 196.294 1.260 10 0 ADAEMO Cc1cc(F)cc([C@H](N)C[NH+](C)C)c1 86693690 573578944 /nfs/dbraw/zinc/57/89/44/573578944.db2.gz OGMLAKKPBWFXHQ-LLVKDONJSA-N 1 1 196.269 1.696 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1C[C@H]1NCCO1 258065537 573579884 /nfs/dbraw/zinc/57/98/84/573579884.db2.gz GWCQNWJXIJBIFH-QWRGUYRKSA-N 1 1 198.310 1.195 10 0 ADAEMO CCCOCC[N@@H+](CC)CCCO 233230908 573579083 /nfs/dbraw/zinc/57/90/83/573579083.db2.gz BQNBFJZHAFEPGR-UHFFFAOYSA-N 1 1 189.299 1.117 10 0 ADAEMO CC(=O)C[C@H]1CCCC[N@H+](C)C1 107404998 573579194 /nfs/dbraw/zinc/57/91/94/573579194.db2.gz KVTKWCVOLRLMDD-SNVBAGLBSA-N 1 1 169.268 1.697 10 0 ADAEMO CC[C@H](C)Sc1nnc(C[NH3+])o1 130441386 573579245 /nfs/dbraw/zinc/57/92/45/573579245.db2.gz ILQIOIPLSUEDMJ-YFKPBYRVSA-N 1 1 187.268 1.419 10 0 ADAEMO CCC[C@@H]1C[C@@]1([NH3+])C(=O)OCC 238275055 573579278 /nfs/dbraw/zinc/57/92/78/573579278.db2.gz RPWAUZZCSAJEGH-APPZFPTMSA-N 1 1 171.240 1.067 10 0 ADAEMO Cc1n[nH]c(C(C)(C)C(C)(C)[NH3+])n1 83643804 573579402 /nfs/dbraw/zinc/57/94/02/573579402.db2.gz RLHRERFEOOYJTB-UHFFFAOYSA-N 1 1 182.271 1.128 10 0 ADAEMO Cc1nc(C(C)(C)C(C)(C)[NH3+])n[nH]1 83643804 573579408 /nfs/dbraw/zinc/57/94/08/573579408.db2.gz RLHRERFEOOYJTB-UHFFFAOYSA-N 1 1 182.271 1.128 10 0 ADAEMO CC(=O)C[C@H]1CC[N@@H+](C)[C@H](C)C1 107405012 573579492 /nfs/dbraw/zinc/57/94/92/573579492.db2.gz BWXPJYYGBBULNY-SCZZXKLOSA-N 1 1 169.268 1.696 10 0 ADAEMO C[NH2+][C@@H]1CCN(C)CC12CCC2 107404550 573579556 /nfs/dbraw/zinc/57/95/56/573579556.db2.gz PQWIDTMKIDHMIZ-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO CCc1[nH+]ccn1CC(=O)C(F)F 308401235 573579563 /nfs/dbraw/zinc/57/95/63/573579563.db2.gz HCXQQAOHZGNZCY-UHFFFAOYSA-N 1 1 188.177 1.280 10 0 ADAEMO CC(C)CC(C)(C)C[NH2+]C[C@@H](C)N 258792834 573579793 /nfs/dbraw/zinc/57/97/93/573579793.db2.gz QLCJKKODQQEMPU-SNVBAGLBSA-N 1 1 186.343 1.996 10 0 ADAEMO Cc1c[nH+]cn1-c1cccc(N)n1 95929815 573579918 /nfs/dbraw/zinc/57/99/18/573579918.db2.gz WDOOUOLINWRFDI-UHFFFAOYSA-N 1 1 174.207 1.158 10 0 ADAEMO CC(=O)C[C@@H]1CC[N@@H+](C)[C@@H](C)C1 107405007 573579933 /nfs/dbraw/zinc/57/99/33/573579933.db2.gz BWXPJYYGBBULNY-WCBMZHEXSA-N 1 1 169.268 1.696 10 0 ADAEMO C[N@@H+](CC1CCC1)C(C)(C)CCO 258807018 573582855 /nfs/dbraw/zinc/58/28/55/573582855.db2.gz KOWRJPHIYZIRMN-UHFFFAOYSA-N 1 1 185.311 1.879 10 0 ADAEMO C[N@H+]1CCc2sc(N)cc2C1 75464313 573580004 /nfs/dbraw/zinc/58/00/04/573580004.db2.gz PXEDVGJSVSUSGC-UHFFFAOYSA-N 1 1 168.265 1.318 10 0 ADAEMO CCn1cc(CC[N@@H+](C)CC)cn1 308405743 573580195 /nfs/dbraw/zinc/58/01/95/573580195.db2.gz JMERHMDSPINAKS-UHFFFAOYSA-N 1 1 181.283 1.397 10 0 ADAEMO CCC[N@@H+](CCO)[C@@H]1CCC[C@H]1C 308405773 573580218 /nfs/dbraw/zinc/58/02/18/573580218.db2.gz JNUXZZLRDAZZCM-GHMZBOCLSA-N 1 1 185.311 1.879 10 0 ADAEMO CC(C)CCN[C@@H]1C[NH2+]C(C)(C)C1 258790588 573580381 /nfs/dbraw/zinc/58/03/81/573580381.db2.gz RQYZRPFGHWTRSU-JTQLQIEISA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@H]1CCCC[C@]12OCC[N@@H+]2CCO 238440604 573580503 /nfs/dbraw/zinc/58/05/03/573580503.db2.gz RPXJJFCISBDUEQ-QWRGUYRKSA-N 1 1 199.294 1.217 10 0 ADAEMO C[C@H]1CCCC[C@]12OCC[N@H+]2CCO 238440604 573580507 /nfs/dbraw/zinc/58/05/07/573580507.db2.gz RPXJJFCISBDUEQ-QWRGUYRKSA-N 1 1 199.294 1.217 10 0 ADAEMO CC(C)([NH3+])Cc1ncc2ccccn12 144308432 573580637 /nfs/dbraw/zinc/58/06/37/573580637.db2.gz LIMSGLXFZJJLDH-UHFFFAOYSA-N 1 1 189.262 1.614 10 0 ADAEMO C[NH2+]C(C)(C)CNCCc1cc[nH]c1 258797498 573582893 /nfs/dbraw/zinc/58/28/93/573582893.db2.gz DEBGVCUGZNJDSR-UHFFFAOYSA-N 1 1 195.310 1.145 10 0 ADAEMO C[N@H+]1CC[C@H](O)[C@@H](c2ccccc2)C1 144372240 573580650 /nfs/dbraw/zinc/58/06/50/573580650.db2.gz WXNJIUYYKRKABN-NEPJUHHUSA-N 1 1 191.274 1.467 10 0 ADAEMO CNC(C)(C)C[NH2+]CCc1cc[nH]c1 258797498 573582898 /nfs/dbraw/zinc/58/28/98/573582898.db2.gz DEBGVCUGZNJDSR-UHFFFAOYSA-N 1 1 195.310 1.145 10 0 ADAEMO CCC(C)(C)C(=O)C[N@H+]1CC[C@@H](O)C1 308637836 573580766 /nfs/dbraw/zinc/58/07/66/573580766.db2.gz BOVOUIJGLFHDMS-SECBINFHSA-N 1 1 199.294 1.058 10 0 ADAEMO CC(C)[C@@H](CO)C[C@@H]1CCC[N@@H+](C)C1 259115338 573580832 /nfs/dbraw/zinc/58/08/32/573580832.db2.gz BRMVAQQKFLBRFT-NWDGAFQWSA-N 1 1 199.338 1.983 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1cccc(N)c1 86688254 573580917 /nfs/dbraw/zinc/58/09/17/573580917.db2.gz RCZYCOIWUFNTKW-SECBINFHSA-N 1 1 176.263 1.863 10 0 ADAEMO Cc1ccc(CC[NH2+]CN)c(C)c1 258804010 573580924 /nfs/dbraw/zinc/58/09/24/573580924.db2.gz DSTAUXRMWFKIPG-UHFFFAOYSA-N 1 1 178.279 1.352 10 0 ADAEMO CC(C)([NH3+])C[C@H](N)c1ccc[nH]1 259514795 573581033 /nfs/dbraw/zinc/58/10/33/573581033.db2.gz VKPMLJWJDFKQKK-ZETCQYMHSA-N 1 1 167.256 1.142 10 0 ADAEMO Cc1c[nH]c2ccc(C(=O)C[NH3+])cc12 82391383 573583440 /nfs/dbraw/zinc/58/34/40/573583440.db2.gz MYWYENWHYJMEGY-UHFFFAOYSA-N 1 1 188.230 1.618 10 0 ADAEMO CC[C@@H]1CC[N@@H+](C[C@H](C)CO)[C@H]1C 308402803 573581055 /nfs/dbraw/zinc/58/10/55/573581055.db2.gz HXHKKIOMHHJPCI-GARJFASQSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@H](c1cnn(C)c1)[N@@H+](C)CC 308402654 573581098 /nfs/dbraw/zinc/58/10/98/573581098.db2.gz HUSHUCVQYHLKLW-SNVBAGLBSA-N 1 1 181.283 1.823 10 0 ADAEMO CC(C)[C@H](CO)C[C@H]1CCC[N@@H+](C)C1 259115335 573581107 /nfs/dbraw/zinc/58/11/07/573581107.db2.gz BRMVAQQKFLBRFT-NEPJUHHUSA-N 1 1 199.338 1.983 10 0 ADAEMO CC[C@H]1CC[N@@H+]1CCN1CCCC1 308402953 573583452 /nfs/dbraw/zinc/58/34/52/573583452.db2.gz JQVUJQVDFSNLPD-NSHDSACASA-N 1 1 182.311 1.567 10 0 ADAEMO CN(Cc1cc[nH]c1)C[C@H]1CC[NH2+]C1 258805398 573581384 /nfs/dbraw/zinc/58/13/84/573581384.db2.gz DDRJOHWZVLXRLY-NSHDSACASA-N 1 1 193.294 1.056 10 0 ADAEMO CCc1n[nH]c(C(C)(C)C(C)(C)[NH3+])n1 83643805 573581385 /nfs/dbraw/zinc/58/13/85/573581385.db2.gz BMCMFNYCISQUQI-UHFFFAOYSA-N 1 1 196.298 1.382 10 0 ADAEMO CCc1nc(C(C)(C)C(C)(C)[NH3+])n[nH]1 83643805 573581392 /nfs/dbraw/zinc/58/13/92/573581392.db2.gz BMCMFNYCISQUQI-UHFFFAOYSA-N 1 1 196.298 1.382 10 0 ADAEMO COc1ccc(CC[NH2+]CN)cc1C 258808522 573581404 /nfs/dbraw/zinc/58/14/04/573581404.db2.gz DZTKWJXKPIKNRB-UHFFFAOYSA-N 1 1 194.278 1.052 10 0 ADAEMO CC[C@H]1CC[N@H+]1CCN1CCCC1 308402953 573583459 /nfs/dbraw/zinc/58/34/59/573583459.db2.gz JQVUJQVDFSNLPD-NSHDSACASA-N 1 1 182.311 1.567 10 0 ADAEMO CC[C@H](C)N[C@@H]1C[NH2+]C(C)(C)C1 258802087 573581511 /nfs/dbraw/zinc/58/15/11/573581511.db2.gz SRYWPTBDEGZBAQ-IUCAKERBSA-N 1 1 170.300 1.515 10 0 ADAEMO CC(C)C[N@H+]1CCC[C@H](N)C1(C)C 258804148 573581536 /nfs/dbraw/zinc/58/15/36/573581536.db2.gz NLUQYZVBKXTPIJ-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)CN1CCC[C@H]([NH3+])C1(C)C 258804148 573581542 /nfs/dbraw/zinc/58/15/42/573581542.db2.gz NLUQYZVBKXTPIJ-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO CC[NH2+]C[C@@H](C)N1C[C@H]2CCC[C@H]2C1 126547816 573581565 /nfs/dbraw/zinc/58/15/65/573581565.db2.gz ZVBHQLPEYFVRFN-UTUOFQBUSA-N 1 1 196.338 1.716 10 0 ADAEMO C1CCN2CC[C@H]([NH2+]C3CC3)[C@@H]2C1 107412714 573581575 /nfs/dbraw/zinc/58/15/75/573581575.db2.gz VQJMSODZLFYQPZ-QWRGUYRKSA-N 1 1 180.295 1.365 10 0 ADAEMO C1CC[N@H+]2CC[C@H](NC3CC3)[C@@H]2C1 107412714 573581580 /nfs/dbraw/zinc/58/15/80/573581580.db2.gz VQJMSODZLFYQPZ-QWRGUYRKSA-N 1 1 180.295 1.365 10 0 ADAEMO C1CC[N@@H+]2CC[C@H](NC3CC3)[C@@H]2C1 107412714 573581582 /nfs/dbraw/zinc/58/15/82/573581582.db2.gz VQJMSODZLFYQPZ-QWRGUYRKSA-N 1 1 180.295 1.365 10 0 ADAEMO CC[C@@H]1CC[N@@H+](C[C@@H](C)CO)[C@H]1C 308402808 573581762 /nfs/dbraw/zinc/58/17/62/573581762.db2.gz HXHKKIOMHHJPCI-OUAUKWLOSA-N 1 1 185.311 1.735 10 0 ADAEMO [NH3+]Cc1cnc(-c2ccc(F)cn2)[nH]1 86707976 573581763 /nfs/dbraw/zinc/58/17/63/573581763.db2.gz JLPYSTCSQMFOMA-UHFFFAOYSA-N 1 1 192.197 1.070 10 0 ADAEMO C[C@@H](N)C[NH2+]CC1CCCC1 258796640 573581798 /nfs/dbraw/zinc/58/17/98/573581798.db2.gz QUWARKWGWPFMKL-MRVPVSSYSA-N 1 1 156.273 1.113 10 0 ADAEMO CCC[N@H+]1CCC(C)(C)[C@@H](O)C1 258807394 573581834 /nfs/dbraw/zinc/58/18/34/573581834.db2.gz NTUINSXDAVXUMQ-VIFPVBQESA-N 1 1 171.284 1.489 10 0 ADAEMO FC1(F)CCC[NH2+]C12CCOCC2 258796963 573583473 /nfs/dbraw/zinc/58/34/73/573583473.db2.gz HBPMUOXXPMQQJV-UHFFFAOYSA-N 1 1 191.221 1.554 10 0 ADAEMO CC[NH2+]C[C@H](C)N1C[C@H]2CCC[C@H]2C1 126548028 573581904 /nfs/dbraw/zinc/58/19/04/573581904.db2.gz ZVBHQLPEYFVRFN-SDDRHHMPSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)[C@H](CO)C[C@@H]1CCC[N@@H+](C)C1 259115341 573582009 /nfs/dbraw/zinc/58/20/09/573582009.db2.gz BRMVAQQKFLBRFT-RYUDHWBXSA-N 1 1 199.338 1.983 10 0 ADAEMO C[C@H](CO)[NH2+]Cc1coc(C2CC2)n1 308638403 573582131 /nfs/dbraw/zinc/58/21/31/573582131.db2.gz DAVULVAFQIFJBC-SSDOTTSWSA-N 1 1 196.250 1.022 10 0 ADAEMO CNC[NH2+]CCc1cccc(F)c1 258804062 573582165 /nfs/dbraw/zinc/58/21/65/573582165.db2.gz DTTUKOQRZQVSKB-UHFFFAOYSA-N 1 1 182.242 1.135 10 0 ADAEMO Cc1[nH+]c(CCCO)[nH]c1C(C)C 258800458 573583511 /nfs/dbraw/zinc/58/35/11/573583511.db2.gz WUESEOPCPLHNLW-UHFFFAOYSA-N 1 1 182.267 1.766 10 0 ADAEMO CCc1nc([C@H]2CCC[NH2+]C2)c(C)[nH]1 257833091 573582432 /nfs/dbraw/zinc/58/24/32/573582432.db2.gz KAFYKTPFFBQGCG-VIFPVBQESA-N 1 1 193.294 1.748 10 0 ADAEMO CC(C)[C@@H](CO)C[C@H]1CCC[N@@H+](C)C1 259115344 573582487 /nfs/dbraw/zinc/58/24/87/573582487.db2.gz BRMVAQQKFLBRFT-VXGBXAGGSA-N 1 1 199.338 1.983 10 0 ADAEMO CN1CC[NH+]=C1C[C@H](N)C(C)(C)C 82393629 573582573 /nfs/dbraw/zinc/58/25/73/573582573.db2.gz OSLCVRDPULVNKE-QMMMGPOBSA-N 1 1 183.299 1.094 10 0 ADAEMO OCC[C@@H]1CCC[C@@H]2CCCC[N@@H+]12 198336470 573582613 /nfs/dbraw/zinc/58/26/13/573582613.db2.gz XYUXBDODVDXJLM-QWRGUYRKSA-N 1 1 183.295 1.776 10 0 ADAEMO CCCC(=O)O[C@@H]1CC[N@H+](CCC)C1 308402685 573582615 /nfs/dbraw/zinc/58/26/15/573582615.db2.gz ALCDSEGCYCNGRU-SNVBAGLBSA-N 1 1 199.294 1.814 10 0 ADAEMO C[N@H+]1CC[C@](CO)(C2CCCCC2)C1 258798347 573582622 /nfs/dbraw/zinc/58/26/22/573582622.db2.gz NBXYOZOTKVRRCA-LBPRGKRZSA-N 1 1 197.322 1.881 10 0 ADAEMO C[C@@H]([NH3+])c1[nH]nc2cccc(F)c12 107410034 573582645 /nfs/dbraw/zinc/58/26/45/573582645.db2.gz SHXBMXXLXOKOCZ-RXMQYKEDSA-N 1 1 179.198 1.722 10 0 ADAEMO C[NH2+][C@H](C)CN[C@@H]1[C@H]2CCCC[C@H]21 308402104 573582654 /nfs/dbraw/zinc/58/26/54/573582654.db2.gz JDFSAERRNIOPNW-ZNSHCXBVSA-N 1 1 182.311 1.373 10 0 ADAEMO CC[C@H]1CC[N@H+]1CC1(CC)COC1 308403799 573582722 /nfs/dbraw/zinc/58/27/22/573582722.db2.gz KIQDALSPVFCNCP-JTQLQIEISA-N 1 1 183.295 1.897 10 0 ADAEMO CC[C@@H](O)C[N@@H+](C)[C@@H]1CC[C@H](C)C1 308402178 573582947 /nfs/dbraw/zinc/58/29/47/573582947.db2.gz HPFNLDMAGHNJCK-HBNTYKKESA-N 1 1 185.311 1.878 10 0 ADAEMO CC[C@@H](O)C[N@@H+](C)[C@H]1CC[C@H](C)C1 308402176 573583118 /nfs/dbraw/zinc/58/31/18/573583118.db2.gz HPFNLDMAGHNJCK-GARJFASQSA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@H]1CC[C@@H](CO)[N@H+]2C[C@H](C)CC[C@H]12 238445692 573583195 /nfs/dbraw/zinc/58/31/95/573583195.db2.gz BMYDQLXKUKFCKN-NOOOWODRSA-N 1 1 197.322 1.878 10 0 ADAEMO CCSCc1c[nH]c(N)[nH+]1 258066450 573583306 /nfs/dbraw/zinc/58/33/06/573583306.db2.gz GRHJRXHTMQPSBU-UHFFFAOYSA-N 1 1 157.242 1.245 10 0 ADAEMO CC[C@@H](O)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 308402177 573583314 /nfs/dbraw/zinc/58/33/14/573583314.db2.gz HPFNLDMAGHNJCK-GMTAPVOTSA-N 1 1 185.311 1.878 10 0 ADAEMO CCCC(C)(C)C[NH2+]CN 258797386 573583367 /nfs/dbraw/zinc/58/33/67/573583367.db2.gz DCWLZTKBYCFNRC-UHFFFAOYSA-N 1 1 144.262 1.319 10 0 ADAEMO CC[C@@H]1CC[N@H+]1CCN1CCCC1 308402952 573585069 /nfs/dbraw/zinc/58/50/69/573585069.db2.gz JQVUJQVDFSNLPD-LLVKDONJSA-N 1 1 182.311 1.567 10 0 ADAEMO CN1CC[NH+]=C1C[C@@H](N)C(C)(C)C 82393627 573585075 /nfs/dbraw/zinc/58/50/75/573585075.db2.gz OSLCVRDPULVNKE-MRVPVSSYSA-N 1 1 183.299 1.094 10 0 ADAEMO C[C@H]([NH3+])c1[nH]nc2cccc(F)c12 107410031 573585078 /nfs/dbraw/zinc/58/50/78/573585078.db2.gz SHXBMXXLXOKOCZ-YFKPBYRVSA-N 1 1 179.198 1.722 10 0 ADAEMO CC[C@@H](C)N[C@@H]1C[NH2+]C(C)(C)C1 258802079 573584565 /nfs/dbraw/zinc/58/45/65/573584565.db2.gz SRYWPTBDEGZBAQ-BDAKNGLRSA-N 1 1 170.300 1.515 10 0 ADAEMO FC1(C[NH2+]Cc2cc[nH]n2)CCC1 308402488 573584690 /nfs/dbraw/zinc/58/46/90/573584690.db2.gz JLOQPDQXTNDIKS-UHFFFAOYSA-N 1 1 183.230 1.392 10 0 ADAEMO CCC(=O)CC1=CC[N@@H+](C)CC1 144437546 573584708 /nfs/dbraw/zinc/58/47/08/573584708.db2.gz JPOPJOLTFGZNJA-UHFFFAOYSA-N 1 1 167.252 1.618 10 0 ADAEMO CC[C@@H](c1cnn(C)c1)[N@@H+](C)CC 308402651 573585117 /nfs/dbraw/zinc/58/51/17/573585117.db2.gz HUSHUCVQYHLKLW-JTQLQIEISA-N 1 1 181.283 1.823 10 0 ADAEMO CC[C@@H]1CC[N@@H+](C[C@H](C)CO)[C@@H]1C 308402806 573584813 /nfs/dbraw/zinc/58/48/13/573584813.db2.gz HXHKKIOMHHJPCI-HBNTYKKESA-N 1 1 185.311 1.735 10 0 ADAEMO COC(=O)C[C@H]1CCC[N@H+]1C(C)C 308403433 573584833 /nfs/dbraw/zinc/58/48/33/573584833.db2.gz IGQWPZYBIYJCLS-SECBINFHSA-N 1 1 185.267 1.422 10 0 ADAEMO C[NH2+][C@@H](C)CN[C@@H]1[C@H]2CCCC[C@H]21 308402102 573584893 /nfs/dbraw/zinc/58/48/93/573584893.db2.gz 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CC[C@@H]1CC[N@@H+]1CCN1CCCC1 308402952 573585062 /nfs/dbraw/zinc/58/50/62/573585062.db2.gz JQVUJQVDFSNLPD-LLVKDONJSA-N 1 1 182.311 1.567 10 0 ADAEMO C[C@H](N)C[NH2+]CC1CCCC1 258796642 573585218 /nfs/dbraw/zinc/58/52/18/573585218.db2.gz QUWARKWGWPFMKL-QMMMGPOBSA-N 1 1 156.273 1.113 10 0 ADAEMO CC[C@@H](N)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308402977 573585312 /nfs/dbraw/zinc/58/53/12/573585312.db2.gz JTBNZUMXUFGQHY-ZNSHCXBVSA-N 1 1 182.311 1.502 10 0 ADAEMO [NH3+][C@@H](c1ccoc1)c1ccc(F)cn1 86705614 573585315 /nfs/dbraw/zinc/58/53/15/573585315.db2.gz BLYXQZWOVCIKML-JTQLQIEISA-N 1 1 192.193 1.862 10 0 ADAEMO C1CCN2CC[C@@H]([NH2+]C3CC3)[C@@H]2C1 107412717 573585339 /nfs/dbraw/zinc/58/53/39/573585339.db2.gz VQJMSODZLFYQPZ-MNOVXSKESA-N 1 1 180.295 1.365 10 0 ADAEMO Cc1nc(CC(C)(C)C[NH3+])[nH]c1C 258803387 573585342 /nfs/dbraw/zinc/58/53/42/573585342.db2.gz WZKVJUXWKMPKGS-UHFFFAOYSA-N 1 1 181.283 1.554 10 0 ADAEMO C1CC[N@H+]2CC[C@@H](NC3CC3)[C@@H]2C1 107412717 573585346 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/nfs/dbraw/zinc/59/48/21/573594821.db2.gz FHECJKYRCTYJLX-UHFFFAOYSA-N 1 1 196.269 1.443 10 0 ADAEMO CN[C@H](CC[NH3+])c1ccccc1OC 259136827 573594992 /nfs/dbraw/zinc/59/49/92/573594992.db2.gz AZIWGQCDTVLJMJ-SNVBAGLBSA-N 1 1 194.278 1.305 10 0 ADAEMO CN[C@H]([NH3+])c1c(C)cc(C)cc1OC 259135758 573595043 /nfs/dbraw/zinc/59/50/43/573595043.db2.gz CPFXMSIGXLFBDW-NSHDSACASA-N 1 1 194.278 1.489 10 0 ADAEMO C/C=C\C[N@@H+](C)[C@H](CC)C(=O)OC 308405382 573595316 /nfs/dbraw/zinc/59/53/16/573595316.db2.gz JJGBMHLLVSSYJH-WILPJHFFSA-N 1 1 185.267 1.446 10 0 ADAEMO C/C=C\C[N@H+](C)[C@H](CC)C(=O)OC 308405382 573595320 /nfs/dbraw/zinc/59/53/20/573595320.db2.gz JJGBMHLLVSSYJH-WILPJHFFSA-N 1 1 185.267 1.446 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]C(C)C 78724431 573595372 /nfs/dbraw/zinc/59/53/72/573595372.db2.gz APFJLGSHVRYWGE-MRVPVSSYSA-N 1 1 144.262 1.112 10 0 ADAEMO CN[C@H](C[C@@H]1CCC[NH2+]1)c1ccc[nH]1 259523472 573595382 /nfs/dbraw/zinc/59/53/82/573595382.db2.gz UGTPPIZQLUEOQM-GXSJLCMTSA-N 1 1 193.294 1.417 10 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/nfs/dbraw/zinc/59/57/72/573595772.db2.gz UCSPBHQUBOHWNL-MNOVXSKESA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@H]([NH3+])Cc1[nH]nc2cc(F)ccc12 107424397 573595801 /nfs/dbraw/zinc/59/58/01/573595801.db2.gz SDDYAOHWPGTKJD-LURJTMIESA-N 1 1 193.225 1.592 10 0 ADAEMO CCCNC[C@@]1(CC)CCC[NH2+]1 215387850 573595813 /nfs/dbraw/zinc/59/58/13/573595813.db2.gz AAENLNSZKQHSNY-SNVBAGLBSA-N 1 1 170.300 1.518 10 0 ADAEMO CCc1nc(CC[NH3+])[nH]c1CC(C)C 257833784 573595838 /nfs/dbraw/zinc/59/58/38/573595838.db2.gz KEKVEEOZTOEMGF-UHFFFAOYSA-N 1 1 195.310 1.672 10 0 ADAEMO C[C@@H]([NH3+])Cc1[nH]nc2cc(F)ccc12 107424401 573595846 /nfs/dbraw/zinc/59/58/46/573595846.db2.gz SDDYAOHWPGTKJD-ZCFIWIBFSA-N 1 1 193.225 1.592 10 0 ADAEMO C[C@@H]1CCC[C@H]1[N@@H+](C)[C@@H](CN)C1CC1 126590936 573595877 /nfs/dbraw/zinc/59/58/77/573595877.db2.gz AVHNLIYJMFAHJG-JLLWLGSASA-N 1 1 196.338 1.844 10 0 ADAEMO N[C@@H](C[NH2+]C1CCC1)C1CCC1 258410700 573596002 /nfs/dbraw/zinc/59/60/02/573596002.db2.gz VOMKALBEOYCXBN-JTQLQIEISA-N 1 1 168.284 1.256 10 0 ADAEMO CC[C@@]1(CNCC2CC2)CCC[NH2+]1 215400048 573596054 /nfs/dbraw/zinc/59/60/54/573596054.db2.gz CYKIIHRQDWCRNU-NSHDSACASA-N 1 1 182.311 1.518 10 0 ADAEMO CC[C@@]1(CNC(C)(C)C)CCC[NH2+]1 215387948 573596128 /nfs/dbraw/zinc/59/61/28/573596128.db2.gz WKLBLQZUJRHNAT-NSHDSACASA-N 1 1 184.327 1.907 10 0 ADAEMO FC1(F)C[NH2+]C[C@@H]1Oc1ccccc1 257835365 573596278 /nfs/dbraw/zinc/59/62/78/573596278.db2.gz AHRWFBBHCHJCCN-VIFPVBQESA-N 1 1 199.200 1.673 10 0 ADAEMO CNc1cc([C@H]2CCC[N@@H+](C)C2)[nH]n1 259137084 573596336 /nfs/dbraw/zinc/59/63/36/573596336.db2.gz JQUZDZUSRPFQFU-QMMMGPOBSA-N 1 1 194.282 1.261 10 0 ADAEMO CC(C)[C@@H](CO)C[C@@H]1CC[N@@H+](C)C1 259523721 573596349 /nfs/dbraw/zinc/59/63/49/573596349.db2.gz VYXFVPZJPUEYIX-WDEREUQCSA-N 1 1 185.311 1.593 10 0 ADAEMO CNc1cc([C@@H]2CCC[N@@H+](C)C2)[nH]n1 259137083 573596390 /nfs/dbraw/zinc/59/63/90/573596390.db2.gz JQUZDZUSRPFQFU-MRVPVSSYSA-N 1 1 194.282 1.261 10 0 ADAEMO CC(C)n1ccnc1C(F)(F)C[NH3+] 259523203 573596829 /nfs/dbraw/zinc/59/68/29/573596829.db2.gz AKEFTOVKQJRVBT-UHFFFAOYSA-N 1 1 189.209 1.515 10 0 ADAEMO COC(=O)CC[C@H]1CCCC[N@@H+](C)C1 259520696 573596541 /nfs/dbraw/zinc/59/65/41/573596541.db2.gz DDPKGVFBUVISON-SNVBAGLBSA-N 1 1 199.294 1.672 10 0 ADAEMO CC(C)C[N@@H+]1CCc2oc(N)nc2C1 258816991 573596702 /nfs/dbraw/zinc/59/67/02/573596702.db2.gz OIJRDSJRTVZLRF-UHFFFAOYSA-N 1 1 195.266 1.271 10 0 ADAEMO CC(C)C[N@H+]1CCc2oc(N)nc2C1 258816991 573596705 /nfs/dbraw/zinc/59/67/05/573596705.db2.gz OIJRDSJRTVZLRF-UHFFFAOYSA-N 1 1 195.266 1.271 10 0 ADAEMO CCCCNC[C@]1(CC)CCC[NH2+]1 215403165 573597828 /nfs/dbraw/zinc/59/78/28/573597828.db2.gz MKXXAYVVDHWJNF-NSHDSACASA-N 1 1 184.327 1.908 10 0 ADAEMO C[NH2+][C@@H](c1cccc(OC)c1)[C@@H](C)N 259139301 573597589 /nfs/dbraw/zinc/59/75/89/573597589.db2.gz BBJZGKRZKQGUPD-LDYMZIIASA-N 1 1 194.278 1.303 10 0 ADAEMO NC(=S)C[N@H+]1CCC[C@H]2CCC[C@H]21 83701058 573597677 /nfs/dbraw/zinc/59/76/77/573597677.db2.gz HPGCKMXONGIBTO-RKDXNWHRSA-N 1 1 198.335 1.537 10 0 ADAEMO [NH3+]CC(=O)c1scc2c1CCC2 82395669 573597695 /nfs/dbraw/zinc/59/76/95/573597695.db2.gz NNVIHZUPOAKUIE-UHFFFAOYSA-N 1 1 181.260 1.378 10 0 ADAEMO CC[C@@]1(CNC2CCC2)CCC[NH2+]1 215408401 573597749 /nfs/dbraw/zinc/59/77/49/573597749.db2.gz CRORVUXJHMTFDB-NSHDSACASA-N 1 1 182.311 1.661 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](N)C1(C)C 259522990 573599043 /nfs/dbraw/zinc/59/90/43/573599043.db2.gz VLYWIGUTQMACFU-MRVPVSSYSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]1CC[C@](O)(Cc2[nH+]ccn2C)C1 86750283 573598821 /nfs/dbraw/zinc/59/88/21/573598821.db2.gz PZRHDSSLVGSJTD-GXSJLCMTSA-N 1 1 194.278 1.514 10 0 ADAEMO Cn1cc[nH+]c1C[C@H](O)C1CCCC1 86750023 573598872 /nfs/dbraw/zinc/59/88/72/573598872.db2.gz BKTUWTREVJIOLU-JTQLQIEISA-N 1 1 194.278 1.514 10 0 ADAEMO Cc1ccc(C(=O)C2([NH3+])CC2)o1 259137890 573598882 /nfs/dbraw/zinc/59/88/82/573598882.db2.gz NAURMVYXWHXDQK-UHFFFAOYSA-N 1 1 165.192 1.262 10 0 ADAEMO C[C@H]1CCC[C@]1(O)Cc1[nH+]ccn1C 86750373 573598883 /nfs/dbraw/zinc/59/88/83/573598883.db2.gz SLFSDFYLIAXFLC-ONGXEEELSA-N 1 1 194.278 1.514 10 0 ADAEMO C[NH2+][C@@H](c1cccc(OC)c1)[C@H](C)N 259139293 573598909 /nfs/dbraw/zinc/59/89/09/573598909.db2.gz BBJZGKRZKQGUPD-GZMMTYOYSA-N 1 1 194.278 1.303 10 0 ADAEMO CN1C[C@H]2CCC[NH2+][C@@H]2C2(CCC2)C1 107428497 573598938 /nfs/dbraw/zinc/59/89/38/573598938.db2.gz QRUXUQZMEYIYAM-MNOVXSKESA-N 1 1 194.322 1.470 10 0 ADAEMO C[N@H+]1CCC[C@H](C2(Cl)COC2)C1 259139237 573599855 /nfs/dbraw/zinc/59/98/55/573599855.db2.gz ROPGJZIHTKBXGM-QMMMGPOBSA-N 1 1 189.686 1.336 10 0 ADAEMO CC[C@](C)(O)Cc1[nH+]ccn1C 86749547 573599876 /nfs/dbraw/zinc/59/98/76/573599876.db2.gz AMAAZWBPCWRQDX-VIFPVBQESA-N 1 1 168.240 1.124 10 0 ADAEMO C[C@@H]1CC[C@](O)(Cc2[nH+]ccn2C)C1 86750281 573599897 /nfs/dbraw/zinc/59/98/97/573599897.db2.gz PZRHDSSLVGSJTD-MWLCHTKSSA-N 1 1 194.278 1.514 10 0 ADAEMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]2CCC[C@@H]21 83701998 573599987 /nfs/dbraw/zinc/59/99/87/573599987.db2.gz ARWFKAMHAVPWRS-BBBLOLIVSA-N 1 1 196.294 1.125 10 0 ADAEMO Cc1cc(N)[nH+]cc1[C@@H]1CCCC1=O 238457539 573600012 /nfs/dbraw/zinc/60/00/12/573600012.db2.gz DNFAJAZJMXUMKM-QMMMGPOBSA-N 1 1 190.246 1.809 10 0 ADAEMO C[NH2+][C@H](c1cccc(OC)c1)[C@@H](C)N 259139296 573600016 /nfs/dbraw/zinc/60/00/16/573600016.db2.gz BBJZGKRZKQGUPD-KCJUWKMLSA-N 1 1 194.278 1.303 10 0 ADAEMO CC[C@H](C)NC[C@@]1(CC)CCC[NH2+]1 215393813 573600053 /nfs/dbraw/zinc/60/00/53/573600053.db2.gz ADVDHIWGKFAEIA-WDEREUQCSA-N 1 1 184.327 1.907 10 0 ADAEMO C[C@@](N)(C[NH2+]CCCCF)C1CC1 393539408 573600198 /nfs/dbraw/zinc/60/01/98/573600198.db2.gz RVCGYGXOIFIMKO-SNVBAGLBSA-N 1 1 188.290 1.453 10 0 ADAEMO CC[N@@H+](C)C[Si](C)(C)C 223167529 573600217 /nfs/dbraw/zinc/60/02/17/573600217.db2.gz OOBLBWPXYCVNLV-UHFFFAOYSA-N 1 1 145.322 1.816 10 0 ADAEMO Cc1ccc(C)c2c1CC[C@H](N)[C@@H]2[NH3+] 238457597 573600237 /nfs/dbraw/zinc/60/02/37/573600237.db2.gz XIKGEMRUEHEUIN-JQWIXIFHSA-N 1 1 190.290 1.577 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@H](N)C1(C)C 259522994 573600275 /nfs/dbraw/zinc/60/02/75/573600275.db2.gz VLYWIGUTQMACFU-QMMMGPOBSA-N 1 1 170.300 1.597 10 0 ADAEMO OCCCC[N@H+]1CCCC12CCC2 393539971 573600276 /nfs/dbraw/zinc/60/02/76/573600276.db2.gz VOZHFBATSIWWGK-UHFFFAOYSA-N 1 1 183.295 1.777 10 0 ADAEMO CC(C)[C@@](C)(O)Cc1[nH+]ccn1C 86749568 573600334 /nfs/dbraw/zinc/60/03/34/573600334.db2.gz DBKUVTQCQBXUDF-JTQLQIEISA-N 1 1 182.267 1.370 10 0 ADAEMO CC(C)[C@H](CO)C[C@@H]1CC[N@@H+](C)C1 259523719 573600353 /nfs/dbraw/zinc/60/03/53/573600353.db2.gz VYXFVPZJPUEYIX-QWRGUYRKSA-N 1 1 185.311 1.593 10 0 ADAEMO CC[C@@H](C)NC[C@]1(CC)CCC[NH2+]1 215393685 573600867 /nfs/dbraw/zinc/60/08/67/573600867.db2.gz ADVDHIWGKFAEIA-MNOVXSKESA-N 1 1 184.327 1.907 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H](O)c1ccoc1 86750006 573600784 /nfs/dbraw/zinc/60/07/84/573600784.db2.gz DRPXJICVBLGPPR-SECBINFHSA-N 1 1 192.218 1.289 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H](O)C1CCCC1 86750026 573600885 /nfs/dbraw/zinc/60/08/85/573600885.db2.gz BKTUWTREVJIOLU-SNVBAGLBSA-N 1 1 194.278 1.514 10 0 ADAEMO C[NH2+][C@H](c1cccc(OC)c1)[C@H](C)N 259139298 573600974 /nfs/dbraw/zinc/60/09/74/573600974.db2.gz BBJZGKRZKQGUPD-KWQFWETISA-N 1 1 194.278 1.303 10 0 ADAEMO C[N@@H+](CCC(C)(C)C)CC1(N)CC1 259138652 573600991 /nfs/dbraw/zinc/60/09/91/573600991.db2.gz RDARJVXWUNDUIL-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CN(CCC(C)(C)C)CC1([NH3+])CC1 259138652 573600994 /nfs/dbraw/zinc/60/09/94/573600994.db2.gz RDARJVXWUNDUIL-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CCn1cc[nH+]c1CC1(O)CCCC1 86749534 573601032 /nfs/dbraw/zinc/60/10/32/573601032.db2.gz GAOBTTQFJHIHTJ-UHFFFAOYSA-N 1 1 194.278 1.751 10 0 ADAEMO CC(C)(C)n1ccnc1NCCC[NH3+] 257836103 573601103 /nfs/dbraw/zinc/60/11/03/573601103.db2.gz ALCQOMDWCDICSI-UHFFFAOYSA-N 1 1 196.298 1.399 10 0 ADAEMO C[NH2+][C@H](C(F)F)[C@]1(C)C[C@@H]1C 714719228 573601679 /nfs/dbraw/zinc/60/16/79/573601679.db2.gz JDBMALUHEQSMFH-SHYZEUOFSA-N 1 1 163.211 1.886 10 0 ADAEMO CC[C@]1(CNC(C)C)CCC[NH2+]1 215391349 573601157 /nfs/dbraw/zinc/60/11/57/573601157.db2.gz PLXJJMVKPSOTLW-SNVBAGLBSA-N 1 1 170.300 1.517 10 0 ADAEMO C[C@H]1CCC[C@@]1(O)Cc1[nH+]ccn1C 86750377 573601172 /nfs/dbraw/zinc/60/11/72/573601172.db2.gz SLFSDFYLIAXFLC-GXSJLCMTSA-N 1 1 194.278 1.514 10 0 ADAEMO CC(C)[C@]1([C@H]2CCC[NH2+]2)CCCCN1 258070935 573601183 /nfs/dbraw/zinc/60/11/83/573601183.db2.gz FIOYWJOCSVBSHJ-NEPJUHHUSA-N 1 1 196.338 1.907 10 0 ADAEMO Cc1cc(N)[nH+]cc1C(F)F 238456906 573601253 /nfs/dbraw/zinc/60/12/53/573601253.db2.gz MOPDNCNZUMCWMM-UHFFFAOYSA-N 1 1 158.151 1.910 10 0 ADAEMO OCC[C@@H]1COCC[N@H+]1C1CCCC1 259138815 573601254 /nfs/dbraw/zinc/60/12/54/573601254.db2.gz AXFSYYDISFJYPT-LLVKDONJSA-N 1 1 199.294 1.012 10 0 ADAEMO Cc1n[nH]c2c(Cl)c(C[NH3+])ccc12 259527814 573601688 /nfs/dbraw/zinc/60/16/88/573601688.db2.gz RESADBBRLWAQJC-UHFFFAOYSA-N 1 1 195.653 1.983 10 0 ADAEMO CC(C)[C@@]1([C@@H]2CCC[NH2+]2)CCCCN1 258070942 573601318 /nfs/dbraw/zinc/60/13/18/573601318.db2.gz FIOYWJOCSVBSHJ-NWDGAFQWSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@@H]([NH2+]C[C@H]1CCN(C)C1)C(C)(C)C 686247309 573601320 /nfs/dbraw/zinc/60/13/20/573601320.db2.gz WMZOMKMRGIUYET-GHMZBOCLSA-N 1 1 198.354 1.962 10 0 ADAEMO Cc1n[nH]c2c(Cl)ccc(C[NH3+])c12 259527883 573601458 /nfs/dbraw/zinc/60/14/58/573601458.db2.gz RHLXFCZDPLSCTJ-UHFFFAOYSA-N 1 1 195.653 1.983 10 0 ADAEMO CCCC[N@H+]1C[C@H](O)CC1(C)C 258814062 573601497 /nfs/dbraw/zinc/60/14/97/573601497.db2.gz OHGVNCFTFITKDM-SECBINFHSA-N 1 1 171.284 1.632 10 0 ADAEMO Cn1cc[nH+]c1C[C@H]1CCCC[C@@H]1O 86753200 573601528 /nfs/dbraw/zinc/60/15/28/573601528.db2.gz TULZUVKQHHTMBN-ZJUUUORDSA-N 1 1 194.278 1.514 10 0 ADAEMO OCC[C@H]1COCC[N@H+]1C1CCCC1 259138820 573601555 /nfs/dbraw/zinc/60/15/55/573601555.db2.gz AXFSYYDISFJYPT-NSHDSACASA-N 1 1 199.294 1.012 10 0 ADAEMO Cn1cc[nH+]c1C[C@@](C)(O)C1CC1 86749578 573601564 /nfs/dbraw/zinc/60/15/64/573601564.db2.gz FNUIVYRYNPHQSQ-SNVBAGLBSA-N 1 1 180.251 1.124 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H]1CCCC[C@@H]1O 86753199 573601593 /nfs/dbraw/zinc/60/15/93/573601593.db2.gz TULZUVKQHHTMBN-UWVGGRQHSA-N 1 1 194.278 1.514 10 0 ADAEMO CCOC(=O)CCC[N@@H+](C)C(C)C 259525848 573601601 /nfs/dbraw/zinc/60/16/01/573601601.db2.gz QXNDSKJKEYCDBV-UHFFFAOYSA-N 1 1 187.283 1.670 10 0 ADAEMO N[C@@H](C[C@H]1CCC[NH2+]1)c1cc[nH]c1 259138539 573601608 /nfs/dbraw/zinc/60/16/08/573601608.db2.gz CRNBYZARPUKCRH-ZJUUUORDSA-N 1 1 179.267 1.157 10 0 ADAEMO [NH3+]Cc1nc(-c2ccccc2F)co1 257836556 573603795 /nfs/dbraw/zinc/60/37/95/573603795.db2.gz KUBDJSQSOFUUCI-UHFFFAOYSA-N 1 1 192.193 1.939 10 0 ADAEMO C[C@H]1CC(=O)[C@@H]2CCCC[N@@H+]2C1 238447048 573606231 /nfs/dbraw/zinc/60/62/31/573606231.db2.gz CORZKGNKQACBQX-IUCAKERBSA-N 1 1 167.252 1.450 10 0 ADAEMO CCn1cc[nH+]c1C[C@H]1CCC[C@@H]1O 86753256 573606235 /nfs/dbraw/zinc/60/62/35/573606235.db2.gz BZPASQYQSISLDM-ZJUUUORDSA-N 1 1 194.278 1.607 10 0 ADAEMO C[NH2+][C@H](C(F)F)[C@@]1(C)C[C@@H]1C 714719213 573602671 /nfs/dbraw/zinc/60/26/71/573602671.db2.gz JDBMALUHEQSMFH-BBVRLYRLSA-N 1 1 163.211 1.886 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC2CC2)[C@@H](C)CCN1 224393645 573602780 /nfs/dbraw/zinc/60/27/80/573602780.db2.gz RHZAFDHNIDFJRJ-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1C[C@H](C(C)(C)C)C[N@H+]1CCN 238447252 573602821 /nfs/dbraw/zinc/60/28/21/573602821.db2.gz XWDLDPQMZOTIKN-ZJUUUORDSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)C[C@H](O)Cc1[nH+]ccn1C 86750064 573602903 /nfs/dbraw/zinc/60/29/03/573602903.db2.gz QVFDEQLDWYSUFJ-VIFPVBQESA-N 1 1 182.267 1.370 10 0 ADAEMO CC[C@@](C)(O)Cc1[nH+]ccn1C 86749550 573602918 /nfs/dbraw/zinc/60/29/18/573602918.db2.gz AMAAZWBPCWRQDX-SECBINFHSA-N 1 1 168.240 1.124 10 0 ADAEMO c1cc(CNCC[C@@H]2CCC[NH2+]2)c[nH]1 259124636 573602921 /nfs/dbraw/zinc/60/29/21/573602921.db2.gz WFQGUUMVQBTCCU-NSHDSACASA-N 1 1 193.294 1.246 10 0 ADAEMO Cn1cc[nH+]c1C[C@H](O)c1ccoc1 86750005 573602976 /nfs/dbraw/zinc/60/29/76/573602976.db2.gz DRPXJICVBLGPPR-VIFPVBQESA-N 1 1 192.218 1.289 10 0 ADAEMO C[N@H+]1CC[C@H](O)[C@@H](CC(C)(F)F)C1 259525356 573603027 /nfs/dbraw/zinc/60/30/27/573603027.db2.gz APNGXZIUZMBKCE-YUMQZZPRSA-N 1 1 193.237 1.344 10 0 ADAEMO C[C@@H]([NH2+]C[C@@H]1CCN(C)C1)C(C)(C)C 686247310 573603054 /nfs/dbraw/zinc/60/30/54/573603054.db2.gz WMZOMKMRGIUYET-MNOVXSKESA-N 1 1 198.354 1.962 10 0 ADAEMO C[NH2+][C@H](C(C)(C)C)C1(CN)CC1 259125091 573603079 /nfs/dbraw/zinc/60/30/79/573603079.db2.gz BKEIUXJAKPBRSA-MRVPVSSYSA-N 1 1 170.300 1.359 10 0 ADAEMO C[NH2+][C@@H](C)Cc1cc(C2CCC2)[nH]n1 257836575 573603094 /nfs/dbraw/zinc/60/30/94/573603094.db2.gz KVBGHJNUFKBJFF-QMMMGPOBSA-N 1 1 193.294 1.828 10 0 ADAEMO CCc1nc(C)c(C[C@@H]2CC[NH2+]C2)[nH]1 257836645 573603151 /nfs/dbraw/zinc/60/31/51/573603151.db2.gz KYBXMRZGOTXBFJ-VIFPVBQESA-N 1 1 193.294 1.433 10 0 ADAEMO CC[N@H+]1CC[C@H](c2cc(C=O)n[nH]2)C1 258411019 573606258 /nfs/dbraw/zinc/60/62/58/573606258.db2.gz DBEQSICXSWHKEN-QMMMGPOBSA-N 1 1 193.250 1.031 10 0 ADAEMO Cn1cc[nH+]c1C[C@H](O)C1CCC1 86751403 573603332 /nfs/dbraw/zinc/60/33/32/573603332.db2.gz CNLGWYOLSDHHHC-VIFPVBQESA-N 1 1 180.251 1.124 10 0 ADAEMO CCCn1cc[nH+]c1C[C@@H](C)O 86750096 573603345 /nfs/dbraw/zinc/60/33/45/573603345.db2.gz PGCYOENHIMRIDJ-MRVPVSSYSA-N 1 1 168.240 1.216 10 0 ADAEMO C[C@@]1(c2ncc(C[NH3+])[nH]2)CCSC1 258071351 573603781 /nfs/dbraw/zinc/60/37/81/573603781.db2.gz LMOYPUITGJERKC-SECBINFHSA-N 1 1 197.307 1.263 10 0 ADAEMO C[C@@H]1[C@H](c2cn(C)cn2)CC[N@H+]1C 238446777 573603451 /nfs/dbraw/zinc/60/34/51/573603451.db2.gz FDEFGBHHIMCLIF-RKDXNWHRSA-N 1 1 179.267 1.228 10 0 ADAEMO CCCCC[N@@H+]1CC[C@H](N)C1(C)C 259525005 573603492 /nfs/dbraw/zinc/60/34/92/573603492.db2.gz VMXMXLOCPPCZKK-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CCCCC[N@H+]1CC[C@H](N)C1(C)C 259525005 573603499 /nfs/dbraw/zinc/60/34/99/573603499.db2.gz VMXMXLOCPPCZKK-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H]1CCC[C@@H]1O 86753239 573603511 /nfs/dbraw/zinc/60/35/11/573603511.db2.gz ZLAWDESLKNZXNQ-IUCAKERBSA-N 1 1 180.251 1.124 10 0 ADAEMO C[N@H+]1CC[C@H](O)[C@H](CC(C)(F)F)C1 259525353 573603528 /nfs/dbraw/zinc/60/35/28/573603528.db2.gz APNGXZIUZMBKCE-SFYZADRCSA-N 1 1 193.237 1.344 10 0 ADAEMO C[NH2+][C@H](C(F)F)[C@]1(C)C[C@H]1C 714719204 573603546 /nfs/dbraw/zinc/60/35/46/573603546.db2.gz JDBMALUHEQSMFH-ATRFCDNQSA-N 1 1 163.211 1.886 10 0 ADAEMO Cn1cc[nH+]c1C[C@H]1CCCC[C@H]1O 86753205 573603554 /nfs/dbraw/zinc/60/35/54/573603554.db2.gz TULZUVKQHHTMBN-NXEZZACHSA-N 1 1 194.278 1.514 10 0 ADAEMO CCN(CC)[C@@H](C)C(C)(C)[NH3+] 259527729 573603586 /nfs/dbraw/zinc/60/35/86/573603586.db2.gz AVLVIFURWYZYOC-QMMMGPOBSA-N 1 1 158.289 1.454 10 0 ADAEMO CC[N@@H+]1CC[C@H](c2cc(C=O)[nH]n2)C1 258411019 573606262 /nfs/dbraw/zinc/60/62/62/573606262.db2.gz DBEQSICXSWHKEN-QMMMGPOBSA-N 1 1 193.250 1.031 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H]1CCCC[C@H]1O 86753202 573603681 /nfs/dbraw/zinc/60/36/81/573603681.db2.gz TULZUVKQHHTMBN-VHSXEESVSA-N 1 1 194.278 1.514 10 0 ADAEMO C[C@H]1[C@@H]([NH3+])C1(Cl)Cl 238446504 573603726 /nfs/dbraw/zinc/60/37/26/573603726.db2.gz RCRHNDXIACKPCI-STHAYSLISA-N 1 1 140.013 1.137 10 0 ADAEMO C[NH2+][C@H](C)Cc1cc(C2CCC2)[nH]n1 257836574 573603777 /nfs/dbraw/zinc/60/37/77/573603777.db2.gz KVBGHJNUFKBJFF-MRVPVSSYSA-N 1 1 193.294 1.828 10 0 ADAEMO CCN(CC)[C@H](C)C(C)(C)[NH3+] 259527721 573603930 /nfs/dbraw/zinc/60/39/30/573603930.db2.gz AVLVIFURWYZYOC-MRVPVSSYSA-N 1 1 158.289 1.454 10 0 ADAEMO C[NH2+][C@@H]1CC[N@H+](C2CC2)CC1(C)C 259124927 573603947 /nfs/dbraw/zinc/60/39/47/573603947.db2.gz CLNBLKGNYQZUNK-SNVBAGLBSA-N 1 1 182.311 1.469 10 0 ADAEMO C[NH2+][C@@H]1CCN(C2CC2)CC1(C)C 259124927 573603951 /nfs/dbraw/zinc/60/39/51/573603951.db2.gz CLNBLKGNYQZUNK-SNVBAGLBSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@]1(c2ncc(C[NH3+])[nH]2)CCSC1 258071353 573603976 /nfs/dbraw/zinc/60/39/76/573603976.db2.gz LMOYPUITGJERKC-VIFPVBQESA-N 1 1 197.307 1.263 10 0 ADAEMO CC[C@H](C)[C@@H](C)NN1CC[NH+](C)CC1 214448079 573604003 /nfs/dbraw/zinc/60/40/03/573604003.db2.gz HWWLITVSMOPZGD-WDEREUQCSA-N 1 1 199.342 1.173 10 0 ADAEMO COC(=O)C[C@H]1CC[N@@H+](C)[C@@H]1C(C)C 259616255 573604046 /nfs/dbraw/zinc/60/40/46/573604046.db2.gz HNMJPZKXLXKEPP-MWLCHTKSSA-N 1 1 199.294 1.526 10 0 ADAEMO CCc1nc(C)c(C[C@H]2CC[NH2+]C2)[nH]1 257836644 573604283 /nfs/dbraw/zinc/60/42/83/573604283.db2.gz KYBXMRZGOTXBFJ-SECBINFHSA-N 1 1 193.294 1.433 10 0 ADAEMO c1cc(CNCC[C@H]2CCC[NH2+]2)c[nH]1 259124635 573604309 /nfs/dbraw/zinc/60/43/09/573604309.db2.gz WFQGUUMVQBTCCU-LLVKDONJSA-N 1 1 193.294 1.246 10 0 ADAEMO CNC1(C[NH2+]CC2(C)CC2)CCCC1 308647795 573604350 /nfs/dbraw/zinc/60/43/50/573604350.db2.gz IEVOPLQKKSOTJP-UHFFFAOYSA-N 1 1 196.338 1.908 10 0 ADAEMO C[NH2+]C1(CNCC2(C)CC2)CCCC1 308647795 573604360 /nfs/dbraw/zinc/60/43/60/573604360.db2.gz IEVOPLQKKSOTJP-UHFFFAOYSA-N 1 1 196.338 1.908 10 0 ADAEMO CC[C@H]1C[N@@H+](CC2CC2)[C@@H](C)CCN1 224393690 573604366 /nfs/dbraw/zinc/60/43/66/573604366.db2.gz RHZAFDHNIDFJRJ-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H](C)[C@@H](C)NN1CC[NH+](C)CC1 214448018 573604417 /nfs/dbraw/zinc/60/44/17/573604417.db2.gz HWWLITVSMOPZGD-GHMZBOCLSA-N 1 1 199.342 1.173 10 0 ADAEMO C[NH2+][C@@H](C(C)(C)C)C1(CN)CC1 259125094 573604440 /nfs/dbraw/zinc/60/44/40/573604440.db2.gz BKEIUXJAKPBRSA-QMMMGPOBSA-N 1 1 170.300 1.359 10 0 ADAEMO CC(C)CCCC[N@@H+]1CC[C@@H](N)C1 147564924 573604522 /nfs/dbraw/zinc/60/45/22/573604522.db2.gz HVTAQGXUNLTADC-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)CCCC[N@H+]1CC[C@@H](N)C1 147564924 573604529 /nfs/dbraw/zinc/60/45/29/573604529.db2.gz HVTAQGXUNLTADC-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H]1CC(=O)[C@@H]2CCCC[N@H+]2C1 238447048 573606224 /nfs/dbraw/zinc/60/62/24/573606224.db2.gz CORZKGNKQACBQX-IUCAKERBSA-N 1 1 167.252 1.450 10 0 ADAEMO COc1c(C)cccc1C(=O)C[NH3+] 82397244 573604866 /nfs/dbraw/zinc/60/48/66/573604866.db2.gz GUPCJLTXKFUQCR-UHFFFAOYSA-N 1 1 179.219 1.145 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H]1CC[C@H](O)C1 86754456 573604931 /nfs/dbraw/zinc/60/49/31/573604931.db2.gz WRKNTFKYYLLORW-BDAKNGLRSA-N 1 1 180.251 1.124 10 0 ADAEMO C[N@H+]1CC[C@@H](O)[C@@H](CC(C)(F)F)C1 259525350 573604933 /nfs/dbraw/zinc/60/49/33/573604933.db2.gz APNGXZIUZMBKCE-JGVFFNPUSA-N 1 1 193.237 1.344 10 0 ADAEMO CC[N@H+]1CC[C@@H](c2cc(C=O)n[nH]2)C1 258411018 573604970 /nfs/dbraw/zinc/60/49/70/573604970.db2.gz DBEQSICXSWHKEN-MRVPVSSYSA-N 1 1 193.250 1.031 10 0 ADAEMO CC[N@@H+]1CC[C@@H](c2cc(C=O)[nH]n2)C1 258411018 573604980 /nfs/dbraw/zinc/60/49/80/573604980.db2.gz DBEQSICXSWHKEN-MRVPVSSYSA-N 1 1 193.250 1.031 10 0 ADAEMO COC(=O)C1=C(C(C)C)C[N@@H+](C)CC1 257836638 573605043 /nfs/dbraw/zinc/60/50/43/573605043.db2.gz KXZRKFAJIDDBDG-UHFFFAOYSA-N 1 1 197.278 1.448 10 0 ADAEMO C[C@H]1CCC[N@H+]2CC(=O)C[C@@H]12 238446006 573605279 /nfs/dbraw/zinc/60/52/79/573605279.db2.gz NXJCSOCNWVERKU-CBAPKCEASA-N 1 1 153.225 1.060 10 0 ADAEMO C[C@H]1CC[C@H]2CC(=O)CC[N@@H+]12 238446578 573605299 /nfs/dbraw/zinc/60/52/99/573605299.db2.gz QDCPUTZWIOFVBK-YUMQZZPRSA-N 1 1 153.225 1.202 10 0 ADAEMO CNC[N@H+](C)C1CCCCC1 258819161 573605488 /nfs/dbraw/zinc/60/54/88/573605488.db2.gz GBPUHBALIDNVRY-UHFFFAOYSA-N 1 1 156.273 1.428 10 0 ADAEMO CNC[N@@H+](C)C1CCCCC1 258819161 573605491 /nfs/dbraw/zinc/60/54/91/573605491.db2.gz GBPUHBALIDNVRY-UHFFFAOYSA-N 1 1 156.273 1.428 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H]1CC[C@@H](O)C1 86754460 573605593 /nfs/dbraw/zinc/60/55/93/573605593.db2.gz WRKNTFKYYLLORW-RKDXNWHRSA-N 1 1 180.251 1.124 10 0 ADAEMO C[Si](C)(C)[C@@H]1CC[C@H](N)[C@@H]([NH3+])C1 238446323 573605703 /nfs/dbraw/zinc/60/57/03/573605703.db2.gz KYGXVNVHXWHACO-VGMNWLOBSA-N 1 1 186.375 1.533 10 0 ADAEMO C[Si](C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](N)C1 238446323 573605711 /nfs/dbraw/zinc/60/57/11/573605711.db2.gz KYGXVNVHXWHACO-VGMNWLOBSA-N 1 1 186.375 1.533 10 0 ADAEMO Cn1cc[nH+]c1C[C@H]1CC[C@H](O)C1 86754458 573605721 /nfs/dbraw/zinc/60/57/21/573605721.db2.gz WRKNTFKYYLLORW-IUCAKERBSA-N 1 1 180.251 1.124 10 0 ADAEMO Cn1cc[nH+]c1C[C@H]1CCC[C@H](O)C1 86754482 573605888 /nfs/dbraw/zinc/60/58/88/573605888.db2.gz LNIRGUDCLINWOQ-UWVGGRQHSA-N 1 1 194.278 1.514 10 0 ADAEMO CCc1nc(CC(C)(C)C[NH3+])[nH]c1C 258504601 573605979 /nfs/dbraw/zinc/60/59/79/573605979.db2.gz FGHWPCAGNGRJSQ-UHFFFAOYSA-N 1 1 195.310 1.808 10 0 ADAEMO CCc1[nH]c(CC(C)(C)C[NH3+])nc1C 258504601 573605985 /nfs/dbraw/zinc/60/59/85/573605985.db2.gz FGHWPCAGNGRJSQ-UHFFFAOYSA-N 1 1 195.310 1.808 10 0 ADAEMO Cc1ccc([C@@H]([NH3+])NN)c(C)c1C 259525918 573606081 /nfs/dbraw/zinc/60/60/81/573606081.db2.gz SLLGWKJJSWOVNJ-JTQLQIEISA-N 1 1 179.267 1.032 10 0 ADAEMO C[C@H]1CC[C@H]2CCC=C(C(N)=O)[N@@H+]12 238447121 573606133 /nfs/dbraw/zinc/60/61/33/573606133.db2.gz KBOXLQAIKGVDAT-JGVFFNPUSA-N 1 1 180.251 1.002 10 0 ADAEMO COC(=O)[C@@]12CCC[N@H+]1C(C)(C)CC2 259525778 573606505 /nfs/dbraw/zinc/60/65/05/573606505.db2.gz DURFBDRORGRAQK-NSHDSACASA-N 1 1 197.278 1.566 10 0 ADAEMO N[C@@H](c1cc[nH]c1)[C@H]1CCC[NH2+]C1 259127839 573608596 /nfs/dbraw/zinc/60/85/96/573608596.db2.gz CHWRTYBHZXARQE-WCBMZHEXSA-N 1 1 179.267 1.014 10 0 ADAEMO CCCc1[nH+]c(C)c(O)c(C)c1CO 142766172 573608925 /nfs/dbraw/zinc/60/89/25/573608925.db2.gz PREQFPSZBRYUAB-UHFFFAOYSA-N 1 1 195.262 1.849 10 0 ADAEMO Cn1cc[nH+]c1C[C@H]1CCC[C@@H](O)C1 86754486 573607512 /nfs/dbraw/zinc/60/75/12/573607512.db2.gz LNIRGUDCLINWOQ-VHSXEESVSA-N 1 1 194.278 1.514 10 0 ADAEMO C[N@H+]1CC[C@H](C2CCC(O)CC2)C1 259128246 573607572 /nfs/dbraw/zinc/60/75/72/573607572.db2.gz GUUSFDZJLOASNN-YVNMAJEFSA-N 1 1 183.295 1.489 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H]1CC[C@@H](O)C1 86754452 573607654 /nfs/dbraw/zinc/60/76/54/573607654.db2.gz JPZDCDUIUAMGLI-NXEZZACHSA-N 1 1 194.278 1.607 10 0 ADAEMO N[C@@H](c1cc[nH]c1)[C@@H]1CCC[NH2+]C1 259127834 573607979 /nfs/dbraw/zinc/60/79/79/573607979.db2.gz CHWRTYBHZXARQE-PSASIEDQSA-N 1 1 179.267 1.014 10 0 ADAEMO CCn1cc[nH+]c1C[C@H]1CC[C@@H](O)C1 86754454 573608014 /nfs/dbraw/zinc/60/80/14/573608014.db2.gz JPZDCDUIUAMGLI-VHSXEESVSA-N 1 1 194.278 1.607 10 0 ADAEMO COc1cccc([C@@H]([NH3+])C2(N)CC2)c1 259127924 573608090 /nfs/dbraw/zinc/60/80/90/573608090.db2.gz ASTBNLPRFJNPRW-SNVBAGLBSA-N 1 1 192.262 1.186 10 0 ADAEMO N[C@H](c1cc[nH]c1)[C@H]1CCC[NH2+]C1 259129993 573608122 /nfs/dbraw/zinc/60/81/22/573608122.db2.gz CHWRTYBHZXARQE-WPRPVWTQSA-N 1 1 179.267 1.014 10 0 ADAEMO CN1CC[N@@H+](C)[C@@H](C2CCC2)C1 259130821 573608177 /nfs/dbraw/zinc/60/81/77/573608177.db2.gz SKEICJRZWGXLNA-SNVBAGLBSA-N 1 1 168.284 1.032 10 0 ADAEMO CN1CC[N@H+](C)C[C@@H]1C1CCC1 259130821 573608181 /nfs/dbraw/zinc/60/81/81/573608181.db2.gz SKEICJRZWGXLNA-SNVBAGLBSA-N 1 1 168.284 1.032 10 0 ADAEMO CN1CC[N@@H+](C)C[C@@H]1C1CCC1 259130821 573608186 /nfs/dbraw/zinc/60/81/86/573608186.db2.gz SKEICJRZWGXLNA-SNVBAGLBSA-N 1 1 168.284 1.032 10 0 ADAEMO C/C=C/CC[NH2+][C@H](C)[C@H](C)N 393667464 573608291 /nfs/dbraw/zinc/60/82/91/573608291.db2.gz GZFDAMAXXMCANC-HYNBTVFTSA-N 1 1 156.273 1.278 10 0 ADAEMO CCn1cc[nH+]c1C[C@@H]1CC[C@H](O)C1 86754448 573608301 /nfs/dbraw/zinc/60/83/01/573608301.db2.gz JPZDCDUIUAMGLI-ZJUUUORDSA-N 1 1 194.278 1.607 10 0 ADAEMO CC(C)[N@H+]1CCC(=O)C(C)(C)C1 259129206 573608363 /nfs/dbraw/zinc/60/83/63/573608363.db2.gz CSTBGEYMZPHEHM-UHFFFAOYSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@@H](C)[C@H](C)NN1CC[NH+](C)CC1 214448133 573608472 /nfs/dbraw/zinc/60/84/72/573608472.db2.gz HWWLITVSMOPZGD-MNOVXSKESA-N 1 1 199.342 1.173 10 0 ADAEMO CC[C@@H](C[NH3+])[C@H](N)c1cccnc1 259527500 573608475 /nfs/dbraw/zinc/60/84/75/573608475.db2.gz SOBLAGHUUJLWKX-WPRPVWTQSA-N 1 1 179.267 1.066 10 0 ADAEMO C[C@@]1(C2CCCCC2)C[NH2+]CCN1 259130834 573608511 /nfs/dbraw/zinc/60/85/11/573608511.db2.gz SKKSSNJMNICXHI-NSHDSACASA-N 1 1 182.311 1.518 10 0 ADAEMO C[NH2+]Cc1c[nH]c(C2CCOCC2)n1 83719955 573608518 /nfs/dbraw/zinc/60/85/18/573608518.db2.gz XVXOFIMCFWFFPV-UHFFFAOYSA-N 1 1 195.266 1.023 10 0 ADAEMO CCCc1cc(CCC[NH2+]C)n[nH]1 257837096 573608592 /nfs/dbraw/zinc/60/85/92/573608592.db2.gz LHPHFXKIRDVMCI-UHFFFAOYSA-N 1 1 181.283 1.514 10 0 ADAEMO Cn1cc[nH+]c1C[C@H]1CC[C@@H](O)C1 86754463 573608564 /nfs/dbraw/zinc/60/85/64/573608564.db2.gz WRKNTFKYYLLORW-DTWKUNHWSA-N 1 1 180.251 1.124 10 0 ADAEMO CCC[C@@H]([NH2+]C)C1(CN)CCC1 259127414 573609315 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ADAEMO CCn1ccnc1NC[C@H](C)[NH+](C)C 50614111 573611000 /nfs/dbraw/zinc/61/10/00/573611000.db2.gz TZHAPPZQWJVVOI-VIFPVBQESA-N 1 1 196.298 1.265 10 0 ADAEMO CNOCC[C@@H]1CCC[N@H+]1C(C)C 258069474 573610497 /nfs/dbraw/zinc/61/04/97/573610497.db2.gz VUXXJHWEXSYPQV-JTQLQIEISA-N 1 1 186.299 1.400 10 0 ADAEMO C[C@@H]([NH3+])C(F)(F)c1ccncc1 259127429 573610544 /nfs/dbraw/zinc/61/05/44/573610544.db2.gz LMIGSDIEDKLGFM-ZCFIWIBFSA-N 1 1 172.178 1.521 10 0 ADAEMO NC1(C[NH2+]CC2CCCC2)CC1 259126137 573610576 /nfs/dbraw/zinc/61/05/76/573610576.db2.gz QHKFTZSZCAHWNU-UHFFFAOYSA-N 1 1 168.284 1.258 10 0 ADAEMO C[C@H]([NH2+]C[C@@H]1CCN(C)C1)C(C)(C)C 686247311 573610590 /nfs/dbraw/zinc/61/05/90/573610590.db2.gz WMZOMKMRGIUYET-QWRGUYRKSA-N 1 1 198.354 1.962 10 0 ADAEMO CCn1ccnc1NC[C@@H](C)[NH+](C)C 50614110 573610601 /nfs/dbraw/zinc/61/06/01/573610601.db2.gz TZHAPPZQWJVVOI-SECBINFHSA-N 1 1 196.298 1.265 10 0 ADAEMO CC1(C)CC[C@H](N)C(C)(C)[NH2+]1 142760025 573610630 /nfs/dbraw/zinc/61/06/30/573610630.db2.gz 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CCC[C@@H](N)[C@H]1CCCC[NH2+]1 259528983 573612363 /nfs/dbraw/zinc/61/23/63/573612363.db2.gz WGOITRUPFSUCJD-RKDXNWHRSA-N 1 1 156.273 1.256 10 0 ADAEMO CCn1ccnc1N[C@@H](C)C[NH+](C)C 130616750 573611885 /nfs/dbraw/zinc/61/18/85/573611885.db2.gz MDOCWNDGMPSOCC-VIFPVBQESA-N 1 1 196.298 1.265 10 0 ADAEMO CN1CC[N@@H+](C)[C@H](C2CCC2)C1 259130814 573612004 /nfs/dbraw/zinc/61/20/04/573612004.db2.gz SKEICJRZWGXLNA-JTQLQIEISA-N 1 1 168.284 1.032 10 0 ADAEMO CN1CC[N@H+](C)C[C@H]1C1CCC1 259130814 573612006 /nfs/dbraw/zinc/61/20/06/573612006.db2.gz SKEICJRZWGXLNA-JTQLQIEISA-N 1 1 168.284 1.032 10 0 ADAEMO CN1CC[N@@H+](C)C[C@H]1C1CCC1 259130814 573612010 /nfs/dbraw/zinc/61/20/10/573612010.db2.gz SKEICJRZWGXLNA-JTQLQIEISA-N 1 1 168.284 1.032 10 0 ADAEMO CC[N@H+]1CCC(C)(C)[C@@H](CCO)C1 259127525 573612019 /nfs/dbraw/zinc/61/20/19/573612019.db2.gz CQZBDKVZUIQYLF-JTQLQIEISA-N 1 1 185.311 1.737 10 0 ADAEMO COC[C@H](C)C[N@@H+](C)[C@H](C)C(C)=O 308406058 573612122 /nfs/dbraw/zinc/61/21/22/573612122.db2.gz 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573612471 /nfs/dbraw/zinc/61/24/71/573612471.db2.gz DKKQREHZHOEZJM-QMMMGPOBSA-N 1 1 180.251 1.000 10 0 ADAEMO C[C@]1(C2CCCCC2)C[NH2+]CCN1 259130826 573612584 /nfs/dbraw/zinc/61/25/84/573612584.db2.gz SKKSSNJMNICXHI-LLVKDONJSA-N 1 1 182.311 1.518 10 0 ADAEMO COC[C@@H](C)C[N@@H+](C)[C@H](C)C(C)=O 308406056 573612585 /nfs/dbraw/zinc/61/25/85/573612585.db2.gz LUFZQJXGXDYWHO-DTWKUNHWSA-N 1 1 187.283 1.178 10 0 ADAEMO CC[C@@H](C[NH3+])CN1CC[C@H](F)C1 689908871 573612593 /nfs/dbraw/zinc/61/25/93/573612593.db2.gz YBPWOTBMQPARAP-IUCAKERBSA-N 1 1 174.263 1.015 10 0 ADAEMO CNc1nc[nH+]c2cc(N)ccc12 83729745 573612639 /nfs/dbraw/zinc/61/26/39/573612639.db2.gz HINRZFHPTSQBRD-UHFFFAOYSA-N 1 1 174.207 1.254 10 0 ADAEMO CC[C@H]1CN([C@@H]2CC23CC3)CCC[NH2+]1 715319043 573612679 /nfs/dbraw/zinc/61/26/79/573612679.db2.gz JDMHCBQGEJRELT-WDEREUQCSA-N 1 1 194.322 1.613 10 0 ADAEMO N[C@H](c1cc[nH]c1)[C@@H]1CCC[NH2+]C1 259127837 573612767 /nfs/dbraw/zinc/61/27/67/573612767.db2.gz CHWRTYBHZXARQE-SCZZXKLOSA-N 1 1 179.267 1.014 10 0 ADAEMO CC[C@H](C[NH3+])[C@H](N)c1cccnc1 259527498 573612916 /nfs/dbraw/zinc/61/29/16/573612916.db2.gz SOBLAGHUUJLWKX-SCZZXKLOSA-N 1 1 179.267 1.066 10 0 ADAEMO C[C@H]([NH2+]C[C@H]1CCN(C)C1)C(C)(C)C 686247314 573612796 /nfs/dbraw/zinc/61/27/96/573612796.db2.gz WMZOMKMRGIUYET-WDEREUQCSA-N 1 1 198.354 1.962 10 0 ADAEMO Cc1ccsc1[C@@H]([NH3+])C1(N)CC1 259127832 573612820 /nfs/dbraw/zinc/61/28/20/573612820.db2.gz ASAQKNRHVUATEO-MRVPVSSYSA-N 1 1 182.292 1.548 10 0 ADAEMO CC[C@H](C[NH3+])CN1CC[C@H](F)C1 689908866 573613884 /nfs/dbraw/zinc/61/38/84/573613884.db2.gz YBPWOTBMQPARAP-BDAKNGLRSA-N 1 1 174.263 1.015 10 0 ADAEMO CC1CCC([C@@H]([NH3+])c2nc[nH]n2)CC1 83746374 573613745 /nfs/dbraw/zinc/61/37/45/573613745.db2.gz JSSOCJMYJNMFBO-AMDVSUOASA-N 1 1 194.282 1.631 10 0 ADAEMO C[C@@H]1CCCCC[C@@H]1NC1=[NH+]CCO1 238449303 573613803 /nfs/dbraw/zinc/61/38/03/573613803.db2.gz WEDXEZNCSIIUSB-ZJUUUORDSA-N 1 1 196.294 1.931 10 0 ADAEMO CC(C)(C)[C@@H]1[C@@H]([NH3+])C2CCN1CC2 259530464 573613824 /nfs/dbraw/zinc/61/38/24/573613824.db2.gz BCAQIGUVFMERNH-UWVGGRQHSA-N 1 1 182.311 1.454 10 0 ADAEMO CC(C)[NH2+]Cc1nnc(CC2CC2)o1 50616061 573613844 /nfs/dbraw/zinc/61/38/44/573613844.db2.gz OKHKBABXFAAWII-UHFFFAOYSA-N 1 1 195.266 1.520 10 0 ADAEMO CC[C@@H](C[NH3+])CN1CC[C@@H](F)C1 689908869 573615009 /nfs/dbraw/zinc/61/50/09/573615009.db2.gz YBPWOTBMQPARAP-DTWKUNHWSA-N 1 1 174.263 1.015 10 0 ADAEMO CCCCc1ncc(C[NH3+])[nH]1 78676111 573615026 /nfs/dbraw/zinc/61/50/26/573615026.db2.gz ILZLIFPLTBJHNT-UHFFFAOYSA-N 1 1 153.229 1.211 10 0 ADAEMO C[C@H](O)c1cnc([C@H]2CCC[N@@H+]2C)o1 258070380 573615621 /nfs/dbraw/zinc/61/56/21/573615621.db2.gz LWXKOGVTUKAMCV-JGVFFNPUSA-N 1 1 196.250 1.495 10 0 ADAEMO CC(C)[C@@H]1CNCC[N@H+]1[C@@H]1CC12CC2 715318330 573614683 /nfs/dbraw/zinc/61/46/83/573614683.db2.gz CMGHQXZLRJWERO-WDEREUQCSA-N 1 1 194.322 1.469 10 0 ADAEMO CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CC12CC2 715318330 573614687 /nfs/dbraw/zinc/61/46/87/573614687.db2.gz CMGHQXZLRJWERO-WDEREUQCSA-N 1 1 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MCVPLTUXJOLZPS-ZJUUUORDSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@]1(CO)CCC[N@H+](C2CC2)C1 107457371 573619588 /nfs/dbraw/zinc/61/95/88/573619588.db2.gz CROCSAMURRZOAW-JTQLQIEISA-N 1 1 169.268 1.243 10 0 ADAEMO CCC[N@H+]1CCCC(=O)C1(C)C 258823852 573619729 /nfs/dbraw/zinc/61/97/29/573619729.db2.gz OVLPFRJGQSPVLR-UHFFFAOYSA-N 1 1 169.268 1.840 10 0 ADAEMO CCC[N@H+]1CC[C@](C)(CO)C1 107455961 573619737 /nfs/dbraw/zinc/61/97/37/573619737.db2.gz CRRHOVVPKYNBIN-VIFPVBQESA-N 1 1 157.257 1.101 10 0 ADAEMO CC(C)C[N@@H+](C)CCn1cc(N)cn1 50614662 573619742 /nfs/dbraw/zinc/61/97/42/573619742.db2.gz NNPSXNISUPNFAZ-UHFFFAOYSA-N 1 1 196.298 1.053 10 0 ADAEMO CC(C)(C)[C@@H]1[C@H]([NH3+])C2CCN1CC2 259530493 573619799 /nfs/dbraw/zinc/61/97/99/573619799.db2.gz BCAQIGUVFMERNH-ZJUUUORDSA-N 1 1 182.311 1.454 10 0 ADAEMO COC(=O)[C@@H]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 259529450 573619860 /nfs/dbraw/zinc/61/98/60/573619860.db2.gz FBUZQGKLODECBU-OPRDCNLKSA-N 1 1 197.278 1.280 10 0 ADAEMO CCC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 308408108 573620013 /nfs/dbraw/zinc/62/00/13/573620013.db2.gz KRCMUBIUQLRXAX-QWRGUYRKSA-N 1 1 185.311 1.879 10 0 ADAEMO c1cc(C[NH2+]Cc2ccoc2)ncn1 130618139 573620108 /nfs/dbraw/zinc/62/01/08/573620108.db2.gz OBNURNHJJZPEFC-UHFFFAOYSA-N 1 1 189.218 1.359 10 0 ADAEMO CCC[C@H]1NC[C@@H]2CCCC[N@@H+]21 142797836 573620113 /nfs/dbraw/zinc/62/01/13/573620113.db2.gz FRBNXIKJUMSWEB-UWVGGRQHSA-N 1 1 168.284 1.570 10 0 ADAEMO CCC[C@H]1NC[C@@H]2CCCC[N@H+]21 142797836 573620116 /nfs/dbraw/zinc/62/01/16/573620116.db2.gz FRBNXIKJUMSWEB-UWVGGRQHSA-N 1 1 168.284 1.570 10 0 ADAEMO CCCc1[nH]c(CCC[NH2+]C)nc1C 258823656 573620322 /nfs/dbraw/zinc/62/03/22/573620322.db2.gz YXAADWLRVQBIKR-UHFFFAOYSA-N 1 1 195.310 1.823 10 0 ADAEMO CCC(CC)C[N@H+]1CCNC[C@H](C)C1 130517162 573620336 /nfs/dbraw/zinc/62/03/36/573620336.db2.gz SMLJGFYXFFPHFW-NSHDSACASA-N 1 1 198.354 1.964 10 0 ADAEMO CCC[C@@H]1NC[C@@H]2CCCC[N@@H+]21 142797631 573620484 /nfs/dbraw/zinc/62/04/84/573620484.db2.gz FRBNXIKJUMSWEB-VHSXEESVSA-N 1 1 168.284 1.570 10 0 ADAEMO CCC[C@@H]1NC[C@@H]2CCCC[N@H+]21 142797631 573620489 /nfs/dbraw/zinc/62/04/89/573620489.db2.gz FRBNXIKJUMSWEB-VHSXEESVSA-N 1 1 168.284 1.570 10 0 ADAEMO NC1([C@@H]([NH3+])c2ccccc2F)CC1 259530941 573620512 /nfs/dbraw/zinc/62/05/12/573620512.db2.gz SUSCQWLECDCHQO-VIFPVBQESA-N 1 1 180.226 1.317 10 0 ADAEMO C[C@@H]1[C@H](c2ccccc2)NCC[N@H+]1C 107462268 573620889 /nfs/dbraw/zinc/62/08/89/573620889.db2.gz WYMVCYMGIWEEFN-ZYHUDNBSSA-N 1 1 190.290 1.651 10 0 ADAEMO [NH3+]CC(=O)c1occc1Cl 82405395 573620573 /nfs/dbraw/zinc/62/05/73/573620573.db2.gz GYKDAGTXWLTWDG-UHFFFAOYSA-N 1 1 159.572 1.074 10 0 ADAEMO CN[C@H](c1ccc(C)c(C)c1)[C@H](C)[NH3+] 259530823 573620592 /nfs/dbraw/zinc/62/05/92/573620592.db2.gz STYACUSSGXYOJR-JQWIXIFHSA-N 1 1 192.306 1.911 10 0 ADAEMO Cn1ccc(NC(=[NH2+])C(C)(C)C)n1 86781438 573620604 /nfs/dbraw/zinc/62/06/04/573620604.db2.gz HZFYTWKGBQCKQC-UHFFFAOYSA-N 1 1 180.255 1.855 10 0 ADAEMO COC1CC([N@@H+](C)CCC2CC2)C1 308408128 573620647 /nfs/dbraw/zinc/62/06/47/573620647.db2.gz KRTRDXZZGLMMKO-UHFFFAOYSA-N 1 1 183.295 1.896 10 0 ADAEMO CC(C)c1nc2c(o1)CC[NH2+]C2 82402921 573620661 /nfs/dbraw/zinc/62/06/61/573620661.db2.gz FKUVULSORLIMDE-UHFFFAOYSA-N 1 1 166.224 1.444 10 0 ADAEMO FC1(C[NH2+]Cc2cnc[nH]2)CCC1 308407572 573620709 /nfs/dbraw/zinc/62/07/09/573620709.db2.gz MSGXPAKQEQEHIR-UHFFFAOYSA-N 1 1 183.230 1.392 10 0 ADAEMO C[C@@H]1[C@H](c2ccccc2)NCC[N@@H+]1C 107462268 573620883 /nfs/dbraw/zinc/62/08/83/573620883.db2.gz WYMVCYMGIWEEFN-ZYHUDNBSSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@@H]1NCC[N@H+](C)[C@@H]1c1ccccc1 107462265 573620967 /nfs/dbraw/zinc/62/09/67/573620967.db2.gz VSTYDVWWDQARQI-JQWIXIFHSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@@H]1NCC[N@@H+](C)[C@@H]1c1ccccc1 107462265 573620971 /nfs/dbraw/zinc/62/09/71/573620971.db2.gz VSTYDVWWDQARQI-JQWIXIFHSA-N 1 1 190.290 1.651 10 0 ADAEMO C[N@H+](CO)Cc1ccc(Cl)cc1 258823442 573621020 /nfs/dbraw/zinc/62/10/20/573621020.db2.gz AOYPILUUWOLHHW-UHFFFAOYSA-N 1 1 185.654 1.722 10 0 ADAEMO C[N@@H+](CO)Cc1ccc(Cl)cc1 258823442 573621028 /nfs/dbraw/zinc/62/10/28/573621028.db2.gz AOYPILUUWOLHHW-UHFFFAOYSA-N 1 1 185.654 1.722 10 0 ADAEMO CCC[C@@H]1NC[C@H]2CCCC[N@@H+]21 142797194 573621041 /nfs/dbraw/zinc/62/10/41/573621041.db2.gz FRBNXIKJUMSWEB-NXEZZACHSA-N 1 1 168.284 1.570 10 0 ADAEMO CCCC(=[NH2+])Nc1ccn(C)n1 86781422 573621043 /nfs/dbraw/zinc/62/10/43/573621043.db2.gz PKINTYMOZAKJND-UHFFFAOYSA-N 1 1 166.228 1.609 10 0 ADAEMO CCC[C@@H]1NC[C@H]2CCCC[N@H+]21 142797194 573621048 /nfs/dbraw/zinc/62/10/48/573621048.db2.gz FRBNXIKJUMSWEB-NXEZZACHSA-N 1 1 168.284 1.570 10 0 ADAEMO C[C@H](CCN(C)C)[NH2+]C[C@H](C)C1CC1 308643996 573621104 /nfs/dbraw/zinc/62/11/04/573621104.db2.gz FYKNFJUNJPPGFK-WDEREUQCSA-N 1 1 198.354 1.962 10 0 ADAEMO CCC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 308408106 573621145 /nfs/dbraw/zinc/62/11/45/573621145.db2.gz KRCMUBIUQLRXAX-MNOVXSKESA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@@H](C)N 308643936 573621310 /nfs/dbraw/zinc/62/13/10/573621310.db2.gz FVIGBCJILFWPOY-BDAKNGLRSA-N 1 1 196.338 1.748 10 0 ADAEMO C[C@H]([NH3+])c1cccc2nc[nH]c12 82405055 573621366 /nfs/dbraw/zinc/62/13/66/573621366.db2.gz GVTPLWBJPIXJAH-LURJTMIESA-N 1 1 161.208 1.583 10 0 ADAEMO CCC[NH2+]Cc1nnc(C(F)F)o1 50615836 573621378 /nfs/dbraw/zinc/62/13/78/573621378.db2.gz AUZLOFMANUXHJA-UHFFFAOYSA-N 1 1 191.181 1.507 10 0 ADAEMO CCOC(=O)[C@H]1C[C@@H](C)CC[N@@H+](C)C1 259532263 573624131 /nfs/dbraw/zinc/62/41/31/573624131.db2.gz FJWAIAUUWYAUFQ-UWVGGRQHSA-N 1 1 199.294 1.527 10 0 ADAEMO Cc1ccc(CC[N@@H+](C)CO)o1 258823359 573624181 /nfs/dbraw/zinc/62/41/81/573624181.db2.gz AKEBVUZOUCKIKG-UHFFFAOYSA-N 1 1 169.224 1.012 10 0 ADAEMO C[C@H]([NH2+]CCc1nc[nH]n1)C(C)(C)C 130546966 573623063 /nfs/dbraw/zinc/62/30/63/573623063.db2.gz WBXQOJSUQCWQHA-QMMMGPOBSA-N 1 1 196.298 1.371 10 0 ADAEMO CN[C@@H](c1ccc(C)c(C)c1)[C@@H](C)[NH3+] 259530833 573623079 /nfs/dbraw/zinc/62/30/79/573623079.db2.gz STYACUSSGXYOJR-ZYHUDNBSSA-N 1 1 192.306 1.911 10 0 ADAEMO CC(C)[C@H]1NC[C@@H]2CCCC[N@@H+]21 142798633 573623223 /nfs/dbraw/zinc/62/32/23/573623223.db2.gz UTBZVIWKTRYIMO-UWVGGRQHSA-N 1 1 168.284 1.426 10 0 ADAEMO CC(C)[C@H]1NC[C@@H]2CCCC[N@H+]21 142798633 573623228 /nfs/dbraw/zinc/62/32/28/573623228.db2.gz UTBZVIWKTRYIMO-UWVGGRQHSA-N 1 1 168.284 1.426 10 0 ADAEMO CCOC(=O)[C@@H]1C[C@@H](C)CC[N@@H+](C)C1 259532266 573623233 /nfs/dbraw/zinc/62/32/33/573623233.db2.gz FJWAIAUUWYAUFQ-VHSXEESVSA-N 1 1 199.294 1.527 10 0 ADAEMO C[C@@H]([NH2+]CCc1nc[nH]n1)C(C)(C)C 130547163 573623265 /nfs/dbraw/zinc/62/32/65/573623265.db2.gz WBXQOJSUQCWQHA-MRVPVSSYSA-N 1 1 196.298 1.371 10 0 ADAEMO COc1ccc2c(N)cn[nH+]c2c1 259530264 573623277 /nfs/dbraw/zinc/62/32/77/573623277.db2.gz BAVUSAQFRDCYFP-UHFFFAOYSA-N 1 1 175.191 1.221 10 0 ADAEMO CC[C@@]1(CCN(C)C)CCCC[NH2+]1 258070478 573623387 /nfs/dbraw/zinc/62/33/87/573623387.db2.gz UKNIVOBYEVUFJM-NSHDSACASA-N 1 1 184.327 1.860 10 0 ADAEMO C[C@@H](O)C[NH2+]Cc1coc(C2CC2)n1 308643807 573623499 /nfs/dbraw/zinc/62/34/99/573623499.db2.gz GJEDBKDDPVVCMZ-SSDOTTSWSA-N 1 1 196.250 1.022 10 0 ADAEMO C1C[C@@H]2NC[C@H]3CCCC[N@H+]3[C@H]2C1 107459643 573624090 /nfs/dbraw/zinc/62/40/90/573624090.db2.gz VFIUALILQYPGST-VWYCJHECSA-N 1 1 180.295 1.365 10 0 ADAEMO C1C[C@@H]2[NH2+]C[C@H]3CCCCN3[C@H]2C1 107459643 573624095 /nfs/dbraw/zinc/62/40/95/573624095.db2.gz VFIUALILQYPGST-VWYCJHECSA-N 1 1 180.295 1.365 10 0 ADAEMO C[C@@H](CCN(C)C)[NH2+]C[C@H](C)C1CC1 308643995 573623636 /nfs/dbraw/zinc/62/36/36/573623636.db2.gz FYKNFJUNJPPGFK-QWRGUYRKSA-N 1 1 198.354 1.962 10 0 ADAEMO C[C@H]1NCC[N@H+](C)[C@@H]1c1ccccc1 107462263 573623696 /nfs/dbraw/zinc/62/36/96/573623696.db2.gz VSTYDVWWDQARQI-PWSUYJOCSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@H]1NCC[N@@H+](C)[C@@H]1c1ccccc1 107462263 573623698 /nfs/dbraw/zinc/62/36/98/573623698.db2.gz VSTYDVWWDQARQI-PWSUYJOCSA-N 1 1 190.290 1.651 10 0 ADAEMO C1CC[C@@H]2[C@@H](C1)CC[C@@H]1CNCC[N@@H+]12 142832103 573623776 /nfs/dbraw/zinc/62/37/76/573623776.db2.gz RQBHEKVIDOYGRO-QJPTWQEYSA-N 1 1 194.322 1.613 10 0 ADAEMO C1CC[C@@H]2[C@@H](C1)CC[C@@H]1C[NH2+]CCN12 142832103 573623785 /nfs/dbraw/zinc/62/37/85/573623785.db2.gz RQBHEKVIDOYGRO-QJPTWQEYSA-N 1 1 194.322 1.613 10 0 ADAEMO C[C@H](CCN(C)C)[NH2+][C@@H]1[C@H]2CCC[C@H]21 308659457 573624004 /nfs/dbraw/zinc/62/40/04/573624004.db2.gz PLDSEVKMIBWPLV-WYUUTHIRSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)(C)[C@@H]1NC[C@H]2CCCC[N@@H+]21 142800484 573624285 /nfs/dbraw/zinc/62/42/85/573624285.db2.gz PJFNIXLCYJAWEU-NXEZZACHSA-N 1 1 182.311 1.816 10 0 ADAEMO C[C@H]1[C@H](c2ccccc2)NCC[N@@H+]1C 107462271 573624287 /nfs/dbraw/zinc/62/42/87/573624287.db2.gz WYMVCYMGIWEEFN-CMPLNLGQSA-N 1 1 190.290 1.651 10 0 ADAEMO CC(C)(C)[C@@H]1NC[C@H]2CCCC[N@H+]21 142800484 573624289 /nfs/dbraw/zinc/62/42/89/573624289.db2.gz PJFNIXLCYJAWEU-NXEZZACHSA-N 1 1 182.311 1.816 10 0 ADAEMO C[C@H]1[C@H](c2ccccc2)NCC[N@H+]1C 107462271 573624293 /nfs/dbraw/zinc/62/42/93/573624293.db2.gz WYMVCYMGIWEEFN-CMPLNLGQSA-N 1 1 190.290 1.651 10 0 ADAEMO CC(C)(C)[C@@H]1NC[C@@H]2CCCC[N@@H+]21 142800896 573624361 /nfs/dbraw/zinc/62/43/61/573624361.db2.gz PJFNIXLCYJAWEU-VHSXEESVSA-N 1 1 182.311 1.816 10 0 ADAEMO CC(C)(C)[C@@H]1NC[C@@H]2CCCC[N@H+]21 142800896 573624362 /nfs/dbraw/zinc/62/43/62/573624362.db2.gz PJFNIXLCYJAWEU-VHSXEESVSA-N 1 1 182.311 1.816 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+]CC(C1CC1)C1CC1 308643937 573624411 /nfs/dbraw/zinc/62/44/11/573624411.db2.gz FVIGBCJILFWPOY-DTWKUNHWSA-N 1 1 196.338 1.748 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]CC(C1CC1)C1CC1 308643938 573624649 /nfs/dbraw/zinc/62/46/49/573624649.db2.gz FVIGBCJILFWPOY-IUCAKERBSA-N 1 1 196.338 1.748 10 0 ADAEMO CCC[C@@H](N)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308659365 573624734 /nfs/dbraw/zinc/62/47/34/573624734.db2.gz PINMKJWIEYUFSJ-WYUUTHIRSA-N 1 1 196.338 1.892 10 0 ADAEMO C[C@@H](CCN(C)C)[NH2+]C[C@@H](C)C1CC1 308643994 573624855 /nfs/dbraw/zinc/62/48/55/573624855.db2.gz FYKNFJUNJPPGFK-MNOVXSKESA-N 1 1 198.354 1.962 10 0 ADAEMO C1CC[C@@H]2[C@H](C1)CC[C@@H]1CNCC[N@@H+]12 142832546 573624872 /nfs/dbraw/zinc/62/48/72/573624872.db2.gz RQBHEKVIDOYGRO-IJLUTSLNSA-N 1 1 194.322 1.613 10 0 ADAEMO C1CC[C@@H]2[C@H](C1)CC[C@@H]1C[NH2+]CCN12 142832546 573624878 /nfs/dbraw/zinc/62/48/78/573624878.db2.gz RQBHEKVIDOYGRO-IJLUTSLNSA-N 1 1 194.322 1.613 10 0 ADAEMO CCC[NH2+]Cc1nnc(COCC)o1 50615827 573624891 /nfs/dbraw/zinc/62/48/91/573624891.db2.gz YUPZDJICXGBRAT-UHFFFAOYSA-N 1 1 199.254 1.106 10 0 ADAEMO CNCC(F)(F)C[C@H]1CC[N@@H+](C)C1 257834143 573624917 /nfs/dbraw/zinc/62/49/17/573624917.db2.gz KHPJRQLHHRCDIJ-MRVPVSSYSA-N 1 1 192.253 1.183 10 0 ADAEMO C[C@]1(CO)CC[N@H+](C2CCCC2)C1 107460513 573624972 /nfs/dbraw/zinc/62/49/72/573624972.db2.gz SNXHKEMDVFLQOX-NSHDSACASA-N 1 1 183.295 1.633 10 0 ADAEMO C[N@H+]1CCN[C@@H]2c3ccccc3C[C@@H]21 107461970 573625073 /nfs/dbraw/zinc/62/50/73/573625073.db2.gz PYTAZDORQTXQBH-NWDGAFQWSA-N 1 1 188.274 1.187 10 0 ADAEMO CN1CC[NH2+][C@@H]2c3ccccc3C[C@@H]21 107461970 573625079 /nfs/dbraw/zinc/62/50/79/573625079.db2.gz PYTAZDORQTXQBH-NWDGAFQWSA-N 1 1 188.274 1.187 10 0 ADAEMO C[C@H]1CCC[C@@H]2CC(=O)C[N@@H+]12 238453228 573626442 /nfs/dbraw/zinc/62/64/42/573626442.db2.gz LBVHEFWXMHNYHX-JGVFFNPUSA-N 1 1 153.225 1.202 10 0 ADAEMO Cc1c(C[NH3+])ccc2nc[nH]c12 238453816 573626996 /nfs/dbraw/zinc/62/69/96/573626996.db2.gz XCFUMVOFEGFABH-UHFFFAOYSA-N 1 1 161.208 1.330 10 0 ADAEMO Cc1cnc([C@@H]2CC[C@@H](CO)C[NH2+]2)o1 107463858 573626971 /nfs/dbraw/zinc/62/69/71/573626971.db2.gz NMNRHUWARFAYAY-BDAKNGLRSA-N 1 1 196.250 1.016 10 0 ADAEMO CCC[N@@H+](CCCON)C(C)C 394437518 573627040 /nfs/dbraw/zinc/62/70/40/573627040.db2.gz KXXMIEILBBYOOW-UHFFFAOYSA-N 1 1 174.288 1.387 10 0 ADAEMO c1c[nH]c(CNCC[C@@H]2CCC[NH2+]2)c1 259132395 573625959 /nfs/dbraw/zinc/62/59/59/573625959.db2.gz WPXAKSTYOKWHNX-JTQLQIEISA-N 1 1 193.294 1.246 10 0 ADAEMO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccon1 308649951 573626110 /nfs/dbraw/zinc/62/61/10/573626110.db2.gz JSEADRVGZZNHLP-RKDXNWHRSA-N 1 1 196.250 1.504 10 0 ADAEMO CC(=O)[C@@H]1CCC[N@@H+](C)[C@@H]1C 238453224 573626149 /nfs/dbraw/zinc/62/61/49/573626149.db2.gz IVRSCQFPIOPZHA-VXNVDRBHSA-N 1 1 155.241 1.306 10 0 ADAEMO CC(C)([NH3+])c1cc(O)ccc1C=O 258072618 573626189 /nfs/dbraw/zinc/62/61/89/573626189.db2.gz USWUKLAIPWDCAB-UHFFFAOYSA-N 1 1 179.219 1.399 10 0 ADAEMO CC[C@@H](C)[C@H](N)C[NH2+][C@H]1C[C@H]1CC 393543426 573626264 /nfs/dbraw/zinc/62/62/64/573626264.db2.gz AGGWAXJHRPFRAS-DBIOUOCHSA-N 1 1 184.327 1.748 10 0 ADAEMO Cc1cnc([C@@H]2C[C@@H](CO)CC[NH2+]2)o1 107463883 573626357 /nfs/dbraw/zinc/62/63/57/573626357.db2.gz GFMWDLMNKVUPCR-IUCAKERBSA-N 1 1 196.250 1.016 10 0 ADAEMO CC(C)(N)C[NH2+]CCC1CCCC1 258825618 573626514 /nfs/dbraw/zinc/62/65/14/573626514.db2.gz LTYJGICWPPCPFF-UHFFFAOYSA-N 1 1 184.327 1.894 10 0 ADAEMO C[C@]([NH3+])(CN)c1ccc(F)c(F)c1 259133352 573626570 /nfs/dbraw/zinc/62/65/70/573626570.db2.gz SQPWHMPGANPZTE-VIFPVBQESA-N 1 1 186.205 1.097 10 0 ADAEMO C[NH2+]CC(F)(F)[C@H]1CCCCO1 257834150 573626632 /nfs/dbraw/zinc/62/66/32/573626632.db2.gz KOIYCFZBOCGPMP-SSDOTTSWSA-N 1 1 179.210 1.410 10 0 ADAEMO C[C@@H]1C[NH2+][C@](C)(c2ccccn2)O1 258824928 573626662 /nfs/dbraw/zinc/62/66/62/573626662.db2.gz YWEWHULAJOGBFP-SCZZXKLOSA-N 1 1 178.235 1.263 10 0 ADAEMO Cc1cc(C[C@@H](C)[NH2+]CC2CC2)n[nH]1 308649785 573626775 /nfs/dbraw/zinc/62/67/75/573626775.db2.gz JOXMQBLNCOPZIY-MRVPVSSYSA-N 1 1 193.294 1.649 10 0 ADAEMO c1c[nH]c(CNCC[C@H]2CCC[NH2+]2)c1 259132398 573626837 /nfs/dbraw/zinc/62/68/37/573626837.db2.gz WPXAKSTYOKWHNX-SNVBAGLBSA-N 1 1 193.294 1.246 10 0 ADAEMO C[C@H]1CCC[C@@H]2CCNC[N@@H+]12 238453373 573626874 /nfs/dbraw/zinc/62/68/74/573626874.db2.gz TWRREPHLPIKLKU-DTWKUNHWSA-N 1 1 154.257 1.180 10 0 ADAEMO C[C@H]1CCC[C@@H]2CC[NH2+]CN12 238453373 573626879 /nfs/dbraw/zinc/62/68/79/573626879.db2.gz TWRREPHLPIKLKU-DTWKUNHWSA-N 1 1 154.257 1.180 10 0 ADAEMO Cc1cnc([C@@H]2C[C@H](CO)CC[NH2+]2)o1 107463879 573627789 /nfs/dbraw/zinc/62/77/89/573627789.db2.gz GFMWDLMNKVUPCR-BDAKNGLRSA-N 1 1 196.250 1.016 10 0 ADAEMO CC1(C)CC[C@@H]([NH3+])CN1C1CC1 259532670 573627806 /nfs/dbraw/zinc/62/78/06/573627806.db2.gz WAOGUEYDEDNADE-MRVPVSSYSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[C@@H](N)C[N@@H+]1C1CC1 259532670 573627809 /nfs/dbraw/zinc/62/78/09/573627809.db2.gz WAOGUEYDEDNADE-MRVPVSSYSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[C@@H](N)C[N@H+]1C1CC1 259532670 573627817 /nfs/dbraw/zinc/62/78/17/573627817.db2.gz WAOGUEYDEDNADE-MRVPVSSYSA-N 1 1 168.284 1.351 10 0 ADAEMO CCC[NH2+]C[C@@](C)(N)CC 86809284 573629714 /nfs/dbraw/zinc/62/97/14/573629714.db2.gz ZXAQLKSYQOXKSY-QMMMGPOBSA-N 1 1 144.262 1.113 10 0 ADAEMO Cc1cnc([C@H]2CC[C@H](CO)C[NH2+]2)o1 107463855 573630530 /nfs/dbraw/zinc/63/05/30/573630530.db2.gz NMNRHUWARFAYAY-DTWKUNHWSA-N 1 1 196.250 1.016 10 0 ADAEMO CC[C@@](C)(N)C[N@@H+]1CCC[C@@H]1C 86809240 573630645 /nfs/dbraw/zinc/63/06/45/573630645.db2.gz LEOKGZCAADFHFP-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@@](C)(N)C[N@H+]1CCC[C@@H]1C 86809240 573630647 /nfs/dbraw/zinc/63/06/47/573630647.db2.gz LEOKGZCAADFHFP-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO C[NH2+]Cc1nc([C@H]2CC[C@@H](C)C2)no1 83781339 573630648 /nfs/dbraw/zinc/63/06/48/573630648.db2.gz AHRLMLLYIDANDV-SFYZADRCSA-N 1 1 195.266 1.693 10 0 ADAEMO CC[C@](C)(N)C[NH2+]CCC1CC1 86810675 573630675 /nfs/dbraw/zinc/63/06/75/573630675.db2.gz FJVKQBDONOSHQK-JTQLQIEISA-N 1 1 170.300 1.504 10 0 ADAEMO C[C@@H]([NH2+]C[C@H]1CCN(C)C1)C1CCC1 308659479 573630676 /nfs/dbraw/zinc/63/06/76/573630676.db2.gz PLQVOCQGWWLHFR-GHMZBOCLSA-N 1 1 196.338 1.716 10 0 ADAEMO Cc1cc(C[N@@H+](C)CC2CC2)[nH]n1 308409488 573630795 /nfs/dbraw/zinc/63/07/95/573630795.db2.gz LAZBGDMTZJEANT-UHFFFAOYSA-N 1 1 179.267 1.560 10 0 ADAEMO Cc1cc(C[C@H](C)[NH2+]CC2CC2)n[nH]1 308649791 573630871 /nfs/dbraw/zinc/63/08/71/573630871.db2.gz JOXMQBLNCOPZIY-QMMMGPOBSA-N 1 1 193.294 1.649 10 0 ADAEMO Cn1cc[nH+]c1CCC1(CO)CC1 126682826 573630887 /nfs/dbraw/zinc/63/08/87/573630887.db2.gz QOZJGTUBGZBXPO-UHFFFAOYSA-N 1 1 180.251 1.125 10 0 ADAEMO Cc1cnc([C@H]2C[C@@H](CO)CC[NH2+]2)o1 107463885 573630903 /nfs/dbraw/zinc/63/09/03/573630903.db2.gz GFMWDLMNKVUPCR-DTWKUNHWSA-N 1 1 196.250 1.016 10 0 ADAEMO CC[C@](C)(N)C[NH2+]CC(C)C 86809313 573630948 /nfs/dbraw/zinc/63/09/48/573630948.db2.gz NOZVKINBKDFXJV-VIFPVBQESA-N 1 1 158.289 1.359 10 0 ADAEMO C[N@H+]1C[C@H](CO)CCC1(C)C 259532880 573630959 /nfs/dbraw/zinc/63/09/59/573630959.db2.gz WCUDHRDNYKALLI-MRVPVSSYSA-N 1 1 157.257 1.099 10 0 ADAEMO CC[C@](C)(N)C[NH2+]C(C)(C)C 86809288 573631340 /nfs/dbraw/zinc/63/13/40/573631340.db2.gz RTTPXVFZNHJZBN-VIFPVBQESA-N 1 1 158.289 1.502 10 0 ADAEMO CC1(C)CC[C@H]([NH3+])CN1C1CC1 259532672 573631154 /nfs/dbraw/zinc/63/11/54/573631154.db2.gz WAOGUEYDEDNADE-QMMMGPOBSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[C@H](N)C[N@@H+]1C1CC1 259532672 573631160 /nfs/dbraw/zinc/63/11/60/573631160.db2.gz WAOGUEYDEDNADE-QMMMGPOBSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[C@H](N)C[N@H+]1C1CC1 259532672 573631162 /nfs/dbraw/zinc/63/11/62/573631162.db2.gz WAOGUEYDEDNADE-QMMMGPOBSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H](CN)[N@H+](C)C[C@H](C)CC(F)F 688732572 573631185 /nfs/dbraw/zinc/63/11/85/573631185.db2.gz ZFFPVOASROUSDJ-SFYZADRCSA-N 1 1 194.269 1.557 10 0 ADAEMO C[C@@H](C[NH3+])N(C)C[C@H](C)CC(F)F 688732572 573631189 /nfs/dbraw/zinc/63/11/89/573631189.db2.gz ZFFPVOASROUSDJ-SFYZADRCSA-N 1 1 194.269 1.557 10 0 ADAEMO CC(=O)O[C@@H](C)n1cc[nH+]c1C 238459044 573631200 /nfs/dbraw/zinc/63/12/00/573631200.db2.gz YOACQPUCUWEDLY-ZETCQYMHSA-N 1 1 168.196 1.273 10 0 ADAEMO C[C@@H]1CC[C@H](c2noc([C@@H](C)[NH3+])n2)C1 83781348 573631267 /nfs/dbraw/zinc/63/12/67/573631267.db2.gz FMYMSWULQWALOT-PRJMDXOYSA-N 1 1 195.266 1.993 10 0 ADAEMO Cc1cscc1C(=O)C[NH3+] 86825997 573631282 /nfs/dbraw/zinc/63/12/82/573631282.db2.gz XTOFAUAJEVTZTJ-UHFFFAOYSA-N 1 1 155.222 1.198 10 0 ADAEMO C[NH2+]Cc1nc([C@@H]2CC[C@H](C)C2)no1 83781346 573631287 /nfs/dbraw/zinc/63/12/87/573631287.db2.gz AHRLMLLYIDANDV-JGVFFNPUSA-N 1 1 195.266 1.693 10 0 ADAEMO CCC([NH3+])(CC)CN1CCCCC1 86814296 573633066 /nfs/dbraw/zinc/63/30/66/573633066.db2.gz LKDHBHLUQPZBJE-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CC[NH2+][C@@H](C)c1nnc(C(F)F)o1 50618947 573633093 /nfs/dbraw/zinc/63/30/93/573633093.db2.gz YUUCPPGPMNEHDK-BYPYZUCNSA-N 1 1 191.181 1.678 10 0 ADAEMO CCc1oc(C[NH3+])nc1[C@@H]1CCCO1 258074872 573633099 /nfs/dbraw/zinc/63/30/99/573633099.db2.gz LTCJQHSWZINEJA-QMMMGPOBSA-N 1 1 196.250 1.547 10 0 ADAEMO CCc1c[nH]c([C@@H]2CSCC[NH2+]2)n1 257835050 573633147 /nfs/dbraw/zinc/63/31/47/573633147.db2.gz KNEYIJGBZPKWJR-QMMMGPOBSA-N 1 1 197.307 1.350 10 0 ADAEMO CC[NH2+][C@H](C)c1nnc(COCC)o1 50618930 573633212 /nfs/dbraw/zinc/63/32/12/573633212.db2.gz QXDLXWZZPWKEIJ-SSDOTTSWSA-N 1 1 199.254 1.277 10 0 ADAEMO CCC[NH2+]C[C@](C)(N)CC 86809282 573633278 /nfs/dbraw/zinc/63/32/78/573633278.db2.gz ZXAQLKSYQOXKSY-MRVPVSSYSA-N 1 1 144.262 1.113 10 0 ADAEMO CC[C@@](C)([NH3+])CN(C)C(C)C 86808843 573633290 /nfs/dbraw/zinc/63/32/90/573633290.db2.gz UFFQOPJZCAXJNU-SECBINFHSA-N 1 1 158.289 1.454 10 0 ADAEMO CC(C)N1CCC=C(C[NH2+]C2CC2)C1 258073000 573633296 /nfs/dbraw/zinc/63/32/96/573633296.db2.gz MKFBJRRXWRZIDU-UHFFFAOYSA-N 1 1 194.322 1.779 10 0 ADAEMO CC(C)[N@@H+]1CCC=C(CNC2CC2)C1 258073000 573633305 /nfs/dbraw/zinc/63/33/05/573633305.db2.gz MKFBJRRXWRZIDU-UHFFFAOYSA-N 1 1 194.322 1.779 10 0 ADAEMO C[N@@H+](C1CCCC1)C(C)(C)C(N)=O 307097753 573633309 /nfs/dbraw/zinc/63/33/09/573633309.db2.gz QDHIQTBBLNENCX-UHFFFAOYSA-N 1 1 184.283 1.125 10 0 ADAEMO CC(C)[N@H+]1CCC=C(CNC2CC2)C1 258073000 573633312 /nfs/dbraw/zinc/63/33/12/573633312.db2.gz MKFBJRRXWRZIDU-UHFFFAOYSA-N 1 1 194.322 1.779 10 0 ADAEMO CC[C@@](C)(N)C[N@@H+]1CC[C@H](C)C1 86809388 573634196 /nfs/dbraw/zinc/63/41/96/573634196.db2.gz SHRBYKFFMHEAIL-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCc1nnc([C@@H](C)[NH2+]CC)o1 50618881 573633333 /nfs/dbraw/zinc/63/33/33/573633333.db2.gz GDMIOMHKSJPHNQ-SSDOTTSWSA-N 1 1 183.255 1.693 10 0 ADAEMO OC[C@@]1(F)CCC[N@@H+](CCCF)C1 308409673 573633335 /nfs/dbraw/zinc/63/33/35/573633335.db2.gz NSYKVEXDMGKYKN-SECBINFHSA-N 1 1 193.237 1.142 10 0 ADAEMO CC[C@](C)([NH3+])CN1CCCCC1 86808880 573633372 /nfs/dbraw/zinc/63/33/72/573633372.db2.gz NADHDHYLRGRHRN-JTQLQIEISA-N 1 1 170.300 1.600 10 0 ADAEMO CC[C@@](C)(N)C[N@H+]1CC[C@H](C)C1 86809388 573634200 /nfs/dbraw/zinc/63/42/00/573634200.db2.gz SHRBYKFFMHEAIL-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO C[N@H+]1CCC[C@@H](C/C=C\CCO)C1 258073567 573633394 /nfs/dbraw/zinc/63/33/94/573633394.db2.gz FLCUBTLLHCMXEC-OTDNITJGSA-N 1 1 183.295 1.657 10 0 ADAEMO CC[C@H](C)c1nnc([C@H](C)[NH2+]C)o1 50618444 573633515 /nfs/dbraw/zinc/63/35/15/573633515.db2.gz DYIAHLFMDVHKMJ-BQBZGAKWSA-N 1 1 183.255 1.864 10 0 ADAEMO CC[C@@](C)(N)C[NH2+]C(C)(C)C 86809289 573633533 /nfs/dbraw/zinc/63/35/33/573633533.db2.gz RTTPXVFZNHJZBN-SECBINFHSA-N 1 1 158.289 1.502 10 0 ADAEMO CC[NH2+]CC(N)(CC)CC 86814461 573633678 /nfs/dbraw/zinc/63/36/78/573633678.db2.gz NSSMVDSZMJMHBB-UHFFFAOYSA-N 1 1 144.262 1.113 10 0 ADAEMO CCCCN(C)C[C@](C)([NH3+])CC 86808806 573633706 /nfs/dbraw/zinc/63/37/06/573633706.db2.gz JEDRKOGNIDEINJ-SNVBAGLBSA-N 1 1 172.316 1.846 10 0 ADAEMO CC[NH2+][C@H](C)c1nnc([C@@H]2C[C@@H]2C)o1 50618840 573633708 /nfs/dbraw/zinc/63/37/08/573633708.db2.gz RVWMQTSDLADIFO-XLPZGREQSA-N 1 1 195.266 1.864 10 0 ADAEMO CC[C@](C)([NH3+])CN1CCCCCC1 86808772 573633776 /nfs/dbraw/zinc/63/37/76/573633776.db2.gz GIHJYSIOGUQDEQ-NSHDSACASA-N 1 1 184.327 1.990 10 0 ADAEMO C[N@H+]1CCCC[C@@]1(C)c1cc(N)on1 258074862 573633805 /nfs/dbraw/zinc/63/38/05/573633805.db2.gz LSWYGNBWYVOQLI-JTQLQIEISA-N 1 1 195.266 1.588 10 0 ADAEMO CC[NH2+][C@H](C)c1nnc(C(C)C)o1 50618902 573633853 /nfs/dbraw/zinc/63/38/53/573633853.db2.gz BWQAGNARWACBNP-SSDOTTSWSA-N 1 1 183.255 1.864 10 0 ADAEMO CC[C@](C)(N)C[N@@H+]1CCC[C@@H]1C 86809237 573633867 /nfs/dbraw/zinc/63/38/67/573633867.db2.gz LEOKGZCAADFHFP-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@](C)(N)C[N@H+]1CCC[C@@H]1C 86809237 573633875 /nfs/dbraw/zinc/63/38/75/573633875.db2.gz LEOKGZCAADFHFP-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@](C)(N)C[N@H+]1CCCC[C@@H]1C 86808739 573633889 /nfs/dbraw/zinc/63/38/89/573633889.db2.gz CXPSRUHPOPTTJW-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CC[C@](C)([NH3+])CN1CCCC[C@@H]1C 86808739 573633894 /nfs/dbraw/zinc/63/38/94/573633894.db2.gz CXPSRUHPOPTTJW-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CCC[C@H]1C(N)=O 393544022 573633902 /nfs/dbraw/zinc/63/39/02/573633902.db2.gz AOCXOAATGLGVPK-BDAKNGLRSA-N 1 1 184.283 1.125 10 0 ADAEMO C[C@H]1CC[C@@H](c2ncc(C[NH3+])[nH]2)C1 83790673 573633939 /nfs/dbraw/zinc/63/39/39/573633939.db2.gz JACVJHBRSAKPJH-JGVFFNPUSA-N 1 1 179.267 1.772 10 0 ADAEMO N[C@H]1C[NH2+]CC[C@@H]1Cc1ccccc1 223674752 573633977 /nfs/dbraw/zinc/63/39/77/573633977.db2.gz AQIMFLQVFRYESV-NEPJUHHUSA-N 1 1 190.290 1.166 10 0 ADAEMO CCCc1nnc([C@H](C)[NH2+]C)o1 50618468 573634302 /nfs/dbraw/zinc/63/43/02/573634302.db2.gz IHZVTHJVVRAOTE-LURJTMIESA-N 1 1 169.228 1.303 10 0 ADAEMO Cc1cscc1-c1nnc(C[NH3+])o1 86816944 573634312 /nfs/dbraw/zinc/63/43/12/573634312.db2.gz YIOHYRDYKFJNSV-UHFFFAOYSA-N 1 1 195.247 1.565 10 0 ADAEMO C[N@H+]1CCC[C@H](Cc2oncc2N)C1 259145754 573635272 /nfs/dbraw/zinc/63/52/72/573635272.db2.gz HLQUQAKCUXELSD-MRVPVSSYSA-N 1 1 195.266 1.141 10 0 ADAEMO CC/C=C/CC[NH+]1CCNCC1 78522389 573635454 /nfs/dbraw/zinc/63/54/54/573635454.db2.gz WUIFXNHFUFQLHJ-ONEGZZNKSA-N 1 1 168.284 1.248 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(CCC(C)C)o1 50618517 573635459 /nfs/dbraw/zinc/63/54/59/573635459.db2.gz AVNUXXKIWOARFK-MRVPVSSYSA-N 1 1 197.282 1.939 10 0 ADAEMO C[C@H]1CC[C@H](c2n[nH]c(CC[NH3+])n2)C1 83790572 573635485 /nfs/dbraw/zinc/63/54/85/573635485.db2.gz QVVVNJYNVGUNEX-YUMQZZPRSA-N 1 1 194.282 1.210 10 0 ADAEMO C[C@@H]1CC[C@@H](c2n[nH]c(CC[NH3+])n2)C1 83790574 573635502 /nfs/dbraw/zinc/63/55/02/573635502.db2.gz QVVVNJYNVGUNEX-HTQZYQBOSA-N 1 1 194.282 1.210 10 0 ADAEMO C[C@H]1CC[C@]2(C)NCC[N@H+]2C1 238461216 573635680 /nfs/dbraw/zinc/63/56/80/573635680.db2.gz HCUOOWTWUFAYOR-DTWKUNHWSA-N 1 1 154.257 1.038 10 0 ADAEMO C[C@H]1CC[C@]2(C)NCC[N@@H+]2C1 238461216 573635676 /nfs/dbraw/zinc/63/56/76/573635676.db2.gz HCUOOWTWUFAYOR-DTWKUNHWSA-N 1 1 154.257 1.038 10 0 ADAEMO C[N@H+]1CCCC[C@H]1C/C=C\CO 258073635 573635746 /nfs/dbraw/zinc/63/57/46/573635746.db2.gz FMLSUWXIOPVBNW-ATPLWMGHSA-N 1 1 169.268 1.409 10 0 ADAEMO NC1(C[NH2+]CCc2cccs2)CC1 259148424 573635808 /nfs/dbraw/zinc/63/58/08/573635808.db2.gz SCAUYNVEYAWFHF-UHFFFAOYSA-N 1 1 196.319 1.372 10 0 ADAEMO N[C@@H]1CCC[C@@H]1[NH2+]CCc1cc[nH]c1 258826426 573635818 /nfs/dbraw/zinc/63/58/18/573635818.db2.gz DCBBRYRQUJBRFS-MNOVXSKESA-N 1 1 193.294 1.027 10 0 ADAEMO C[C@]1(C2CCCC2)C[NH2+]CCN1 259146338 573637193 /nfs/dbraw/zinc/63/71/93/573637193.db2.gz UHYWYZRZINTZLN-SNVBAGLBSA-N 1 1 168.284 1.128 10 0 ADAEMO Nc1ccc(Cc2nccs2)c[nH+]1 86828032 573637139 /nfs/dbraw/zinc/63/71/39/573637139.db2.gz KRMNREUFQFYHNE-UHFFFAOYSA-N 1 1 191.259 1.711 10 0 ADAEMO CC[C@H](N)[C@H]([NH+](C)C)C(C)(C)C 43291681 573639708 /nfs/dbraw/zinc/63/97/08/573639708.db2.gz USMBPICSNKMMQT-IUCAKERBSA-N 1 1 172.316 1.700 10 0 ADAEMO CCC[C@H](C)[N@H+]1CCC[C@@H]1C(N)=O 393544023 573636748 /nfs/dbraw/zinc/63/67/48/573636748.db2.gz AOCXOAATGLGVPK-DTWKUNHWSA-N 1 1 184.283 1.125 10 0 ADAEMO CC[NH2+][C@@H](C)c1nnc(C(C)C)o1 50618901 573636752 /nfs/dbraw/zinc/63/67/52/573636752.db2.gz BWQAGNARWACBNP-ZETCQYMHSA-N 1 1 183.255 1.864 10 0 ADAEMO c1ccc2c(c1)OC[C@@H]1OCC[NH2+][C@@H]21 75580158 573636834 /nfs/dbraw/zinc/63/68/34/573636834.db2.gz OBKRGSXABDXYFB-QWRGUYRKSA-N 1 1 191.230 1.109 10 0 ADAEMO OC[C@]1(F)CCC[N@@H+](CCCF)C1 308409675 573636862 /nfs/dbraw/zinc/63/68/62/573636862.db2.gz NSYKVEXDMGKYKN-VIFPVBQESA-N 1 1 193.237 1.142 10 0 ADAEMO CCC[N@@H+](C)Cc1cc(N)no1 259147372 573636866 /nfs/dbraw/zinc/63/68/66/573636866.db2.gz FHEGAPCICCJVFR-UHFFFAOYSA-N 1 1 169.228 1.099 10 0 ADAEMO CNc1ccc2nc([C@@H](C)[NH3+])[nH]c2n1 86830749 573636922 /nfs/dbraw/zinc/63/69/22/573636922.db2.gz LOINKDFICAPECE-RXMQYKEDSA-N 1 1 191.238 1.019 10 0 ADAEMO CC[N@H+]1CC[C@@H](CCO)C1(C)C 259538063 573636926 /nfs/dbraw/zinc/63/69/26/573636926.db2.gz WNKZOOWRMQXIIW-VIFPVBQESA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@H](F)C[C@H]1CC[N@@H+](C)C[C@@H]1CO 259538335 573636957 /nfs/dbraw/zinc/63/69/57/573636957.db2.gz BOBNSVKWWPMUJC-IVZWLZJFSA-N 1 1 189.274 1.295 10 0 ADAEMO CCCc1nnc([C@H](C)[NH2+]CC)o1 50618882 573636985 /nfs/dbraw/zinc/63/69/85/573636985.db2.gz GDMIOMHKSJPHNQ-ZETCQYMHSA-N 1 1 183.255 1.693 10 0 ADAEMO CC[C@@H](N)[C@@H]([NH+](C)C)C(C)(C)C 43291686 573637118 /nfs/dbraw/zinc/63/71/18/573637118.db2.gz USMBPICSNKMMQT-RKDXNWHRSA-N 1 1 172.316 1.700 10 0 ADAEMO CCCc1[nH]c([C@@H]2CC[NH2+]C2)nc1C 258504767 573637085 /nfs/dbraw/zinc/63/70/85/573637085.db2.gz FKLWMMMKNMYQBB-SECBINFHSA-N 1 1 193.294 1.748 10 0 ADAEMO C[C@@H]1C(=O)CCCCC[N@H+]1C 238461705 573640019 /nfs/dbraw/zinc/64/00/19/573640019.db2.gz UIWMKVBPLZHHPU-MRVPVSSYSA-N 1 1 155.241 1.450 10 0 ADAEMO C[C@@H]1C(=O)CCCCC[N@@H+]1C 238461705 573640035 /nfs/dbraw/zinc/64/00/35/573640035.db2.gz UIWMKVBPLZHHPU-MRVPVSSYSA-N 1 1 155.241 1.450 10 0 ADAEMO CC[C@@H](COC)[N@@H+](C)CC[C@H](C)O 393545633 573639349 /nfs/dbraw/zinc/63/93/49/573639349.db2.gz FUOCJLOEZCFURI-UWVGGRQHSA-N 1 1 189.299 1.114 10 0 ADAEMO COC(=O)[C@H]([NH3+])CCc1ccc(C)o1 259146521 573639452 /nfs/dbraw/zinc/63/94/52/573639452.db2.gz UKDWOWKLIRUCCZ-SECBINFHSA-N 1 1 197.234 1.021 10 0 ADAEMO CCCCN1CC[C@@H]([NH2+]C)C1(C)C 259536423 573639717 /nfs/dbraw/zinc/63/97/17/573639717.db2.gz WHNMCRNBVUPWQW-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO C[N@@H+]1CC[C@H](C2CCCCC2)[C@H]1C[NH3+] 257845730 573639741 /nfs/dbraw/zinc/63/97/41/573639741.db2.gz NMOOOQPGUKECRZ-VXGBXAGGSA-N 1 1 196.338 1.846 10 0 ADAEMO CN1CC[C@H](C2CCCCC2)[C@H]1C[NH3+] 257845730 573639756 /nfs/dbraw/zinc/63/97/56/573639756.db2.gz NMOOOQPGUKECRZ-VXGBXAGGSA-N 1 1 196.338 1.846 10 0 ADAEMO C[NH2+][C@H](C1CCCCC1)C1(N)CC1 259146716 573639769 /nfs/dbraw/zinc/63/97/69/573639769.db2.gz HWVRKVOEBSXFBD-SNVBAGLBSA-N 1 1 182.311 1.646 10 0 ADAEMO C[C@@H]1C(=O)CCCC[N@H+]1C 238461677 573639806 /nfs/dbraw/zinc/63/98/06/573639806.db2.gz RTKNVUUNKKOZOB-SSDOTTSWSA-N 1 1 141.214 1.060 10 0 ADAEMO [NH3+]Cc1n[nH]cc1C1CCC1 257845443 573639808 /nfs/dbraw/zinc/63/98/08/573639808.db2.gz PWLWYZRAULGNLO-UHFFFAOYSA-N 1 1 151.213 1.136 10 0 ADAEMO C[C@@H]1C(=O)CCCC[N@@H+]1C 238461677 573639810 /nfs/dbraw/zinc/63/98/10/573639810.db2.gz RTKNVUUNKKOZOB-SSDOTTSWSA-N 1 1 141.214 1.060 10 0 ADAEMO C[NH2+]Cc1cc(F)c(O)c(F)c1 86831030 573639833 /nfs/dbraw/zinc/63/98/33/573639833.db2.gz RWAKSPAHXLBPLD-UHFFFAOYSA-N 1 1 173.162 1.390 10 0 ADAEMO CC1(C)CCC[C@@H]([NH+]2CCCC2)[C@H]1N 86841776 573642802 /nfs/dbraw/zinc/64/28/02/573642802.db2.gz LFPCNUITVAZFFW-GHMZBOCLSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)C[C@H](N)C[N@H+]1CC1CCCC1 258827510 573640996 /nfs/dbraw/zinc/64/09/96/573640996.db2.gz OYZCLKUPVYWHMP-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1[C@H](CCCO)CCC[N@H+]1C 238461594 573641034 /nfs/dbraw/zinc/64/10/34/573641034.db2.gz QYXXRXCUCJYSOO-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC(=O)Cc1[nH+]cc2ccc(O)cn12 258504979 573642811 /nfs/dbraw/zinc/64/28/11/573642811.db2.gz ZZFAFSCVGPERNR-UHFFFAOYSA-N 1 1 190.202 1.171 10 0 ADAEMO C[C@H]1CC[C@]2([NH2+]CCS2)C(=O)C1 238461542 573641206 /nfs/dbraw/zinc/64/12/06/573641206.db2.gz FFODJYKJDWOULO-IONNQARKSA-N 1 1 185.292 1.408 10 0 ADAEMO C[C@H]1CCC[C@H]2CC(=O)C[N@@H+]12 238462885 573642826 /nfs/dbraw/zinc/64/28/26/573642826.db2.gz LBVHEFWXMHNYHX-YUMQZZPRSA-N 1 1 153.225 1.202 10 0 ADAEMO C[N@@H+]1CC[C@H](C2CCCCC2)[C@@H]1C[NH3+] 257845725 573641399 /nfs/dbraw/zinc/64/13/99/573641399.db2.gz NMOOOQPGUKECRZ-NEPJUHHUSA-N 1 1 196.338 1.846 10 0 ADAEMO CN1CC[C@H](C2CCCCC2)[C@@H]1C[NH3+] 257845725 573641405 /nfs/dbraw/zinc/64/14/05/573641405.db2.gz NMOOOQPGUKECRZ-NEPJUHHUSA-N 1 1 196.338 1.846 10 0 ADAEMO Cc1cc(C=O)n2c1[C@@H](C)C[N@@H+](C)C2 238461793 573641455 /nfs/dbraw/zinc/64/14/55/573641455.db2.gz SKGREVGZJCRMEM-VIFPVBQESA-N 1 1 192.262 1.615 10 0 ADAEMO CC[C@H](COC)[N@@H+](C)CC[C@@H](C)O 393545632 573641500 /nfs/dbraw/zinc/64/15/00/573641500.db2.gz FUOCJLOEZCFURI-NXEZZACHSA-N 1 1 189.299 1.114 10 0 ADAEMO Cc1cccc(C(C)(C)C[NH2+]CN)c1 258827348 573641549 /nfs/dbraw/zinc/64/15/49/573641549.db2.gz GUNXHBFSHYZXMX-UHFFFAOYSA-N 1 1 192.306 1.778 10 0 ADAEMO Cc1ccc(CC[NH2+]CC2(N)CC2)o1 259148103 573641661 /nfs/dbraw/zinc/64/16/61/573641661.db2.gz RWSSVZKRJVFWDH-UHFFFAOYSA-N 1 1 194.278 1.211 10 0 ADAEMO Cc1ccc(CCNCC2([NH3+])CC2)o1 259148103 573641666 /nfs/dbraw/zinc/64/16/66/573641666.db2.gz RWSSVZKRJVFWDH-UHFFFAOYSA-N 1 1 194.278 1.211 10 0 ADAEMO CCOc1cc[nH+]cc1C[C@@H](C)CO 308652502 573641871 /nfs/dbraw/zinc/64/18/71/573641871.db2.gz LEMCOWHHMJVFAP-SECBINFHSA-N 1 1 195.262 1.651 10 0 ADAEMO CN(C)[C@@H]([NH3+])c1ccc2[nH]cnc2c1 259541782 573641886 /nfs/dbraw/zinc/64/18/86/573641886.db2.gz NVGYQDSKSQYHCT-SNVBAGLBSA-N 1 1 190.250 1.082 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCC(C)(C)[C@H]1[NH3+] 86842204 573642013 /nfs/dbraw/zinc/64/20/13/573642013.db2.gz MXLVKDYEYHTQGC-QWRGUYRKSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@H+](C1CC1)[C@H]1CCCC(C)(C)[C@H]1N 86842204 573642016 /nfs/dbraw/zinc/64/20/16/573642016.db2.gz MXLVKDYEYHTQGC-QWRGUYRKSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCC(C)(C)[C@H]1N 86842204 573642019 /nfs/dbraw/zinc/64/20/19/573642019.db2.gz MXLVKDYEYHTQGC-QWRGUYRKSA-N 1 1 196.338 1.987 10 0 ADAEMO CN(C1CC1)[C@H]1CCCC(C)(C)[C@H]1[NH3+] 86842204 573642023 /nfs/dbraw/zinc/64/20/23/573642023.db2.gz MXLVKDYEYHTQGC-QWRGUYRKSA-N 1 1 196.338 1.987 10 0 ADAEMO C[C@H]1C[C@@H]1c1noc(C(C)(C)[NH3+])n1 83805544 573642140 /nfs/dbraw/zinc/64/21/40/573642140.db2.gz XTKAKMSILDRNMA-WDSKDSINSA-N 1 1 181.239 1.387 10 0 ADAEMO C[N@@H+]1CCNC[C@@H]1CC1CCCCC1 259147960 573642186 /nfs/dbraw/zinc/64/21/86/573642186.db2.gz NRHRLSFNONZFPA-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO C[N@H+]1CCNC[C@@H]1CC1CCCCC1 259147960 573642188 /nfs/dbraw/zinc/64/21/88/573642188.db2.gz NRHRLSFNONZFPA-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO C/C=C\C[N@H+]1CC[C@@H]2C[C@@H]21 393545753 573642331 /nfs/dbraw/zinc/64/23/31/573642331.db2.gz RSIFPGQEAPDQAM-HVSMVGKISA-N 1 1 137.226 1.657 10 0 ADAEMO C[C@@H]1C[C@H]1c1noc(C(C)(C)[NH3+])n1 83805546 573642334 /nfs/dbraw/zinc/64/23/34/573642334.db2.gz XTKAKMSILDRNMA-PHDIDXHHSA-N 1 1 181.239 1.387 10 0 ADAEMO C[NH2+]C(C)(C)c1nc([C@H]2C[C@H]2C)no1 83805570 573642380 /nfs/dbraw/zinc/64/23/80/573642380.db2.gz PFQGPIHLPHEIHN-RQJHMYQMSA-N 1 1 195.266 1.648 10 0 ADAEMO C[NH2+][C@H](C)c1nc([C@H]2C[C@@H]2C)no1 83805683 573642466 /nfs/dbraw/zinc/64/24/66/573642466.db2.gz UYUBEOPVSAMSDG-XVMARJQXSA-N 1 1 181.239 1.473 10 0 ADAEMO C[N@@H+]1CCNC[C@H]1CC1CCCCC1 259147956 573642482 /nfs/dbraw/zinc/64/24/82/573642482.db2.gz NRHRLSFNONZFPA-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO C[N@H+]1CCNC[C@H]1CC1CCCCC1 259147956 573642485 /nfs/dbraw/zinc/64/24/85/573642485.db2.gz NRHRLSFNONZFPA-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO C[NH2+]CC(F)(F)C[C@@H]1CCCOC1 257838567 573642551 /nfs/dbraw/zinc/64/25/51/573642551.db2.gz LJFGCZUUFOMYHW-QMMMGPOBSA-N 1 1 193.237 1.658 10 0 ADAEMO C[NH2+]CNCC(C)(C)C(C)(C)C 258827259 573642565 /nfs/dbraw/zinc/64/25/65/573642565.db2.gz GSWIOJWAULUHCR-UHFFFAOYSA-N 1 1 172.316 1.825 10 0 ADAEMO C[NH+](C)[C@H]1CCCC(C)(C)[C@@H]1N 86841961 573642610 /nfs/dbraw/zinc/64/26/10/573642610.db2.gz SWBHDUQYXKLXRF-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C)[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86841961 573642614 /nfs/dbraw/zinc/64/26/14/573642614.db2.gz SWBHDUQYXKLXRF-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H]1[C@H]([NH3+])C1(Cl)Cl 238463951 573642626 /nfs/dbraw/zinc/64/26/26/573642626.db2.gz RCRHNDXIACKPCI-HRFVKAFMSA-N 1 1 140.013 1.137 10 0 ADAEMO [NH3+]C1(CCc2n[nH]c3c2CCC3)CC1 257839307 573642653 /nfs/dbraw/zinc/64/26/53/573642653.db2.gz LOSZQFBWUNYSQL-UHFFFAOYSA-N 1 1 191.278 1.322 10 0 ADAEMO NC(=O)CCNc1cc[nH+]cc1Cl 86833054 573642698 /nfs/dbraw/zinc/64/26/98/573642698.db2.gz UYHAYQKKKIBFSW-UHFFFAOYSA-N 1 1 199.641 1.022 10 0 ADAEMO CC1(C)CCCC[C@]1([NH3+])CN 86846512 573642732 /nfs/dbraw/zinc/64/27/32/573642732.db2.gz HXZPULUBKGBBLT-VIFPVBQESA-N 1 1 156.273 1.243 10 0 ADAEMO CC(=O)[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C 238463375 573642740 /nfs/dbraw/zinc/64/27/40/573642740.db2.gz BPFBZPJYSZOTPZ-QXFUBDJGSA-N 1 1 169.268 1.552 10 0 ADAEMO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccon1 308653034 573644398 /nfs/dbraw/zinc/64/43/98/573644398.db2.gz LOPOGTGJTPBVFJ-UWVGGRQHSA-N 1 1 196.250 1.332 10 0 ADAEMO C[NH2+][C@]1(C(=O)OC)CCCCC1(C)C 86847526 573643700 /nfs/dbraw/zinc/64/37/00/573643700.db2.gz MYTBWBFRXBBKHA-NSHDSACASA-N 1 1 199.294 1.718 10 0 ADAEMO C[C@H]1C[C@H]1c1noc(C(C)(C)[NH3+])n1 83805548 573643758 /nfs/dbraw/zinc/64/37/58/573643758.db2.gz XTKAKMSILDRNMA-NTSWFWBYSA-N 1 1 181.239 1.387 10 0 ADAEMO COC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C(C)C)C1 257839216 573643785 /nfs/dbraw/zinc/64/37/85/573643785.db2.gz JKKJIVBMQAKMPU-NXEZZACHSA-N 1 1 199.294 1.526 10 0 ADAEMO C[C@H](Nc1cc[nH+]cc1Cl)C(N)=O 86833051 573643786 /nfs/dbraw/zinc/64/37/86/573643786.db2.gz CKXVDVOVKREFMV-YFKPBYRVSA-N 1 1 199.641 1.021 10 0 ADAEMO CC(=O)[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C 238462715 573643832 /nfs/dbraw/zinc/64/38/32/573643832.db2.gz BPFBZPJYSZOTPZ-OYNCUSHFSA-N 1 1 169.268 1.552 10 0 ADAEMO CN(C)[C@@]1(C[NH3+])CCCCC1(C)C 86846368 573643852 /nfs/dbraw/zinc/64/38/52/573643852.db2.gz GRVMBXYRRSJIRC-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H](CCCC[NH3+])NCc1ccon1 308655167 573643864 /nfs/dbraw/zinc/64/38/64/573643864.db2.gz NBIRYNJTBJTZJU-SECBINFHSA-N 1 1 197.282 1.282 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCCC(C)(C)[C@H]1[NH3+] 86842206 573643877 /nfs/dbraw/zinc/64/38/77/573643877.db2.gz MXLVKDYEYHTQGC-MNOVXSKESA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@H+](C1CC1)[C@@H]1CCCC(C)(C)[C@H]1N 86842206 573643880 /nfs/dbraw/zinc/64/38/80/573643880.db2.gz MXLVKDYEYHTQGC-MNOVXSKESA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCCC(C)(C)[C@H]1N 86842206 573643883 /nfs/dbraw/zinc/64/38/83/573643883.db2.gz MXLVKDYEYHTQGC-MNOVXSKESA-N 1 1 196.338 1.987 10 0 ADAEMO CN(C1CC1)[C@@H]1CCCC(C)(C)[C@H]1[NH3+] 86842206 573643887 /nfs/dbraw/zinc/64/38/87/573643887.db2.gz MXLVKDYEYHTQGC-MNOVXSKESA-N 1 1 196.338 1.987 10 0 ADAEMO C[C@@H]1C[C@H]1c1noc([C@H]([NH3+])C2CC2)n1 83805696 573643890 /nfs/dbraw/zinc/64/38/90/573643890.db2.gz PKFFNFVXGQZTQB-LPBLVHEISA-N 1 1 193.250 1.603 10 0 ADAEMO CC1(O)CN(c2cc[nH+]cc2Cl)C1 86840296 573643900 /nfs/dbraw/zinc/64/39/00/573643900.db2.gz IKPWLPHIVMHFKL-UHFFFAOYSA-N 1 1 198.653 1.306 10 0 ADAEMO COC(=O)[C@H]1CC[N@@H+](C)[C@H](C(C)C)C1 257839219 573643923 /nfs/dbraw/zinc/64/39/23/573643923.db2.gz JKKJIVBMQAKMPU-UWVGGRQHSA-N 1 1 199.294 1.526 10 0 ADAEMO CC(C)[C@@H]([NH3+])c1nc([C@@H]2C[C@@H]2C)no1 83805237 573643962 /nfs/dbraw/zinc/64/39/62/573643962.db2.gz SQWMEZBNZJQAFC-XLPZGREQSA-N 1 1 195.266 1.849 10 0 ADAEMO C[C@@H]1[N@H+]([C@@H]2CC[C@H]2O)CCOC1(C)C 687964190 573644026 /nfs/dbraw/zinc/64/40/26/573644026.db2.gz RXKYECKMPRNARV-IVZWLZJFSA-N 1 1 199.294 1.009 10 0 ADAEMO COC[C@H](C)[C@H](C)[NH2+]Cc1c[nH]cn1 308653867 573644143 /nfs/dbraw/zinc/64/41/43/573644143.db2.gz MEXNIVRMHCLHSH-IUCAKERBSA-N 1 1 197.282 1.170 10 0 ADAEMO CC(C)CCC[NH2+]C[C@H](C)N 258831088 573644160 /nfs/dbraw/zinc/64/41/60/573644160.db2.gz VIOZIZUTMZXQKH-VIFPVBQESA-N 1 1 158.289 1.359 10 0 ADAEMO C[NH2+][C@H](C)c1nc([C@@H]2C[C@H]2C)no1 83805685 573644168 /nfs/dbraw/zinc/64/41/68/573644168.db2.gz UYUBEOPVSAMSDG-FSDSQADBSA-N 1 1 181.239 1.473 10 0 ADAEMO CCCc1[nH]c(CC(=O)OC)nc1C 258829292 573644173 /nfs/dbraw/zinc/64/41/73/573644173.db2.gz ZMWGBNWMKIBKBQ-UHFFFAOYSA-N 1 1 196.250 1.386 10 0 ADAEMO C[C@@H]1C[C@@H]1c1noc(C(C)(C)[NH3+])n1 83805541 573644239 /nfs/dbraw/zinc/64/42/39/573644239.db2.gz XTKAKMSILDRNMA-RITPCOANSA-N 1 1 181.239 1.387 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCCC(C)(C)[C@@H]1O 86846282 573644309 /nfs/dbraw/zinc/64/43/09/573644309.db2.gz CSFGOMAMOLBWEB-VHSXEESVSA-N 1 1 185.311 1.878 10 0 ADAEMO CNCC[NH2+]CC(C)(C)c1cc[nH]c1 258835406 573644322 /nfs/dbraw/zinc/64/43/22/573644322.db2.gz VQZAXVBQPFNEKZ-UHFFFAOYSA-N 1 1 195.310 1.101 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCCC(C)(C)[C@@H]1O 86846280 573644289 /nfs/dbraw/zinc/64/42/89/573644289.db2.gz CSFGOMAMOLBWEB-NXEZZACHSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842162 573644504 /nfs/dbraw/zinc/64/45/04/573644504.db2.gz NPJADCXARKQFGR-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@H+](C)[C@H]1CCCC(C)(C)[C@@H]1N 86842162 573644508 /nfs/dbraw/zinc/64/45/08/573644508.db2.gz NPJADCXARKQFGR-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCCC(C)(C)[C@@H]1N 86842162 573644515 /nfs/dbraw/zinc/64/45/15/573644515.db2.gz NPJADCXARKQFGR-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO Cc1cc(CN[C@@H](C)CCC[NH3+])no1 308654252 573644654 /nfs/dbraw/zinc/64/46/54/573644654.db2.gz MLOWKVWWMIHPLS-QMMMGPOBSA-N 1 1 197.282 1.200 10 0 ADAEMO OC1CC(Nc2cc[nH+]cc2Cl)C1 86839517 573644684 /nfs/dbraw/zinc/64/46/84/573644684.db2.gz OMIGNMIPKMGVRZ-UHFFFAOYSA-N 1 1 198.653 1.670 10 0 ADAEMO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccon1 308653035 573644785 /nfs/dbraw/zinc/64/47/85/573644785.db2.gz LOPOGTGJTPBVFJ-VHSXEESVSA-N 1 1 196.250 1.332 10 0 ADAEMO CC[C@@H](C[NH3+])[C@H](N)c1ccncc1 259539072 573644793 /nfs/dbraw/zinc/64/47/93/573644793.db2.gz TZJDJTXWKTZSJD-WPRPVWTQSA-N 1 1 179.267 1.066 10 0 ADAEMO CCS[C@@H](C)C[NH+]1CCNCC1 259149661 573644849 /nfs/dbraw/zinc/64/48/49/573644849.db2.gz FMIQNKLERRQRJU-VIFPVBQESA-N 1 1 188.340 1.033 10 0 ADAEMO C[C@@H]([NH3+])c1[nH]ncc1C1CC1 257838739 573644878 /nfs/dbraw/zinc/64/48/78/573644878.db2.gz NAIQHGSNGZWVAR-RXMQYKEDSA-N 1 1 151.213 1.307 10 0 ADAEMO COC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH]cn1 308653868 573644911 /nfs/dbraw/zinc/64/49/11/573644911.db2.gz MEXNIVRMHCLHSH-RKDXNWHRSA-N 1 1 197.282 1.170 10 0 ADAEMO OCCCc1[nH+]cc2c(F)cccn12 257839764 573644926 /nfs/dbraw/zinc/64/49/26/573644926.db2.gz LRGYYDIFHDELRM-UHFFFAOYSA-N 1 1 194.209 1.398 10 0 ADAEMO CCCc1[nH]c(CC[NH2+]C)nc1C 258831814 573645043 /nfs/dbraw/zinc/64/50/43/573645043.db2.gz ZUMANWIRCKATED-UHFFFAOYSA-N 1 1 181.283 1.433 10 0 ADAEMO CN(C)[C@]1(C[NH3+])CCCCC1(C)C 86846364 573645049 /nfs/dbraw/zinc/64/50/49/573645049.db2.gz GRVMBXYRRSJIRC-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+][C@H](C)c1nc([C@@H]2C[C@@H]2C)no1 83805689 573645077 /nfs/dbraw/zinc/64/50/77/573645077.db2.gz UYUBEOPVSAMSDG-RRKCRQDMSA-N 1 1 181.239 1.473 10 0 ADAEMO C[C@@H]([NH3+])c1nc([C@@H]2CCCN2C)co1 257839572 573645125 /nfs/dbraw/zinc/64/51/25/573645125.db2.gz BIAOKIHZGGDUKD-APPZFPTMSA-N 1 1 195.266 1.461 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842159 573645134 /nfs/dbraw/zinc/64/51/34/573645134.db2.gz NPJADCXARKQFGR-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@H+](C)[C@@H]1CCCC(C)(C)[C@@H]1N 86842159 573645142 /nfs/dbraw/zinc/64/51/42/573645142.db2.gz NPJADCXARKQFGR-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCCC(C)(C)[C@@H]1N 86842159 573645147 /nfs/dbraw/zinc/64/51/47/573645147.db2.gz NPJADCXARKQFGR-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[NH+](C)[C@H]1CCCC(C)(C)[C@H]1N 86841954 573645173 /nfs/dbraw/zinc/64/51/73/573645173.db2.gz SWBHDUQYXKLXRF-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C)[C@H]1CCCC(C)(C)[C@H]1[NH3+] 86841954 573645177 /nfs/dbraw/zinc/64/51/77/573645177.db2.gz SWBHDUQYXKLXRF-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]1C[C@@H]1c1noc([C@H]([NH3+])C2CC2)n1 83805692 573645202 /nfs/dbraw/zinc/64/52/02/573645202.db2.gz PKFFNFVXGQZTQB-MHSYXAOVSA-N 1 1 193.250 1.603 10 0 ADAEMO CCc1ccc(CC[NH2+]CN)cc1 258833991 573645224 /nfs/dbraw/zinc/64/52/24/573645224.db2.gz HHKOLFKUHOKTHB-UHFFFAOYSA-N 1 1 178.279 1.297 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCCC(C)(C)[C@@H]1N 86842210 573646691 /nfs/dbraw/zinc/64/66/91/573646691.db2.gz MXLVKDYEYHTQGC-GHMZBOCLSA-N 1 1 196.338 1.987 10 0 ADAEMO C[NH2+]CC(F)(F)C[C@H]1CCCOC1 257838565 573645317 /nfs/dbraw/zinc/64/53/17/573645317.db2.gz LJFGCZUUFOMYHW-MRVPVSSYSA-N 1 1 193.237 1.658 10 0 ADAEMO COC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH]cn1 308653865 573645492 /nfs/dbraw/zinc/64/54/92/573645492.db2.gz MEXNIVRMHCLHSH-BDAKNGLRSA-N 1 1 197.282 1.170 10 0 ADAEMO C[C@H]1CCC[C@H]2CC[N@@H+]12 238463052 573645525 /nfs/dbraw/zinc/64/55/25/573645525.db2.gz CIDOSNPDIRLAMB-YUMQZZPRSA-N 1 1 125.215 1.633 10 0 ADAEMO CN(C1CC1)[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842210 573646700 /nfs/dbraw/zinc/64/67/00/573646700.db2.gz MXLVKDYEYHTQGC-GHMZBOCLSA-N 1 1 196.338 1.987 10 0 ADAEMO C[C@H]1C[N@@H+](C)[C@@H](CC(C)(C)C)CN1 238463051 573645585 /nfs/dbraw/zinc/64/55/85/573645585.db2.gz XDBWVPJPGIIGPH-UWVGGRQHSA-N 1 1 184.327 1.715 10 0 ADAEMO C[N@@H+](CO)Cc1ccc2c(c1)CCC2 258830385 573645587 /nfs/dbraw/zinc/64/55/87/573645587.db2.gz BHNQFCVZKXGCIX-UHFFFAOYSA-N 1 1 191.274 1.557 10 0 ADAEMO C[C@H]1CN(C)[C@@H](CC(C)(C)C)C[NH2+]1 238463051 573645593 /nfs/dbraw/zinc/64/55/93/573645593.db2.gz XDBWVPJPGIIGPH-UWVGGRQHSA-N 1 1 184.327 1.715 10 0 ADAEMO Cc1ncc(C(F)F)c(N)c1C[NH3+] 238462727 573645666 /nfs/dbraw/zinc/64/56/66/573645666.db2.gz WYSSFIIADHDOMH-UHFFFAOYSA-N 1 1 187.193 1.369 10 0 ADAEMO C[C@@H](Nc1cc[nH+]cc1Cl)C(N)=O 86833052 573645696 /nfs/dbraw/zinc/64/56/96/573645696.db2.gz CKXVDVOVKREFMV-RXMQYKEDSA-N 1 1 199.641 1.021 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842209 573645845 /nfs/dbraw/zinc/64/58/45/573645845.db2.gz MXLVKDYEYHTQGC-WDEREUQCSA-N 1 1 196.338 1.987 10 0 ADAEMO C[NH2+]C(C)(C)c1nc([C@@H]2C[C@H]2C)no1 83805574 573645846 /nfs/dbraw/zinc/64/58/46/573645846.db2.gz PFQGPIHLPHEIHN-RNFRBKRXSA-N 1 1 195.266 1.648 10 0 ADAEMO C[C@H]([NH3+])c1[nH]ncc1C1CC1 257838741 573645847 /nfs/dbraw/zinc/64/58/47/573645847.db2.gz NAIQHGSNGZWVAR-YFKPBYRVSA-N 1 1 151.213 1.307 10 0 ADAEMO C[N@H+](C1CC1)[C@H]1CCCC(C)(C)[C@@H]1N 86842209 573645855 /nfs/dbraw/zinc/64/58/55/573645855.db2.gz MXLVKDYEYHTQGC-WDEREUQCSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCC(C)(C)[C@@H]1N 86842209 573645861 /nfs/dbraw/zinc/64/58/61/573645861.db2.gz MXLVKDYEYHTQGC-WDEREUQCSA-N 1 1 196.338 1.987 10 0 ADAEMO CN(C1CC1)[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842209 573645865 /nfs/dbraw/zinc/64/58/65/573645865.db2.gz MXLVKDYEYHTQGC-WDEREUQCSA-N 1 1 196.338 1.987 10 0 ADAEMO C[C@H]([NH3+])c1nc([C@@H]2CCCN2C)co1 257839573 573645988 /nfs/dbraw/zinc/64/59/88/573645988.db2.gz BIAOKIHZGGDUKD-CBAPKCEASA-N 1 1 195.266 1.461 10 0 ADAEMO C[C@@H]1C[C@@H]([C@@H]2CCCN(C)C2)[NH2+]1 259149900 573646031 /nfs/dbraw/zinc/64/60/31/573646031.db2.gz KHDMGYNTDLNCEL-BBBLOLIVSA-N 1 1 168.284 1.079 10 0 ADAEMO CC1(C)CCC[C@@H]([NH+]2CCCC2)[C@@H]1N 86841770 573646076 /nfs/dbraw/zinc/64/60/76/573646076.db2.gz LFPCNUITVAZFFW-MNOVXSKESA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]([NH3+])c1nc([C@H]2CCCN2C)co1 257839575 573646099 /nfs/dbraw/zinc/64/60/99/573646099.db2.gz BIAOKIHZGGDUKD-VXNVDRBHSA-N 1 1 195.266 1.461 10 0 ADAEMO CC(C)[C@@H]([NH3+])c1nc([C@H]2C[C@H]2C)no1 83805228 573646187 /nfs/dbraw/zinc/64/61/87/573646187.db2.gz SQWMEZBNZJQAFC-GJMOJQLCSA-N 1 1 195.266 1.849 10 0 ADAEMO CC(C)CC(C)(C)C[NH2+]CN 258829879 573646259 /nfs/dbraw/zinc/64/62/59/573646259.db2.gz GXIWLTBKAOEWEU-UHFFFAOYSA-N 1 1 158.289 1.565 10 0 ADAEMO C[C@H]1CCC[C@H]2CCNC[N@@H+]12 238463067 573646292 /nfs/dbraw/zinc/64/62/92/573646292.db2.gz TWRREPHLPIKLKU-IUCAKERBSA-N 1 1 154.257 1.180 10 0 ADAEMO C[C@H]1CCC[C@H]2CC[NH2+]CN12 238463067 573646300 /nfs/dbraw/zinc/64/63/00/573646300.db2.gz TWRREPHLPIKLKU-IUCAKERBSA-N 1 1 154.257 1.180 10 0 ADAEMO C[NH+](C)[C@@H]1CCCC(C)(C)[C@@H]1N 86841964 573646392 /nfs/dbraw/zinc/64/63/92/573646392.db2.gz SWBHDUQYXKLXRF-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C)[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86841964 573646398 /nfs/dbraw/zinc/64/63/98/573646398.db2.gz SWBHDUQYXKLXRF-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO CN[C@H](c1cccc(C)c1)C1C[NH2+]C1 259541228 573646448 /nfs/dbraw/zinc/64/64/48/573646448.db2.gz VHFWTCYOIDJMCH-GFCCVEGCSA-N 1 1 190.290 1.475 10 0 ADAEMO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccon1 308653036 573646737 /nfs/dbraw/zinc/64/67/37/573646737.db2.gz LOPOGTGJTPBVFJ-ZJUUUORDSA-N 1 1 196.250 1.332 10 0 ADAEMO c1coc(CC[NH2+][C@@H]2CCCNC2)c1 43325486 573646575 /nfs/dbraw/zinc/64/65/75/573646575.db2.gz FJKCOJUCHMRKKD-SNVBAGLBSA-N 1 1 194.278 1.164 10 0 ADAEMO CNCC(C)(C)[NH2+]CC1CCC1 258832023 573646592 /nfs/dbraw/zinc/64/65/92/573646592.db2.gz MJDKHEKEKDIQPW-UHFFFAOYSA-N 1 1 170.300 1.374 10 0 ADAEMO CC[C@H](C[NH3+])[C@@H](N)c1ccncc1 259539065 573646607 /nfs/dbraw/zinc/64/66/07/573646607.db2.gz TZJDJTXWKTZSJD-PSASIEDQSA-N 1 1 179.267 1.066 10 0 ADAEMO CC1(C)C[C@@H](O)C[N@H+]1Cc1ccco1 258835319 573646644 /nfs/dbraw/zinc/64/66/44/573646644.db2.gz PMMFCLICXWULDL-SECBINFHSA-N 1 1 195.262 1.625 10 0 ADAEMO COC(=O)[C@@H]1CC[N@@H+](C)[C@H](C(C)C)C1 257839227 573646662 /nfs/dbraw/zinc/64/66/62/573646662.db2.gz JKKJIVBMQAKMPU-ZJUUUORDSA-N 1 1 199.294 1.526 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842210 573646682 /nfs/dbraw/zinc/64/66/82/573646682.db2.gz MXLVKDYEYHTQGC-GHMZBOCLSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@H+](C1CC1)[C@@H]1CCCC(C)(C)[C@@H]1N 86842210 573646687 /nfs/dbraw/zinc/64/66/87/573646687.db2.gz MXLVKDYEYHTQGC-GHMZBOCLSA-N 1 1 196.338 1.987 10 0 ADAEMO CC1(C)CCC[C@H]([NH+]2CCCC2)[C@H]1N 86841773 573646808 /nfs/dbraw/zinc/64/68/08/573646808.db2.gz LFPCNUITVAZFFW-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)CCC[C@H]([NH+]2CCCC2)[C@@H]1N 86841766 573646829 /nfs/dbraw/zinc/64/68/29/573646829.db2.gz LFPCNUITVAZFFW-QWRGUYRKSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)CCC[NH2+]C[C@@H](C)N 258831086 573646855 /nfs/dbraw/zinc/64/68/55/573646855.db2.gz VIOZIZUTMZXQKH-SECBINFHSA-N 1 1 158.289 1.359 10 0 ADAEMO C[NH2+][C@@]1(C(=O)OC)CCCCC1(C)C 86847529 573646948 /nfs/dbraw/zinc/64/69/48/573646948.db2.gz MYTBWBFRXBBKHA-LLVKDONJSA-N 1 1 199.294 1.718 10 0 ADAEMO CC1(C)C[C@H](O)C[N@H+]1Cc1ccco1 258835326 573647007 /nfs/dbraw/zinc/64/70/07/573647007.db2.gz PMMFCLICXWULDL-VIFPVBQESA-N 1 1 195.262 1.625 10 0 ADAEMO CC1(C)CCCC[C@@]1([NH3+])CN 86846514 573647021 /nfs/dbraw/zinc/64/70/21/573647021.db2.gz HXZPULUBKGBBLT-SECBINFHSA-N 1 1 156.273 1.243 10 0 ADAEMO CC1(C)CCCC[C@@H]1[N@H+]1CC[C@H](N)C1 86848159 573648545 /nfs/dbraw/zinc/64/85/45/573648545.db2.gz XJMYKRPDJWXOFS-QWRGUYRKSA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1ccc(C)c2c1CC[C@H](N)[C@H]2[NH3+] 238457924 573648548 /nfs/dbraw/zinc/64/85/48/573648548.db2.gz XIKGEMRUEHEUIN-CMPLNLGQSA-N 1 1 190.290 1.577 10 0 ADAEMO CC1(C)CCCC[C@@H]1N1CC[C@H]([NH3+])C1 86848159 573648551 /nfs/dbraw/zinc/64/85/51/573648551.db2.gz XJMYKRPDJWXOFS-QWRGUYRKSA-N 1 1 196.338 1.988 10 0 ADAEMO c1coc(CC[NH2+][C@H]2CCCNC2)c1 43325488 573647973 /nfs/dbraw/zinc/64/79/73/573647973.db2.gz FJKCOJUCHMRKKD-JTQLQIEISA-N 1 1 194.278 1.164 10 0 ADAEMO C[C@@H]1[C@H](CCCO)CC[N@H+]1C 238457867 573648024 /nfs/dbraw/zinc/64/80/24/573648024.db2.gz AGFCKAHUTYTBSH-RKDXNWHRSA-N 1 1 157.257 1.099 10 0 ADAEMO CCOC(=[NH2+])[C@@H]1C[C@@H]1C 83809675 573648049 /nfs/dbraw/zinc/64/80/49/573648049.db2.gz KFRBWRPPYIIPJG-NTSWFWBYSA-N 1 1 127.187 1.656 10 0 ADAEMO C[NH2+]Cc1nc2c([nH]1)C(C)(C)CCC2 86847993 573648066 /nfs/dbraw/zinc/64/80/66/573648066.db2.gz QJVAIFHCHGMHNU-UHFFFAOYSA-N 1 1 193.294 1.743 10 0 ADAEMO C[C@@H](CCCC[NH3+])NCc1ccon1 308655168 573648074 /nfs/dbraw/zinc/64/80/74/573648074.db2.gz NBIRYNJTBJTZJU-VIFPVBQESA-N 1 1 197.282 1.282 10 0 ADAEMO CN(Cc1cc[nH]c1)CC(C)(C)C[NH3+] 258835400 573648095 /nfs/dbraw/zinc/64/80/95/573648095.db2.gz VQYPLYMFMRBZIT-UHFFFAOYSA-N 1 1 195.310 1.431 10 0 ADAEMO C[C@@H]1C[C@H]1[C@H](O)Cc1cc[nH+]c(N)c1 83807674 573648101 /nfs/dbraw/zinc/64/81/01/573648101.db2.gz YVUVUYLDJMFJLN-SZEHBUNVSA-N 1 1 192.262 1.223 10 0 ADAEMO CC1(C)CCCC[C@@H]1N1CC[NH2+]CC1 86848014 573648178 /nfs/dbraw/zinc/64/81/78/573648178.db2.gz FAMMSYKXAUJSHB-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CO[C@H](C)c1cccc(C(=O)C[NH3+])c1 259540745 573648300 /nfs/dbraw/zinc/64/83/00/573648300.db2.gz VDFWGNZDSZLWFG-MRVPVSSYSA-N 1 1 193.246 1.535 10 0 ADAEMO Cc1[nH+]c([C@H](C)N(C)O)c(C)n1C 96864517 573648358 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CDIIVIJUGOHCLY-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CC(C)(C)Nc1ncnc2c1C[NH2+]C2 257840337 573649819 /nfs/dbraw/zinc/64/98/19/573649819.db2.gz LYMPZYIKYBFLMP-UHFFFAOYSA-N 1 1 192.266 1.290 10 0 ADAEMO CO[C@@H](C)c1cccc(C(=O)C[NH3+])c1 259540748 573649992 /nfs/dbraw/zinc/64/99/92/573649992.db2.gz VDFWGNZDSZLWFG-QMMMGPOBSA-N 1 1 193.246 1.535 10 0 ADAEMO Cc1cc[nH+]c(N)c1[C@H](O)[C@@H]1C[C@@H]1C 83807544 573650020 /nfs/dbraw/zinc/65/00/20/573650020.db2.gz RKBTVXVYIHRDQH-QXFUBDJGSA-N 1 1 192.262 1.662 10 0 ADAEMO CC1(C)CCCC[C@@H]1[NH+]1CC(N)C1 86848376 573650057 /nfs/dbraw/zinc/65/00/57/573650057.db2.gz JEJQYMWHILOJQA-JTQLQIEISA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@H](O)Cc1ccc[nH+]c1N 83808016 573650060 /nfs/dbraw/zinc/65/00/60/573650060.db2.gz IWNXNBSRTMNBOQ-FKTZTGRPSA-N 1 1 192.262 1.223 10 0 ADAEMO C[N@@H+](CCN)[C@@H]1CCCCC1(C)C 86848219 573650188 /nfs/dbraw/zinc/65/01/88/573650188.db2.gz CDIIVIJUGOHCLY-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CN(CC[NH3+])[C@@H]1CCCCC1(C)C 86848219 573650192 /nfs/dbraw/zinc/65/01/92/573650192.db2.gz CDIIVIJUGOHCLY-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 257840326 573650237 /nfs/dbraw/zinc/65/02/37/573650237.db2.gz LXOYLKJNKVZWGM-ZETCQYMHSA-N 1 1 197.200 1.253 10 0 ADAEMO Cc1ccnc(C(F)(F)C[NH3+])c1 238466680 573650314 /nfs/dbraw/zinc/65/03/14/573650314.db2.gz ANCAVCFXJGQYRD-UHFFFAOYSA-N 1 1 172.178 1.441 10 0 ADAEMO CC1(C)CCCc2nc(C[NH3+])[nH]c21 86847991 573650352 /nfs/dbraw/zinc/65/03/52/573650352.db2.gz GKRGIFRESPCFQW-UHFFFAOYSA-N 1 1 179.267 1.482 10 0 ADAEMO C[N@H+]1CCc2cccc(CCO)c2C1 257839802 573650454 /nfs/dbraw/zinc/65/04/54/573650454.db2.gz LTDBRMDXNCNUEY-UHFFFAOYSA-N 1 1 191.274 1.209 10 0 ADAEMO CC1(C)CCCC[C@H]1[NH+]1CC(N)C1 86848377 573650456 /nfs/dbraw/zinc/65/04/56/573650456.db2.gz JEJQYMWHILOJQA-SNVBAGLBSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1C[C@H]1[C@H]([NH3+])Cc1cnccc1N 83808356 573650548 /nfs/dbraw/zinc/65/05/48/573650548.db2.gz QLOVERMZWISSIL-BCMRRPTOSA-N 1 1 191.278 1.190 10 0 ADAEMO [NH3+]C[C@]1(c2cccs2)CCCCN1 258842386 573650748 /nfs/dbraw/zinc/65/07/48/573650748.db2.gz VLICINMZSWNJHN-JTQLQIEISA-N 1 1 196.319 1.676 10 0 ADAEMO CC(C)N(C)C[C@H](C)NC(=[NH2+])C1CC1 308658218 573650811 /nfs/dbraw/zinc/65/08/11/573650811.db2.gz OLHVBQVBSPYOHS-VIFPVBQESA-N 1 1 197.326 1.692 10 0 ADAEMO Cc1cnc2n1[C@@H](C)[C@H]([NH3+])CC2 107816140 573651291 /nfs/dbraw/zinc/65/12/91/573651291.db2.gz IKRDTQGVJNWEAT-JGVFFNPUSA-N 1 1 165.240 1.026 10 0 ADAEMO CC1(C)CCCC[C@H]1N1CC[NH2+]CC1 86848016 573650924 /nfs/dbraw/zinc/65/09/24/573650924.db2.gz FAMMSYKXAUJSHB-LLVKDONJSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]([NH+](C)C)C1(CN)CCC1 259543509 573650939 /nfs/dbraw/zinc/65/09/39/573650939.db2.gz NXUCMHNEGHJXEC-MRVPVSSYSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H](N(C)C)C1(C[NH3+])CCC1 259543509 573650946 /nfs/dbraw/zinc/65/09/46/573650946.db2.gz NXUCMHNEGHJXEC-MRVPVSSYSA-N 1 1 156.273 1.066 10 0 ADAEMO C[NH2+][C@H](CCN(C)C)C(C)C 78849806 573651074 /nfs/dbraw/zinc/65/10/74/573651074.db2.gz AYZPZDKKSOBSGF-SECBINFHSA-N 1 1 158.289 1.182 10 0 ADAEMO C[C@@H](c1cc(C[NH3+])ccc1F)N(C)C 257839836 573651108 /nfs/dbraw/zinc/65/11/08/573651108.db2.gz LTUOGXFGCPTPHI-QMMMGPOBSA-N 1 1 196.269 1.907 10 0 ADAEMO CC1(C)CCCC[C@H]1[N@H+]1CC[C@H](N)C1 86848161 573651147 /nfs/dbraw/zinc/65/11/47/573651147.db2.gz XJMYKRPDJWXOFS-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)CCCC[C@H]1N1CC[C@H]([NH3+])C1 86848161 573651152 /nfs/dbraw/zinc/65/11/52/573651152.db2.gz XJMYKRPDJWXOFS-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)c1nn[nH]c1CCC1([NH3+])CC1 257840301 573651281 /nfs/dbraw/zinc/65/12/81/573651281.db2.gz LWJCPTQNIVBJDD-UHFFFAOYSA-N 1 1 194.282 1.352 10 0 ADAEMO Cc1cnc2n1[C@H](C)[C@@H]([NH3+])CC2 107816141 573651256 /nfs/dbraw/zinc/65/12/56/573651256.db2.gz IKRDTQGVJNWEAT-SFYZADRCSA-N 1 1 165.240 1.026 10 0 ADAEMO CC1(C)CCCC[C@@]12COC(N)=[NH+]2 86850396 573651273 /nfs/dbraw/zinc/65/12/73/573651273.db2.gz WCJUWKWKPPCEHW-SNVBAGLBSA-N 1 1 182.267 1.670 10 0 ADAEMO CC1(C)CC[C@H](O)C[N@H+]1C1CC1 259542095 573652713 /nfs/dbraw/zinc/65/27/13/573652713.db2.gz WTMSMSZLGSLYIA-VIFPVBQESA-N 1 1 169.268 1.384 10 0 ADAEMO CC[N@H+]1CCC[C@H](C[C@@H](C)ON)C1 259543834 573652250 /nfs/dbraw/zinc/65/22/50/573652250.db2.gz VNQYTTLLIXIAIC-NXEZZACHSA-N 1 1 186.299 1.387 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)C[C@H]2CC(=O)C[C@H]21 251775257 573652289 /nfs/dbraw/zinc/65/22/89/573652289.db2.gz VOUBWKAAKUNNGT-KKZNHRDASA-N 1 1 181.279 1.553 10 0 ADAEMO CCCC[C@H]1[NH2+]CCCC[C@H]1N 224483527 573652370 /nfs/dbraw/zinc/65/23/70/573652370.db2.gz BFEVDHBLJKBCAG-NXEZZACHSA-N 1 1 170.300 1.646 10 0 ADAEMO NC[C@]1(CCc2ccco2)CCC[NH2+]1 258842509 573652375 /nfs/dbraw/zinc/65/23/75/573652375.db2.gz VLRYNZCKNJGYDO-LLVKDONJSA-N 1 1 194.278 1.293 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@](N)(CF)CC1 259543285 573652382 /nfs/dbraw/zinc/65/23/82/573652382.db2.gz BZDQRJYVDBAXCP-JTQLQIEISA-N 1 1 188.290 1.548 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H](N)C1(C)C 259542016 573652407 /nfs/dbraw/zinc/65/24/07/573652407.db2.gz WSAQNAPBGOLTSI-VIFPVBQESA-N 1 1 170.300 1.597 10 0 ADAEMO CC(C)N1CCC[C@H]([NH3+])C1(C)C 259542016 573652411 /nfs/dbraw/zinc/65/24/11/573652411.db2.gz WSAQNAPBGOLTSI-VIFPVBQESA-N 1 1 170.300 1.597 10 0 ADAEMO CC1(C)CC[C@H]([NH+]2CCCC2)[C@@H]1N 86855864 573652419 /nfs/dbraw/zinc/65/24/19/573652419.db2.gz HSRPLFQVGMQRIT-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1C[C@@H](CO)[C@@H](CC(C)(F)F)C1 259543326 573652432 /nfs/dbraw/zinc/65/24/32/573652432.db2.gz BZPQSYXJIGLVBO-YUMQZZPRSA-N 1 1 193.237 1.202 10 0 ADAEMO CC1(C)CC[C@@H](N2CCCCC2)[C@H]1[NH3+] 86855968 573652506 /nfs/dbraw/zinc/65/25/06/573652506.db2.gz ZTAPRSVOWOVVQN-GHMZBOCLSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)CC[C@H](N2CCCCC2)[C@H]1[NH3+] 86855967 573652606 /nfs/dbraw/zinc/65/26/06/573652606.db2.gz ZTAPRSVOWOVVQN-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCC[C@@H]1[NH2+]CCCC[C@H]1N 224483573 573652672 /nfs/dbraw/zinc/65/26/72/573652672.db2.gz BFEVDHBLJKBCAG-ZJUUUORDSA-N 1 1 170.300 1.646 10 0 ADAEMO NC([NH3+])(c1ccccc1)c1ccccc1 33753822 573652683 /nfs/dbraw/zinc/65/26/83/573652683.db2.gz ZZTCPWRAHWXWCH-UHFFFAOYSA-N 1 1 198.269 1.805 10 0 ADAEMO C[NH+](C)[C@@H]1CCC(C)(C)[C@H]1N 86855996 573652685 /nfs/dbraw/zinc/65/26/85/573652685.db2.gz DCDXGDIUSGOYKK-SFYZADRCSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[NH+](CC)C[C@H]1CNCC[C@@H]1F 257841617 573652772 /nfs/dbraw/zinc/65/27/72/573652772.db2.gz MICYLKNEGMETKA-ZJUUUORDSA-N 1 1 188.290 1.276 10 0 ADAEMO CC(C)N(C)C[C@@H](C)NC(=[NH2+])C1CC1 308658216 573652780 /nfs/dbraw/zinc/65/27/80/573652780.db2.gz OLHVBQVBSPYOHS-SECBINFHSA-N 1 1 197.326 1.692 10 0 ADAEMO C[C@H]1C[C@@H]1c1ncc(CO)[nH]1 83810677 573652823 /nfs/dbraw/zinc/65/28/23/573652823.db2.gz INLDWQBNKCTLKJ-FSPLSTOPSA-N 1 1 152.197 1.025 10 0 ADAEMO NC[C@@]1(CCc2ccco2)CCC[NH2+]1 258842516 573653640 /nfs/dbraw/zinc/65/36/40/573653640.db2.gz VLRYNZCKNJGYDO-NSHDSACASA-N 1 1 194.278 1.293 10 0 ADAEMO Cc1cnc2n1C[C@H]([NH3+])C[C@@H]2C 107816122 573653645 /nfs/dbraw/zinc/65/36/45/573653645.db2.gz YSNAPGZRIRDOBP-POYBYMJQSA-N 1 1 165.240 1.026 10 0 ADAEMO CC[NH+](CC)C[C@@H]1CNCC[C@@H]1F 257841614 573653647 /nfs/dbraw/zinc/65/36/47/573653647.db2.gz MICYLKNEGMETKA-UWVGGRQHSA-N 1 1 188.290 1.276 10 0 ADAEMO [NH3+]C[C@@]1(c2cccs2)CCCCN1 258842393 573653655 /nfs/dbraw/zinc/65/36/55/573653655.db2.gz VLICINMZSWNJHN-SNVBAGLBSA-N 1 1 196.319 1.676 10 0 ADAEMO CC(C)OC(=O)[C@@H](C)[NH2+]C1CCCC1 308657559 573653666 /nfs/dbraw/zinc/65/36/66/573653666.db2.gz OSJITEQIZYFUQY-SECBINFHSA-N 1 1 199.294 1.859 10 0 ADAEMO C[C@@H]1CO[C@H](c2cccc(O)c2)[NH2+]1 258509022 573653753 /nfs/dbraw/zinc/65/37/53/573653753.db2.gz MNSLGEFYSYODHO-GMSGAONNSA-N 1 1 179.219 1.399 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCC(C)(C)[C@@H]1N 86856349 573653813 /nfs/dbraw/zinc/65/38/13/573653813.db2.gz LKYIADYAXWHJDD-GMTAPVOTSA-N 1 1 196.338 1.987 10 0 ADAEMO CCN(CC)[C@H]1CCC(C)(C)[C@H]1[NH3+] 86855897 573653909 /nfs/dbraw/zinc/65/39/09/573653909.db2.gz UCDLJALSPRVIAZ-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO Cc1ccccc1[C@]1(C)[NH2+]CCC1=O 258843452 573654071 /nfs/dbraw/zinc/65/40/71/573654071.db2.gz KCELMSSTPNPVBP-LBPRGKRZSA-N 1 1 189.258 1.773 10 0 ADAEMO C[NH2+]C[C@@]1(C2CCCC2)CCCN1C 258505400 573654010 /nfs/dbraw/zinc/65/40/10/573654010.db2.gz BERWHJCDDUMZML-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO C[N@@H+](CO)CCc1cccc(F)c1 258844481 573654014 /nfs/dbraw/zinc/65/40/14/573654014.db2.gz CPRCRMOULFLOFU-UHFFFAOYSA-N 1 1 183.226 1.250 10 0 ADAEMO C[C@@H]1C[C@@H]1c1ncc(CO)[nH]1 83810676 573654142 /nfs/dbraw/zinc/65/41/42/573654142.db2.gz INLDWQBNKCTLKJ-VDTYLAMSSA-N 1 1 152.197 1.025 10 0 ADAEMO C[C@@H]1[C@H](CO)CC[C@@H]2CCCC[N@H+]21 238458298 573654166 /nfs/dbraw/zinc/65/41/66/573654166.db2.gz NQTQOANMFLGZAY-VWYCJHECSA-N 1 1 183.295 1.632 10 0 ADAEMO CN(C1CC1)[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86856116 573654170 /nfs/dbraw/zinc/65/41/70/573654170.db2.gz KEMLISZXCHYZJC-NXEZZACHSA-N 1 1 182.311 1.597 10 0 ADAEMO C[N@H+](C1CC1)[C@@H]1CCC(C)(C)[C@@H]1N 86856116 573654177 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1.221 10 0 ADAEMO Cc1cc(N)cc([C@H]2CCC[NH2+]C2)n1 238474898 573664457 /nfs/dbraw/zinc/66/44/57/573664457.db2.gz UCORIGREWBJAHK-VIFPVBQESA-N 1 1 191.278 1.439 10 0 ADAEMO Cc1nc(N)cc(NC(C)C)[nH+]1 83823764 573664651 /nfs/dbraw/zinc/66/46/51/573664651.db2.gz SUUZUCDDDFZMTP-UHFFFAOYSA-N 1 1 166.228 1.188 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)Cc1cnc(N)nc1 308665197 573664793 /nfs/dbraw/zinc/66/47/93/573664793.db2.gz SCSVFAMSVOWJSL-MRVPVSSYSA-N 1 1 194.282 1.289 10 0 ADAEMO C/C=C\CN1CC[N@H+](CC)C[C@H]1C 308416329 573664810 /nfs/dbraw/zinc/66/48/10/573664810.db2.gz NGNPHWCYOMOLLN-VLWUPBBWSA-N 1 1 182.311 1.589 10 0 ADAEMO CC1(C)[C@@H](C[NH3+])CC[N@H+]1C1CCCC1 259546034 573664812 /nfs/dbraw/zinc/66/48/12/573664812.db2.gz WYXBNRNJEJTHLA-SNVBAGLBSA-N 1 1 196.338 1.988 10 0 ADAEMO C/C=C\C[N@H+]1CCN(CC)C[C@H]1C 308416329 573664818 /nfs/dbraw/zinc/66/48/18/573664818.db2.gz NGNPHWCYOMOLLN-VLWUPBBWSA-N 1 1 182.311 1.589 10 0 ADAEMO C/C=C\C[N@@H+]1CCN(CC)C[C@H]1C 308416329 573664824 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167.252 1.448 10 0 ADAEMO CC(C)[N@H+]1C[C@@H](O)CC1(C)C 259545894 573666326 /nfs/dbraw/zinc/66/63/26/573666326.db2.gz WXVHQJUSOUDZIY-QMMMGPOBSA-N 1 1 157.257 1.240 10 0 ADAEMO C[C@H](O)[C@@H]1CC[N@H+]2CCCC[C@@H]12 238474918 573666342 /nfs/dbraw/zinc/66/63/42/573666342.db2.gz GRJZJCZYBKZAQR-GUBZILKMSA-N 1 1 169.268 1.242 10 0 ADAEMO CC1(C)CCC[C@]12COC(N)=[NH+]2 86869957 573666550 /nfs/dbraw/zinc/66/65/50/573666550.db2.gz SPNUJVDHQHMZOQ-VIFPVBQESA-N 1 1 168.240 1.280 10 0 ADAEMO CC(C)OC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1C 308662485 573666581 /nfs/dbraw/zinc/66/65/81/573666581.db2.gz QUJPVXYGIFZJDM-AEJSXWLSSA-N 1 1 199.294 1.572 10 0 ADAEMO Cc1ccsc1C(C)(C)C[NH2+]CN 258863114 573666812 /nfs/dbraw/zinc/66/68/12/573666812.db2.gz KCEVFGXAAVLMCF-UHFFFAOYSA-N 1 1 198.335 1.840 10 0 ADAEMO C[C@H](O)[C@@H]1CCCC[N@@H+](C)CCC1 238474558 573666822 /nfs/dbraw/zinc/66/68/22/573666822.db2.gz XHWFWVUENAPBOD-WDEREUQCSA-N 1 1 185.311 1.879 10 0 ADAEMO CC[N@H+]1CC[C@@H](c2cc(N)no2)C1 259154542 573666847 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UOBOIVALAUTJNV-WCBMZHEXSA-N 1 1 198.335 1.979 10 0 ADAEMO CC1(C)[C@@H](CO)CC[N@H+]1C1CC1 259550550 573670626 /nfs/dbraw/zinc/67/06/26/573670626.db2.gz XGXPTDHQSGJAOD-MRVPVSSYSA-N 1 1 169.268 1.242 10 0 ADAEMO C[C@H](CC(F)F)[NH2+][C@H]1CCCNC1 308411930 573670647 /nfs/dbraw/zinc/67/06/47/573670647.db2.gz OWIBFWFARGARID-SFYZADRCSA-N 1 1 192.253 1.372 10 0 ADAEMO C[NH2+]CNCCC1CCCC1 258868854 573670663 /nfs/dbraw/zinc/67/06/63/573670663.db2.gz KSDMEIPZARCFBO-UHFFFAOYSA-N 1 1 156.273 1.333 10 0 ADAEMO Clc1nc(C2CC2)nc2c1C[NH2+]C2 257846884 573670674 /nfs/dbraw/zinc/67/06/74/573670674.db2.gz DCNFQQIUCIHCMV-UHFFFAOYSA-N 1 1 195.653 1.611 10 0 ADAEMO CC[C@@H]1CC[N@H+]1C[C@@H](O)CC(C)C 308412391 573670872 /nfs/dbraw/zinc/67/08/72/573670872.db2.gz PAXTUZOOXNXREA-MNOVXSKESA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@@H]1C[C@@H]2[NH2+]Cc3ccccc3N2C1 238467298 573671004 /nfs/dbraw/zinc/67/10/04/573671004.db2.gz GMSKESXCKBITIX-BXKDBHETSA-N 1 1 188.274 1.962 10 0 ADAEMO C[C@H](C[NH3+])c1[nH]ccc2nccc1-2 238467085 573671058 /nfs/dbraw/zinc/67/10/58/573671058.db2.gz IZRODJBPRNQONN-SSDOTTSWSA-N 1 1 175.235 1.625 10 0 ADAEMO CC(C)[C@@H](C[NH3+])[C@@H](N)c1cccs1 259550465 573671138 /nfs/dbraw/zinc/67/11/38/573671138.db2.gz UOBOIVALAUTJNV-PSASIEDQSA-N 1 1 198.335 1.979 10 0 ADAEMO C[N@@H+](CCC1CC1)[C@@H]1CCC(=O)C1 308412344 573671150 /nfs/dbraw/zinc/67/11/50/573671150.db2.gz OXJUGOFWEYRXES-SNVBAGLBSA-N 1 1 181.279 1.840 10 0 ADAEMO Cc1nc([C@H](CO)[NH2+]C2CC2)cs1 126760722 573671216 /nfs/dbraw/zinc/67/12/16/573671216.db2.gz ZQWTWELIMYGCSH-QMMMGPOBSA-N 1 1 198.291 1.237 10 0 ADAEMO COC(=O)CC[N@@H+](C)CCC1CCC1 258860189 573671356 /nfs/dbraw/zinc/67/13/56/573671356.db2.gz FIHFPEXCWNIOQZ-UHFFFAOYSA-N 1 1 199.294 1.672 10 0 ADAEMO c1c[nH]c(CNC[C@H]2CCC[NH2+]C2)c1 258867326 573671520 /nfs/dbraw/zinc/67/15/20/573671520.db2.gz ALBGEZXLYWBKKH-JTQLQIEISA-N 1 1 193.294 1.104 10 0 ADAEMO CN[C@H]1CC[N@@H+]([C@@H]2CCCC2(C)C)C1 86875497 573671556 /nfs/dbraw/zinc/67/15/56/573671556.db2.gz 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NESHSXRKRMZRSK-ZCFIWIBFSA-N 1 1 199.279 1.139 10 0 ADAEMO CCCC1([C@H]2COC(N)=[NH+]2)CCC1 686128997 573689311 /nfs/dbraw/zinc/68/93/11/573689311.db2.gz PHKCLBALQCWJBI-MRVPVSSYSA-N 1 1 182.267 1.880 10 0 ADAEMO Cc1cc(C)c(C)c([C@@H]([NH3+])CN)c1C 259159138 573689313 /nfs/dbraw/zinc/68/93/13/573689313.db2.gz VIRFKHPHGTZOBG-NSHDSACASA-N 1 1 192.306 1.879 10 0 ADAEMO Cc1oc(C[NH3+])nc1[C@H]1CCCCO1 258085226 573689318 /nfs/dbraw/zinc/68/93/18/573689318.db2.gz MRVOWMYSGKVROE-MRVPVSSYSA-N 1 1 196.250 1.683 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+](C)Cc1cnn[nH]1 393550350 573689365 /nfs/dbraw/zinc/68/93/65/573689365.db2.gz PRMPFECRCQIVLP-ZETCQYMHSA-N 1 1 180.255 1.035 10 0 ADAEMO Cc1oc([C@H](C)[NH3+])nc1[C@H]1CCCO1 258093785 573689368 /nfs/dbraw/zinc/68/93/68/573689368.db2.gz NGVXEIPPAXWREP-POYBYMJQSA-N 1 1 196.250 1.854 10 0 ADAEMO C[C@@H](C1CC1)[N@H+](C)Cc1c[nH]nn1 393550350 573689369 /nfs/dbraw/zinc/68/93/69/573689369.db2.gz PRMPFECRCQIVLP-ZETCQYMHSA-N 1 1 180.255 1.035 10 0 ADAEMO CC[N@@H+](Cc1ccc[nH]1)[C@H](C)CO 308421925 573689403 /nfs/dbraw/zinc/68/94/03/573689403.db2.gz UBQMRHQKMPBNAK-SECBINFHSA-N 1 1 182.267 1.217 10 0 ADAEMO Cc1cc(C)cc(C[NH2+]CCN)c1 43393577 573689432 /nfs/dbraw/zinc/68/94/32/573689432.db2.gz CFTXDJBNTCTZPF-UHFFFAOYSA-N 1 1 178.279 1.352 10 0 ADAEMO CC(=O)Cc1[nH+]cc2ccc(N)cn12 258416345 573689594 /nfs/dbraw/zinc/68/95/94/573689594.db2.gz VXEHFTJVKOXZMT-UHFFFAOYSA-N 1 1 189.218 1.048 10 0 ADAEMO CCCC1([C@@H]2COC(N)=[NH+]2)CCC1 686129000 573689656 /nfs/dbraw/zinc/68/96/56/573689656.db2.gz PHKCLBALQCWJBI-QMMMGPOBSA-N 1 1 182.267 1.880 10 0 ADAEMO Cc1cc(C)c(C)c([C@H]([NH3+])CN)c1C 259159135 573689720 /nfs/dbraw/zinc/68/97/20/573689720.db2.gz VIRFKHPHGTZOBG-LLVKDONJSA-N 1 1 192.306 1.879 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](CO)CC1(C)C 259170101 573689796 /nfs/dbraw/zinc/68/97/96/573689796.db2.gz APCAHCXZSGICCV-SNVBAGLBSA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@](N)(C[NH3+])c1c[nH]c2ccccc12 259170169 573689846 /nfs/dbraw/zinc/68/98/46/573689846.db2.gz WHBYNMPYZIOGMT-NSHDSACASA-N 1 1 189.262 1.301 10 0 ADAEMO CC(C)[C@H](CO)C[N@@H+](C)CC1CCC1 258884213 573689866 /nfs/dbraw/zinc/68/98/66/573689866.db2.gz CJDVBBIYFUWFAH-LBPRGKRZSA-N 1 1 199.338 1.983 10 0 ADAEMO COCCc1cn2cc(N)ccc2[nH+]1 258093764 573689871 /nfs/dbraw/zinc/68/98/71/573689871.db2.gz XLIDPBZAHBPRMD-UHFFFAOYSA-N 1 1 191.234 1.105 10 0 ADAEMO OCCCNc1ccc2[nH]c[nH+]c2c1 259160010 573689874 /nfs/dbraw/zinc/68/98/74/573689874.db2.gz XYXIFFLHVIBLCL-UHFFFAOYSA-N 1 1 191.234 1.357 10 0 ADAEMO CCC[C@H](CN)[N@H+]1CC[C@@H]2CCC[C@H]21 393550729 573690029 /nfs/dbraw/zinc/69/00/29/573690029.db2.gz JBTICGCHKYBOPY-QJPTWQEYSA-N 1 1 196.338 1.988 10 0 ADAEMO [NH3+]C1(c2nc([C@H]3CCOC3)co2)CC1 257847275 573690063 /nfs/dbraw/zinc/69/00/63/573690063.db2.gz NYXLKCAGDRHBHF-ZETCQYMHSA-N 1 1 194.234 1.126 10 0 ADAEMO CCC[NH2+][C@@H](CC)CCN(C)C 126805509 573690158 /nfs/dbraw/zinc/69/01/58/573690158.db2.gz ARFFADWNLCTUON-JTQLQIEISA-N 1 1 172.316 1.716 10 0 ADAEMO CCC[C@H](CN)[N@H+]1CC[C@@H]2CCC[C@@H]21 393550731 573690278 /nfs/dbraw/zinc/69/02/78/573690278.db2.gz JBTICGCHKYBOPY-TUAOUCFPSA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1oc([C@@H](C)[NH3+])nc1[C@H]1CCCO1 258093782 573690419 /nfs/dbraw/zinc/69/04/19/573690419.db2.gz NGVXEIPPAXWREP-HTRCEHHLSA-N 1 1 196.250 1.854 10 0 ADAEMO COc1ccc([C@H](N)CC[NH3+])cc1F 259163211 573691194 /nfs/dbraw/zinc/69/11/94/573691194.db2.gz DQGGHYNDQGHEIF-SECBINFHSA-N 1 1 198.241 1.183 10 0 ADAEMO COc1ccccc1[C@@H](N)C[C@@H](C)[NH3+] 259558548 573691539 /nfs/dbraw/zinc/69/15/39/573691539.db2.gz XXFBIFOODDUOKT-SCZZXKLOSA-N 1 1 194.278 1.432 10 0 ADAEMO OCCC[N@@H+](C1CC1)[C@@H]1CCCOC1 308422315 573691543 /nfs/dbraw/zinc/69/15/43/573691543.db2.gz OPLXWVBBDMNYQD-LLVKDONJSA-N 1 1 199.294 1.012 10 0 ADAEMO CC[C@]1(C)CN(C)CC[N@H+]1C 259163433 573691560 /nfs/dbraw/zinc/69/15/60/573691560.db2.gz VSUBMHXDVPYJDH-SECBINFHSA-N 1 1 156.273 1.032 10 0 ADAEMO CC[C@]1(C)C[N@H+](C)CCN1C 259163433 573691564 /nfs/dbraw/zinc/69/15/64/573691564.db2.gz VSUBMHXDVPYJDH-SECBINFHSA-N 1 1 156.273 1.032 10 0 ADAEMO CC[C@]1(C)C[N@@H+](C)CCN1C 259163433 573691570 /nfs/dbraw/zinc/69/15/70/573691570.db2.gz VSUBMHXDVPYJDH-SECBINFHSA-N 1 1 156.273 1.032 10 0 ADAEMO COC(=O)[C@@H]1CC[N@@H+](C(C)C)C1(C)C 259161802 573691655 /nfs/dbraw/zinc/69/16/55/573691655.db2.gz GDNFRGWSKHIUDG-VIFPVBQESA-N 1 1 199.294 1.668 10 0 ADAEMO C[NH+](C)[C@H](c1cc[nH]c1)C1(N)CC1 259161157 573692523 /nfs/dbraw/zinc/69/25/23/573692523.db2.gz LSHMLZBXVBRRJL-SECBINFHSA-N 1 1 179.267 1.109 10 0 ADAEMO C[N@@H+](CCO)[C@H]1CCOC2(CCC2)C1 86913742 573692560 /nfs/dbraw/zinc/69/25/60/573692560.db2.gz BMKLWHBUWYDPDV-JTQLQIEISA-N 1 1 199.294 1.012 10 0 ADAEMO CC(C)[C@@H](N)[C@H]1CCCC[NH2+]1 259165635 573692886 /nfs/dbraw/zinc/69/28/86/573692886.db2.gz DRNBPHYNKLLAJI-RKDXNWHRSA-N 1 1 156.273 1.112 10 0 ADAEMO Cc1nc(C[N@H+](C)CC2CC2)c[nH]1 308419095 573694375 /nfs/dbraw/zinc/69/43/75/573694375.db2.gz OBNTYVPBGHOXPR-UHFFFAOYSA-N 1 1 179.267 1.560 10 0 ADAEMO Cc1nc(C[N@@H+](C)CC2CC2)c[nH]1 308419095 573694381 /nfs/dbraw/zinc/69/43/81/573694381.db2.gz OBNTYVPBGHOXPR-UHFFFAOYSA-N 1 1 179.267 1.560 10 0 ADAEMO Cc1ccc(CNC(C)(C)CC[NH3+])o1 258881132 573693770 /nfs/dbraw/zinc/69/37/70/573693770.db2.gz QFSQKTMAZXNMLF-UHFFFAOYSA-N 1 1 196.294 1.805 10 0 ADAEMO CCC[C@@H]([NH3+])CN(C)CCC1CC1 308418757 573693837 /nfs/dbraw/zinc/69/38/37/573693837.db2.gz RTNRWQNDGNRHSS-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@H](N)C[N@H+](C)CCC1CC1 308418757 573693842 /nfs/dbraw/zinc/69/38/42/573693842.db2.gz RTNRWQNDGNRHSS-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@H](N)C[N@@H+](C)CCC1CC1 308418757 573693847 /nfs/dbraw/zinc/69/38/47/573693847.db2.gz RTNRWQNDGNRHSS-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO OC1CCC([NH2+]CC(F)F)CC1 236489147 573693878 /nfs/dbraw/zinc/69/38/78/573693878.db2.gz FFJRCDKTTLJHQV-UHFFFAOYSA-N 1 1 179.210 1.145 10 0 ADAEMO CC(C)[C@H](N)[C@@H]1CCCC[NH2+]1 259165632 573694054 /nfs/dbraw/zinc/69/40/54/573694054.db2.gz DRNBPHYNKLLAJI-IUCAKERBSA-N 1 1 156.273 1.112 10 0 ADAEMO COc1ccccc1[C@H](N)C[C@H](C)[NH3+] 259558550 573694093 /nfs/dbraw/zinc/69/40/93/573694093.db2.gz XXFBIFOODDUOKT-WCBMZHEXSA-N 1 1 194.278 1.432 10 0 ADAEMO Cc1[nH]nc2cc(C[NH3+])c(Cl)cc12 259558593 573694107 /nfs/dbraw/zinc/69/41/07/573694107.db2.gz UXVQMIHZYZEZKJ-UHFFFAOYSA-N 1 1 195.653 1.983 10 0 ADAEMO Cc1ncc(C[N@@H+](C)CC2CC2)[nH]1 308419095 573694366 /nfs/dbraw/zinc/69/43/66/573694366.db2.gz OBNTYVPBGHOXPR-UHFFFAOYSA-N 1 1 179.267 1.560 10 0 ADAEMO CNOCCC[C@@H]1CCC[N@H+]1C 258087843 573695199 /nfs/dbraw/zinc/69/51/99/573695199.db2.gz XBYULUZAUXMVNR-VIFPVBQESA-N 1 1 172.272 1.012 10 0 ADAEMO CCC(F)(F)CNC[C@@H]1C[C@H]1C[NH3+] 715172290 573695250 /nfs/dbraw/zinc/69/52/50/573695250.db2.gz ANIQMRDTTYNXHO-YUMQZZPRSA-N 1 1 192.253 1.216 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1CCC1CC1 83913351 573695276 /nfs/dbraw/zinc/69/52/76/573695276.db2.gz KMEKWDWVKIIPGG-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1C[NH2+]CCN1CCC1CC1 83913351 573695278 /nfs/dbraw/zinc/69/52/78/573695278.db2.gz KMEKWDWVKIIPGG-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO CS[C@H](C)C[NH2+]CC(F)F 122075469 573695402 /nfs/dbraw/zinc/69/54/02/573695402.db2.gz BFXXSBHLLSUIRH-RXMQYKEDSA-N 1 1 169.240 1.593 10 0 ADAEMO CC1(C)C[N@@H+](CCC2CC2)CCCN1 83913026 573695483 /nfs/dbraw/zinc/69/54/83/573695483.db2.gz ZAPMYIQSUBFUBE-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]1C[N@@H+](CCC2CC2)[C@H](C)CN1 83913115 573695528 /nfs/dbraw/zinc/69/55/28/573695528.db2.gz TVPBGFCUDBKMDU-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CN(CCC2CC2)[C@H](C)C[NH2+]1 83913115 573695536 /nfs/dbraw/zinc/69/55/36/573695536.db2.gz TVPBGFCUDBKMDU-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO COC(=O)[C@H]1CC[N@@H+](C(C)C)C1(C)C 259161799 573695539 /nfs/dbraw/zinc/69/55/39/573695539.db2.gz GDNFRGWSKHIUDG-SECBINFHSA-N 1 1 199.294 1.668 10 0 ADAEMO [NH3+][C@@H]1CCC[N@@H+](CCC2CC2)C1 83912937 573695554 /nfs/dbraw/zinc/69/55/54/573695554.db2.gz BFVVKDCZBMVLCW-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO [NH3+][C@@H]1CCCN(CCC2CC2)C1 83912937 573695560 /nfs/dbraw/zinc/69/55/60/573695560.db2.gz BFVVKDCZBMVLCW-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO N[C@@H]1CCC[N@H+](CCC2CC2)C1 83912937 573695570 /nfs/dbraw/zinc/69/55/70/573695570.db2.gz BFVVKDCZBMVLCW-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO N[C@@H]1CCC[N@@H+](CCC2CC2)C1 83912937 573695575 /nfs/dbraw/zinc/69/55/75/573695575.db2.gz BFVVKDCZBMVLCW-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO CCC(F)(F)CNC[C@H]1C[C@H]1C[NH3+] 715172288 573695626 /nfs/dbraw/zinc/69/56/26/573695626.db2.gz ANIQMRDTTYNXHO-JGVFFNPUSA-N 1 1 192.253 1.216 10 0 ADAEMO C[C@@H]1CC[N@@H+](CCC2CC2)CCN1 83912306 573695886 /nfs/dbraw/zinc/69/58/86/573695886.db2.gz WMOVLYWAIUEAQW-SNVBAGLBSA-N 1 1 182.311 1.470 10 0 ADAEMO Nc1ccc(NCCC2CC2)[nH+]c1 83893504 573695935 /nfs/dbraw/zinc/69/59/35/573695935.db2.gz SLLDELSYVYXQOO-UHFFFAOYSA-N 1 1 177.251 1.876 10 0 ADAEMO CCC[N@H+]1C[C@@H](N)CCC1(C)C 258885618 573695948 /nfs/dbraw/zinc/69/59/48/573695948.db2.gz TURVTSBVWHTFPO-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CCCN1C[C@@H]([NH3+])CCC1(C)C 258885618 573695953 /nfs/dbraw/zinc/69/59/53/573695953.db2.gz TURVTSBVWHTFPO-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[N@H+]1C[C@H](N)CCC1(C)C 258885615 573696012 /nfs/dbraw/zinc/69/60/12/573696012.db2.gz TURVTSBVWHTFPO-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCCN1C[C@H]([NH3+])CCC1(C)C 258885615 573696017 /nfs/dbraw/zinc/69/60/17/573696017.db2.gz TURVTSBVWHTFPO-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@H]1CC[N@@H+](CCC2CC2)CCC[NH2+]1 83912285 573700023 /nfs/dbraw/zinc/70/00/23/573700023.db2.gz ULBQJSDUQPWHFH-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]1CNCC[N@@H+](CCC2CC2)C1 83912273 573700735 /nfs/dbraw/zinc/70/07/35/573700735.db2.gz NGNGJGMZPVZNOK-SNVBAGLBSA-N 1 1 182.311 1.328 10 0 ADAEMO CC(C)C[C@]1(O)C[C@@H](C)[N@@H+](C)C1 122130455 573700744 /nfs/dbraw/zinc/70/07/44/573700744.db2.gz RLMGAKGIKMMVKF-ZJUUUORDSA-N 1 1 171.284 1.488 10 0 ADAEMO C[NH+]1CCC(c2oncc2C=O)CC1 258415299 573699186 /nfs/dbraw/zinc/69/91/86/573699186.db2.gz DNARZAACIPRNNK-UHFFFAOYSA-N 1 1 194.234 1.296 10 0 ADAEMO CC(=[NH2+])N1C[C@H]2CCCN2C[C@@H]1C 86933463 573699204 /nfs/dbraw/zinc/69/92/04/573699204.db2.gz WPIRXHQHKCGPJM-WCBMZHEXSA-N 1 1 181.283 1.152 10 0 ADAEMO COC[C@H](C)[NH2+]Cc1ncoc1C 308424843 573699210 /nfs/dbraw/zinc/69/92/10/573699210.db2.gz QKXKFQQBZXXPEA-ZETCQYMHSA-N 1 1 184.239 1.108 10 0 ADAEMO C[C@H]1C[N@@H+](CCC2CC2)CCCN1 83913268 573699213 /nfs/dbraw/zinc/69/92/13/573699213.db2.gz GQPTXABMKXPOMJ-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CCC(C)(C)N1CC[N@H+]2CCC[C@@H]2C1 86930687 573699247 /nfs/dbraw/zinc/69/92/47/573699247.db2.gz TUMQXJJCAJTWSB-LLVKDONJSA-N 1 1 196.338 1.955 10 0 ADAEMO CCC[C@@H]1CN(C)CC[C@@H]1[NH2+]CC 308425502 573699439 /nfs/dbraw/zinc/69/94/39/573699439.db2.gz QXUDXIGTECZJJI-MNOVXSKESA-N 1 1 184.327 1.716 10 0 ADAEMO C1CNCC[N@@H+](CCC2CC2)C1 83912270 573699446 /nfs/dbraw/zinc/69/94/46/573699446.db2.gz IOWWXFOEPZAFRN-UHFFFAOYSA-N 1 1 168.284 1.082 10 0 ADAEMO CC[C@H](COC)[N@@H+]1C[C@@H](C)[C@@H](C)C1 393550984 573699463 /nfs/dbraw/zinc/69/94/63/573699463.db2.gz FJFBGARCHWPZBI-OUAUKWLOSA-N 1 1 185.311 1.999 10 0 ADAEMO CC[C@H](CNCC1(F)CC1)[NH+](C)C 308425485 573699466 /nfs/dbraw/zinc/69/94/66/573699466.db2.gz QWZFOHSKSLJHTJ-SECBINFHSA-N 1 1 188.290 1.418 10 0 ADAEMO C[C@H]1C[N@@H+](CCC2CC2)CCN1 83913182 573699511 /nfs/dbraw/zinc/69/95/11/573699511.db2.gz CEEDFLQMBPRLHZ-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]1CN(CCC2CC2)CC[NH2+]1 83913182 573699516 /nfs/dbraw/zinc/69/95/16/573699516.db2.gz CEEDFLQMBPRLHZ-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO CC(C)(C)N1CC[N@H+]2CCC[C@@H]2C1 86930542 573699517 /nfs/dbraw/zinc/69/95/17/573699517.db2.gz MVLFRDQUQXHFOJ-SNVBAGLBSA-N 1 1 182.311 1.565 10 0 ADAEMO C[C@@H]1C[C@@H]1N1CC[N@H+]2CCCC[C@@H]2C1 86929350 573699637 /nfs/dbraw/zinc/69/96/37/573699637.db2.gz PRRWTUMXORUPNY-UTUOFQBUSA-N 1 1 194.322 1.565 10 0 ADAEMO C[C@@H]1C[C@@H]1[N@@H+]1CCN2CCCC[C@@H]2C1 86929350 573699641 /nfs/dbraw/zinc/69/96/41/573699641.db2.gz PRRWTUMXORUPNY-UTUOFQBUSA-N 1 1 194.322 1.565 10 0 ADAEMO C[C@@H]1C[C@@H]1[N@H+]1CCN2CCCC[C@@H]2C1 86929350 573699647 /nfs/dbraw/zinc/69/96/47/573699647.db2.gz PRRWTUMXORUPNY-UTUOFQBUSA-N 1 1 194.322 1.565 10 0 ADAEMO C[C@@H]1C[C@@H]([NH3+])CCN1C/C=C\C1CC1 393646497 573699680 /nfs/dbraw/zinc/69/96/80/573699680.db2.gz WFURSYKGWYHRAD-UVWWULRDSA-N 1 1 194.322 1.764 10 0 ADAEMO Cc1ccoc1[C@H](C)[NH2+][C@@H](C)C(N)=O 308686811 573699725 /nfs/dbraw/zinc/69/97/25/573699725.db2.gz ZVDNQKYZSJGEGN-YUMQZZPRSA-N 1 1 196.250 1.112 10 0 ADAEMO CC[C@]1(C)C[N@@H+](CCC2CC2)CCN1 83913244 573699786 /nfs/dbraw/zinc/69/97/86/573699786.db2.gz DURJFVNAIJIITN-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@]1(C)CN(CCC2CC2)CC[NH2+]1 83913244 573699792 /nfs/dbraw/zinc/69/97/92/573699792.db2.gz DURJFVNAIJIITN-GFCCVEGCSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](c2oncc2N)C1 259168117 573699840 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1.716 10 0 ADAEMO CC[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 86930625 573700066 /nfs/dbraw/zinc/70/00/66/573700066.db2.gz LWASIZRNPALBFS-VXGBXAGGSA-N 1 1 196.338 1.955 10 0 ADAEMO C1C[C@@H]2CN(C3CC3)CCC[N@H+]2C1 86930653 573700116 /nfs/dbraw/zinc/70/01/16/573700116.db2.gz FPCGARNXLXGHCN-LLVKDONJSA-N 1 1 180.295 1.319 10 0 ADAEMO CCC(CC)N1CC[N@H+]2CCC[C@@H]2C1 86930675 573700199 /nfs/dbraw/zinc/70/01/99/573700199.db2.gz KYCWJPUOFCWAJX-GFCCVEGCSA-N 1 1 196.338 1.955 10 0 ADAEMO C[C@H]1CNCC[N@H+]1CCC1CC1 83913354 573700201 /nfs/dbraw/zinc/70/02/01/573700201.db2.gz KMEKWDWVKIIPGG-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO CCC(CC)[N@@H+]1CCN2CCC[C@@H]2C1 86930675 573700204 /nfs/dbraw/zinc/70/02/04/573700204.db2.gz KYCWJPUOFCWAJX-GFCCVEGCSA-N 1 1 196.338 1.955 10 0 ADAEMO C[C@H]1C[NH2+]CCN1CCC1CC1 83913354 573700207 /nfs/dbraw/zinc/70/02/07/573700207.db2.gz KMEKWDWVKIIPGG-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO CCC(CC)[N@H+]1CCN2CCC[C@@H]2C1 86930675 573700210 /nfs/dbraw/zinc/70/02/10/573700210.db2.gz KYCWJPUOFCWAJX-GFCCVEGCSA-N 1 1 196.338 1.955 10 0 ADAEMO Cc1ccoc1[C@@H](C)[NH2+][C@H](C)C(N)=O 308686808 573700293 /nfs/dbraw/zinc/70/02/93/573700293.db2.gz ZVDNQKYZSJGEGN-HTQZYQBOSA-N 1 1 196.250 1.112 10 0 ADAEMO CCC(=[NH2+])N1C[C@H]2CCCN2C[C@@H]1C 86933459 573700316 /nfs/dbraw/zinc/70/03/16/573700316.db2.gz YUNVTLFSYJFTJR-VHSXEESVSA-N 1 1 195.310 1.542 10 0 ADAEMO C[C@@H]1C[C@H](O)[C@@H]2CCCC[C@@H]2[N@H+]1C 238483018 573700325 /nfs/dbraw/zinc/70/03/25/573700325.db2.gz QEGHMBSRQKIYIT-ZNSHCXBVSA-N 1 1 183.295 1.630 10 0 ADAEMO CNCC(C)(C)[NH2+]C1CCCC1 258886361 573700475 /nfs/dbraw/zinc/70/04/75/573700475.db2.gz FFCHBAUGTRVCPV-UHFFFAOYSA-N 1 1 170.300 1.517 10 0 ADAEMO C[C@H]1CC[N@@H+](CCC2CC2)CCN1 83912307 573700499 /nfs/dbraw/zinc/70/04/99/573700499.db2.gz WMOVLYWAIUEAQW-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@H]1C[N@@H+](CCC2CC2)[C@@H](C)CN1 83913123 573700544 /nfs/dbraw/zinc/70/05/44/573700544.db2.gz TVPBGFCUDBKMDU-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CN(CCC2CC2)[C@@H](C)C[NH2+]1 83913123 573700550 /nfs/dbraw/zinc/70/05/50/573700550.db2.gz TVPBGFCUDBKMDU-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC(F)(F)CNC[C@H]1C[C@@H]1C[NH3+] 715172286 573700578 /nfs/dbraw/zinc/70/05/78/573700578.db2.gz ANIQMRDTTYNXHO-HTQZYQBOSA-N 1 1 192.253 1.216 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@H+]1CCC1CC1 83895133 573700592 /nfs/dbraw/zinc/70/05/92/573700592.db2.gz SQZGYFMAAQOVLJ-SECBINFHSA-N 1 1 181.279 1.840 10 0 ADAEMO C1C[C@@H]2C[N@@H+](CC[NH2+]C3CC3)C[C@@H]2C1 126852679 573700663 /nfs/dbraw/zinc/70/06/63/573700663.db2.gz ZUAXULCKGUHGGB-PHIMTYICSA-N 1 1 194.322 1.470 10 0 ADAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C1CC1 86930645 573700703 /nfs/dbraw/zinc/70/07/03/573700703.db2.gz MTFNLVNSCNAOSM-ZYHUDNBSSA-N 1 1 194.322 1.707 10 0 ADAEMO C1C[C@H]2CN(C3CC3)CCC[N@H+]2C1 86930654 573700715 /nfs/dbraw/zinc/70/07/15/573700715.db2.gz FPCGARNXLXGHCN-NSHDSACASA-N 1 1 180.295 1.319 10 0 ADAEMO CNc1[nH]cc(-c2ccncc2)[nH+]1 259168795 573700958 /nfs/dbraw/zinc/70/09/58/573700958.db2.gz UZTLEWMQXKTVJY-UHFFFAOYSA-N 1 1 174.207 1.513 10 0 ADAEMO CCC(=[NH2+])N1CCN2CCC[C@@H]2C1 86933470 573700991 /nfs/dbraw/zinc/70/09/91/573700991.db2.gz QBFKKNVGRGMGEY-SECBINFHSA-N 1 1 181.283 1.154 10 0 ADAEMO CC1(C)C[C@H]1N1CC[N@H+]2CCC[C@@H]2C1 86930941 573701079 /nfs/dbraw/zinc/70/10/79/573701079.db2.gz LZQLHJLXOVAEQO-GHMZBOCLSA-N 1 1 194.322 1.565 10 0 ADAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C1CC1 86930649 573701091 /nfs/dbraw/zinc/70/10/91/573701091.db2.gz MNBCYYBDFOWNIM-MWLCHTKSSA-N 1 1 180.295 1.317 10 0 ADAEMO c1ccc(Cn2cnc3c2C[NH2+]C3)cc1 237998257 573701111 /nfs/dbraw/zinc/70/11/11/573701111.db2.gz ZWVJIWYQRHMBTN-UHFFFAOYSA-N 1 1 199.257 1.535 10 0 ADAEMO CC[C@](C)(C[NH3+])CNCc1ccoc1 130758614 573701143 /nfs/dbraw/zinc/70/11/43/573701143.db2.gz MKMUNWQUVCNISD-LLVKDONJSA-N 1 1 196.294 1.744 10 0 ADAEMO CC(C)C[C@@]1(O)C[C@@H](C)[N@@H+](C)C1 122129991 573701248 /nfs/dbraw/zinc/70/12/48/573701248.db2.gz RLMGAKGIKMMVKF-NXEZZACHSA-N 1 1 171.284 1.488 10 0 ADAEMO COC[C@@H](C)C[N@H+]1CCC12CCC2 308425118 573701257 /nfs/dbraw/zinc/70/12/57/573701257.db2.gz QRADEHLVIUHROA-JTQLQIEISA-N 1 1 183.295 1.897 10 0 ADAEMO Cc1nccc([C@@H]2[NH2+]C[C@H](C)S2)n1 124911038 573701284 /nfs/dbraw/zinc/70/12/84/573701284.db2.gz PDKFPTNZRAYWRE-IMTBSYHQSA-N 1 1 195.291 1.509 10 0 ADAEMO C[C@H]1CNC[C@@H](C)[N@H+]1CCC1CC1 83935369 573701288 /nfs/dbraw/zinc/70/12/88/573701288.db2.gz ZYKLJPFZTCOQBU-AOOOYVTPSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[NH2+]C[C@@H](C)N1CCC1CC1 83935369 573701291 /nfs/dbraw/zinc/70/12/91/573701291.db2.gz ZYKLJPFZTCOQBU-AOOOYVTPSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)(C)N1CCC[N@H+]2CCC[C@@H]2C1 86930548 573701376 /nfs/dbraw/zinc/70/13/76/573701376.db2.gz JDMOEZZPQITONG-LLVKDONJSA-N 1 1 196.338 1.955 10 0 ADAEMO C1CC[N@@H+]2CCN(C3CC3)C[C@@H]2C1 86929283 573701514 /nfs/dbraw/zinc/70/15/14/573701514.db2.gz XSWQEDVIJXRPED-NSHDSACASA-N 1 1 180.295 1.319 10 0 ADAEMO C1CCN2CC[N@@H+](C3CC3)C[C@@H]2C1 86929283 573701521 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1 184.327 1.716 10 0 ADAEMO C[NH2+][C@@H](c1cccs1)C(C)(C)N 259167078 573701697 /nfs/dbraw/zinc/70/16/97/573701697.db2.gz CEPFRJNBNLBWRC-QMMMGPOBSA-N 1 1 184.308 1.746 10 0 ADAEMO C[C@@H]1C[C@H]1N1CCC[N@H+]2CCC[C@@H]2C1 86931029 573701801 /nfs/dbraw/zinc/70/18/01/573701801.db2.gz YOOJGFYERUQWSA-IJLUTSLNSA-N 1 1 194.322 1.565 10 0 ADAEMO CCCC(=[NH2+])N1CCN2CCC[C@@H]2C1 86933469 573701940 /nfs/dbraw/zinc/70/19/40/573701940.db2.gz ZXHBWSWDYMPLIP-SNVBAGLBSA-N 1 1 195.310 1.544 10 0 ADAEMO CC(C)C[C@@]1(O)C[C@H](C)[N@@H+](C)C1 122130232 573701956 /nfs/dbraw/zinc/70/19/56/573701956.db2.gz RLMGAKGIKMMVKF-VHSXEESVSA-N 1 1 171.284 1.488 10 0 ADAEMO C[NH+](C)C[C@@H]1CC[N@H+](C2CCC2)C1 306440011 573701989 /nfs/dbraw/zinc/70/19/89/573701989.db2.gz KBLLWBPWHGHNEA-JTQLQIEISA-N 1 1 182.311 1.422 10 0 ADAEMO CN(C)C[C@@H]1CC[N@@H+](C2CCC2)C1 306440011 573701995 /nfs/dbraw/zinc/70/19/95/573701995.db2.gz KBLLWBPWHGHNEA-JTQLQIEISA-N 1 1 182.311 1.422 10 0 ADAEMO CN(C)C[C@@H]1CC[N@H+](C2CCC2)C1 306440011 573702004 /nfs/dbraw/zinc/70/20/04/573702004.db2.gz KBLLWBPWHGHNEA-JTQLQIEISA-N 1 1 182.311 1.422 10 0 ADAEMO CC(C)[C@H]1C[N@H+]2CCC[C@@H]2CN1C 86930564 573702065 /nfs/dbraw/zinc/70/20/65/573702065.db2.gz HDOMDPYPGUPLKE-GHMZBOCLSA-N 1 1 182.311 1.421 10 0 ADAEMO C[C@H]1C[N@H+](C2CCCCCC2)C[C@@H]1N 235639933 573702077 /nfs/dbraw/zinc/70/20/77/573702077.db2.gz DCLIKMZDDQSQSC-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1C[N@@H+](CCC2CC2)[C@H](C)CCN1 83940910 573702173 /nfs/dbraw/zinc/70/21/73/573702173.db2.gz FHFNHPXBEHCKBL-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO O[C@@H](C[NH+]1CC2(CC2)C1)C(F)(F)F 236524192 573702186 /nfs/dbraw/zinc/70/21/86/573702186.db2.gz WRRRGUJKESDLLB-LURJTMIESA-N 1 1 195.184 1.005 10 0 ADAEMO CN[C@H](CC[NH3+])c1ccc(F)cc1 259558093 573702300 /nfs/dbraw/zinc/70/23/00/573702300.db2.gz UXROJWZHRMPDJP-SNVBAGLBSA-N 1 1 182.242 1.435 10 0 ADAEMO C[C@@H]1C[N@@H+](CCC2CC2)C(C)(C)CN1 83940789 573702210 /nfs/dbraw/zinc/70/22/10/573702210.db2.gz OMVRLHAIOKBMLV-SNVBAGLBSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CN(CCC2CC2)C(C)(C)C[NH2+]1 83940789 573702216 /nfs/dbraw/zinc/70/22/16/573702216.db2.gz OMVRLHAIOKBMLV-SNVBAGLBSA-N 1 1 196.338 1.859 10 0 ADAEMO C[N@@H+](Cc1cc[nH]c1)C(C)(C)CCO 258886489 573702245 /nfs/dbraw/zinc/70/22/45/573702245.db2.gz QPGMIYGRADYWRN-UHFFFAOYSA-N 1 1 196.294 1.608 10 0 ADAEMO CCSCC[N@H+]1CC[C@@H](O)[C@@H]1C 393551833 573702262 /nfs/dbraw/zinc/70/22/62/573702262.db2.gz JNSFJBRSVBKGRJ-DTWKUNHWSA-N 1 1 189.324 1.195 10 0 ADAEMO Cc1ccc([C@@H](N)C2(C[NH3+])CC2)cc1 259558115 573702263 /nfs/dbraw/zinc/70/22/63/573702263.db2.gz UXZRYPGNVFSXDH-LLVKDONJSA-N 1 1 190.290 1.734 10 0 ADAEMO C[C@H]1CN(CCC2CC2)C[C@H](C)[NH2+]1 83935362 573703526 /nfs/dbraw/zinc/70/35/26/573703526.db2.gz MRXMQRQYXPFOOO-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO Cc1cc(C[NH3+])c(O)c(C(F)F)n1 238483642 573703383 /nfs/dbraw/zinc/70/33/83/573703383.db2.gz VCIYRTSLYDVDHC-UHFFFAOYSA-N 1 1 188.177 1.492 10 0 ADAEMO Cc1ccc(Cl)c2[nH+]cc(N)n12 238484156 573703403 /nfs/dbraw/zinc/70/34/03/573703403.db2.gz ZNQWIDUIVVVVQI-UHFFFAOYSA-N 1 1 181.626 1.878 10 0 ADAEMO CC(C)[C@H]([NH3+])CCNCc1ccoc1 130767537 573703409 /nfs/dbraw/zinc/70/34/09/573703409.db2.gz IVDHNDYGEWXMFG-LLVKDONJSA-N 1 1 196.294 1.743 10 0 ADAEMO Cc1ccn2c(CO)[nH+]cc2c1 258417877 573703470 /nfs/dbraw/zinc/70/34/70/573703470.db2.gz BPPUUZBSSJZMIT-UHFFFAOYSA-N 1 1 162.192 1.135 10 0 ADAEMO C1CCC[N@H+]2CCCN[C@H]2CC1 238013874 573703478 /nfs/dbraw/zinc/70/34/78/573703478.db2.gz PNKWEJZYXZWPJO-SNVBAGLBSA-N 1 1 168.284 1.572 10 0 ADAEMO C1CCCN2CCC[NH2+][C@H]2CC1 238013874 573703489 /nfs/dbraw/zinc/70/34/89/573703489.db2.gz PNKWEJZYXZWPJO-SNVBAGLBSA-N 1 1 168.284 1.572 10 0 ADAEMO C[C@@H]1CCNCC[N@H+]1CCC1CC1 83940914 573704446 /nfs/dbraw/zinc/70/44/46/573704446.db2.gz KSZGSFGXBKFSKF-SNVBAGLBSA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@@H]1CC[NH2+]CCN1CCC1CC1 83940914 573704451 /nfs/dbraw/zinc/70/44/51/573704451.db2.gz KSZGSFGXBKFSKF-SNVBAGLBSA-N 1 1 182.311 1.470 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc2c(n1)CCCC2 257849796 573704594 /nfs/dbraw/zinc/70/45/94/573704594.db2.gz ONUZENDQQQZYDW-ZETCQYMHSA-N 1 1 192.266 1.031 10 0 ADAEMO C=C1C=CC(/C=C2/C=CC(=O)N2)=[NH+]1 238017341 573704669 /nfs/dbraw/zinc/70/46/69/573704669.db2.gz JIEFQVMCXHNUPZ-TWGQIWQCSA-N 1 1 172.187 1.081 10 0 ADAEMO Cc1nc(CC2C[NH2+]C2)[nH]c1C(C)C 257849683 573704713 /nfs/dbraw/zinc/70/47/13/573704713.db2.gz OLIBDFLYZKPXLQ-UHFFFAOYSA-N 1 1 193.294 1.603 10 0 ADAEMO C[C@@H]1CN(CCC2CC2)C[C@@H](C)[NH2+]1 83935366 573704749 /nfs/dbraw/zinc/70/47/49/573704749.db2.gz MRXMQRQYXPFOOO-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[NH2+]CC[C@H](N)c1ccc(C)cc1C 259176870 573704792 /nfs/dbraw/zinc/70/47/92/573704792.db2.gz FCJNEXPJUQMXKU-LBPRGKRZSA-N 1 1 192.306 1.913 10 0 ADAEMO C[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1N 83935388 573704977 /nfs/dbraw/zinc/70/49/77/573704977.db2.gz AHDYAOJKFLGVHO-ONGXEEELSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@@H](C)N1CCC1CC1 83935379 573704893 /nfs/dbraw/zinc/70/48/93/573704893.db2.gz ZYKLJPFZTCOQBU-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CCN(CCC2CC2)C[C@@H]1[NH3+] 83935388 573704974 /nfs/dbraw/zinc/70/49/74/573704974.db2.gz AHDYAOJKFLGVHO-ONGXEEELSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1N 83935388 573704982 /nfs/dbraw/zinc/70/49/82/573704982.db2.gz AHDYAOJKFLGVHO-ONGXEEELSA-N 1 1 182.311 1.456 10 0 ADAEMO CN(C)c1ccc2oc(C[NH3+])nc2c1 75844961 573705058 /nfs/dbraw/zinc/70/50/58/573705058.db2.gz QZRXTLQFAIOSGP-UHFFFAOYSA-N 1 1 191.234 1.353 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)CNCc1ccoc1 130770413 573705102 /nfs/dbraw/zinc/70/51/02/573705102.db2.gz PUQYYLKINJPOOI-BDAKNGLRSA-N 1 1 182.267 1.353 10 0 ADAEMO [NH3+]Cc1cc([C@@H]2CCCCS2)[nH]n1 257849201 573705131 /nfs/dbraw/zinc/70/51/31/573705131.db2.gz AXAKHRCIVFJNMZ-VIFPVBQESA-N 1 1 197.307 1.827 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1[C@@H]1C[NH2+][C@@H](C)C1 258100399 573705148 /nfs/dbraw/zinc/70/51/48/573705148.db2.gz HCNRFHJJJYKCSV-GARJFASQSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H](CNCc1ccoc1)[C@@H](C)[NH3+] 130769771 573705209 /nfs/dbraw/zinc/70/52/09/573705209.db2.gz PUQYYLKINJPOOI-DTWKUNHWSA-N 1 1 182.267 1.353 10 0 ADAEMO C[C@@H]1CCN(CCC2CC2)C[C@@H]1[NH3+] 83935384 573705345 /nfs/dbraw/zinc/70/53/45/573705345.db2.gz AHDYAOJKFLGVHO-KOLCDFICSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1N 83935384 573705348 /nfs/dbraw/zinc/70/53/48/573705348.db2.gz AHDYAOJKFLGVHO-KOLCDFICSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1N 83935384 573705353 /nfs/dbraw/zinc/70/53/53/573705353.db2.gz AHDYAOJKFLGVHO-KOLCDFICSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]([NH3+])[C@H]1CCCCN1CCC1CC1 83926008 573705470 /nfs/dbraw/zinc/70/54/70/573705470.db2.gz TZKIETLPCPNMIO-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CCNCC[N@H+]1CCC1CC1 83940917 573705495 /nfs/dbraw/zinc/70/54/95/573705495.db2.gz KSZGSFGXBKFSKF-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@H]1CC[NH2+]CCN1CCC1CC1 83940917 573705498 /nfs/dbraw/zinc/70/54/98/573705498.db2.gz KSZGSFGXBKFSKF-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@H]1CCC[N@@H+](CCC2CC2)[C@@H]1CN 83935421 573705533 /nfs/dbraw/zinc/70/55/33/573705533.db2.gz TVGRRHVXYSXRJY-CMPLNLGQSA-N 1 1 196.338 1.846 10 0 ADAEMO Cc1nc2c(s1)C[N@@H+](C)CC2 75838602 573705653 /nfs/dbraw/zinc/70/56/53/573705653.db2.gz KWSLMTQPDSYGOL-UHFFFAOYSA-N 1 1 168.265 1.439 10 0 ADAEMO NCc1cc2cccc(C[NH3+])c2o1 257850771 573709797 /nfs/dbraw/zinc/70/97/97/573709797.db2.gz BOCZKEUHJAQSRB-UHFFFAOYSA-N 1 1 176.219 1.350 10 0 ADAEMO CC(C)[C@@H](CN)[N@H+](C)Cc1cc[nH]c1 258889190 573710212 /nfs/dbraw/zinc/71/02/12/573710212.db2.gz QYNPNJVVUMKSMY-LLVKDONJSA-N 1 1 195.310 1.430 10 0 ADAEMO C[NH2+]CNCC(C)(C)C1CCC1 258888880 573707974 /nfs/dbraw/zinc/70/79/74/573707974.db2.gz JGGQEIVUYVXGMT-UHFFFAOYSA-N 1 1 170.300 1.579 10 0 ADAEMO CCC[C@H](C[NH3+])CNCc1ccoc1 130773139 573707383 /nfs/dbraw/zinc/70/73/83/573707383.db2.gz LYXINEIXQKFTNV-SNVBAGLBSA-N 1 1 196.294 1.744 10 0 ADAEMO c1cc2nc[nH]c2c([C@H]2CCC[NH2+]2)n1 238017153 573707453 /nfs/dbraw/zinc/70/74/53/573707453.db2.gz UXSLHYKASGKWBJ-SSDOTTSWSA-N 1 1 188.234 1.382 10 0 ADAEMO c1cc2[nH]cnc2c([C@H]2CCC[NH2+]2)n1 238017153 573707456 /nfs/dbraw/zinc/70/74/56/573707456.db2.gz UXSLHYKASGKWBJ-SSDOTTSWSA-N 1 1 188.234 1.382 10 0 ADAEMO NC1=[NH+]C2(CCCCCC2)CO1 83952568 573708028 /nfs/dbraw/zinc/70/80/28/573708028.db2.gz FIUYKZAAPWKPJT-UHFFFAOYSA-N 1 1 168.240 1.424 10 0 ADAEMO C[C@H]([NH3+])c1ncc(-c2cccnc2)o1 75845372 573707570 /nfs/dbraw/zinc/70/75/70/573707570.db2.gz NGIRFMNEWVTEKV-ZETCQYMHSA-N 1 1 189.218 1.756 10 0 ADAEMO C[C@H]1[NH2+]CCn2cnc(Cl)c21 238477648 573707631 /nfs/dbraw/zinc/70/76/31/573707631.db2.gz SIJXUDZCWXDNKZ-RXMQYKEDSA-N 1 1 171.631 1.201 10 0 ADAEMO CC(C)C[C@]1(C)COC(N)=[NH+]1 83952569 573707699 /nfs/dbraw/zinc/70/76/99/573707699.db2.gz DSINGSYNTRNCRY-MRVPVSSYSA-N 1 1 156.229 1.136 10 0 ADAEMO [NH3+][C@@H]1CCC[C@H]1CNCc1ccoc1 130764680 573707712 /nfs/dbraw/zinc/70/77/12/573707712.db2.gz WCMSWMMCLPXKNV-WDEREUQCSA-N 1 1 194.278 1.497 10 0 ADAEMO C[NH2+]CCCN1CCC2(CCC2)CC1 308688112 573707719 /nfs/dbraw/zinc/70/77/19/573707719.db2.gz BTSOGABVWFRASV-UHFFFAOYSA-N 1 1 196.338 1.862 10 0 ADAEMO C[NH2+]C[C@H](CN)c1cccs1 258100669 573707914 /nfs/dbraw/zinc/70/79/14/573707914.db2.gz KHSKVMYNBOHMJZ-ZETCQYMHSA-N 1 1 170.281 1.010 10 0 ADAEMO C[NH2+][C@H](O)c1ccc(F)cc1F 259561206 573708129 /nfs/dbraw/zinc/70/81/29/573708129.db2.gz WFDMVWFRBLIYFZ-MRVPVSSYSA-N 1 1 173.162 1.175 10 0 ADAEMO Nc1[nH+]cccc1Cc1ccncc1 83951192 573708305 /nfs/dbraw/zinc/70/83/05/573708305.db2.gz BVMLFLZGGUTNIG-UHFFFAOYSA-N 1 1 185.230 1.650 10 0 ADAEMO C[C@@H]1SCCC[C@@]1(CN)[NH+](C)C 86946007 573708358 /nfs/dbraw/zinc/70/83/58/573708358.db2.gz BHWQCRYRRANKGO-IUCAKERBSA-N 1 1 188.340 1.161 10 0 ADAEMO COC(=O)C(C)(C)[N@@H+](C)C1CCC1 258888382 573708469 /nfs/dbraw/zinc/70/84/69/573708469.db2.gz WHWDJYPDEHWYQZ-UHFFFAOYSA-N 1 1 185.267 1.422 10 0 ADAEMO Cc1nc(Cl)c2n1CC[NH2+][C@@H]2C 238477384 573708471 /nfs/dbraw/zinc/70/84/71/573708471.db2.gz PKHXBKVSNNXIHA-RXMQYKEDSA-N 1 1 185.658 1.509 10 0 ADAEMO C[C@@H]1SCCC[C@]1(CN)[NH+](C)C 86946003 573708538 /nfs/dbraw/zinc/70/85/38/573708538.db2.gz BHWQCRYRRANKGO-DTWKUNHWSA-N 1 1 188.340 1.161 10 0 ADAEMO [NH3+]CC(=O)c1ccc2cnccc2c1 108267527 573708694 /nfs/dbraw/zinc/70/86/94/573708694.db2.gz CHMQDRGJOWBFJB-UHFFFAOYSA-N 1 1 186.214 1.376 10 0 ADAEMO CC(C)[C@@H](C[NH3+])CNCc1ccoc1 130791539 573708815 /nfs/dbraw/zinc/70/88/15/573708815.db2.gz ZLFAPSIJQKFACP-NSHDSACASA-N 1 1 196.294 1.600 10 0 ADAEMO C[C@@H]1CCCCC[C@H]1[N@H+]1CC[C@H](N)C1 83949403 573708849 /nfs/dbraw/zinc/70/88/49/573708849.db2.gz YSONOEPQYBBQRR-GRYCIOLGSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1SCCC[C@@]1(CN)[NH+](C)C 86946005 573708856 /nfs/dbraw/zinc/70/88/56/573708856.db2.gz BHWQCRYRRANKGO-BDAKNGLRSA-N 1 1 188.340 1.161 10 0 ADAEMO COCc1cc(F)ccc1C(=O)C[NH3+] 258100920 573708880 /nfs/dbraw/zinc/70/88/80/573708880.db2.gz OTSZWQZVLQSQKI-UHFFFAOYSA-N 1 1 197.209 1.114 10 0 ADAEMO C[C@H]1CC[C@@H]1[NH2+]CCNC(C)(C)C 393554873 573708975 /nfs/dbraw/zinc/70/89/75/573708975.db2.gz NZPXJVIXOXQTBU-UWVGGRQHSA-N 1 1 184.327 1.763 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1CC1(O)CC1 258100565 573709034 /nfs/dbraw/zinc/70/90/34/573709034.db2.gz SBPTZLFLQICEDN-JTQLQIEISA-N 1 1 183.295 1.774 10 0 ADAEMO CC(C)N[C@H](C[NH3+])c1ccc(O)cc1 257850520 573709081 /nfs/dbraw/zinc/70/90/81/573709081.db2.gz OUKCDIBZISKHNT-LLVKDONJSA-N 1 1 194.278 1.390 10 0 ADAEMO C[NH2+]Cc1c[nH]c(C(F)(F)F)n1 108266272 573709157 /nfs/dbraw/zinc/70/91/57/573709157.db2.gz SUQJEIZPIQWHFP-UHFFFAOYSA-N 1 1 179.145 1.148 10 0 ADAEMO C[NH2+][C@H](C1CCC1)[C@@H]1CCCCN1 259561152 573709237 /nfs/dbraw/zinc/70/92/37/573709237.db2.gz WESAGGZKESXFKA-WDEREUQCSA-N 1 1 182.311 1.517 10 0 ADAEMO [NH3+][C@H](CCNCc1ccoc1)C1CC1 130776122 573709245 /nfs/dbraw/zinc/70/92/45/573709245.db2.gz ZJCIJNNZCNNWMI-LLVKDONJSA-N 1 1 194.278 1.497 10 0 ADAEMO C[C@@H]1C(=O)C[C@H]2CCCC[N@@H+]21 238490921 573709499 /nfs/dbraw/zinc/70/94/99/573709499.db2.gz GBOLVLMTRNMGPG-HTQZYQBOSA-N 1 1 153.225 1.202 10 0 ADAEMO Cc1ccc(CC[NH2+]CN)cc1 258888982 573709575 /nfs/dbraw/zinc/70/95/75/573709575.db2.gz MUZOWGJGYOBVIM-UHFFFAOYSA-N 1 1 164.252 1.043 10 0 ADAEMO C[C@@H]1CC[C@@H]1[NH2+]CCNC(C)(C)C 393554876 573709937 /nfs/dbraw/zinc/70/99/37/573709937.db2.gz NZPXJVIXOXQTBU-ZJUUUORDSA-N 1 1 184.327 1.763 10 0 ADAEMO CC(C)[C@@H](CN)[N@@H+](C)Cc1cc[nH]c1 258889190 573710217 /nfs/dbraw/zinc/71/02/17/573710217.db2.gz QYNPNJVVUMKSMY-LLVKDONJSA-N 1 1 195.310 1.430 10 0 ADAEMO Cc1ccccc1[C@@H]1C[NH2+]C[C@@H](N)C1 238491144 573710262 /nfs/dbraw/zinc/71/02/62/573710262.db2.gz FTSAUDUBVKXSSX-QWRGUYRKSA-N 1 1 190.290 1.399 10 0 ADAEMO C[N@H+]1CCc2ccc(CCO)cc2C1 257850533 573710300 /nfs/dbraw/zinc/71/03/00/573710300.db2.gz OUSCVIPDVXXEFH-UHFFFAOYSA-N 1 1 191.274 1.209 10 0 ADAEMO C[C@H]1SCCC[C@]1(CN)[NH+](C)C 86946000 573710352 /nfs/dbraw/zinc/71/03/52/573710352.db2.gz BHWQCRYRRANKGO-RKDXNWHRSA-N 1 1 188.340 1.161 10 0 ADAEMO C[C@H]([NH3+])Cc1ncc([C@H]2CCCO2)[nH]1 258095259 573710387 /nfs/dbraw/zinc/71/03/87/573710387.db2.gz NJAKGTLEVAOMFS-IONNQARKSA-N 1 1 195.266 1.151 10 0 ADAEMO C[C@@H]1C(=O)C[C@@H]2CCCC[N@@H+]21 238490942 573710497 /nfs/dbraw/zinc/71/04/97/573710497.db2.gz GBOLVLMTRNMGPG-SFYZADRCSA-N 1 1 153.225 1.202 10 0 ADAEMO Nc1ccc(Cc2ccncc2)c[nH+]1 83951199 573710514 /nfs/dbraw/zinc/71/05/14/573710514.db2.gz ODDIVVLPYIICJV-UHFFFAOYSA-N 1 1 185.230 1.650 10 0 ADAEMO C[C@@H]1CCCCC[C@@H]1[N@H+]1CC[C@H](N)C1 83949401 573710528 /nfs/dbraw/zinc/71/05/28/573710528.db2.gz YSONOEPQYBBQRR-WOPDTQHZSA-N 1 1 196.338 1.988 10 0 ADAEMO C[NH2+][C@@H](O)c1ccc(F)cc1F 259561209 573712226 /nfs/dbraw/zinc/71/22/26/573712226.db2.gz WFDMVWFRBLIYFZ-QMMMGPOBSA-N 1 1 173.162 1.175 10 0 ADAEMO O[C@H](C[NH+]1CC2(CC2)C1)C(F)(F)F 236558781 573712260 /nfs/dbraw/zinc/71/22/60/573712260.db2.gz WRRRGUJKESDLLB-ZCFIWIBFSA-N 1 1 195.184 1.005 10 0 ADAEMO CC(C)c1cn[nH]c1[C@@H](C)[NH3+] 257850287 573712274 /nfs/dbraw/zinc/71/22/74/573712274.db2.gz RKTHSBZGHOSUBO-ZCFIWIBFSA-N 1 1 153.229 1.553 10 0 ADAEMO CC(C)[C@@H](CO)C[N@@H+](C)C1CCC1 258889555 573712295 /nfs/dbraw/zinc/71/22/95/573712295.db2.gz DAIOXYRILRESPT-SNVBAGLBSA-N 1 1 185.311 1.735 10 0 ADAEMO C[C@H]([NH3+])c1[nH]ncc1C1CCC1 257854118 573712410 /nfs/dbraw/zinc/71/24/10/573712410.db2.gz SSNTYTWBAJXECU-LURJTMIESA-N 1 1 165.240 1.697 10 0 ADAEMO C[C@@H]([NH3+])Cc1ncc([C@@H]2CCCO2)[nH]1 258095252 573712452 /nfs/dbraw/zinc/71/24/52/573712452.db2.gz NJAKGTLEVAOMFS-APPZFPTMSA-N 1 1 195.266 1.151 10 0 ADAEMO CCC[C@@H]([NH3+])CCNCc1ccoc1 130787231 573712492 /nfs/dbraw/zinc/71/24/92/573712492.db2.gz RXFPKECXZGZVAD-LLVKDONJSA-N 1 1 196.294 1.887 10 0 ADAEMO C[C@@H]([NH3+])CCNCc1ccoc1 130779916 573712553 /nfs/dbraw/zinc/71/25/53/573712553.db2.gz DRMLCPFLBPORFW-MRVPVSSYSA-N 1 1 168.240 1.107 10 0 ADAEMO CCC[C@@H](C)[C@H]1COC(N)=[NH+]1 83964471 573712657 /nfs/dbraw/zinc/71/26/57/573712657.db2.gz KWVLLIPLRFQDCT-RNFRBKRXSA-N 1 1 156.229 1.136 10 0 ADAEMO C[NH2+]CCCc1cc(C(C)(C)C)[nH]n1 257850579 573712668 /nfs/dbraw/zinc/71/26/68/573712668.db2.gz OWLNMNYGVWZPIW-UHFFFAOYSA-N 1 1 195.310 1.859 10 0 ADAEMO C[C@@H]1CC[C@@]2(COC(N)=[NH+]2)[C@H](C)C1 83964572 573712703 /nfs/dbraw/zinc/71/27/03/573712703.db2.gz KSAWSBKJQIONBX-NQMVMOMDSA-N 1 1 182.267 1.526 10 0 ADAEMO C/C=C\C[N@@H+](C)C(C)(C)C(=O)OC 393555167 573712721 /nfs/dbraw/zinc/71/27/21/573712721.db2.gz LFKAWBHYLMBDRY-SREVYHEPSA-N 1 1 185.267 1.446 10 0 ADAEMO C/C=C\C[N@H+](C)C(C)(C)C(=O)OC 393555167 573712725 /nfs/dbraw/zinc/71/27/25/573712725.db2.gz LFKAWBHYLMBDRY-SREVYHEPSA-N 1 1 185.267 1.446 10 0 ADAEMO C[C@H]1CCCC[C@@]12COC(N)=[NH+]2 83964616 573712758 /nfs/dbraw/zinc/71/27/58/573712758.db2.gz GGCKXSAZSZBMDY-IONNQARKSA-N 1 1 168.240 1.280 10 0 ADAEMO CC[N@H+]1CC[C@@H](CC2(O)CC2)C1 257850753 573712768 /nfs/dbraw/zinc/71/27/68/573712768.db2.gz BCXWBJJDDVTIAC-VIFPVBQESA-N 1 1 169.268 1.243 10 0 ADAEMO C[C@@]1(C2CCCC2)COC(N)=[NH+]1 83964307 573712774 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c1ccc2c(c1)CC[N@H+]1CNC[C@H]1C2 238040010 573715914 /nfs/dbraw/zinc/71/59/14/573715914.db2.gz AYIUBWXLBQANQW-GFCCVEGCSA-N 1 1 188.274 1.017 10 0 ADAEMO c1ccc2c(c1)CC[N@@H+]1CNC[C@H]1C2 238040010 573715922 /nfs/dbraw/zinc/71/59/22/573715922.db2.gz AYIUBWXLBQANQW-GFCCVEGCSA-N 1 1 188.274 1.017 10 0 ADAEMO CC(C)(C)C[C@H]1COC(N)=[NH+]1 83964571 573715974 /nfs/dbraw/zinc/71/59/74/573715974.db2.gz XVADQHKAHAHPGT-LURJTMIESA-N 1 1 156.229 1.136 10 0 ADAEMO CC[N@H+]([C@@H]1CCOC1)[C@H](C)C(C)=O 393555560 573715977 /nfs/dbraw/zinc/71/59/77/573715977.db2.gz MMAJHOGHXMCQJF-PSASIEDQSA-N 1 1 185.267 1.075 10 0 ADAEMO CCC[C@@H]1C[C@]2(CCO1)COC(N)=[NH+]2 83964604 573715986 /nfs/dbraw/zinc/71/59/86/573715986.db2.gz LGDBUXNOQPJLSR-PSASIEDQSA-N 1 1 198.266 1.049 10 0 ADAEMO C[C@@H]1CCC[C@]2(COC(N)=[NH+]2)[C@@H]1C 83952652 573716003 /nfs/dbraw/zinc/71/60/03/573716003.db2.gz ZKSYCWMHTICRNH-MRTMQBJTSA-N 1 1 182.267 1.526 10 0 ADAEMO C[C@@H]1CCCC[C@@]12COC(N)=[NH+]2 83964614 573716118 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198.266 1.049 10 0 ADAEMO Cc1nc2ccc(C3(O)CC3)cc2[nH]1 258098509 573716635 /nfs/dbraw/zinc/71/66/35/573716635.db2.gz OPHVGUOOGSIOJB-UHFFFAOYSA-N 1 1 188.230 1.853 10 0 ADAEMO CC[N@H+]1CC[C@H](C/C=C\C(=O)OC)C1 258097559 573716681 /nfs/dbraw/zinc/71/66/81/573716681.db2.gz GVXZEAXXHLTDAU-OAQKJQOQSA-N 1 1 197.278 1.448 10 0 ADAEMO CC1(C)CCC[C@@]2(COC(N)=[NH+]2)C1 83964738 573716709 /nfs/dbraw/zinc/71/67/09/573716709.db2.gz QDAYYQMAXVSYOT-JTQLQIEISA-N 1 1 182.267 1.670 10 0 ADAEMO CC[C@@]1(C)C[C@]2(CCO1)COC(N)=[NH+]2 83964988 573716721 /nfs/dbraw/zinc/71/67/21/573716721.db2.gz FKMZDSDHLGPMRZ-VHSXEESVSA-N 1 1 198.266 1.049 10 0 ADAEMO CCC[C@@H](C)[C@@H]1COC(N)=[NH+]1 83964466 573716808 /nfs/dbraw/zinc/71/68/08/573716808.db2.gz KWVLLIPLRFQDCT-RQJHMYQMSA-N 1 1 156.229 1.136 10 0 ADAEMO C[C@H]1CC(C)(C)C[C@@]2(COC(N)=[NH+]2)C1 83964396 573717464 /nfs/dbraw/zinc/71/74/64/573717464.db2.gz PDDFROXIBJSXAU-GZMMTYOYSA-N 1 1 196.294 1.916 10 0 ADAEMO C[C@@H]1SCCC[C@@H]1[N@H+](C)CCN 86947393 573716838 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/nfs/dbraw/zinc/71/78/48/573717848.db2.gz GWYSTXMKVWTWSU-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO CCc1ccc(C(=O)C[NH3+])cc1C 258097405 573718007 /nfs/dbraw/zinc/71/80/07/573718007.db2.gz XIWBIRMRCNPEPX-UHFFFAOYSA-N 1 1 177.247 1.699 10 0 ADAEMO Cc1oc(C[NH3+])nc1[C@@H]1CCCOC1 258097200 573718026 /nfs/dbraw/zinc/71/80/26/573718026.db2.gz NNXOXVMYNAEPMN-MRVPVSSYSA-N 1 1 196.250 1.336 10 0 ADAEMO C[C@@H]1SCCC[C@H]1[N@H+](C)CCN 86947389 573718583 /nfs/dbraw/zinc/71/85/83/573718583.db2.gz KGFGPEPSPGVQFU-DTWKUNHWSA-N 1 1 188.340 1.161 10 0 ADAEMO CC[C@H]1CC[C@]2(COC(N)=[NH+]2)C1 83965141 573718165 /nfs/dbraw/zinc/71/81/65/573718165.db2.gz JOIISVVBDQEUFA-IONNQARKSA-N 1 1 168.240 1.280 10 0 ADAEMO C[C@@H]1SCCC[C@H]1[N@@H+](C)CCN 86947389 573718587 /nfs/dbraw/zinc/71/85/87/573718587.db2.gz KGFGPEPSPGVQFU-DTWKUNHWSA-N 1 1 188.340 1.161 10 0 ADAEMO CC[C@@H]1CC[C@]2(COC(N)=[NH+]2)C1 83965139 573718557 /nfs/dbraw/zinc/71/85/57/573718557.db2.gz JOIISVVBDQEUFA-VXNVDRBHSA-N 1 1 168.240 1.280 10 0 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SIZBZWWNUQCXGS-VIFPVBQESA-N 1 1 169.268 1.243 10 0 ADAEMO c1nc2c([nH]1)CC[C@@H]1CC[NH2+]C[C@H]21 238041680 573720648 /nfs/dbraw/zinc/72/06/48/573720648.db2.gz AZKWJMHSWQAZRY-SFYZADRCSA-N 1 1 177.251 1.049 10 0 ADAEMO C[N@H+]1CCC[C@@H](C2(O)CCC2)C1 258106076 573721538 /nfs/dbraw/zinc/72/15/38/573721538.db2.gz SIZBZWWNUQCXGS-SECBINFHSA-N 1 1 169.268 1.243 10 0 ADAEMO C[C@@H](O)c1coc([C@H]2CCCC[NH2+]2)n1 258104009 573721564 /nfs/dbraw/zinc/72/15/64/573721564.db2.gz NQPOZIPOQZNRTG-HTQZYQBOSA-N 1 1 196.250 1.543 10 0 ADAEMO Cc1[nH+]c(N)[nH]c1-c1cccc(N)c1 257855940 573721635 /nfs/dbraw/zinc/72/16/35/573721635.db2.gz PZEBQGOLQLKCOU-UHFFFAOYSA-N 1 1 188.234 1.550 10 0 ADAEMO C[N@H+]1CCCC[C@@]1(CN)C1CC1 258892183 573721637 /nfs/dbraw/zinc/72/16/37/573721637.db2.gz YNTLEBPMTIBVJK-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO CN1CCCC[C@@]1(C[NH3+])C1CC1 258892183 573721641 /nfs/dbraw/zinc/72/16/41/573721641.db2.gz YNTLEBPMTIBVJK-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO CNO[C@@H]1CCC[N@H+](C(C)C)C1 257855660 573721745 /nfs/dbraw/zinc/72/17/45/573721745.db2.gz ALIFPZBCOOIZQC-SECBINFHSA-N 1 1 172.272 1.010 10 0 ADAEMO CC(C)[N@@H+](C1CCC1)[C@H]1COC[C@H]1O 687965361 573721752 /nfs/dbraw/zinc/72/17/52/573721752.db2.gz LDQUIBVPKIHSTQ-WDEREUQCSA-N 1 1 199.294 1.009 10 0 ADAEMO C[C@H](O)c1coc([C@H]2CCCC[NH2+]2)n1 258104011 573721832 /nfs/dbraw/zinc/72/18/32/573721832.db2.gz NQPOZIPOQZNRTG-JGVFFNPUSA-N 1 1 196.250 1.543 10 0 ADAEMO c1ccc2c(c1)CN[C@@H]1CCC[N@@H+]1C2 238043014 573721872 /nfs/dbraw/zinc/72/18/72/573721872.db2.gz ILOYVPYGEPNDEE-LBPRGKRZSA-N 1 1 188.274 1.712 10 0 ADAEMO CC[C@H]1CC[C@@]2(COC(N)=[NH+]2)C1 83965145 573722220 /nfs/dbraw/zinc/72/22/20/573722220.db2.gz JOIISVVBDQEUFA-CBAPKCEASA-N 1 1 168.240 1.280 10 0 ADAEMO CCC(CC)[C@@H]1COC(N)=[NH+]1 83965088 573722275 /nfs/dbraw/zinc/72/22/75/573722275.db2.gz NLUNIXSIECNONW-ZETCQYMHSA-N 1 1 156.229 1.136 10 0 ADAEMO CC(C)[N@@H+](C1CCC1)[C@@H]1COC[C@H]1O 687965351 573722360 /nfs/dbraw/zinc/72/23/60/573722360.db2.gz LDQUIBVPKIHSTQ-GHMZBOCLSA-N 1 1 199.294 1.009 10 0 ADAEMO Cc1ccccc1[C@H]1C[NH2+]C[C@H](N)C1 238496358 573722555 /nfs/dbraw/zinc/72/25/55/573722555.db2.gz FTSAUDUBVKXSSX-GHMZBOCLSA-N 1 1 190.290 1.399 10 0 ADAEMO C[C@H](O)c1coc([C@@H]2CCCC[NH2+]2)n1 258104015 573722633 /nfs/dbraw/zinc/72/26/33/573722633.db2.gz NQPOZIPOQZNRTG-YUMQZZPRSA-N 1 1 196.250 1.543 10 0 ADAEMO CCC1(CC)C[NH2+]C[C@H](C)N1 108283724 573723254 /nfs/dbraw/zinc/72/32/54/573723254.db2.gz AXYYNEDEUZATGV-QMMMGPOBSA-N 1 1 156.273 1.127 10 0 ADAEMO Cc1coc([C@@H]2[NH2+]CCS2)c1 238496342 573722705 /nfs/dbraw/zinc/72/27/05/573722705.db2.gz CWEMWPRTMQXCDA-MRVPVSSYSA-N 1 1 169.249 1.923 10 0 ADAEMO C[C@H]1Cc2ccccc2[C@@H](CC[NH3+])N1 238485682 573723179 /nfs/dbraw/zinc/72/31/79/573723179.db2.gz AQSSRHUBKBJTLR-JOYOIKCWSA-N 1 1 190.290 1.611 10 0 ADAEMO CNO[C@H]1CCC[N@H+](C(C)C)C1 257855661 573722916 /nfs/dbraw/zinc/72/29/16/573722916.db2.gz ALIFPZBCOOIZQC-VIFPVBQESA-N 1 1 172.272 1.010 10 0 ADAEMO c1nc2c([nH]1)CC[C@@H]1CC[NH2+]C[C@@H]21 238041650 573723014 /nfs/dbraw/zinc/72/30/14/573723014.db2.gz AZKWJMHSWQAZRY-HTQZYQBOSA-N 1 1 177.251 1.049 10 0 ADAEMO Cc1ccccc1[C@H]1C[NH2+]C[C@@H](N)C1 238496315 573723281 /nfs/dbraw/zinc/72/32/81/573723281.db2.gz FTSAUDUBVKXSSX-MNOVXSKESA-N 1 1 190.290 1.399 10 0 ADAEMO C[C@H]1C[NH+]=C(NCc2ccccc2)O1 238496082 573724324 /nfs/dbraw/zinc/72/43/24/573724324.db2.gz MUVGVJQMHAGZGN-VIFPVBQESA-N 1 1 190.246 1.551 10 0 ADAEMO Cc1cccc2c1C(=N)NC2=[NH2+] 108284539 573724486 /nfs/dbraw/zinc/72/44/86/573724486.db2.gz YALUHSFMROHTCA-UHFFFAOYSA-N 1 1 159.192 1.039 10 0 ADAEMO CC[C@@H]1CC[N@H+]([C@@H](C)CN)C1 108283772 573724504 /nfs/dbraw/zinc/72/45/04/573724504.db2.gz VGMVJDCEYLOSHB-DTWKUNHWSA-N 1 1 156.273 1.066 10 0 ADAEMO Cc1ccc2c(c1)C(=[NH2+])NC2=N 108284535 573724793 /nfs/dbraw/zinc/72/47/93/573724793.db2.gz HGLSAUHVALYECJ-UHFFFAOYSA-N 1 1 159.192 1.039 10 0 ADAEMO C[NH2+]C[C@]1(C2CC2)CCCN1C 258892248 573725855 /nfs/dbraw/zinc/72/58/55/573725855.db2.gz 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108283775 573726516 /nfs/dbraw/zinc/72/65/16/573726516.db2.gz VGMVJDCEYLOSHB-IUCAKERBSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@H]1Cc2ccccc2[C@H](CC[NH3+])N1 238485847 573726559 /nfs/dbraw/zinc/72/65/59/573726559.db2.gz AQSSRHUBKBJTLR-CABZTGNLSA-N 1 1 190.290 1.611 10 0 ADAEMO c1n[nH]c2c1[C@H]([NH2+]CC1CC1)CCC2 306698068 573726681 /nfs/dbraw/zinc/72/66/81/573726681.db2.gz XGCYSUCSEYLGBR-SNVBAGLBSA-N 1 1 191.278 1.787 10 0 ADAEMO C[N@H+]1CCNc2cc(F)ccc2CC1 143088265 573726975 /nfs/dbraw/zinc/72/69/75/573726975.db2.gz HABDOCKBVVLUFC-UHFFFAOYSA-N 1 1 194.253 1.726 10 0 ADAEMO CC(C)Cc1cn[nH]c1C[C@@H](C)[NH3+] 257858300 573727045 /nfs/dbraw/zinc/72/70/45/573727045.db2.gz UQTNPKQFOVUEBJ-MRVPVSSYSA-N 1 1 181.283 1.498 10 0 ADAEMO C[C@H](CO)[N@H+]1C[C@H]2CCCCC[C@@H]21 687981708 573727119 /nfs/dbraw/zinc/72/71/19/573727119.db2.gz MEMYHRODFGWAOU-MXWKQRLJSA-N 1 1 183.295 1.632 10 0 ADAEMO CCNc1ccc(C[N@@H+](C)CC)cn1 50812789 573727068 /nfs/dbraw/zinc/72/70/68/573727068.db2.gz NCJNGBRYYFZKRE-UHFFFAOYSA-N 1 1 193.294 1.965 10 0 ADAEMO CC[C@H]1CC[N@@H+]1CC(=O)OC(C)C 308426176 573727076 /nfs/dbraw/zinc/72/70/76/573727076.db2.gz WWTKWEXWIPGIBE-VIFPVBQESA-N 1 1 185.267 1.422 10 0 ADAEMO CC[C@H]1CC[N@H+]1CC(=O)OC(C)C 308426176 573727081 /nfs/dbraw/zinc/72/70/81/573727081.db2.gz WWTKWEXWIPGIBE-VIFPVBQESA-N 1 1 185.267 1.422 10 0 ADAEMO Cc1ccc(N[C@H](C)CCO)[nH+]c1 97635669 573733696 /nfs/dbraw/zinc/73/36/96/573733696.db2.gz OWALOXZKJUKGPT-SECBINFHSA-N 1 1 180.251 1.573 10 0 ADAEMO Cc1ncc2cc(C[NH3+])nc(Cl)n12 238487235 573727333 /nfs/dbraw/zinc/72/73/33/573727333.db2.gz OPKIVDUJZLBTNS-UHFFFAOYSA-N 1 1 196.641 1.150 10 0 ADAEMO COC[C@H](C)C[N@H+]1CCC[C@@H]2C[C@@H]21 308426714 573730268 /nfs/dbraw/zinc/73/02/68/573730268.db2.gz ROUQJQRBOXZWCT-MXWKQRLJSA-N 1 1 183.295 1.753 10 0 ADAEMO C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 75906638 573728542 /nfs/dbraw/zinc/72/85/42/573728542.db2.gz ARDLTCBLGRJCNI-MRVPVSSYSA-N 1 1 165.240 1.219 10 0 ADAEMO Cc1ccccc1[C@H]1CC(=O)C[NH2+]1 258107522 573728683 /nfs/dbraw/zinc/72/86/83/573728683.db2.gz OLCAANMMGYCCFV-LLVKDONJSA-N 1 1 175.231 1.599 10 0 ADAEMO CCCOCCC[NH2+]Cc1c[nH]cn1 130907674 573728970 /nfs/dbraw/zinc/72/89/70/573728970.db2.gz LSSBVFASJRMFBO-UHFFFAOYSA-N 1 1 197.282 1.316 10 0 ADAEMO CC[C@@]1([C@@H]2CCC[NH2+]2)CCCCN1 258109093 573729023 /nfs/dbraw/zinc/72/90/23/573729023.db2.gz HOUSFFXJAJPCOK-QWRGUYRKSA-N 1 1 182.311 1.661 10 0 ADAEMO Cn1ccnc1[C@@H]1CCC[N@@H+](C)C1 75906639 573729052 /nfs/dbraw/zinc/72/90/52/573729052.db2.gz AJARZFNQZVSBIH-SECBINFHSA-N 1 1 179.267 1.229 10 0 ADAEMO C[C@H](CO)[N@H+]1C[C@@H]2CCCCC[C@H]21 687981710 573729092 /nfs/dbraw/zinc/72/90/92/573729092.db2.gz MEMYHRODFGWAOU-OUAUKWLOSA-N 1 1 183.295 1.632 10 0 ADAEMO Cc1nc2n(c1C(C)(C)C)CC[NH2+]C2 83982882 573729142 /nfs/dbraw/zinc/72/91/42/573729142.db2.gz FFOXVEVOLCANEI-UHFFFAOYSA-N 1 1 193.294 1.592 10 0 ADAEMO Cn1ccnc1[C@H]1CCC[N@@H+](C)C1 75906641 573729352 /nfs/dbraw/zinc/72/93/52/573729352.db2.gz AJARZFNQZVSBIH-VIFPVBQESA-N 1 1 179.267 1.229 10 0 ADAEMO c1n[nH]c2c1[C@@H]([NH2+]CC1CC1)CCC2 306698067 573729432 /nfs/dbraw/zinc/72/94/32/573729432.db2.gz XGCYSUCSEYLGBR-JTQLQIEISA-N 1 1 191.278 1.787 10 0 ADAEMO C[N@H+]1CCC[C@@H](C2CCC(O)CC2)C1 75906519 573729458 /nfs/dbraw/zinc/72/94/58/573729458.db2.gz NFGFBHRUJBLLBZ-MOENNCHZSA-N 1 1 197.322 1.879 10 0 ADAEMO CN(CCC1CC1)CC(F)(F)C[NH3+] 393556551 573729595 /nfs/dbraw/zinc/72/95/95/573729595.db2.gz ULWFGWCBLUCGBE-UHFFFAOYSA-N 1 1 192.253 1.312 10 0 ADAEMO CC[C@]1([C@H]2CCC[NH2+]2)CCCCN1 258109088 573730001 /nfs/dbraw/zinc/73/00/01/573730001.db2.gz HOUSFFXJAJPCOK-GHMZBOCLSA-N 1 1 182.311 1.661 10 0 ADAEMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+](C)C1 75906229 573730016 /nfs/dbraw/zinc/73/00/16/573730016.db2.gz RKRULNWEXUOINQ-SNVBAGLBSA-N 1 1 193.294 1.836 10 0 ADAEMO C[C@H](CO)[N@H+]1C[C@H]2CCCCC[C@H]21 687981705 573730083 /nfs/dbraw/zinc/73/00/83/573730083.db2.gz MEMYHRODFGWAOU-GMTAPVOTSA-N 1 1 183.295 1.632 10 0 ADAEMO C[N@H+]1CCC[C@H]([C@@H]2CCC[C@H](O)C2)C1 75906515 573730201 /nfs/dbraw/zinc/73/02/01/573730201.db2.gz YXFRYCUINNSJAC-WOPDTQHZSA-N 1 1 197.322 1.879 10 0 ADAEMO C1CC2(C1)CC([C@H]1C[NH2+]CCN1)C2 717547323 573733791 /nfs/dbraw/zinc/73/37/91/573733791.db2.gz RMTGFPVMYFBCBA-SNVBAGLBSA-N 1 1 180.295 1.128 10 0 ADAEMO CC(C)[C@H]1CC[N@H+]([C@@H](C)CN)C1 108289110 573734127 /nfs/dbraw/zinc/73/41/27/573734127.db2.gz ZOPCUSNJVHWUJS-UWVGGRQHSA-N 1 1 170.300 1.312 10 0 ADAEMO COC(=O)[C@]1(C)CCCC(C)(C)[NH2+]1 258109777 573734129 /nfs/dbraw/zinc/73/41/29/573734129.db2.gz YXWUQMKXSLXBKO-JTQLQIEISA-N 1 1 185.267 1.470 10 0 ADAEMO CC(=O)C[N@H+]1CCCCC1(C)C 108288404 573732775 /nfs/dbraw/zinc/73/27/75/573732775.db2.gz DEIWPZCHBJKUPH-UHFFFAOYSA-N 1 1 169.268 1.840 10 0 ADAEMO CCC[N@H+]1CCC[C@H](C(=O)OC)[C@H]1C 259563267 573732798 /nfs/dbraw/zinc/73/27/98/573732798.db2.gz COMHPWVTJQJMPG-ZJUUUORDSA-N 1 1 199.294 1.670 10 0 ADAEMO CC(C)C[N@H+]1C[C@@H](O)CC1(C)C 258895009 573732939 /nfs/dbraw/zinc/73/29/39/573732939.db2.gz ULWYJOOGXPFYMX-VIFPVBQESA-N 1 1 171.284 1.488 10 0 ADAEMO C[N@H+]1CCC[C@@H](c2cn[nH]c2)C1 75906212 573732952 /nfs/dbraw/zinc/73/29/52/573732952.db2.gz FDWYLFGEWUGJFI-MRVPVSSYSA-N 1 1 165.240 1.219 10 0 ADAEMO Cc1cc(O)c([C@@H]2CCC[NH2+]2)c(=O)[nH]1 238488808 573732970 /nfs/dbraw/zinc/73/29/70/573732970.db2.gz OGOGXPBDFRTXSB-ZETCQYMHSA-N 1 1 194.234 1.226 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@@H](O)CSC)C1 258112235 573733083 /nfs/dbraw/zinc/73/30/83/573733083.db2.gz KWUPDCWUCHLNLT-IUCAKERBSA-N 1 1 189.324 1.052 10 0 ADAEMO Cc1[nH]c(C(F)(F)F)nc1CC[NH3+] 238488817 573733119 /nfs/dbraw/zinc/73/31/19/573733119.db2.gz FXSOJTJWMHHOBN-UHFFFAOYSA-N 1 1 193.172 1.238 10 0 ADAEMO CCOCc1c[nH+]c(C)n1CC 258110587 573733174 /nfs/dbraw/zinc/73/31/74/573733174.db2.gz IZJXPFSHUNDVHJ-UHFFFAOYSA-N 1 1 168.240 1.748 10 0 ADAEMO C[NH2+][C@H]1CC[C@@H](N2CC(C)C2)C1 108287413 573733199 /nfs/dbraw/zinc/73/31/99/573733199.db2.gz ODWYWVILBVRTLL-VHSXEESVSA-N 1 1 168.284 1.079 10 0 ADAEMO CC1CN(CC[C@H]2CCC[NH2+]2)C1 108287587 573733283 /nfs/dbraw/zinc/73/32/83/573733283.db2.gz LCGPLVKGJBVLSE-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO Cc1cccc(C)c1NC[C@@H](N)C[NH3+] 258895648 573733346 /nfs/dbraw/zinc/73/33/46/573733346.db2.gz GASKTRHOZVWMED-JTQLQIEISA-N 1 1 193.294 1.001 10 0 ADAEMO C1CC2(C1)CC([C@@H]1C[NH2+]CCN1)C2 717547319 573733359 /nfs/dbraw/zinc/73/33/59/573733359.db2.gz RMTGFPVMYFBCBA-JTQLQIEISA-N 1 1 180.295 1.128 10 0 ADAEMO CC(C)[C@H]1C[NH2+]CC2(CCC2)N1 108287291 573733363 /nfs/dbraw/zinc/73/33/63/573733363.db2.gz LIUDLJCSZPFQKT-SECBINFHSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@H]1C[N@@H+](C)[C@H](CC2CC2)CN1 108287319 573733455 /nfs/dbraw/zinc/73/34/55/573733455.db2.gz AHDBZRDAGHFCLU-WCBMZHEXSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1CN(C)[C@H](CC2CC2)C[NH2+]1 108287319 573733462 /nfs/dbraw/zinc/73/34/62/573733462.db2.gz AHDBZRDAGHFCLU-WCBMZHEXSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@]1(CO)CC[C@H]2CCCC[N@H+]2C1 238489209 573733489 /nfs/dbraw/zinc/73/34/89/573733489.db2.gz IDNFVDKKVRIXTH-GHMZBOCLSA-N 1 1 183.295 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ADAEMO CC(C)(C)[C@@H]1CC[N@@H+](CCN)C1 108289063 573734883 /nfs/dbraw/zinc/73/48/83/573734883.db2.gz BWYCGVLJVJNDGY-SECBINFHSA-N 1 1 170.300 1.313 10 0 ADAEMO CC[C@@H](F)C[N@@H+](C)C[C@H]1CCCO1 308430076 573735775 /nfs/dbraw/zinc/73/57/75/573735775.db2.gz SXOPCJULUJNXFW-NXEZZACHSA-N 1 1 189.274 1.845 10 0 ADAEMO CCC[N@H+]1CCC[C@@H](C(=O)OC)[C@H]1C 259563265 573735893 /nfs/dbraw/zinc/73/58/93/573735893.db2.gz COMHPWVTJQJMPG-NXEZZACHSA-N 1 1 199.294 1.670 10 0 ADAEMO CC[C@H]1CCCCC[N@H+]1[C@@H](C)CN 108297352 573737800 /nfs/dbraw/zinc/73/78/00/573737800.db2.gz KBLZFEMMNKUZNF-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO C[N@@H+]1CCCNC[C@@H]1CC1CC1 108287281 573736786 /nfs/dbraw/zinc/73/67/86/573736786.db2.gz XAHKCSYFOUOKSO-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO C[N@H+]1CCCNC[C@@H]1CC1CC1 108287281 573736789 /nfs/dbraw/zinc/73/67/89/573736789.db2.gz XAHKCSYFOUOKSO-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO CC[C@@](C)([NH3+])CN(C)CCC1CC1 308430167 573736805 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1.632 10 0 ADAEMO CC(C)[C@@H]1CCCC[N@H+]1[C@@H](C)CN 108297336 573740990 /nfs/dbraw/zinc/74/09/90/573740990.db2.gz COYLSTSWEMVQMA-QWRGUYRKSA-N 1 1 184.327 1.844 10 0 ADAEMO Cc1ccc([C@H]2COC[C@@H](C)[NH2+]2)o1 108293721 573739737 /nfs/dbraw/zinc/73/97/37/573739737.db2.gz XNWRXQPKYLNPHS-VXNVDRBHSA-N 1 1 181.235 1.637 10 0 ADAEMO CC(C)[C@@H]1C[NH2+]CC2(CCCC2)N1 108294906 573739811 /nfs/dbraw/zinc/73/98/11/573739811.db2.gz WXALXDUNLXFLRT-JTQLQIEISA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H]1CC[N@H+](C2CCC(O)CC2)C1 108296023 573739921 /nfs/dbraw/zinc/73/99/21/573739921.db2.gz PYXQDFZJYIHAIQ-WHXUTIOJSA-N 1 1 183.295 1.632 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1CC1(O)CC1 258103130 573740000 /nfs/dbraw/zinc/74/00/00/573740000.db2.gz SDEFRFFEBLUTEV-SNVBAGLBSA-N 1 1 183.295 1.776 10 0 ADAEMO Cc1nc(C[NH3+])[nH]c1C1CC1 258419928 573740064 /nfs/dbraw/zinc/74/00/64/573740064.db2.gz BVFPUSQRZQFRGC-UHFFFAOYSA-N 1 1 151.213 1.054 10 0 ADAEMO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@H](O)C2)C1 108296048 573740093 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CN1CCCC[C@H]1c1coc(C[NH3+])n1 258121744 573761640 /nfs/dbraw/zinc/76/16/40/573761640.db2.gz PMSIYYBRUZDUBO-VIFPVBQESA-N 1 1 195.266 1.290 10 0 ADAEMO Cc1nc2c([nH]1)CCC[C@H]2CC[NH3+] 76089403 573761641 /nfs/dbraw/zinc/76/16/41/573761641.db2.gz SRSTXNRUHQSESV-QMMMGPOBSA-N 1 1 179.267 1.487 10 0 ADAEMO Cc1nc2c([nH]1)[C@H](CC[NH3+])CCC2 76089403 573761644 /nfs/dbraw/zinc/76/16/44/573761644.db2.gz SRSTXNRUHQSESV-QMMMGPOBSA-N 1 1 179.267 1.487 10 0 ADAEMO CN[C@H]1C[N@H+](C(C)C)C(C)(C)C1 259184635 573761717 /nfs/dbraw/zinc/76/17/17/573761717.db2.gz BIFDESUXLXCWDG-SECBINFHSA-N 1 1 170.300 1.467 10 0 ADAEMO CN[C@H]1C[N@@H+](C(C)C)C(C)(C)C1 259184635 573761720 /nfs/dbraw/zinc/76/17/20/573761720.db2.gz BIFDESUXLXCWDG-SECBINFHSA-N 1 1 170.300 1.467 10 0 ADAEMO Cc1nc2c(n1C)C[C@H](CC[NH3+])CC2 76089748 573761729 /nfs/dbraw/zinc/76/17/29/573761729.db2.gz VMNNTDDPTBWLNB-VIFPVBQESA-N 1 1 193.294 1.182 10 0 ADAEMO CCC[N@H+]1CCC(C)(C)[C@H](N)C1 258919142 573761740 /nfs/dbraw/zinc/76/17/40/573761740.db2.gz WJCJFCNDUPYDGC-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO C1=CC[C@H](N2CC[NH2+]CC2)CC1 84068053 573761784 /nfs/dbraw/zinc/76/17/84/573761784.db2.gz RPHDDBADOZEEAB-JTQLQIEISA-N 1 1 166.268 1.000 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H]2CC=CCC2)CCN1 84080678 573761797 /nfs/dbraw/zinc/76/17/97/573761797.db2.gz MRPKHVRCWLFZKM-MNOVXSKESA-N 1 1 180.295 1.389 10 0 ADAEMO Cc1nc2c(n1C)CC[C@H]([C@H](C)[NH3+])C2 76089672 573761803 /nfs/dbraw/zinc/76/18/03/573761803.db2.gz WCXCHHLOLGNDAC-CBAPKCEASA-N 1 1 193.294 1.181 10 0 ADAEMO C[C@@H]1CN([C@H]2CC=CCC2)CC[NH2+]1 84080678 573761804 /nfs/dbraw/zinc/76/18/04/573761804.db2.gz MRPKHVRCWLFZKM-MNOVXSKESA-N 1 1 180.295 1.389 10 0 ADAEMO C[NH2+][C@@H]1CC[N@@H+]([C@H]2CC=CCC2)C1 84080295 573763567 /nfs/dbraw/zinc/76/35/67/573763567.db2.gz QRWVHYQGZNHLLP-MNOVXSKESA-N 1 1 180.295 1.389 10 0 ADAEMO CCCC[N@H+]1C[C@H](N)CC1(C)C 258919129 573761914 /nfs/dbraw/zinc/76/19/14/573761914.db2.gz WIPPURAQFRICCB-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO Cc1c[nH+]c(C(F)F)c(N)c1N 238508202 573761918 /nfs/dbraw/zinc/76/19/18/573761918.db2.gz JUNAZEVJTVJWNA-UHFFFAOYSA-N 1 1 173.166 1.492 10 0 ADAEMO CC1(C)C[N@H+]([C@H]2CC=CCC2)CCN1 84080660 573761967 /nfs/dbraw/zinc/76/19/67/573761967.db2.gz SFEAVGAMQCPFSU-NSHDSACASA-N 1 1 194.322 1.779 10 0 ADAEMO C[C@H]1C[N@H+]([C@H]2CC=CCC2)CCCN1 84080693 573761977 /nfs/dbraw/zinc/76/19/77/573761977.db2.gz RIWOEFSLJNHVRR-RYUDHWBXSA-N 1 1 194.322 1.779 10 0 ADAEMO C[C@H]1CN[C@H](C)C[N@@H+]1[C@H]1CC=CCC1 84080665 573762117 /nfs/dbraw/zinc/76/21/17/573762117.db2.gz KMLJNEHKEMIIER-WOPDTQHZSA-N 1 1 194.322 1.777 10 0 ADAEMO CC(C)(C)[N@H+]1CCc2c(N)n[nH]c2C1 257869025 573762193 /nfs/dbraw/zinc/76/21/93/573762193.db2.gz SPWJPUNCBFWGAX-UHFFFAOYSA-N 1 1 194.282 1.149 10 0 ADAEMO Cc1nc2c(n1C)C[C@@H]([C@@H](C)[NH3+])CC2 76089681 573762251 /nfs/dbraw/zinc/76/22/51/573762251.db2.gz NIVDHXIKYJYONA-APPZFPTMSA-N 1 1 193.294 1.181 10 0 ADAEMO Cc1cc([C@@H]([NH3+])C(F)F)ccc1O 238507434 573762252 /nfs/dbraw/zinc/76/22/52/573762252.db2.gz FUFOTXQPDXWCRJ-MRVPVSSYSA-N 1 1 187.189 1.966 10 0 ADAEMO Cc1nc2c([nH]1)C[C@H]([C@@H](C)[NH3+])CC2 76089366 573762271 /nfs/dbraw/zinc/76/22/71/573762271.db2.gz MDAOWLGZAFDMRH-HTRCEHHLSA-N 1 1 179.267 1.170 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@@H]([C@@H](C)[NH3+])C2 76089366 573762280 /nfs/dbraw/zinc/76/22/80/573762280.db2.gz MDAOWLGZAFDMRH-HTRCEHHLSA-N 1 1 179.267 1.170 10 0 ADAEMO C[C@@H]([NH3+])n1ccc2cnccc21 257868849 573762286 /nfs/dbraw/zinc/76/22/86/573762286.db2.gz ABERYCAHTDYMGE-ZETCQYMHSA-N 1 1 161.208 1.514 10 0 ADAEMO C1=CC[C@@H](N2CC[NH2+]CC2)CC1 84068052 573762335 /nfs/dbraw/zinc/76/23/35/573762335.db2.gz RPHDDBADOZEEAB-SNVBAGLBSA-N 1 1 166.268 1.000 10 0 ADAEMO C[N@H+]1CCC[C@H](c2csc(N)n2)C1 258123732 573762408 /nfs/dbraw/zinc/76/24/08/573762408.db2.gz PSZFVXUWRITXJW-ZETCQYMHSA-N 1 1 197.307 1.535 10 0 ADAEMO C[NH2+][C@@H](CN)c1cc(C)ccc1OC 258919155 573762415 /nfs/dbraw/zinc/76/24/15/573762415.db2.gz WJGRWAOGFRVJIT-JTQLQIEISA-N 1 1 194.278 1.223 10 0 ADAEMO CC1(C)C[C@H](O)C[N@H+](C(C)(C)C)C1 238090968 573762425 /nfs/dbraw/zinc/76/24/25/573762425.db2.gz YXZMCKDVBWHHJD-VIFPVBQESA-N 1 1 185.311 1.878 10 0 ADAEMO Cc1nc2c(n1C)CC[C@H]([C@@H](C)[NH3+])C2 76089668 573762465 /nfs/dbraw/zinc/76/24/65/573762465.db2.gz WCXCHHLOLGNDAC-APPZFPTMSA-N 1 1 193.294 1.181 10 0 ADAEMO Cc1nc2c(n1C)C[C@@H](CC[NH3+])CC2 76089750 573762572 /nfs/dbraw/zinc/76/25/72/573762572.db2.gz VMNNTDDPTBWLNB-SECBINFHSA-N 1 1 193.294 1.182 10 0 ADAEMO CC[N@H+]1CC[C@@H]([C@]2(CC)CCC[NH2+]2)C1 258123297 573762590 /nfs/dbraw/zinc/76/25/90/573762590.db2.gz IOPFOUSCLZULSS-NEPJUHHUSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(=O)CC[N@H+](C)Cc1ccc[nH]1 258930330 573762754 /nfs/dbraw/zinc/76/27/54/573762754.db2.gz OUVMZGWIBGMQSI-UHFFFAOYSA-N 1 1 180.251 1.426 10 0 ADAEMO C[N@H+]1C[C@H](N)C[C@@H]1C1CCCC1 108332675 573762792 /nfs/dbraw/zinc/76/27/92/573762792.db2.gz ZDSYDNBFDMTEEI-NXEZZACHSA-N 1 1 168.284 1.208 10 0 ADAEMO Cc1n[nH]c2c1[C@@H](C1CC1)[NH2+]CC2 238507335 573762925 /nfs/dbraw/zinc/76/29/25/573762925.db2.gz CYXRLEMHSABRSO-SNVBAGLBSA-N 1 1 177.251 1.315 10 0 ADAEMO Cc1nc2c([nH]1)CCC[C@@H]2[C@H](C)[NH3+] 76089352 573762930 /nfs/dbraw/zinc/76/29/30/573762930.db2.gz RKQPQMYKDODJBV-POYBYMJQSA-N 1 1 179.267 1.485 10 0 ADAEMO COC(=O)/C=C\[C@H]1CCC[N@@H+](C)C1 258123093 573762955 /nfs/dbraw/zinc/76/29/55/573762955.db2.gz IMLLIIRZEFAKDX-SSJHQANKSA-N 1 1 183.251 1.057 10 0 ADAEMO C[N@H+]1C[C@@H](N)C[C@@H]1CC1CCC1 108332674 573763021 /nfs/dbraw/zinc/76/30/21/573763021.db2.gz QHLZRJZLTAOABU-UWVGGRQHSA-N 1 1 168.284 1.208 10 0 ADAEMO CN1C[C@@H]([NH3+])C[C@@H]1CC1CCC1 108332674 573763028 /nfs/dbraw/zinc/76/30/28/573763028.db2.gz QHLZRJZLTAOABU-UWVGGRQHSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@H+]1Cc2ccc(CCON)cc2C1 258121267 573763106 /nfs/dbraw/zinc/76/31/06/573763106.db2.gz QSGXYJPFWBSPGG-UHFFFAOYSA-N 1 1 192.262 1.065 10 0 ADAEMO Cc1nc2c([nH]1)C[C@@H](CCC[NH3+])CC2 76089445 573763610 /nfs/dbraw/zinc/76/36/10/573763610.db2.gz ZGNKHPHRNHCVRP-VIFPVBQESA-N 1 1 193.294 1.562 10 0 ADAEMO C[NH2+][C@H]1CC[N@@H+]([C@H]2CC=CCC2)C1 84080296 573763167 /nfs/dbraw/zinc/76/31/67/573763167.db2.gz QRWVHYQGZNHLLP-QWRGUYRKSA-N 1 1 180.295 1.389 10 0 ADAEMO C[NH2+][C@H](CN)c1cc(C)ccc1OC 258919156 573763242 /nfs/dbraw/zinc/76/32/42/573763242.db2.gz WJGRWAOGFRVJIT-SNVBAGLBSA-N 1 1 194.278 1.223 10 0 ADAEMO Cc1ccccc1C[NH2+]C(C)(C)CN 258918841 573763420 /nfs/dbraw/zinc/76/34/20/573763420.db2.gz UHPVKUMHZIWYGN-UHFFFAOYSA-N 1 1 192.306 1.822 10 0 ADAEMO CCCC[N@H+]1C[C@@H](N)CC1(C)C 258919131 573763462 /nfs/dbraw/zinc/76/34/62/573763462.db2.gz WIPPURAQFRICCB-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[N@H+]1CCC(C)(C)[C@@H](N)C1 258919144 573763526 /nfs/dbraw/zinc/76/35/26/573763526.db2.gz WJCJFCNDUPYDGC-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CC1(C)C[N@H+](C2CC2)CC[C@H]1CO 259177903 573766937 /nfs/dbraw/zinc/76/69/37/573766937.db2.gz HFEDSYNBJLZXOV-VIFPVBQESA-N 1 1 183.295 1.489 10 0 ADAEMO CCC[N@H+]1CCC[C@H](N)C1(C)C 258931059 573764421 /nfs/dbraw/zinc/76/44/21/573764421.db2.gz XHVNQAPVGRPMJR-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CCCN1CCC[C@H]([NH3+])C1(C)C 258931059 573764428 /nfs/dbraw/zinc/76/44/28/573764428.db2.gz XHVNQAPVGRPMJR-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO Cc1nc2c([nH]1)C[C@H]([C@H](C)[NH3+])CC2 76089370 573764486 /nfs/dbraw/zinc/76/44/86/573764486.db2.gz MDAOWLGZAFDMRH-POYBYMJQSA-N 1 1 179.267 1.170 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@@H]([C@H](C)[NH3+])C2 76089370 573764492 /nfs/dbraw/zinc/76/44/92/573764492.db2.gz MDAOWLGZAFDMRH-POYBYMJQSA-N 1 1 179.267 1.170 10 0 ADAEMO CN1CCCC[C@@H]1c1coc(C[NH3+])n1 258121740 573764496 /nfs/dbraw/zinc/76/44/96/573764496.db2.gz PMSIYYBRUZDUBO-SECBINFHSA-N 1 1 195.266 1.290 10 0 ADAEMO CCC[N@H+]1CCC[C@@H](N)C1(C)C 258931056 573764507 /nfs/dbraw/zinc/76/45/07/573764507.db2.gz XHVNQAPVGRPMJR-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO Cc1nc2c(n1C)C[C@@H]([C@H](C)[NH3+])CC2 76089685 573764509 /nfs/dbraw/zinc/76/45/09/573764509.db2.gz NIVDHXIKYJYONA-CBAPKCEASA-N 1 1 193.294 1.181 10 0 ADAEMO CCCN1CCC[C@@H]([NH3+])C1(C)C 258931056 573764514 /nfs/dbraw/zinc/76/45/14/573764514.db2.gz XHVNQAPVGRPMJR-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO C[N@@H+](Cc1ccc[nH]1)C(C)(C)CO 258920918 573764672 /nfs/dbraw/zinc/76/46/72/573764672.db2.gz ULQDVPONAIAIQE-UHFFFAOYSA-N 1 1 182.267 1.217 10 0 ADAEMO CC1(C[NH2+]Cc2ncon2)CCCC1 308709641 573764692 /nfs/dbraw/zinc/76/46/92/573764692.db2.gz YAEBABPBPPEIAR-UHFFFAOYSA-N 1 1 195.266 1.740 10 0 ADAEMO Cc1c[nH+]ccc1NCc1cnc[nH]1 84081268 573764738 /nfs/dbraw/zinc/76/47/38/573764738.db2.gz DJVQSQXCKGQNJE-UHFFFAOYSA-N 1 1 188.234 1.725 10 0 ADAEMO Cc1nc2c(n1C)CC[C@@H]([C@H](C)[NH3+])C2 76089673 573764864 /nfs/dbraw/zinc/76/48/64/573764864.db2.gz WCXCHHLOLGNDAC-IONNQARKSA-N 1 1 193.294 1.181 10 0 ADAEMO CC(C)[C@@H]1C[C@H](N)C[N@H+]1C1CC1 108332687 573764957 /nfs/dbraw/zinc/76/49/57/573764957.db2.gz YJYSNKBXMCHOBS-WPRPVWTQSA-N 1 1 168.284 1.206 10 0 ADAEMO Cc1[nH]c2c([nH+]1)[C@H]([C@H](C)O)CCC2 76089384 573765345 /nfs/dbraw/zinc/76/53/45/573765345.db2.gz SXNFTFKVWWOVFF-XPUUQOCRSA-N 1 1 180.251 1.519 10 0 ADAEMO COc1c(C)c(C)cc(C)c1C(N)[NH3+] 259566280 573765346 /nfs/dbraw/zinc/76/53/46/573765346.db2.gz YHAWHQSONPWFDO-UHFFFAOYSA-N 1 1 194.278 1.536 10 0 ADAEMO Cc1[nH]c2c([nH+]1)CCC[C@H]2[C@H](C)O 76089384 573765357 /nfs/dbraw/zinc/76/53/57/573765357.db2.gz SXNFTFKVWWOVFF-XPUUQOCRSA-N 1 1 180.251 1.519 10 0 ADAEMO Cc1nc2c(n1C)CC[C@@H](CC[NH3+])C2 76089763 573765381 /nfs/dbraw/zinc/76/53/81/573765381.db2.gz SPGTXOUZDGSOSS-VIFPVBQESA-N 1 1 193.294 1.182 10 0 ADAEMO Cc1nc2c([nH]1)CCC[C@H]2CCC[NH3+] 76089443 573765449 /nfs/dbraw/zinc/76/54/49/573765449.db2.gz HZZBEDSYKFAXSL-VIFPVBQESA-N 1 1 193.294 1.877 10 0 ADAEMO Cc1nc2c([nH]1)[C@H](CCC[NH3+])CCC2 76089443 573765452 /nfs/dbraw/zinc/76/54/52/573765452.db2.gz HZZBEDSYKFAXSL-VIFPVBQESA-N 1 1 193.294 1.877 10 0 ADAEMO Cc1nc2c(n1C)C[C@H]([C@@H](C)[NH3+])CC2 76089676 573765461 /nfs/dbraw/zinc/76/54/61/573765461.db2.gz NIVDHXIKYJYONA-VXNVDRBHSA-N 1 1 193.294 1.181 10 0 ADAEMO CC1(C)C[N@H+]([C@@H]2CC=CCC2)CCN1 84080661 573765587 /nfs/dbraw/zinc/76/55/87/573765587.db2.gz SFEAVGAMQCPFSU-LLVKDONJSA-N 1 1 194.322 1.779 10 0 ADAEMO Cc1nc2c([nH]1)C[C@@H]([C@H](C)[NH3+])CC2 76089371 573765592 /nfs/dbraw/zinc/76/55/92/573765592.db2.gz MDAOWLGZAFDMRH-XPUUQOCRSA-N 1 1 179.267 1.170 10 0 ADAEMO Cc1nc2c([nH]1)CC[C@H]([C@H](C)[NH3+])C2 76089371 573765596 /nfs/dbraw/zinc/76/55/96/573765596.db2.gz MDAOWLGZAFDMRH-XPUUQOCRSA-N 1 1 179.267 1.170 10 0 ADAEMO N[C@H]1CC[N@H+]([C@@H]2CC=CCC2)C1 84080297 573765648 /nfs/dbraw/zinc/76/56/48/573765648.db2.gz QTYKJLFCAZWVEX-VHSXEESVSA-N 1 1 166.268 1.128 10 0 ADAEMO C1=CC[C@@H](N2CCC[NH2+]CC2)CC1 84080715 573765791 /nfs/dbraw/zinc/76/57/91/573765791.db2.gz VXFGGHBBWVRENI-LLVKDONJSA-N 1 1 180.295 1.390 10 0 ADAEMO CC[N@H+]1CC[C@H]([C@]2(CC)CCC[NH2+]2)C1 258123301 573765798 /nfs/dbraw/zinc/76/57/98/573765798.db2.gz IOPFOUSCLZULSS-RYUDHWBXSA-N 1 1 196.338 1.860 10 0 ADAEMO COc1cccc(CC[N@@H+](C)CO)c1 258928642 573765841 /nfs/dbraw/zinc/76/58/41/573765841.db2.gz OOARROHPUUVXCR-UHFFFAOYSA-N 1 1 195.262 1.119 10 0 ADAEMO CC(C)[N@H+]1CCC=C(CCO)C1 258122752 573765914 /nfs/dbraw/zinc/76/59/14/573765914.db2.gz PFNKFBDJFAEFAL-UHFFFAOYSA-N 1 1 169.268 1.409 10 0 ADAEMO CC(C)[C@H](CO)[N@@H+](C)C1CCC1 258928127 573766908 /nfs/dbraw/zinc/76/69/08/573766908.db2.gz VALABDMPVSCRTE-JTQLQIEISA-N 1 1 171.284 1.488 10 0 ADAEMO CC[N@H+]1CC[C@@H]([C@@]2(CC)CCC[NH2+]2)C1 258123302 573765997 /nfs/dbraw/zinc/76/59/97/573765997.db2.gz IOPFOUSCLZULSS-VXGBXAGGSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)(C)C(=[NH2+])NCc1cnc[nH]1 84081541 573766076 /nfs/dbraw/zinc/76/60/76/573766076.db2.gz IMFHOTBAYALBKO-UHFFFAOYSA-N 1 1 180.255 1.523 10 0 ADAEMO O[C@@H]1CCc2c([nH+]cn2C2CC2)C1 76094010 573766098 /nfs/dbraw/zinc/76/60/98/573766098.db2.gz OQRWOTOZDNTAHM-MRVPVSSYSA-N 1 1 178.235 1.068 10 0 ADAEMO CC1(C)C[N@H+](C2CC2)CC[C@@H]1CO 259177900 573766106 /nfs/dbraw/zinc/76/61/06/573766106.db2.gz HFEDSYNBJLZXOV-SECBINFHSA-N 1 1 183.295 1.489 10 0 ADAEMO OC[C@@H]1CC[N@H+]2Cc3ccccc3[C@H]12 257871278 573766182 /nfs/dbraw/zinc/76/61/82/573766182.db2.gz SZAJXLFYAUYLLI-JQWIXIFHSA-N 1 1 189.258 1.556 10 0 ADAEMO CCC[N@@H+]1CCc2oc(N)nc2C1 258927780 573766220 /nfs/dbraw/zinc/76/62/20/573766220.db2.gz XGDQHKURMKFCDV-UHFFFAOYSA-N 1 1 181.239 1.025 10 0 ADAEMO CCC[N@H+]1CCc2oc(N)nc2C1 258927780 573766224 /nfs/dbraw/zinc/76/62/24/573766224.db2.gz XGDQHKURMKFCDV-UHFFFAOYSA-N 1 1 181.239 1.025 10 0 ADAEMO C[N@@H+](CCCCO)Cc1ccc[nH]1 258926454 573766437 /nfs/dbraw/zinc/76/64/37/573766437.db2.gz GQPVROPONIVCAN-UHFFFAOYSA-N 1 1 182.267 1.219 10 0 ADAEMO C[NH2+]Cc1ncc(C(F)(F)F)cn1 108340668 573766723 /nfs/dbraw/zinc/76/67/23/573766723.db2.gz YCECWCINSIYBFJ-UHFFFAOYSA-N 1 1 191.156 1.215 10 0 ADAEMO CC[N@@H+](CC(C)(C)O)CC1(C)CC1 308434747 573766831 /nfs/dbraw/zinc/76/68/31/573766831.db2.gz VMOJXIJKJMMNDK-UHFFFAOYSA-N 1 1 185.311 1.879 10 0 ADAEMO Cc1ccccc1[C@H]1C[C@H](N)C[N@H+]1C 108340646 573769228 /nfs/dbraw/zinc/76/92/28/573769228.db2.gz OUPXEQNFEBYFHC-CMPLNLGQSA-N 1 1 190.290 1.699 10 0 ADAEMO Cc1ccccc1[C@H]1C[C@H](N)C[N@@H+]1C 108340646 573769233 /nfs/dbraw/zinc/76/92/33/573769233.db2.gz OUPXEQNFEBYFHC-CMPLNLGQSA-N 1 1 190.290 1.699 10 0 ADAEMO Cc1ccccc1[C@H]1C[C@@H](N)C[N@H+]1C 108340650 573769258 /nfs/dbraw/zinc/76/92/58/573769258.db2.gz OUPXEQNFEBYFHC-ZYHUDNBSSA-N 1 1 190.290 1.699 10 0 ADAEMO C[NH2+][C@@H]1CC[N@@H+](C(C)C)C(C)(C)C1 259565478 573769264 /nfs/dbraw/zinc/76/92/64/573769264.db2.gz YFBHYPVJPRUFLA-SNVBAGLBSA-N 1 1 184.327 1.857 10 0 ADAEMO Cc1ccccc1[C@H]1C[C@@H](N)C[N@@H+]1C 108340650 573769265 /nfs/dbraw/zinc/76/92/65/573769265.db2.gz OUPXEQNFEBYFHC-ZYHUDNBSSA-N 1 1 190.290 1.699 10 0 ADAEMO O[C@H]1CCc2c([nH+]cn2C2CC2)C1 76094008 573769289 /nfs/dbraw/zinc/76/92/89/573769289.db2.gz OQRWOTOZDNTAHM-QMMMGPOBSA-N 1 1 178.235 1.068 10 0 ADAEMO C[NH+](C)[C@@H](O)c1ccc2c(c1)CCO2 259620659 573768855 /nfs/dbraw/zinc/76/88/55/573768855.db2.gz RDZSLGHBQVSSDJ-NSHDSACASA-N 1 1 193.246 1.174 10 0 ADAEMO C[C@@H](O)C(F)(F)C[C@H]1CC[N@@H+](C)C1 257872493 573769196 /nfs/dbraw/zinc/76/91/96/573769196.db2.gz TYVXARPMQZPMLQ-HTQZYQBOSA-N 1 1 193.237 1.344 10 0 ADAEMO CC(=O)[C@](C)([NH3+])[C@@H](O)c1ccccc1 238097433 573769049 /nfs/dbraw/zinc/76/90/49/573769049.db2.gz SUPILDJNIZEMLA-QWRGUYRKSA-N 1 1 193.246 1.026 10 0 ADAEMO Cc1ccccc1CC[NH2+]CN 258933934 573769102 /nfs/dbraw/zinc/76/91/02/573769102.db2.gz SCJTZLCVHLIZGO-UHFFFAOYSA-N 1 1 164.252 1.043 10 0 ADAEMO Cc1c[nH+]c(C(F)F)cc1N 238509771 573769138 /nfs/dbraw/zinc/76/91/38/573769138.db2.gz VLDPEBJMUNNLNH-UHFFFAOYSA-N 1 1 158.151 1.910 10 0 ADAEMO C[NH+](C)[C@H](O)c1ccc2c(c1)CCO2 259620652 573769157 /nfs/dbraw/zinc/76/91/57/573769157.db2.gz RDZSLGHBQVSSDJ-LLVKDONJSA-N 1 1 193.246 1.174 10 0 ADAEMO C[C@]12CCCC[C@@H]1[NH+]=C(N)O2 238509683 573769191 /nfs/dbraw/zinc/76/91/91/573769191.db2.gz BASJBBCJZPLDSH-XPUUQOCRSA-N 1 1 154.213 1.033 10 0 ADAEMO CN(Cc1cc[nH]c1)CC1(C[NH3+])CC1 258933020 573770127 /nfs/dbraw/zinc/77/01/27/573770127.db2.gz ORPGADQNYNWYFF-UHFFFAOYSA-N 1 1 193.294 1.185 10 0 ADAEMO C[NH2+][C@H]1CC[N@@H+](C(C)C)C(C)(C)C1 259565477 573770168 /nfs/dbraw/zinc/77/01/68/573770168.db2.gz YFBHYPVJPRUFLA-JTQLQIEISA-N 1 1 184.327 1.857 10 0 ADAEMO C[N@H+]1CC[C@@H](CC2(O)CCC2)C1 258124608 573770043 /nfs/dbraw/zinc/77/00/43/573770043.db2.gz UIDYBLGRSSWDAR-VIFPVBQESA-N 1 1 169.268 1.243 10 0 ADAEMO Cc1cc([C@@H]2CC[C@H]([NH3+])C2)cnc1N 238511874 573771581 /nfs/dbraw/zinc/77/15/81/573771581.db2.gz XGKFWVSOQBTBHI-SCZZXKLOSA-N 1 1 191.278 1.567 10 0 ADAEMO CNC1(C[NH2+]CC2CC2)CCCCC1 308711109 573771130 /nfs/dbraw/zinc/77/11/30/573771130.db2.gz YTJVIUMPIONTOC-UHFFFAOYSA-N 1 1 196.338 1.908 10 0 ADAEMO [NH3+]Cc1nnc(-c2ccsc2)s1 84099668 573771162 /nfs/dbraw/zinc/77/11/62/573771162.db2.gz IZGWHKRCOKTXID-UHFFFAOYSA-N 1 1 197.288 1.725 10 0 ADAEMO C[C@]12CCCC[C@H]1[NH+]=C(N)O2 238511657 573771801 /nfs/dbraw/zinc/77/18/01/573771801.db2.gz BASJBBCJZPLDSH-SVRRBLITSA-N 1 1 154.213 1.033 10 0 ADAEMO Cc1nc(C(C)(C)C)oc1C(=O)C[NH3+] 257874346 573771469 /nfs/dbraw/zinc/77/14/69/573771469.db2.gz UERILVODJOEPSG-UHFFFAOYSA-N 1 1 196.250 1.422 10 0 ADAEMO C[N@H+]1CC[C@H](c2ccc(F)c(N)c2)C1 257874431 573771579 /nfs/dbraw/zinc/77/15/79/573771579.db2.gz UGEXDQQCDIJMBE-VIFPVBQESA-N 1 1 194.253 1.827 10 0 ADAEMO CO[C@H]1C[N@H+](C2CCCCC2)C[C@H]1O 686250706 573772244 /nfs/dbraw/zinc/77/22/44/573772244.db2.gz CFPCZSCSBAQDFS-MNOVXSKESA-N 1 1 199.294 1.011 10 0 ADAEMO C1CCC2(CC1)CNC[C@H]1CCC[N@@H+]12 238101381 573771718 /nfs/dbraw/zinc/77/17/18/573771718.db2.gz KHMZHOVKKDTORF-LLVKDONJSA-N 1 1 194.322 1.757 10 0 ADAEMO CC[N@@H+](C)CCc1ccc(C)cn1 308434941 573771734 /nfs/dbraw/zinc/77/17/34/573771734.db2.gz VSBVWILKSFTUME-UHFFFAOYSA-N 1 1 178.279 1.884 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@H]([C@@H](F)CO)C1 257874367 573771900 /nfs/dbraw/zinc/77/19/00/573771900.db2.gz UFAZRTUMNIXSLU-IUCAKERBSA-N 1 1 189.274 1.437 10 0 ADAEMO C[NH2+][C@H](c1ccccc1F)C1(N)CC1 259179185 573772083 /nfs/dbraw/zinc/77/20/83/573772083.db2.gz JQUIRNMMFYQHMY-SNVBAGLBSA-N 1 1 194.253 1.578 10 0 ADAEMO Cc1ccc([C@@H](N)C2C[NH2+]C2)c(C)c1 259180040 573772281 /nfs/dbraw/zinc/77/22/81/573772281.db2.gz FGBJEODVBQQKGX-LBPRGKRZSA-N 1 1 190.290 1.523 10 0 ADAEMO CC(C)(CN)[N@@H+]1CC[C@@H](C(F)F)C1 687971901 573774017 /nfs/dbraw/zinc/77/40/17/573774017.db2.gz DWTOQMOFKHTSCZ-SSDOTTSWSA-N 1 1 192.253 1.311 10 0 ADAEMO CC(C)(CN)[N@H+]1CC[C@@H](C(F)F)C1 687971901 573774019 /nfs/dbraw/zinc/77/40/19/573774019.db2.gz DWTOQMOFKHTSCZ-SSDOTTSWSA-N 1 1 192.253 1.311 10 0 ADAEMO CC(C)[C@H]1CCC[N@H+]1CC1(N)CC1 84126856 573774122 /nfs/dbraw/zinc/77/41/22/573774122.db2.gz LPPGZJKZLLLZCR-SNVBAGLBSA-N 1 1 182.311 1.598 10 0 ADAEMO [NH3+]Cc1nnc([C@H]2CCCCO2)s1 84116900 573774067 /nfs/dbraw/zinc/77/40/67/573774067.db2.gz BDGBDTMFUJVDAI-ZCFIWIBFSA-N 1 1 199.279 1.238 10 0 ADAEMO C[C@H]([NH3+])Cc1cc(C2CC2)[nH]n1 84122261 573775824 /nfs/dbraw/zinc/77/58/24/573775824.db2.gz HZSOTXIDVDITMJ-LURJTMIESA-N 1 1 165.240 1.177 10 0 ADAEMO CC(C)[C@@H]1CCC[N@@H+]1C1CNC1 84126094 573775922 /nfs/dbraw/zinc/77/59/22/573775922.db2.gz GWKAPKFFUMOXDI-JTQLQIEISA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)[C@@H]1CCC[N@H+]1C1CNC1 84126094 573775927 /nfs/dbraw/zinc/77/59/27/573775927.db2.gz GWKAPKFFUMOXDI-JTQLQIEISA-N 1 1 168.284 1.079 10 0 ADAEMO Cc1sc(CN)nc1[C@@H]1CCC[NH2+]1 258127590 573776120 /nfs/dbraw/zinc/77/61/20/573776120.db2.gz PZWNYFSDSKVYEE-ZETCQYMHSA-N 1 1 197.307 1.335 10 0 ADAEMO CC(C)Cc1[nH+]cc2n1CC[C@@H](O)C2 258423798 573776043 /nfs/dbraw/zinc/77/60/43/573776043.db2.gz VZRKEQNNIXJOTL-SNVBAGLBSA-N 1 1 194.278 1.389 10 0 ADAEMO CC[C@H]([NH3+])c1nnc(C(F)F)s1 84117858 573776180 /nfs/dbraw/zinc/77/61/80/573776180.db2.gz SPWLAGODZNBHNU-VKHMYHEASA-N 1 1 193.222 1.886 10 0 ADAEMO Cc1c(C=O)[nH+]cc(C(F)F)c1N 238513256 573777405 /nfs/dbraw/zinc/77/74/05/573777405.db2.gz OLISWGSTASDBQV-UHFFFAOYSA-N 1 1 186.161 1.722 10 0 ADAEMO CC(C)[C@H]1CCC[N@H+]1[C@@H]1CCCNC1 84126092 573777446 /nfs/dbraw/zinc/77/74/46/573777446.db2.gz RXYUZJGOUXZXHW-VXGBXAGGSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1C[C@H](N)C[N@@H+](C[C@]2(C)C[C@H]2C)C1 714745396 573777123 /nfs/dbraw/zinc/77/71/23/573777123.db2.gz OMJUJWUKQZVNOI-WYUUTHIRSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])CN(C[C@]2(C)C[C@H]2C)C1 714745396 573777128 /nfs/dbraw/zinc/77/71/28/573777128.db2.gz OMJUJWUKQZVNOI-WYUUTHIRSA-N 1 1 196.338 1.702 10 0 ADAEMO Cc1ccc(F)c([C@@H]2COCC[NH2+]2)c1 76136547 573777145 /nfs/dbraw/zinc/77/71/45/573777145.db2.gz HGQLVQFGYBHIIH-NSHDSACASA-N 1 1 195.237 1.795 10 0 ADAEMO [NH3+]Cc1nnc(-c2ccoc2)s1 84117049 573777180 /nfs/dbraw/zinc/77/71/80/573777180.db2.gz PHGFFZWJCMJCPR-UHFFFAOYSA-N 1 1 181.220 1.257 10 0 ADAEMO [NH3+]Cc1nnc([C@@H]2CCCCO2)s1 84116898 573777296 /nfs/dbraw/zinc/77/72/96/573777296.db2.gz BDGBDTMFUJVDAI-LURJTMIESA-N 1 1 199.279 1.238 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1c1nc(=O)[nH]o1 257875488 573777323 /nfs/dbraw/zinc/77/73/23/573777323.db2.gz ATRPLBPOTYWNJS-ZETCQYMHSA-N 1 1 197.238 1.322 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@H]2CCCO2)s1 84117309 573777357 /nfs/dbraw/zinc/77/73/57/573777357.db2.gz MTNNAMNFDVLOCZ-NTSWFWBYSA-N 1 1 199.279 1.409 10 0 ADAEMO Cc1cc(F)c(F)cc1C(=O)C[NH3+] 108370307 573777482 /nfs/dbraw/zinc/77/74/82/573777482.db2.gz VOJRLXPPLKODCF-UHFFFAOYSA-N 1 1 185.173 1.415 10 0 ADAEMO CC(C)[C@@H]1CCC[N@H+]1CC1(N)CC1 84126854 573777594 /nfs/dbraw/zinc/77/75/94/573777594.db2.gz LPPGZJKZLLLZCR-JTQLQIEISA-N 1 1 182.311 1.598 10 0 ADAEMO [NH3+]Cc1nnc(CC2CCCC2)s1 84117071 573777610 /nfs/dbraw/zinc/77/76/10/573777610.db2.gz CKFNXOHFIYOUQY-UHFFFAOYSA-N 1 1 197.307 1.730 10 0 ADAEMO C[C@@H]1C[C@@H]1c1nnc(C[NH3+])s1 84116923 573777676 /nfs/dbraw/zinc/77/76/76/573777676.db2.gz ITSCQTACZWJKHR-UHNVWZDZSA-N 1 1 169.253 1.120 10 0 ADAEMO COC(=O)[C@@H]([NH3+])C[C@@H](F)C(C)(C)C 257877199 573777694 /nfs/dbraw/zinc/77/76/94/573777694.db2.gz USENUCYIJNZKAZ-NKWVEPMBSA-N 1 1 191.246 1.261 10 0 ADAEMO [NH3+]Cc1ccc(O)c(Cl)c1F 108368875 573777709 /nfs/dbraw/zinc/77/77/09/573777709.db2.gz SROOXWIXYTWNQO-UHFFFAOYSA-N 1 1 175.590 1.643 10 0 ADAEMO O=Cc1cnc([C@@H]2CCCC[NH2+]2)o1 258129208 573778259 /nfs/dbraw/zinc/77/82/59/573778259.db2.gz PEQILOWYPQSZSR-QMMMGPOBSA-N 1 1 180.207 1.302 10 0 ADAEMO CC(C)[C@H]1CCC[N@H+]1[C@@H](C)CN 84125305 573777736 /nfs/dbraw/zinc/77/77/36/573777736.db2.gz CYFHYDLMYYGQRO-VHSXEESVSA-N 1 1 170.300 1.454 10 0 ADAEMO CSCc1nnc([C@@H](C)[NH3+])s1 84117350 573777750 /nfs/dbraw/zinc/77/77/50/573777750.db2.gz JXBBOAISPCUCTD-SCSAIBSYSA-N 1 1 189.309 1.421 10 0 ADAEMO Cc1ccc(-c2nnc(C[NH3+])s2)o1 84117074 573777794 /nfs/dbraw/zinc/77/77/94/573777794.db2.gz AKUWZRHYORVODI-UHFFFAOYSA-N 1 1 195.247 1.565 10 0 ADAEMO Cc1cccc([C@@H]2COCC[NH2+]2)c1F 76136545 573777795 /nfs/dbraw/zinc/77/77/95/573777795.db2.gz QTBGFVSWLHCBIU-JTQLQIEISA-N 1 1 195.237 1.795 10 0 ADAEMO Cc1[nH]c(C(C)C)nc1[C@H]1CC[NH2+]C1 257875519 573777798 /nfs/dbraw/zinc/77/77/98/573777798.db2.gz UMHDTXXEZOGDLG-VIFPVBQESA-N 1 1 193.294 1.918 10 0 ADAEMO CC(C)[C@@H]1CCC[N@H+]1CC(N)=S 84126035 573777812 /nfs/dbraw/zinc/77/78/12/573777812.db2.gz WDBUHIQLRQXPHQ-QMMMGPOBSA-N 1 1 186.324 1.393 10 0 ADAEMO CC(C)C1=CC[N@@H+](CCO)CC1 238108903 573778266 /nfs/dbraw/zinc/77/82/66/573778266.db2.gz LOQCKGNVHTVLNZ-UHFFFAOYSA-N 1 1 169.268 1.267 10 0 ADAEMO [NH3+]Cc1nnc(CC(F)(F)F)s1 84116914 573777931 /nfs/dbraw/zinc/77/79/31/573777931.db2.gz PWKYOISVZHVFTC-UHFFFAOYSA-N 1 1 197.185 1.102 10 0 ADAEMO C[C@@H]1C[C@H]1c1nnc(C[NH3+])s1 84116926 573777940 /nfs/dbraw/zinc/77/79/40/573777940.db2.gz ITSCQTACZWJKHR-RFZPGFLSSA-N 1 1 169.253 1.120 10 0 ADAEMO C[N@H+]1CC[C@@](CO)(CC2CCCC2)C1 258935495 573778188 /nfs/dbraw/zinc/77/81/88/573778188.db2.gz XTXGTQSXNASNJB-GFCCVEGCSA-N 1 1 197.322 1.881 10 0 ADAEMO CC(=O)c1cc(C[NH+](C)C)co1 108367532 573779188 /nfs/dbraw/zinc/77/91/88/573779188.db2.gz JPKPGDBMWLPWOS-UHFFFAOYSA-N 1 1 167.208 1.544 10 0 ADAEMO CCC[N@H+]1CCN[C@@H](CC)C1 79249051 573779212 /nfs/dbraw/zinc/77/92/12/573779212.db2.gz XOBRBIWALRVFHB-VIFPVBQESA-N 1 1 156.273 1.080 10 0 ADAEMO CCCN1CC[NH2+][C@@H](CC)C1 79249051 573779218 /nfs/dbraw/zinc/77/92/18/573779218.db2.gz XOBRBIWALRVFHB-VIFPVBQESA-N 1 1 156.273 1.080 10 0 ADAEMO Cc1ccc([C@@H](C[NH3+])CN(C)C)o1 258118870 573779291 /nfs/dbraw/zinc/77/92/91/573779291.db2.gz LFHBQQPEZAEQJH-VIFPVBQESA-N 1 1 182.267 1.192 10 0 ADAEMO Cc1ccc(N)c([C@@H]2COCC[NH2+]2)c1 76136625 573779507 /nfs/dbraw/zinc/77/95/07/573779507.db2.gz PVBVMDVVOJROQM-NSHDSACASA-N 1 1 192.262 1.238 10 0 ADAEMO Cc1[nH]c(C(C)C)nc1[C@@H]1CC[NH2+]C1 257875515 573779386 /nfs/dbraw/zinc/77/93/86/573779386.db2.gz UMHDTXXEZOGDLG-SECBINFHSA-N 1 1 193.294 1.918 10 0 ADAEMO COCc1[nH+]cc(N)n1C(C)C 257875799 573779793 /nfs/dbraw/zinc/77/97/93/573779793.db2.gz JBHCYXIEBBTGDP-UHFFFAOYSA-N 1 1 169.228 1.193 10 0 ADAEMO Cc1c(F)cc(F)cc1C(=O)C[NH3+] 108370303 573779554 /nfs/dbraw/zinc/77/95/54/573779554.db2.gz XWLYCHDBOVHTLO-UHFFFAOYSA-N 1 1 185.173 1.415 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1C/C=C\CO 258118435 573779565 /nfs/dbraw/zinc/77/95/65/573779565.db2.gz IFJTYZITHDZZLA-XOULXFPDSA-N 1 1 169.268 1.409 10 0 ADAEMO CC(=O)C[N@H+]1CC[C@@H]2CC[C@@H]21 238108878 573779569 /nfs/dbraw/zinc/77/95/69/573779569.db2.gz XNKZUQDGBFINJW-IUCAKERBSA-N 1 1 153.225 1.060 10 0 ADAEMO O[C@H]1CCc2[nH]c(C3CC3)[nH+]c2C1 257877046 573779649 /nfs/dbraw/zinc/77/96/49/573779649.db2.gz FFFNLIMBJPOEJI-ZETCQYMHSA-N 1 1 178.235 1.137 10 0 ADAEMO O[C@H]1CCc2[nH+]c(C3CC3)[nH]c2C1 257877046 573779653 /nfs/dbraw/zinc/77/96/53/573779653.db2.gz FFFNLIMBJPOEJI-ZETCQYMHSA-N 1 1 178.235 1.137 10 0 ADAEMO Cc1ccc(F)c([C@H]2COCC[NH2+]2)c1 76136548 573779672 /nfs/dbraw/zinc/77/96/72/573779672.db2.gz HGQLVQFGYBHIIH-LLVKDONJSA-N 1 1 195.237 1.795 10 0 ADAEMO Cc1ccc([C@H](C[NH3+])CN(C)C)o1 258118865 573779860 /nfs/dbraw/zinc/77/98/60/573779860.db2.gz LFHBQQPEZAEQJH-SECBINFHSA-N 1 1 182.267 1.192 10 0 ADAEMO CC[C@H](C[NH2+][C@H]1CCOC1=O)C(C)C 308733370 573779928 /nfs/dbraw/zinc/77/99/28/573779928.db2.gz KMECRAKLPBNACR-ZJUUUORDSA-N 1 1 199.294 1.574 10 0 ADAEMO C[C@H]1C[C@]1(C)C[N@@H+]1C[C@@H](N)C[C@@H](C)C1 714745392 573779974 /nfs/dbraw/zinc/77/99/74/573779974.db2.gz OMJUJWUKQZVNOI-NOOOWODRSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@H]1C[C@]1(C)CN1C[C@@H]([NH3+])C[C@@H](C)C1 714745392 573779978 /nfs/dbraw/zinc/77/99/78/573779978.db2.gz OMJUJWUKQZVNOI-NOOOWODRSA-N 1 1 196.338 1.702 10 0 ADAEMO CN(C)Cc1c(F)cccc1C[NH3+] 108369819 573779987 /nfs/dbraw/zinc/77/99/87/573779987.db2.gz DGDJEABLFJFLMA-UHFFFAOYSA-N 1 1 182.242 1.346 10 0 ADAEMO C[C@H](c1cccc(N)c1)[N@@H+](C)CCO 40908261 573780038 /nfs/dbraw/zinc/78/00/38/573780038.db2.gz ZMRXBXAGOIRWMY-SECBINFHSA-N 1 1 194.278 1.254 10 0 ADAEMO CC1=C[N@H+]2CCC(=O)C[C@@H]2C1 100231100 573780394 /nfs/dbraw/zinc/78/03/94/573780394.db2.gz MPFCZXYWVJHPEI-QMMMGPOBSA-N 1 1 151.209 1.327 10 0 ADAEMO CC[C@@H](C[NH2+][C@@H]1CCOC1=O)C(C)C 308733367 573780544 /nfs/dbraw/zinc/78/05/44/573780544.db2.gz KMECRAKLPBNACR-VHSXEESVSA-N 1 1 199.294 1.574 10 0 ADAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)CCO 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/nfs/dbraw/zinc/80/57/76/573805776.db2.gz SHLMUNPAYWWYDK-UHFFFAOYSA-N 1 1 143.230 1.058 10 0 ADAEMO CCC(CC)[N@H+]1CCC[C@H](O)C1 87171726 573805727 /nfs/dbraw/zinc/80/57/27/573805727.db2.gz QMSLHRLZBRXZGY-JTQLQIEISA-N 1 1 171.284 1.632 10 0 ADAEMO CN(C1CCC1)[C@@H](C[NH3+])C1CCC1 127264334 573809112 /nfs/dbraw/zinc/80/91/12/573809112.db2.gz VKVAAICLXWLQTO-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO Cc1c(C(F)F)cc[nH+]c1N 238529662 573809102 /nfs/dbraw/zinc/80/91/02/573809102.db2.gz CFTKARRODMNJEI-UHFFFAOYSA-N 1 1 158.151 1.910 10 0 ADAEMO C[N@H+](C1CCC1)[C@@H](CN)C1CCC1 127264334 573809108 /nfs/dbraw/zinc/80/91/08/573809108.db2.gz VKVAAICLXWLQTO-NSHDSACASA-N 1 1 182.311 1.598 10 0 ADAEMO CCO[C@H](c1noc(C[NH3+])n1)C1CC1 131265000 573809144 /nfs/dbraw/zinc/80/91/44/573809144.db2.gz PSWJLGQBFONVFV-QMMMGPOBSA-N 1 1 197.238 1.016 10 0 ADAEMO CC[C@@H](C)[NH2+]C(C)(C)CNC 258955683 573809188 /nfs/dbraw/zinc/80/91/88/573809188.db2.gz MBQKPQPVNHTMJJ-MRVPVSSYSA-N 1 1 158.289 1.373 10 0 ADAEMO CCC(C)(C)[NH2+]CC(=O)OC(C)C 43446085 573809189 /nfs/dbraw/zinc/80/91/89/573809189.db2.gz MYAOEADPNVWSIJ-UHFFFAOYSA-N 1 1 187.283 1.716 10 0 ADAEMO C[C@H](O)c1cnc([C@@H]2CCCC[NH2+]2)o1 257879760 573808423 /nfs/dbraw/zinc/80/84/23/573808423.db2.gz AFRLBTINTAIDPG-YUMQZZPRSA-N 1 1 196.250 1.543 10 0 ADAEMO COC(=O)[C@@H]1CC[N@@H+](C)[C@H](C2CC2)C1 257882250 573808563 /nfs/dbraw/zinc/80/85/63/573808563.db2.gz VPOALRHBXGEBJH-ZJUUUORDSA-N 1 1 197.278 1.280 10 0 ADAEMO COC[NH2+]Cc1ccc2nc[nH]c2c1 259195168 573808628 /nfs/dbraw/zinc/80/86/28/573808628.db2.gz WCPXUYDJTWXNNV-UHFFFAOYSA-N 1 1 191.234 1.256 10 0 ADAEMO COc1ccc(F)cc1[C@H]([NH3+])OC 259571489 573808640 /nfs/dbraw/zinc/80/86/40/573808640.db2.gz VPGOXFIMCIBGKC-SECBINFHSA-N 1 1 185.198 1.438 10 0 ADAEMO CC[NH2+][C@@H](CCN(C)C)CC(C)C 131278962 573808646 /nfs/dbraw/zinc/80/86/46/573808646.db2.gz VNEALTBZVKJHAX-NSHDSACASA-N 1 1 186.343 1.962 10 0 ADAEMO C[NH2+]Cc1ncc([C@H]2OCC[C@H]2C)o1 125159528 573808696 /nfs/dbraw/zinc/80/86/96/573808696.db2.gz FXCCFKDXTFVYCY-XCBNKYQSSA-N 1 1 196.250 1.492 10 0 ADAEMO Cc1cc(C)cc(NC[C@H](N)C[NH3+])c1 258955775 573808699 /nfs/dbraw/zinc/80/86/99/573808699.db2.gz MCEDDZCZVBWIBV-SNVBAGLBSA-N 1 1 193.294 1.001 10 0 ADAEMO C[NH2+]Cc1ncc([C@H]2OCC[C@@H]2C)o1 125159752 573808769 /nfs/dbraw/zinc/80/87/69/573808769.db2.gz FXCCFKDXTFVYCY-XVKPBYJWSA-N 1 1 196.250 1.492 10 0 ADAEMO Cc1nc(C)c(C[C@H]2CCC[NH2+]C2)[nH]1 257879333 573808894 /nfs/dbraw/zinc/80/88/94/573808894.db2.gz VDHXNEBPCCTSKU-SNVBAGLBSA-N 1 1 193.294 1.569 10 0 ADAEMO C[N@H+](C1CCC1)[C@H](CN)C1CC1 127270075 573809018 /nfs/dbraw/zinc/80/90/18/573809018.db2.gz JSQUXTCZDAEDLO-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CN(C1CCC1)[C@H](C[NH3+])C1CC1 127270075 573809023 /nfs/dbraw/zinc/80/90/23/573809023.db2.gz JSQUXTCZDAEDLO-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CSc1ccc(C(=O)C[NH3+])cc1O 258138495 573809036 /nfs/dbraw/zinc/80/90/36/573809036.db2.gz SDGCYDKZMDRPBB-UHFFFAOYSA-N 1 1 197.259 1.256 10 0 ADAEMO C[NH2+][C@H](C(C)C)[C@H]1CCCCN1 259571757 573809192 /nfs/dbraw/zinc/80/91/92/573809192.db2.gz WSPPWLMAPXRJCG-NXEZZACHSA-N 1 1 170.300 1.373 10 0 ADAEMO CC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CC1 41047637 573811196 /nfs/dbraw/zinc/81/11/96/573811196.db2.gz FKUXZXMZVLRPES-APPZFPTMSA-N 1 1 185.267 1.326 10 0 ADAEMO N[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc[nH]1 259196439 573811277 /nfs/dbraw/zinc/81/12/77/573811277.db2.gz WRFUFOUJRDODES-MNOVXSKESA-N 1 1 193.294 1.027 10 0 ADAEMO CCC(CC)[NH2+]CC(=O)OC(C)C 43446088 573811025 /nfs/dbraw/zinc/81/10/25/573811025.db2.gz OWMPTSVIIFTFPK-UHFFFAOYSA-N 1 1 187.283 1.716 10 0 ADAEMO Cc1noc(C)c1-c1[nH+]cc(N)n1C 238529643 573811169 /nfs/dbraw/zinc/81/11/69/573811169.db2.gz MQUMHNINQQMISC-UHFFFAOYSA-N 1 1 192.222 1.274 10 0 ADAEMO CCCCOC(=O)Cn1cc[nH+]c1C 43447675 573811339 /nfs/dbraw/zinc/81/13/39/573811339.db2.gz AVQOCMBIIJXKPU-UHFFFAOYSA-N 1 1 196.250 1.535 10 0 ADAEMO COC(=O)[C@H]1CC[N@@H+](C)[C@@H](C2CC2)C1 257882248 573811390 /nfs/dbraw/zinc/81/13/90/573811390.db2.gz VPOALRHBXGEBJH-VHSXEESVSA-N 1 1 197.278 1.280 10 0 ADAEMO CCC(CC)N1C[C@@H]2CC[NH2+][C@@H]2C1 87175453 573811455 /nfs/dbraw/zinc/81/14/55/573811455.db2.gz XMMBGYRLCSKMSV-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[N@H+]1CC[C@H](c2ncc(Cl)o2)C1 258516120 573811495 /nfs/dbraw/zinc/81/14/95/573811495.db2.gz LGGOLFNKOXXWRJ-LURJTMIESA-N 1 1 186.642 1.747 10 0 ADAEMO Cc1c(N)[nH+]cc(O)c1C(F)F 238529489 573811498 /nfs/dbraw/zinc/81/14/98/573811498.db2.gz GROQHRNGXIPYMH-UHFFFAOYSA-N 1 1 174.150 1.615 10 0 ADAEMO c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)[nH]n1 41047324 573812658 /nfs/dbraw/zinc/81/26/58/573812658.db2.gz NCPDNIRCCZKALR-NGZCFLSTSA-N 1 1 191.278 1.688 10 0 ADAEMO COCC[N@@H+]1CCC(=O)CC1(C)C 259199668 573812667 /nfs/dbraw/zinc/81/26/67/573812667.db2.gz BZPFJHPOEYLOAT-UHFFFAOYSA-N 1 1 185.267 1.076 10 0 ADAEMO COCC[N@H+]1CCC(=O)CC1(C)C 259199668 573812674 /nfs/dbraw/zinc/81/26/74/573812674.db2.gz BZPFJHPOEYLOAT-UHFFFAOYSA-N 1 1 185.267 1.076 10 0 ADAEMO C[C@](O)(C1CCC1)C(F)(F)C[NH3+] 257879994 573812727 /nfs/dbraw/zinc/81/27/27/573812727.db2.gz LTDYKRBRTYHMSJ-ZETCQYMHSA-N 1 1 179.210 1.132 10 0 ADAEMO CN[C@H](C[NH3+])c1ccc(C)c(C)c1C 259199137 573812770 /nfs/dbraw/zinc/81/27/70/573812770.db2.gz YQJWYFIVYGCIJX-GFCCVEGCSA-N 1 1 192.306 1.831 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1CCC1(O)CC1 306441627 573812815 /nfs/dbraw/zinc/81/28/15/573812815.db2.gz JKWPTFFVOUYTRJ-SNVBAGLBSA-N 1 1 183.295 1.776 10 0 ADAEMO CCOc1ccc(C(N)[NH3+])cc1F 259199141 573812898 /nfs/dbraw/zinc/81/28/98/573812898.db2.gz FZBZBNURRDWTCE-UHFFFAOYSA-N 1 1 184.214 1.140 10 0 ADAEMO Cc1cccc([C@@]2(C)CC(=O)C[NH2+]2)c1 258960349 573812908 /nfs/dbraw/zinc/81/29/08/573812908.db2.gz TUZNODQYDGQEBN-GFCCVEGCSA-N 1 1 189.258 1.773 10 0 ADAEMO O=C1CCC[N@H+](C2CCCC2)CC1 257879966 573812928 /nfs/dbraw/zinc/81/29/28/573812928.db2.gz LSCGZWCRNTUJPN-UHFFFAOYSA-N 1 1 181.279 1.984 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](CCO)C1(C)C 259199701 573812953 /nfs/dbraw/zinc/81/29/53/573812953.db2.gz BZXKOCKNLFCQKA-JTQLQIEISA-N 1 1 185.311 1.878 10 0 ADAEMO CC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 41047640 573812978 /nfs/dbraw/zinc/81/29/78/573812978.db2.gz FKUXZXMZVLRPES-IONNQARKSA-N 1 1 185.267 1.326 10 0 ADAEMO CCC(CC)[N@H+]1CCNCC[C@H]1C 87175678 573812989 /nfs/dbraw/zinc/81/29/89/573812989.db2.gz BAKGQBGJHYHMEQ-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO C[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)C1CCC1 127366083 573813001 /nfs/dbraw/zinc/81/30/01/573813001.db2.gz NUNFAPCFAVVQSR-UWVGGRQHSA-N 1 1 184.327 1.857 10 0 ADAEMO CCC[NH2+]C[C@]1(C)CCCCN1 127354261 573813104 /nfs/dbraw/zinc/81/31/04/573813104.db2.gz QRRFIARIMWPOJW-JTQLQIEISA-N 1 1 170.300 1.518 10 0 ADAEMO CN(C[C@@H]([NH3+])C1CCCC1)C1CCC1 127352541 573813269 /nfs/dbraw/zinc/81/32/69/573813269.db2.gz UJHSWQKOYXHTDU-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H](COC)[NH2+][C@@H](C)c1ccon1 308744633 573813305 /nfs/dbraw/zinc/81/33/05/573813305.db2.gz QTMCNBCHVABVDS-DTWKUNHWSA-N 1 1 198.266 1.750 10 0 ADAEMO C[C@H]1CCCC[N@H+]1CCC1(O)CC1 306441626 573813320 /nfs/dbraw/zinc/81/33/20/573813320.db2.gz JKWPTFFVOUYTRJ-JTQLQIEISA-N 1 1 183.295 1.776 10 0 ADAEMO CSc1ccc(C(=O)C[NH3+])c(O)c1 258145353 573813735 /nfs/dbraw/zinc/81/37/35/573813735.db2.gz SVTVJWVFWRZPPZ-UHFFFAOYSA-N 1 1 197.259 1.256 10 0 ADAEMO CN[C@@H](c1cccnc1)C(C)(C)C[NH3+] 259198500 573813354 /nfs/dbraw/zinc/81/33/54/573813354.db2.gz FHKUFZBASCAFKS-JTQLQIEISA-N 1 1 193.294 1.327 10 0 ADAEMO Oc1ccc(C(F)(F)[C@@H]2CC[NH2+]2)cc1 257880272 573813416 /nfs/dbraw/zinc/81/34/16/573813416.db2.gz RYNVSTOYVOYWJG-VIFPVBQESA-N 1 1 199.200 1.846 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](CCO)C1(C)C 259199703 573813478 /nfs/dbraw/zinc/81/34/78/573813478.db2.gz BZXKOCKNLFCQKA-SNVBAGLBSA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@H](N)c1cnc([C@@H]2CCC[NH2+]C2)o1 258139456 573813490 /nfs/dbraw/zinc/81/34/90/573813490.db2.gz PSJNTRCRFOUGQX-JGVFFNPUSA-N 1 1 195.266 1.161 10 0 ADAEMO Cc1ccccc1[C@@H]([NH3+])C1(N)CC1 259622261 573813569 /nfs/dbraw/zinc/81/35/69/573813569.db2.gz XZJMGWLMGRPRJR-SNVBAGLBSA-N 1 1 176.263 1.486 10 0 ADAEMO COC(=O)C(C)(C)C[C@H]1CC[N@@H+](C)C1 259199912 573813638 /nfs/dbraw/zinc/81/36/38/573813638.db2.gz RVBZASKQNONLJA-SECBINFHSA-N 1 1 199.294 1.527 10 0 ADAEMO O=C1CNc2c(c[nH+]c3ccccc23)N1 162161724 573815816 /nfs/dbraw/zinc/81/58/16/573815816.db2.gz HNSYVJMCCFFBTA-UHFFFAOYSA-N 1 1 199.213 1.599 10 0 ADAEMO CCC[N@H+](C1CC1)[C@H](C)C(N)=S 43514012 573825249 /nfs/dbraw/zinc/82/52/49/573825249.db2.gz QYOOTXCDOKRYRE-SSDOTTSWSA-N 1 1 186.324 1.535 10 0 ADAEMO C[NH2+]C[C@H](C(C)C)[C@H](N)c1cc[nH]c1 259200514 573817337 /nfs/dbraw/zinc/81/73/37/573817337.db2.gz DKMOZXCSAOOQLQ-GHMZBOCLSA-N 1 1 195.310 1.506 10 0 ADAEMO C[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)C1CCC1 127365592 573814547 /nfs/dbraw/zinc/81/45/47/573814547.db2.gz NUNFAPCFAVVQSR-VHSXEESVSA-N 1 1 184.327 1.857 10 0 ADAEMO C[NH2+][C@@H]1CC[N@H+](C(C)C)CC1(C)C 259198725 573814552 /nfs/dbraw/zinc/81/45/52/573814552.db2.gz IRAULMRPRGUJNT-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H](CO)S[C@@H]1CCC[N@@H+](C)C1 258962773 573814620 /nfs/dbraw/zinc/81/46/20/573814620.db2.gz CEIFETFPEOBRAU-DTWKUNHWSA-N 1 1 189.324 1.195 10 0 ADAEMO CC(F)(F)C1([NH3+])CSC1 258435399 573818503 /nfs/dbraw/zinc/81/85/03/573818503.db2.gz DMEAVSQCLQTMEH-UHFFFAOYSA-N 1 1 153.197 1.086 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1C1(N)CC1 258130679 573814700 /nfs/dbraw/zinc/81/47/00/573814700.db2.gz URZRRBJVUDYRGK-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CCN1CCCC[C@@H]1C1([NH3+])CC1 258130679 573814706 /nfs/dbraw/zinc/81/47/06/573814706.db2.gz URZRRBJVUDYRGK-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@@H](CO)S[C@H]1CCC[N@@H+](C)C1 258962774 573814709 /nfs/dbraw/zinc/81/47/09/573814709.db2.gz CEIFETFPEOBRAU-IUCAKERBSA-N 1 1 189.324 1.195 10 0 ADAEMO C=Cc1ccccc1[C@@H]1CNCC[NH2+]1 238132604 573814730 /nfs/dbraw/zinc/81/47/30/573814730.db2.gz UDEKDOPLGCNSDY-LBPRGKRZSA-N 1 1 188.274 1.564 10 0 ADAEMO CC[C@H](C)C[NH2+]C1(C(=O)OC)CCC1 308744627 573814734 /nfs/dbraw/zinc/81/47/34/573814734.db2.gz QTKZAELYOFZJSK-VIFPVBQESA-N 1 1 199.294 1.718 10 0 ADAEMO CC(=O)Cc1[nH+]cc2cc(N)ccn12 258434937 573814766 /nfs/dbraw/zinc/81/47/66/573814766.db2.gz DTQAUUSLOZJCBR-UHFFFAOYSA-N 1 1 189.218 1.048 10 0 ADAEMO C[N@H+](C1CC1)[C@H](CN)C(C)(C)C 41051548 573818510 /nfs/dbraw/zinc/81/85/10/573818510.db2.gz LXLWXFHFVABXEM-SECBINFHSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C1CC1)[C@H](C[NH3+])C(C)(C)C 41051548 573818516 /nfs/dbraw/zinc/81/85/16/573818516.db2.gz LXLWXFHFVABXEM-SECBINFHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[NH2+][C@@H](C(C)C)[C@H]1CCCCN1 259571770 573815066 /nfs/dbraw/zinc/81/50/66/573815066.db2.gz WSPPWLMAPXRJCG-ZJUUUORDSA-N 1 1 170.300 1.373 10 0 ADAEMO CN[C@H](c1cccnc1)C(C)(C)C[NH3+] 259198504 573815181 /nfs/dbraw/zinc/81/51/81/573815181.db2.gz FHKUFZBASCAFKS-SNVBAGLBSA-N 1 1 193.294 1.327 10 0 ADAEMO CC[N@H+]1CC[C@H](CCCONC)C1 257880570 573815200 /nfs/dbraw/zinc/81/52/00/573815200.db2.gz FHBCOXGDJADNBI-JTQLQIEISA-N 1 1 186.299 1.259 10 0 ADAEMO CC[C@@H]1[C@@H](CC(=O)OC)CC[N@H+]1CC 259572359 573815276 /nfs/dbraw/zinc/81/52/76/573815276.db2.gz DJVVOMAWLJLUKM-NXEZZACHSA-N 1 1 199.294 1.670 10 0 ADAEMO C[NH2+]C[C@@H](C(C)C)[C@H](N)c1cc[nH]c1 259200524 573818674 /nfs/dbraw/zinc/81/86/74/573818674.db2.gz DKMOZXCSAOOQLQ-WDEREUQCSA-N 1 1 195.310 1.506 10 0 ADAEMO C[C@H](O)CCC1=CCC[N@@H+](C)C1 258148362 573818675 /nfs/dbraw/zinc/81/86/75/573818675.db2.gz QVNXPROTFJYAEA-VIFPVBQESA-N 1 1 169.268 1.409 10 0 ADAEMO C[C@@H](N)c1cnc([C@H]2CCC[NH2+]C2)o1 258139460 573815310 /nfs/dbraw/zinc/81/53/10/573815310.db2.gz PSJNTRCRFOUGQX-SFYZADRCSA-N 1 1 195.266 1.161 10 0 ADAEMO CC[N@H+]1CC[C@@H](c2oncc2N)C1 258434661 573815396 /nfs/dbraw/zinc/81/53/96/573815396.db2.gz GAMLIVBBDZMYEY-SSDOTTSWSA-N 1 1 181.239 1.066 10 0 ADAEMO Cc1cc([C@H]2CCCC2=O)c[nH+]c1N 238522096 573815403 /nfs/dbraw/zinc/81/54/03/573815403.db2.gz DOWAEBGZYUPAEM-SECBINFHSA-N 1 1 190.246 1.809 10 0 ADAEMO C[NH2+][C@@H](C(C)C)[C@@H]1CCCCN1 259571763 573815447 /nfs/dbraw/zinc/81/54/47/573815447.db2.gz WSPPWLMAPXRJCG-UWVGGRQHSA-N 1 1 170.300 1.373 10 0 ADAEMO CCC[NH2+][C@H](C(=O)OCC)C(C)C 41049523 573815456 /nfs/dbraw/zinc/81/54/56/573815456.db2.gz KKVDHNXZJUHLPE-VIFPVBQESA-N 1 1 187.283 1.574 10 0 ADAEMO C[C@H](N)c1cnc([C@H]2CCC[NH2+]C2)o1 258139463 573815497 /nfs/dbraw/zinc/81/54/97/573815497.db2.gz PSJNTRCRFOUGQX-YUMQZZPRSA-N 1 1 195.266 1.161 10 0 ADAEMO CN(C[C@H]([NH3+])C1CCCC1)C1CCC1 127352298 573815552 /nfs/dbraw/zinc/81/55/52/573815552.db2.gz UJHSWQKOYXHTDU-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCOCCN[C@H](C[NH3+])CCC 393591542 573815739 /nfs/dbraw/zinc/81/57/39/573815739.db2.gz RMWUWULYTFMMSC-JTQLQIEISA-N 1 1 188.315 1.130 10 0 ADAEMO CC[C@H](COC)[NH2+][C@H](C)c1ccon1 308744635 573815743 /nfs/dbraw/zinc/81/57/43/573815743.db2.gz QTMCNBCHVABVDS-RKDXNWHRSA-N 1 1 198.266 1.750 10 0 ADAEMO C[C@H](CO)S[C@H]1CCC[N@@H+](C)C1 258962772 573815761 /nfs/dbraw/zinc/81/57/61/573815761.db2.gz CEIFETFPEOBRAU-BDAKNGLRSA-N 1 1 189.324 1.195 10 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/nfs/dbraw/zinc/81/68/42/573816842.db2.gz SLBGNIYYSYDTJQ-QMMMGPOBSA-N 1 1 193.246 1.442 10 0 ADAEMO CC(C)Cc1cc(CCC[NH3+])n[nH]1 257881370 573817097 /nfs/dbraw/zinc/81/70/97/573817097.db2.gz MBKVFFQFGQKQBQ-UHFFFAOYSA-N 1 1 181.283 1.500 10 0 ADAEMO CC(C)Cc1cc(C2([NH3+])CC2)n[nH]1 257881052 573817109 /nfs/dbraw/zinc/81/71/09/573817109.db2.gz LXMDMNPHICYJHT-UHFFFAOYSA-N 1 1 179.267 1.556 10 0 ADAEMO CSC[C@H](C)[NH2+][C@H]1CCCNC1 127376320 573817159 /nfs/dbraw/zinc/81/71/59/573817159.db2.gz WUNDXPIOYPNFAS-IUCAKERBSA-N 1 1 188.340 1.080 10 0 ADAEMO C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C1CCC1 127366313 573817297 /nfs/dbraw/zinc/81/72/97/573817297.db2.gz NUNFAPCFAVVQSR-ZJUUUORDSA-N 1 1 184.327 1.857 10 0 ADAEMO Cc1cn(C)c(N2CCCCC2)[nH+]1 257879864 573817302 /nfs/dbraw/zinc/81/73/02/573817302.db2.gz JXGORFBYNAEKLC-UHFFFAOYSA-N 1 1 179.267 1.719 10 0 ADAEMO CCC[NH2+]C[C@@]1(C)CCCCN1 127354498 573817409 /nfs/dbraw/zinc/81/74/09/573817409.db2.gz QRRFIARIMWPOJW-SNVBAGLBSA-N 1 1 170.300 1.518 10 0 ADAEMO [NH3+]CC(=O)c1cc2c(cc1F)CCC2 258147800 573817410 /nfs/dbraw/zinc/81/74/10/573817410.db2.gz TUSNVIBMXNEDJE-UHFFFAOYSA-N 1 1 193.221 1.456 10 0 ADAEMO CCc1nc([C@H]2CCC[C@@H]2C[NH3+])n[nH]1 84306179 573818841 /nfs/dbraw/zinc/81/88/41/573818841.db2.gz RDTOTCAMQZDDFF-SFYZADRCSA-N 1 1 194.282 1.210 10 0 ADAEMO CC[N@H+]1CC[C@@H](C2(O)CCC2)C1 258146893 573817681 /nfs/dbraw/zinc/81/76/81/573817681.db2.gz VWPMORNYWYKHMD-SECBINFHSA-N 1 1 169.268 1.243 10 0 ADAEMO CCc1nc([C@H]2CCC[C@H]2C[NH3+])n[nH]1 84306183 573817715 /nfs/dbraw/zinc/81/77/15/573817715.db2.gz RDTOTCAMQZDDFF-YUMQZZPRSA-N 1 1 194.282 1.210 10 0 ADAEMO CCc1nnc([C@H]2CCC[C@H]2C[NH3+])[nH]1 84306183 573817716 /nfs/dbraw/zinc/81/77/16/573817716.db2.gz RDTOTCAMQZDDFF-YUMQZZPRSA-N 1 1 194.282 1.210 10 0 ADAEMO C[N@@H+](CC1CC1)[C@H](CN)C(C)(C)C 41051636 573817717 /nfs/dbraw/zinc/81/77/17/573817717.db2.gz IXHWIGJPEIEFKA-SNVBAGLBSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[N@@H+](C)[C@H](CN)C(C)(C)C 41051512 573817731 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1 194.282 1.346 10 0 ADAEMO Cc1nnc([C@H]2CCCC[C@@H]2C[NH3+])[nH]1 84300412 573817947 /nfs/dbraw/zinc/81/79/47/573817947.db2.gz NEJZKOUMSGHTLE-BDAKNGLRSA-N 1 1 194.282 1.346 10 0 ADAEMO CCC[N@@H+](C)[C@@H](CN)C(C)(C)C 41051562 573818046 /nfs/dbraw/zinc/81/80/46/573818046.db2.gz OVDJJDQQRZTCNL-VIFPVBQESA-N 1 1 172.316 1.702 10 0 ADAEMO CCCN(C)[C@@H](C[NH3+])C(C)(C)C 41051562 573818050 /nfs/dbraw/zinc/81/80/50/573818050.db2.gz OVDJJDQQRZTCNL-VIFPVBQESA-N 1 1 172.316 1.702 10 0 ADAEMO Cc1ncsc1[C@H](C)[NH2+]C1COC1 87194421 573818132 /nfs/dbraw/zinc/81/81/32/573818132.db2.gz KZOXEDJSDHYANW-ZETCQYMHSA-N 1 1 198.291 1.501 10 0 ADAEMO CCCC[C@H](CN)[N@H+]1CCC[C@@H]1C 41053193 573818176 /nfs/dbraw/zinc/81/81/76/573818176.db2.gz WVYFUFDMMMMBQC-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CCc1nnc([C@H]2CCC[C@@H]2C[NH3+])[nH]1 84306179 573818849 /nfs/dbraw/zinc/81/88/49/573818849.db2.gz RDTOTCAMQZDDFF-SFYZADRCSA-N 1 1 194.282 1.210 10 0 ADAEMO CCCC[C@@H](CN)[N@@H+](CC)C1CC1 41053105 573818226 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/nfs/dbraw/zinc/81/88/75/573818875.db2.gz IQKBAZGULIDXIL-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@H]1CNc2ccc[nH+]c2N1 84305537 573818660 /nfs/dbraw/zinc/81/86/60/573818660.db2.gz FOVLIIUOTXECQQ-ZETCQYMHSA-N 1 1 163.224 1.698 10 0 ADAEMO CCCC[C@@H](CN)[N@@H+](C)C1CC1 41053107 573818880 /nfs/dbraw/zinc/81/88/80/573818880.db2.gz IQKBAZGULIDXIL-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CCCCC[N@H+]1C[C@@H](O)C2(CC2)C1 308445954 573824247 /nfs/dbraw/zinc/82/42/47/573824247.db2.gz BCKFFOZIDSFZPE-SNVBAGLBSA-N 1 1 183.295 1.633 10 0 ADAEMO Cc1n[nH]c([C@H]2CCCC[C@H]2C[NH3+])n1 84300418 573820570 /nfs/dbraw/zinc/82/05/70/573820570.db2.gz NEJZKOUMSGHTLE-IUCAKERBSA-N 1 1 194.282 1.346 10 0 ADAEMO Cc1nnc([C@H]2CCCC[C@H]2C[NH3+])[nH]1 84300418 573820576 /nfs/dbraw/zinc/82/05/76/573820576.db2.gz NEJZKOUMSGHTLE-IUCAKERBSA-N 1 1 194.282 1.346 10 0 ADAEMO Cc1ccc([C@@H]2[NH2+]CCCO2)o1 238524368 573819744 /nfs/dbraw/zinc/81/97/44/573819744.db2.gz AVGWWTOECGAFMX-SECBINFHSA-N 1 1 167.208 1.597 10 0 ADAEMO COC(=O)[C@H]([NH2+]C(C)C)C(C)(C)C 41051786 573819785 /nfs/dbraw/zinc/81/97/85/573819785.db2.gz DKUVPYKSWGYNMD-QMMMGPOBSA-N 1 1 187.283 1.572 10 0 ADAEMO CC(C)C[N@@H+](C)[C@H](CN)C(C)(C)C 41051565 573819871 /nfs/dbraw/zinc/81/98/71/573819871.db2.gz CTMZOQXCYMXCKW-SNVBAGLBSA-N 1 1 186.343 1.948 10 0 ADAEMO CCCC[C@@H](CN)[N@@H+](C)C(C)C 41053063 573819950 /nfs/dbraw/zinc/81/99/50/573819950.db2.gz ONRZHGGVXUXXLU-JTQLQIEISA-N 1 1 172.316 1.844 10 0 ADAEMO C[C@@H](O)CCC1=CCC[N@@H+](C)C1 258148360 573819952 /nfs/dbraw/zinc/81/99/52/573819952.db2.gz QVNXPROTFJYAEA-SECBINFHSA-N 1 1 169.268 1.409 10 0 ADAEMO CCCC[C@@H](C[NH3+])N(C)C(C)C 41053063 573819953 /nfs/dbraw/zinc/81/99/53/573819953.db2.gz ONRZHGGVXUXXLU-JTQLQIEISA-N 1 1 172.316 1.844 10 0 ADAEMO COC(=O)[C@@H]([NH2+]C(C)C)C(C)(C)C 41051787 573820060 /nfs/dbraw/zinc/82/00/60/573820060.db2.gz DKUVPYKSWGYNMD-MRVPVSSYSA-N 1 1 187.283 1.572 10 0 ADAEMO CC1(C)C[C@H](O)C[N@H+]1C[C@@H]1CCCO1 259204664 573820064 /nfs/dbraw/zinc/82/00/64/573820064.db2.gz CGNJXSYPPJWKPQ-UWVGGRQHSA-N 1 1 199.294 1.011 10 0 ADAEMO CC(C)[N@H+](CC1CC1)[C@H]1CCCNC1 43501358 573820148 /nfs/dbraw/zinc/82/01/48/573820148.db2.gz DNYHCSJUAGHOFZ-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[N@@H+](CC1CC1)[C@H]1CCCNC1 43501358 573820155 /nfs/dbraw/zinc/82/01/55/573820155.db2.gz DNYHCSJUAGHOFZ-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@H+]1CC[C@H](C2(O)CCC2)C1 258146895 573820236 /nfs/dbraw/zinc/82/02/36/573820236.db2.gz VWPMORNYWYKHMD-VIFPVBQESA-N 1 1 169.268 1.243 10 0 ADAEMO CC[N@H+](C1CC1)[C@H](CN)C(C)(C)C 41051547 573820308 /nfs/dbraw/zinc/82/03/08/573820308.db2.gz SZPUJDBPHQAGQH-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CCN(C1CC1)[C@H](C[NH3+])C(C)(C)C 41051547 573820313 /nfs/dbraw/zinc/82/03/13/573820313.db2.gz SZPUJDBPHQAGQH-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H](C)[C@@H](NN)c1c[nH+]c(C)n1C 308447934 573820352 /nfs/dbraw/zinc/82/03/52/573820352.db2.gz BGRKPULEIMSBRQ-OIBJUYFYSA-N 1 1 196.298 1.279 10 0 ADAEMO CCCC(C)(C)[NH2+][C@@H]1C[C@H](C)OC1=O 308749754 573820413 /nfs/dbraw/zinc/82/04/13/573820413.db2.gz TVLMGBLWVWCFAU-DTWKUNHWSA-N 1 1 199.294 1.859 10 0 ADAEMO C[C@H]1CCc2[nH+]c(CCCO)cn2C1 258146316 573820501 /nfs/dbraw/zinc/82/05/01/573820501.db2.gz DFRVZPWCWGEARS-VIFPVBQESA-N 1 1 194.278 1.390 10 0 ADAEMO CC[C@@H](C)[C@H](NN)c1c[nH+]c(C)n1C 308447935 573822311 /nfs/dbraw/zinc/82/23/11/573822311.db2.gz BGRKPULEIMSBRQ-XCBNKYQSSA-N 1 1 196.298 1.279 10 0 ADAEMO CSC[C@@H](C)[NH2+][C@@H]1CCCNC1 127376117 573821737 /nfs/dbraw/zinc/82/17/37/573821737.db2.gz WUNDXPIOYPNFAS-RKDXNWHRSA-N 1 1 188.340 1.080 10 0 ADAEMO C[C@H]1CCO[C@H]1c1nnc(C[NH3+])s1 125190216 573822361 /nfs/dbraw/zinc/82/23/61/573822361.db2.gz KGKQTNCGILQQDH-CAHLUQPWSA-N 1 1 199.279 1.094 10 0 ADAEMO CCC(CC)[N@@H+](C)[C@@H](C)[C@@H](C)N 41053844 573824303 /nfs/dbraw/zinc/82/43/03/573824303.db2.gz CNIWDQZVEZEDJI-BDAKNGLRSA-N 1 1 172.316 1.843 10 0 ADAEMO Cc1n[nH]c([C@@H]2CCCC[C@H]2C[NH3+])n1 84300416 573821550 /nfs/dbraw/zinc/82/15/50/573821550.db2.gz NEJZKOUMSGHTLE-DTWKUNHWSA-N 1 1 194.282 1.346 10 0 ADAEMO Cc1nnc([C@@H]2CCCC[C@H]2C[NH3+])[nH]1 84300416 573821556 /nfs/dbraw/zinc/82/15/56/573821556.db2.gz NEJZKOUMSGHTLE-DTWKUNHWSA-N 1 1 194.282 1.346 10 0 ADAEMO CC[NH2+][C@@H](C(=O)OCC)C(C)(C)C 41051792 573821692 /nfs/dbraw/zinc/82/16/92/573821692.db2.gz RQWNNTHJGWIFRB-QMMMGPOBSA-N 1 1 187.283 1.574 10 0 ADAEMO C[N@@H+](C[C@H]([NH3+])C1CC1)C1CCC1 127314156 573821796 /nfs/dbraw/zinc/82/17/96/573821796.db2.gz ABIONPFXGKKDSQ-JTQLQIEISA-N 1 1 168.284 1.208 10 0 ADAEMO CN(C[C@H]([NH3+])C1CC1)C1CCC1 127314156 573821800 /nfs/dbraw/zinc/82/18/00/573821800.db2.gz ABIONPFXGKKDSQ-JTQLQIEISA-N 1 1 168.284 1.208 10 0 ADAEMO CCCC[C@H](CN)[N@H+](C)C1CC1 41053108 573821852 /nfs/dbraw/zinc/82/18/52/573821852.db2.gz IQKBAZGULIDXIL-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CCCC[C@H](CN)[N@@H+](C)C1CC1 41053108 573821858 /nfs/dbraw/zinc/82/18/58/573821858.db2.gz IQKBAZGULIDXIL-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H](CN)C(C)(C)C 41051511 573821917 /nfs/dbraw/zinc/82/19/17/573821917.db2.gz MAAOGTUXBFPPTH-VIFPVBQESA-N 1 1 172.316 1.700 10 0 ADAEMO CC(C)N(C)[C@@H](C[NH3+])C(C)(C)C 41051511 573821923 /nfs/dbraw/zinc/82/19/23/573821923.db2.gz MAAOGTUXBFPPTH-VIFPVBQESA-N 1 1 172.316 1.700 10 0 ADAEMO CCCC[C@@H](C[NH3+])N(CC)CC 41053041 573822049 /nfs/dbraw/zinc/82/20/49/573822049.db2.gz PRWXOBMPEUMWPZ-JTQLQIEISA-N 1 1 172.316 1.846 10 0 ADAEMO CC1(C)C[C@H](O)C[N@H+]1C[C@H]1CCCO1 259204666 573822088 /nfs/dbraw/zinc/82/20/88/573822088.db2.gz CGNJXSYPPJWKPQ-VHSXEESVSA-N 1 1 199.294 1.011 10 0 ADAEMO CCc1nc([C@@H]2CCC[C@H]2C[NH3+])n[nH]1 84306181 573822111 /nfs/dbraw/zinc/82/21/11/573822111.db2.gz RDTOTCAMQZDDFF-JGVFFNPUSA-N 1 1 194.282 1.210 10 0 ADAEMO CCc1nnc([C@@H]2CCC[C@H]2C[NH3+])[nH]1 84306181 573822116 /nfs/dbraw/zinc/82/21/16/573822116.db2.gz RDTOTCAMQZDDFF-JGVFFNPUSA-N 1 1 194.282 1.210 10 0 ADAEMO [NH3+]C[C@H]1CCCC[C@H]1c1nc[nH]n1 84300553 573822126 /nfs/dbraw/zinc/82/21/26/573822126.db2.gz GEERQMBCTIXEEN-HTQZYQBOSA-N 1 1 180.255 1.037 10 0 ADAEMO CC[N@H+](C1CC1)[C@@H](CN)C(C)(C)C 41051546 573822158 /nfs/dbraw/zinc/82/21/58/573822158.db2.gz SZPUJDBPHQAGQH-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO Cc1cc([C@H]([NH3+])CN)cc2c1CCC2 238523354 573822160 /nfs/dbraw/zinc/82/21/60/573822160.db2.gz WRPAVIJEYAZESZ-GFCCVEGCSA-N 1 1 190.290 1.442 10 0 ADAEMO CCN(C1CC1)[C@@H](C[NH3+])C(C)(C)C 41051546 573822162 /nfs/dbraw/zinc/82/21/62/573822162.db2.gz SZPUJDBPHQAGQH-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO CCCC[C@H](CN)[N@@H+](CC)C1CC1 41053106 573822169 /nfs/dbraw/zinc/82/21/69/573822169.db2.gz NZHMEQKERDUOCY-LLVKDONJSA-N 1 1 184.327 1.988 10 0 ADAEMO CCCC[C@H](C[NH3+])N(CC)C1CC1 41053106 573822175 /nfs/dbraw/zinc/82/21/75/573822175.db2.gz NZHMEQKERDUOCY-LLVKDONJSA-N 1 1 184.327 1.988 10 0 ADAEMO CCCC[C@H](CN)[N@@H+](C)C(C)C 41053064 573822195 /nfs/dbraw/zinc/82/21/95/573822195.db2.gz ONRZHGGVXUXXLU-SNVBAGLBSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCC[C@H](C[NH3+])N(C)C(C)C 41053064 573822202 /nfs/dbraw/zinc/82/22/02/573822202.db2.gz ONRZHGGVXUXXLU-SNVBAGLBSA-N 1 1 172.316 1.844 10 0 ADAEMO CC(C)[C@](C)(CN)[N@@H+](C)C1CC1 41053599 573824284 /nfs/dbraw/zinc/82/42/84/573824284.db2.gz UQIXLXFSAVIEFT-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[C@](C)(C[NH3+])N(C)C1CC1 41053599 573824290 /nfs/dbraw/zinc/82/42/90/573824290.db2.gz UQIXLXFSAVIEFT-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO C[N@H+]1CC[C@@H](O)[C@H]1c1cccc(N)c1 257884674 573824291 /nfs/dbraw/zinc/82/42/91/573824291.db2.gz WBHYMOUVNPXJMQ-GHMZBOCLSA-N 1 1 192.262 1.006 10 0 ADAEMO CC(C)[N@@H+](CC1CC1)[C@@H]1CCCNC1 43501357 573824167 /nfs/dbraw/zinc/82/41/67/573824167.db2.gz DNYHCSJUAGHOFZ-GFCCVEGCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[N@H+]1CC[C@H](O)[C@H]1c1cccc(N)c1 257884685 573824187 /nfs/dbraw/zinc/82/41/87/573824187.db2.gz WBHYMOUVNPXJMQ-WDEREUQCSA-N 1 1 192.262 1.006 10 0 ADAEMO CC(C)[N@H+](CC1CC1)C1CCNCC1 43501192 573824213 /nfs/dbraw/zinc/82/42/13/573824213.db2.gz RECLMZHFHBNUFK-UHFFFAOYSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[N@@H+](CC1CC1)C1CCNCC1 43501192 573824219 /nfs/dbraw/zinc/82/42/19/573824219.db2.gz RECLMZHFHBNUFK-UHFFFAOYSA-N 1 1 196.338 1.859 10 0 ADAEMO COCCc1[nH+]cc2n1C[C@H](C)CC2 258436329 573823969 /nfs/dbraw/zinc/82/39/69/573823969.db2.gz WLCVSYNQUAGPJV-SECBINFHSA-N 1 1 194.278 1.654 10 0 ADAEMO CC(C)c1nnc(CC[NH2+]C2CC2)[nH]1 41058478 573823977 /nfs/dbraw/zinc/82/39/77/573823977.db2.gz IWCUTIKAVHIUNH-UHFFFAOYSA-N 1 1 194.282 1.223 10 0 ADAEMO CC(C)c1nc(CC[NH2+]C2CC2)n[nH]1 41058478 573823982 /nfs/dbraw/zinc/82/39/82/573823982.db2.gz IWCUTIKAVHIUNH-UHFFFAOYSA-N 1 1 194.282 1.223 10 0 ADAEMO CCCCC[N@@H+](C)[C@H](C)[C@@H](C)N 41053813 573824077 /nfs/dbraw/zinc/82/40/77/573824077.db2.gz OKDNNQBLRSGSNL-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCCCN(C)[C@H](C)[C@@H](C)[NH3+] 41053813 573824084 /nfs/dbraw/zinc/82/40/84/573824084.db2.gz OKDNNQBLRSGSNL-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CC(C)[N@H+](CC1CC1)[C@@H]1CCCNC1 43501357 573824161 /nfs/dbraw/zinc/82/41/61/573824161.db2.gz DNYHCSJUAGHOFZ-GFCCVEGCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCC[C@@H]([NH2+]CC)C(=O)OC 41053353 573824239 /nfs/dbraw/zinc/82/42/39/573824239.db2.gz XSMQCWJFPDMSIP-MRVPVSSYSA-N 1 1 173.256 1.328 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)N 41053806 573825231 /nfs/dbraw/zinc/82/52/31/573825231.db2.gz QOKHWGHEMYMRLQ-HLTSFMKQSA-N 1 1 158.289 1.452 10 0 ADAEMO CC[C@@H](C)N(C)[C@@H](C)[C@@H](C)[NH3+] 41053806 573825239 /nfs/dbraw/zinc/82/52/39/573825239.db2.gz QOKHWGHEMYMRLQ-HLTSFMKQSA-N 1 1 158.289 1.452 10 0 ADAEMO CCC[NH2+][C@@H](COC)c1coc(C)n1 308445083 573825186 /nfs/dbraw/zinc/82/51/86/573825186.db2.gz AELUYEYCOPFEGX-VIFPVBQESA-N 1 1 198.266 1.670 10 0 ADAEMO Cc1ccc([C@@H]2N[NH+]=C(N)S2)o1 238524752 573825128 /nfs/dbraw/zinc/82/51/28/573825128.db2.gz HVQGUZWDYKUKNP-ZCFIWIBFSA-N 1 1 183.236 1.153 10 0 ADAEMO CCC[N@H+](C1CC1)[C@H](C)[C@@H](C)N 41053801 573826876 /nfs/dbraw/zinc/82/68/76/573826876.db2.gz UHIWOMDALJHSRW-RKDXNWHRSA-N 1 1 170.300 1.597 10 0 ADAEMO CCCN(C1CC1)[C@H](C)[C@@H](C)[NH3+] 41053801 573826881 /nfs/dbraw/zinc/82/68/81/573826881.db2.gz UHIWOMDALJHSRW-RKDXNWHRSA-N 1 1 170.300 1.597 10 0 ADAEMO CCC[C@H]([NH3+])CN(C)C1CCC1 127335128 573826895 /nfs/dbraw/zinc/82/68/95/573826895.db2.gz BEAYIZLTHNWPEV-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)C[N@@H+](C)[C@](C)(CN)C(C)C 41053615 573826902 /nfs/dbraw/zinc/82/69/02/573826902.db2.gz SNCGKVZJXZTRRO-LLVKDONJSA-N 1 1 186.343 1.948 10 0 ADAEMO CC[C@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)N 41053891 573826925 /nfs/dbraw/zinc/82/69/25/573826925.db2.gz ZCKGALFJSIJNHZ-UTLUCORTSA-N 1 1 170.300 1.597 10 0 ADAEMO Cc1sccc1[C@H](CN)[NH2+]C1CC1 393593023 573826939 /nfs/dbraw/zinc/82/69/39/573826939.db2.gz ZIUMIJFJHUAOPX-JTQLQIEISA-N 1 1 196.319 1.808 10 0 ADAEMO CCCC[C@H]([NH2+]CC)C(=O)OC 41053352 573827755 /nfs/dbraw/zinc/82/77/55/573827755.db2.gz XSMQCWJFPDMSIP-QMMMGPOBSA-N 1 1 173.256 1.328 10 0 ADAEMO CCC[N@@H+](C(C)C)[C@@H](C)C(N)=S 43514009 573827813 /nfs/dbraw/zinc/82/78/13/573827813.db2.gz DOSUHWSHGRVIGX-QMMMGPOBSA-N 1 1 188.340 1.781 10 0 ADAEMO CCC[N@H+](C1CC1)[C@@H](C)C(N)=S 43514011 573827878 /nfs/dbraw/zinc/82/78/78/573827878.db2.gz QYOOTXCDOKRYRE-ZETCQYMHSA-N 1 1 186.324 1.535 10 0 ADAEMO CCC[C@@H]([NH3+])CN(C)C1CCC1 127335359 573827892 /nfs/dbraw/zinc/82/78/92/573827892.db2.gz BEAYIZLTHNWPEV-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCO[C@H](c1noc(C[NH3+])n1)C(C)C 131222521 573827973 /nfs/dbraw/zinc/82/79/73/573827973.db2.gz FAHARDCYXUFQSO-QMMMGPOBSA-N 1 1 199.254 1.262 10 0 ADAEMO CCC[N@H+](C1CC1)[C@@H](C)[C@@H](C)N 41053800 573828077 /nfs/dbraw/zinc/82/80/77/573828077.db2.gz UHIWOMDALJHSRW-BDAKNGLRSA-N 1 1 170.300 1.597 10 0 ADAEMO CCCN(C1CC1)[C@@H](C)[C@@H](C)[NH3+] 41053800 573828082 /nfs/dbraw/zinc/82/80/82/573828082.db2.gz UHIWOMDALJHSRW-BDAKNGLRSA-N 1 1 170.300 1.597 10 0 ADAEMO CC(C)[C@](C)(CN)[N@@H+](C)CC1CC1 41053687 573828153 /nfs/dbraw/zinc/82/81/53/573828153.db2.gz XJDCCMOBWPUCPX-NSHDSACASA-N 1 1 184.327 1.702 10 0 ADAEMO CCCC[C@H]([NH2+]CC)C(=O)OCC 41053354 573828178 /nfs/dbraw/zinc/82/81/78/573828178.db2.gz YATMJNWFASDTIA-VIFPVBQESA-N 1 1 187.283 1.718 10 0 ADAEMO CCCC[N@@H+](C)[C@@H](C)[C@@H](C)N 41053756 573828199 /nfs/dbraw/zinc/82/81/99/573828199.db2.gz OZECNHWZKFMGQE-BDAKNGLRSA-N 1 1 158.289 1.454 10 0 ADAEMO CCCCN(C)[C@@H](C)[C@@H](C)[NH3+] 41053756 573828202 /nfs/dbraw/zinc/82/82/02/573828202.db2.gz OZECNHWZKFMGQE-BDAKNGLRSA-N 1 1 158.289 1.454 10 0 ADAEMO CCCC[N@@H+](C)[C@H](C)C(N)=S 43513837 573828204 /nfs/dbraw/zinc/82/82/04/573828204.db2.gz WGFHRUYOCIISLR-SSDOTTSWSA-N 1 1 174.313 1.393 10 0 ADAEMO CC[C@H](C)[N@@H+](CCN)C1CC1 41056887 573828213 /nfs/dbraw/zinc/82/82/13/573828213.db2.gz VSAQQMLJQSMUCZ-QMMMGPOBSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@H](C)N(CC[NH3+])C1CC1 41056887 573828214 /nfs/dbraw/zinc/82/82/14/573828214.db2.gz VSAQQMLJQSMUCZ-QMMMGPOBSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)[C@@H](C)N 41053814 573828226 /nfs/dbraw/zinc/82/82/26/573828226.db2.gz PTYVSMQGCASHLB-BBBLOLIVSA-N 1 1 172.316 1.700 10 0 ADAEMO CC[C@@H](C)CN(C)[C@@H](C)[C@@H](C)[NH3+] 41053814 573828229 /nfs/dbraw/zinc/82/82/29/573828229.db2.gz PTYVSMQGCASHLB-BBBLOLIVSA-N 1 1 172.316 1.700 10 0 ADAEMO C[NH2+]CNc1ccc(C)o1 258961406 573828240 /nfs/dbraw/zinc/82/82/40/573828240.db2.gz VYQJJJCTGDMPFX-UHFFFAOYSA-N 1 1 140.186 1.177 10 0 ADAEMO CCCC[N@@H+](CC)[C@H](C)[C@@H](C)N 41053761 573828251 /nfs/dbraw/zinc/82/82/51/573828251.db2.gz VCTXHEIJUCFQKU-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCCN(CC)[C@H](C)[C@@H](C)[NH3+] 41053761 573828255 /nfs/dbraw/zinc/82/82/55/573828255.db2.gz VCTXHEIJUCFQKU-NXEZZACHSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)N 41053798 573828321 /nfs/dbraw/zinc/82/83/21/573828321.db2.gz RVSKMFOQHTWARO-ZJUUUORDSA-N 1 1 172.316 1.843 10 0 ADAEMO CC[C@@H](C)[C@]1(O)CC[N@@H+](C)C1 84329251 573828375 /nfs/dbraw/zinc/82/83/75/573828375.db2.gz QKVGJJLWFLGNRG-BDAKNGLRSA-N 1 1 157.257 1.099 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1ccc2[nH]cnc2c1 259206156 573828390 /nfs/dbraw/zinc/82/83/90/573828390.db2.gz IMNSCDSLJSRZEI-JTQLQIEISA-N 1 1 189.218 1.152 10 0 ADAEMO C[NH2+][C@@H](C)n1ccc2cnccc21 258144601 573828455 /nfs/dbraw/zinc/82/84/55/573828455.db2.gz OYFRNZIFZBWKFE-MRVPVSSYSA-N 1 1 175.235 1.774 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)N 41053842 573828480 /nfs/dbraw/zinc/82/84/80/573828480.db2.gz AYLJKUDAAIGXDE-BBBLOLIVSA-N 1 1 172.316 1.698 10 0 ADAEMO CC(C)[NH2+]CCc1nnc(C(C)C)[nH]1 41058481 573828501 /nfs/dbraw/zinc/82/85/01/573828501.db2.gz DCSREODBHKOGTM-UHFFFAOYSA-N 1 1 196.298 1.469 10 0 ADAEMO CC(C)[NH2+]CCc1n[nH]c(C(C)C)n1 41058481 573828506 /nfs/dbraw/zinc/82/85/06/573828506.db2.gz DCSREODBHKOGTM-UHFFFAOYSA-N 1 1 196.298 1.469 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1c1nc(CO)co1 257886135 573828507 /nfs/dbraw/zinc/82/85/07/573828507.db2.gz ASDPECKLDIFMOL-SECBINFHSA-N 1 1 196.250 1.324 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1c1nc(CO)co1 257886135 573828512 /nfs/dbraw/zinc/82/85/12/573828512.db2.gz ASDPECKLDIFMOL-SECBINFHSA-N 1 1 196.250 1.324 10 0 ADAEMO CCC[N@@H+](C)[C@](C)(CN)C(C)C 41053613 573828589 /nfs/dbraw/zinc/82/85/89/573828589.db2.gz XYCPVKDEWQCGHO-SNVBAGLBSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC(CC)[N@@H+](C)[C@@H](C)C(N)=S 43514087 573828610 /nfs/dbraw/zinc/82/86/10/573828610.db2.gz KJPVJDSCZCANEQ-ZETCQYMHSA-N 1 1 188.340 1.781 10 0 ADAEMO CCCC[C@@H]([NH2+]CC)C(=O)OCC 41053355 573828626 /nfs/dbraw/zinc/82/86/26/573828626.db2.gz YATMJNWFASDTIA-SECBINFHSA-N 1 1 187.283 1.718 10 0 ADAEMO [NH3+]CCc1ncc([C@@H]2CCCS2)[nH]1 258150967 573828668 /nfs/dbraw/zinc/82/86/68/573828668.db2.gz RZKRPCYYRSKWHD-QMMMGPOBSA-N 1 1 197.307 1.479 10 0 ADAEMO CC(C)[C@@](C)(CN)[N@@H+](C)C1CC1 41053598 573828680 /nfs/dbraw/zinc/82/86/80/573828680.db2.gz UQIXLXFSAVIEFT-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[C@@](C)(C[NH3+])N(C)C1CC1 41053598 573828685 /nfs/dbraw/zinc/82/86/85/573828685.db2.gz UQIXLXFSAVIEFT-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO CCC[N@@H+](CCN)[C@H](C)CC 41056539 573828804 /nfs/dbraw/zinc/82/88/04/573828804.db2.gz BDBFEWLWOBERHM-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CC[C@@H]([NH3+])[C@H](C)N(C)C1CCC1 127344148 573828877 /nfs/dbraw/zinc/82/88/77/573828877.db2.gz LSZLPHSTTVRESZ-WCBMZHEXSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@@H](N)[C@H](C)[N@@H+](C)C1CCC1 127344148 573828869 /nfs/dbraw/zinc/82/88/69/573828869.db2.gz LSZLPHSTTVRESZ-WCBMZHEXSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]1CCCC[N@@H+]1[C@@H](C)[C@@H](C)N 41053718 573828929 /nfs/dbraw/zinc/82/89/29/573828929.db2.gz HJCAWSCEXVFFAK-AEJSXWLSSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]1CCCCN1[C@@H](C)[C@@H](C)[NH3+] 41053718 573828932 /nfs/dbraw/zinc/82/89/32/573828932.db2.gz HJCAWSCEXVFFAK-AEJSXWLSSA-N 1 1 170.300 1.597 10 0 ADAEMO CCCC[N@@H+](CCN)C(C)C 41056296 573828952 /nfs/dbraw/zinc/82/89/52/573828952.db2.gz KMXMEPRKPGRYGO-UHFFFAOYSA-N 1 1 158.289 1.456 10 0 ADAEMO CCCCN(CC[NH3+])C(C)C 41056296 573828955 /nfs/dbraw/zinc/82/89/55/573828955.db2.gz KMXMEPRKPGRYGO-UHFFFAOYSA-N 1 1 158.289 1.456 10 0 ADAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1ccco1 43514046 573828979 /nfs/dbraw/zinc/82/89/79/573828979.db2.gz UVYFQJXKYNYWHL-SSDOTTSWSA-N 1 1 198.291 1.386 10 0 ADAEMO CCC[N@@H+](CC)[C@@H](C)[C@@H](C)N 41053796 573828995 /nfs/dbraw/zinc/82/89/95/573828995.db2.gz WXQHJFPNVZASTO-BDAKNGLRSA-N 1 1 158.289 1.454 10 0 ADAEMO CCCN(CC)[C@@H](C)[C@@H](C)[NH3+] 41053796 573829006 /nfs/dbraw/zinc/82/90/06/573829006.db2.gz WXQHJFPNVZASTO-BDAKNGLRSA-N 1 1 158.289 1.454 10 0 ADAEMO CC(C)C[N@@H+](C)[C@@](C)(CN)C(C)C 41053614 573829030 /nfs/dbraw/zinc/82/90/30/573829030.db2.gz SNCGKVZJXZTRRO-NSHDSACASA-N 1 1 186.343 1.948 10 0 ADAEMO CCOc1ccc2c(c1)NC(=O)[C@@H]2[NH3+] 109287099 573829033 /nfs/dbraw/zinc/82/90/33/573829033.db2.gz VQBYPXLAGLBAIY-SECBINFHSA-N 1 1 192.218 1.037 10 0 ADAEMO CCCC[N@H+](C)[C@@H](C)OC(=O)OC 308446585 573829113 /nfs/dbraw/zinc/82/91/13/573829113.db2.gz BLDRQPVFGZEYIY-MRVPVSSYSA-N 1 1 189.255 1.847 10 0 ADAEMO CCCC[N@@H+](C)[C@@H](C)OC(=O)OC 308446585 573829116 /nfs/dbraw/zinc/82/91/16/573829116.db2.gz BLDRQPVFGZEYIY-MRVPVSSYSA-N 1 1 189.255 1.847 10 0 ADAEMO CC[C@H](C)[C@]1(O)CC[N@@H+](C)C1 84329253 573829133 /nfs/dbraw/zinc/82/91/33/573829133.db2.gz QKVGJJLWFLGNRG-IUCAKERBSA-N 1 1 157.257 1.099 10 0 ADAEMO COCC[N@@H+](CC[C@@H](C)O)C(C)C 131405171 573829251 /nfs/dbraw/zinc/82/92/51/573829251.db2.gz LVUBTBMWSHBZPS-SNVBAGLBSA-N 1 1 189.299 1.114 10 0 ADAEMO [NH3+]CCc1ncc([C@H]2CCCS2)[nH]1 258150966 573829274 /nfs/dbraw/zinc/82/92/74/573829274.db2.gz RZKRPCYYRSKWHD-MRVPVSSYSA-N 1 1 197.307 1.479 10 0 ADAEMO N[C@H](c1cccc(F)c1)[C@H]1CC[NH2+]C1 257886419 573829298 /nfs/dbraw/zinc/82/92/98/573829298.db2.gz WGKLNNQXJJHSMF-GXSJLCMTSA-N 1 1 194.253 1.435 10 0 ADAEMO CCc1[nH+]cc2n1CCC[C@H]2CO 258153532 573834458 /nfs/dbraw/zinc/83/44/58/573834458.db2.gz HWQKEKWDQMBOOO-QMMMGPOBSA-N 1 1 180.251 1.315 10 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/nfs/dbraw/zinc/83/28/93/573832893.db2.gz QKGWTOJJCCRUIH-SSDOTTSWSA-N 1 1 197.307 1.683 10 0 ADAEMO Cc1cc(F)cc2[nH]c(CC[NH3+])nc12 238531818 573832957 /nfs/dbraw/zinc/83/29/57/573832957.db2.gz YRXXULBXXJLLQB-UHFFFAOYSA-N 1 1 193.225 1.512 10 0 ADAEMO Cc1cccc2c[nH+]c([C@H](C)O)n12 257887238 573834463 /nfs/dbraw/zinc/83/44/63/573834463.db2.gz MSXHIQZWIRJUNS-QMMMGPOBSA-N 1 1 176.219 1.696 10 0 ADAEMO CCc1[nH+]ccn1[C@@H](CC)C(N)=S 43541107 573833069 /nfs/dbraw/zinc/83/30/69/573833069.db2.gz QKGWTOJJCCRUIH-ZETCQYMHSA-N 1 1 197.307 1.683 10 0 ADAEMO Cc1oc(C[NH3+])nc1C(F)(F)F 257886312 573833096 /nfs/dbraw/zinc/83/30/96/573833096.db2.gz MRVXSJFZTBPHAC-UHFFFAOYSA-N 1 1 180.129 1.461 10 0 ADAEMO CN[C@H]([NH3+])c1cccc(F)c1 259207166 573833124 /nfs/dbraw/zinc/83/31/24/573833124.db2.gz DSBHYYKPLLXIGV-QMMMGPOBSA-N 1 1 154.188 1.002 10 0 ADAEMO CN[C@@H]([NH3+])c1cccc(F)c1 259207163 573833210 /nfs/dbraw/zinc/83/32/10/573833210.db2.gz DSBHYYKPLLXIGV-MRVPVSSYSA-N 1 1 154.188 1.002 10 0 ADAEMO Cc1ccc2c([nH+]c(C)n2C)c1N 238531917 573833457 /nfs/dbraw/zinc/83/34/57/573833457.db2.gz UEYCAXPGHSOYOS-UHFFFAOYSA-N 1 1 175.235 1.772 10 0 ADAEMO N[C@H](c1cccc(F)c1)[C@@H]1CC[NH2+]C1 257886424 573833468 /nfs/dbraw/zinc/83/34/68/573833468.db2.gz WGKLNNQXJJHSMF-MWLCHTKSSA-N 1 1 194.253 1.435 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1[C@H](C)C1C[NH2+]C1 686255499 573833624 /nfs/dbraw/zinc/83/36/24/573833624.db2.gz MJUBVWODQWAFKP-RKDXNWHRSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[C@H](C)[C@@]1(O)CCC[N@@H+](C)C1 84332081 573833641 /nfs/dbraw/zinc/83/36/41/573833641.db2.gz JNVCDBAFRJRRGI-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@@H](C1C[NH2+]C1)[N@H+]1CCC[C@H]1C 686255496 573833693 /nfs/dbraw/zinc/83/36/93/573833693.db2.gz MJUBVWODQWAFKP-BDAKNGLRSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[C@H](CCN(C)C)[NH2+]C1CC1 84331972 573833715 /nfs/dbraw/zinc/83/37/15/573833715.db2.gz IWXSOYLVFXLIEV-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO Cc1[nH]c([C@@H]2CCCO2)nc1CC[NH3+] 258153432 573833797 /nfs/dbraw/zinc/83/37/97/573833797.db2.gz SFYJBRUADOPQJY-VIFPVBQESA-N 1 1 195.266 1.071 10 0 ADAEMO C[NH2+][C@H](C(=O)OC)C1CCC(C)CC1 84339624 573833805 /nfs/dbraw/zinc/83/38/05/573833805.db2.gz YBJPGUVVDCTZDQ-RTBKNWGFSA-N 1 1 199.294 1.574 10 0 ADAEMO CN[C@H]([NH3+])c1ccc(OC)c(F)c1 259206963 573833823 /nfs/dbraw/zinc/83/38/23/573833823.db2.gz GGGJYYJXJKBNFK-VIFPVBQESA-N 1 1 184.214 1.011 10 0 ADAEMO C[C@H]1CCC[N@@H+]1[C@@H](C)C1C[NH2+]C1 686255498 573833829 /nfs/dbraw/zinc/83/38/29/573833829.db2.gz MJUBVWODQWAFKP-IUCAKERBSA-N 1 1 168.284 1.079 10 0 ADAEMO CC1CCC([C@H](C[NH3+])N(C)C)CC1 84339248 573833835 /nfs/dbraw/zinc/83/38/35/573833835.db2.gz WYKATVNJZXAMHW-ILDUYXDCSA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@H](C)[C@]1(O)CCC[N@@H+](C)C1 84332079 573833920 /nfs/dbraw/zinc/83/39/20/573833920.db2.gz JNVCDBAFRJRRGI-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO C1CCC(c2nc3c(o2)CC[NH2+]C3)C1 258517815 573833923 /nfs/dbraw/zinc/83/39/23/573833923.db2.gz DTWXKCGCPOAIMG-UHFFFAOYSA-N 1 1 192.262 1.978 10 0 ADAEMO CCc1[nH+]cc2n1CCC[C@@H]2CO 258153529 573833979 /nfs/dbraw/zinc/83/39/79/573833979.db2.gz HWQKEKWDQMBOOO-MRVPVSSYSA-N 1 1 180.251 1.315 10 0 ADAEMO Cc1cc(F)cc2[nH]c(N)[nH+]c12 238531914 573834008 /nfs/dbraw/zinc/83/40/08/573834008.db2.gz SGRXNYQMOFDOMN-UHFFFAOYSA-N 1 1 165.171 1.593 10 0 ADAEMO C[C@@H]([NH3+])c1nc([C@]2(C)CCCO2)no1 87226446 573834138 /nfs/dbraw/zinc/83/41/38/573834138.db2.gz PHOSRWPQJMWLFC-MUWHJKNJSA-N 1 1 197.238 1.115 10 0 ADAEMO N[C@H](C[NH2+]C1CC1)C1CCCCC1 258153670 573834194 /nfs/dbraw/zinc/83/41/94/573834194.db2.gz HIBHCLGGYAAAKG-LLVKDONJSA-N 1 1 182.311 1.646 10 0 ADAEMO [NH3+][C@H](CNC1CC1)C1CCCCC1 258153670 573834200 /nfs/dbraw/zinc/83/42/00/573834200.db2.gz HIBHCLGGYAAAKG-LLVKDONJSA-N 1 1 182.311 1.646 10 0 ADAEMO Cc1nnc([C@H]2CCCCC[C@@H]2[NH3+])[nH]1 87221463 573834350 /nfs/dbraw/zinc/83/43/50/573834350.db2.gz RTJAZHHSIAOIMN-IUCAKERBSA-N 1 1 194.282 1.488 10 0 ADAEMO Cc1nc([C@H]2CCCCC[C@@H]2[NH3+])n[nH]1 87221463 573834354 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Cc1cccc2nc(C3C[NH2+]C3)[nH]c12 238531904 573836204 /nfs/dbraw/zinc/83/62/04/573836204.db2.gz GGPVNOYJBUNIKU-UHFFFAOYSA-N 1 1 187.246 1.558 10 0 ADAEMO N[C@H](C[NH2+]CCCC1CC1)CC1CC1 308447971 573836346 /nfs/dbraw/zinc/83/63/46/573836346.db2.gz BIPIEJPVJOXXLZ-LBPRGKRZSA-N 1 1 196.338 1.894 10 0 ADAEMO CCCC[N@H+](C1CC1)[C@H](C)C1C[NH2+]C1 686255694 573836527 /nfs/dbraw/zinc/83/65/27/573836527.db2.gz QYIHZPLOTAGPSG-SNVBAGLBSA-N 1 1 196.338 1.859 10 0 ADAEMO CCc1ccc([C@H](N)C2C[NH2+]C2)cc1 259207237 573836534 /nfs/dbraw/zinc/83/65/34/573836534.db2.gz GHVSCHCENCPKSA-LBPRGKRZSA-N 1 1 190.290 1.468 10 0 ADAEMO CC(C)C[C@]1(O)CCC[N@@H+](C)C1 84332076 573836604 /nfs/dbraw/zinc/83/66/04/573836604.db2.gz WLTIOKKINBTAAR-SNVBAGLBSA-N 1 1 171.284 1.489 10 0 ADAEMO CC(C)C[C@H]1[NH2+]CCc2nc(N)[nH]c21 238154807 573836644 /nfs/dbraw/zinc/83/66/44/573836644.db2.gz GKJUDYAKERWHFN-MRVPVSSYSA-N 1 1 194.282 1.225 10 0 ADAEMO Cc1ccccc1[C@@H](N)C(C)(C)C[NH3+] 259575284 573836767 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1.670 10 0 ADAEMO COC(=O)[C@@H](C)[NH2+]CCC1CCCC1 43627179 573852031 /nfs/dbraw/zinc/85/20/31/573852031.db2.gz AGBMAZIGXLDDPG-SECBINFHSA-N 1 1 199.294 1.718 10 0 ADAEMO CC1(O)C[NH+](CCc2cccs2)C1 84357156 573852083 /nfs/dbraw/zinc/85/20/83/573852083.db2.gz JKLHFYWBAQMKOP-UHFFFAOYSA-N 1 1 197.303 1.357 10 0 ADAEMO CC1(C)CC[N@@H+]([C@H]2CCCNC2)C1 87254592 573852134 /nfs/dbraw/zinc/85/21/34/573852134.db2.gz LOYBJDQNLIIGDH-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CC1(C)CC[N@H+]([C@H]2CCCNC2)C1 87254592 573852144 /nfs/dbraw/zinc/85/21/44/573852144.db2.gz LOYBJDQNLIIGDH-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CCCC[N@H+](C1CC1)[C@@H](C)C(=O)OC 43628861 573852148 /nfs/dbraw/zinc/85/21/48/573852148.db2.gz NBROJOKOWLVUNP-VIFPVBQESA-N 1 1 199.294 1.812 10 0 ADAEMO C[N@@H+](CC1CCCC1)[C@@H]1CC[C@@H]1O 585297926 573852167 /nfs/dbraw/zinc/85/21/67/573852167.db2.gz MFUAFNKDSXUKNW-MNOVXSKESA-N 1 1 183.295 1.632 10 0 ADAEMO CC(C)c1cc(CCC2([NH3+])CC2)n[nH]1 257888665 573852194 /nfs/dbraw/zinc/85/21/94/573852194.db2.gz WRYPQIDTAOJZNV-UHFFFAOYSA-N 1 1 193.294 1.957 10 0 ADAEMO C[C@]1(C[NH+]2CCC(=O)CC2)CCCO1 87254414 573852202 /nfs/dbraw/zinc/85/22/02/573852202.db2.gz XRRNSLWWDKDECQ-LLVKDONJSA-N 1 1 197.278 1.220 10 0 ADAEMO CC1(C)CC[N@H+]([C@H]2CCC(=O)C2)C1 87256837 573852218 /nfs/dbraw/zinc/85/22/18/573852218.db2.gz UMFMQDBILJXJTB-VIFPVBQESA-N 1 1 181.279 1.840 10 0 ADAEMO C[C@@H]([C@@H](C)O)[N@H+]1CCC(C)(C)C1 87257439 573852230 /nfs/dbraw/zinc/85/22/30/573852230.db2.gz WIHGOXHNNHZJCL-DTWKUNHWSA-N 1 1 171.284 1.488 10 0 ADAEMO CC1=NN(C(C)(C)C)C(=O)C1CC[NH3+] 257889900 573852238 /nfs/dbraw/zinc/85/22/38/573852238.db2.gz KYLMJBJJHWVZGZ-UHFFFAOYSA-N 1 1 197.282 1.153 10 0 ADAEMO Cc1[nH]n(C(C)(C)C)c(=O)c1CC[NH3+] 257889900 573852243 /nfs/dbraw/zinc/85/22/43/573852243.db2.gz KYLMJBJJHWVZGZ-UHFFFAOYSA-N 1 1 197.282 1.153 10 0 ADAEMO CCc1[nH+]ccn1[C@@H](C)C(=O)OC 43627512 573852296 /nfs/dbraw/zinc/85/22/96/573852296.db2.gz VBNWWHHGRPPTFT-ZETCQYMHSA-N 1 1 182.223 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184.327 1.702 10 0 ADAEMO CC1(C)CC[N@@H+](C[C@@H](O)C2CC2)C1 87257910 573853490 /nfs/dbraw/zinc/85/34/90/573853490.db2.gz WINXYVXEKLEUAZ-SNVBAGLBSA-N 1 1 183.295 1.489 10 0 ADAEMO CC[C@@H](O)[C@H](C)[N@H+]1CCC(C)(C)C1 87257890 573853521 /nfs/dbraw/zinc/85/35/21/573853521.db2.gz WIYODPNPIAIUOX-VHSXEESVSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[C@@H](O)[C@@H](C)[N@H+]1CCC(C)(C)C1 87257886 573853535 /nfs/dbraw/zinc/85/35/35/573853535.db2.gz WIYODPNPIAIUOX-NXEZZACHSA-N 1 1 185.311 1.878 10 0 ADAEMO CC(C)([NH3+])c1ccc(O)c(F)c1F 238154063 573853655 /nfs/dbraw/zinc/85/36/55/573853655.db2.gz LRKUFGFVGZMZOS-UHFFFAOYSA-N 1 1 187.189 1.864 10 0 ADAEMO CC1(C)CNCC[N@H+](C2CCC2)C1 258154235 573853666 /nfs/dbraw/zinc/85/36/66/573853666.db2.gz NITBIYVDBJHRIA-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO CC1(C)C[NH2+]CCN(C2CCC2)C1 258154235 573853671 /nfs/dbraw/zinc/85/36/71/573853671.db2.gz NITBIYVDBJHRIA-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO CCC[N@@H+](C)[C@H](C)CC(=O)OCC 43622717 573853675 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180.251 1.374 10 0 ADAEMO Cc1n[nH]c2c1[C@H](C(C)C)[NH2+]CC2 238168418 573860396 /nfs/dbraw/zinc/86/03/96/573860396.db2.gz UEQQCHILJRPRHV-JTQLQIEISA-N 1 1 179.267 1.561 10 0 ADAEMO c1c[nH+]c2c(c1)NC[C@]1(CCOC1)N2 87262657 573860444 /nfs/dbraw/zinc/86/04/44/573860444.db2.gz CPZKLOCYNQRFCK-JTQLQIEISA-N 1 1 191.234 1.078 10 0 ADAEMO C[C@H]1CNc2ccc[nH+]c2NC1 87261496 573860528 /nfs/dbraw/zinc/86/05/28/573860528.db2.gz JKWWQESTOCNQOC-ZETCQYMHSA-N 1 1 163.224 1.555 10 0 ADAEMO CC[C@@H]([NH3+])[C@@H]1CCCCN1C 84329085 573860559 /nfs/dbraw/zinc/86/05/59/573860559.db2.gz OZOUPUPDKZFIQY-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@H](N)[C@@H]1CCCC[N@@H+]1C 84329085 573860563 /nfs/dbraw/zinc/86/05/63/573860563.db2.gz OZOUPUPDKZFIQY-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@H](N)[C@@H]1CCCC[N@H+]1C 84329085 573860568 /nfs/dbraw/zinc/86/05/68/573860568.db2.gz OZOUPUPDKZFIQY-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO c1c[nH+]c2c(c1)NC[C@@H](C1CC1)N2 87262410 573860600 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190.290 1.399 10 0 ADAEMO COC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1C1CC1 257890773 573862861 /nfs/dbraw/zinc/86/28/61/573862861.db2.gz XBKKGTRTWQDELR-ZJUUUORDSA-N 1 1 197.278 1.137 10 0 ADAEMO CCC1([C@H]([NH3+])c2noc(C)n2)CCC1 686133059 573863064 /nfs/dbraw/zinc/86/30/64/573863064.db2.gz NKMHJWDVRCMFNW-MRVPVSSYSA-N 1 1 195.266 1.958 10 0 ADAEMO C[NH2+][C@H](C)c1nncc(C(C)(C)C)n1 257890749 573863066 /nfs/dbraw/zinc/86/30/66/573863066.db2.gz XAYPZPWVSVTXAS-SSDOTTSWSA-N 1 1 194.282 1.450 10 0 ADAEMO CC(C)C(=[NH2+])N1C[C@@H](C)[C@@H](N(C)C)C1 125295369 573863092 /nfs/dbraw/zinc/86/30/92/573863092.db2.gz HEUQHADEHOYLGY-ZJUUUORDSA-N 1 1 197.326 1.502 10 0 ADAEMO CN[C@@H](C[C@H](C)[NH3+])c1ccc(F)cc1 259214565 573863284 /nfs/dbraw/zinc/86/32/84/573863284.db2.gz DYBKXRQJMGKGOU-KWQFWETISA-N 1 1 196.269 1.824 10 0 ADAEMO Cc1[nH+]c(N)c(C(F)F)cc1O 238546765 573863286 /nfs/dbraw/zinc/86/32/86/573863286.db2.gz FOVIZZBKFSQRKG-UHFFFAOYSA-N 1 1 174.150 1.615 10 0 ADAEMO C[N@H+]1CCC[C@](O)(C(C)(C)C)CC1 84375377 573863294 /nfs/dbraw/zinc/86/32/94/573863294.db2.gz KYKWHEHZCIJLKE-LLVKDONJSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC1([C@@H]([NH3+])c2noc(C)n2)CCC1 686133060 573863482 /nfs/dbraw/zinc/86/34/82/573863482.db2.gz NKMHJWDVRCMFNW-QMMMGPOBSA-N 1 1 195.266 1.958 10 0 ADAEMO CN1CCC[C@H]1[C@H]([NH3+])C1CCCC1 84343762 573863501 /nfs/dbraw/zinc/86/35/01/573863501.db2.gz FFZREMAYOZHTEC-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@@H+]1CCC[C@H]1[C@H](N)C1CCCC1 84343762 573863508 /nfs/dbraw/zinc/86/35/08/573863508.db2.gz FFZREMAYOZHTEC-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@H](N)C1CCCC1 84343762 573863514 /nfs/dbraw/zinc/86/35/14/573863514.db2.gz FFZREMAYOZHTEC-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CCC[C@@](O)(C(C)(C)C)CC1 84375376 573863829 /nfs/dbraw/zinc/86/38/29/573863829.db2.gz KYKWHEHZCIJLKE-NSHDSACASA-N 1 1 185.311 1.879 10 0 ADAEMO C[N@@H+]1CC[C@@H]([C@H](N)c2cccs2)C1 84360058 573863830 /nfs/dbraw/zinc/86/38/30/573863830.db2.gz LWAGOAIBMVURJC-SCZZXKLOSA-N 1 1 196.319 1.700 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@H](N)c2cccs2)C1 84360058 573863841 /nfs/dbraw/zinc/86/38/41/573863841.db2.gz LWAGOAIBMVURJC-SCZZXKLOSA-N 1 1 196.319 1.700 10 0 ADAEMO CN1CC[C@@H]([C@H]([NH3+])c2cccs2)C1 84360058 573863844 /nfs/dbraw/zinc/86/38/44/573863844.db2.gz LWAGOAIBMVURJC-SCZZXKLOSA-N 1 1 196.319 1.700 10 0 ADAEMO C[N@H+]1CCC[C@@H](c2cc(C=O)no2)C1 258439640 573867541 /nfs/dbraw/zinc/86/75/41/573867541.db2.gz GJIZACGJGYOURY-MRVPVSSYSA-N 1 1 194.234 1.296 10 0 ADAEMO CC(C)C[C@@H]1[NH2+]CCc2nc(N)[nH]c21 238161649 573867557 /nfs/dbraw/zinc/86/75/57/573867557.db2.gz GKJUDYAKERWHFN-QMMMGPOBSA-N 1 1 194.282 1.225 10 0 ADAEMO CC(C)Cc1nc2c(s1)C[NH2+]C2 84343602 573867445 /nfs/dbraw/zinc/86/74/45/573867445.db2.gz XNOGJWUDFDQUKB-UHFFFAOYSA-N 1 1 182.292 1.945 10 0 ADAEMO CC(C)c1nnc(C[C@@H]2CC[NH2+]C2)[nH]1 84381184 573867600 /nfs/dbraw/zinc/86/76/00/573867600.db2.gz HEORCCBINSAHIS-QMMMGPOBSA-N 1 1 194.282 1.080 10 0 ADAEMO CC(C)c1nc(C[C@@H]2CC[NH2+]C2)n[nH]1 84381184 573867604 /nfs/dbraw/zinc/86/76/04/573867604.db2.gz HEORCCBINSAHIS-QMMMGPOBSA-N 1 1 194.282 1.080 10 0 ADAEMO C[NH2+][C@@H](C[N@H+]1CC[C@@H](C)C1)C(C)(C)C 43908029 573867655 /nfs/dbraw/zinc/86/76/55/573867655.db2.gz ACQKWNQGXUYMRL-MNOVXSKESA-N 1 1 198.354 1.962 10 0 ADAEMO C[NH2+][C@@H](CN1CC[C@@H](C)C1)C(C)(C)C 43908029 573867663 /nfs/dbraw/zinc/86/76/63/573867663.db2.gz ACQKWNQGXUYMRL-MNOVXSKESA-N 1 1 198.354 1.962 10 0 ADAEMO Cc1[nH+]c(N)cc(C(F)F)c1CO 238549266 573867822 /nfs/dbraw/zinc/86/78/22/573867822.db2.gz BQINIMKXABHKFI-UHFFFAOYSA-N 1 1 188.177 1.402 10 0 ADAEMO C[N@H+]1C[C@@H](C(C)(C)C)C[C@@H]1CN 258440947 573867859 /nfs/dbraw/zinc/86/78/59/573867859.db2.gz FBICTGKAIZVMLG-DTWKUNHWSA-N 1 1 170.300 1.312 10 0 ADAEMO Cc1cc(O)c(C(=O)C[NH3+])c(Cl)c1 214998329 573867933 /nfs/dbraw/zinc/86/79/33/573867933.db2.gz JZEFLSQTKGFGLK-UHFFFAOYSA-N 1 1 199.637 1.495 10 0 ADAEMO C[N@@H+]1CCC[C@](N)(c2cccs2)C1 84360019 573867994 /nfs/dbraw/zinc/86/79/94/573867994.db2.gz YDKWQRDCLSXYRG-SNVBAGLBSA-N 1 1 196.319 1.628 10 0 ADAEMO CC[C@H](C)[N@@H+](C)CC[C@@H](C)[NH2+]C 43887388 573867997 /nfs/dbraw/zinc/86/79/97/573867997.db2.gz VLVZSRNESCVLQS-ZJUUUORDSA-N 1 1 172.316 1.715 10 0 ADAEMO C[N@H+]1CCC[C@](N)(c2cccs2)C1 84360019 573868000 /nfs/dbraw/zinc/86/80/00/573868000.db2.gz YDKWQRDCLSXYRG-SNVBAGLBSA-N 1 1 196.319 1.628 10 0 ADAEMO CCC[NH+](CCC)C[C@H](C)NC 43814676 573868032 /nfs/dbraw/zinc/86/80/32/573868032.db2.gz PGDMAKUAGBKJRW-JTQLQIEISA-N 1 1 172.316 1.716 10 0 ADAEMO CC(C)c1nnc(C[C@H]2CC[NH2+]C2)[nH]1 84381186 573868036 /nfs/dbraw/zinc/86/80/36/573868036.db2.gz HEORCCBINSAHIS-MRVPVSSYSA-N 1 1 194.282 1.080 10 0 ADAEMO CC(C)c1nc(C[C@H]2CC[NH2+]C2)n[nH]1 84381186 573868043 /nfs/dbraw/zinc/86/80/43/573868043.db2.gz HEORCCBINSAHIS-MRVPVSSYSA-N 1 1 194.282 1.080 10 0 ADAEMO Cc1ccc(O)c(C(=O)C[NH3+])c1Cl 214998403 573868054 /nfs/dbraw/zinc/86/80/54/573868054.db2.gz KWYCZCRJMCYQDG-UHFFFAOYSA-N 1 1 199.637 1.495 10 0 ADAEMO CCCc1[nH]ncc1C1([NH3+])CC1 258440636 573868197 /nfs/dbraw/zinc/86/81/97/573868197.db2.gz DXUBPVBEGLQKQK-UHFFFAOYSA-N 1 1 165.240 1.310 10 0 ADAEMO CCOC[C@H]([NH2+]C)c1ncccc1F 131516825 573868291 /nfs/dbraw/zinc/86/82/91/573868291.db2.gz REPJFRSVYWQVAV-VIFPVBQESA-N 1 1 198.241 1.518 10 0 ADAEMO CC(C)NC1=[NH+][C@@H]2CCCC[C@H]2O1 238162337 573868719 /nfs/dbraw/zinc/86/87/19/573868719.db2.gz QAGDWEZVIIKDHS-RKDXNWHRSA-N 1 1 182.267 1.682 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@H](N)c2cncs2)C1 84361519 573868743 /nfs/dbraw/zinc/86/87/43/573868743.db2.gz SIMOLLHQRIOALS-APPZFPTMSA-N 1 1 197.307 1.095 10 0 ADAEMO CN1CC[C@@H]([C@H]([NH3+])c2cncs2)C1 84361519 573868746 /nfs/dbraw/zinc/86/87/46/573868746.db2.gz SIMOLLHQRIOALS-APPZFPTMSA-N 1 1 197.307 1.095 10 0 ADAEMO NCc1nc(C2CC[NH2+]CC2)cs1 258165383 573868879 /nfs/dbraw/zinc/86/88/79/573868879.db2.gz TXBCAPHSBPOSGN-UHFFFAOYSA-N 1 1 197.307 1.069 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)CC[C@@H](C)[NH2+]C 43887386 573868889 /nfs/dbraw/zinc/86/88/89/573868889.db2.gz VLVZSRNESCVLQS-NXEZZACHSA-N 1 1 172.316 1.715 10 0 ADAEMO CN[C@H](CC(C)(C)[NH3+])c1ccncc1 259214969 573868953 /nfs/dbraw/zinc/86/89/53/573868953.db2.gz FWDRYSMHTSKFBD-SNVBAGLBSA-N 1 1 193.294 1.470 10 0 ADAEMO CC(C)NC1=[NH+][C@@H]2CCCC[C@@H]2O1 238162310 573869064 /nfs/dbraw/zinc/86/90/64/573869064.db2.gz QAGDWEZVIIKDHS-BDAKNGLRSA-N 1 1 182.267 1.682 10 0 ADAEMO CC(C)NC1=[NH+][C@H]2CCCC[C@H]2O1 238162393 573869118 /nfs/dbraw/zinc/86/91/18/573869118.db2.gz QAGDWEZVIIKDHS-DTWKUNHWSA-N 1 1 182.267 1.682 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1c1cc(CN)no1 258439585 573869163 /nfs/dbraw/zinc/86/91/63/573869163.db2.gz GIPCFNYXIDPPNG-SECBINFHSA-N 1 1 195.266 1.290 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1c1cc(CN)no1 258439585 573869167 /nfs/dbraw/zinc/86/91/67/573869167.db2.gz GIPCFNYXIDPPNG-SECBINFHSA-N 1 1 195.266 1.290 10 0 ADAEMO CNOC[C@@H]1CCCC[N@H+]1C(C)C 257889761 573869187 /nfs/dbraw/zinc/86/91/87/573869187.db2.gz GKWVBLVYMZLYNM-JTQLQIEISA-N 1 1 186.299 1.400 10 0 ADAEMO [NH3+]CCC(=O)c1ccc(Cl)c(O)c1 214997873 573869271 /nfs/dbraw/zinc/86/92/71/573869271.db2.gz JIBOOUTUFAOMBL-UHFFFAOYSA-N 1 1 199.637 1.577 10 0 ADAEMO C[N@H+]1CCC[C@H](c2cc(C=O)no2)C1 258439642 573869280 /nfs/dbraw/zinc/86/92/80/573869280.db2.gz GJIZACGJGYOURY-QMMMGPOBSA-N 1 1 194.234 1.296 10 0 ADAEMO OCCc1[nH+]cc2c(Cl)cccn12 257889707 573869282 /nfs/dbraw/zinc/86/92/82/573869282.db2.gz WXSONAMVMZHGET-UHFFFAOYSA-N 1 1 196.637 1.523 10 0 ADAEMO C[NH2+][C@H](C)CC[N@H+]1CC[C@@H](C)C1 43908420 573869311 /nfs/dbraw/zinc/86/93/11/573869311.db2.gz GRZDRGKEIMUMLJ-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO Cc1ccc([C@H]2N[NH+]=C(N)S2)o1 238549775 573870953 /nfs/dbraw/zinc/87/09/53/573870953.db2.gz HVQGUZWDYKUKNP-LURJTMIESA-N 1 1 183.236 1.153 10 0 ADAEMO COC(=O)[C@]1(C(C)(C)C)CCCC[NH2+]1 258166802 573869549 /nfs/dbraw/zinc/86/95/49/573869549.db2.gz NYQBDFCSAVUVRH-NSHDSACASA-N 1 1 199.294 1.718 10 0 ADAEMO CC[N@@H+]1CCC[C@H]1c1cc(CN)no1 258439587 573869677 /nfs/dbraw/zinc/86/96/77/573869677.db2.gz GIPCFNYXIDPPNG-VIFPVBQESA-N 1 1 195.266 1.290 10 0 ADAEMO CC[N@H+]1CCC[C@H]1c1cc(CN)no1 258439587 573869684 /nfs/dbraw/zinc/86/96/84/573869684.db2.gz GIPCFNYXIDPPNG-VIFPVBQESA-N 1 1 195.266 1.290 10 0 ADAEMO CCOC[C@@H]([NH2+]C)c1ncccc1F 131517002 573869685 /nfs/dbraw/zinc/86/96/85/573869685.db2.gz REPJFRSVYWQVAV-SECBINFHSA-N 1 1 198.241 1.518 10 0 ADAEMO Cc1[nH+]c(N)ccc1C(F)F 238550141 573869770 /nfs/dbraw/zinc/86/97/70/573869770.db2.gz ILAYSDYAXVQCNS-UHFFFAOYSA-N 1 1 158.151 1.910 10 0 ADAEMO NC(=S)[C@@H]1CCCC[N@H+]1CC1CC1 79823289 573869776 /nfs/dbraw/zinc/86/97/76/573869776.db2.gz PDIOKFQXWOMLNF-VIFPVBQESA-N 1 1 198.335 1.537 10 0 ADAEMO Cc1ccc(Cl)c(C(=O)C[NH3+])c1O 214998466 573869799 /nfs/dbraw/zinc/86/97/99/573869799.db2.gz BEROCAXGAUDPHR-UHFFFAOYSA-N 1 1 199.637 1.495 10 0 ADAEMO CC[C@H]1CCC[N@H+]1CC[C@@H](C)[NH2+]C 43904364 573869811 /nfs/dbraw/zinc/86/98/11/573869811.db2.gz BBYIFSSCHGDQPU-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO Cc1cscc1-c1ncc(C[NH3+])[nH]1 87289119 573869814 /nfs/dbraw/zinc/86/98/14/573869814.db2.gz SFBZXCKYGAIFCX-UHFFFAOYSA-N 1 1 193.275 1.905 10 0 ADAEMO C[C@@H]([NH2+]C1COC1)c1ccoc1 87290528 573869882 /nfs/dbraw/zinc/86/98/82/573869882.db2.gz SEHXUFRQRKNQJX-SSDOTTSWSA-N 1 1 167.208 1.329 10 0 ADAEMO CCCC(=O)C[N@H+](CC)[C@@H]1CCOC1 308459489 573869901 /nfs/dbraw/zinc/86/99/01/573869901.db2.gz CTWDPVXNWIEZDV-SNVBAGLBSA-N 1 1 199.294 1.466 10 0 ADAEMO CCCC(=O)C[N@@H+](CC)[C@@H]1CCOC1 308459489 573869907 /nfs/dbraw/zinc/86/99/07/573869907.db2.gz CTWDPVXNWIEZDV-SNVBAGLBSA-N 1 1 199.294 1.466 10 0 ADAEMO CC[C@@H]([NH2+]C)[C@H](C)[N@H+]1CCC[C@@H]1C 43902499 573869939 /nfs/dbraw/zinc/86/99/39/573869939.db2.gz YJYLNULENJHDKY-GARJFASQSA-N 1 1 184.327 1.857 10 0 ADAEMO COC(=O)[C@@]1(C(C)(C)C)CCCC[NH2+]1 258166798 573869940 /nfs/dbraw/zinc/86/99/40/573869940.db2.gz NYQBDFCSAVUVRH-LLVKDONJSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[C@@H]([NH2+]C)[C@H](C)N1CCC[C@@H]1C 43902499 573869944 /nfs/dbraw/zinc/86/99/44/573869944.db2.gz YJYLNULENJHDKY-GARJFASQSA-N 1 1 184.327 1.857 10 0 ADAEMO NC(=S)[C@H]1CCCC[N@H+]1CC1CC1 79823292 573869976 /nfs/dbraw/zinc/86/99/76/573869976.db2.gz PDIOKFQXWOMLNF-SECBINFHSA-N 1 1 198.335 1.537 10 0 ADAEMO CC(C)CCC[N@@H+](C)CO 258976024 573870002 /nfs/dbraw/zinc/87/00/02/573870002.db2.gz VVYVNNXSDGJHPQ-UHFFFAOYSA-N 1 1 145.246 1.304 10 0 ADAEMO COCCC[C@@H](C)[N@@H+](C)C[C@@H](C)O 308459387 573870325 /nfs/dbraw/zinc/87/03/25/573870325.db2.gz GZXAVRXIWHOLQG-NXEZZACHSA-N 1 1 189.299 1.114 10 0 ADAEMO CC(C)(C)[C@@H]1C[NH2+]C2(CCCC2)N1 238161741 573870376 /nfs/dbraw/zinc/87/03/76/573870376.db2.gz YZHRJPCOONVRDN-VIFPVBQESA-N 1 1 182.311 1.864 10 0 ADAEMO COCCC[C@H](C)[N@@H+](C)C[C@@H](C)O 308459393 573870402 /nfs/dbraw/zinc/87/04/02/573870402.db2.gz GZXAVRXIWHOLQG-VHSXEESVSA-N 1 1 189.299 1.114 10 0 ADAEMO Cc1cc(N)[nH+]cc1OC(C)C 238163042 573870417 /nfs/dbraw/zinc/87/04/17/573870417.db2.gz PIYHSPZTDTUWAM-UHFFFAOYSA-N 1 1 166.224 1.759 10 0 ADAEMO CC(C)NC1=[NH+][C@H]2CCCC[C@@H]2O1 238162369 573870424 /nfs/dbraw/zinc/87/04/24/573870424.db2.gz QAGDWEZVIIKDHS-IUCAKERBSA-N 1 1 182.267 1.682 10 0 ADAEMO Cc1[nH+]c(N)ccc1OC1CCC1 238550565 573870561 /nfs/dbraw/zinc/87/05/61/573870561.db2.gz GDLANNHCZMFNJN-UHFFFAOYSA-N 1 1 178.235 1.904 10 0 ADAEMO Cc1c(O)cc(C(=O)C[NH3+])cc1Cl 214998046 573870575 /nfs/dbraw/zinc/87/05/75/573870575.db2.gz CYSOHVLODNRBIA-UHFFFAOYSA-N 1 1 199.637 1.495 10 0 ADAEMO CC[N@H+]1CCC[C@H](c2cc(N)no2)C1 259217051 573870598 /nfs/dbraw/zinc/87/05/98/573870598.db2.gz LPTRJCZMZDVIGF-QMMMGPOBSA-N 1 1 195.266 1.456 10 0 ADAEMO CC[C@H](C)NC[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 299899001 573870802 /nfs/dbraw/zinc/87/08/02/573870802.db2.gz WOUJVWAWVJHGEF-USZNOCQGSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@H]1C[N@@H+](CC)[C@H](CC)CN1 79983108 573871859 /nfs/dbraw/zinc/87/18/59/573871859.db2.gz KREOMYFGUJQVIP-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H]1CN(CC)[C@H](CC)C[NH2+]1 79983108 573871867 /nfs/dbraw/zinc/87/18/67/573871867.db2.gz KREOMYFGUJQVIP-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[N@@H+](C)C[C@H](O)CC1(C(C)=O)CC1 308458716 573871913 /nfs/dbraw/zinc/87/19/13/573871913.db2.gz CRBQFCSSOOBQRY-SNVBAGLBSA-N 1 1 199.294 1.058 10 0 ADAEMO O[C@@H]1CCc2c[nH+]c(C3CCC3)n2C1 258169099 573871934 /nfs/dbraw/zinc/87/19/34/573871934.db2.gz ILIJVDBLZHUKAA-SNVBAGLBSA-N 1 1 192.262 1.458 10 0 ADAEMO Cc1nc(N)ccc1C1CC[NH2+]CC1 238550176 573873272 /nfs/dbraw/zinc/87/32/72/573873272.db2.gz OZQUPPOYVXWQJK-UHFFFAOYSA-N 1 1 191.278 1.439 10 0 ADAEMO C[NH2+]CNCCC1CCCCC1 258976492 573873295 /nfs/dbraw/zinc/87/32/95/573873295.db2.gz XPKCIQXZVUYBJU-UHFFFAOYSA-N 1 1 170.300 1.723 10 0 ADAEMO Cc1cc(C)c(C)c([C@@H]([NH3+])NN)c1C 259216641 573873341 /nfs/dbraw/zinc/87/33/41/573873341.db2.gz DZOXMCFJIVWWQN-NSHDSACASA-N 1 1 193.294 1.341 10 0 ADAEMO OCCCc1cn2c([nH+]1)CCCC2 258441554 573873355 /nfs/dbraw/zinc/87/33/55/573873355.db2.gz PCUCEILYAWAYFV-UHFFFAOYSA-N 1 1 180.251 1.144 10 0 ADAEMO CN[C@@H](CC(C)(C)[NH3+])c1ccncc1 259214968 573873467 /nfs/dbraw/zinc/87/34/67/573873467.db2.gz 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184.327 1.844 10 0 ADAEMO CC[C@@H]1CCC[C@@H]1N(C)C[C@H](C)[NH3+] 393568949 573905218 /nfs/dbraw/zinc/90/52/18/573905218.db2.gz ZMCMBNDHSNHYDL-AXFHLTTASA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H](O)C(F)(F)C[C@H]1CCC[N@H+]1C 257904270 573905384 /nfs/dbraw/zinc/90/53/84/573905384.db2.gz ZGXLKWROYVNWJK-HTQZYQBOSA-N 1 1 193.237 1.487 10 0 ADAEMO C[C@H](O)[C@H](F)C[C@H]1CC[N@@H+](C)C1 257904046 573905448 /nfs/dbraw/zinc/90/54/48/573905448.db2.gz PKTVGCQYWSGQFB-DJLDLDEBSA-N 1 1 175.247 1.047 10 0 ADAEMO CCc1[nH+]cc2n1[C@@H](O)CCC2 258449675 573905484 /nfs/dbraw/zinc/90/54/84/573905484.db2.gz WVFGUWAOHFDPSI-VIFPVBQESA-N 1 1 166.224 1.273 10 0 ADAEMO CC(C)[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CN1C 238191750 573905649 /nfs/dbraw/zinc/90/56/49/573905649.db2.gz RPZYTJWJAZOYHJ-OUAUKWLOSA-N 1 1 182.311 1.325 10 0 ADAEMO Nc1ccsc1C[NH+]1CCOCC1 74237311 573905772 /nfs/dbraw/zinc/90/57/72/573905772.db2.gz GAOPDUKJQDNFTF-UHFFFAOYSA-N 1 1 198.291 1.163 10 0 ADAEMO CC[N@@H+]1CC=C(CCCO)CC1 258177630 573905803 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CC[C@]1(C)CN(C)[C@H](C2CC2)C[NH2+]1 84859670 573921813 /nfs/dbraw/zinc/92/18/13/573921813.db2.gz XRWJNGKAXGRXSS-WDEREUQCSA-N 1 1 182.311 1.469 10 0 ADAEMO CN[C@@H]([NH3+])c1cc(F)ccc1OC 259238820 573919855 /nfs/dbraw/zinc/91/98/55/573919855.db2.gz HQFWJHGCWZLWFR-SECBINFHSA-N 1 1 184.214 1.011 10 0 ADAEMO CCC(C)(C)OC(=O)[C@H](C)[NH3+] 238186651 573920044 /nfs/dbraw/zinc/92/00/44/573920044.db2.gz WUNJARMXNJNZBQ-LURJTMIESA-N 1 1 159.229 1.065 10 0 ADAEMO CC(C)OC(=O)[C@@H]1CCCCC[NH2+]1 80989678 573920141 /nfs/dbraw/zinc/92/01/41/573920141.db2.gz CVEASYHRVIZBEX-VIFPVBQESA-N 1 1 185.267 1.470 10 0 ADAEMO C[N@@H+]1C[C@H](C2CC2)NCC1(C)C 84859694 573921987 /nfs/dbraw/zinc/92/19/87/573921987.db2.gz AOXLPXQQMGCCCX-SECBINFHSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1CN(CC2(C)CCC2)CCC[NH2+]1 235664132 573921154 /nfs/dbraw/zinc/92/11/54/573921154.db2.gz XOSYZMQBQIRFKO-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H](CO)C[N@@H+](C)CC(C)C 259005403 573921156 /nfs/dbraw/zinc/92/11/56/573921156.db2.gz OGBHTVLMMRJGRF-JTQLQIEISA-N 1 1 173.300 1.593 10 0 ADAEMO C[N@H+]1C[C@H](C2CC2)NCC1(C)C 84859694 573921994 /nfs/dbraw/zinc/92/19/94/573921994.db2.gz AOXLPXQQMGCCCX-SECBINFHSA-N 1 1 168.284 1.079 10 0 ADAEMO COC(=O)[C@@H]([NH3+])CCC1CCC1 259006653 573921211 /nfs/dbraw/zinc/92/12/11/573921211.db2.gz HIISRNPJQBQJAJ-QMMMGPOBSA-N 1 1 171.240 1.067 10 0 ADAEMO COC(=O)C(C)(C)C[N@@H+](C)C1CCC1 127580733 573921375 /nfs/dbraw/zinc/92/13/75/573921375.db2.gz NUWPJEXXOCHQBR-UHFFFAOYSA-N 1 1 199.294 1.670 10 0 ADAEMO CC[C@H](C)[C@H]1CNCC[N@H+]1C(C)C 84859507 573921393 /nfs/dbraw/zinc/92/13/93/573921393.db2.gz REZMNLLYIFNACL-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO C[N@@H+](CO)CCc1ccc(F)cc1 259008423 573921398 /nfs/dbraw/zinc/92/13/98/573921398.db2.gz ZXNCEISSEAICKX-UHFFFAOYSA-N 1 1 183.226 1.250 10 0 ADAEMO CC[C@H]1CNC(C)(C)C[N@H+]1CC1CC1 84859581 573921448 /nfs/dbraw/zinc/92/14/48/573921448.db2.gz KLAMQJGNMJTOPQ-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@]1(C)CN[C@@H](C(C)C)C[N@@H+]1C 84859565 573921529 /nfs/dbraw/zinc/92/15/29/573921529.db2.gz XEDVRDQIBRMGDK-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@]1(C)CN[C@@H](C(C)C)C[N@H+]1C 84859565 573921533 /nfs/dbraw/zinc/92/15/33/573921533.db2.gz XEDVRDQIBRMGDK-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CCC(C)(C)OC(=O)[C@@H](C)[NH3+] 238186577 573921571 /nfs/dbraw/zinc/92/15/71/573921571.db2.gz WUNJARMXNJNZBQ-ZCFIWIBFSA-N 1 1 159.229 1.065 10 0 ADAEMO O=C(OC1CCC1)[C@H]1CCCCC[NH2+]1 80989872 573921572 /nfs/dbraw/zinc/92/15/72/573921572.db2.gz FIILKJLRIDXDGE-SNVBAGLBSA-N 1 1 197.278 1.614 10 0 ADAEMO CN1CC[N@@H+](C)[C@@](C)(C2CCCC2)C1 259006593 573921595 /nfs/dbraw/zinc/92/15/95/573921595.db2.gz HHVPENYDADCOAW-GFCCVEGCSA-N 1 1 196.338 1.813 10 0 ADAEMO CC[C@H](C)[C@@H]1CNCC[N@H+]1C(C)C 84859504 573921784 /nfs/dbraw/zinc/92/17/84/573921784.db2.gz REZMNLLYIFNACL-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CN1CC[N@@H+](C)[C@](C)(C2CCCC2)C1 259006599 573921801 /nfs/dbraw/zinc/92/18/01/573921801.db2.gz HHVPENYDADCOAW-LBPRGKRZSA-N 1 1 196.338 1.813 10 0 ADAEMO CC[C@]1(C)C[N@@H+](C)[C@H](C2CC2)CN1 84859670 573921808 /nfs/dbraw/zinc/92/18/08/573921808.db2.gz XRWJNGKAXGRXSS-WDEREUQCSA-N 1 1 182.311 1.469 10 0 ADAEMO CNCC[NH+](CC(C)C)CC(C)C 42034644 573921820 /nfs/dbraw/zinc/92/18/20/573921820.db2.gz CWYUSWYIXUVKGQ-UHFFFAOYSA-N 1 1 186.343 1.820 10 0 ADAEMO CC(C)[N@H+]1CCC=C(CF)C1 257900030 573921895 /nfs/dbraw/zinc/92/18/95/573921895.db2.gz ALYBHWROWGOTGM-UHFFFAOYSA-N 1 1 157.232 1.996 10 0 ADAEMO CC[C@@H]1CNC(C)(C)C[N@H+]1C(C)C 84859595 573923445 /nfs/dbraw/zinc/92/34/45/573923445.db2.gz XPVGYLDBLRZSMO-SNVBAGLBSA-N 1 1 184.327 1.857 10 0 ADAEMO CCC(CC)[N@H+]1C[C@H](C)NC[C@@H]1C 84882203 573923411 /nfs/dbraw/zinc/92/34/11/573923411.db2.gz AQISNQXDHJINKJ-UWVGGRQHSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@H]([NH3+])CN[C@H]1C[C@@H]1c1ccccc1 44675832 573922957 /nfs/dbraw/zinc/92/29/57/573922957.db2.gz SOIDUBTYXLFTDM-WCQGTBRESA-N 1 1 190.290 1.479 10 0 ADAEMO C[C@H](N)C[NH2+][C@H]1C[C@@H]1c1ccccc1 44675832 573922965 /nfs/dbraw/zinc/92/29/65/573922965.db2.gz SOIDUBTYXLFTDM-WCQGTBRESA-N 1 1 190.290 1.479 10 0 ADAEMO CC(C)[C@@H]1NCC[C@@H]2CCCC[N@@H+]21 238189151 573923377 /nfs/dbraw/zinc/92/33/77/573923377.db2.gz YGUAHDVPLPUCAC-WDEREUQCSA-N 1 1 182.311 1.816 10 0 ADAEMO CC(=O)[C@H](F)C[C@H]1CCC[N@@H+]1C 257901394 573922979 /nfs/dbraw/zinc/92/29/79/573922979.db2.gz OXLZSRUXBXQJFP-RKDXNWHRSA-N 1 1 173.231 1.398 10 0 ADAEMO CC(C)[C@@H]1NCC[C@@H]2CCCC[N@H+]21 238189151 573923383 /nfs/dbraw/zinc/92/33/83/573923383.db2.gz YGUAHDVPLPUCAC-WDEREUQCSA-N 1 1 182.311 1.816 10 0 ADAEMO CC(=O)[C@@H](F)C[C@H]1CCC[N@@H+]1C 257901389 573923083 /nfs/dbraw/zinc/92/30/83/573923083.db2.gz OXLZSRUXBXQJFP-BDAKNGLRSA-N 1 1 173.231 1.398 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CCNC(C)(C)C1 84877489 573923096 /nfs/dbraw/zinc/92/30/96/573923096.db2.gz RDGFEUJALAWORA-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@]1(C)CN[C@H](C(C)C)C[N@@H+]1C 84859561 573923131 /nfs/dbraw/zinc/92/31/31/573923131.db2.gz XEDVRDQIBRMGDK-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@]1(C)CN[C@H](C(C)C)C[N@H+]1C 84859561 573923137 /nfs/dbraw/zinc/92/31/37/573923137.db2.gz XEDVRDQIBRMGDK-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CN[C@H]([NH3+])c1cc(F)ccc1OC 259238822 573923202 /nfs/dbraw/zinc/92/32/02/573923202.db2.gz HQFWJHGCWZLWFR-VIFPVBQESA-N 1 1 184.214 1.011 10 0 ADAEMO CCC(CC)[N@H+]1CCN[C@@H](C2CC2)C1 84877525 573923235 /nfs/dbraw/zinc/92/32/35/573923235.db2.gz JLBWJHIYSWICKY-GFCCVEGCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC(CC)N1CC[NH2+][C@@H](C2CC2)C1 84877525 573923244 /nfs/dbraw/zinc/92/32/44/573923244.db2.gz JLBWJHIYSWICKY-GFCCVEGCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[N@H+]1C[C@](C)(CC)NC[C@@H]1C 84859652 573923267 /nfs/dbraw/zinc/92/32/67/573923267.db2.gz KRDMIXCCSJDPDW-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CCCN1C[C@](C)(CC)[NH2+]C[C@@H]1C 84859652 573923274 /nfs/dbraw/zinc/92/32/74/573923274.db2.gz KRDMIXCCSJDPDW-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO [NH3+]C1(C(F)(F)c2ccc(O)cc2)CC1 257901093 573925049 /nfs/dbraw/zinc/92/50/49/573925049.db2.gz VSWLQJGVSQINTB-UHFFFAOYSA-N 1 1 199.200 1.975 10 0 ADAEMO CC(C)(C)[NH2+]C[C@@H]1CCCCCN1 81003230 573924342 /nfs/dbraw/zinc/92/43/42/573924342.db2.gz WVBQPLCBNBXORH-JTQLQIEISA-N 1 1 184.327 1.907 10 0 ADAEMO CC(C)(C)NC[C@@H]1CCCCC[NH2+]1 81003230 573924347 /nfs/dbraw/zinc/92/43/47/573924347.db2.gz WVBQPLCBNBXORH-JTQLQIEISA-N 1 1 184.327 1.907 10 0 ADAEMO CC[C@]1(C)CN[C@H](C(C)C)C[N@@H+]1C 84859559 573924378 /nfs/dbraw/zinc/92/43/78/573924378.db2.gz XEDVRDQIBRMGDK-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@]1(C)CN[C@H](C(C)C)C[N@H+]1C 84859559 573924382 /nfs/dbraw/zinc/92/43/82/573924382.db2.gz XEDVRDQIBRMGDK-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO [NH3+]CCCc1ncc2cc(F)ccn12 257900546 573924441 /nfs/dbraw/zinc/92/44/41/573924441.db2.gz YSKFLCJAUSMAEF-UHFFFAOYSA-N 1 1 193.225 1.365 10 0 ADAEMO CCC1(CC)CN[C@@H](C)C[N@H+]1C 84859545 573924459 /nfs/dbraw/zinc/92/44/59/573924459.db2.gz CAKRTESVHYCVCE-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CCC1(CC)C[NH2+][C@@H](C)CN1C 84859545 573924465 /nfs/dbraw/zinc/92/44/65/573924465.db2.gz CAKRTESVHYCVCE-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1[C@@H](C)C1CC1 84882216 573924488 /nfs/dbraw/zinc/92/44/88/573924488.db2.gz ZNONIIUNJNQDTP-JFGNBEQYSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@H](C)C[N@H+]1CCN[C@@H](C)C1 84882191 573924560 /nfs/dbraw/zinc/92/45/60/573924560.db2.gz URJHSDAVJTYSBN-MNOVXSKESA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)[C@H](C)CN1CC[NH2+][C@@H](C)C1 84882191 573924566 /nfs/dbraw/zinc/92/45/66/573924566.db2.gz URJHSDAVJTYSBN-MNOVXSKESA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)OC(=O)[C@H]1CCCCC[NH2+]1 80989679 573924605 /nfs/dbraw/zinc/92/46/05/573924605.db2.gz CVEASYHRVIZBEX-SECBINFHSA-N 1 1 185.267 1.470 10 0 ADAEMO COCCCC[N@H+]1CCC(=O)C[C@@H]1C 44659216 573924656 /nfs/dbraw/zinc/92/46/56/573924656.db2.gz MCLNOVKICUIADQ-JTQLQIEISA-N 1 1 199.294 1.466 10 0 ADAEMO COC(=O)[C@@H](C)[N@H+](C)C1CCC1 127579926 573924688 /nfs/dbraw/zinc/92/46/88/573924688.db2.gz BQDVPDLQORMGHA-SSDOTTSWSA-N 1 1 171.240 1.032 10 0 ADAEMO COC(=O)[C@@H](C)[N@@H+](C)C1CCC1 127579926 573924698 /nfs/dbraw/zinc/92/46/98/573924698.db2.gz BQDVPDLQORMGHA-SSDOTTSWSA-N 1 1 171.240 1.032 10 0 ADAEMO C[N@@H+]1CC[C@@H](c2csc(CN)n2)C1 258182465 573924800 /nfs/dbraw/zinc/92/48/00/573924800.db2.gz VFVVBFWSWWTBPZ-SSDOTTSWSA-N 1 1 197.307 1.021 10 0 ADAEMO C[N@H+]1CC[C@@H](c2csc(CN)n2)C1 258182465 573924802 /nfs/dbraw/zinc/92/48/02/573924802.db2.gz VFVVBFWSWWTBPZ-SSDOTTSWSA-N 1 1 197.307 1.021 10 0 ADAEMO OC[C@@H]1CC[N@@H+]2CCC[C@H]2C1(F)F 257900590 573924888 /nfs/dbraw/zinc/92/48/88/573924888.db2.gz YSVUCLRDPISETO-YUMQZZPRSA-N 1 1 191.221 1.098 10 0 ADAEMO OC[C@@H]1CC[N@H+]2CCC[C@H]2C1(F)F 257900590 573924891 /nfs/dbraw/zinc/92/48/91/573924891.db2.gz YSVUCLRDPISETO-YUMQZZPRSA-N 1 1 191.221 1.098 10 0 ADAEMO CC[C@@H](C)[C@H]1CNCC[N@H+]1C(C)C 84859505 573924909 /nfs/dbraw/zinc/92/49/09/573924909.db2.gz REZMNLLYIFNACL-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO C[N@H+](CC1CCC1)C[C@@H](N)CC1CC1 308463857 573924910 /nfs/dbraw/zinc/92/49/10/573924910.db2.gz HCXBAKJMFOWDEI-LBPRGKRZSA-N 1 1 196.338 1.846 10 0 ADAEMO CN(CC1CCC1)C[C@@H]([NH3+])CC1CC1 308463857 573924915 /nfs/dbraw/zinc/92/49/15/573924915.db2.gz HCXBAKJMFOWDEI-LBPRGKRZSA-N 1 1 196.338 1.846 10 0 ADAEMO CC1=[NH+]C[C@@H]2CC(=O)[C@@]12C 238188192 573924952 /nfs/dbraw/zinc/92/49/52/573924952.db2.gz QUPOSVNOHKJRMJ-XPUUQOCRSA-N 1 1 137.182 1.056 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1C[C@@H](C)NC[C@H]1C 84882231 573925028 /nfs/dbraw/zinc/92/50/28/573925028.db2.gz COCWGTDVSKRSRK-BBBLOLIVSA-N 1 1 182.311 1.467 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CCN[C@H](C2CC2)C1 84877553 573925056 /nfs/dbraw/zinc/92/50/56/573925056.db2.gz ITOXXGOMTPGRQI-JQWIXIFHSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H](C)N1CC[NH2+][C@H](C2CC2)C1 84877553 573925060 /nfs/dbraw/zinc/92/50/60/573925060.db2.gz 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259012088 573926351 /nfs/dbraw/zinc/92/63/51/573926351.db2.gz HTXDDKDMMVODHN-GFCCVEGCSA-N 1 1 192.306 1.858 10 0 ADAEMO CC(=O)[C@@H](F)C[C@@H]1CCC[N@@H+]1C 257901392 573925557 /nfs/dbraw/zinc/92/55/57/573925557.db2.gz OXLZSRUXBXQJFP-IUCAKERBSA-N 1 1 173.231 1.398 10 0 ADAEMO CC1=[NH+]C[C@H]2CC(=O)[C@@]12C 238188300 573925595 /nfs/dbraw/zinc/92/55/95/573925595.db2.gz QUPOSVNOHKJRMJ-SVRRBLITSA-N 1 1 137.182 1.056 10 0 ADAEMO CCOC(=O)[C@@H](C)C[N@@H+](C)C1CCC1 127586268 573925663 /nfs/dbraw/zinc/92/56/63/573925663.db2.gz TTYGTVKVHSWBBB-VIFPVBQESA-N 1 1 199.294 1.670 10 0 ADAEMO C[N@H+]1CCC[C@H](c2c[nH]c(=S)[nH]2)C1 259013336 573925692 /nfs/dbraw/zinc/92/56/92/573925692.db2.gz DMJKYORZQDOKBX-ZETCQYMHSA-N 1 1 197.307 1.508 10 0 ADAEMO CC(C)(C[NH3+])[C@H](N)c1ccncc1 259583215 573925743 /nfs/dbraw/zinc/92/57/43/573925743.db2.gz ZGWLGPNDPJWMIF-SECBINFHSA-N 1 1 179.267 1.066 10 0 ADAEMO CC1(C)CC(C)(C)[NH2+]CCN1 238187538 573925758 /nfs/dbraw/zinc/92/57/58/573925758.db2.gz 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ADAEMO CN(C)[C@]1(C[NH3+])CCC[C@@H](C2CC2)C1 81640480 573956721 /nfs/dbraw/zinc/95/67/21/573956721.db2.gz XVVYPICNQDKMCT-VXGBXAGGSA-N 1 1 196.338 1.846 10 0 ADAEMO CC1(C)C[C@H]1[NH2+]C[C@@](C)(N)C1CC1 45137667 573957070 /nfs/dbraw/zinc/95/70/70/573957070.db2.gz IRPLGPGPKICNHJ-MWLCHTKSSA-N 1 1 182.311 1.502 10 0 ADAEMO CC[C@H]1CO[C@H](C)C[N@H+]1CCC(C)=O 42451295 573956107 /nfs/dbraw/zinc/95/61/07/573956107.db2.gz ZNPPCCMFXHMTFS-MNOVXSKESA-N 1 1 199.294 1.465 10 0 ADAEMO C[C@H]1C[C@@H]([NH3+])CCN1[C@@H]1CC1(C)C 45135329 573956186 /nfs/dbraw/zinc/95/61/86/573956186.db2.gz YQWXYLFXBYRHQY-LPEHRKFASA-N 1 1 182.311 1.597 10 0 ADAEMO NC[C@]1([NH3+])CCC[C@H](C2CC2)C1 81640746 573956187 /nfs/dbraw/zinc/95/61/87/573956187.db2.gz USMIJIIONYFTLR-UWVGGRQHSA-N 1 1 168.284 1.243 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc2ncoc2c1 259250676 573956295 /nfs/dbraw/zinc/95/62/95/573956295.db2.gz KRLDAKYMDOHMTK-SNVBAGLBSA-N 1 1 190.202 1.417 10 0 ADAEMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCC(C)=O 42451293 573956368 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ADAEMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(C)=O 42451299 573956643 /nfs/dbraw/zinc/95/66/43/573956643.db2.gz ZNPPCCMFXHMTFS-QWRGUYRKSA-N 1 1 199.294 1.465 10 0 ADAEMO CCCC[C@@H](N)C[NH2+][C@H]1CC1(C)C 45137983 573956652 /nfs/dbraw/zinc/95/66/52/573956652.db2.gz DJJXNDAAUFQBRH-ZJUUUORDSA-N 1 1 184.327 1.892 10 0 ADAEMO CC[C@](C)(CO)C[N@@H+](C)C1CCC1 127858672 573956830 /nfs/dbraw/zinc/95/68/30/573956830.db2.gz MBYAVAQHWQQWKP-NSHDSACASA-N 1 1 185.311 1.879 10 0 ADAEMO CC[C@H]([NH3+])CC[N@@H+](C)CCCOC 127883594 573956736 /nfs/dbraw/zinc/95/67/36/573956736.db2.gz BNVXPFBLFNIOOJ-JTQLQIEISA-N 1 1 188.315 1.082 10 0 ADAEMO CC(C)[C@]1([NH3+])CC[C@@H](C)C[C@@H]1N 238210534 573956750 /nfs/dbraw/zinc/95/67/50/573956750.db2.gz LCGGJIVQTOJHEO-KXUCPTDWSA-N 1 1 170.300 1.487 10 0 ADAEMO CC(C)C[C@H](N)C[NH2+][C@@H]1CC1(C)C 45137881 573956773 /nfs/dbraw/zinc/95/67/73/573956773.db2.gz TZNYYPZFCXRORA-VHSXEESVSA-N 1 1 184.327 1.748 10 0 ADAEMO CCCNCC[NH2+][C@@H]1CC1(C)C 45137848 573956988 /nfs/dbraw/zinc/95/69/88/573956988.db2.gz YODGBDYNZUZECG-SECBINFHSA-N 1 1 170.300 1.374 10 0 ADAEMO CC[C@@H](C)[C@@H](N)C[NH2+][C@@H]1CC1(C)C 45137687 573958016 /nfs/dbraw/zinc/95/80/16/573958016.db2.gz OSNOBINQEBQFSR-KXUCPTDWSA-N 1 1 184.327 1.748 10 0 ADAEMO CC(C)C[NH2+]C[C@H]1CC[C@H]1N1CCC1 308471774 573958077 /nfs/dbraw/zinc/95/80/77/573958077.db2.gz BYIMKNUKHDJUAX-VXGBXAGGSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H](C)[NH3+] 42462848 573958093 /nfs/dbraw/zinc/95/80/93/573958093.db2.gz MDRDIIWPZJIXLS-BBBLOLIVSA-N 1 1 199.294 1.846 10 0 ADAEMO CC[N@@H+](CCOC)[C@@H]1CCCCC1=O 42493885 573958148 /nfs/dbraw/zinc/95/81/48/573958148.db2.gz DPDGIBAIENXCJE-SNVBAGLBSA-N 1 1 199.294 1.466 10 0 ADAEMO CC[N@@H+](CCOC)[C@H]1CCCC1=O 42493892 573958219 /nfs/dbraw/zinc/95/82/19/573958219.db2.gz LIBHRXPDEYAONL-VIFPVBQESA-N 1 1 185.267 1.076 10 0 ADAEMO CC(C)NCC[NH2+][C@@H]1CC1(C)C 45137657 573958221 /nfs/dbraw/zinc/95/82/21/573958221.db2.gz CEWJHLHJVLHGON-SECBINFHSA-N 1 1 170.300 1.373 10 0 ADAEMO CC(C)C[NH2+]C[C@@H]1CC[C@@H]1N1CCC1 308471773 573958285 /nfs/dbraw/zinc/95/82/85/573958285.db2.gz BYIMKNUKHDJUAX-RYUDHWBXSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)C[C@H](N)C[NH2+][C@H]1CC1(C)C 45137886 573958294 /nfs/dbraw/zinc/95/82/94/573958294.db2.gz TZNYYPZFCXRORA-UWVGGRQHSA-N 1 1 184.327 1.748 10 0 ADAEMO CC(C)[C@@H](N)C[NH2+][C@H]1CC1(C)C 45137898 573958417 /nfs/dbraw/zinc/95/84/17/573958417.db2.gz MUULNSAZRJVNLS-IUCAKERBSA-N 1 1 170.300 1.358 10 0 ADAEMO CCCC[C@H](N)C[NH2+][C@H]1CC1(C)C 45137981 573958460 /nfs/dbraw/zinc/95/84/60/573958460.db2.gz DJJXNDAAUFQBRH-UWVGGRQHSA-N 1 1 184.327 1.892 10 0 ADAEMO CC(C)C[C@@H](N)C[NH2+][C@H]1CC1(C)C 45137888 573958473 /nfs/dbraw/zinc/95/84/73/573958473.db2.gz TZNYYPZFCXRORA-ZJUUUORDSA-N 1 1 184.327 1.748 10 0 ADAEMO CCC(CC)(CN)[N@H+](C)CCOC 42458784 573958535 /nfs/dbraw/zinc/95/85/35/573958535.db2.gz WMCPYIMVRCFYTP-UHFFFAOYSA-N 1 1 188.315 1.082 10 0 ADAEMO CCC(CC)(CN)[N@@H+](C)CCOC 42458784 573958543 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/nfs/dbraw/zinc/97/03/84/573970384.db2.gz KNBUNNXPMDDAEH-ZJUUUORDSA-N 1 1 184.327 1.843 10 0 ADAEMO CCCc1cn2c([nH+]1)C[C@@H](CO)CC2 258192923 573970422 /nfs/dbraw/zinc/97/04/22/573970422.db2.gz FNZZRZWCECHMGE-VIFPVBQESA-N 1 1 194.278 1.390 10 0 ADAEMO Cc1cccc([C@H]([NH3+])c2cn[nH]n2)c1 87599835 573970425 /nfs/dbraw/zinc/97/04/25/573970425.db2.gz DMTOQXMNOIGNTC-JTQLQIEISA-N 1 1 188.234 1.161 10 0 ADAEMO C[NH2+][C@@H](CCC(C)C)c1c[nH]nn1 87600574 573970520 /nfs/dbraw/zinc/97/05/20/573970520.db2.gz ZOIIIPKYCZXELX-QMMMGPOBSA-N 1 1 182.271 1.501 10 0 ADAEMO C[NH2+][C@@H](CCC(C)C)c1cn[nH]n1 87600574 573970525 /nfs/dbraw/zinc/97/05/25/573970525.db2.gz ZOIIIPKYCZXELX-QMMMGPOBSA-N 1 1 182.271 1.501 10 0 ADAEMO CC[C@@H](C)[C@H](C)[N@@H+]1CC[C@H](NC)C1 42556621 573970697 /nfs/dbraw/zinc/97/06/97/573970697.db2.gz MYEXMJMAJPCSJV-VWYCJHECSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H](C)[C@H](C)[N@H+]1CC[C@H](NC)C1 42556621 573970703 /nfs/dbraw/zinc/97/07/03/573970703.db2.gz MYEXMJMAJPCSJV-VWYCJHECSA-N 1 1 184.327 1.715 10 0 ADAEMO [NH3+][C@H](Cc1cccs1)c1cn[nH]n1 87599854 573970706 /nfs/dbraw/zinc/97/07/06/573970706.db2.gz SSVHANOATMHSMZ-SSDOTTSWSA-N 1 1 194.263 1.109 10 0 ADAEMO [NH3+][C@H](Cc1cccs1)c1cnn[nH]1 87599854 573970710 /nfs/dbraw/zinc/97/07/10/573970710.db2.gz SSVHANOATMHSMZ-SSDOTTSWSA-N 1 1 194.263 1.109 10 0 ADAEMO c1[nH]nnc1[C@@H]1CCCCC[NH2+]1 87601402 573970789 /nfs/dbraw/zinc/97/07/89/573970789.db2.gz DWTSHPZQRPNKCS-ZETCQYMHSA-N 1 1 166.228 1.009 10 0 ADAEMO c1n[nH]nc1[C@@H]1CCCCC[NH2+]1 87601402 573970794 /nfs/dbraw/zinc/97/07/94/573970794.db2.gz DWTSHPZQRPNKCS-ZETCQYMHSA-N 1 1 166.228 1.009 10 0 ADAEMO Cc1nnc(S[C@@H]2CCC[C@@H]2[NH3+])[nH]1 81890218 573972052 /nfs/dbraw/zinc/97/20/52/573972052.db2.gz WMJHLFCXFDOGEJ-NKWVEPMBSA-N 1 1 198.295 1.085 10 0 ADAEMO C[N@@H+]1CCC[C@@]2(CC1)NCCS2 87602399 573970971 /nfs/dbraw/zinc/97/09/71/573970971.db2.gz ANYNPMPDUFRGCV-SECBINFHSA-N 1 1 186.324 1.135 10 0 ADAEMO C[N@H+]1CCC[C@@]2(CC1)NCCS2 87602399 573970975 /nfs/dbraw/zinc/97/09/75/573970975.db2.gz ANYNPMPDUFRGCV-SECBINFHSA-N 1 1 186.324 1.135 10 0 ADAEMO CC1CCC([C@H]([NH3+])c2cn[nH]n2)CC1 87600498 573971041 /nfs/dbraw/zinc/97/10/41/573971041.db2.gz NXIWEXUQKLJQEB-KTOWXAHTSA-N 1 1 194.282 1.631 10 0 ADAEMO [NH3+][C@@H](CC1CCCCC1)c1cn[nH]n1 87600314 573971067 /nfs/dbraw/zinc/97/10/67/573971067.db2.gz ZBEOIUQLJFEFQW-VIFPVBQESA-N 1 1 194.282 1.775 10 0 ADAEMO Cc1n[nH]c(S[C@@H]2CCC[C@@H]2[NH3+])n1 81890218 573972055 /nfs/dbraw/zinc/97/20/55/573972055.db2.gz WMJHLFCXFDOGEJ-NKWVEPMBSA-N 1 1 198.295 1.085 10 0 ADAEMO Cc1ccc([C@H]([NH3+])c2cn[nH]n2)s1 87600399 573971171 /nfs/dbraw/zinc/97/11/71/573971171.db2.gz VDQIAEOQWUGHBK-MRVPVSSYSA-N 1 1 194.263 1.223 10 0 ADAEMO CC[N@@H+]1CC=C([C@@H](C)O)CC1 238227773 573971216 /nfs/dbraw/zinc/97/12/16/573971216.db2.gz GHCJVPDPWJRCCB-MRVPVSSYSA-N 1 1 155.241 1.019 10 0 ADAEMO c1[nH]nnc1[C@H]1CCCCC[NH2+]1 87601403 573971308 /nfs/dbraw/zinc/97/13/08/573971308.db2.gz DWTSHPZQRPNKCS-SSDOTTSWSA-N 1 1 166.228 1.009 10 0 ADAEMO c1n[nH]nc1[C@H]1CCCCC[NH2+]1 87601403 573971312 /nfs/dbraw/zinc/97/13/12/573971312.db2.gz DWTSHPZQRPNKCS-SSDOTTSWSA-N 1 1 166.228 1.009 10 0 ADAEMO CC(C)[N@@H+]1CC=C(C(C)(C)O)CC1 258191698 573971596 /nfs/dbraw/zinc/97/15/96/573971596.db2.gz TZNWTNCSKYRJTI-UHFFFAOYSA-N 1 1 183.295 1.798 10 0 ADAEMO Cc1ccsc1[C@H](O)[NH+](C)C 259590205 573971604 /nfs/dbraw/zinc/97/16/04/573971604.db2.gz QEOLCWMFZQCSNZ-QMMMGPOBSA-N 1 1 171.265 1.609 10 0 ADAEMO [NH3+][C@@H](Cc1ccsc1)c1cn[nH]n1 87599876 573971644 /nfs/dbraw/zinc/97/16/44/573971644.db2.gz KYXNLZDSSGQFRB-ZETCQYMHSA-N 1 1 194.263 1.109 10 0 ADAEMO [NH3+][C@@H](Cc1ccsc1)c1cnn[nH]1 87599876 573971647 /nfs/dbraw/zinc/97/16/47/573971647.db2.gz KYXNLZDSSGQFRB-ZETCQYMHSA-N 1 1 194.263 1.109 10 0 ADAEMO CC[NH2+][C@@H](CC1CCC1)c1cn[nH]n1 87600979 573971711 /nfs/dbraw/zinc/97/17/11/573971711.db2.gz RGFGIWFQBBWLQJ-VIFPVBQESA-N 1 1 194.282 1.646 10 0 ADAEMO CC[NH2+][C@@H](CC1CCC1)c1c[nH]nn1 87600979 573971716 /nfs/dbraw/zinc/97/17/16/573971716.db2.gz RGFGIWFQBBWLQJ-VIFPVBQESA-N 1 1 194.282 1.646 10 0 ADAEMO CC[N@@H+]1CC=C([C@H](C)O)CC1 238227924 573971736 /nfs/dbraw/zinc/97/17/36/573971736.db2.gz GHCJVPDPWJRCCB-QMMMGPOBSA-N 1 1 155.241 1.019 10 0 ADAEMO C[NH2+][C@@H](c1cnn[nH]1)C(C)(C)C 87600653 573971805 /nfs/dbraw/zinc/97/18/05/573971805.db2.gz XVGUMIXCIHQNRS-ZETCQYMHSA-N 1 1 168.244 1.111 10 0 ADAEMO [NH3+][C@H](Cc1ccsc1)c1cn[nH]n1 87599878 573971824 /nfs/dbraw/zinc/97/18/24/573971824.db2.gz KYXNLZDSSGQFRB-SSDOTTSWSA-N 1 1 194.263 1.109 10 0 ADAEMO [NH3+][C@H](Cc1ccsc1)c1cnn[nH]1 87599878 573971825 /nfs/dbraw/zinc/97/18/25/573971825.db2.gz KYXNLZDSSGQFRB-SSDOTTSWSA-N 1 1 194.263 1.109 10 0 ADAEMO C[N@@H+]1CCC[C@]2(CC1)NCCS2 87602400 573971882 /nfs/dbraw/zinc/97/18/82/573971882.db2.gz ANYNPMPDUFRGCV-VIFPVBQESA-N 1 1 186.324 1.135 10 0 ADAEMO C[N@H+]1CCC[C@]2(CC1)NCCS2 87602400 573971885 /nfs/dbraw/zinc/97/18/85/573971885.db2.gz ANYNPMPDUFRGCV-VIFPVBQESA-N 1 1 186.324 1.135 10 0 ADAEMO Cc1ccc([C@H]([NH3+])c2cn[nH]n2)cc1 87600200 573971912 /nfs/dbraw/zinc/97/19/12/573971912.db2.gz HJWKUJWLCXATHR-JTQLQIEISA-N 1 1 188.234 1.161 10 0 ADAEMO [NH3+][C@H](CC1CCCC1)c1cn[nH]n1 87599880 573972000 /nfs/dbraw/zinc/97/20/00/573972000.db2.gz ADWFFPRTCVHHSM-MRVPVSSYSA-N 1 1 180.255 1.385 10 0 ADAEMO C[NH2+][C@@H](c1ccccc1)c1cnn[nH]1 87600576 573972021 /nfs/dbraw/zinc/97/20/21/573972021.db2.gz PPQKFJGTTVFPAI-JTQLQIEISA-N 1 1 188.234 1.114 10 0 ADAEMO Cc1cc([C@H]([NH3+])c2cn[nH]n2)cs1 87599979 573972972 /nfs/dbraw/zinc/97/29/72/573972972.db2.gz CYZRMESFEWXNNX-QMMMGPOBSA-N 1 1 194.263 1.223 10 0 ADAEMO C[NH2+][C@@H](c1cnn[nH]1)C1CCCC1 87600812 573973012 /nfs/dbraw/zinc/97/30/12/573973012.db2.gz ABVOEKQGWMIREH-SECBINFHSA-N 1 1 180.255 1.255 10 0 ADAEMO Cc1nnc(S[C@H]2CCC[C@@H]2[NH3+])[nH]1 81890219 573973130 /nfs/dbraw/zinc/97/31/30/573973130.db2.gz WMJHLFCXFDOGEJ-BQBZGAKWSA-N 1 1 198.295 1.085 10 0 ADAEMO Cc1n[nH]c(S[C@H]2CCC[C@@H]2[NH3+])n1 81890219 573973135 /nfs/dbraw/zinc/97/31/35/573973135.db2.gz WMJHLFCXFDOGEJ-BQBZGAKWSA-N 1 1 198.295 1.085 10 0 ADAEMO Cc1nnc(S[C@@H]2CCC[C@H]2[NH3+])[nH]1 81890220 573973191 /nfs/dbraw/zinc/97/31/91/573973191.db2.gz WMJHLFCXFDOGEJ-RNFRBKRXSA-N 1 1 198.295 1.085 10 0 ADAEMO Cc1n[nH]c(S[C@@H]2CCC[C@H]2[NH3+])n1 81890220 573973193 /nfs/dbraw/zinc/97/31/93/573973193.db2.gz WMJHLFCXFDOGEJ-RNFRBKRXSA-N 1 1 198.295 1.085 10 0 ADAEMO CC1(C)CO[C@H](c2ccoc2)[NH2+]1 238229582 573973204 /nfs/dbraw/zinc/97/32/04/573973204.db2.gz CGCHARVAORKVQU-MRVPVSSYSA-N 1 1 167.208 1.677 10 0 ADAEMO CC1(C)CO[C@@](C)(c2ccccn2)[NH2+]1 238229342 573973344 /nfs/dbraw/zinc/97/33/44/573973344.db2.gz YVYASCMQTLCPLS-NSHDSACASA-N 1 1 192.262 1.653 10 0 ADAEMO [NH3+][C@@H](CC1CCCC1)c1cn[nH]n1 87599881 573973404 /nfs/dbraw/zinc/97/34/04/573973404.db2.gz ADWFFPRTCVHHSM-QMMMGPOBSA-N 1 1 180.255 1.385 10 0 ADAEMO Cc1nnc(S[C@H]2CCC[C@H]2[NH3+])[nH]1 81890221 573973500 /nfs/dbraw/zinc/97/35/00/573973500.db2.gz WMJHLFCXFDOGEJ-RQJHMYQMSA-N 1 1 198.295 1.085 10 0 ADAEMO Cc1n[nH]c(S[C@H]2CCC[C@H]2[NH3+])n1 81890221 573973507 /nfs/dbraw/zinc/97/35/07/573973507.db2.gz WMJHLFCXFDOGEJ-RQJHMYQMSA-N 1 1 198.295 1.085 10 0 ADAEMO C[NH2+][C@@H](CC(C)C)c1c[nH]nn1 87600654 573973545 /nfs/dbraw/zinc/97/35/45/573973545.db2.gz UCSSYNXQNZQBOZ-ZETCQYMHSA-N 1 1 168.244 1.111 10 0 ADAEMO C[NH2+][C@@H](CC(C)C)c1cn[nH]n1 87600654 573973548 /nfs/dbraw/zinc/97/35/48/573973548.db2.gz UCSSYNXQNZQBOZ-ZETCQYMHSA-N 1 1 168.244 1.111 10 0 ADAEMO Cc1ccccc1[C@@H]([NH3+])c1cn[nH]n1 87599834 573973703 /nfs/dbraw/zinc/97/37/03/573973703.db2.gz WLHPVRUQVNRSMZ-SNVBAGLBSA-N 1 1 188.234 1.161 10 0 ADAEMO CC1(C)CO[C@@H](c2ccoc2)[NH2+]1 238229286 573973891 /nfs/dbraw/zinc/97/38/91/573973891.db2.gz CGCHARVAORKVQU-QMMMGPOBSA-N 1 1 167.208 1.677 10 0 ADAEMO C[NH2+][C@H](c1ccccc1)c1cnn[nH]1 87600577 573974039 /nfs/dbraw/zinc/97/40/39/573974039.db2.gz PPQKFJGTTVFPAI-SNVBAGLBSA-N 1 1 188.234 1.114 10 0 ADAEMO [NH3+][C@@H](c1cn[nH]n1)C1CCCCC1 87600466 573974508 /nfs/dbraw/zinc/97/45/08/573974508.db2.gz PPNKEUVHZJZTAI-SECBINFHSA-N 1 1 180.255 1.385 10 0 ADAEMO [NH3+][C@@H](Cc1cccs1)c1cn[nH]n1 87599852 573974175 /nfs/dbraw/zinc/97/41/75/573974175.db2.gz SSVHANOATMHSMZ-ZETCQYMHSA-N 1 1 194.263 1.109 10 0 ADAEMO [NH3+][C@@H](Cc1cccs1)c1cnn[nH]1 87599852 573974179 /nfs/dbraw/zinc/97/41/79/573974179.db2.gz SSVHANOATMHSMZ-ZETCQYMHSA-N 1 1 194.263 1.109 10 0 ADAEMO Cc1cccc([C@@H]([NH3+])c2cn[nH]n2)c1 87599837 573974266 /nfs/dbraw/zinc/97/42/66/573974266.db2.gz DMTOQXMNOIGNTC-SNVBAGLBSA-N 1 1 188.234 1.161 10 0 ADAEMO Cc1cc([C@@H]([NH3+])c2cn[nH]n2)cs1 87599980 573974298 /nfs/dbraw/zinc/97/42/98/573974298.db2.gz CYZRMESFEWXNNX-MRVPVSSYSA-N 1 1 194.263 1.223 10 0 ADAEMO CCC(CC)[C@H]([NH3+])c1cn[nH]n1 87600386 573974352 /nfs/dbraw/zinc/97/43/52/573974352.db2.gz WMPNBIHJBRJVRR-QMMMGPOBSA-N 1 1 168.244 1.241 10 0 ADAEMO CCc1[nH+]c(C)cn1C[C@H](O)C1CC1 715095329 573974404 /nfs/dbraw/zinc/97/44/04/573974404.db2.gz BXVKEGRLCONZFZ-JTQLQIEISA-N 1 1 194.278 1.525 10 0 ADAEMO C[NH2+][C@@H](c1cnn[nH]1)C1CCCCC1 87600827 573974541 /nfs/dbraw/zinc/97/45/41/573974541.db2.gz KWWPUNTVXHNIFO-SNVBAGLBSA-N 1 1 194.282 1.646 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1c1coc(CO)n1 258192714 573974565 /nfs/dbraw/zinc/97/45/65/573974565.db2.gz WCRSJFOPCIYUSP-VIFPVBQESA-N 1 1 196.250 1.324 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1coc(CO)n1 258192714 573974575 /nfs/dbraw/zinc/97/45/75/573974575.db2.gz WCRSJFOPCIYUSP-VIFPVBQESA-N 1 1 196.250 1.324 10 0 ADAEMO CC1CCC([C@@H]([NH3+])c2cn[nH]n2)CC1 87600499 573975531 /nfs/dbraw/zinc/97/55/31/573975531.db2.gz NXIWEXUQKLJQEB-SFVIPPHHSA-N 1 1 194.282 1.631 10 0 ADAEMO CCc1[nH+]c(C)cn1C[C@@H](O)C1CC1 715095336 573975574 /nfs/dbraw/zinc/97/55/74/573975574.db2.gz BXVKEGRLCONZFZ-SNVBAGLBSA-N 1 1 194.278 1.525 10 0 ADAEMO Cc1ccsc1[C@H]([NH3+])c1cn[nH]n1 87600327 573975577 /nfs/dbraw/zinc/97/55/77/573975577.db2.gz MGUHUMNPSBOHBV-SSDOTTSWSA-N 1 1 194.263 1.223 10 0 ADAEMO CC[N@H+]1CCCC[C@H](C[NH3+])[C@@H]1C 238228883 573975540 /nfs/dbraw/zinc/97/55/40/573975540.db2.gz SANHYRYMNUIVLD-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO Cc1ccc([C@@H]([NH3+])c2cn[nH]n2)s1 87600401 573975504 /nfs/dbraw/zinc/97/55/04/573975504.db2.gz VDQIAEOQWUGHBK-QMMMGPOBSA-N 1 1 194.263 1.223 10 0 ADAEMO Cc1n[nH]c(C)c1[C@H]1[NH2+]CCS1 87602505 573977460 /nfs/dbraw/zinc/97/74/60/573977460.db2.gz DMUDHPIEAMFAIG-QMMMGPOBSA-N 1 1 183.280 1.362 10 0 ADAEMO COC(OC)[C@@]1(C)[NH2+]CCCS1 87603564 573977315 /nfs/dbraw/zinc/97/73/15/573977315.db2.gz UBKZSJLYPNPXEA-QMMMGPOBSA-N 1 1 191.296 1.048 10 0 ADAEMO Cc1nn(C)c(C)c1[C@H]1[NH2+]CCS1 87602462 573977259 /nfs/dbraw/zinc/97/72/59/573977259.db2.gz ICHWGBNYWTVQTK-VIFPVBQESA-N 1 1 197.307 1.372 10 0 ADAEMO Cc1n[nH]c(C)c1[C@H]1[NH2+][C@@H](C)CS1 87603525 573977538 /nfs/dbraw/zinc/97/75/38/573977538.db2.gz GQSFBOQNDNMCBY-CDUCUWFYSA-N 1 1 197.307 1.750 10 0 ADAEMO Cc1n[nH]c(C)c1[C@H]1[NH2+]C[C@@H](C)S1 87603010 573977613 /nfs/dbraw/zinc/97/76/13/573977613.db2.gz IRRKSIHTMPKVEM-ANLVUFKYSA-N 1 1 197.307 1.750 10 0 ADAEMO C[C@@H]1CN[C@]2(CC[N@@H+](C3CC3)C2)S1 87602927 573977599 /nfs/dbraw/zinc/97/75/99/573977599.db2.gz DFDPQFHGQFHVIW-PSASIEDQSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@@H]1CN[C@]2(CC[N@H+](C3CC3)C2)S1 87602927 573977601 /nfs/dbraw/zinc/97/76/01/573977601.db2.gz DFDPQFHGQFHVIW-PSASIEDQSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@H]1CS[C@@]2(CC[N@@H+](C3CC3)C2)N1 87603445 573977659 /nfs/dbraw/zinc/97/76/59/573977659.db2.gz MBOSZDHODMEIIE-WCBMZHEXSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@H]1CS[C@@]2(CC[N@H+](C3CC3)C2)N1 87603445 573977663 /nfs/dbraw/zinc/97/76/63/573977663.db2.gz MBOSZDHODMEIIE-WCBMZHEXSA-N 1 1 198.335 1.276 10 0 ADAEMO CC1(C)CCc2[nH]c[nH+]c2C1 238221503 573978806 /nfs/dbraw/zinc/97/88/06/573978806.db2.gz IYVQDEHNTVOWEN-UHFFFAOYSA-N 1 1 150.225 1.925 10 0 ADAEMO CC1(C)CCc2[nH+]c[nH]c2C1 238221503 573978808 /nfs/dbraw/zinc/97/88/08/573978808.db2.gz IYVQDEHNTVOWEN-UHFFFAOYSA-N 1 1 150.225 1.925 10 0 ADAEMO [NH3+][C@H]1NCCc2c1[nH]c1ccccc21 259257023 573978990 /nfs/dbraw/zinc/97/89/90/573978990.db2.gz ATFASSSYZLYHQL-NSHDSACASA-N 1 1 187.246 1.271 10 0 ADAEMO Cc1n[nH]c(C)c1[C@@H]1[NH2+]CCS1 87602504 573979222 /nfs/dbraw/zinc/97/92/22/573979222.db2.gz DMUDHPIEAMFAIG-MRVPVSSYSA-N 1 1 183.280 1.362 10 0 ADAEMO Cc1nn(C)c(C)c1[C@@H]1[NH2+]CCS1 87602461 573979272 /nfs/dbraw/zinc/97/92/72/573979272.db2.gz ICHWGBNYWTVQTK-SECBINFHSA-N 1 1 197.307 1.372 10 0 ADAEMO CC(C)C[C@H](C)[N@@H+](C)CCN 42562702 573980640 /nfs/dbraw/zinc/98/06/40/573980640.db2.gz HMYQJHYIQWXHII-VIFPVBQESA-N 1 1 158.289 1.312 10 0 ADAEMO CC(C)C[C@H](C)N(C)CC[NH3+] 42562702 573980644 /nfs/dbraw/zinc/98/06/44/573980644.db2.gz HMYQJHYIQWXHII-VIFPVBQESA-N 1 1 158.289 1.312 10 0 ADAEMO C[C@@H]1CS[C@]2(CC[N@@H+](C3CC3)C2)N1 87603442 573980794 /nfs/dbraw/zinc/98/07/94/573980794.db2.gz MBOSZDHODMEIIE-SCZZXKLOSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@@H]1CS[C@]2(CC[N@H+](C3CC3)C2)N1 87603442 573980798 /nfs/dbraw/zinc/98/07/98/573980798.db2.gz MBOSZDHODMEIIE-SCZZXKLOSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@H]1CN[C@@]2(CC[N@@H+](C3CC3)C2)S1 87602930 573980856 /nfs/dbraw/zinc/98/08/56/573980856.db2.gz DFDPQFHGQFHVIW-WPRPVWTQSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@H]1CN[C@@]2(CC[N@H+](C3CC3)C2)S1 87602930 573980861 /nfs/dbraw/zinc/98/08/61/573980861.db2.gz DFDPQFHGQFHVIW-WPRPVWTQSA-N 1 1 198.335 1.276 10 0 ADAEMO C1CN[C@@]2(C[NH+]3CCC2CC3)SC1 87603585 573980916 /nfs/dbraw/zinc/98/09/16/573980916.db2.gz NSAFMYHMWKWDKN-JTQLQIEISA-N 1 1 198.335 1.135 10 0 ADAEMO CC1=CC(C)(C)CC2=NCC[NH2+][C@@H]12 238223744 573981128 /nfs/dbraw/zinc/98/11/28/573981128.db2.gz IAMRHFGUWXUIHL-JTQLQIEISA-N 1 1 178.279 1.775 10 0 ADAEMO CCCCc1nc([C@H]([NH3+])COC)no1 127966008 573981338 /nfs/dbraw/zinc/98/13/38/573981338.db2.gz ANNZOLHFLPAKMS-SSDOTTSWSA-N 1 1 199.254 1.058 10 0 ADAEMO C[Si](C)(C)C[N@H+]1CCC[C@@H]1CN 401701374 573981445 /nfs/dbraw/zinc/98/14/45/573981445.db2.gz ZRRYXCIPRFOJCJ-SECBINFHSA-N 1 1 186.375 1.287 10 0 ADAEMO C[C@@H]1CCN[C@@]2(CC[N@@H+](C)C2)S1 87605283 573981481 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/nfs/dbraw/zinc/01/06/75/574010675.db2.gz FDKRWMFFQVONMH-LBPRGKRZSA-N 1 1 196.338 1.718 10 0 ADAEMO C[C@@H](CC1CCC1)[N@H+]1CCCNCC1 123368654 574010104 /nfs/dbraw/zinc/01/01/04/574010104.db2.gz BESQVBRLZZSEBA-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H](CC1CCC1)N1CCC[NH2+]CC1 123368654 574010107 /nfs/dbraw/zinc/01/01/07/574010107.db2.gz BESQVBRLZZSEBA-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO Oc1cc([C@@H]2CC[NH2+]2)cc(F)c1F 104492763 574010124 /nfs/dbraw/zinc/01/01/24/574010124.db2.gz AWVUAZLAVHQPLL-ZETCQYMHSA-N 1 1 185.173 1.705 10 0 ADAEMO CC[N@@H+]1C[C@@H]2CCCC[C@H](C1)C2O 238246535 574010166 /nfs/dbraw/zinc/01/01/66/574010166.db2.gz GLUDUTVUIMSMFG-ZACCUICWSA-N 1 1 183.295 1.489 10 0 ADAEMO C[N@H+]1CC[C@@H](n2cc(C3CC3)nn2)C1 585380214 574010279 /nfs/dbraw/zinc/01/02/79/574010279.db2.gz SQRUGSNOPJLHRA-SECBINFHSA-N 1 1 192.266 1.032 10 0 ADAEMO CC[NH2+][C@H](C)C(F)F 87687444 574010304 /nfs/dbraw/zinc/01/03/04/574010304.db2.gz ZXLSGXXOXYMWCU-SCSAIBSYSA-N 1 1 123.146 1.250 10 0 ADAEMO Cc1cc(C(=O)C[NH3+])cc(F)c1F 258201156 574010345 /nfs/dbraw/zinc/01/03/45/574010345.db2.gz YMAXMLVZQIBLGV-UHFFFAOYSA-N 1 1 185.173 1.415 10 0 ADAEMO Oc1cc([C@H]2CC[NH2+]2)cc(F)c1F 104492769 574010373 /nfs/dbraw/zinc/01/03/73/574010373.db2.gz AWVUAZLAVHQPLL-SSDOTTSWSA-N 1 1 185.173 1.705 10 0 ADAEMO CCc1cccc(Cl)c1[C@@H]([NH3+])CN 104493825 574010393 /nfs/dbraw/zinc/01/03/93/574010393.db2.gz RAMZKRCANOCABI-VIFPVBQESA-N 1 1 198.697 1.861 10 0 ADAEMO CC[N@H+]1C[C@H](C)[C@@H](NC(C)=O)C[C@@H]1C 238247331 574010396 /nfs/dbraw/zinc/01/03/96/574010396.db2.gz LRCSVLPYVHWGOL-QXEWZRGKSA-N 1 1 198.310 1.241 10 0 ADAEMO NC[C@H]([NH3+])c1cncc2ccccc12 104494346 574010503 /nfs/dbraw/zinc/01/05/03/574010503.db2.gz FBXZUTLUTRHNJM-NSHDSACASA-N 1 1 187.246 1.193 10 0 ADAEMO CCC[C@@H]([NH2+]C)C(F)F 87687460 574010533 /nfs/dbraw/zinc/01/05/33/574010533.db2.gz VWEJUQDEPAOYSP-RXMQYKEDSA-N 1 1 137.173 1.640 10 0 ADAEMO C[NH+](C)C(C)(C)CNCc1ccc[nH]1 48436966 574010557 /nfs/dbraw/zinc/01/05/57/574010557.db2.gz KVYIHEONYPDICI-UHFFFAOYSA-N 1 1 195.310 1.445 10 0 ADAEMO CC[NH2+][C@@H](C)C(F)F 87687443 574010614 /nfs/dbraw/zinc/01/06/14/574010614.db2.gz ZXLSGXXOXYMWCU-BYPYZUCNSA-N 1 1 123.146 1.250 10 0 ADAEMO C[N@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 585380217 574010617 /nfs/dbraw/zinc/01/06/17/574010617.db2.gz SQRUGSNOPJLHRA-VIFPVBQESA-N 1 1 192.266 1.032 10 0 ADAEMO Oc1cc(F)cc([C@@H]2COCC[NH2+]2)c1 104494889 574012429 /nfs/dbraw/zinc/01/24/29/574012429.db2.gz IBLHZGPWHRQBEF-JTQLQIEISA-N 1 1 197.209 1.192 10 0 ADAEMO C[C@@H]1CN[C@]2(CC[N@H+]3CCC[C@@H]32)S1 123375299 574012465 /nfs/dbraw/zinc/01/24/65/574012465.db2.gz AYVRKAZXMHKSFH-OPRDCNLKSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@@H]1C[NH2+][C@]2(CCN3CCC[C@@H]32)S1 123375299 574012471 /nfs/dbraw/zinc/01/24/71/574012471.db2.gz AYVRKAZXMHKSFH-OPRDCNLKSA-N 1 1 198.335 1.276 10 0 ADAEMO CCCC[C@@H]([NH3+])C(=O)OCC(C)C 48634821 574012504 /nfs/dbraw/zinc/01/25/04/574012504.db2.gz MEBYXYGXJPAWGW-SECBINFHSA-N 1 1 187.283 1.703 10 0 ADAEMO CCCC[C@H]([NH3+])C(=O)OC1CCCC1 48632281 574012512 /nfs/dbraw/zinc/01/25/12/574012512.db2.gz IUOACKPBUIGWOM-JTQLQIEISA-N 1 1 199.294 1.990 10 0 ADAEMO CCC[C@H]([NH2+]C)C(F)F 87687459 574012515 /nfs/dbraw/zinc/01/25/15/574012515.db2.gz VWEJUQDEPAOYSP-YFKPBYRVSA-N 1 1 137.173 1.640 10 0 ADAEMO Cn1c[nH+]cc1Cn1cccc1 85191994 574012524 /nfs/dbraw/zinc/01/25/24/574012524.db2.gz VZQCUUDZZSVMIN-UHFFFAOYSA-N 1 1 161.208 1.270 10 0 ADAEMO CC(C)[N@@H+](CCO)Cc1cc[nH]c1 128050750 574012573 /nfs/dbraw/zinc/01/25/73/574012573.db2.gz VLINCHJOQQNEDK-UHFFFAOYSA-N 1 1 182.267 1.217 10 0 ADAEMO C[N@H+]1CCC[C@@](O)(C(F)F)CC1 87687148 574012600 /nfs/dbraw/zinc/01/26/00/574012600.db2.gz UWDYNQAGJBCSQI-QMMMGPOBSA-N 1 1 179.210 1.098 10 0 ADAEMO CC[C@@H]1CCCC[C@H]1OC(=O)[C@H](C)[NH3+] 48634619 574012661 /nfs/dbraw/zinc/01/26/61/574012661.db2.gz MDRDIIWPZJIXLS-IVZWLZJFSA-N 1 1 199.294 1.846 10 0 ADAEMO C[C@@H]1CS[C@]2(CC[N@H+]3CCC[C@@H]32)N1 123376251 574012675 /nfs/dbraw/zinc/01/26/75/574012675.db2.gz DHDUJKYDSNTXLW-BBBLOLIVSA-N 1 1 198.335 1.276 10 0 ADAEMO C[C@@H]1CS[C@]2(CCN3CCC[C@@H]32)[NH2+]1 123376251 574012680 /nfs/dbraw/zinc/01/26/80/574012680.db2.gz DHDUJKYDSNTXLW-BBBLOLIVSA-N 1 1 198.335 1.276 10 0 ADAEMO CCC[C@@H]([NH3+])C(=O)OC1CCCC1 48632286 574012755 /nfs/dbraw/zinc/01/27/55/574012755.db2.gz CUWUDIYTTLMYHS-SECBINFHSA-N 1 1 185.267 1.600 10 0 ADAEMO COc1cccc([C@H]([NH3+])C(F)F)c1 87687325 574012724 /nfs/dbraw/zinc/01/27/24/574012724.db2.gz BDUXQGZEJVDIQB-QMMMGPOBSA-N 1 1 187.189 1.960 10 0 ADAEMO CN1C[C@H]2C[NH+](C3CCCC3)C[C@@H]2C1 585382924 574013580 /nfs/dbraw/zinc/01/35/80/574013580.db2.gz WBYTWQKHSMIHSF-QWRGUYRKSA-N 1 1 194.322 1.422 10 0 ADAEMO CN[C@@]1(C(F)F)CC[N@H+]2CCC[C@@H]21 123396604 574013607 /nfs/dbraw/zinc/01/36/07/574013607.db2.gz MLHQECXKEYWXBI-APPZFPTMSA-N 1 1 190.237 1.078 10 0 ADAEMO CC(C)C[C@H](C)OC(=O)[C@H](C)[NH3+] 48632436 574013608 /nfs/dbraw/zinc/01/36/08/574013608.db2.gz OEMFVPHMHGEUQG-YUMQZZPRSA-N 1 1 173.256 1.311 10 0 ADAEMO Cc1c(F)cc(F)cc1[C@@H]([NH3+])CN 104495629 574013642 /nfs/dbraw/zinc/01/36/42/574013642.db2.gz CSLNDOSYTAFGCQ-VIFPVBQESA-N 1 1 186.205 1.232 10 0 ADAEMO CC(C)COC(=O)[C@@H]([NH3+])C(C)(C)C 48634827 574013673 /nfs/dbraw/zinc/01/36/73/574013673.db2.gz IHSPXLCPAPYFPQ-MRVPVSSYSA-N 1 1 187.283 1.559 10 0 ADAEMO C[N@H+](C1CCCCC1)[C@@H]1CCNC1=O 585381835 574013705 /nfs/dbraw/zinc/01/37/05/574013705.db2.gz APKWCGBTEIZMNK-SNVBAGLBSA-N 1 1 196.294 1.139 10 0 ADAEMO C1CN[C@]2(CC[N@@H+]3CCC[C@H]32)SC1 123377766 574013766 /nfs/dbraw/zinc/01/37/66/574013766.db2.gz YHSSICABKOUXTI-VHSXEESVSA-N 1 1 198.335 1.277 10 0 ADAEMO Cc1n[nH]c(CCCCCC[NH3+])n1 48630494 574013780 /nfs/dbraw/zinc/01/37/80/574013780.db2.gz ACXGLFBRYWGOSX-UHFFFAOYSA-N 1 1 182.271 1.175 10 0 ADAEMO CC[C@H]1CCCC[C@@H]1OC(=O)[C@H](C)[NH3+] 48634616 574013834 /nfs/dbraw/zinc/01/38/34/574013834.db2.gz MDRDIIWPZJIXLS-GUBZILKMSA-N 1 1 199.294 1.846 10 0 ADAEMO C[NH2+][C@]1(C(F)F)CCO[C@H](C)C1 87688738 574013846 /nfs/dbraw/zinc/01/38/46/574013846.db2.gz IVJPRZPMMYARCL-HTRCEHHLSA-N 1 1 179.210 1.409 10 0 ADAEMO CN[C@@]1(C(F)F)CCC[N@@H+](C)CC1 87688566 574013873 /nfs/dbraw/zinc/01/38/73/574013873.db2.gz XWZFTYRDKBXCOC-VIFPVBQESA-N 1 1 192.253 1.325 10 0 ADAEMO CC[C@@H]1CCCC[C@H]1OC(=O)C[NH3+] 48634094 574013964 /nfs/dbraw/zinc/01/39/64/574013964.db2.gz WFDSCPOLOJTNFF-RKDXNWHRSA-N 1 1 185.267 1.457 10 0 ADAEMO C1CN[C@@]2(CC[N@@H+]3CCC[C@H]32)SC1 123377365 574013965 /nfs/dbraw/zinc/01/39/65/574013965.db2.gz YHSSICABKOUXTI-UWVGGRQHSA-N 1 1 198.335 1.277 10 0 ADAEMO CCc1cc(Cl)ccc1[C@H]([NH3+])CN 104495239 574014047 /nfs/dbraw/zinc/01/40/47/574014047.db2.gz JFTAVDVVLHKFOV-SNVBAGLBSA-N 1 1 198.697 1.861 10 0 ADAEMO CCc1nc(CCCCC[NH3+])n[nH]1 48630925 574014060 /nfs/dbraw/zinc/01/40/60/574014060.db2.gz YXDGIUVGKOTIEH-UHFFFAOYSA-N 1 1 182.271 1.039 10 0 ADAEMO CCc1nnc(CCCCC[NH3+])[nH]1 48630925 574014063 /nfs/dbraw/zinc/01/40/63/574014063.db2.gz YXDGIUVGKOTIEH-UHFFFAOYSA-N 1 1 182.271 1.039 10 0 ADAEMO CC[C@H]1C[C@@]([NH2+]C)(C(F)F)CCO1 87688401 574016208 /nfs/dbraw/zinc/01/62/08/574016208.db2.gz VJSSQFYIEBNMTP-IONNQARKSA-N 1 1 193.237 1.799 10 0 ADAEMO CC[C@@H]1C[C@@]([NH2+]C)(C(F)F)CCO1 87688400 574015253 /nfs/dbraw/zinc/01/52/53/574015253.db2.gz VJSSQFYIEBNMTP-VXNVDRBHSA-N 1 1 193.237 1.799 10 0 ADAEMO Cc1cc(C[NH+]2CC(CF)C2)on1 585381791 574015261 /nfs/dbraw/zinc/01/52/61/574015261.db2.gz ZHYRSKSOJBZQBW-UHFFFAOYSA-N 1 1 184.214 1.384 10 0 ADAEMO CN1CCC[C@@H]([N@@H+](C)C2CCC2)C1=O 585383908 574016182 /nfs/dbraw/zinc/01/61/82/574016182.db2.gz QBYYRPJVMLCOHG-SNVBAGLBSA-N 1 1 196.294 1.092 10 0 ADAEMO C[C@]([NH3+])(c1ccncc1)C(F)F 87688037 574015310 /nfs/dbraw/zinc/01/53/10/574015310.db2.gz YLCSESFDUFCFLN-QMMMGPOBSA-N 1 1 172.178 1.521 10 0 ADAEMO N[C@@]1(C(F)(F)F)CC[N@H+]2CCC[C@H]21 123393251 574015329 /nfs/dbraw/zinc/01/53/29/574015329.db2.gz KECLDTQCCGBNNB-BQBZGAKWSA-N 1 1 194.200 1.114 10 0 ADAEMO CN[C@]1(C(F)F)CCC[N@@H+](C)CC1 87688565 574015356 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179.223 1.196 10 0 ADAEMO CN1CCC[C@H]([N@@H+](C)C2CCC2)C1=O 585383907 574017643 /nfs/dbraw/zinc/01/76/43/574017643.db2.gz QBYYRPJVMLCOHG-JTQLQIEISA-N 1 1 196.294 1.092 10 0 ADAEMO CC(C)(C)Oc1nnc(C[NH3+])s1 87698996 574017470 /nfs/dbraw/zinc/01/74/70/574017470.db2.gz XBTCLIUCCRXLSV-UHFFFAOYSA-N 1 1 187.268 1.174 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1cc(N)ccc1Cl 104500907 574017523 /nfs/dbraw/zinc/01/75/23/574017523.db2.gz IMMPIVFXPUMEPO-SECBINFHSA-N 1 1 198.653 1.511 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1cnc(Cl)c(C)c1 104500916 574017528 /nfs/dbraw/zinc/01/75/28/574017528.db2.gz FHFQYPLBFMBWLM-QMMMGPOBSA-N 1 1 198.653 1.632 10 0 ADAEMO CC(C)C[NH+]1C[C@H]2CN(C)C[C@@H]2C1 585382955 574017529 /nfs/dbraw/zinc/01/75/29/574017529.db2.gz WLEPGEBDHUCCAG-GHMZBOCLSA-N 1 1 182.311 1.136 10 0 ADAEMO C[N@H+]1CCn2nc(C3CC3)cc2C1 585385020 574017586 /nfs/dbraw/zinc/01/75/86/574017586.db2.gz KMWCPELILFYFLB-UHFFFAOYSA-N 1 1 177.251 1.206 10 0 ADAEMO CC[NH2+][C@](COC)(C(F)F)C1CC1 87689088 574017633 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/nfs/dbraw/zinc/02/30/28/574023028.db2.gz MTGRPQJQFNGTBE-UHFFFAOYSA-N 1 1 162.192 1.135 10 0 ADAEMO Nc1cccc(Nc2cccnc2)[nH+]1 87726753 574023259 /nfs/dbraw/zinc/02/32/59/574023259.db2.gz WJQJXRJNTQZVJK-UHFFFAOYSA-N 1 1 186.218 1.802 10 0 ADAEMO CCC[C@@H](N)C(C)(C)[NH2+]C 259279227 574023279 /nfs/dbraw/zinc/02/32/79/574023279.db2.gz JDURLJBQKXWTLR-SSDOTTSWSA-N 1 1 144.262 1.112 10 0 ADAEMO C[C@H](CNc1cccc(N)n1)[NH+](C)C 87726013 574023297 /nfs/dbraw/zinc/02/32/97/574023297.db2.gz XXXAIAGUFOSAEY-MRVPVSSYSA-N 1 1 194.282 1.026 10 0 ADAEMO C[N@@H+]1CCC[C@H]1c1ccc(Cl)nn1 259278015 574023499 /nfs/dbraw/zinc/02/34/99/574023499.db2.gz BIJLACNPAZGPBJ-QMMMGPOBSA-N 1 1 197.669 1.897 10 0 ADAEMO C[N@H+]1CCC[C@H]1c1ccc(Cl)nn1 259278015 574023501 /nfs/dbraw/zinc/02/35/01/574023501.db2.gz BIJLACNPAZGPBJ-QMMMGPOBSA-N 1 1 197.669 1.897 10 0 ADAEMO C[C@H]1CCc2[nH+]c(N)[nH]c2[C@@H]1C 85279397 574027262 /nfs/dbraw/zinc/02/72/62/574027262.db2.gz QMHQLJGZICTCJJ-NTSWFWBYSA-N 1 1 165.240 1.678 10 0 ADAEMO CC(=O)C[C@@H]1CCC[N@H+]1CCF 87775538 574031510 /nfs/dbraw/zinc/03/15/10/574031510.db2.gz RYHQTDMGWAQERG-VIFPVBQESA-N 1 1 173.231 1.399 10 0 ADAEMO Cc1csc([C@H]2CC[N@H+](C)C2)n1 259379721 574024584 /nfs/dbraw/zinc/02/45/84/574024584.db2.gz RRPLUKWAUFGYCL-QMMMGPOBSA-N 1 1 182.292 1.871 10 0 ADAEMO C[NH2+]CCC[N@@H+](C)[C@@H](C)CC(C)C 42590208 574024741 /nfs/dbraw/zinc/02/47/41/574024741.db2.gz NMRARWKMICMJJI-NSHDSACASA-N 1 1 186.343 1.962 10 0 ADAEMO CC[N@@H+](C)[C@]1(CN)CCC(C)(C)C1 87772499 574027492 /nfs/dbraw/zinc/02/74/92/574027492.db2.gz SRLZANWUEKYNLG-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCN(C)[C@]1(C[NH3+])CCC(C)(C)C1 87772499 574027493 /nfs/dbraw/zinc/02/74/93/574027493.db2.gz SRLZANWUEKYNLG-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[N@H+](CCN)CCOC(C)C 49259296 574025646 /nfs/dbraw/zinc/02/56/46/574025646.db2.gz SQCZSISJHGJQPU-UHFFFAOYSA-N 1 1 188.315 1.082 10 0 ADAEMO CCC[N@@H+](CCN)CCOC(C)C 49259296 574025649 /nfs/dbraw/zinc/02/56/49/574025649.db2.gz SQCZSISJHGJQPU-UHFFFAOYSA-N 1 1 188.315 1.082 10 0 ADAEMO CC(C)NCC[NH2+]C(C1CC1)C1CC1 49237967 574025781 /nfs/dbraw/zinc/02/57/81/574025781.db2.gz ACIBHTFANIKHEE-UHFFFAOYSA-N 1 1 196.338 1.763 10 0 ADAEMO CNCC[N@H+](CC(C)C)C(C)C 42590303 574026029 /nfs/dbraw/zinc/02/60/29/574026029.db2.gz OFISWRJORIMAGZ-UHFFFAOYSA-N 1 1 172.316 1.572 10 0 ADAEMO CNCC[N@@H+](CC(C)C)C(C)C 42590303 574026033 /nfs/dbraw/zinc/02/60/33/574026033.db2.gz OFISWRJORIMAGZ-UHFFFAOYSA-N 1 1 172.316 1.572 10 0 ADAEMO Cc1cc(N)nc(C[N@@H+](C)C(C)C)n1 87735290 574026313 /nfs/dbraw/zinc/02/63/13/574026313.db2.gz RAXLDJAQPOFKJT-UHFFFAOYSA-N 1 1 194.282 1.207 10 0 ADAEMO Cc1cc(N)nc(C[N@H+](C)C(C)C)n1 87735290 574026316 /nfs/dbraw/zinc/02/63/16/574026316.db2.gz RAXLDJAQPOFKJT-UHFFFAOYSA-N 1 1 194.282 1.207 10 0 ADAEMO CC[N@H+](C)Cc1nc(C)cc(NC)n1 87735307 574026382 /nfs/dbraw/zinc/02/63/82/574026382.db2.gz VNBQRAUWQUUYQZ-UHFFFAOYSA-N 1 1 194.282 1.278 10 0 ADAEMO CC[N@@H+](C)Cc1nc(C)cc(NC)n1 87735307 574026383 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CCN(C)[C@@]1(C[NH3+])CCC(C)(C)C1 87772500 574026904 /nfs/dbraw/zinc/02/69/04/574026904.db2.gz SRLZANWUEKYNLG-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC1(C)CC[C@H]([NH+]2CC(N)C2)C1 87772921 574026923 /nfs/dbraw/zinc/02/69/23/574026923.db2.gz JFZOXRPAUWZHGZ-VIFPVBQESA-N 1 1 168.284 1.208 10 0 ADAEMO Nc1[nH]c2c([nH+]1)CCc1sccc1-2 85279266 574026957 /nfs/dbraw/zinc/02/69/57/574026957.db2.gz ZNAVGRMPPFFSDN-UHFFFAOYSA-N 1 1 191.259 1.819 10 0 ADAEMO CC(C)[C@H](CN(C)C)N1CCCC1=[NH2+] 49217137 574026976 /nfs/dbraw/zinc/02/69/76/574026976.db2.gz NVJRDAJPIITWQU-JTQLQIEISA-N 1 1 197.326 1.646 10 0 ADAEMO CC1(C)CC[C@H](N2CC[NH2+]CC2)C1 87772842 574027120 /nfs/dbraw/zinc/02/71/20/574027120.db2.gz WTSGKTSYRPIVHV-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@]1(c2ncc(C[NH3+])[nH]2)CCCCO1 87764779 574027135 /nfs/dbraw/zinc/02/71/35/574027135.db2.gz YWBQDXNKYZWWFB-SNVBAGLBSA-N 1 1 195.266 1.284 10 0 ADAEMO C[NH2+][C@@]1(C(=O)OC)CCC(C)(C)C1 87772743 574027443 /nfs/dbraw/zinc/02/74/43/574027443.db2.gz 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87772864 574027415 /nfs/dbraw/zinc/02/74/15/574027415.db2.gz XLTWDZSLISQYCD-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CN(C)[C@@]1(C[NH3+])CCC(C)(C)C1 87772492 574028488 /nfs/dbraw/zinc/02/84/88/574028488.db2.gz ZFOFZYJYPXLEDB-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H]1C[NH2+]c2ccc(N)cc2OC1 259283521 574028510 /nfs/dbraw/zinc/02/85/10/574028510.db2.gz PSKNNJFXEDYAQE-SSDOTTSWSA-N 1 1 178.235 1.709 10 0 ADAEMO CC[C@@H]1CCc2[nH+]c(N)[nH]c2C1 85279282 574028523 /nfs/dbraw/zinc/02/85/23/574028523.db2.gz LTDUELNNISAMNR-ZCFIWIBFSA-N 1 1 165.240 1.507 10 0 ADAEMO C[C@@H]1Cc2[nH+]c(N)[nH]c2[C@H](C)C1 85279317 574028549 /nfs/dbraw/zinc/02/85/49/574028549.db2.gz GMIKUGROQPFJIH-NTSWFWBYSA-N 1 1 165.240 1.678 10 0 ADAEMO C[C@@H]1CCCc2[nH+]c(N)[nH]c21 85279224 574028555 /nfs/dbraw/zinc/02/85/55/574028555.db2.gz NUELNSZYYHDJMB-RXMQYKEDSA-N 1 1 151.213 1.432 10 0 ADAEMO CC(C)[C@H]1CCc2[nH+]c(N)[nH]c2C1 85279229 574028568 /nfs/dbraw/zinc/02/85/68/574028568.db2.gz GCHYLCWCLDZFIB-ZETCQYMHSA-N 1 1 179.267 1.753 10 0 ADAEMO C[C@H]1Cc2[nH+]c(N)[nH]c2[C@H](C)C1 85279318 574028587 /nfs/dbraw/zinc/02/85/87/574028587.db2.gz GMIKUGROQPFJIH-PHDIDXHHSA-N 1 1 165.240 1.678 10 0 ADAEMO CCn1cncc1[C@H]1[NH2+]C[C@@H](C)S1 85301372 574028913 /nfs/dbraw/zinc/02/89/13/574028913.db2.gz HMORLQSYCUKLRI-APPZFPTMSA-N 1 1 197.307 1.627 10 0 ADAEMO CC[C@H]([NH2+]C)C1(CN)CCC1 259283954 574028702 /nfs/dbraw/zinc/02/87/02/574028702.db2.gz IKLNQVJPENEHJE-QMMMGPOBSA-N 1 1 156.273 1.113 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1CNCCF 87774661 574028776 /nfs/dbraw/zinc/02/87/76/574028776.db2.gz MZFBNHPFQPIUFE-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1CNCCF 87774661 574028777 /nfs/dbraw/zinc/02/87/77/574028777.db2.gz MZFBNHPFQPIUFE-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO CCn1cncc1[C@@H]1[NH2+]C[C@H](C)S1 85301369 574028816 /nfs/dbraw/zinc/02/88/16/574028816.db2.gz HMORLQSYCUKLRI-IONNQARKSA-N 1 1 197.307 1.627 10 0 ADAEMO CNc1c(C)n[nH]c1[C@H]1CC[N@@H+](C)C1 259284241 574030011 /nfs/dbraw/zinc/03/00/11/574030011.db2.gz RNNVQZMYZHVXMH-QMMMGPOBSA-N 1 1 194.282 1.179 10 0 ADAEMO CC[N@H+]1CC[C@H](CCO)CC1(C)C 259285702 574031334 /nfs/dbraw/zinc/03/13/34/574031334.db2.gz GTCVTGXHIGLSMQ-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO CNc1c([C@H]2CC[N@H+](C)C2)n[nH]c1C 259284241 574030013 /nfs/dbraw/zinc/03/00/13/574030013.db2.gz RNNVQZMYZHVXMH-QMMMGPOBSA-N 1 1 194.282 1.179 10 0 ADAEMO CNc1c([C@H]2CC[N@@H+](C)C2)n[nH]c1C 259284241 574030015 /nfs/dbraw/zinc/03/00/15/574030015.db2.gz RNNVQZMYZHVXMH-QMMMGPOBSA-N 1 1 194.282 1.179 10 0 ADAEMO C[C@H]1C[NH2+][C@H](c2cnn(C)c2)S1 85302356 574030118 /nfs/dbraw/zinc/03/01/18/574030118.db2.gz JKAXKWBVNXCSKF-XPUUQOCRSA-N 1 1 183.280 1.144 10 0 ADAEMO CCn1cncc1[C@@H]1[NH2+]C[C@@H](C)S1 85301371 574030180 /nfs/dbraw/zinc/03/01/80/574030180.db2.gz HMORLQSYCUKLRI-VXNVDRBHSA-N 1 1 197.307 1.627 10 0 ADAEMO CC[C@@H]([NH2+]C)C1(CN)CCC1 259283949 574030200 /nfs/dbraw/zinc/03/02/00/574030200.db2.gz IKLNQVJPENEHJE-MRVPVSSYSA-N 1 1 156.273 1.113 10 0 ADAEMO COCCCc1cn2c([nH+]1)CCCC2 258468826 574030214 /nfs/dbraw/zinc/03/02/14/574030214.db2.gz QDZLKCMBRNLAHP-UHFFFAOYSA-N 1 1 194.278 1.798 10 0 ADAEMO CC[N@H+]1CC[C@@H](CCO)CC1(C)C 259285699 574031458 /nfs/dbraw/zinc/03/14/58/574031458.db2.gz GTCVTGXHIGLSMQ-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@@H]1C[NH2+][C@H](c2cnn(C)c2)S1 85302354 574030307 /nfs/dbraw/zinc/03/03/07/574030307.db2.gz JKAXKWBVNXCSKF-SVRRBLITSA-N 1 1 183.280 1.144 10 0 ADAEMO C[C@H]1C[NH2+][C@@H](c2cncn2C)S1 85301534 574030362 /nfs/dbraw/zinc/03/03/62/574030362.db2.gz YGEZDFJWJZSOSI-POYBYMJQSA-N 1 1 183.280 1.144 10 0 ADAEMO C[C@@H]1C[NH2+][C@H](c2cncn2C)S1 85301524 574030584 /nfs/dbraw/zinc/03/05/84/574030584.db2.gz YGEZDFJWJZSOSI-SVRRBLITSA-N 1 1 183.280 1.144 10 0 ADAEMO C[N@@H+](CCF)C1CCC(=O)CC1 87775533 574030598 /nfs/dbraw/zinc/03/05/98/574030598.db2.gz MVHRIUZMJCTUIW-UHFFFAOYSA-N 1 1 173.231 1.399 10 0 ADAEMO CC[C@H](C)N1CC[NH2+]C(C)(C)CC1 259285640 574030614 /nfs/dbraw/zinc/03/06/14/574030614.db2.gz OPURTPKFFGTRLP-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO FCC[NH2+][C@@H]1COc2ccccc21 87775204 574030699 /nfs/dbraw/zinc/03/06/99/574030699.db2.gz MHMNKSCEARPGPH-SECBINFHSA-N 1 1 181.210 1.679 10 0 ADAEMO C[C@H]1C[NH2+][C@H](c2cncn2C)S1 85301528 574030723 /nfs/dbraw/zinc/03/07/23/574030723.db2.gz YGEZDFJWJZSOSI-XPUUQOCRSA-N 1 1 183.280 1.144 10 0 ADAEMO CNC(C)(C)[C@H]([NH2+]C)C(C)(C)C 259286368 574030794 /nfs/dbraw/zinc/03/07/94/574030794.db2.gz IMTAVYAXKXVZIB-MRVPVSSYSA-N 1 1 172.316 1.619 10 0 ADAEMO CNC(C)(C)[C@@H]([NH2+]C)C(C)(C)C 259286370 574030817 /nfs/dbraw/zinc/03/08/17/574030817.db2.gz IMTAVYAXKXVZIB-QMMMGPOBSA-N 1 1 172.316 1.619 10 0 ADAEMO O=C1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCF 87775536 574030851 /nfs/dbraw/zinc/03/08/51/574030851.db2.gz FVNCYHHIMXVZCI-NXEZZACHSA-N 1 1 199.269 1.790 10 0 ADAEMO CC(=O)C[C@@H]1CCCC[N@H+]1CCF 87775544 574030912 /nfs/dbraw/zinc/03/09/12/574030912.db2.gz UCILGSAILUUPJA-JTQLQIEISA-N 1 1 187.258 1.790 10 0 ADAEMO CC[C@@H](C)N1CC[NH2+]C(C)(C)CC1 259285643 574031031 /nfs/dbraw/zinc/03/10/31/574031031.db2.gz OPURTPKFFGTRLP-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC(=O)[C@H]1CCC[N@@H+](CCF)C1 87775527 574031141 /nfs/dbraw/zinc/03/11/41/574031141.db2.gz GRDBYDULJPIHFO-VIFPVBQESA-N 1 1 173.231 1.257 10 0 ADAEMO C[C@H]1CS[C@H](c2ccccn2)[NH2+]1 85309896 574031182 /nfs/dbraw/zinc/03/11/82/574031182.db2.gz YVOWDDGCHMKDJS-IONNQARKSA-N 1 1 180.276 1.805 10 0 ADAEMO C[C@@H]1CS[C@H](c2cccnc2)[NH2+]1 85310013 574031432 /nfs/dbraw/zinc/03/14/32/574031432.db2.gz UXAHUAMMMNJXIE-VXNVDRBHSA-N 1 1 180.276 1.805 10 0 ADAEMO C[C@@H]1CS[C@@H](c2ccccn2)[NH2+]1 85309897 574031247 /nfs/dbraw/zinc/03/12/47/574031247.db2.gz YVOWDDGCHMKDJS-APPZFPTMSA-N 1 1 180.276 1.805 10 0 ADAEMO Cc1nc(C[NH2+][C@H]2CCOC2)oc1C 87786451 574035216 /nfs/dbraw/zinc/03/52/16/574035216.db2.gz LTNVIVACIPCNCY-VIFPVBQESA-N 1 1 196.250 1.170 10 0 ADAEMO C[C@@H]1C(=O)CC[N@H+]([C@@H]2CCOC2)[C@H]1C 87787573 574035048 /nfs/dbraw/zinc/03/50/48/574035048.db2.gz FYTRHYKOHOLXDL-LPEHRKFASA-N 1 1 197.278 1.075 10 0 ADAEMO C[C@@H]1C(=O)CC[N@@H+]([C@@H]2CCOC2)[C@H]1C 87787573 574035051 /nfs/dbraw/zinc/03/50/51/574035051.db2.gz FYTRHYKOHOLXDL-LPEHRKFASA-N 1 1 197.278 1.075 10 0 ADAEMO CC[C@@H](CN)[NH2+]Cc1cc(C)cs1 393609045 574035349 /nfs/dbraw/zinc/03/53/49/574035349.db2.gz DGVNLFRETGBSRK-VIFPVBQESA-N 1 1 198.335 1.883 10 0 ADAEMO Cc1ccc[nH+]c1N[C@@H]1CCOC1 87787820 574035468 /nfs/dbraw/zinc/03/54/68/574035468.db2.gz XBMRVKQJRYTNGB-SECBINFHSA-N 1 1 178.235 1.591 10 0 ADAEMO CCOC(=O)[C@@H](C)[NH2+][C@H](C)C1(C)CC1 49369615 574035742 /nfs/dbraw/zinc/03/57/42/574035742.db2.gz XUHORQUJSXANHM-RKDXNWHRSA-N 1 1 199.294 1.716 10 0 ADAEMO Cc1ccc[nH+]c1N[C@H]1CCOC1 87787823 574035783 /nfs/dbraw/zinc/03/57/83/574035783.db2.gz XBMRVKQJRYTNGB-VIFPVBQESA-N 1 1 178.235 1.591 10 0 ADAEMO C[NH2+][C@@H](c1ccc(F)c(C)c1)[C@@H](C)N 259289355 574035992 /nfs/dbraw/zinc/03/59/92/574035992.db2.gz HQQLWTPQYOHGIF-LDYMZIIASA-N 1 1 196.269 1.742 10 0 ADAEMO OC[C@@H]1CCCc2c[nH+]c(C3CC3)n21 258469614 574036074 /nfs/dbraw/zinc/03/60/74/574036074.db2.gz XSELWEMSSDPTGU-JTQLQIEISA-N 1 1 192.262 1.630 10 0 ADAEMO C[C@@H]1C(=O)CC[N@H+]([C@@H]2CCOC2)[C@@H]1C 87787577 574036139 /nfs/dbraw/zinc/03/61/39/574036139.db2.gz FYTRHYKOHOLXDL-IVZWLZJFSA-N 1 1 197.278 1.075 10 0 ADAEMO C[C@@H]1C(=O)CC[N@@H+]([C@@H]2CCOC2)[C@@H]1C 87787577 574036141 /nfs/dbraw/zinc/03/61/41/574036141.db2.gz FYTRHYKOHOLXDL-IVZWLZJFSA-N 1 1 197.278 1.075 10 0 ADAEMO CCCCC[NH2+][C@H](C)C(=O)OCC 49370512 574036230 /nfs/dbraw/zinc/03/62/30/574036230.db2.gz VQIIWUPMWYZAMR-SECBINFHSA-N 1 1 187.283 1.718 10 0 ADAEMO Cc1nc(C[NH2+][C@@H]2CCOC2)oc1C 87786449 574036241 /nfs/dbraw/zinc/03/62/41/574036241.db2.gz LTNVIVACIPCNCY-SECBINFHSA-N 1 1 196.250 1.170 10 0 ADAEMO C[NH2+]CC(F)(F)C1CCC1 258469069 574036257 /nfs/dbraw/zinc/03/62/57/574036257.db2.gz IBTVDYFWARKAEP-UHFFFAOYSA-N 1 1 149.184 1.641 10 0 ADAEMO CCOC(=O)[C@H](C)[NH2+][C@H](C)C1(C)CC1 49369619 574036289 /nfs/dbraw/zinc/03/62/89/574036289.db2.gz XUHORQUJSXANHM-DTWKUNHWSA-N 1 1 199.294 1.716 10 0 ADAEMO OC[C@H]1CCCc2c[nH+]c(C3CC3)n21 258469616 574036292 /nfs/dbraw/zinc/03/62/92/574036292.db2.gz XSELWEMSSDPTGU-SNVBAGLBSA-N 1 1 192.262 1.630 10 0 ADAEMO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 49369607 574036296 /nfs/dbraw/zinc/03/62/96/574036296.db2.gz XUHORQUJSXANHM-BDAKNGLRSA-N 1 1 199.294 1.716 10 0 ADAEMO Cc1nc(N)c(C)c(N(C)C(C)C)[nH+]1 87806168 574037422 /nfs/dbraw/zinc/03/74/22/574037422.db2.gz ASILPCWCSDGIID-UHFFFAOYSA-N 1 1 194.282 1.520 10 0 ADAEMO CCC(C)(C)Nc1cc(N)nc(C)[nH+]1 87801581 574037428 /nfs/dbraw/zinc/03/74/28/574037428.db2.gz KLNIJEDPNUBGMA-UHFFFAOYSA-N 1 1 194.282 1.968 10 0 ADAEMO CNc1nc(C)[nH+]c(NC2CC2)c1C 87807077 574037946 /nfs/dbraw/zinc/03/79/46/574037946.db2.gz HZNNHGFYJUMJDK-UHFFFAOYSA-N 1 1 192.266 1.709 10 0 ADAEMO Cc1c[nH+]c(N)nc1NC(C)C 87806758 574037952 /nfs/dbraw/zinc/03/79/52/574037952.db2.gz MYNZQRHJWYQIME-UHFFFAOYSA-N 1 1 166.228 1.188 10 0 ADAEMO CC(C)[C@H](C)Nc1cc(N)[nH+]cn1 87801215 574037964 /nfs/dbraw/zinc/03/79/64/574037964.db2.gz DYUJWIIJGMJMNG-ZETCQYMHSA-N 1 1 180.255 1.515 10 0 ADAEMO CNc1nc(N2CCCC2)c(C)c[nH+]1 87805735 574037262 /nfs/dbraw/zinc/03/72/62/574037262.db2.gz QIONDUKLJSFBSE-UHFFFAOYSA-N 1 1 192.266 1.427 10 0 ADAEMO COC(=O)CCc1[nH]c(C)c(C)[nH+]1 258470470 574037263 /nfs/dbraw/zinc/03/72/63/574037263.db2.gz ALHSYTTZOOGDCY-UHFFFAOYSA-N 1 1 182.223 1.132 10 0 ADAEMO CC[C@H](C)Nc1nc[nH+]c(N)c1C 87806958 574037274 /nfs/dbraw/zinc/03/72/74/574037274.db2.gz NBUQMXHRLOBSAU-LURJTMIESA-N 1 1 180.255 1.578 10 0 ADAEMO CNc1nc(N[C@@H](C)C(C)C)cc[nH+]1 87801408 574037291 /nfs/dbraw/zinc/03/72/91/574037291.db2.gz MNHKKNCLEPMZSM-QMMMGPOBSA-N 1 1 194.282 1.975 10 0 ADAEMO CCCNc1nc(N(C)C)c(C)c[nH+]1 87806484 574037310 /nfs/dbraw/zinc/03/73/10/574037310.db2.gz LGERQHMSDRWEMC-UHFFFAOYSA-N 1 1 194.282 1.673 10 0 ADAEMO Cc1c[nH+]c(N)nc1N[C@H](C)C(C)C 87801363 574037358 /nfs/dbraw/zinc/03/73/58/574037358.db2.gz NNUDIWXCRRSFMG-MRVPVSSYSA-N 1 1 194.282 1.824 10 0 ADAEMO CCC(CC)Nc1nc(N)[nH+]cc1C 87807277 574037363 /nfs/dbraw/zinc/03/73/63/574037363.db2.gz BMIZEMPUKJZBIF-UHFFFAOYSA-N 1 1 194.282 1.968 10 0 ADAEMO Cc1nc(N)cc(NC(C)(C)C)[nH+]1 87801688 574037373 /nfs/dbraw/zinc/03/73/73/574037373.db2.gz VEIFNQAXYHOPFG-UHFFFAOYSA-N 1 1 180.255 1.578 10 0 ADAEMO CCC(CC)Nc1cc(N)nc(C)[nH+]1 87807241 574037386 /nfs/dbraw/zinc/03/73/86/574037386.db2.gz OPOLJCFRSRWINY-UHFFFAOYSA-N 1 1 194.282 1.968 10 0 ADAEMO CCC(C)(C)Nc1cc(N)[nH+]cn1 87801579 574037405 /nfs/dbraw/zinc/03/74/05/574037405.db2.gz JKLZGBVCFRBIRA-UHFFFAOYSA-N 1 1 180.255 1.659 10 0 ADAEMO CCC(C)(C)Nc1cc(N)nc[nH+]1 87801579 574037406 /nfs/dbraw/zinc/03/74/06/574037406.db2.gz JKLZGBVCFRBIRA-UHFFFAOYSA-N 1 1 180.255 1.659 10 0 ADAEMO CC[NH2+][C@H](C(F)F)C1(OC)CCC1 686240655 574037437 /nfs/dbraw/zinc/03/74/37/574037437.db2.gz CYUCUNVKRSCORO-SSDOTTSWSA-N 1 1 193.237 1.799 10 0 ADAEMO CCN(CC)c1nc(N)[nH+]cc1C 87805838 574037458 /nfs/dbraw/zinc/03/74/58/574037458.db2.gz CYJXDJPRMWKWEE-UHFFFAOYSA-N 1 1 180.255 1.213 10 0 ADAEMO Cc1c(N[C@@H](C)C(C)C)nc[nH+]c1N 87801308 574037463 /nfs/dbraw/zinc/03/74/63/574037463.db2.gz KFYSDPWDMMAONQ-QMMMGPOBSA-N 1 1 194.282 1.824 10 0 ADAEMO CCNc1nc(N(C)C)c(C)c[nH+]1 87806483 574037506 /nfs/dbraw/zinc/03/75/06/574037506.db2.gz BMRRQPXHZUFMBM-UHFFFAOYSA-N 1 1 180.255 1.283 10 0 ADAEMO CNC([NH2+]C)c1ccc(C)cc1 259291557 574037515 /nfs/dbraw/zinc/03/75/15/574037515.db2.gz ITBIOTMTUIAKBJ-UHFFFAOYSA-N 1 1 164.252 1.432 10 0 ADAEMO CNc1nc(C)[nH+]c(NC(C)C)c1C 87806744 574037570 /nfs/dbraw/zinc/03/75/70/574037570.db2.gz PZDBRSRQYMSYLL-UHFFFAOYSA-N 1 1 194.282 1.955 10 0 ADAEMO CCC(C)(C)Nc1nc[nH+]c(N)c1C 87801623 574037592 /nfs/dbraw/zinc/03/75/92/574037592.db2.gz NGLAEUWSONUZIE-UHFFFAOYSA-N 1 1 194.282 1.968 10 0 ADAEMO CCNc1nc(NC2CC2)c(C)c[nH+]1 87807115 574037731 /nfs/dbraw/zinc/03/77/31/574037731.db2.gz PPQQOVSUSSKBKV-UHFFFAOYSA-N 1 1 192.266 1.791 10 0 ADAEMO Cc1nc(N)c(C)c(NC(C)C)[nH+]1 87806761 574037747 /nfs/dbraw/zinc/03/77/47/574037747.db2.gz MTWUAUOZGFJJDM-UHFFFAOYSA-N 1 1 180.255 1.496 10 0 ADAEMO Cc1nc(N)cc(NC2CCCC2)[nH+]1 87807195 574037755 /nfs/dbraw/zinc/03/77/55/574037755.db2.gz DDVPGGUGUGZRBD-UHFFFAOYSA-N 1 1 192.266 1.722 10 0 ADAEMO CC[C@H](C)Nc1nc(N)[nH+]cc1C 87806988 574037762 /nfs/dbraw/zinc/03/77/62/574037762.db2.gz FJGZYJWJTOMZLK-ZETCQYMHSA-N 1 1 180.255 1.578 10 0 ADAEMO CCNc1cc(N(C)C)[nH+]c(C)n1 87806426 574037770 /nfs/dbraw/zinc/03/77/70/574037770.db2.gz BMYOJLBHSRGKHQ-UHFFFAOYSA-N 1 1 180.255 1.283 10 0 ADAEMO Cc1nc(N)c(C)c(NCC(C)C)[nH+]1 87807172 574037811 /nfs/dbraw/zinc/03/78/11/574037811.db2.gz HXIGVZQTFCQMDC-UHFFFAOYSA-N 1 1 194.282 1.744 10 0 ADAEMO Cc1c[nH+]c(N)nc1NC(C)(C)C 87801773 574037895 /nfs/dbraw/zinc/03/78/95/574037895.db2.gz HXEDWXQSOBRXLJ-UHFFFAOYSA-N 1 1 180.255 1.578 10 0 ADAEMO Cc1c(N[C@H](C)C(C)C)nc[nH+]c1N 87801310 574037912 /nfs/dbraw/zinc/03/79/12/574037912.db2.gz KFYSDPWDMMAONQ-MRVPVSSYSA-N 1 1 194.282 1.824 10 0 ADAEMO CNc1nc(NC(C)C)c(C)c[nH+]1 87806755 574037917 /nfs/dbraw/zinc/03/79/17/574037917.db2.gz OORLECFIYAKREM-UHFFFAOYSA-N 1 1 180.255 1.647 10 0 ADAEMO Cc1c(NC(C)C)nc[nH+]c1N 87806741 574037924 /nfs/dbraw/zinc/03/79/24/574037924.db2.gz RYCZNXQZMVOLNH-UHFFFAOYSA-N 1 1 166.228 1.188 10 0 ADAEMO CCC(CC)C[C@@H]([NH3+])c1cn[nH]n1 128222177 574037931 /nfs/dbraw/zinc/03/79/31/574037931.db2.gz ZQGXZSGOJRCFOY-MRVPVSSYSA-N 1 1 182.271 1.631 10 0 ADAEMO CCC(C)(C)Nc1cc[nH+]c(N)n1 87801673 574037937 /nfs/dbraw/zinc/03/79/37/574037937.db2.gz XZWUOISGUBLLOB-UHFFFAOYSA-N 1 1 180.255 1.659 10 0 ADAEMO Cc1nc(N)c(C)c(N2CCCC2)[nH+]1 87805740 574037940 /nfs/dbraw/zinc/03/79/40/574037940.db2.gz ODZROOKLLMARGG-UHFFFAOYSA-N 1 1 192.266 1.276 10 0 ADAEMO CC(C)[C@H](C)Nc1cc(N)nc[nH+]1 87801215 574037966 /nfs/dbraw/zinc/03/79/66/574037966.db2.gz DYUJWIIJGMJMNG-ZETCQYMHSA-N 1 1 180.255 1.515 10 0 ADAEMO Cc1nc(N)c(C)c(NC(C)(C)C)[nH+]1 87801779 574037970 /nfs/dbraw/zinc/03/79/70/574037970.db2.gz GBUFHRICPRXLMX-UHFFFAOYSA-N 1 1 194.282 1.886 10 0 ADAEMO Cc1nc(N)c(C)c(NC2CC2)[nH+]1 87807094 574037987 /nfs/dbraw/zinc/03/79/87/574037987.db2.gz WOGQLZBXLOUSCI-UHFFFAOYSA-N 1 1 178.239 1.250 10 0 ADAEMO CNc1cc(N(C)C)nc(SC)[nH+]1 87806485 574038204 /nfs/dbraw/zinc/03/82/04/574038204.db2.gz SMDKUTWDHGCAMO-UHFFFAOYSA-N 1 1 198.295 1.306 10 0 ADAEMO CNc1cc(N(C)C(C)C)[nH+]c(C)n1 87806130 574038015 /nfs/dbraw/zinc/03/80/15/574038015.db2.gz GROUEOIACXUQKT-UHFFFAOYSA-N 1 1 194.282 1.671 10 0 ADAEMO CCC(CC)C[C@H]([NH2+]C)c1c[nH]nn1 128222895 574038021 /nfs/dbraw/zinc/03/80/21/574038021.db2.gz PEYBTKKAUKZUGT-VIFPVBQESA-N 1 1 196.298 1.892 10 0 ADAEMO CCC(CC)C[C@H]([NH2+]C)c1cn[nH]n1 128222895 574038023 /nfs/dbraw/zinc/03/80/23/574038023.db2.gz PEYBTKKAUKZUGT-VIFPVBQESA-N 1 1 196.298 1.892 10 0 ADAEMO Cc1c[nH+]c(N)nc1NC1CCCC1 87807225 574038054 /nfs/dbraw/zinc/03/80/54/574038054.db2.gz FQUPCKFMFWDGDW-UHFFFAOYSA-N 1 1 192.266 1.722 10 0 ADAEMO CNc1cc(N(C)C)[nH+]c(SC)n1 87806485 574038206 /nfs/dbraw/zinc/03/82/06/574038206.db2.gz SMDKUTWDHGCAMO-UHFFFAOYSA-N 1 1 198.295 1.306 10 0 ADAEMO CCCNc1[nH+]c(C)nc(N)c1C 87806677 574038058 /nfs/dbraw/zinc/03/80/58/574038058.db2.gz JDBUKIYSCXXABM-UHFFFAOYSA-N 1 1 180.255 1.498 10 0 ADAEMO CNc1cc(N[C@@H](C)C(C)C)nc[nH+]1 87801272 574038069 /nfs/dbraw/zinc/03/80/69/574038069.db2.gz WOYDMPQZLRARDZ-QMMMGPOBSA-N 1 1 194.282 1.975 10 0 ADAEMO CNc1nc(N[C@H](C)C(C)C)cc[nH+]1 87801406 574038092 /nfs/dbraw/zinc/03/80/92/574038092.db2.gz MNHKKNCLEPMZSM-MRVPVSSYSA-N 1 1 194.282 1.975 10 0 ADAEMO CC1(C)C[N@H+](CC2CCC2)CC[C@H]1N 306987003 574038125 /nfs/dbraw/zinc/03/81/25/574038125.db2.gz PMDYCLAYHVYOFP-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO CCC(CC)Nc1nc[nH+]c(N)c1C 87807264 574038126 /nfs/dbraw/zinc/03/81/26/574038126.db2.gz VOSJAHJCELOCKE-UHFFFAOYSA-N 1 1 194.282 1.968 10 0 ADAEMO CC1(C)C[N@@H+](CC2CCC2)CC[C@H]1N 306987003 574038127 /nfs/dbraw/zinc/03/81/27/574038127.db2.gz PMDYCLAYHVYOFP-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO CCCNc1nc[nH+]c(N)c1CC 87806637 574038142 /nfs/dbraw/zinc/03/81/42/574038142.db2.gz MPXOCHBSJWVRJR-UHFFFAOYSA-N 1 1 180.255 1.443 10 0 ADAEMO CCCNc1nc(N)[nH+]cc1C 87806674 574038150 /nfs/dbraw/zinc/03/81/50/574038150.db2.gz WMDHWSPVDPEJPJ-UHFFFAOYSA-N 1 1 166.228 1.189 10 0 ADAEMO Cc1c(NC(C)(C)C)nc[nH+]c1N 87801746 574038172 /nfs/dbraw/zinc/03/81/72/574038172.db2.gz BMZYGPGQMLKIJC-UHFFFAOYSA-N 1 1 180.255 1.578 10 0 ADAEMO CC[C@H]1CS[C@H](c2ccncn2)[NH2+]1 85347051 574041069 /nfs/dbraw/zinc/04/10/69/574041069.db2.gz GQXSADSGZOODGW-IONNQARKSA-N 1 1 195.291 1.590 10 0 ADAEMO CCN(c1cc[nH+]c(N)n1)C1CC1 87808847 574040250 /nfs/dbraw/zinc/04/02/50/574040250.db2.gz IARQJSJZRFCSMR-UHFFFAOYSA-N 1 1 178.239 1.048 10 0 ADAEMO CCN(c1cc(N)[nH+]cn1)C1CC1 87808795 574040305 /nfs/dbraw/zinc/04/03/05/574040305.db2.gz ZAEZXVDHPUBNQU-UHFFFAOYSA-N 1 1 178.239 1.048 10 0 ADAEMO CCCCNc1nc[nH+]c(N)c1C 87807917 574040377 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CC[C@@H](C)N(C)c1cc[nH+]c(N)n1 87809410 574040493 /nfs/dbraw/zinc/04/04/93/574040493.db2.gz MKHZCHFQOGTCNU-SSDOTTSWSA-N 1 1 180.255 1.294 10 0 ADAEMO CCN(C)c1[nH+]c(C)nc(NC)c1C 87808744 574040509 /nfs/dbraw/zinc/04/05/09/574040509.db2.gz FEULWAHRVLQUFY-UHFFFAOYSA-N 1 1 194.282 1.591 10 0 ADAEMO CCCN(C)c1nc(N)[nH+]cc1C 87809223 574040551 /nfs/dbraw/zinc/04/05/51/574040551.db2.gz QTGVGLOKZYOFHM-UHFFFAOYSA-N 1 1 180.255 1.213 10 0 ADAEMO CC(=[NH2+])NC[C@@H](C)N1CCCC1 112800813 574040586 /nfs/dbraw/zinc/04/05/86/574040586.db2.gz RTHFQIJWYTZGCB-MRVPVSSYSA-N 1 1 169.272 1.057 10 0 ADAEMO CNc1nc(N(C)C2CC2)cc[nH+]1 87808923 574040613 /nfs/dbraw/zinc/04/06/13/574040613.db2.gz FMNXRDAEGCLKMR-UHFFFAOYSA-N 1 1 178.239 1.117 10 0 ADAEMO CCN(c1cc(N)nc(C)[nH+]1)C1CC1 87808797 574040660 /nfs/dbraw/zinc/04/06/60/574040660.db2.gz JRYUBSQUBIENRA-UHFFFAOYSA-N 1 1 192.266 1.356 10 0 ADAEMO CCNc1cc(N(C)CC)[nH+]c(C)n1 87808722 574040667 /nfs/dbraw/zinc/04/06/67/574040667.db2.gz CDQUEJCCFCGTHV-UHFFFAOYSA-N 1 1 194.282 1.673 10 0 ADAEMO CC[C@H](C)N(C)c1cc(N)nc(C)[nH+]1 87809311 574040690 /nfs/dbraw/zinc/04/06/90/574040690.db2.gz ZZTVHYZRJGILMX-ZETCQYMHSA-N 1 1 194.282 1.602 10 0 ADAEMO CCNc1nc(NC)[nH+]cc1C 87807446 574041043 /nfs/dbraw/zinc/04/10/43/574041043.db2.gz GNXVSLANIDTAKU-UHFFFAOYSA-N 1 1 166.228 1.259 10 0 ADAEMO CNc1nc(N)[nH+]c2ccccc12 87807295 574040761 /nfs/dbraw/zinc/04/07/61/574040761.db2.gz LNRSCUMSDFGNIY-UHFFFAOYSA-N 1 1 174.207 1.254 10 0 ADAEMO CCNc1nc(N(C)CC)cc[nH+]1 87808765 574040765 /nfs/dbraw/zinc/04/07/65/574040765.db2.gz NWLPLJBIPTYSOM-UHFFFAOYSA-N 1 1 180.255 1.365 10 0 ADAEMO CCN(C)c1nc(NC)[nH+]cc1C 87808756 574040829 /nfs/dbraw/zinc/04/08/29/574040829.db2.gz HWAGLYYPRFPYIL-UHFFFAOYSA-N 1 1 180.255 1.283 10 0 ADAEMO Cc1c(NCC2CCC2)nc[nH+]c1N 87809842 574040850 /nfs/dbraw/zinc/04/08/50/574040850.db2.gz ZREDJHYPSHTDDV-UHFFFAOYSA-N 1 1 192.266 1.579 10 0 ADAEMO CC[C@@H](C)N(C)c1nc(N)[nH+]cc1C 87809382 574040885 /nfs/dbraw/zinc/04/08/85/574040885.db2.gz NYNZILZUKMUYLB-MRVPVSSYSA-N 1 1 194.282 1.602 10 0 ADAEMO CC[C@@H]1CS[C@H](c2cncn2C)[NH2+]1 85347246 574040914 /nfs/dbraw/zinc/04/09/14/574040914.db2.gz HIBXYZXWUWJIQU-VXNVDRBHSA-N 1 1 197.307 1.534 10 0 ADAEMO CC[C@@H](C)N(C)c1cc(N)[nH+]cn1 87809306 574040982 /nfs/dbraw/zinc/04/09/82/574040982.db2.gz KMUKOXZBGVLPBL-SSDOTTSWSA-N 1 1 180.255 1.294 10 0 ADAEMO Cn1cc([C@H]2[NH2+]C(C)(C)CS2)cn1 85349691 574042626 /nfs/dbraw/zinc/04/26/26/574042626.db2.gz JAOFEMBKKJTROL-QMMMGPOBSA-N 1 1 197.307 1.534 10 0 ADAEMO CC[C@H](C[NH3+])[C@@H](N)c1cccc(F)c1 259294855 574042631 /nfs/dbraw/zinc/04/26/31/574042631.db2.gz HXCOYZPQPVHGKZ-LDYMZIIASA-N 1 1 196.269 1.810 10 0 ADAEMO CC(C)[C@H](C)CNc1cc(N)nc[nH+]1 87831473 574043003 /nfs/dbraw/zinc/04/30/03/574043003.db2.gz PYATYLVHXQSMMF-MRVPVSSYSA-N 1 1 194.282 1.763 10 0 ADAEMO CNc1nc(NC2CCC2)c(C)c[nH+]1 87827125 574043159 /nfs/dbraw/zinc/04/31/59/574043159.db2.gz IXNJYDIJWSACGI-UHFFFAOYSA-N 1 1 192.266 1.791 10 0 ADAEMO Nc1ccc2c(c1)NCC1(CC1)C[NH2+]2 259294425 574042271 /nfs/dbraw/zinc/04/22/71/574042271.db2.gz QJUFIKBLTXRQIM-UHFFFAOYSA-N 1 1 189.262 1.886 10 0 ADAEMO CCCCNc1nc(N)[nH+]cc1C 87807932 574042300 /nfs/dbraw/zinc/04/23/00/574042300.db2.gz IGCYMKSLZSGYEP-UHFFFAOYSA-N 1 1 180.255 1.579 10 0 ADAEMO CCNc1nc(N)[nH+]c2ccccc12 87807420 574042352 /nfs/dbraw/zinc/04/23/52/574042352.db2.gz PYWQOYOOIYVNRP-UHFFFAOYSA-N 1 1 188.234 1.644 10 0 ADAEMO Cc1nc(N)cc(N(C)CC(C)C)[nH+]1 87809250 574042367 /nfs/dbraw/zinc/04/23/67/574042367.db2.gz KSASGYRZRYDTSO-UHFFFAOYSA-N 1 1 194.282 1.459 10 0 ADAEMO CC(=[NH2+])NC[C@H](C)N1CCCC1 112800809 574042393 /nfs/dbraw/zinc/04/23/93/574042393.db2.gz RTHFQIJWYTZGCB-QMMMGPOBSA-N 1 1 169.272 1.057 10 0 ADAEMO CCCN(C)c1[nH+]c(C)nc(N)c1C 87809226 574042401 /nfs/dbraw/zinc/04/24/01/574042401.db2.gz TWLSTXUUULCLMT-UHFFFAOYSA-N 1 1 194.282 1.522 10 0 ADAEMO CCC[C@H](C)Nc1nc(N)[nH+]cc1C 87807730 574042446 /nfs/dbraw/zinc/04/24/46/574042446.db2.gz AXEGIMZYJZWONL-QMMMGPOBSA-N 1 1 194.282 1.968 10 0 ADAEMO CNc1nc(NCC2CC2)c(C)c[nH+]1 87807596 574042458 /nfs/dbraw/zinc/04/24/58/574042458.db2.gz LCYSVQNVCHGALJ-UHFFFAOYSA-N 1 1 192.266 1.649 10 0 ADAEMO CCC[C@@H](C)Nc1cc(N)nc(C)[nH+]1 87807657 574042463 /nfs/dbraw/zinc/04/24/63/574042463.db2.gz RFNQNSSHLSMWIU-SSDOTTSWSA-N 1 1 194.282 1.968 10 0 ADAEMO CN(c1cc(N)[nH+]cn1)C1CCCC1 87809016 574042499 /nfs/dbraw/zinc/04/24/99/574042499.db2.gz GJZTWSHFTGNDOG-UHFFFAOYSA-N 1 1 192.266 1.438 10 0 ADAEMO CCN(c1cc[nH+]c(N)n1)C(C)C 87808985 574042510 /nfs/dbraw/zinc/04/25/10/574042510.db2.gz LGMLPVAWWHUAFD-UHFFFAOYSA-N 1 1 180.255 1.294 10 0 ADAEMO CCCCNc1[nH+]c(C)nc(N)c1C 87807935 574042519 /nfs/dbraw/zinc/04/25/19/574042519.db2.gz BSQXZIAXXSCWOC-UHFFFAOYSA-N 1 1 194.282 1.888 10 0 ADAEMO CC[C@@H](C)N(C)c1cc(N)nc(C)[nH+]1 87809310 574042534 /nfs/dbraw/zinc/04/25/34/574042534.db2.gz ZZTVHYZRJGILMX-SSDOTTSWSA-N 1 1 194.282 1.602 10 0 ADAEMO CCN(C)c1cc(N)[nH+]c(SC)n1 87808737 574042554 /nfs/dbraw/zinc/04/25/54/574042554.db2.gz IDCXPEKVMQANIC-UHFFFAOYSA-N 1 1 198.295 1.237 10 0 ADAEMO CCN(C)c1cc(NC)nc(C)[nH+]1 87808721 574042564 /nfs/dbraw/zinc/04/25/64/574042564.db2.gz UBKDKFQCBSEBAE-UHFFFAOYSA-N 1 1 180.255 1.283 10 0 ADAEMO Cc1c[nH+]c(N)nc1NCC1CCC1 87809866 574042575 /nfs/dbraw/zinc/04/25/75/574042575.db2.gz AVLVYBPOQGXUIT-UHFFFAOYSA-N 1 1 192.266 1.579 10 0 ADAEMO Cc1nc(N)cc(NCC2CCC2)[nH+]1 87809794 574042584 /nfs/dbraw/zinc/04/25/84/574042584.db2.gz FLZMBEOURONVPZ-UHFFFAOYSA-N 1 1 192.266 1.579 10 0 ADAEMO CC(C)CC[N@@H+](C)Cc1cc(N)n[nH]1 259295383 574042659 /nfs/dbraw/zinc/04/26/59/574042659.db2.gz SYJDDYXJWVJOKX-UHFFFAOYSA-N 1 1 196.298 1.470 10 0 ADAEMO CC[C@@H](C[NH3+])[C@@H](N)c1cccc(F)c1 259294832 574042716 /nfs/dbraw/zinc/04/27/16/574042716.db2.gz HXCOYZPQPVHGKZ-GZMMTYOYSA-N 1 1 196.269 1.810 10 0 ADAEMO CC(C)(C)CNc1cc(N)[nH+]c(N)n1 87820654 574042829 /nfs/dbraw/zinc/04/28/29/574042829.db2.gz NUYTXUHFZYPMQX-UHFFFAOYSA-N 1 1 195.270 1.099 10 0 ADAEMO CCCN1C[C@H]([NH2+]C)CC1(C)C 259297089 574042852 /nfs/dbraw/zinc/04/28/52/574042852.db2.gz HIWZGZLDBCBNLW-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO CNc1cc(NC2CCC2)[nH+]c(C)n1 87827067 574042871 /nfs/dbraw/zinc/04/28/71/574042871.db2.gz RDLGJOZSAJKDKM-UHFFFAOYSA-N 1 1 192.266 1.791 10 0 ADAEMO Cc1ncc(CNCC[C@@H](C)[NH3+])s1 49538911 574042895 /nfs/dbraw/zinc/04/28/95/574042895.db2.gz AGQBWDXXOBNWTQ-SSDOTTSWSA-N 1 1 199.323 1.278 10 0 ADAEMO C[C@H]1C[C@H]1CN(C)c1cc[nH+]c(N)n1 87830455 574042989 /nfs/dbraw/zinc/04/29/89/574042989.db2.gz OWTPZXCNAHGOHX-YUMQZZPRSA-N 1 1 192.266 1.151 10 0 ADAEMO CNc1cc(N[C@H]2C[C@@H]2C)[nH+]c(C)n1 87827326 574042993 /nfs/dbraw/zinc/04/29/93/574042993.db2.gz NNUYXIRHJVTNCY-XPUUQOCRSA-N 1 1 192.266 1.647 10 0 ADAEMO CC(C)[C@H](C)CNc1cc(N)[nH+]cn1 87831473 574043001 /nfs/dbraw/zinc/04/30/01/574043001.db2.gz PYATYLVHXQSMMF-MRVPVSSYSA-N 1 1 194.282 1.763 10 0 ADAEMO C[C@H](Nc1cc(N)[nH+]cn1)C1CC1 87811799 574043012 /nfs/dbraw/zinc/04/30/12/574043012.db2.gz GRRYTMGYBSIUSB-LURJTMIESA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@H](Nc1cc(N)nc[nH+]1)C1CC1 87811799 574043014 /nfs/dbraw/zinc/04/30/14/574043014.db2.gz GRRYTMGYBSIUSB-LURJTMIESA-N 1 1 178.239 1.269 10 0 ADAEMO Cn1cncc1[C@@H]1[NH2+]C(C)(C)CS1 85349696 574043201 /nfs/dbraw/zinc/04/32/01/574043201.db2.gz ZWGUAHMKWFLNSQ-MRVPVSSYSA-N 1 1 197.307 1.534 10 0 ADAEMO CNc1cc(N[C@@H]2C[C@@H]2C)nc[nH+]1 87827354 574043030 /nfs/dbraw/zinc/04/30/30/574043030.db2.gz QCBLXAYKDZMOCQ-NKWVEPMBSA-N 1 1 178.239 1.339 10 0 ADAEMO Cn1cncc1[C@H]1[NH2+]C(C)(C)CS1 85349697 574043036 /nfs/dbraw/zinc/04/30/36/574043036.db2.gz ZWGUAHMKWFLNSQ-QMMMGPOBSA-N 1 1 197.307 1.534 10 0 ADAEMO Cc1c[nH+]c(N)nc1N[C@@H]1CC1(C)C 87825804 574043037 /nfs/dbraw/zinc/04/30/37/574043037.db2.gz MVAKLNHJKXAEAT-SSDOTTSWSA-N 1 1 192.266 1.578 10 0 ADAEMO CNc1nc(N[C@@H]2C[C@@H]2C)c(C)c[nH+]1 87827557 574043048 /nfs/dbraw/zinc/04/30/48/574043048.db2.gz DPBGEOPOFWCHCO-POYBYMJQSA-N 1 1 192.266 1.647 10 0 ADAEMO Cc1c[nH+]c(N)nc1NCC(C)(C)C 87820668 574043073 /nfs/dbraw/zinc/04/30/73/574043073.db2.gz AZTUNUDWMRRGIW-UHFFFAOYSA-N 1 1 194.282 1.825 10 0 ADAEMO Cc1c[nH+]c(N)nc1N[C@@H]1C[C@H]1C 87827599 574043122 /nfs/dbraw/zinc/04/31/22/574043122.db2.gz HTWSKIWQOBRNBC-IYSWYEEDSA-N 1 1 178.239 1.188 10 0 ADAEMO C[N@H+]1CC[C@H](c2ccc(Cl)nn2)C1 259300338 574046896 /nfs/dbraw/zinc/04/68/96/574046896.db2.gz BOYCXTVDOLVQLY-ZETCQYMHSA-N 1 1 197.669 1.549 10 0 ADAEMO CNc1cccc(-n2cc[nH+]c2C)n1 87839430 574045233 /nfs/dbraw/zinc/04/52/33/574045233.db2.gz XUVQARPNVDHZGN-UHFFFAOYSA-N 1 1 188.234 1.617 10 0 ADAEMO CCC(C)(C)Oc1cc(N)nc(N)[nH+]1 87840386 574045300 /nfs/dbraw/zinc/04/53/00/574045300.db2.gz CULLRGOZDYLQON-UHFFFAOYSA-N 1 1 196.254 1.208 10 0 ADAEMO C[NH2+][C@H](CNC1CC1)c1cccs1 259298813 574045362 /nfs/dbraw/zinc/04/53/62/574045362.db2.gz IZBBOUJTNXBJKH-SECBINFHSA-N 1 1 196.319 1.761 10 0 ADAEMO CNc1nc(NCCC2CC2)cc[nH+]1 87837080 574045397 /nfs/dbraw/zinc/04/53/97/574045397.db2.gz HQKFFKYQBMNSFK-UHFFFAOYSA-N 1 1 192.266 1.730 10 0 ADAEMO CNc1cc(OCC(C)C)[nH+]c(N)n1 87841230 574045443 /nfs/dbraw/zinc/04/54/43/574045443.db2.gz UTOZJHUVCSYPHN-UHFFFAOYSA-N 1 1 196.254 1.135 10 0 ADAEMO CCc1c[nH+]c(N)c(OC)c1 113101681 574045490 /nfs/dbraw/zinc/04/54/90/574045490.db2.gz MUOVGWFULLKMES-UHFFFAOYSA-N 1 1 152.197 1.235 10 0 ADAEMO CC1(C)CCN(c2cc(N)[nH+]cn2)C1 87838726 574045551 /nfs/dbraw/zinc/04/55/51/574045551.db2.gz QWKLRCCCLFTRIR-UHFFFAOYSA-N 1 1 192.266 1.295 10 0 ADAEMO C[C@@]([NH3+])(CN)c1cccc(Cl)c1 113059511 574045569 /nfs/dbraw/zinc/04/55/69/574045569.db2.gz AOEDEKLRHCWFDN-SECBINFHSA-N 1 1 184.670 1.473 10 0 ADAEMO Cc1c(NCCC2CC2)nc[nH+]c1N 87837027 574045594 /nfs/dbraw/zinc/04/55/94/574045594.db2.gz VYIZVLHNEPTTKB-UHFFFAOYSA-N 1 1 192.266 1.579 10 0 ADAEMO CNc1nc(-n2cccn2)cc(C)[nH+]1 87839224 574045618 /nfs/dbraw/zinc/04/56/18/574045618.db2.gz WWYNBPQYMSIWBN-UHFFFAOYSA-N 1 1 189.222 1.012 10 0 ADAEMO CNc1cncc(-n2cc[nH+]c2C)n1 87839444 574045684 /nfs/dbraw/zinc/04/56/84/574045684.db2.gz DFAMTTJUYKSXAK-UHFFFAOYSA-N 1 1 189.222 1.012 10 0 ADAEMO CNCC[N@H+](C)[C@H]1CCC[C@@H]1C1CC1 393613875 574045799 /nfs/dbraw/zinc/04/57/99/574045799.db2.gz UBOFNJZKBDGHNJ-NEPJUHHUSA-N 1 1 196.338 1.716 10 0 ADAEMO CNCC[N@@H+](C)[C@H]1CCC[C@@H]1C1CC1 393613875 574045800 /nfs/dbraw/zinc/04/58/00/574045800.db2.gz UBOFNJZKBDGHNJ-NEPJUHHUSA-N 1 1 196.338 1.716 10 0 ADAEMO Cc1nc(N)cc(NCCC2CC2)[nH+]1 87836982 574045879 /nfs/dbraw/zinc/04/58/79/574045879.db2.gz XXYLNCUZUNEMSB-UHFFFAOYSA-N 1 1 192.266 1.579 10 0 ADAEMO CC(C)[C@H](C)Oc1cc(N)nc(N)[nH+]1 87849217 574046800 /nfs/dbraw/zinc/04/68/00/574046800.db2.gz QDUZESXJRYLRRO-LURJTMIESA-N 1 1 196.254 1.064 10 0 ADAEMO C[N@H+]1CC[C@@](C)(F)C1 113100293 574045890 /nfs/dbraw/zinc/04/58/90/574045890.db2.gz GFHVVFMDSTVFNV-ZCFIWIBFSA-N 1 1 117.167 1.050 10 0 ADAEMO C[NH2+][C@@H](CNC1CC1)c1cccs1 259298815 574045896 /nfs/dbraw/zinc/04/58/96/574045896.db2.gz IZBBOUJTNXBJKH-VIFPVBQESA-N 1 1 196.319 1.761 10 0 ADAEMO CNCC[N@H+](C)[C@@H]1CCC[C@H]1C1CC1 393613877 574045903 /nfs/dbraw/zinc/04/59/03/574045903.db2.gz UBOFNJZKBDGHNJ-NWDGAFQWSA-N 1 1 196.338 1.716 10 0 ADAEMO CNCC[N@@H+](C)[C@@H]1CCC[C@H]1C1CC1 393613877 574045905 /nfs/dbraw/zinc/04/59/05/574045905.db2.gz UBOFNJZKBDGHNJ-NWDGAFQWSA-N 1 1 196.338 1.716 10 0 ADAEMO CN[C@@H](C[C@@H](C)[NH3+])c1cccc(F)c1 259299853 574045948 /nfs/dbraw/zinc/04/59/48/574045948.db2.gz HZUOITQIQUGRPB-KCJUWKMLSA-N 1 1 196.269 1.824 10 0 ADAEMO C[C@]([NH3+])(CN)c1cccc(Cl)c1 113059514 574045956 /nfs/dbraw/zinc/04/59/56/574045956.db2.gz AOEDEKLRHCWFDN-VIFPVBQESA-N 1 1 184.670 1.473 10 0 ADAEMO CNc1cc(-n2cccn2)nc(C)[nH+]1 87839198 574045975 /nfs/dbraw/zinc/04/59/75/574045975.db2.gz XVVGOOIETKLAOV-UHFFFAOYSA-N 1 1 189.222 1.012 10 0 ADAEMO CNC([NH2+]C)c1ccc2c(c1)CCO2 259298823 574046042 /nfs/dbraw/zinc/04/60/42/574046042.db2.gz IZGCNFODDZZGGI-UHFFFAOYSA-N 1 1 192.262 1.059 10 0 ADAEMO CNc1cc(-n2cc[nH+]c2C)ncn1 87839455 574046046 /nfs/dbraw/zinc/04/60/46/574046046.db2.gz TULXDOOCEFULCJ-UHFFFAOYSA-N 1 1 189.222 1.012 10 0 ADAEMO CN[C@@H](C[C@H](C)[NH3+])c1cccc(F)c1 259299859 574046156 /nfs/dbraw/zinc/04/61/56/574046156.db2.gz HZUOITQIQUGRPB-KWQFWETISA-N 1 1 196.269 1.824 10 0 ADAEMO CNc1nc(-n2ccnc2)cc(C)[nH+]1 87839364 574046194 /nfs/dbraw/zinc/04/61/94/574046194.db2.gz MRAFKYSAZSNRIR-UHFFFAOYSA-N 1 1 189.222 1.012 10 0 ADAEMO Cc1c[nH+]c(N)nc1NCCC1CC1 87837056 574046283 /nfs/dbraw/zinc/04/62/83/574046283.db2.gz DZSNWXGKKDIKAX-UHFFFAOYSA-N 1 1 192.266 1.579 10 0 ADAEMO CC1(C)CCN(c2cc[nH+]c(N)n2)C1 87838754 574046362 /nfs/dbraw/zinc/04/63/62/574046362.db2.gz VHWMRHFHPOTBFU-UHFFFAOYSA-N 1 1 192.266 1.295 10 0 ADAEMO CN[C@H](C[C@@H](C)[NH3+])c1cccc(F)c1 259299865 574046412 /nfs/dbraw/zinc/04/64/12/574046412.db2.gz HZUOITQIQUGRPB-LDYMZIIASA-N 1 1 196.269 1.824 10 0 ADAEMO CNc1cc(-n2ccnc2)nc(C)[nH+]1 87839338 574046515 /nfs/dbraw/zinc/04/65/15/574046515.db2.gz CIIDJHYYODBXLR-UHFFFAOYSA-N 1 1 189.222 1.012 10 0 ADAEMO CC(C)[C@@H](C)Oc1cc(N)nc(N)[nH+]1 87849216 574046653 /nfs/dbraw/zinc/04/66/53/574046653.db2.gz QDUZESXJRYLRRO-ZCFIWIBFSA-N 1 1 196.254 1.064 10 0 ADAEMO CNc1cc(SC(C)C)[nH+]c(N)n1 87850909 574047037 /nfs/dbraw/zinc/04/70/37/574047037.db2.gz KFSUSOHFHOFEHQ-UHFFFAOYSA-N 1 1 198.295 1.601 10 0 ADAEMO CCCSc1cc(NC)nc(N)[nH+]1 87850185 574047153 /nfs/dbraw/zinc/04/71/53/574047153.db2.gz AYINJOQLGMOVEM-UHFFFAOYSA-N 1 1 198.295 1.603 10 0 ADAEMO C1C[C@@H]([N@@H+]2CCSC2)CS1 687828874 575189065 /nfs/dbraw/zinc/18/90/65/575189065.db2.gz MMSYFLVACYWEIW-SSDOTTSWSA-N 1 1 175.322 1.498 10 0 ADAEMO C1C[C@@H]([N@H+]2CCSC2)CS1 687828874 575189067 /nfs/dbraw/zinc/18/90/67/575189067.db2.gz MMSYFLVACYWEIW-SSDOTTSWSA-N 1 1 175.322 1.498 10 0 ADAEMO C1C[C@H]([N@@H+]2CCSC2)CS1 687828875 575189128 /nfs/dbraw/zinc/18/91/28/575189128.db2.gz MMSYFLVACYWEIW-ZETCQYMHSA-N 1 1 175.322 1.498 10 0 ADAEMO C1C[C@H]([N@H+]2CCSC2)CS1 687828875 575189129 /nfs/dbraw/zinc/18/91/29/575189129.db2.gz MMSYFLVACYWEIW-ZETCQYMHSA-N 1 1 175.322 1.498 10 0 ADAEMO C1CSC[N@H+]([C@H]2CCSC2)C1 687828844 575189179 /nfs/dbraw/zinc/18/91/79/575189179.db2.gz CLZKDQAISXRTGA-QMMMGPOBSA-N 1 1 189.349 1.888 10 0 ADAEMO C1CSC[N@@H+]([C@H]2CCSC2)C1 687828844 575189181 /nfs/dbraw/zinc/18/91/81/575189181.db2.gz CLZKDQAISXRTGA-QMMMGPOBSA-N 1 1 189.349 1.888 10 0 ADAEMO C1CSC[N@H+]([C@@H]2CCSC2)C1 687828843 575189296 /nfs/dbraw/zinc/18/92/96/575189296.db2.gz CLZKDQAISXRTGA-MRVPVSSYSA-N 1 1 189.349 1.888 10 0 ADAEMO C1CSC[N@@H+]([C@@H]2CCSC2)C1 687828843 575189297 /nfs/dbraw/zinc/18/92/97/575189297.db2.gz CLZKDQAISXRTGA-MRVPVSSYSA-N 1 1 189.349 1.888 10 0 ADAEMO S=c1[nH]ccn1Cc1[nH]cc[nH+]1 12186 575189311 /nfs/dbraw/zinc/18/93/11/575189311.db2.gz AJZPTUATETWDSM-UHFFFAOYSA-N 1 1 180.236 1.317 10 0 ADAEMO CN(C)CC[NH+]1C=CC(C)(C)C=C1 2558 575189563 /nfs/dbraw/zinc/18/95/63/575189563.db2.gz GCMTVSJHJZTWNA-UHFFFAOYSA-N 1 1 180.295 1.917 10 0 ADAEMO CCCCC[N@H+]1CCC[C@H]1CN 19843273 486713545 /nfs/dbraw/zinc/71/35/45/486713545.db2.gz ZZKVXHWYCZZSLZ-JTQLQIEISA-N 1 1 170.300 1.600 10 0 ADAEMO CC(C)C[C@@H]([NH3+])CN(C)C(C)C 20073221 486714083 /nfs/dbraw/zinc/71/40/83/486714083.db2.gz LKXTZQXHAZRHRM-SNVBAGLBSA-N 1 1 172.316 1.700 10 0 ADAEMO CC(C)C[C@@H](N)C[N@H+](C)C(C)C 20073221 486714087 /nfs/dbraw/zinc/71/40/87/486714087.db2.gz LKXTZQXHAZRHRM-SNVBAGLBSA-N 1 1 172.316 1.700 10 0 ADAEMO CC(C)C[C@@H](N)C[N@@H+](C)C(C)C 20073221 486714090 /nfs/dbraw/zinc/71/40/90/486714090.db2.gz LKXTZQXHAZRHRM-SNVBAGLBSA-N 1 1 172.316 1.700 10 0 ADAEMO CC(C)C[C@H]([NH3+])CN(C)C(C)C 20073223 486714661 /nfs/dbraw/zinc/71/46/61/486714661.db2.gz LKXTZQXHAZRHRM-JTQLQIEISA-N 1 1 172.316 1.700 10 0 ADAEMO CC(C)C[C@H](N)C[N@H+](C)C(C)C 20073223 486714667 /nfs/dbraw/zinc/71/46/67/486714667.db2.gz LKXTZQXHAZRHRM-JTQLQIEISA-N 1 1 172.316 1.700 10 0 ADAEMO CC(C)C[C@H](N)C[N@@H+](C)C(C)C 20073223 486714673 /nfs/dbraw/zinc/71/46/73/486714673.db2.gz LKXTZQXHAZRHRM-JTQLQIEISA-N 1 1 172.316 1.700 10 0 ADAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CCCO)C1 32180019 486715341 /nfs/dbraw/zinc/71/53/41/486715341.db2.gz PDCROMYEHJTXHF-WDEREUQCSA-N 1 1 185.311 1.879 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)CCCCO 35649830 486716174 /nfs/dbraw/zinc/71/61/74/486716174.db2.gz CWCCKUJXOPIYJM-JTQLQIEISA-N 1 1 173.300 1.879 10 0 ADAEMO CC[C@@H](C)[N@@H+](CC)CCCCO 35649829 486716460 /nfs/dbraw/zinc/71/64/60/486716460.db2.gz CWCCKUJXOPIYJM-SNVBAGLBSA-N 1 1 173.300 1.879 10 0 ADAEMO CC[C@@H](C)[N@@H+]1CC2CC1(CN)C2 36419920 486716880 /nfs/dbraw/zinc/71/68/80/486716880.db2.gz GLBFQYUSYDUBJT-XNWIYYODSA-N 1 1 168.284 1.208 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC2CC1(CN)C2 36419920 486716884 /nfs/dbraw/zinc/71/68/84/486716884.db2.gz GLBFQYUSYDUBJT-XNWIYYODSA-N 1 1 168.284 1.208 10 0 ADAEMO CC[C@H](C)[N@@H+]1CC2CC1(CN)C2 36419921 486717037 /nfs/dbraw/zinc/71/70/37/486717037.db2.gz GLBFQYUSYDUBJT-IDKOKCKLSA-N 1 1 168.284 1.208 10 0 ADAEMO CC[C@H](C)[N@H+]1CC2CC1(CN)C2 36419921 486717039 /nfs/dbraw/zinc/71/70/39/486717039.db2.gz GLBFQYUSYDUBJT-IDKOKCKLSA-N 1 1 168.284 1.208 10 0 ADAEMO CC(C)C[C@@H](N)C[N@@H+](C)CC(C)C 37108761 486717713 /nfs/dbraw/zinc/71/77/13/486717713.db2.gz CEMCVVUCFBXLCM-LLVKDONJSA-N 1 1 186.343 1.948 10 0 ADAEMO CC(C)C[C@@H]([NH3+])CN(C)CC(C)C 37108761 486717715 /nfs/dbraw/zinc/71/77/15/486717715.db2.gz CEMCVVUCFBXLCM-LLVKDONJSA-N 1 1 186.343 1.948 10 0 ADAEMO CC(C)C[C@H](N)C[N@@H+](C)CC(C)C 37108760 486717977 /nfs/dbraw/zinc/71/79/77/486717977.db2.gz CEMCVVUCFBXLCM-NSHDSACASA-N 1 1 186.343 1.948 10 0 ADAEMO CC(C)C[C@H]([NH3+])CN(C)CC(C)C 37108760 486717983 /nfs/dbraw/zinc/71/79/83/486717983.db2.gz CEMCVVUCFBXLCM-NSHDSACASA-N 1 1 186.343 1.948 10 0 ADAEMO CC(C)C[C@@H](N)C[N@@H+]1CC[C@H](C)C1 40725261 486724181 /nfs/dbraw/zinc/72/41/81/486724181.db2.gz BNROVJJIDMISQM-WDEREUQCSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)C[C@@H](N)C[N@H+]1CC[C@H](C)C1 40725261 486724183 /nfs/dbraw/zinc/72/41/83/486724183.db2.gz BNROVJJIDMISQM-WDEREUQCSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)C[C@@H]([NH3+])CN1CC[C@H](C)C1 40725261 486724186 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CC[C@@H]1CC[N@H+]1Cc1cncn1CC 669569546 486725394 /nfs/dbraw/zinc/72/53/94/486725394.db2.gz OKRMVCZHCMPTGH-SNVBAGLBSA-N 1 1 193.294 1.887 10 0 ADAEMO CC[C@H]1CC[N@H+]1Cc1cncn1CC 669569545 486725862 /nfs/dbraw/zinc/72/58/62/486725862.db2.gz OKRMVCZHCMPTGH-JTQLQIEISA-N 1 1 193.294 1.887 10 0 ADAEMO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@H](C)[C@@H]1C 669575985 486726248 /nfs/dbraw/zinc/72/62/48/486726248.db2.gz KMECPERJVFNSFA-OPRDCNLKSA-N 1 1 193.294 1.886 10 0 ADAEMO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@@H](C)[C@H]1C 669575986 486726614 /nfs/dbraw/zinc/72/66/14/486726614.db2.gz KMECPERJVFNSFA-UTLUCORTSA-N 1 1 193.294 1.886 10 0 ADAEMO C[NH+](C)C1(CNCC2(F)CC2)CC1 669575114 486726709 /nfs/dbraw/zinc/72/67/09/486726709.db2.gz AJIIJKWZWYBAAU-UHFFFAOYSA-N 1 1 186.274 1.172 10 0 ADAEMO C[C@@H](O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 43426795 486726847 /nfs/dbraw/zinc/72/68/47/486726847.db2.gz IWABWXGRQIIYSW-VWYCJHECSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@H](C)[C@H]1C 669575984 486726871 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DLCNNZUDJSMOMP-SNVBAGLBSA-N 1 1 184.327 1.750 10 0 ADAEMO CC(C)[C@@H](N)C[NH2+]CC1(C)CCC1 232707911 487084869 /nfs/dbraw/zinc/08/48/69/487084869.db2.gz DLCNNZUDJSMOMP-JTQLQIEISA-N 1 1 184.327 1.750 10 0 ADAEMO CC1(C[N@H+]2CC[C@H](C[NH3+])C2)CCC1 232827808 487085184 /nfs/dbraw/zinc/08/51/84/487085184.db2.gz OOIUMEYEUJOAQR-SNVBAGLBSA-N 1 1 182.311 1.457 10 0 ADAEMO CC1(C[N@H+]2CC[C@@H](C[NH3+])C2)CCC1 232827178 487085205 /nfs/dbraw/zinc/08/52/05/487085205.db2.gz OOIUMEYEUJOAQR-JTQLQIEISA-N 1 1 182.311 1.457 10 0 ADAEMO CCC(CC)C[N@@H+]1C[C@@H](C)[C@@H](N)C1 232867169 487085254 /nfs/dbraw/zinc/08/52/54/487085254.db2.gz ZACLFJIWNVQKNF-KOLCDFICSA-N 1 1 184.327 1.702 10 0 ADAEMO CCC(CC)C[N@H+]1C[C@@H](C)[C@@H](N)C1 232867169 487085258 /nfs/dbraw/zinc/08/52/58/487085258.db2.gz ZACLFJIWNVQKNF-KOLCDFICSA-N 1 1 184.327 1.702 10 0 ADAEMO CC1(C[NH2+]CC2(N)CCC2)CCC1 232857538 487085717 /nfs/dbraw/zinc/08/57/17/487085717.db2.gz YWPOLEQTZITDQQ-UHFFFAOYSA-N 1 1 182.311 1.648 10 0 ADAEMO CC(C)C(C)(C)CN[C@H]1CC[NH2+]C1 232789666 487085827 /nfs/dbraw/zinc/08/58/27/487085827.db2.gz IVGPUEAYGHOMLZ-JTQLQIEISA-N 1 1 184.327 1.620 10 0 ADAEMO CCC(CC)C[N@@H+]1C[C@H](C)[C@@H](N)C1 232867710 487086018 /nfs/dbraw/zinc/08/60/18/487086018.db2.gz ZACLFJIWNVQKNF-ONGXEEELSA-N 1 1 184.327 1.702 10 0 ADAEMO CCC(CC)C[N@H+]1C[C@H](C)[C@@H](N)C1 232867710 487086021 /nfs/dbraw/zinc/08/60/21/487086021.db2.gz ZACLFJIWNVQKNF-ONGXEEELSA-N 1 1 184.327 1.702 10 0 ADAEMO CC1(CNC[C@H]2CCC[NH2+]2)CCC1 232909401 487086679 /nfs/dbraw/zinc/08/66/79/487086679.db2.gz ALTIABKHCURCML-SNVBAGLBSA-N 1 1 182.311 1.518 10 0 ADAEMO CC1(CNC[C@@H]2CCC[NH2+]2)CCC1 232891023 487086959 /nfs/dbraw/zinc/08/69/59/487086959.db2.gz ALTIABKHCURCML-JTQLQIEISA-N 1 1 182.311 1.518 10 0 ADAEMO CCC1(CN[C@H]2CC[NH2+]C2)CCCC1 232887221 487087062 /nfs/dbraw/zinc/08/70/62/487087062.db2.gz OHZDYBATJHSKMR-NSHDSACASA-N 1 1 196.338 1.908 10 0 ADAEMO CCCCC[N@@H+]1C[C@H](C)[C@@H](N)C1 232991544 487087708 /nfs/dbraw/zinc/08/77/08/487087708.db2.gz NLRZWCISWWCSAH-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCC[N@H+]1C[C@H](C)[C@@H](N)C1 232991544 487087710 /nfs/dbraw/zinc/08/77/10/487087710.db2.gz NLRZWCISWWCSAH-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCCN1C[C@H](C)[C@@H]([NH3+])C1 232991544 487087711 /nfs/dbraw/zinc/08/77/11/487087711.db2.gz NLRZWCISWWCSAH-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO COC1CC[NH+](Cc2cocn2)CC1 683350578 487087888 /nfs/dbraw/zinc/08/78/88/487087888.db2.gz LTQYVUSFOAYNGF-UHFFFAOYSA-N 1 1 196.250 1.285 10 0 ADAEMO CCCC[N@H+](CCO)Cc1cocn1 683350796 487088211 /nfs/dbraw/zinc/08/82/11/487088211.db2.gz NSHLMBNRISIZCP-UHFFFAOYSA-N 1 1 198.266 1.269 10 0 ADAEMO CCCC[N@@H+](CCO)Cc1cocn1 683350796 487088214 /nfs/dbraw/zinc/08/82/14/487088214.db2.gz NSHLMBNRISIZCP-UHFFFAOYSA-N 1 1 198.266 1.269 10 0 ADAEMO CCCCC[N@@H+]1C[C@@H](C)[C@@H](N)C1 232991081 487088366 /nfs/dbraw/zinc/08/83/66/487088366.db2.gz NLRZWCISWWCSAH-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCC[N@H+]1C[C@@H](C)[C@@H](N)C1 232991081 487088372 /nfs/dbraw/zinc/08/83/72/487088372.db2.gz NLRZWCISWWCSAH-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCCN1C[C@@H](C)[C@@H]([NH3+])C1 232991081 487088376 /nfs/dbraw/zinc/08/83/76/487088376.db2.gz NLRZWCISWWCSAH-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO COC[C@@H]1CC[N@H+](Cc2cocn2)C1 683352090 487088739 /nfs/dbraw/zinc/08/87/39/487088739.db2.gz XBIZMUYAQHACME-SECBINFHSA-N 1 1 196.250 1.143 10 0 ADAEMO COC[C@@H]1CC[N@@H+](Cc2cocn2)C1 683352090 487088741 /nfs/dbraw/zinc/08/87/41/487088741.db2.gz XBIZMUYAQHACME-SECBINFHSA-N 1 1 196.250 1.143 10 0 ADAEMO CC(C)[N@H+](Cc1cocn1)C[C@@H](C)O 683352469 487088861 /nfs/dbraw/zinc/08/88/61/487088861.db2.gz DSBSJQLVERCEBZ-SECBINFHSA-N 1 1 198.266 1.266 10 0 ADAEMO C[C@@]1(O)CCC[N@H+](Cc2cocn2)C1 683351512 487088919 /nfs/dbraw/zinc/08/89/19/487088919.db2.gz HCABSMLBUXKCOS-SNVBAGLBSA-N 1 1 196.250 1.021 10 0 ADAEMO C[C@@]1(O)CCC[N@@H+](Cc2cocn2)C1 683351512 487088925 /nfs/dbraw/zinc/08/89/25/487088925.db2.gz HCABSMLBUXKCOS-SNVBAGLBSA-N 1 1 196.250 1.021 10 0 ADAEMO c1nc(C[N@H+]2CC[C@H](C3CC3)C2)co1 683352045 487088949 /nfs/dbraw/zinc/08/89/49/487088949.db2.gz WBUYPEVPYAJRSJ-JTQLQIEISA-N 1 1 192.262 1.907 10 0 ADAEMO CC1(C)[C@H]2C[N@@H+](Cc3cocn3)C[C@H]21 683352003 487088843 /nfs/dbraw/zinc/08/88/43/487088843.db2.gz UWWNXIXAIGDGAL-AOOOYVTPSA-N 1 1 192.262 1.762 10 0 ADAEMO CC(C)[N@@H+](Cc1cocn1)C[C@@H](C)O 683352469 487088857 /nfs/dbraw/zinc/08/88/57/487088857.db2.gz DSBSJQLVERCEBZ-SECBINFHSA-N 1 1 198.266 1.266 10 0 ADAEMO CCC[C@@H](C)[NH2+][C@@H]1CCCCNC1 233278987 487089101 /nfs/dbraw/zinc/08/91/01/487089101.db2.gz AAUUAFQIGIQXGM-GHMZBOCLSA-N 1 1 184.327 1.907 10 0 ADAEMO CCCNCC[NH2+]CC1(C)CCC1 233090356 487089275 /nfs/dbraw/zinc/08/92/75/487089275.db2.gz HOWIODZQSFRRCG-UHFFFAOYSA-N 1 1 184.327 1.766 10 0 ADAEMO c1nc(C[N@H+]2CC[C@@H](C3CC3)C2)co1 683352046 487089277 /nfs/dbraw/zinc/08/92/77/487089277.db2.gz WBUYPEVPYAJRSJ-SNVBAGLBSA-N 1 1 192.262 1.907 10 0 ADAEMO CCC[NH2+]CCNCC1(C)CCC1 233090356 487089282 /nfs/dbraw/zinc/08/92/82/487089282.db2.gz HOWIODZQSFRRCG-UHFFFAOYSA-N 1 1 184.327 1.766 10 0 ADAEMO CCC1(CN[C@@H]2CC[NH2+]C2)CCCC1 233089705 487089349 /nfs/dbraw/zinc/08/93/49/487089349.db2.gz OHZDYBATJHSKMR-LLVKDONJSA-N 1 1 196.338 1.908 10 0 ADAEMO CCC[C@@H](C)[NH2+][C@H]1CCCCNC1 233279534 487089520 /nfs/dbraw/zinc/08/95/20/487089520.db2.gz AAUUAFQIGIQXGM-MNOVXSKESA-N 1 1 184.327 1.907 10 0 ADAEMO COC[C@H]1CC[N@H+](Cc2cocn2)C1 683352092 487089694 /nfs/dbraw/zinc/08/96/94/487089694.db2.gz XBIZMUYAQHACME-VIFPVBQESA-N 1 1 196.250 1.143 10 0 ADAEMO COC[C@H]1CC[N@@H+](Cc2cocn2)C1 683352092 487089698 /nfs/dbraw/zinc/08/96/98/487089698.db2.gz XBIZMUYAQHACME-VIFPVBQESA-N 1 1 196.250 1.143 10 0 ADAEMO CC(C)[N@@H+](Cc1cocn1)C[C@H](C)O 683352470 487089710 /nfs/dbraw/zinc/08/97/10/487089710.db2.gz DSBSJQLVERCEBZ-VIFPVBQESA-N 1 1 198.266 1.266 10 0 ADAEMO CC(C)[N@H+](Cc1cocn1)C[C@H](C)O 683352470 487089715 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CCNC(=O)CC[C@@H]1CCCC[N@H+]1C 683373789 487090362 /nfs/dbraw/zinc/09/03/62/487090362.db2.gz IUBAUYMKLROQPW-JTQLQIEISA-N 1 1 198.310 1.387 10 0 ADAEMO OCC[N@@H+](Cc1cocn1)C1CCC1 683356517 487090383 /nfs/dbraw/zinc/09/03/83/487090383.db2.gz WDFWIZLEWXIWNP-UHFFFAOYSA-N 1 1 196.250 1.021 10 0 ADAEMO CCC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](N)C1 233326417 487090622 /nfs/dbraw/zinc/09/06/22/487090622.db2.gz CWUSSRAGFGDHQF-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](N)C1 233326417 487090625 /nfs/dbraw/zinc/09/06/25/487090625.db2.gz CWUSSRAGFGDHQF-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO OCC[C@@H]1CCC[N@@H+]1Cc1cocn1 683354835 487090654 /nfs/dbraw/zinc/09/06/54/487090654.db2.gz HFPXJEBIIWYYQV-JTQLQIEISA-N 1 1 196.250 1.021 10 0 ADAEMO OCC[C@@H]1CCC[N@H+]1Cc1cocn1 683354835 487090658 /nfs/dbraw/zinc/09/06/58/487090658.db2.gz HFPXJEBIIWYYQV-JTQLQIEISA-N 1 1 196.250 1.021 10 0 ADAEMO CC[C@@]1(O)CC[N@H+](Cc2cocn2)C1 683354994 487090674 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299997569 487140229 /nfs/dbraw/zinc/14/02/29/487140229.db2.gz VCWGXIHOOMAVIS-JGPRNRPPSA-N 1 1 182.311 1.313 10 0 ADAEMO C[C@H]([NH2+][C@H]1CCO[C@H]1C)C(F)F 299896001 487140345 /nfs/dbraw/zinc/14/03/45/487140345.db2.gz LBWQLVWNNVKTLX-ACZMJKKPSA-N 1 1 179.210 1.407 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300047158 487141533 /nfs/dbraw/zinc/14/15/33/487141533.db2.gz CWUSSRAGFGDHQF-GARJFASQSA-N 1 1 184.327 1.702 10 0 ADAEMO CCC[C@H](C)C[N@@H+]1C[C@H](C)[C@H](N)C1 300047158 487141537 /nfs/dbraw/zinc/14/15/37/487141537.db2.gz CWUSSRAGFGDHQF-GARJFASQSA-N 1 1 184.327 1.702 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@H](C)[C@H](N)C1 300047158 487141541 /nfs/dbraw/zinc/14/15/41/487141541.db2.gz CWUSSRAGFGDHQF-GARJFASQSA-N 1 1 184.327 1.702 10 0 ADAEMO CCCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300048884 487141948 /nfs/dbraw/zinc/14/19/48/487141948.db2.gz NLRZWCISWWCSAH-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCC[N@@H+]1C[C@H](C)[C@H](N)C1 300048884 487141955 /nfs/dbraw/zinc/14/19/55/487141955.db2.gz NLRZWCISWWCSAH-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCC[N@H+]1C[C@H](C)[C@H](N)C1 300048884 487141959 /nfs/dbraw/zinc/14/19/59/487141959.db2.gz NLRZWCISWWCSAH-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCCN1C[C@H](C)[C@H]([NH3+])C1 300048884 487141963 /nfs/dbraw/zinc/14/19/63/487141963.db2.gz NLRZWCISWWCSAH-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO Cc1cnc([C@@H](C)[N@H+](C)CCCO)o1 685047473 487142043 /nfs/dbraw/zinc/14/20/43/487142043.db2.gz XMZOOLCKKBNKHI-SECBINFHSA-N 1 1 198.266 1.358 10 0 ADAEMO Cc1cnc([C@@H](C)[N@@H+](C)CCCO)o1 685047473 487142045 /nfs/dbraw/zinc/14/20/45/487142045.db2.gz XMZOOLCKKBNKHI-SECBINFHSA-N 1 1 198.266 1.358 10 0 ADAEMO CCC[C@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300047159 487142078 /nfs/dbraw/zinc/14/20/78/487142078.db2.gz CWUSSRAGFGDHQF-HBNTYKKESA-N 1 1 184.327 1.702 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@@H](N)[C@H](C)C1 300047159 487142083 /nfs/dbraw/zinc/14/20/83/487142083.db2.gz CWUSSRAGFGDHQF-HBNTYKKESA-N 1 1 184.327 1.702 10 0 ADAEMO CCC[C@H](C)C[N@@H+]1C[C@@H](N)[C@H](C)C1 300047159 487142089 /nfs/dbraw/zinc/14/20/89/487142089.db2.gz CWUSSRAGFGDHQF-HBNTYKKESA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)CCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300047779 487142282 /nfs/dbraw/zinc/14/22/82/487142282.db2.gz FURJJULHYAOMNA-WDEREUQCSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)CCC[N@@H+]1C[C@H](C)[C@H](N)C1 300047779 487142286 /nfs/dbraw/zinc/14/22/86/487142286.db2.gz FURJJULHYAOMNA-WDEREUQCSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)CCC[N@H+]1C[C@H](C)[C@H](N)C1 300047779 487142291 /nfs/dbraw/zinc/14/22/91/487142291.db2.gz FURJJULHYAOMNA-WDEREUQCSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)CCCN1C[C@H](C)[C@H]([NH3+])C1 300047779 487142298 /nfs/dbraw/zinc/14/22/98/487142298.db2.gz FURJJULHYAOMNA-WDEREUQCSA-N 1 1 184.327 1.702 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 300047157 487142313 /nfs/dbraw/zinc/14/23/13/487142313.db2.gz CWUSSRAGFGDHQF-DCAQKATOSA-N 1 1 184.327 1.702 10 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/nfs/dbraw/zinc/14/36/13/487143613.db2.gz NBDLMJRQIYDQKE-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[N@H+](C)Cc1cn(C(C)C)nn1 685410133 487143660 /nfs/dbraw/zinc/14/36/60/487143660.db2.gz GFRWVAVJDYVZLO-UHFFFAOYSA-N 1 1 196.298 1.701 10 0 ADAEMO CCC[N@@H+](C)Cc1cn(C(C)C)nn1 685410133 487143664 /nfs/dbraw/zinc/14/36/64/487143664.db2.gz GFRWVAVJDYVZLO-UHFFFAOYSA-N 1 1 196.298 1.701 10 0 ADAEMO CCC[C@@H](C)C[N@@H+](C)CCCO 300741861 487143666 /nfs/dbraw/zinc/14/36/66/487143666.db2.gz AWPHVNSGIMPZTB-SNVBAGLBSA-N 1 1 173.300 1.737 10 0 ADAEMO CCC(CC)C[N@@H+](C)CCCO 300786719 487144564 /nfs/dbraw/zinc/14/45/64/487144564.db2.gz WUFJUDBWKUEZHG-UHFFFAOYSA-N 1 1 173.300 1.737 10 0 ADAEMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccco2)C1 685438505 487144666 /nfs/dbraw/zinc/14/46/66/487144666.db2.gz QTLOSUPRNSQQPP-JGZJWPJOSA-N 1 1 195.262 1.889 10 0 ADAEMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cn[nH]c2)C1 685438513 487144902 /nfs/dbraw/zinc/14/49/02/487144902.db2.gz TYXNBASWZDEOLQ-AOOOYVTPSA-N 1 1 195.266 1.019 10 0 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CC(C)C[C@H](CO)[N@@H+](C)C[C@@H]1C[C@@H]1C 685470291 487145857 /nfs/dbraw/zinc/14/58/57/487145857.db2.gz FZXHKDAVCXACNM-SDDRHHMPSA-N 1 1 199.338 1.981 10 0 ADAEMO CC(C)C[C@H](CO)[N@@H+](C)C[C@H]1C[C@@H]1C 685470289 487145873 /nfs/dbraw/zinc/14/58/73/487145873.db2.gz FZXHKDAVCXACNM-QJPTWQEYSA-N 1 1 199.338 1.981 10 0 ADAEMO CC1(C[N@H+]2CCN3CCC2CC3)CC1 685458641 487145916 /nfs/dbraw/zinc/14/59/16/487145916.db2.gz NMISOLMIMFQWBA-UHFFFAOYSA-N 1 1 194.322 1.567 10 0 ADAEMO C[N@@H+](C[C@H](O)C1CC1)CC1(C)CCC1 685461054 487146000 /nfs/dbraw/zinc/14/60/00/487146000.db2.gz PUHGETWGYVKVAC-NSHDSACASA-N 1 1 197.322 1.879 10 0 ADAEMO CC(C)C[C@H](C)C[N@@H+](C)[C@@H](C)CO 300927503 487147254 /nfs/dbraw/zinc/14/72/54/487147254.db2.gz NLOYJYLEQXADPF-QWRGUYRKSA-N 1 1 187.327 1.981 10 0 ADAEMO CC(C)C[C@@H](C)C[N@@H+](C)[C@@H](C)CO 300927500 487147371 /nfs/dbraw/zinc/14/73/71/487147371.db2.gz NLOYJYLEQXADPF-MNOVXSKESA-N 1 1 187.327 1.981 10 0 ADAEMO Cc1nc(C)c(C[N@H+](C)[C@H](C)CO)o1 685583894 487148063 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170.300 1.500 10 0 ADAEMO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H](C)N 306168793 487150487 /nfs/dbraw/zinc/15/04/87/487150487.db2.gz CNZRZKXEDCFLEK-IMSYWVGJSA-N 1 1 170.300 1.500 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C1 306168813 487150541 /nfs/dbraw/zinc/15/05/41/487150541.db2.gz CNZRZKXEDCFLEK-RGOKHQFPSA-N 1 1 170.300 1.500 10 0 ADAEMO FC1(C[N@@H+]2CCn3cncc3C2)CC1 685850124 487150547 /nfs/dbraw/zinc/15/05/47/487150547.db2.gz KWYAHYULJSRJQY-UHFFFAOYSA-N 1 1 195.241 1.201 10 0 ADAEMO FC1(C[N@H+]2CCn3cncc3C2)CC1 685850124 487150551 /nfs/dbraw/zinc/15/05/51/487150551.db2.gz KWYAHYULJSRJQY-UHFFFAOYSA-N 1 1 195.241 1.201 10 0 ADAEMO Cc1cn[nH]c1C[N@@H+](C)CCC1CC1 685838923 487150568 /nfs/dbraw/zinc/15/05/68/487150568.db2.gz OPKOTYZZKPOPDZ-UHFFFAOYSA-N 1 1 193.294 1.950 10 0 ADAEMO Cc1c[nH]nc1C[N@H+](C)CCC1CC1 685838923 487150569 /nfs/dbraw/zinc/15/05/69/487150569.db2.gz OPKOTYZZKPOPDZ-UHFFFAOYSA-N 1 1 193.294 1.950 10 0 ADAEMO Cc1c[nH]nc1C[N@@H+](C)CCC1CC1 685838923 487150573 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184.327 1.572 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCN(C)C 321150229 487212552 /nfs/dbraw/zinc/21/25/52/487212552.db2.gz WDOGEIYTESHDFG-MXWKQRLJSA-N 1 1 184.327 1.572 10 0 ADAEMO C[C@H]([NH2+]CCCN(C)C)[C@H]1C[C@H]1C 321150232 487212606 /nfs/dbraw/zinc/21/26/06/487212606.db2.gz WDOGEIYTESHDFG-VWYCJHECSA-N 1 1 184.327 1.572 10 0 ADAEMO C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCN(C)C 321150228 487212614 /nfs/dbraw/zinc/21/26/14/487212614.db2.gz WDOGEIYTESHDFG-GMTAPVOTSA-N 1 1 184.327 1.572 10 0 ADAEMO Cc1[nH]ncc1C[NH2+][C@H](C)[C@H]1C[C@@H]1C 321645031 487214994 /nfs/dbraw/zinc/21/49/94/487214994.db2.gz VBQSBWLYJAKVPZ-NMLBEHRDSA-N 1 1 193.294 1.852 10 0 ADAEMO Cc1[nH]ncc1C[NH2+][C@H](C)[C@@H]1C[C@H]1C 321645026 487215116 /nfs/dbraw/zinc/21/51/16/487215116.db2.gz VBQSBWLYJAKVPZ-BCMRRPTOSA-N 1 1 193.294 1.852 10 0 ADAEMO Cc1[nH]ncc1C[NH2+][C@H](C)[C@H]1C[C@H]1C 321645033 487215154 /nfs/dbraw/zinc/21/51/54/487215154.db2.gz VBQSBWLYJAKVPZ-ZOFUNIGCSA-N 1 1 193.294 1.852 10 0 ADAEMO Cc1[nH]ncc1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C 321645028 487215337 /nfs/dbraw/zinc/21/53/37/487215337.db2.gz VBQSBWLYJAKVPZ-JVUFJMBOSA-N 1 1 193.294 1.852 10 0 ADAEMO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1C[C@H]1C 321758430 487215612 /nfs/dbraw/zinc/21/56/12/487215612.db2.gz CGFLOICPPYVXKY-KHQFGBGNSA-N 1 1 179.267 1.544 10 0 ADAEMO C[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1C[C@H]1C 321758433 487215921 /nfs/dbraw/zinc/21/59/21/487215921.db2.gz CGFLOICPPYVXKY-WEDXCCLWSA-N 1 1 179.267 1.544 10 0 ADAEMO C[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccn[nH]1 321758432 487215957 /nfs/dbraw/zinc/21/59/57/487215957.db2.gz CGFLOICPPYVXKY-NQMVMOMDSA-N 1 1 179.267 1.544 10 0 ADAEMO C[C@H](CCN(C)C)[NH2+][C@H](C)[C@@H]1C[C@H]1C 322172150 487218859 /nfs/dbraw/zinc/21/88/59/487218859.db2.gz MAPFPYNCJFPANB-DDHJBXDOSA-N 1 1 198.354 1.961 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC(F)(F)CO 322138416 487218022 /nfs/dbraw/zinc/21/80/22/487218022.db2.gz GGCKGTBOQYUGBM-PRJMDXOYSA-N 1 1 193.237 1.248 10 0 ADAEMO C[C@H]([NH2+]CC(F)(F)CO)[C@@H]1C[C@H]1C 322138414 487218259 /nfs/dbraw/zinc/21/82/59/487218259.db2.gz GGCKGTBOQYUGBM-GJMOJQLCSA-N 1 1 193.237 1.248 10 0 ADAEMO C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC(F)(F)CO 322138411 487218360 /nfs/dbraw/zinc/21/83/60/487218360.db2.gz GGCKGTBOQYUGBM-BWZBUEFSSA-N 1 1 193.237 1.248 10 0 ADAEMO C[C@H]([NH2+]CC(F)(F)CO)[C@H]1C[C@H]1C 322138413 487218372 /nfs/dbraw/zinc/21/83/72/487218372.db2.gz GGCKGTBOQYUGBM-CSMHCCOUSA-N 1 1 193.237 1.248 10 0 ADAEMO C[C@H]1C[C@H]1[C@@H](C)[NH2+][C@H](C)CCN(C)C 322172151 487218597 /nfs/dbraw/zinc/21/85/97/487218597.db2.gz MAPFPYNCJFPANB-IRCOFANPSA-N 1 1 198.354 1.961 10 0 ADAEMO C[C@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)CCN(C)C 322172153 487218741 /nfs/dbraw/zinc/21/87/41/487218741.db2.gz MAPFPYNCJFPANB-QCNOEVLYSA-N 1 1 198.354 1.961 10 0 ADAEMO C[C@H](CCN(C)C)[NH2+][C@H](C)[C@H]1C[C@H]1C 322172152 487218831 /nfs/dbraw/zinc/21/88/31/487218831.db2.gz MAPFPYNCJFPANB-KKOKHZNYSA-N 1 1 198.354 1.961 10 0 ADAEMO C[C@H](CN)[N@@H+](C)CC1(C)CCC1 322589151 487222262 /nfs/dbraw/zinc/22/22/62/487222262.db2.gz KHVZRDPHTHAEMU-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@H](C[NH3+])N(C)CC1(C)CCC1 322589151 487222267 /nfs/dbraw/zinc/22/22/67/487222267.db2.gz KHVZRDPHTHAEMU-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H](CN)[N@@H+](C)CC1(C)CCC1 324605835 487225683 /nfs/dbraw/zinc/22/56/83/487225683.db2.gz KHVZRDPHTHAEMU-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H](C[NH3+])N(C)CC1(C)CCC1 324605835 487225686 /nfs/dbraw/zinc/22/56/86/487225686.db2.gz KHVZRDPHTHAEMU-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CC[N@@H+]1CC[C@@H](NCc2ccco2)C1 328145018 487226269 /nfs/dbraw/zinc/22/62/69/487226269.db2.gz BXOAEWUVUMTKFU-SNVBAGLBSA-N 1 1 194.278 1.463 10 0 ADAEMO CC[N@H+]1CC[C@@H](NCc2ccco2)C1 328145018 487226273 /nfs/dbraw/zinc/22/62/73/487226273.db2.gz BXOAEWUVUMTKFU-SNVBAGLBSA-N 1 1 194.278 1.463 10 0 ADAEMO CC[N@@H+]1CC[C@H](NCc2ccco2)C1 328145017 487226366 /nfs/dbraw/zinc/22/63/66/487226366.db2.gz BXOAEWUVUMTKFU-JTQLQIEISA-N 1 1 194.278 1.463 10 0 ADAEMO CC[N@H+]1CC[C@H](NCc2ccco2)C1 328145017 487226369 /nfs/dbraw/zinc/22/63/69/487226369.db2.gz BXOAEWUVUMTKFU-JTQLQIEISA-N 1 1 194.278 1.463 10 0 ADAEMO CC(C)(CC[N@H+]1CC[C@H](N)C1)C1CC1 328426496 487227687 /nfs/dbraw/zinc/22/76/87/487227687.db2.gz LTKYQKQBANTQGK-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)(CCN1CC[C@H]([NH3+])C1)C1CC1 328426496 487227694 /nfs/dbraw/zinc/22/76/94/487227694.db2.gz LTKYQKQBANTQGK-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO Cc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)ncn1 334191365 487228362 /nfs/dbraw/zinc/22/83/62/487228362.db2.gz IHZMBCFLJTZGCR-WPRPVWTQSA-N 1 1 191.278 1.625 10 0 ADAEMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)ncn1 334191358 487228380 /nfs/dbraw/zinc/22/83/80/487228380.db2.gz IHZMBCFLJTZGCR-SCZZXKLOSA-N 1 1 191.278 1.625 10 0 ADAEMO Cc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)ncn1 334191361 487228394 /nfs/dbraw/zinc/22/83/94/487228394.db2.gz IHZMBCFLJTZGCR-WCBMZHEXSA-N 1 1 191.278 1.625 10 0 ADAEMO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)N(C)C 335188426 487230201 /nfs/dbraw/zinc/23/02/01/487230201.db2.gz GRLSCRDGHXMSRJ-VIFPVBQESA-N 1 1 198.310 1.195 10 0 ADAEMO Cc1nccn1CC[N@@H+]1C[C@H](C)[C@H]1C 335931096 487232078 /nfs/dbraw/zinc/23/20/78/487232078.db2.gz VLNUPYGTUAUUHK-VHSXEESVSA-N 1 1 193.294 1.532 10 0 ADAEMO Cc1nccn1CC[N@@H+]1C[C@@H](C)[C@@H]1C 335931097 487232090 /nfs/dbraw/zinc/23/20/90/487232090.db2.gz VLNUPYGTUAUUHK-ZJUUUORDSA-N 1 1 193.294 1.532 10 0 ADAEMO Cc1nccn1CC[N@@H+]1C[C@H](C)[C@@H]1C 335931095 487232114 /nfs/dbraw/zinc/23/21/14/487232114.db2.gz VLNUPYGTUAUUHK-UWVGGRQHSA-N 1 1 193.294 1.532 10 0 ADAEMO CCC[N@@H+](CCO)Cc1coc(C)n1 381866867 487248971 /nfs/dbraw/zinc/24/89/71/487248971.db2.gz JPAPZHFQJUVZFO-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO C[C@H]([NH2+][C@H](C)[C@H](C)N)C1CCC1 379316859 487237705 /nfs/dbraw/zinc/23/77/05/487237705.db2.gz CDVSXHOYWCISBC-YIZRAAEISA-N 1 1 170.300 1.500 10 0 ADAEMO C[N@@H+](CCCO)CC1(C)CCC1 379316064 487237362 /nfs/dbraw/zinc/23/73/62/487237362.db2.gz WPFJTJWTNDHKKY-UHFFFAOYSA-N 1 1 171.284 1.491 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+][C@H](C)C1CCC1 379316857 487237577 /nfs/dbraw/zinc/23/75/77/487237577.db2.gz CDVSXHOYWCISBC-DJLDLDEBSA-N 1 1 170.300 1.500 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+][C@H](C)C1CCC1 379316858 487237848 /nfs/dbraw/zinc/23/78/48/487237848.db2.gz CDVSXHOYWCISBC-XHNCKOQMSA-N 1 1 170.300 1.500 10 0 ADAEMO C[C@H]([NH2+][C@@H](C)[C@H](C)N)C1CCC1 379316856 487237810 /nfs/dbraw/zinc/23/78/10/487237810.db2.gz CDVSXHOYWCISBC-CIUDSAMLSA-N 1 1 170.300 1.500 10 0 ADAEMO CCC(CC)C[N@H+]1CC[C@H](N)[C@H]1C 379343166 487238154 /nfs/dbraw/zinc/23/81/54/487238154.db2.gz JEZVKEQSLKLTOA-KOLCDFICSA-N 1 1 184.327 1.844 10 0 ADAEMO CC/C=C\CC[N@@H+](C)[C@@H](C)CO 379326607 487238207 /nfs/dbraw/zinc/23/82/07/487238207.db2.gz ADSFYRJQKSWYIZ-OMMCCPJFSA-N 1 1 171.284 1.655 10 0 ADAEMO CC/C=C/CC[N@@H+](C)[C@@H](C)CO 379326608 487238203 /nfs/dbraw/zinc/23/82/03/487238203.db2.gz ADSFYRJQKSWYIZ-PORFMDCZSA-N 1 1 171.284 1.655 10 0 ADAEMO CCC(CC)C[N@H+]1CC[C@@H](N)[C@@H]1C 379343165 487238277 /nfs/dbraw/zinc/23/82/77/487238277.db2.gz JEZVKEQSLKLTOA-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H](C[N@@H+](C)CCN)C(C)(C)C 379325318 487238293 /nfs/dbraw/zinc/23/82/93/487238293.db2.gz BTDRSGUSEUHFOG-VIFPVBQESA-N 1 1 172.316 1.559 10 0 ADAEMO C[C@@H](CN(C)CC[NH3+])C(C)(C)C 379325318 487238297 /nfs/dbraw/zinc/23/82/97/487238297.db2.gz BTDRSGUSEUHFOG-VIFPVBQESA-N 1 1 172.316 1.559 10 0 ADAEMO CCC(CC)C[N@H+]1CC[C@H](N)[C@@H]1C 379343168 487238382 /nfs/dbraw/zinc/23/83/82/487238382.db2.gz JEZVKEQSLKLTOA-ONGXEEELSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H](C[N@@H+](C)CCN)C(C)(C)C 379325317 487238454 /nfs/dbraw/zinc/23/84/54/487238454.db2.gz BTDRSGUSEUHFOG-SECBINFHSA-N 1 1 172.316 1.559 10 0 ADAEMO C[C@H](CN(C)CC[NH3+])C(C)(C)C 379325317 487238457 /nfs/dbraw/zinc/23/84/57/487238457.db2.gz BTDRSGUSEUHFOG-SECBINFHSA-N 1 1 172.316 1.559 10 0 ADAEMO CCC(CC)C[N@H+]1CC[C@@H](N)[C@H]1C 379343167 487238670 /nfs/dbraw/zinc/23/86/70/487238670.db2.gz JEZVKEQSLKLTOA-MWLCHTKSSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C 379344520 487239206 /nfs/dbraw/zinc/23/92/06/487239206.db2.gz AHVYYOIVGQVVTD-LPEHRKFASA-N 1 1 186.343 1.994 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C 379344519 487239269 /nfs/dbraw/zinc/23/92/69/487239269.db2.gz AHVYYOIVGQVVTD-KXUCPTDWSA-N 1 1 186.343 1.994 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C[C@H](C)C(C)(C)C 379344518 487239346 /nfs/dbraw/zinc/23/93/46/487239346.db2.gz AHVYYOIVGQVVTD-GUBZILKMSA-N 1 1 186.343 1.994 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C 379344521 487239367 /nfs/dbraw/zinc/23/93/67/487239367.db2.gz AHVYYOIVGQVVTD-UTLUCORTSA-N 1 1 186.343 1.994 10 0 ADAEMO CCC[C@H](C)[N@H+]1CC[C@](F)(CO)C1 379361575 487239644 /nfs/dbraw/zinc/23/96/44/487239644.db2.gz CSVDQAWWYKKCOB-VHSXEESVSA-N 1 1 189.274 1.581 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 379361573 487239655 /nfs/dbraw/zinc/23/96/55/487239655.db2.gz CSVDQAWWYKKCOB-NXEZZACHSA-N 1 1 189.274 1.581 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 379361576 487239672 /nfs/dbraw/zinc/23/96/72/487239672.db2.gz CSVDQAWWYKKCOB-ZJUUUORDSA-N 1 1 189.274 1.581 10 0 ADAEMO CCC[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 379361574 487239682 /nfs/dbraw/zinc/23/96/82/487239682.db2.gz CSVDQAWWYKKCOB-UWVGGRQHSA-N 1 1 189.274 1.581 10 0 ADAEMO CCC[N@@H+](C)C[C@H]1CCC[C@@H](O)C1 379379473 487241032 /nfs/dbraw/zinc/24/10/32/487241032.db2.gz BBSOJQUWBFVGBE-WDEREUQCSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[N@@H+](C)C[C@H]1CCC[C@H](O)C1 379379472 487241122 /nfs/dbraw/zinc/24/11/22/487241122.db2.gz BBSOJQUWBFVGBE-QWRGUYRKSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[N@@H+](C)C[C@@H]1CCC[C@H](O)C1 379379471 487241135 /nfs/dbraw/zinc/24/11/35/487241135.db2.gz BBSOJQUWBFVGBE-MNOVXSKESA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[N@@H+](C)C[C@@H]1CCC[C@@H](O)C1 379379470 487241276 /nfs/dbraw/zinc/24/12/76/487241276.db2.gz BBSOJQUWBFVGBE-GHMZBOCLSA-N 1 1 185.311 1.879 10 0 ADAEMO 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757129964 582458656 /nfs/dbraw/zinc/45/86/56/582458656.db2.gz NCTUOGXVGLELJE-WOPDTQHZSA-N 1 1 194.322 1.613 10 0 ADAEMO C[C@H]1C[C@H]1[N@H+]1CCCC12CC[NH2+]CC2 757131265 582458667 /nfs/dbraw/zinc/45/86/67/582458667.db2.gz QAYYCNUDYFVVCF-WDEREUQCSA-N 1 1 194.322 1.613 10 0 ADAEMO CC[C@H](C)N1CCC[C@@]12CC[NH2+]C2 757128088 582458690 /nfs/dbraw/zinc/45/86/90/582458690.db2.gz ISEFXMGXWNXYLB-QWRGUYRKSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@@H]1C[C@H]1[N@H+]1CCCC12CC[NH2+]CC2 757131252 582458702 /nfs/dbraw/zinc/45/87/02/582458702.db2.gz QAYYCNUDYFVVCF-GHMZBOCLSA-N 1 1 194.322 1.613 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+]1CCCC12CNC2 757133248 582458930 /nfs/dbraw/zinc/45/89/30/582458930.db2.gz HLMUDGFKQSMBGQ-VIFPVBQESA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCCC12CNC2 757133248 582458933 /nfs/dbraw/zinc/45/89/33/582458933.db2.gz HLMUDGFKQSMBGQ-VIFPVBQESA-N 1 1 180.295 1.223 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+]1CCCC12CNC2 757135300 582458976 /nfs/dbraw/zinc/45/89/76/582458976.db2.gz TUGHPSIHDASYIT-SNVBAGLBSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CCCC12CNC2 757135300 582458978 /nfs/dbraw/zinc/45/89/78/582458978.db2.gz TUGHPSIHDASYIT-SNVBAGLBSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H](C1CC1)[N@@H+]1CCCC12CNC2 757133238 582459003 /nfs/dbraw/zinc/45/90/03/582459003.db2.gz HLMUDGFKQSMBGQ-SECBINFHSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCCC12CNC2 757133238 582459004 /nfs/dbraw/zinc/45/90/04/582459004.db2.gz HLMUDGFKQSMBGQ-SECBINFHSA-N 1 1 180.295 1.223 10 0 ADAEMO CCC[C@@H](C)[N@@H+]1CCCC12CNC2 757132533 582459041 /nfs/dbraw/zinc/45/90/41/582459041.db2.gz BKZNQPXCKRLOSD-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CCCC12CNC2 757132533 582459043 /nfs/dbraw/zinc/45/90/43/582459043.db2.gz BKZNQPXCKRLOSD-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@H](C)[N@@H+]1CCCC12CNC2 757132532 582459191 /nfs/dbraw/zinc/45/91/91/582459191.db2.gz BKZNQPXCKRLOSD-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CCC[C@H](C)[N@H+]1CCCC12CNC2 757132532 582459195 /nfs/dbraw/zinc/45/91/95/582459195.db2.gz BKZNQPXCKRLOSD-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CCN1CCC[C@@]12C[NH2+]C[C@H](C)C2 757135056 582459305 /nfs/dbraw/zinc/45/93/05/582459305.db2.gz YDBJSJDJOQLONJ-GHMZBOCLSA-N 1 1 182.311 1.470 10 0 ADAEMO CCN1CCC[C@]12C[NH2+]C[C@H](C)C2 757135059 582459332 /nfs/dbraw/zinc/45/93/32/582459332.db2.gz YDBJSJDJOQLONJ-MNOVXSKESA-N 1 1 182.311 1.470 10 0 ADAEMO CCN1CCC[C@]12C[NH2+]C[C@@H](C)C2 757135062 582459438 /nfs/dbraw/zinc/45/94/38/582459438.db2.gz YDBJSJDJOQLONJ-QWRGUYRKSA-N 1 1 182.311 1.470 10 0 ADAEMO CC(C)[C@H](C)[N@@H+]1CCCC12CNC2 757135290 582459395 /nfs/dbraw/zinc/45/93/95/582459395.db2.gz TUGHPSIHDASYIT-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CCCC12CNC2 757135290 582459396 /nfs/dbraw/zinc/45/93/96/582459396.db2.gz TUGHPSIHDASYIT-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO CCN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 757135066 582459462 /nfs/dbraw/zinc/45/94/62/582459462.db2.gz YDBJSJDJOQLONJ-WDEREUQCSA-N 1 1 182.311 1.470 10 0 ADAEMO CCC(CC)[N@@H+]1CCCC12CNC2 757134834 582459507 /nfs/dbraw/zinc/45/95/07/582459507.db2.gz PNTLLGBJSOPWSQ-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC(CC)[N@H+]1CCCC12CNC2 757134834 582459509 /nfs/dbraw/zinc/45/95/09/582459509.db2.gz PNTLLGBJSOPWSQ-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)CC[N@@H+]1CCCC12CNC2 757136235 582459758 /nfs/dbraw/zinc/45/97/58/582459758.db2.gz ZNRCIJBBRDLZNU-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO CC(C)CC[N@H+]1CCCC12CNC2 757136235 582459759 /nfs/dbraw/zinc/45/97/59/582459759.db2.gz ZNRCIJBBRDLZNU-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO CC(C)[C@H]1OC2(COC2)[NH2+]CC12CC2 757138388 582460391 /nfs/dbraw/zinc/46/03/91/582460391.db2.gz BXVQAAQPTMLOIQ-SECBINFHSA-N 1 1 197.278 1.138 10 0 ADAEMO CC(C)[C@@H]1OC2(COC2)[NH2+]CC12CC2 757138390 582460829 /nfs/dbraw/zinc/46/08/29/582460829.db2.gz BXVQAAQPTMLOIQ-VIFPVBQESA-N 1 1 197.278 1.138 10 0 ADAEMO CC[NH+]1CCC2(CC1)NCC[C@@H](C)O2 757139774 582461385 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QRKCCQNAKBJSSN-MNOVXSKESA-N 1 1 198.310 1.197 10 0 ADAEMO C[C@@H]1CCO[C@]2(CCC[N@@H+](C)CC2)N1 757150297 582466119 /nfs/dbraw/zinc/46/61/19/582466119.db2.gz QRKCCQNAKBJSSN-MNOVXSKESA-N 1 1 198.310 1.197 10 0 ADAEMO C[C@H]1[NH2+][C@@H](c2ccco2)CCO1 757150134 582466399 /nfs/dbraw/zinc/46/63/99/582466399.db2.gz PBLZRXFQULKUQL-JGVFFNPUSA-N 1 1 167.208 1.677 10 0 ADAEMO C[C@@H]1[NH2+][C@H](c2ccco2)CCO1 757150144 582466422 /nfs/dbraw/zinc/46/64/22/582466422.db2.gz PBLZRXFQULKUQL-SFYZADRCSA-N 1 1 167.208 1.677 10 0 ADAEMO C[C@@H]1CCO[C@@]2(CCC[N@@H+](C)CC2)[NH2+]1 757150291 582466433 /nfs/dbraw/zinc/46/64/33/582466433.db2.gz QRKCCQNAKBJSSN-GHMZBOCLSA-N 1 1 198.310 1.197 10 0 ADAEMO C[C@@H]1CCO[C@@]2(CCC[N@H+](C)CC2)N1 757150291 582466434 /nfs/dbraw/zinc/46/64/34/582466434.db2.gz QRKCCQNAKBJSSN-GHMZBOCLSA-N 1 1 198.310 1.197 10 0 ADAEMO C[C@@H]1CCO[C@@]2(CCC[N@@H+](C)CC2)N1 757150291 582466435 /nfs/dbraw/zinc/46/64/35/582466435.db2.gz QRKCCQNAKBJSSN-GHMZBOCLSA-N 1 1 198.310 1.197 10 0 ADAEMO C[C@H]1C[C@@H](C)NC2(CC[NH+](C)CC2)O1 757153795 582467419 /nfs/dbraw/zinc/46/74/19/582467419.db2.gz XOOZBFAFGSIHQP-ZJUUUORDSA-N 1 1 198.310 1.195 10 0 ADAEMO CCC1(CC)C[NH2+]C2(COC2)OC1 757153622 582467723 /nfs/dbraw/zinc/46/77/23/582467723.db2.gz YHUNRVHOIPDREK-UHFFFAOYSA-N 1 1 185.267 1.139 10 0 ADAEMO CCC[C@H](C)C[N@@H+]1CC[C@H]1CN 757160222 582468250 /nfs/dbraw/zinc/46/82/50/582468250.db2.gz RJDCDZAIXKJHIO-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[C@H](C)C[N@H+]1CC[C@H]1CN 757160222 582468251 /nfs/dbraw/zinc/46/82/51/582468251.db2.gz RJDCDZAIXKJHIO-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[C@@H](C)C[N@@H+]1CC[C@@H]1CN 757160219 582468280 /nfs/dbraw/zinc/46/82/80/582468280.db2.gz RJDCDZAIXKJHIO-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H]1CN 757160219 582468282 /nfs/dbraw/zinc/46/82/82/582468282.db2.gz RJDCDZAIXKJHIO-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[C@@H](C)C[N@@H+]1CC[C@H]1CN 757160226 582468408 /nfs/dbraw/zinc/46/84/08/582468408.db2.gz RJDCDZAIXKJHIO-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CC[C@H]1CN 757160226 582468410 /nfs/dbraw/zinc/46/84/10/582468410.db2.gz RJDCDZAIXKJHIO-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[C@H](C)C[N@@H+]1CC[C@@H]1CN 757160225 582468613 /nfs/dbraw/zinc/46/86/13/582468613.db2.gz RJDCDZAIXKJHIO-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[C@H](C)C[N@H+]1CC[C@@H]1CN 757160225 582468614 /nfs/dbraw/zinc/46/86/14/582468614.db2.gz RJDCDZAIXKJHIO-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO Cc1[nH+]ccn1-c1cccnc1C=O 757164144 582468738 /nfs/dbraw/zinc/46/87/38/582468738.db2.gz JEPBAJYFGVOHJE-UHFFFAOYSA-N 1 1 187.202 1.388 10 0 ADAEMO CCOC(=O)[C@@H]([NH3+])C[C@H](C)C1CC1 757170974 582469866 /nfs/dbraw/zinc/46/98/66/582469866.db2.gz XODGBMXDCSIQLY-CBAPKCEASA-N 1 1 185.267 1.313 10 0 ADAEMO CC(C)[C@@H](C)c1[nH]nc2c1C[NH2+]CC2 757168588 582469881 /nfs/dbraw/zinc/46/98/81/582469881.db2.gz INXDOPQFMNUDIA-MRVPVSSYSA-N 1 1 193.294 1.815 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1c1[nH]ncc1N 757170741 582469966 /nfs/dbraw/zinc/46/99/66/582469966.db2.gz JSQWQGFPTBREJO-QMMMGPOBSA-N 1 1 180.255 1.149 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1[nH]ncc1N 757170741 582469968 /nfs/dbraw/zinc/46/99/68/582469968.db2.gz JSQWQGFPTBREJO-QMMMGPOBSA-N 1 1 180.255 1.149 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1c1n[nH]cc1N 757170741 582469970 /nfs/dbraw/zinc/46/99/70/582469970.db2.gz JSQWQGFPTBREJO-QMMMGPOBSA-N 1 1 180.255 1.149 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1n[nH]cc1N 757170741 582469971 /nfs/dbraw/zinc/46/99/71/582469971.db2.gz JSQWQGFPTBREJO-QMMMGPOBSA-N 1 1 180.255 1.149 10 0 ADAEMO C[C@H]1C[C@H]1c1[nH]nc2c1C[NH2+]CC2 757168457 582469978 /nfs/dbraw/zinc/46/99/78/582469978.db2.gz DRZGLMXTOOPDBT-NKWVEPMBSA-N 1 1 177.251 1.179 10 0 ADAEMO C[C@@H]1C[C@H]1c1[nH]nc2c1C[NH2+]CC2 757168461 582470003 /nfs/dbraw/zinc/47/00/03/582470003.db2.gz DRZGLMXTOOPDBT-RNFRBKRXSA-N 1 1 177.251 1.179 10 0 ADAEMO C[C@@H]1C[C@@H]1c1[nH]nc2c1C[NH2+]CC2 757168464 582470023 /nfs/dbraw/zinc/47/00/23/582470023.db2.gz DRZGLMXTOOPDBT-RQJHMYQMSA-N 1 1 177.251 1.179 10 0 ADAEMO CCC[C@@H](C)c1[nH]nc2c1C[NH2+]CC2 757168972 582470040 /nfs/dbraw/zinc/47/00/40/582470040.db2.gz QTVQFHWGOKXJCR-MRVPVSSYSA-N 1 1 193.294 1.959 10 0 ADAEMO CCC(C)(C)c1[nH]nc2c1C[NH2+]CC2 757168309 582470084 /nfs/dbraw/zinc/47/00/84/582470084.db2.gz BOLPHRCHIGPYBE-UHFFFAOYSA-N 1 1 193.294 1.743 10 0 ADAEMO CCOC(=O)[C@H]([NH3+])C[C@H](C)C1CC1 757170975 582470094 /nfs/dbraw/zinc/47/00/94/582470094.db2.gz XODGBMXDCSIQLY-IONNQARKSA-N 1 1 185.267 1.313 10 0 ADAEMO CC[C@H](C)c1[nH]nc2c1C[NH2+]CC2 757169250 582470205 /nfs/dbraw/zinc/47/02/05/582470205.db2.gz YZDBPDGWQRZWJJ-ZETCQYMHSA-N 1 1 179.267 1.569 10 0 ADAEMO C[C@H]1C[C@@H]1c1[nH]nc2c1C[NH2+]CC2 757168453 582470218 /nfs/dbraw/zinc/47/02/18/582470218.db2.gz DRZGLMXTOOPDBT-BQBZGAKWSA-N 1 1 177.251 1.179 10 0 ADAEMO CCOC(=O)[C@@H]([NH3+])C[C@@H](C)C1CC1 757170972 582470276 /nfs/dbraw/zinc/47/02/76/582470276.db2.gz XODGBMXDCSIQLY-APPZFPTMSA-N 1 1 185.267 1.313 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1c1[nH]ncc1N 757170740 582470288 /nfs/dbraw/zinc/47/02/88/582470288.db2.gz JSQWQGFPTBREJO-MRVPVSSYSA-N 1 1 180.255 1.149 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1[nH]ncc1N 757170740 582470291 /nfs/dbraw/zinc/47/02/91/582470291.db2.gz JSQWQGFPTBREJO-MRVPVSSYSA-N 1 1 180.255 1.149 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1c1n[nH]cc1N 757170740 582470293 /nfs/dbraw/zinc/47/02/93/582470293.db2.gz JSQWQGFPTBREJO-MRVPVSSYSA-N 1 1 180.255 1.149 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1n[nH]cc1N 757170740 582470294 /nfs/dbraw/zinc/47/02/94/582470294.db2.gz JSQWQGFPTBREJO-MRVPVSSYSA-N 1 1 180.255 1.149 10 0 ADAEMO CCOC(=O)[C@H]([NH3+])C[C@@H](C)C1CC1 757170984 582470325 /nfs/dbraw/zinc/47/03/25/582470325.db2.gz XODGBMXDCSIQLY-VXNVDRBHSA-N 1 1 185.267 1.313 10 0 ADAEMO CC(C)[C@H](C)c1[nH]nc2c1C[NH2+]CC2 757168590 582470335 /nfs/dbraw/zinc/47/03/35/582470335.db2.gz INXDOPQFMNUDIA-QMMMGPOBSA-N 1 1 193.294 1.815 10 0 ADAEMO CCC(CC)c1[nH]nc2c1C[NH2+]CC2 757169073 582470463 /nfs/dbraw/zinc/47/04/63/582470463.db2.gz VSDSLLAKMDQHGG-UHFFFAOYSA-N 1 1 193.294 1.959 10 0 ADAEMO CCC[C@H](C)c1[nH]nc2c1C[NH2+]CC2 757168973 582470485 /nfs/dbraw/zinc/47/04/85/582470485.db2.gz QTVQFHWGOKXJCR-QMMMGPOBSA-N 1 1 193.294 1.959 10 0 ADAEMO CC[C@@H](C)c1[nH]nc2c1C[NH2+]CC2 757169249 582470518 /nfs/dbraw/zinc/47/05/18/582470518.db2.gz YZDBPDGWQRZWJJ-SSDOTTSWSA-N 1 1 179.267 1.569 10 0 ADAEMO NC(=[NH2+])c1ccc(C(F)F)o1 757196468 582472578 /nfs/dbraw/zinc/47/25/78/582472578.db2.gz UYNFVZITZRTPJV-UHFFFAOYSA-N 1 1 160.123 1.501 10 0 ADAEMO C[C@@H]1CN[C@H](c2cccs2)[C@H]([NH3+])C1 757218512 582472902 /nfs/dbraw/zinc/47/29/02/582472902.db2.gz VKGGGPMDXIPKCA-XKSSXDPKSA-N 1 1 196.319 1.746 10 0 ADAEMO C[C@@H]1CN[C@H](c2cccs2)[C@@H]([NH3+])C1 757218509 582472966 /nfs/dbraw/zinc/47/29/66/582472966.db2.gz VKGGGPMDXIPKCA-NRPADANISA-N 1 1 196.319 1.746 10 0 ADAEMO C[C@@H]1CC[C@H](N)[C@H](c2ccsc2)[NH2+]1 757218566 582472976 /nfs/dbraw/zinc/47/29/76/582472976.db2.gz WKUZMEWCYFBBBI-JEZHCXPESA-N 1 1 196.319 1.888 10 0 ADAEMO C[C@@H]1CC[C@@H](N)[C@H](c2ccsc2)[NH2+]1 757218567 582472989 /nfs/dbraw/zinc/47/29/89/582472989.db2.gz WKUZMEWCYFBBBI-QNSHHTMESA-N 1 1 196.319 1.888 10 0 ADAEMO C[C@@H]1CC[C@H](N)[C@@H](c2ccsc2)[NH2+]1 757218565 582473010 /nfs/dbraw/zinc/47/30/10/582473010.db2.gz WKUZMEWCYFBBBI-FKTZTGRPSA-N 1 1 196.319 1.888 10 0 ADAEMO C[C@@H]1CC[C@@H](N)[C@@H](c2ccsc2)[NH2+]1 757218568 582473038 /nfs/dbraw/zinc/47/30/38/582473038.db2.gz WKUZMEWCYFBBBI-SZEHBUNVSA-N 1 1 196.319 1.888 10 0 ADAEMO C[C@@H]1CN[C@@H](c2cccs2)[C@H]([NH3+])C1 757218511 582473041 /nfs/dbraw/zinc/47/30/41/582473041.db2.gz VKGGGPMDXIPKCA-QXFUBDJGSA-N 1 1 196.319 1.746 10 0 ADAEMO CC(C)C[C@@H]1[NH2+][C@H](C)CC[C@H]1N 757218036 582473047 /nfs/dbraw/zinc/47/30/47/582473047.db2.gz UXWVLKDJFQQTRT-BBBLOLIVSA-N 1 1 170.300 1.500 10 0 ADAEMO C[C@@H]1CN[C@@H](c2cccs2)[C@@H]([NH3+])C1 757218510 582473083 /nfs/dbraw/zinc/47/30/83/582473083.db2.gz VKGGGPMDXIPKCA-OYNCUSHFSA-N 1 1 196.319 1.746 10 0 ADAEMO CC(C)C[C@@H]1[NH2+][C@@H](C)CC[C@H]1N 757218035 582473140 /nfs/dbraw/zinc/47/31/40/582473140.db2.gz UXWVLKDJFQQTRT-AEJSXWLSSA-N 1 1 170.300 1.500 10 0 ADAEMO CC[C@H]1CCC[N@H+]1CN1CCCC1=O 144464759 582473297 /nfs/dbraw/zinc/47/32/97/582473297.db2.gz DFJFYIDSTROZNO-JTQLQIEISA-N 1 1 196.294 1.441 10 0 ADAEMO CCCCNc1nccn2c[nH+]cc12 891407976 582477824 /nfs/dbraw/zinc/47/78/24/582477824.db2.gz WKQYORJQIIYHER-UHFFFAOYSA-N 1 1 190.250 1.941 10 0 ADAEMO CC(C)CNc1nccn2c[nH+]cc12 891421435 582477946 /nfs/dbraw/zinc/47/79/46/582477946.db2.gz CZGSFCGCBHFZNW-UHFFFAOYSA-N 1 1 190.250 1.797 10 0 ADAEMO CC[C@H]1CCN(CC(F)(F)C[NH3+])C1 308340275 582477972 /nfs/dbraw/zinc/47/79/72/582477972.db2.gz QOPDWFQAIUAPCX-QMMMGPOBSA-N 1 1 192.253 1.312 10 0 ADAEMO CC[C@@H]1CCN(CC(F)(F)C[NH3+])C1 308340272 582478008 /nfs/dbraw/zinc/47/80/08/582478008.db2.gz QOPDWFQAIUAPCX-MRVPVSSYSA-N 1 1 192.253 1.312 10 0 ADAEMO C[C@H]1CCCC[N@H+](C[C@@H](C)CO)C1 306526172 582487574 /nfs/dbraw/zinc/48/75/74/582487574.db2.gz SXIQDYOVFBPPRL-WDEREUQCSA-N 1 1 185.311 1.737 10 0 ADAEMO COC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 306623474 582487585 /nfs/dbraw/zinc/48/75/85/582487585.db2.gz DTNJWEXWMKCWCS-KXUCPTDWSA-N 1 1 189.274 1.701 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H](CO)C1 306286710 582485617 /nfs/dbraw/zinc/48/56/17/582485617.db2.gz KWTFQBBPDOTGOL-WDEREUQCSA-N 1 1 185.311 1.735 10 0 ADAEMO C[N@@H+](CC1(F)CC1)[C@@H]1CCSC1 306462220 582486542 /nfs/dbraw/zinc/48/65/42/582486542.db2.gz GUBQJFPYNZTRCW-MRVPVSSYSA-N 1 1 189.299 1.926 10 0 ADAEMO CC(C)=CC[N@@H+]1C[C@H](C)[C@H](O)C1 306495555 582486581 /nfs/dbraw/zinc/48/65/81/582486581.db2.gz BZBRMEMSENKBFC-VHSXEESVSA-N 1 1 169.268 1.265 10 0 ADAEMO C[N@@H+](CC1(F)CC1)[C@H]1CCSC1 306462225 582486593 /nfs/dbraw/zinc/48/65/93/582486593.db2.gz GUBQJFPYNZTRCW-QMMMGPOBSA-N 1 1 189.299 1.926 10 0 ADAEMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](C)C1 306495553 582486709 /nfs/dbraw/zinc/48/67/09/582486709.db2.gz BZBRMEMSENKBFC-NXEZZACHSA-N 1 1 169.268 1.265 10 0 ADAEMO FC1(C[N@@H+]2CC=CCC2)CC1 306468448 582486729 /nfs/dbraw/zinc/48/67/29/582486729.db2.gz SFANTZSWCNNXHK-UHFFFAOYSA-N 1 1 155.216 1.750 10 0 ADAEMO CC(C)=CC[N@@H+]1C[C@@H](C)[C@@H](O)C1 306495556 582487142 /nfs/dbraw/zinc/48/71/42/582487142.db2.gz BZBRMEMSENKBFC-ZJUUUORDSA-N 1 1 169.268 1.265 10 0 ADAEMO CC(C)=CC[N@@H+]1C[C@H](C)[C@@H](O)C1 306495554 582487146 /nfs/dbraw/zinc/48/71/46/582487146.db2.gz BZBRMEMSENKBFC-UWVGGRQHSA-N 1 1 169.268 1.265 10 0 ADAEMO C[C@@H]1CCC[N@H+]1Cc1cocn1 306526410 582487526 /nfs/dbraw/zinc/48/75/26/582487526.db2.gz UMMOWLZPIFMXIA-MRVPVSSYSA-N 1 1 166.224 1.659 10 0 ADAEMO C[C@H]1CCC[N@H+]1Cc1cocn1 306526411 582487530 /nfs/dbraw/zinc/48/75/30/582487530.db2.gz UMMOWLZPIFMXIA-QMMMGPOBSA-N 1 1 166.224 1.659 10 0 ADAEMO C[C@H](CO)C[N@H+]1CCCC[C@@H](C)C1 306526170 582487533 /nfs/dbraw/zinc/48/75/33/582487533.db2.gz SXIQDYOVFBPPRL-MNOVXSKESA-N 1 1 185.311 1.737 10 0 ADAEMO C[C@H](CO)C[N@H+]1CCCC[C@H](C)C1 306526171 582487537 /nfs/dbraw/zinc/48/75/37/582487537.db2.gz SXIQDYOVFBPPRL-QWRGUYRKSA-N 1 1 185.311 1.737 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2cn[nH]c2)CCS1 306530136 582487557 /nfs/dbraw/zinc/48/75/57/582487557.db2.gz DCJGTNNSJQECML-QMMMGPOBSA-N 1 1 197.307 1.347 10 0 ADAEMO COC[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 306623475 582487616 /nfs/dbraw/zinc/48/76/16/582487616.db2.gz DTNJWEXWMKCWCS-LPEHRKFASA-N 1 1 189.274 1.701 10 0 ADAEMO COC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 306623476 582487781 /nfs/dbraw/zinc/48/77/81/582487781.db2.gz DTNJWEXWMKCWCS-UTLUCORTSA-N 1 1 189.274 1.701 10 0 ADAEMO C[C@@H]1COCCC[N@H+]1CC1(F)CC1 306656733 582488030 /nfs/dbraw/zinc/48/80/30/582488030.db2.gz JFEHZERPHQEKTG-SECBINFHSA-N 1 1 187.258 1.599 10 0 ADAEMO C[C@H]1COCCC[N@H+]1CC1(F)CC1 306656737 582488034 /nfs/dbraw/zinc/48/80/34/582488034.db2.gz JFEHZERPHQEKTG-VIFPVBQESA-N 1 1 187.258 1.599 10 0 ADAEMO C#C[C@@H]1CCC[N@H+](C(C)C)C1 146653324 582489017 /nfs/dbraw/zinc/48/90/17/582489017.db2.gz ARLJUUUKNSLTGC-SNVBAGLBSA-N 1 1 151.253 1.740 10 0 ADAEMO COCCC[N@H+](C)Cc1cocn1 308506510 582489429 /nfs/dbraw/zinc/48/94/29/582489429.db2.gz ZKVOAUAPFPJTON-UHFFFAOYSA-N 1 1 184.239 1.143 10 0 ADAEMO COCCC[N@@H+](C)Cc1cocn1 308506510 582489430 /nfs/dbraw/zinc/48/94/30/582489430.db2.gz ZKVOAUAPFPJTON-UHFFFAOYSA-N 1 1 184.239 1.143 10 0 ADAEMO CO[C@H]1C[C@@H]([N@@H+](C)CC2(F)CC2)C1 308506478 582489438 /nfs/dbraw/zinc/48/94/38/582489438.db2.gz ZIJMDTSQZFUOAR-DTORHVGOSA-N 1 1 187.258 1.598 10 0 ADAEMO C#C[C@H]1CCC[N@H+](C(C)C)C1 146653106 582489663 /nfs/dbraw/zinc/48/96/63/582489663.db2.gz ARLJUUUKNSLTGC-JTQLQIEISA-N 1 1 151.253 1.740 10 0 ADAEMO CCCC[N@@H+](C)[C@@H](C)CO 158328990 582491242 /nfs/dbraw/zinc/49/12/42/582491242.db2.gz PJFGYPQZEBLQQY-QMMMGPOBSA-N 1 1 145.246 1.099 10 0 ADAEMO CC[N@@H+]1CCCC[C@@H]1C(=O)OC1CC1 783188860 582495721 /nfs/dbraw/zinc/49/57/21/582495721.db2.gz DGALAQIDDVJAJV-SNVBAGLBSA-N 1 1 197.278 1.566 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1C(=O)OC1CC1 783188860 582495722 /nfs/dbraw/zinc/49/57/22/582495722.db2.gz DGALAQIDDVJAJV-SNVBAGLBSA-N 1 1 197.278 1.566 10 0 ADAEMO CC[N@@H+]1CCCC[C@H]1C(=O)OC1CC1 783188843 582495726 /nfs/dbraw/zinc/49/57/26/582495726.db2.gz DGALAQIDDVJAJV-JTQLQIEISA-N 1 1 197.278 1.566 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1C(=O)OC1CC1 783188843 582495727 /nfs/dbraw/zinc/49/57/27/582495727.db2.gz DGALAQIDDVJAJV-JTQLQIEISA-N 1 1 197.278 1.566 10 0 ADAEMO OC[C@@H]([NH2+]CCF)c1ccsc1 393314785 582491917 /nfs/dbraw/zinc/49/19/17/582491917.db2.gz JBAGQOVHINUGKA-MRVPVSSYSA-N 1 1 189.255 1.341 10 0 ADAEMO C[N@@H+](Cc1cocn1)CC1CC1 393321040 582491946 /nfs/dbraw/zinc/49/19/46/582491946.db2.gz JKPCQLXNLNQWHX-UHFFFAOYSA-N 1 1 166.224 1.516 10 0 ADAEMO C[N@H+](Cc1cocn1)CC1CC1 393321040 582491948 /nfs/dbraw/zinc/49/19/48/582491948.db2.gz JKPCQLXNLNQWHX-UHFFFAOYSA-N 1 1 166.224 1.516 10 0 ADAEMO OC[C@H]([NH2+]CCF)c1ccsc1 393314788 582492029 /nfs/dbraw/zinc/49/20/29/582492029.db2.gz JBAGQOVHINUGKA-QMMMGPOBSA-N 1 1 189.255 1.341 10 0 ADAEMO C[C@@H]([NH2+]CCF)c1ccnn1C 393321270 582492037 /nfs/dbraw/zinc/49/20/37/582492037.db2.gz GLFAKKDSCMJBCV-SSDOTTSWSA-N 1 1 171.219 1.040 10 0 ADAEMO CCCN(CC)CC(F)(F)C[NH3+] 393322741 582492243 /nfs/dbraw/zinc/49/22/43/582492243.db2.gz FHXGTCRTPNWGRI-UHFFFAOYSA-N 1 1 180.242 1.312 10 0 ADAEMO COCC[N@@H+](C)C1(C)CCCC1 393322201 582492359 /nfs/dbraw/zinc/49/23/59/582492359.db2.gz DHZYYPFOXJTQKF-UHFFFAOYSA-N 1 1 171.284 1.897 10 0 ADAEMO CC(C)C[C@@H](C)[NH2+]CC(C)(C)N 393326728 582492556 /nfs/dbraw/zinc/49/25/56/582492556.db2.gz SAUGQDALCMCWDB-SECBINFHSA-N 1 1 172.316 1.748 10 0 ADAEMO C[C@H]([NH2+]CCF)c1ccnn1C 393321274 582492721 /nfs/dbraw/zinc/49/27/21/582492721.db2.gz GLFAKKDSCMJBCV-ZETCQYMHSA-N 1 1 171.219 1.040 10 0 ADAEMO CC(C)C[C@H](C)[NH2+]CC(C)(C)N 393326729 582492766 /nfs/dbraw/zinc/49/27/66/582492766.db2.gz SAUGQDALCMCWDB-VIFPVBQESA-N 1 1 172.316 1.748 10 0 ADAEMO Cc1cccc(C[NH2+]CC2(F)CC2)n1 393690998 582493322 /nfs/dbraw/zinc/49/33/22/582493322.db2.gz SUDDBFYIJYRPGH-UHFFFAOYSA-N 1 1 194.253 1.982 10 0 ADAEMO C[N@H+](CC1=CCCOC1)CC1CC1 393699947 582493476 /nfs/dbraw/zinc/49/34/76/582493476.db2.gz AGKTXAOKONXKRQ-UHFFFAOYSA-N 1 1 181.279 1.675 10 0 ADAEMO Cc1n[nH]cc1C[N@@H+](C)CC1CC1 393701518 582493621 /nfs/dbraw/zinc/49/36/21/582493621.db2.gz DJOGAWIJJXKYEB-UHFFFAOYSA-N 1 1 179.267 1.560 10 0 ADAEMO Cc1[nH]ncc1C[N@H+](C)CC1CC1 393701518 582493624 /nfs/dbraw/zinc/49/36/24/582493624.db2.gz DJOGAWIJJXKYEB-UHFFFAOYSA-N 1 1 179.267 1.560 10 0 ADAEMO Cc1[nH]ncc1C[N@@H+](C)CC1CC1 393701518 582493628 /nfs/dbraw/zinc/49/36/28/582493628.db2.gz DJOGAWIJJXKYEB-UHFFFAOYSA-N 1 1 179.267 1.560 10 0 ADAEMO CO[C@H]1C[C@@H]([N@@H+](C)CC2CCC2)C1 393713592 582493911 /nfs/dbraw/zinc/49/39/11/582493911.db2.gz HVQPPHOPWQZNGC-PHIMTYICSA-N 1 1 183.295 1.896 10 0 ADAEMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](C)CO 393710970 582494002 /nfs/dbraw/zinc/49/40/02/582494002.db2.gz KDZZEVZWENKBIY-OUAUKWLOSA-N 1 1 185.311 1.735 10 0 ADAEMO COCCC[N@H+]1CC[C@@H](C)[C@H](F)C1 393710247 582494016 /nfs/dbraw/zinc/49/40/16/582494016.db2.gz XJTIRCPYXUSDPI-NXEZZACHSA-N 1 1 189.274 1.703 10 0 ADAEMO COCCC[N@H+]1CC[C@H](C)[C@@H](F)C1 393710249 582494026 /nfs/dbraw/zinc/49/40/26/582494026.db2.gz XJTIRCPYXUSDPI-UWVGGRQHSA-N 1 1 189.274 1.703 10 0 ADAEMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](C)CO 393710968 582494188 /nfs/dbraw/zinc/49/41/88/582494188.db2.gz KDZZEVZWENKBIY-GMTAPVOTSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[N@@H+](CC1=CCCOC1)C1CC1 393713465 582494218 /nfs/dbraw/zinc/49/42/18/582494218.db2.gz CHJZDMSFMZNXIH-UHFFFAOYSA-N 1 1 181.279 1.817 10 0 ADAEMO CN(CC(C)(C)C)CC(F)(F)C[NH3+] 393715114 582494223 /nfs/dbraw/zinc/49/42/23/582494223.db2.gz MIKIAGWMEKFYNU-UHFFFAOYSA-N 1 1 194.269 1.558 10 0 ADAEMO COCCC[N@H+]1CC[C@H](C)[C@H](F)C1 393710250 582494228 /nfs/dbraw/zinc/49/42/28/582494228.db2.gz XJTIRCPYXUSDPI-VHSXEESVSA-N 1 1 189.274 1.703 10 0 ADAEMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](C)CO 393710967 582494259 /nfs/dbraw/zinc/49/42/59/582494259.db2.gz KDZZEVZWENKBIY-GARJFASQSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](C)CO 393710969 582494406 /nfs/dbraw/zinc/49/44/06/582494406.db2.gz KDZZEVZWENKBIY-HBNTYKKESA-N 1 1 185.311 1.735 10 0 ADAEMO COCCC[N@H+]1CC[C@@H](C)[C@@H](F)C1 393710251 582494428 /nfs/dbraw/zinc/49/44/28/582494428.db2.gz XJTIRCPYXUSDPI-ZJUUUORDSA-N 1 1 189.274 1.703 10 0 ADAEMO COCC(C)(C)[NH2+]Cc1cocn1 393721628 582494656 /nfs/dbraw/zinc/49/46/56/582494656.db2.gz YDRBRUSSSKGEJS-UHFFFAOYSA-N 1 1 184.239 1.189 10 0 ADAEMO CCC(=O)CC[N@H+]1CCC2(COC2)C1 852683203 582497624 /nfs/dbraw/zinc/49/76/24/582497624.db2.gz HKUGWSNLQKPLOF-UHFFFAOYSA-N 1 1 197.278 1.078 10 0 ADAEMO COCC[N@@H+](CCF)CCC1CC1 852481897 582497776 /nfs/dbraw/zinc/49/77/76/582497776.db2.gz SXPBBNDXWVFWOH-UHFFFAOYSA-N 1 1 189.274 1.704 10 0 ADAEMO CCC[N@H+](CC)[C@@H]1CCCN[C@H]1C 396623145 582501102 /nfs/dbraw/zinc/50/11/02/582501102.db2.gz DXVROSNNQILFSD-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1CCCN[C@H]1C 396623145 582501103 /nfs/dbraw/zinc/50/11/03/582501103.db2.gz DXVROSNNQILFSD-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@H+](CC)[C@@H]1CCCN[C@@H]1C 396623142 582501203 /nfs/dbraw/zinc/50/12/03/582501203.db2.gz DXVROSNNQILFSD-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1CCCN[C@@H]1C 396623142 582501206 /nfs/dbraw/zinc/50/12/06/582501206.db2.gz DXVROSNNQILFSD-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CCOc1ccccc1[C@H](N)CC[NH3+] 396478521 582501243 /nfs/dbraw/zinc/50/12/43/582501243.db2.gz YVKDDFLGNKJSTD-SNVBAGLBSA-N 1 1 194.278 1.434 10 0 ADAEMO CCC[N@H+](CC)[C@H]1CCCN[C@H]1C 396623144 582501437 /nfs/dbraw/zinc/50/14/37/582501437.db2.gz DXVROSNNQILFSD-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CC)[C@H]1CCCN[C@H]1C 396623144 582501439 /nfs/dbraw/zinc/50/14/39/582501439.db2.gz DXVROSNNQILFSD-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@H+](CC)[C@H]1CCCN[C@@H]1C 396623143 582501474 /nfs/dbraw/zinc/50/14/74/582501474.db2.gz DXVROSNNQILFSD-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CC)[C@H]1CCCN[C@@H]1C 396623143 582501476 /nfs/dbraw/zinc/50/14/76/582501476.db2.gz DXVROSNNQILFSD-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CCOc1ccccc1[C@@H](N)CC[NH3+] 396478518 582501504 /nfs/dbraw/zinc/50/15/04/582501504.db2.gz YVKDDFLGNKJSTD-JTQLQIEISA-N 1 1 194.278 1.434 10 0 ADAEMO COC(=O)[C@H]([NH3+])CC1(C)CCCC1 118721596 582501863 /nfs/dbraw/zinc/50/18/63/582501863.db2.gz QIPCBKBXHORENJ-MRVPVSSYSA-N 1 1 185.267 1.457 10 0 ADAEMO Cc1ncoc1C[N@@H+](C)[C@H]1CCOC1 894001771 582508696 /nfs/dbraw/zinc/50/86/96/582508696.db2.gz JYELHUUPDORWPQ-VIFPVBQESA-N 1 1 196.250 1.204 10 0 ADAEMO Cc1ncoc1C[N@H+](C)[C@H]1CCOC1 894001771 582508697 /nfs/dbraw/zinc/50/86/97/582508697.db2.gz JYELHUUPDORWPQ-VIFPVBQESA-N 1 1 196.250 1.204 10 0 ADAEMO C[N@@H+](CC1CC1)C1(CN)CCCCC1 20226874 582504247 /nfs/dbraw/zinc/50/42/47/582504247.db2.gz ZNLJBGCDSXXHSJ-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO Cc1ncoc1C[N@@H+](C)[C@@H]1CCOC1 894001770 582508719 /nfs/dbraw/zinc/50/87/19/582508719.db2.gz JYELHUUPDORWPQ-SECBINFHSA-N 1 1 196.250 1.204 10 0 ADAEMO Cc1ncoc1C[N@H+](C)[C@@H]1CCOC1 894001770 582508720 /nfs/dbraw/zinc/50/87/20/582508720.db2.gz JYELHUUPDORWPQ-SECBINFHSA-N 1 1 196.250 1.204 10 0 ADAEMO C[N@@H+](CN1CCC1=O)C1CC(C)(C)C1 857235794 582504922 /nfs/dbraw/zinc/50/49/22/582504922.db2.gz ACCDCDQRWOSMKG-UHFFFAOYSA-N 1 1 196.294 1.297 10 0 ADAEMO CCC[N@@H+](C)Cc1cccc(OC)n1 602869108 582506223 /nfs/dbraw/zinc/50/62/23/582506223.db2.gz GPWXTJBYWRQCPA-UHFFFAOYSA-N 1 1 194.278 1.932 10 0 ADAEMO Cc1coc(C[N@H+](C)CC[C@H](C)O)c1 894033188 582508703 /nfs/dbraw/zinc/50/87/03/582508703.db2.gz CXUKFCHCHJUCFR-JTQLQIEISA-N 1 1 197.278 1.791 10 0 ADAEMO Cc1coc(C[N@H+](C)[C@@H]2CCOC2)c1 894002112 582508733 /nfs/dbraw/zinc/50/87/33/582508733.db2.gz NGJDIXKEEUPBRS-SNVBAGLBSA-N 1 1 195.262 1.809 10 0 ADAEMO Cc1coc(C[N@H+](C)[C@H]2CCOC2)c1 894002111 582508739 /nfs/dbraw/zinc/50/87/39/582508739.db2.gz NGJDIXKEEUPBRS-JTQLQIEISA-N 1 1 195.262 1.809 10 0 ADAEMO Cc1ncoc1C[N@H+](C)C1CCC1 894032297 582508675 /nfs/dbraw/zinc/50/86/75/582508675.db2.gz HMWCDQCQCWSCOR-UHFFFAOYSA-N 1 1 180.251 1.967 10 0 ADAEMO Cc1coc(C[N@H+](C)CC(C)(C)O)c1 894027963 582508757 /nfs/dbraw/zinc/50/87/57/582508757.db2.gz VVOUQPRXYNWEEI-UHFFFAOYSA-N 1 1 197.278 1.791 10 0 ADAEMO CO[C@@H]1CC[N@@H+](Cc2cc(C)co2)C1 894034399 582508797 /nfs/dbraw/zinc/50/87/97/582508797.db2.gz STLGGVBUCNHCDK-SNVBAGLBSA-N 1 1 195.262 1.809 10 0 ADAEMO Cc1n[nH]c(C[N@@H+](C)CC2CC2)c1C 893966689 582508965 /nfs/dbraw/zinc/50/89/65/582508965.db2.gz SLWRPDGRTSVQHW-UHFFFAOYSA-N 1 1 193.294 1.868 10 0 ADAEMO Cc1coc(C[N@H+]2CC[C@@H](CO)C2)c1 893985473 582509019 /nfs/dbraw/zinc/50/90/19/582509019.db2.gz CPLOYTVZUDCONV-SNVBAGLBSA-N 1 1 195.262 1.402 10 0 ADAEMO Cc1coc(C[N@H+](C)CC[C@@H](C)O)c1 894033189 582509110 /nfs/dbraw/zinc/50/91/10/582509110.db2.gz CXUKFCHCHJUCFR-SNVBAGLBSA-N 1 1 197.278 1.791 10 0 ADAEMO Cc1ncoc1C[N@H+]1CCC1(C)C 894032468 582509169 /nfs/dbraw/zinc/50/91/69/582509169.db2.gz JRRUBJAORHJEJP-UHFFFAOYSA-N 1 1 180.251 1.967 10 0 ADAEMO Cc1coc(C[N@@H+](CCO)C2CC2)c1 893944010 582509263 /nfs/dbraw/zinc/50/92/63/582509263.db2.gz LSUWAUMWRGRHPB-UHFFFAOYSA-N 1 1 195.262 1.545 10 0 ADAEMO Cc1coc(C[N@H+]2CCCOCC2)c1 893996039 582509369 /nfs/dbraw/zinc/50/93/69/582509369.db2.gz YCVNNMKWTUPSGH-UHFFFAOYSA-N 1 1 195.262 1.810 10 0 ADAEMO Cc1coc(C[N@H+]2CC[C@H](O)C2)c1 893945349 582509429 /nfs/dbraw/zinc/50/94/29/582509429.db2.gz BMDAMVGSFYJKLJ-VIFPVBQESA-N 1 1 181.235 1.155 10 0 ADAEMO Cc1coc(C[N@H+]2CC[C@H](CO)C2)c1 893985472 582509473 /nfs/dbraw/zinc/50/94/73/582509473.db2.gz CPLOYTVZUDCONV-JTQLQIEISA-N 1 1 195.262 1.402 10 0 ADAEMO CC[N@@H+](CCCO)Cc1cc(C)co1 894056156 582509856 /nfs/dbraw/zinc/50/98/56/582509856.db2.gz YKNWMARUOGDDKW-UHFFFAOYSA-N 1 1 197.278 1.792 10 0 ADAEMO CC[N@@H+](Cc1nccn1C)C(C)C 726691448 582511296 /nfs/dbraw/zinc/51/12/96/582511296.db2.gz FGDYCXSRODTSFH-UHFFFAOYSA-N 1 1 181.283 1.650 10 0 ADAEMO Cc1conc1C[N@@H+]1CC[C@@H]2C[C@@H]21 878316268 582511317 /nfs/dbraw/zinc/51/13/17/582511317.db2.gz HTTUZIIIYQRFQI-SCZZXKLOSA-N 1 1 178.235 1.577 10 0 ADAEMO Cc1conc1C[N@H+]1CC[C@@H]2C[C@@H]21 878316268 582511318 /nfs/dbraw/zinc/51/13/18/582511318.db2.gz HTTUZIIIYQRFQI-SCZZXKLOSA-N 1 1 178.235 1.577 10 0 ADAEMO CC[N@@H+]1CCC(=O)C12CCC2 606246197 582512788 /nfs/dbraw/zinc/51/27/88/582512788.db2.gz OPGYICVFGZNKSW-UHFFFAOYSA-N 1 1 153.225 1.204 10 0 ADAEMO CC[N@H+]1CCC(=O)C12CCC2 606246197 582512789 /nfs/dbraw/zinc/51/27/89/582512789.db2.gz OPGYICVFGZNKSW-UHFFFAOYSA-N 1 1 153.225 1.204 10 0 ADAEMO CC[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@H]1O 306541954 582512799 /nfs/dbraw/zinc/51/27/99/582512799.db2.gz UMTSKLHBOGNJGJ-GMTAPVOTSA-N 1 1 183.295 1.774 10 0 ADAEMO CC[N@@H+](CN1CCCC1=O)C1CCC1 738052797 582513227 /nfs/dbraw/zinc/51/32/27/582513227.db2.gz FJBXMPXOXZTESL-UHFFFAOYSA-N 1 1 196.294 1.441 10 0 ADAEMO ClC1=CCC[N@@H+]([C@H]2CCOC2)C1 878790964 582513384 /nfs/dbraw/zinc/51/33/84/582513384.db2.gz ZFMOFGJZSNNUIJ-VIFPVBQESA-N 1 1 187.670 1.604 10 0 ADAEMO ClC1=CCC[N@H+]([C@H]2CCOC2)C1 878790964 582513385 /nfs/dbraw/zinc/51/33/85/582513385.db2.gz ZFMOFGJZSNNUIJ-VIFPVBQESA-N 1 1 187.670 1.604 10 0 ADAEMO CCC[N@H+](CC)[C@H]1CC[C@H](C)NC1 62948641 582513645 /nfs/dbraw/zinc/51/36/45/582513645.db2.gz VSBVDODUSKJSTH-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CC)[C@H]1CC[C@H](C)NC1 62948641 582513647 /nfs/dbraw/zinc/51/36/47/582513647.db2.gz VSBVDODUSKJSTH-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@H+](CC)[C@@H]1CC[C@H](C)NC1 62948640 582513730 /nfs/dbraw/zinc/51/37/30/582513730.db2.gz VSBVDODUSKJSTH-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[N@@H+](CC)[C@@H]1CC[C@H](C)NC1 62948640 582513732 /nfs/dbraw/zinc/51/37/32/582513732.db2.gz VSBVDODUSKJSTH-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO ClC1=CCC[N@@H+]([C@@H]2CCOC2)C1 878790963 582513844 /nfs/dbraw/zinc/51/38/44/582513844.db2.gz ZFMOFGJZSNNUIJ-SECBINFHSA-N 1 1 187.670 1.604 10 0 ADAEMO ClC1=CCC[N@H+]([C@@H]2CCOC2)C1 878790963 582513845 /nfs/dbraw/zinc/51/38/45/582513845.db2.gz ZFMOFGJZSNNUIJ-SECBINFHSA-N 1 1 187.670 1.604 10 0 ADAEMO CC(C)(O)C(C)(C)[NH2+]Cc1ccn[nH]1 229020958 582515545 /nfs/dbraw/zinc/51/55/45/582515545.db2.gz XSCJBHBNZNOKAM-UHFFFAOYSA-N 1 1 197.282 1.049 10 0 ADAEMO Cc1coc(C[N@H+](C)C2CC(O)C2)c1 894462275 582515717 /nfs/dbraw/zinc/51/57/17/582515717.db2.gz TVGPXAVFBJVEFG-UHFFFAOYSA-N 1 1 195.262 1.543 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1cnccn1 894860708 582518951 /nfs/dbraw/zinc/51/89/51/582518951.db2.gz XOGJRPPKLKAORA-BDAKNGLRSA-N 1 1 177.251 1.317 10 0 ADAEMO Cc1coc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 894538818 582516476 /nfs/dbraw/zinc/51/64/76/582516476.db2.gz MINBEIPLVHEEBC-VHSXEESVSA-N 1 1 195.262 1.543 10 0 ADAEMO Cc1ncoc1C[N@@H+](C)CCCCO 894539625 582516483 /nfs/dbraw/zinc/51/64/83/582516483.db2.gz WDCVBBQXOKYSRA-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO Cc1coc(C[N@@H+](C)CCCCO)c1 894538318 582516580 /nfs/dbraw/zinc/51/65/80/582516580.db2.gz JMLWBARQGHAOOA-UHFFFAOYSA-N 1 1 197.278 1.792 10 0 ADAEMO Cc1coc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1 894538817 582516694 /nfs/dbraw/zinc/51/66/94/582516694.db2.gz MINBEIPLVHEEBC-UWVGGRQHSA-N 1 1 195.262 1.543 10 0 ADAEMO C=CCCCC(=O)N1CC[NH+](C)CC1 147381223 582516722 /nfs/dbraw/zinc/51/67/22/582516722.db2.gz DKZNSAYLUIVRFZ-UHFFFAOYSA-N 1 1 196.294 1.117 10 0 ADAEMO Cc1coc(C[N@@H+](C)CCCO)c1 894664127 582516881 /nfs/dbraw/zinc/51/68/81/582516881.db2.gz VKIXSJXIECZFOJ-UHFFFAOYSA-N 1 1 183.251 1.402 10 0 ADAEMO COc1ccc(C[NH2+][C@@H](C)CF)nc1 894600671 582516926 /nfs/dbraw/zinc/51/69/26/582516926.db2.gz KJFWMPJZHUSVCJ-QMMMGPOBSA-N 1 1 198.241 1.538 10 0 ADAEMO Cc1n[nH]c(C[NH2+]CCF)c1C 894650300 582516985 /nfs/dbraw/zinc/51/69/85/582516985.db2.gz SVFCJRWLPBBJNO-UHFFFAOYSA-N 1 1 171.219 1.086 10 0 ADAEMO Cc1ccnc(N)c1C[NH2+]CCF 894650322 582517047 /nfs/dbraw/zinc/51/70/47/582517047.db2.gz TVKSPOXIORHPSB-UHFFFAOYSA-N 1 1 183.230 1.031 10 0 ADAEMO Cc1ncoc1C[N@H+]1[C@@H](C)C[C@H]1C 894600211 582517123 /nfs/dbraw/zinc/51/71/23/582517123.db2.gz GCGSGKXBIRDCAX-OCAPTIKFSA-N 1 1 180.251 1.966 10 0 ADAEMO Cc1coc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1 894538816 582517157 /nfs/dbraw/zinc/51/71/57/582517157.db2.gz MINBEIPLVHEEBC-NXEZZACHSA-N 1 1 195.262 1.543 10 0 ADAEMO Cc1coc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1 894538819 582517312 /nfs/dbraw/zinc/51/73/12/582517312.db2.gz MINBEIPLVHEEBC-ZJUUUORDSA-N 1 1 195.262 1.543 10 0 ADAEMO FC[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 880238946 582517633 /nfs/dbraw/zinc/51/76/33/582517633.db2.gz ZZWHXWDAYISBBB-VIFPVBQESA-N 1 1 197.257 1.591 10 0 ADAEMO Cc1coc(C[N@H+](C)[C@H](C)CO)c1 894770151 582517713 /nfs/dbraw/zinc/51/77/13/582517713.db2.gz LWBZAPGHGMJCEC-SECBINFHSA-N 1 1 183.251 1.401 10 0 ADAEMO FC[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 880236989 582517881 /nfs/dbraw/zinc/51/78/81/582517881.db2.gz NMXTZHMXUZDQRL-ZJUUUORDSA-N 1 1 187.258 1.457 10 0 ADAEMO FC[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 880238945 582517931 /nfs/dbraw/zinc/51/79/31/582517931.db2.gz ZZWHXWDAYISBBB-SECBINFHSA-N 1 1 197.257 1.591 10 0 ADAEMO Cc1coc(C[N@H+](C)[C@@H](C)CO)c1 894770393 582517956 /nfs/dbraw/zinc/51/79/56/582517956.db2.gz LWBZAPGHGMJCEC-VIFPVBQESA-N 1 1 183.251 1.401 10 0 ADAEMO FC[C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 880236988 582518008 /nfs/dbraw/zinc/51/80/08/582518008.db2.gz NMXTZHMXUZDQRL-VHSXEESVSA-N 1 1 187.258 1.457 10 0 ADAEMO FC[C@@H]1CCC[N@H+]([C@H]2CCOC2)C1 880236987 582518055 /nfs/dbraw/zinc/51/80/55/582518055.db2.gz NMXTZHMXUZDQRL-UWVGGRQHSA-N 1 1 187.258 1.457 10 0 ADAEMO FC[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 880236986 582518077 /nfs/dbraw/zinc/51/80/77/582518077.db2.gz NMXTZHMXUZDQRL-NXEZZACHSA-N 1 1 187.258 1.457 10 0 ADAEMO CC[N@@H+](Cc1cc(C)co1)[C@H](C)CO 894827499 582518282 /nfs/dbraw/zinc/51/82/82/582518282.db2.gz DCALSOXSVHDNJC-SNVBAGLBSA-N 1 1 197.278 1.791 10 0 ADAEMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)nn1 894860742 582518880 /nfs/dbraw/zinc/51/88/80/582518880.db2.gz ZGQLAWKHGMKQOJ-WCBMZHEXSA-N 1 1 191.278 1.625 10 0 ADAEMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)nn1 894860740 582518906 /nfs/dbraw/zinc/51/89/06/582518906.db2.gz ZGQLAWKHGMKQOJ-PSASIEDQSA-N 1 1 191.278 1.625 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2cnccn2)[C@H]1C 894860710 582518914 /nfs/dbraw/zinc/51/89/14/582518914.db2.gz XOGJRPPKLKAORA-IUCAKERBSA-N 1 1 177.251 1.317 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1cc(C)co1 894858199 582518984 /nfs/dbraw/zinc/51/89/84/582518984.db2.gz XEJJJXWXLTYBID-SNVBAGLBSA-N 1 1 195.262 1.809 10 0 ADAEMO COC[C@H]1CC[N@@H+]1Cc1ocnc1C 894858236 582519091 /nfs/dbraw/zinc/51/90/91/582519091.db2.gz ZAVPCFLQMLUQNF-SECBINFHSA-N 1 1 196.250 1.204 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1ocnc1C 894858236 582519093 /nfs/dbraw/zinc/51/90/93/582519093.db2.gz ZAVPCFLQMLUQNF-SECBINFHSA-N 1 1 196.250 1.204 10 0 ADAEMO CO[C@]1(C[N@H+]2C[C@H](C)[C@H]2C)CCOC1 894860693 582519144 /nfs/dbraw/zinc/51/91/44/582519144.db2.gz WWAWWEKZHSKTQA-AXFHLTTASA-N 1 1 199.294 1.132 10 0 ADAEMO CO[C@]1(C[N@H+]2C[C@@H](C)[C@@H]2C)CCOC1 894860696 582519220 /nfs/dbraw/zinc/51/92/20/582519220.db2.gz WWAWWEKZHSKTQA-VWYCJHECSA-N 1 1 199.294 1.132 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2cnccn2)[C@@H]1C 894860709 582519240 /nfs/dbraw/zinc/51/92/40/582519240.db2.gz XOGJRPPKLKAORA-DTWKUNHWSA-N 1 1 177.251 1.317 10 0 ADAEMO CO[C@]1(C[N@H+]2C[C@H](C)[C@@H]2C)CCOC1 894860694 582519323 /nfs/dbraw/zinc/51/93/23/582519323.db2.gz WWAWWEKZHSKTQA-DCAQKATOSA-N 1 1 199.294 1.132 10 0 ADAEMO CO[C@]1(C[N@H+]2C[C@@H](C)[C@H]2C)CCOC1 894860695 582519333 /nfs/dbraw/zinc/51/93/33/582519333.db2.gz WWAWWEKZHSKTQA-MXWKQRLJSA-N 1 1 199.294 1.132 10 0 ADAEMO Cc1ncoc1C[NH2+][C@@H](C)CF 894855126 582519346 /nfs/dbraw/zinc/51/93/46/582519346.db2.gz NACLVNYPBCUDSW-LURJTMIESA-N 1 1 172.203 1.431 10 0 ADAEMO C[C@@H]1C[N@@H+](Cc2cnccn2)[C@@H]1C 894860711 582519351 /nfs/dbraw/zinc/51/93/51/582519351.db2.gz XOGJRPPKLKAORA-RKDXNWHRSA-N 1 1 177.251 1.317 10 0 ADAEMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)nn1 894860741 582519359 /nfs/dbraw/zinc/51/93/59/582519359.db2.gz ZGQLAWKHGMKQOJ-SCZZXKLOSA-N 1 1 191.278 1.625 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1cc(C)co1 894858198 582519375 /nfs/dbraw/zinc/51/93/75/582519375.db2.gz XEJJJXWXLTYBID-JTQLQIEISA-N 1 1 195.262 1.809 10 0 ADAEMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)nn1 894860743 582519395 /nfs/dbraw/zinc/51/93/95/582519395.db2.gz ZGQLAWKHGMKQOJ-WPRPVWTQSA-N 1 1 191.278 1.625 10 0 ADAEMO COC[C@@H]1CC[N@@H+]1Cc1ocnc1C 894858237 582519414 /nfs/dbraw/zinc/51/94/14/582519414.db2.gz ZAVPCFLQMLUQNF-VIFPVBQESA-N 1 1 196.250 1.204 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1ocnc1C 894858237 582519416 /nfs/dbraw/zinc/51/94/16/582519416.db2.gz ZAVPCFLQMLUQNF-VIFPVBQESA-N 1 1 196.250 1.204 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)[C@@H]1C 894862589 582519452 /nfs/dbraw/zinc/51/94/52/582519452.db2.gz ZRRQQJCMUKIAOG-DTWKUNHWSA-N 1 1 192.262 1.627 10 0 ADAEMO Cc1n[nH]c(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1C 894862463 582519477 /nfs/dbraw/zinc/51/94/77/582519477.db2.gz YXSKDBORILDPCS-XCBNKYQSSA-N 1 1 193.294 1.867 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1C 894861349 582519541 /nfs/dbraw/zinc/51/95/41/582519541.db2.gz FVAOSJMZQQNMGY-IUCAKERBSA-N 1 1 193.294 1.569 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@H](C)[C@H]2C)o1 894862242 582519554 /nfs/dbraw/zinc/51/95/54/582519554.db2.gz VMRYKXJHYSXCTL-JGVFFNPUSA-N 1 1 180.251 1.823 10 0 ADAEMO CCn1cncc1C[N@H+]1C[C@H](C)[C@@H]1C 894861454 582519605 /nfs/dbraw/zinc/51/96/05/582519605.db2.gz HLKFIJLHTLCVGY-UWVGGRQHSA-N 1 1 193.294 1.743 10 0 ADAEMO C[C@@H](CO)C[N@H+]1CCCC[C@@H](C)C1 306526169 582519624 /nfs/dbraw/zinc/51/96/24/582519624.db2.gz SXIQDYOVFBPPRL-GHMZBOCLSA-N 1 1 185.311 1.737 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@H](C)[C@@H]2C)o1 894862244 582519635 /nfs/dbraw/zinc/51/96/35/582519635.db2.gz VMRYKXJHYSXCTL-YUMQZZPRSA-N 1 1 180.251 1.823 10 0 ADAEMO Cc1n[nH]c(C[N@@H+]2C[C@H](C)[C@H]2C)c1C 894862462 582519647 /nfs/dbraw/zinc/51/96/47/582519647.db2.gz YXSKDBORILDPCS-OIBJUYFYSA-N 1 1 193.294 1.867 10 0 ADAEMO COC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 306623472 582519659 /nfs/dbraw/zinc/51/96/59/582519659.db2.gz DTNJWEXWMKCWCS-GUBZILKMSA-N 1 1 189.274 1.701 10 0 ADAEMO CC(C)C[N@H+]1C[C@H](O)CC[C@H]1C 306531182 582519686 /nfs/dbraw/zinc/51/96/86/582519686.db2.gz ICHMGGAUIDMFLZ-NXEZZACHSA-N 1 1 171.284 1.488 10 0 ADAEMO CCn1cncc1C[N@H+]1C[C@H](C)[C@H]1C 894861455 582519703 /nfs/dbraw/zinc/51/97/03/582519703.db2.gz HLKFIJLHTLCVGY-VHSXEESVSA-N 1 1 193.294 1.743 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccc(=O)[nH]c1 894862588 582519715 /nfs/dbraw/zinc/51/97/15/582519715.db2.gz ZRRQQJCMUKIAOG-BDAKNGLRSA-N 1 1 192.262 1.627 10 0 ADAEMO Cc1c[nH]c(C[N@H+]2C[C@H](C)[C@H]2C)n1 894862432 582519723 /nfs/dbraw/zinc/51/97/23/582519723.db2.gz YCZOTXNCORGZFV-IONNQARKSA-N 1 1 179.267 1.558 10 0 ADAEMO Cc1c[nH]c(C[N@@H+]2C[C@H](C)[C@H]2C)n1 894862432 582519725 /nfs/dbraw/zinc/51/97/25/582519725.db2.gz YCZOTXNCORGZFV-IONNQARKSA-N 1 1 179.267 1.558 10 0 ADAEMO C[C@@H]1C[N@@H+](CCC[C@@H]2CCO2)[C@@H]1C 894861668 582519759 /nfs/dbraw/zinc/51/97/59/582519759.db2.gz LPVYABADNHIGFL-GMTAPVOTSA-N 1 1 183.295 1.896 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@@H]2C)o1 894862243 582519782 /nfs/dbraw/zinc/51/97/82/582519782.db2.gz VMRYKXJHYSXCTL-SFYZADRCSA-N 1 1 180.251 1.823 10 0 ADAEMO C[C@@H]1C[N@@H+](CCC[C@H]2CCO2)[C@@H]1C 894861669 582519789 /nfs/dbraw/zinc/51/97/89/582519789.db2.gz LPVYABADNHIGFL-MXWKQRLJSA-N 1 1 183.295 1.896 10 0 ADAEMO Cc1n[nH]c(C[N@@H+]2C[C@H](C)[C@@H]2C)c1C 894862464 582519807 /nfs/dbraw/zinc/51/98/07/582519807.db2.gz YXSKDBORILDPCS-XVKPBYJWSA-N 1 1 193.294 1.867 10 0 ADAEMO Cc1c[nH]c(C[N@H+]2C[C@H](C)[C@@H]2C)n1 894862431 582519829 /nfs/dbraw/zinc/51/98/29/582519829.db2.gz YCZOTXNCORGZFV-CBAPKCEASA-N 1 1 179.267 1.558 10 0 ADAEMO Cc1c[nH]c(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 894862431 582519832 /nfs/dbraw/zinc/51/98/32/582519832.db2.gz YCZOTXNCORGZFV-CBAPKCEASA-N 1 1 179.267 1.558 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1C 894861350 582519880 /nfs/dbraw/zinc/51/98/80/582519880.db2.gz FVAOSJMZQQNMGY-RKDXNWHRSA-N 1 1 193.294 1.569 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1CCC[C@@H]1CCO1 894861670 582519903 /nfs/dbraw/zinc/51/99/03/582519903.db2.gz LPVYABADNHIGFL-OUAUKWLOSA-N 1 1 183.295 1.896 10 0 ADAEMO CCn1cncc1C[N@H+]1C[C@@H](C)[C@@H]1C 894861456 582519915 /nfs/dbraw/zinc/51/99/15/582519915.db2.gz HLKFIJLHTLCVGY-ZJUUUORDSA-N 1 1 193.294 1.743 10 0 ADAEMO Cc1n[nH]c(C[N@@H+]2C[C@@H](C)[C@H]2C)c1C 894862461 582519939 /nfs/dbraw/zinc/51/99/39/582519939.db2.gz YXSKDBORILDPCS-GMSGAONNSA-N 1 1 193.294 1.867 10 0 ADAEMO Cc1c[nH]c(C[N@H+]2C[C@@H](C)[C@H]2C)n1 894862433 582519962 /nfs/dbraw/zinc/51/99/62/582519962.db2.gz YCZOTXNCORGZFV-VXNVDRBHSA-N 1 1 179.267 1.558 10 0 ADAEMO Cc1c[nH]c(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 894862433 582519963 /nfs/dbraw/zinc/51/99/63/582519963.db2.gz YCZOTXNCORGZFV-VXNVDRBHSA-N 1 1 179.267 1.558 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1C 894861347 582519975 /nfs/dbraw/zinc/51/99/75/582519975.db2.gz FVAOSJMZQQNMGY-BDAKNGLRSA-N 1 1 193.294 1.569 10 0 ADAEMO Cc1c[nH]c(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 894862430 582519980 /nfs/dbraw/zinc/51/99/80/582519980.db2.gz YCZOTXNCORGZFV-APPZFPTMSA-N 1 1 179.267 1.558 10 0 ADAEMO Cc1c[nH]c(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 894862430 582519981 /nfs/dbraw/zinc/51/99/81/582519981.db2.gz YCZOTXNCORGZFV-APPZFPTMSA-N 1 1 179.267 1.558 10 0 ADAEMO C[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)[C@@H]1C 894862591 582519985 /nfs/dbraw/zinc/51/99/85/582519985.db2.gz ZRRQQJCMUKIAOG-RKDXNWHRSA-N 1 1 192.262 1.627 10 0 ADAEMO CC[N@@H+](Cc1cc(C)co1)[C@@H](C)CO 894862517 582519988 /nfs/dbraw/zinc/51/99/88/582519988.db2.gz DCALSOXSVHDNJC-JTQLQIEISA-N 1 1 197.278 1.791 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@H](C)[C@H]2C)n1C 894861348 582519992 /nfs/dbraw/zinc/51/99/92/582519992.db2.gz FVAOSJMZQQNMGY-DTWKUNHWSA-N 1 1 193.294 1.569 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1CCC[C@H]1CCO1 894861671 582520002 /nfs/dbraw/zinc/52/00/02/582520002.db2.gz LPVYABADNHIGFL-VWYCJHECSA-N 1 1 183.295 1.896 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)[C@H]1C 894862590 582520009 /nfs/dbraw/zinc/52/00/09/582520009.db2.gz ZRRQQJCMUKIAOG-IUCAKERBSA-N 1 1 192.262 1.627 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H]2C)o1 894862241 582520017 /nfs/dbraw/zinc/52/00/17/582520017.db2.gz VMRYKXJHYSXCTL-HTQZYQBOSA-N 1 1 180.251 1.823 10 0 ADAEMO CCn1cncc1C[N@H+]1C[C@@H](C)[C@H]1C 894861453 582520074 /nfs/dbraw/zinc/52/00/74/582520074.db2.gz HLKFIJLHTLCVGY-NXEZZACHSA-N 1 1 193.294 1.743 10 0 ADAEMO CC[C@@H](CO)[N@@H+](C)Cc1cc(C)co1 894870973 582520248 /nfs/dbraw/zinc/52/02/48/582520248.db2.gz QYEOORHHJKCFOO-JTQLQIEISA-N 1 1 197.278 1.791 10 0 ADAEMO CC1(C)COC[C@H]1[NH2+]C(CF)CF 894872150 582520596 /nfs/dbraw/zinc/52/05/96/582520596.db2.gz FSRGYNDCDLVTOW-MRVPVSSYSA-N 1 1 193.237 1.309 10 0 ADAEMO CC1(C)COC[C@@H]1[NH2+]C(CF)CF 894872172 582520704 /nfs/dbraw/zinc/52/07/04/582520704.db2.gz FSRGYNDCDLVTOW-QMMMGPOBSA-N 1 1 193.237 1.309 10 0 ADAEMO CC[C@H](CO)[N@@H+](C)Cc1cc(C)co1 894870974 582520742 /nfs/dbraw/zinc/52/07/42/582520742.db2.gz QYEOORHHJKCFOO-SNVBAGLBSA-N 1 1 197.278 1.791 10 0 ADAEMO OC[C@@H]1C=CC[N@H+]1CCC1CCCC1 880486508 582521402 /nfs/dbraw/zinc/52/14/02/582521402.db2.gz OHVSWBYVWULYBF-LBPRGKRZSA-N 1 1 195.306 1.799 10 0 ADAEMO c1ncc(C[N@H+]2CC[C@@H]2C2CC2)[nH]1 894883418 582521446 /nfs/dbraw/zinc/52/14/46/582521446.db2.gz WHERVDQLBNRKRN-SNVBAGLBSA-N 1 1 177.251 1.394 10 0 ADAEMO c1nc(C[N@@H+]2CC[C@@H]2C2CC2)c[nH]1 894883418 582521448 /nfs/dbraw/zinc/52/14/48/582521448.db2.gz WHERVDQLBNRKRN-SNVBAGLBSA-N 1 1 177.251 1.394 10 0 ADAEMO c1nc(C[N@H+]2CC[C@@H]2C2CC2)c[nH]1 894883418 582521450 /nfs/dbraw/zinc/52/14/50/582521450.db2.gz WHERVDQLBNRKRN-SNVBAGLBSA-N 1 1 177.251 1.394 10 0 ADAEMO Cc1ncoc1C[N@H+]1CC[C@H]1C1CC1 894883421 582521461 /nfs/dbraw/zinc/52/14/61/582521461.db2.gz WKJQOZFIYLIJCZ-JTQLQIEISA-N 1 1 192.262 1.967 10 0 ADAEMO CC(C)OCCC[N@H+]1CC=C[C@H]1CO 880487654 582521506 /nfs/dbraw/zinc/52/15/06/582521506.db2.gz XPIFVDOEQWJQOW-NSHDSACASA-N 1 1 199.294 1.034 10 0 ADAEMO c1ncc(C[N@H+]2CC[C@H]2C2CC2)[nH]1 894883416 582521521 /nfs/dbraw/zinc/52/15/21/582521521.db2.gz WHERVDQLBNRKRN-JTQLQIEISA-N 1 1 177.251 1.394 10 0 ADAEMO c1nc(C[N@@H+]2CC[C@H]2C2CC2)c[nH]1 894883416 582521523 /nfs/dbraw/zinc/52/15/23/582521523.db2.gz WHERVDQLBNRKRN-JTQLQIEISA-N 1 1 177.251 1.394 10 0 ADAEMO c1nc(C[N@H+]2CC[C@H]2C2CC2)c[nH]1 894883416 582521525 /nfs/dbraw/zinc/52/15/25/582521525.db2.gz WHERVDQLBNRKRN-JTQLQIEISA-N 1 1 177.251 1.394 10 0 ADAEMO Cc1ncoc1C[N@H+]1CC[C@@H]1C1CC1 894883422 582521535 /nfs/dbraw/zinc/52/15/35/582521535.db2.gz WKJQOZFIYLIJCZ-SNVBAGLBSA-N 1 1 192.262 1.967 10 0 ADAEMO OC[C@@H]1C=CC[N@H+]1CC1CC=CC1 880494518 582521555 /nfs/dbraw/zinc/52/15/55/582521555.db2.gz OYHXHVFBBVRERJ-NSHDSACASA-N 1 1 179.263 1.185 10 0 ADAEMO OC[C@H]1C=CC[N@H+]1CC1CC=CC1 880494517 582521559 /nfs/dbraw/zinc/52/15/59/582521559.db2.gz OYHXHVFBBVRERJ-LLVKDONJSA-N 1 1 179.263 1.185 10 0 ADAEMO CC(C)(C)C1C[NH+](Cc2c[nH]cn2)C1 894980666 582522190 /nfs/dbraw/zinc/52/21/90/582522190.db2.gz VTCZYYIXONHIMX-UHFFFAOYSA-N 1 1 193.294 1.888 10 0 ADAEMO Cc1coc(C[NH+]2CC(C)(CO)C2)c1 894980243 582522406 /nfs/dbraw/zinc/52/24/06/582522406.db2.gz LVWGLXJOPMNUGE-UHFFFAOYSA-N 1 1 195.262 1.402 10 0 ADAEMO Cc1coc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1 894916784 582522443 /nfs/dbraw/zinc/52/24/43/582522443.db2.gz JKJGNJGPRSTSPV-MWLCHTKSSA-N 1 1 195.262 1.543 10 0 ADAEMO CCc1cc(N2CC(C)C2)nc(C)[nH+]1 334581977 582523453 /nfs/dbraw/zinc/52/34/53/582523453.db2.gz KUCNAICXPWSOCM-UHFFFAOYSA-N 1 1 191.278 1.804 10 0 ADAEMO c1nc(C[NH+]2CC(CC3CC3)C2)c[nH]1 895375391 582528094 /nfs/dbraw/zinc/52/80/94/582528094.db2.gz AKTLJLYBFAUJOU-UHFFFAOYSA-N 1 1 191.278 1.642 10 0 ADAEMO Cc1ncc(C[N@H+]2CC[C@@H](CF)C2)o1 895568679 582529205 /nfs/dbraw/zinc/52/92/05/582529205.db2.gz PHGKJOGMEGVORB-VIFPVBQESA-N 1 1 198.241 1.774 10 0 ADAEMO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)N(C)C 335188425 582524309 /nfs/dbraw/zinc/52/43/09/582524309.db2.gz GRLSCRDGHXMSRJ-SECBINFHSA-N 1 1 198.310 1.195 10 0 ADAEMO CCC[N@@H+](C)C1(CN)CCCCC1 20226870 582525144 /nfs/dbraw/zinc/52/51/44/582525144.db2.gz BEPUABYCWLUBHO-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO c1nc(C[NH2+][C@H]2[C@H]3CCC[C@H]32)c[nH]1 895311578 582526498 /nfs/dbraw/zinc/52/64/98/582526498.db2.gz BOTRBTCBPHEEBU-ILWJIGKKSA-N 1 1 177.251 1.298 10 0 ADAEMO Cc1nnc(C[N@H+]2CCCC2(C)C)[nH]1 335893922 582526943 /nfs/dbraw/zinc/52/69/43/582526943.db2.gz UTWAKZPQTHSKHN-UHFFFAOYSA-N 1 1 194.282 1.488 10 0 ADAEMO Cc1ncoc1C[NH2+]CC(C)(C)F 895416351 582527766 /nfs/dbraw/zinc/52/77/66/582527766.db2.gz UYKYERWXLAFQSE-UHFFFAOYSA-N 1 1 186.230 1.821 10 0 ADAEMO Cc1n[nH]c(C[N@@H+]2C[C@H]3C[C@H]3C2)c1C 895389767 582527778 /nfs/dbraw/zinc/52/77/78/582527778.db2.gz QDPBLPHFPABFLL-AOOOYVTPSA-N 1 1 191.278 1.478 10 0 ADAEMO Cc1coc(C[N@H+](C)C2(CO)CC2)c1 895353845 582527805 /nfs/dbraw/zinc/52/78/05/582527805.db2.gz KIIDHOHELAHOAQ-UHFFFAOYSA-N 1 1 195.262 1.545 10 0 ADAEMO CC(C)(F)C[NH2+]Cc1cnc[nH]1 895415057 582528142 /nfs/dbraw/zinc/52/81/42/582528142.db2.gz JRBWCTRPQDUTFA-UHFFFAOYSA-N 1 1 171.219 1.247 10 0 ADAEMO Cc1c[nH]nc1C[NH2+]CC1CSC1 895422320 582528682 /nfs/dbraw/zinc/52/86/82/582528682.db2.gz ZDJXLDHCPNYVTF-UHFFFAOYSA-N 1 1 197.307 1.171 10 0 ADAEMO Cc1ncc(C[N@H+]2CC[C@H](CF)C2)o1 895568678 582528907 /nfs/dbraw/zinc/52/89/07/582528907.db2.gz PHGKJOGMEGVORB-SECBINFHSA-N 1 1 198.241 1.774 10 0 ADAEMO FC[C@@H]1CC[N@@H+](Cc2cncnc2)C1 895574936 582528920 /nfs/dbraw/zinc/52/89/20/582528920.db2.gz QPPPOCKWCOGDGM-VIFPVBQESA-N 1 1 195.241 1.268 10 0 ADAEMO FC[C@H]1CC[N@@H+](Cc2cncnc2)C1 895574934 582528932 /nfs/dbraw/zinc/52/89/32/582528932.db2.gz QPPPOCKWCOGDGM-SECBINFHSA-N 1 1 195.241 1.268 10 0 ADAEMO COC[C@@H](C)C[N@H+]1CC[C@H](CF)C1 895572530 582529016 /nfs/dbraw/zinc/52/90/16/582529016.db2.gz IFFWSGDAZWESBN-VHSXEESVSA-N 1 1 189.274 1.560 10 0 ADAEMO FC[C@H]1CC[N@@H+](CC2(F)CC2)C1 895574055 582529073 /nfs/dbraw/zinc/52/90/73/582529073.db2.gz UPNBCYSLFVGCQV-MRVPVSSYSA-N 1 1 175.222 1.780 10 0 ADAEMO FC[C@H]1CC[N@H+](Cc2cocn2)C1 895572236 582529188 /nfs/dbraw/zinc/52/91/88/582529188.db2.gz FPLMAGKHOOHVGF-MRVPVSSYSA-N 1 1 184.214 1.466 10 0 ADAEMO FC[C@H]1CC[N@@H+](Cc2cocn2)C1 895572236 582529189 /nfs/dbraw/zinc/52/91/89/582529189.db2.gz FPLMAGKHOOHVGF-MRVPVSSYSA-N 1 1 184.214 1.466 10 0 ADAEMO COC[C@H](C)C[N@H+]1CC[C@H](CF)C1 895572528 582529201 /nfs/dbraw/zinc/52/92/01/582529201.db2.gz IFFWSGDAZWESBN-NXEZZACHSA-N 1 1 189.274 1.560 10 0 ADAEMO COC[C@H](C)C[N@H+]1CC[C@@H](CF)C1 895572531 582529211 /nfs/dbraw/zinc/52/92/11/582529211.db2.gz IFFWSGDAZWESBN-ZJUUUORDSA-N 1 1 189.274 1.560 10 0 ADAEMO FC[C@@H]1CC[N@H+](Cc2cocn2)C1 895572237 582529214 /nfs/dbraw/zinc/52/92/14/582529214.db2.gz FPLMAGKHOOHVGF-QMMMGPOBSA-N 1 1 184.214 1.466 10 0 ADAEMO FC[C@@H]1CC[N@@H+](Cc2cocn2)C1 895572237 582529216 /nfs/dbraw/zinc/52/92/16/582529216.db2.gz FPLMAGKHOOHVGF-QMMMGPOBSA-N 1 1 184.214 1.466 10 0 ADAEMO COC[C@@H](C)C[N@H+]1CC[C@@H](CF)C1 895572529 582529285 /nfs/dbraw/zinc/52/92/85/582529285.db2.gz IFFWSGDAZWESBN-UWVGGRQHSA-N 1 1 189.274 1.560 10 0 ADAEMO FC[C@@H]1CC[N@@H+](CC2(F)CC2)C1 895574057 582529318 /nfs/dbraw/zinc/52/93/18/582529318.db2.gz UPNBCYSLFVGCQV-QMMMGPOBSA-N 1 1 175.222 1.780 10 0 ADAEMO FC[C@@H]1CCC[N@H+](Cc2cocn2)C1 895543876 582529329 /nfs/dbraw/zinc/52/93/29/582529329.db2.gz FPUPYCHKZWUNEI-VIFPVBQESA-N 1 1 198.241 1.856 10 0 ADAEMO FC[C@@H]1CCC[N@@H+](Cc2cocn2)C1 895543876 582529330 /nfs/dbraw/zinc/52/93/30/582529330.db2.gz FPUPYCHKZWUNEI-VIFPVBQESA-N 1 1 198.241 1.856 10 0 ADAEMO FC[C@H]1CCC[N@H+](Cc2cocn2)C1 895543875 582529360 /nfs/dbraw/zinc/52/93/60/582529360.db2.gz FPUPYCHKZWUNEI-SECBINFHSA-N 1 1 198.241 1.856 10 0 ADAEMO FC[C@H]1CCC[N@@H+](Cc2cocn2)C1 895543875 582529363 /nfs/dbraw/zinc/52/93/63/582529363.db2.gz FPUPYCHKZWUNEI-SECBINFHSA-N 1 1 198.241 1.856 10 0 ADAEMO Cc1coc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 895644899 582529514 /nfs/dbraw/zinc/52/95/14/582529514.db2.gz HVBKAQYPFDWLJK-MWLCHTKSSA-N 1 1 193.246 1.155 10 0 ADAEMO CC1(C[N@H+]2C[C@H]3C[C@@]3(O)C2)CCCC1 895644677 582529517 /nfs/dbraw/zinc/52/95/17/582529517.db2.gz DLEHTUQYBAAMHD-ZYHUDNBSSA-N 1 1 195.306 1.633 10 0 ADAEMO CC1(C[N@H+]2C[C@@H]3C[C@]3(O)C2)CCCC1 895644675 582529519 /nfs/dbraw/zinc/52/95/19/582529519.db2.gz DLEHTUQYBAAMHD-JQWIXIFHSA-N 1 1 195.306 1.633 10 0 ADAEMO Cc1coc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 895644900 582529533 /nfs/dbraw/zinc/52/95/33/582529533.db2.gz HVBKAQYPFDWLJK-ONGXEEELSA-N 1 1 193.246 1.155 10 0 ADAEMO O[C@@H]1CC[C@@H]2C[N@@H+](CC3(F)CC3)C[C@@H]21 895781334 582530708 /nfs/dbraw/zinc/53/07/08/582530708.db2.gz PKEJVIPUYCWJGX-KXUCPTDWSA-N 1 1 199.269 1.191 10 0 ADAEMO C[N@@H+](CCCF)CC1(F)CC1 895896418 582531428 /nfs/dbraw/zinc/53/14/28/582531428.db2.gz UJHGRFNQOJEMDK-UHFFFAOYSA-N 1 1 163.211 1.780 10 0 ADAEMO Cc1ncc(C[N@@H+](C)CCCF)o1 895896665 582531438 /nfs/dbraw/zinc/53/14/38/582531438.db2.gz YKQOFLXTILBBKQ-UHFFFAOYSA-N 1 1 186.230 1.774 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ccco2)CCO1 896583486 582533953 /nfs/dbraw/zinc/53/39/53/582533953.db2.gz CKGATYBLMLWKFK-JTQLQIEISA-N 1 1 195.262 1.890 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2(F)CC2)CCO1 896585628 582534017 /nfs/dbraw/zinc/53/40/17/582534017.db2.gz TWORZUQLFOQKKE-VIFPVBQESA-N 1 1 187.258 1.599 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2ccco2)CCO1 896583487 582534179 /nfs/dbraw/zinc/53/41/79/582534179.db2.gz CKGATYBLMLWKFK-SNVBAGLBSA-N 1 1 195.262 1.890 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ccoc2)CCO1 896584302 582534185 /nfs/dbraw/zinc/53/41/85/582534185.db2.gz MHSACQXGHQRGTF-JTQLQIEISA-N 1 1 195.262 1.890 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2ccoc2)CCO1 896584303 582534254 /nfs/dbraw/zinc/53/42/54/582534254.db2.gz MHSACQXGHQRGTF-SNVBAGLBSA-N 1 1 195.262 1.890 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2(F)CC2)CCO1 896585626 582534299 /nfs/dbraw/zinc/53/42/99/582534299.db2.gz TWORZUQLFOQKKE-SECBINFHSA-N 1 1 187.258 1.599 10 0 ADAEMO FC1(C[N@@H+]2CCn3cccc3C2)CC1 896761964 582535169 /nfs/dbraw/zinc/53/51/69/582535169.db2.gz XJBZCYKDNKWBGG-UHFFFAOYSA-N 1 1 194.253 1.806 10 0 ADAEMO FC1(C[N@H+]2CCn3cccc3C2)CC1 896761964 582535170 /nfs/dbraw/zinc/53/51/70/582535170.db2.gz XJBZCYKDNKWBGG-UHFFFAOYSA-N 1 1 194.253 1.806 10 0 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CDIKDHJFLWTEJR-UHFFFAOYSA-N 1 1 195.266 1.606 10 0 ADAEMO CC[N@H+]1CC[C@@H](C(C)(C)O)C1 148109810 582547628 /nfs/dbraw/zinc/54/76/28/582547628.db2.gz QKYQKJHFUUNIBY-MRVPVSSYSA-N 1 1 157.257 1.099 10 0 ADAEMO C[C@H]1C[C@H](C)N1C(=O)[C@H]1CCC[N@H+]1C 897612742 582548654 /nfs/dbraw/zinc/54/86/54/582548654.db2.gz FOBANQOCPKZFSW-LPEHRKFASA-N 1 1 196.294 1.090 10 0 ADAEMO CCCCCCN1CC[C@H]([NH3+])[C@@H]1C 148741951 582549077 /nfs/dbraw/zinc/54/90/77/582549077.db2.gz OGIQZLBPKRNYDK-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCCCCC[N@@H+]1CC[C@H](N)[C@@H]1C 148741951 582549078 /nfs/dbraw/zinc/54/90/78/582549078.db2.gz OGIQZLBPKRNYDK-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCCCCC[N@H+]1CC[C@H](N)[C@@H]1C 148741951 582549079 /nfs/dbraw/zinc/54/90/79/582549079.db2.gz OGIQZLBPKRNYDK-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@H]1C[C@H](C)N1C(=O)[C@@H]1CCC[N@H+]1C 897612741 582549095 /nfs/dbraw/zinc/54/90/95/582549095.db2.gz FOBANQOCPKZFSW-GUBZILKMSA-N 1 1 196.294 1.090 10 0 ADAEMO c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)[nH]n1 897951896 582549406 /nfs/dbraw/zinc/54/94/06/582549406.db2.gz AWCRRLPTNRRHHB-FBIMIBRVSA-N 1 1 191.278 1.688 10 0 ADAEMO c1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]32)[nH]n1 897951897 582549458 /nfs/dbraw/zinc/54/94/58/582549458.db2.gz AWCRRLPTNRRHHB-INTQDDNPSA-N 1 1 191.278 1.688 10 0 ADAEMO c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)[nH]n1 897951892 582549507 /nfs/dbraw/zinc/54/95/07/582549507.db2.gz AWCRRLPTNRRHHB-DVVUODLYSA-N 1 1 191.278 1.688 10 0 ADAEMO c1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]32)[nH]n1 897951899 582549574 /nfs/dbraw/zinc/54/95/74/582549574.db2.gz AWCRRLPTNRRHHB-JMJZKYOTSA-N 1 1 191.278 1.688 10 0 ADAEMO Cc1nc(C[N@@H+](C)C2CCC2)co1 585158472 582551583 /nfs/dbraw/zinc/55/15/83/582551583.db2.gz AXMCKFJBQAOQHV-UHFFFAOYSA-N 1 1 180.251 1.967 10 0 ADAEMO Cc1nc(C[N@H+](C)C2CCC2)co1 585158472 582551585 /nfs/dbraw/zinc/55/15/85/582551585.db2.gz AXMCKFJBQAOQHV-UHFFFAOYSA-N 1 1 180.251 1.967 10 0 ADAEMO CC(C)C[C@@H](C)[NH2+]C[C@H](N)C(C)C 379369648 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902993615 582619717 /nfs/dbraw/zinc/61/97/17/582619717.db2.gz WDWKWGDCLWFSGG-BDAKNGLRSA-N 1 1 173.231 1.209 10 0 ADAEMO F[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 902993634 582619727 /nfs/dbraw/zinc/61/97/27/582619727.db2.gz WDWKWGDCLWFSGG-IUCAKERBSA-N 1 1 173.231 1.209 10 0 ADAEMO COCCCC[N@H+]1CCC[C@H](F)C1 902991863 582619977 /nfs/dbraw/zinc/61/99/77/582619977.db2.gz DBELVRCSQKNCLJ-JTQLQIEISA-N 1 1 189.274 1.847 10 0 ADAEMO F[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 902993633 582620110 /nfs/dbraw/zinc/62/01/10/582620110.db2.gz WDWKWGDCLWFSGG-DTWKUNHWSA-N 1 1 173.231 1.209 10 0 ADAEMO FC(F)OCC[N@@H+]1CCC[C@@H](F)C1 902991171 582620210 /nfs/dbraw/zinc/62/02/10/582620210.db2.gz LCIWRFVXTALCHR-SSDOTTSWSA-N 1 1 197.200 1.660 10 0 ADAEMO FC(F)OCC[N@H+]1CCC[C@@H](F)C1 902991171 582620212 /nfs/dbraw/zinc/62/02/12/582620212.db2.gz LCIWRFVXTALCHR-SSDOTTSWSA-N 1 1 197.200 1.660 10 0 ADAEMO FC(F)OCC[N@@H+]1CCC[C@H](F)C1 902991187 582620503 /nfs/dbraw/zinc/62/05/03/582620503.db2.gz LCIWRFVXTALCHR-ZETCQYMHSA-N 1 1 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196.338 1.979 10 0 ADAEMO CC/C=C/CCN1CC[N@@H+](C)[C@H](C)C1 767329534 582830779 /nfs/dbraw/zinc/83/07/79/582830779.db2.gz AHVWLATUEWKCKP-BTDICHCPSA-N 1 1 196.338 1.979 10 0 ADAEMO CC/C=C\CC[N@H+](CC)CC(=O)OC 767314765 582830918 /nfs/dbraw/zinc/83/09/18/582830918.db2.gz ZEIWXLXZQPNTCI-SREVYHEPSA-N 1 1 199.294 1.838 10 0 ADAEMO CC/C=C\CC[N@@H+](CC)CC(=O)OC 767314765 582830922 /nfs/dbraw/zinc/83/09/22/582830922.db2.gz ZEIWXLXZQPNTCI-SREVYHEPSA-N 1 1 199.294 1.838 10 0 ADAEMO CC/C=C\CC[N@H+]1CCN(C)[C@H](C)C1 767329536 582830990 /nfs/dbraw/zinc/83/09/90/582830990.db2.gz AHVWLATUEWKCKP-FOQNGQEVSA-N 1 1 196.338 1.979 10 0 ADAEMO CC/C=C\CCN1CC[N@H+](C)[C@H](C)C1 767329536 582830993 /nfs/dbraw/zinc/83/09/93/582830993.db2.gz AHVWLATUEWKCKP-FOQNGQEVSA-N 1 1 196.338 1.979 10 0 ADAEMO CC/C=C\CCN1CC[N@@H+](C)[C@H](C)C1 767329536 582830995 /nfs/dbraw/zinc/83/09/95/582830995.db2.gz AHVWLATUEWKCKP-FOQNGQEVSA-N 1 1 196.338 1.979 10 0 ADAEMO C[C@H](c1cnccn1)[N@H+]1CC[C@H]2C[C@H]21 767333360 582831011 /nfs/dbraw/zinc/83/10/11/582831011.db2.gz SMSVIUZHAHIUQB-WCABBAIRSA-N 1 1 189.262 1.632 10 0 ADAEMO C[C@@H]1C[N@H+](CCC(=O)C2CC2)CCO1 767345676 582831106 /nfs/dbraw/zinc/83/11/06/582831106.db2.gz CMVXOASUHZDGIZ-SECBINFHSA-N 1 1 197.278 1.076 10 0 ADAEMO C[C@@H]1C[N@@H+](CCC(=O)C2CC2)CCO1 767345676 582831109 /nfs/dbraw/zinc/83/11/09/582831109.db2.gz CMVXOASUHZDGIZ-SECBINFHSA-N 1 1 197.278 1.076 10 0 ADAEMO CC/C=C/CC[N@H+]1CCN(C)[C@@H](C)C1 767329537 582831324 /nfs/dbraw/zinc/83/13/24/582831324.db2.gz AHVWLATUEWKCKP-FYJFLYSWSA-N 1 1 196.338 1.979 10 0 ADAEMO CC/C=C/CCN1CC[N@H+](C)[C@@H](C)C1 767329537 582831327 /nfs/dbraw/zinc/83/13/27/582831327.db2.gz AHVWLATUEWKCKP-FYJFLYSWSA-N 1 1 196.338 1.979 10 0 ADAEMO CC/C=C/CCN1CC[N@@H+](C)[C@@H](C)C1 767329537 582831330 /nfs/dbraw/zinc/83/13/30/582831330.db2.gz AHVWLATUEWKCKP-FYJFLYSWSA-N 1 1 196.338 1.979 10 0 ADAEMO CC/C=C\CC[N@H+]1CCN(C)[C@@H](C)C1 767329535 582831450 /nfs/dbraw/zinc/83/14/50/582831450.db2.gz AHVWLATUEWKCKP-FJOGCWAESA-N 1 1 196.338 1.979 10 0 ADAEMO CC/C=C\CCN1CC[N@H+](C)[C@@H](C)C1 767329535 582831452 /nfs/dbraw/zinc/83/14/52/582831452.db2.gz AHVWLATUEWKCKP-FJOGCWAESA-N 1 1 196.338 1.979 10 0 ADAEMO CC/C=C\CCN1CC[N@@H+](C)[C@@H](C)C1 767329535 582831456 /nfs/dbraw/zinc/83/14/56/582831456.db2.gz AHVWLATUEWKCKP-FJOGCWAESA-N 1 1 196.338 1.979 10 0 ADAEMO C[C@@H]1C[N@H+](CCC(=O)C2CC2)C[C@@H]1C 767410999 582831711 /nfs/dbraw/zinc/83/17/11/582831711.db2.gz IFEUAQMXQNQKAG-AOOOYVTPSA-N 1 1 195.306 1.943 10 0 ADAEMO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@@H]21 767590520 582832509 /nfs/dbraw/zinc/83/25/09/582832509.db2.gz SCTITTGGYIMNHF-UTUOFQBUSA-N 1 1 194.322 1.565 10 0 ADAEMO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@@H]21 767590520 582832511 /nfs/dbraw/zinc/83/25/11/582832511.db2.gz SCTITTGGYIMNHF-UTUOFQBUSA-N 1 1 194.322 1.565 10 0 ADAEMO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2C[C@H]21 767590512 582832696 /nfs/dbraw/zinc/83/26/96/582832696.db2.gz SCTITTGGYIMNHF-QJPTWQEYSA-N 1 1 194.322 1.565 10 0 ADAEMO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2C[C@H]21 767590512 582832698 /nfs/dbraw/zinc/83/26/98/582832698.db2.gz SCTITTGGYIMNHF-QJPTWQEYSA-N 1 1 194.322 1.565 10 0 ADAEMO Cc1cc(C[N@@H+]2CCC2(C)C)nn1C 767900028 582833134 /nfs/dbraw/zinc/83/31/34/582833134.db2.gz NPLGLFMUZYDFOM-UHFFFAOYSA-N 1 1 193.294 1.713 10 0 ADAEMO Cc1cc(C[N@H+]2CCC2(C)C)nn1C 767900028 582833136 /nfs/dbraw/zinc/83/31/36/582833136.db2.gz NPLGLFMUZYDFOM-UHFFFAOYSA-N 1 1 193.294 1.713 10 0 ADAEMO CO[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 768753036 582835672 /nfs/dbraw/zinc/83/56/72/582835672.db2.gz JWGIOEIPHJPKQX-LLVKDONJSA-N 1 1 195.262 1.890 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+](C)Cc1cncnc1 768269503 582834311 /nfs/dbraw/zinc/83/43/11/582834311.db2.gz PVARHJXRDSNSBQ-SNVBAGLBSA-N 1 1 193.294 1.953 10 0 ADAEMO COCC[N@@H+](Cc1ccoc1)C1CC1 768333532 582834767 /nfs/dbraw/zinc/83/47/67/582834767.db2.gz CSTCSTVRAKQIJX-UHFFFAOYSA-N 1 1 195.262 1.890 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)Cc1cncnc1 768419936 582834811 /nfs/dbraw/zinc/83/48/11/582834811.db2.gz AHBSWMQGUYRCRU-SECBINFHSA-N 1 1 191.278 1.707 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+](C)Cc1cncnc1 768419937 582834921 /nfs/dbraw/zinc/83/49/21/582834921.db2.gz AHBSWMQGUYRCRU-VIFPVBQESA-N 1 1 191.278 1.707 10 0 ADAEMO CCC[N@@H+](Cc1cncnc1)C1CC1 768290273 582834982 /nfs/dbraw/zinc/83/49/82/582834982.db2.gz FFTSZKQSANIPCG-UHFFFAOYSA-N 1 1 191.278 1.851 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)Cc1cncnc1 768269502 582834992 /nfs/dbraw/zinc/83/49/92/582834992.db2.gz PVARHJXRDSNSBQ-JTQLQIEISA-N 1 1 193.294 1.953 10 0 ADAEMO CC[N@H+](Cc1cncnc1)CC(C)C 768334173 582835012 /nfs/dbraw/zinc/83/50/12/582835012.db2.gz ANYVQVCOFKSAQL-UHFFFAOYSA-N 1 1 193.294 1.955 10 0 ADAEMO CC(C)CC[N@@H+](C)Cc1cncnc1 768262990 582835065 /nfs/dbraw/zinc/83/50/65/582835065.db2.gz NEKXUIHVMKVABU-UHFFFAOYSA-N 1 1 193.294 1.955 10 0 ADAEMO CC[C@@H](C)C[N@@H+](C)Cc1cncnc1 768770175 582835753 /nfs/dbraw/zinc/83/57/53/582835753.db2.gz SLZKAPWYIMQNFQ-SNVBAGLBSA-N 1 1 193.294 1.955 10 0 ADAEMO CC[C@H](C)C[N@@H+](C)Cc1cncnc1 768770173 582835942 /nfs/dbraw/zinc/83/59/42/582835942.db2.gz SLZKAPWYIMQNFQ-JTQLQIEISA-N 1 1 193.294 1.955 10 0 ADAEMO CO[C@H]1CCC[N@@H+](Cc2ccoc2)C1 768753037 582836024 /nfs/dbraw/zinc/83/60/24/582836024.db2.gz JWGIOEIPHJPKQX-NSHDSACASA-N 1 1 195.262 1.890 10 0 ADAEMO CC(C)[N@@H+](Cc1cncnc1)C1CC1 768521463 582836144 /nfs/dbraw/zinc/83/61/44/582836144.db2.gz ZSBQJBNENVCYJZ-UHFFFAOYSA-N 1 1 191.278 1.849 10 0 ADAEMO C[N@@H+](Cc1cncnc1)CC(C)(C)C 768937112 582836967 /nfs/dbraw/zinc/83/69/67/582836967.db2.gz LFQINUZEQVIKFA-UHFFFAOYSA-N 1 1 193.294 1.955 10 0 ADAEMO COC[C@H]1CC[N@@H+](Cc2ccoc2)C1 769397333 582838667 /nfs/dbraw/zinc/83/86/67/582838667.db2.gz CSZINACRXORLIH-JTQLQIEISA-N 1 1 195.262 1.748 10 0 ADAEMO CC[N@H+](Cc1cncnc1)CC1CC1 769404832 582839089 /nfs/dbraw/zinc/83/90/89/582839089.db2.gz QMUJPXBTOSODNC-UHFFFAOYSA-N 1 1 191.278 1.709 10 0 ADAEMO CC1(C)CC[N@H+]1Cc1ccc(CO)o1 769445106 582839201 /nfs/dbraw/zinc/83/92/01/582839201.db2.gz CBGCZCVKCNVBCB-UHFFFAOYSA-N 1 1 195.262 1.756 10 0 ADAEMO COC[C@@H]1CC[N@@H+](Cc2ccoc2)C1 769397338 582839389 /nfs/dbraw/zinc/83/93/89/582839389.db2.gz CSZINACRXORLIH-SNVBAGLBSA-N 1 1 195.262 1.748 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2ccoc2)CCCO1 769318782 582839434 /nfs/dbraw/zinc/83/94/34/582839434.db2.gz MAJGLVOWZIFQEF-JTQLQIEISA-N 1 1 195.262 1.890 10 0 ADAEMO C[C@@H]1C[N@@H+](Cc2ccoc2)CCCO1 769318783 582839440 /nfs/dbraw/zinc/83/94/40/582839440.db2.gz MAJGLVOWZIFQEF-SNVBAGLBSA-N 1 1 195.262 1.890 10 0 ADAEMO Cc1nn(C)cc1C[N@H+]1CCC1(C)C 769445737 582839446 /nfs/dbraw/zinc/83/94/46/582839446.db2.gz IOVUADUQZLXLCP-UHFFFAOYSA-N 1 1 193.294 1.713 10 0 ADAEMO CCn1cc(C[N@H+]2CCC2(C)C)cn1 769445025 582839524 /nfs/dbraw/zinc/83/95/24/582839524.db2.gz BFXGZNHHOVCNKW-UHFFFAOYSA-N 1 1 193.294 1.887 10 0 ADAEMO CCn1nccc1C[N@H+]1CCC1(C)C 769447412 582839993 /nfs/dbraw/zinc/83/99/93/582839993.db2.gz ZAWFDKPUGBLKRQ-UHFFFAOYSA-N 1 1 193.294 1.887 10 0 ADAEMO Cn1ccc(C[N@@H+]2CCC2(C)C)n1 769446361 582840089 /nfs/dbraw/zinc/84/00/89/582840089.db2.gz MFZAMKVJAHQAMW-UHFFFAOYSA-N 1 1 179.267 1.404 10 0 ADAEMO Cn1ccc(C[N@H+]2CCC2(C)C)n1 769446361 582840090 /nfs/dbraw/zinc/84/00/90/582840090.db2.gz MFZAMKVJAHQAMW-UHFFFAOYSA-N 1 1 179.267 1.404 10 0 ADAEMO CC[N@@H+](CCC(C)=O)C[C@@H]1CCOC1 771795808 582846836 /nfs/dbraw/zinc/84/68/36/582846836.db2.gz SMMIRPNYNKPOHW-NSHDSACASA-N 1 1 199.294 1.324 10 0 ADAEMO CC[N@@H+](CCC(C)=O)C[C@H]1CCOC1 771795806 582846967 /nfs/dbraw/zinc/84/69/67/582846967.db2.gz SMMIRPNYNKPOHW-LLVKDONJSA-N 1 1 199.294 1.324 10 0 ADAEMO CC(=O)CC[N@@H+](CCCCO)C1CC1 772779331 582850857 /nfs/dbraw/zinc/85/08/57/582850857.db2.gz YBEDZIGGIKYFBA-UHFFFAOYSA-N 1 1 199.294 1.202 10 0 ADAEMO Cn1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 776003950 582864346 /nfs/dbraw/zinc/86/43/46/582864346.db2.gz YTZVUIYGTSJOCB-SCZZXKLOSA-N 1 1 177.251 1.014 10 0 ADAEMO Cn1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 776003950 582864348 /nfs/dbraw/zinc/86/43/48/582864348.db2.gz YTZVUIYGTSJOCB-SCZZXKLOSA-N 1 1 177.251 1.014 10 0 ADAEMO CC[N@@H+](CC(=O)NC)CC1(C)CCC1 774834757 582859902 /nfs/dbraw/zinc/85/99/02/582859902.db2.gz HUZGIQBQDIIWJC-UHFFFAOYSA-N 1 1 198.310 1.245 10 0 ADAEMO Cn1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 776003954 582864394 /nfs/dbraw/zinc/86/43/94/582864394.db2.gz YTZVUIYGTSJOCB-WCBMZHEXSA-N 1 1 177.251 1.014 10 0 ADAEMO Cn1ccc(C[N@H+]2CC[C@H]3C[C@H]32)n1 776003954 582864396 /nfs/dbraw/zinc/86/43/96/582864396.db2.gz YTZVUIYGTSJOCB-WCBMZHEXSA-N 1 1 177.251 1.014 10 0 ADAEMO C[N@@H+](C[C@H]1CCC=CO1)[C@@H]1CCOC1 774878612 582860890 /nfs/dbraw/zinc/86/08/90/582860890.db2.gz UIQGMHDPHORPLV-GHMZBOCLSA-N 1 1 197.278 1.400 10 0 ADAEMO CC1(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CCC1 775096410 582861047 /nfs/dbraw/zinc/86/10/47/582861047.db2.gz AXRGWSBNDADFSZ-CMPLNLGQSA-N 1 1 195.306 1.491 10 0 ADAEMO C[N@@H+](C[C@@H]1CCC=CO1)[C@H]1CCOC1 774878614 582861253 /nfs/dbraw/zinc/86/12/53/582861253.db2.gz UIQGMHDPHORPLV-QWRGUYRKSA-N 1 1 197.278 1.400 10 0 ADAEMO C[N@@H+](CCCCO)C[C@H]1CCC=CO1 775102612 582861571 /nfs/dbraw/zinc/86/15/71/582861571.db2.gz RYIWOIQILNRBSD-LLVKDONJSA-N 1 1 199.294 1.383 10 0 ADAEMO c1n[nH]cc1C[N@H+]1CCCC12CCC2 775183347 582861758 /nfs/dbraw/zinc/86/17/58/582861758.db2.gz KLDFBBBBBIIKRE-UHFFFAOYSA-N 1 1 191.278 1.928 10 0 ADAEMO C=Cn1cc(C[N@@H+]2CCC2(C)C)cn1 774886003 582861782 /nfs/dbraw/zinc/86/17/82/582861782.db2.gz UQWIQTDZBVQWKB-UHFFFAOYSA-N 1 1 191.278 1.968 10 0 ADAEMO C[N@@H+](CCCCO)C[C@@H]1CCC=CO1 775102613 582861843 /nfs/dbraw/zinc/86/18/43/582861843.db2.gz RYIWOIQILNRBSD-NSHDSACASA-N 1 1 199.294 1.383 10 0 ADAEMO C[N@@H+](C[C@H]1CCC=CO1)[C@H]1CCOC1 774878615 582861951 /nfs/dbraw/zinc/86/19/51/582861951.db2.gz UIQGMHDPHORPLV-WDEREUQCSA-N 1 1 197.278 1.400 10 0 ADAEMO C[N@@H+](C[C@@H]1CCC=CO1)[C@@H]1CCOC1 774878613 582861956 /nfs/dbraw/zinc/86/19/56/582861956.db2.gz UIQGMHDPHORPLV-MNOVXSKESA-N 1 1 197.278 1.400 10 0 ADAEMO CC1(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CCC1 775096415 582861974 /nfs/dbraw/zinc/86/19/74/582861974.db2.gz AXRGWSBNDADFSZ-PWSUYJOCSA-N 1 1 195.306 1.491 10 0 ADAEMO COCC1=CC[N@@H+](CCC(C)=O)CC1 775827011 582862901 /nfs/dbraw/zinc/86/29/01/582862901.db2.gz QANRIHPBDXLAAV-UHFFFAOYSA-N 1 1 197.278 1.244 10 0 ADAEMO C[C@@H]1CCOCC[N@H+]1C[C@@H]1CCOC1 775567162 582863077 /nfs/dbraw/zinc/86/30/77/582863077.db2.gz HSKLZQDCLZLYCR-MNOVXSKESA-N 1 1 199.294 1.134 10 0 ADAEMO C[C@@H]1CCOCC[N@H+]1C[C@H]1CCOC1 775567161 582863096 /nfs/dbraw/zinc/86/30/96/582863096.db2.gz HSKLZQDCLZLYCR-GHMZBOCLSA-N 1 1 199.294 1.134 10 0 ADAEMO C[C@H]1CCOCC[N@H+]1C[C@H]1CCOC1 775567164 582863241 /nfs/dbraw/zinc/86/32/41/582863241.db2.gz HSKLZQDCLZLYCR-WDEREUQCSA-N 1 1 199.294 1.134 10 0 ADAEMO C[C@H]1CCOCC[N@@H+]1Cc1ccno1 775568100 582863262 /nfs/dbraw/zinc/86/32/62/582863262.db2.gz PYMNGSYRIRQMQQ-VIFPVBQESA-N 1 1 196.250 1.285 10 0 ADAEMO C[C@H]1CCOCC[N@H+]1Cc1ccno1 775568100 582863263 /nfs/dbraw/zinc/86/32/63/582863263.db2.gz PYMNGSYRIRQMQQ-VIFPVBQESA-N 1 1 196.250 1.285 10 0 ADAEMO C[C@@H]1CCOCC[N@H+]1C[C@@H]1CCCO1 775569186 582863293 /nfs/dbraw/zinc/86/32/93/582863293.db2.gz UVCUBBLGZMMZBL-MNOVXSKESA-N 1 1 199.294 1.276 10 0 ADAEMO C[C@H]1CCOCC[N@H+]1CC1(C)COC1 775567580 582863438 /nfs/dbraw/zinc/86/34/38/582863438.db2.gz ZPYLWVXWJIJQAL-JTQLQIEISA-N 1 1 199.294 1.134 10 0 ADAEMO C[C@@H]1CCOCC[N@@H+]1Cc1ccno1 775568099 582863528 /nfs/dbraw/zinc/86/35/28/582863528.db2.gz PYMNGSYRIRQMQQ-SECBINFHSA-N 1 1 196.250 1.285 10 0 ADAEMO C[C@@H]1CCOCC[N@H+]1Cc1ccno1 775568099 582863529 /nfs/dbraw/zinc/86/35/29/582863529.db2.gz PYMNGSYRIRQMQQ-SECBINFHSA-N 1 1 196.250 1.285 10 0 ADAEMO C[C@H]1CCOCC[N@H+]1C[C@@H]1CCCO1 775569187 582863587 /nfs/dbraw/zinc/86/35/87/582863587.db2.gz UVCUBBLGZMMZBL-QWRGUYRKSA-N 1 1 199.294 1.276 10 0 ADAEMO C[C@@H]1CCOCC[N@H+]1C[C@H]1CCCO1 775569185 582863642 /nfs/dbraw/zinc/86/36/42/582863642.db2.gz UVCUBBLGZMMZBL-GHMZBOCLSA-N 1 1 199.294 1.276 10 0 ADAEMO C[C@H]1CCOCC[N@H+]1C[C@H]1CCCO1 775569188 582863755 /nfs/dbraw/zinc/86/37/55/582863755.db2.gz UVCUBBLGZMMZBL-WDEREUQCSA-N 1 1 199.294 1.276 10 0 ADAEMO C[C@@H]1CCOCC[N@H+]1CC1(C)COC1 775567581 582863812 /nfs/dbraw/zinc/86/38/12/582863812.db2.gz ZPYLWVXWJIJQAL-SNVBAGLBSA-N 1 1 199.294 1.134 10 0 ADAEMO C[C@H]1CCOCC[N@H+]1C[C@@H]1CCOC1 775567163 582863831 /nfs/dbraw/zinc/86/38/31/582863831.db2.gz HSKLZQDCLZLYCR-QWRGUYRKSA-N 1 1 199.294 1.134 10 0 ADAEMO c1cn(CCC[N@H+]2CC[C@@H]3C[C@@H]32)cn1 776002751 582864474 /nfs/dbraw/zinc/86/44/74/582864474.db2.gz UJIADVGXHQXRJR-MNOVXSKESA-N 1 1 191.278 1.367 10 0 ADAEMO c1cn(CCC[N@H+]2CC[C@H]3C[C@H]32)cn1 776002754 582864550 /nfs/dbraw/zinc/86/45/50/582864550.db2.gz UJIADVGXHQXRJR-WDEREUQCSA-N 1 1 191.278 1.367 10 0 ADAEMO CC(C)COC(=O)C[N@H+](C)CC1CC1 776577892 582865967 /nfs/dbraw/zinc/86/59/67/582865967.db2.gz ADPQZSTYQWZIQZ-UHFFFAOYSA-N 1 1 199.294 1.527 10 0 ADAEMO CC(C)COC(=O)C[N@@H+](C)CC1CC1 776577892 582865969 /nfs/dbraw/zinc/86/59/69/582865969.db2.gz ADPQZSTYQWZIQZ-UHFFFAOYSA-N 1 1 199.294 1.527 10 0 ADAEMO C[C@@H]1CCC[N@@H+](Cn2cnnc2)CC1 776757851 582866548 /nfs/dbraw/zinc/86/65/48/582866548.db2.gz ATVFHXGGTBPFBN-SNVBAGLBSA-N 1 1 194.282 1.358 10 0 ADAEMO CC[C@@]1(C)CC[N@@H+](Cn2cnnc2)C1 776763133 582866552 /nfs/dbraw/zinc/86/65/52/582866552.db2.gz GZWKCPLXZMVNKU-JTQLQIEISA-N 1 1 194.282 1.358 10 0 ADAEMO CC[C@]1(C)CC[N@@H+](Cn2cnnc2)C1 776763135 582866603 /nfs/dbraw/zinc/86/66/03/582866603.db2.gz GZWKCPLXZMVNKU-SNVBAGLBSA-N 1 1 194.282 1.358 10 0 ADAEMO C[C@H]1CCC[N@@H+](Cn2cnnc2)CC1 776757850 582866647 /nfs/dbraw/zinc/86/66/47/582866647.db2.gz ATVFHXGGTBPFBN-JTQLQIEISA-N 1 1 194.282 1.358 10 0 ADAEMO C[C@@H]1CCCCC[N@H+]1Cn1cnnc1 776760495 582866742 /nfs/dbraw/zinc/86/67/42/582866742.db2.gz RDXUIGCRMRKUSR-SNVBAGLBSA-N 1 1 194.282 1.500 10 0 ADAEMO C[C@H]1CCCCC[N@H+]1Cn1cnnc1 776760494 582866752 /nfs/dbraw/zinc/86/67/52/582866752.db2.gz RDXUIGCRMRKUSR-JTQLQIEISA-N 1 1 194.282 1.500 10 0 ADAEMO CC(C)[C@@H]1CC[N@@H+](Cn2cnnc2)C1 776762510 582866947 /nfs/dbraw/zinc/86/69/47/582866947.db2.gz BERFZGSPQNTTSL-SNVBAGLBSA-N 1 1 194.282 1.214 10 0 ADAEMO CC(C)[C@H]1CC[N@@H+](Cn2cnnc2)C1 776762509 582866973 /nfs/dbraw/zinc/86/69/73/582866973.db2.gz BERFZGSPQNTTSL-JTQLQIEISA-N 1 1 194.282 1.214 10 0 ADAEMO CCCC[N@@H+](Cn1cnnc1)C1CC1 776756867 582867057 /nfs/dbraw/zinc/86/70/57/582867057.db2.gz FMENYGLSJIHZJC-UHFFFAOYSA-N 1 1 194.282 1.500 10 0 ADAEMO CC(C)[N@@H+](CC1CC1)Cn1cnnc1 776756873 582867074 /nfs/dbraw/zinc/86/70/74/582867074.db2.gz FPWPARSIRNHDNA-UHFFFAOYSA-N 1 1 194.282 1.356 10 0 ADAEMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 777774421 582867950 /nfs/dbraw/zinc/86/79/50/582867950.db2.gz BSKMGVGZCGXURL-WPRPVWTQSA-N 1 1 197.278 1.280 10 0 ADAEMO C[C@H](C1CC1)[NH+]1CCC(N(C)C)CC1 777781635 582867976 /nfs/dbraw/zinc/86/79/76/582867976.db2.gz ZNLGWSNCHJIVBR-SNVBAGLBSA-N 1 1 196.338 1.811 10 0 ADAEMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 777774418 582868260 /nfs/dbraw/zinc/86/82/60/582868260.db2.gz BSKMGVGZCGXURL-PSASIEDQSA-N 1 1 197.278 1.280 10 0 ADAEMO C[C@@H](C1CC1)[NH+]1CCC(N(C)C)CC1 777781634 582868325 /nfs/dbraw/zinc/86/83/25/582868325.db2.gz ZNLGWSNCHJIVBR-JTQLQIEISA-N 1 1 196.338 1.811 10 0 ADAEMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 777774420 582868392 /nfs/dbraw/zinc/86/83/92/582868392.db2.gz BSKMGVGZCGXURL-WCBMZHEXSA-N 1 1 197.278 1.280 10 0 ADAEMO COC(=O)[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 777774419 582868452 /nfs/dbraw/zinc/86/84/52/582868452.db2.gz BSKMGVGZCGXURL-SCZZXKLOSA-N 1 1 197.278 1.280 10 0 ADAEMO FCCC[N@H+]1CCC[C@H]1c1ncc[nH]1 778228001 582868568 /nfs/dbraw/zinc/86/85/68/582868568.db2.gz FGPLCKQNKFLQCB-VIFPVBQESA-N 1 1 197.257 1.906 10 0 ADAEMO FCCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 778227928 582868616 /nfs/dbraw/zinc/86/86/16/582868616.db2.gz FGPLCKQNKFLQCB-SECBINFHSA-N 1 1 197.257 1.906 10 0 ADAEMO CC(=O)CC[N@@H+](CC(C)(C)O)C1CC1 778218628 582869179 /nfs/dbraw/zinc/86/91/79/582869179.db2.gz UDHGOEKDXAMSED-UHFFFAOYSA-N 1 1 199.294 1.201 10 0 ADAEMO CCCC(N)=[NH+]OCc1ccn(C)n1 778592476 582871135 /nfs/dbraw/zinc/87/11/35/582871135.db2.gz LBNKDLALQAKKGZ-UHFFFAOYSA-N 1 1 196.254 1.219 10 0 ADAEMO O=C1OCC[C@@H]1CC[N@@H+]1CC=CCC1 778970704 582871516 /nfs/dbraw/zinc/87/15/16/582871516.db2.gz FMLPLNQJTUZEKX-JTQLQIEISA-N 1 1 195.262 1.202 10 0 ADAEMO C1=CC[N@@H+](CCC2OCCCO2)CC1 778965612 582872263 /nfs/dbraw/zinc/87/22/63/582872263.db2.gz DCIHOMLNOBAUCD-UHFFFAOYSA-N 1 1 197.278 1.401 10 0 ADAEMO OC1(C[N@@H+]2CC=CCC2)CCCCC1 778969564 582872297 /nfs/dbraw/zinc/87/22/97/582872297.db2.gz OKTGJZGOFSLBPT-UHFFFAOYSA-N 1 1 195.306 1.944 10 0 ADAEMO O=C1OCC[C@H]1CC[N@@H+]1CC=CCC1 778970705 582872373 /nfs/dbraw/zinc/87/23/73/582872373.db2.gz FMLPLNQJTUZEKX-SNVBAGLBSA-N 1 1 195.262 1.202 10 0 ADAEMO CC(C)CC[N@H+]1CCCN(C=O)CC1 781555264 582880846 /nfs/dbraw/zinc/88/08/46/582880846.db2.gz DOXXFVFIBOGEMY-UHFFFAOYSA-N 1 1 198.310 1.197 10 0 ADAEMO CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C1CC1 782184853 582883066 /nfs/dbraw/zinc/88/30/66/582883066.db2.gz GNLQEGRCVYGEOD-BDAKNGLRSA-N 1 1 198.310 1.099 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCC[C@H](CCO)C1 782183596 582883214 /nfs/dbraw/zinc/88/32/14/582883214.db2.gz MWFJATMXWYGWKC-WDEREUQCSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCC[C@H](N(C)C)C1 782182925 582883219 /nfs/dbraw/zinc/88/32/19/582883219.db2.gz GYBRJJUMTLYBNF-JQWIXIFHSA-N 1 1 196.338 1.811 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CC[C@@]2(CCOC2)C1 782191584 582883282 /nfs/dbraw/zinc/88/32/82/582883282.db2.gz XRTNFOOSBXHFIV-ZYHUDNBSSA-N 1 1 195.306 1.897 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCC[C@@H](N(C)C)C1 782182924 582883307 /nfs/dbraw/zinc/88/33/07/582883307.db2.gz GYBRJJUMTLYBNF-CMPLNLGQSA-N 1 1 196.338 1.811 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCC[C@H](N(C)C)C1 782182926 582883311 /nfs/dbraw/zinc/88/33/11/582883311.db2.gz GYBRJJUMTLYBNF-PWSUYJOCSA-N 1 1 196.338 1.811 10 0 ADAEMO C[C@H](O)[C@@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 782191308 582883394 /nfs/dbraw/zinc/88/33/94/582883394.db2.gz NYEYQHUBLCCYMA-JBLDHEPKSA-N 1 1 197.322 1.878 10 0 ADAEMO C[C@H](O)[C@@H]1CCC[N@H+]([C@H](C)C2CC2)C1 782191309 582883422 /nfs/dbraw/zinc/88/34/22/582883422.db2.gz NYEYQHUBLCCYMA-JFGNBEQYSA-N 1 1 197.322 1.878 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCC[C@@H](CCO)C1 782183595 582883521 /nfs/dbraw/zinc/88/35/21/582883521.db2.gz MWFJATMXWYGWKC-QWRGUYRKSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CC[C@@]2(CCOC2)C1 782191581 582883574 /nfs/dbraw/zinc/88/35/74/582883574.db2.gz XRTNFOOSBXHFIV-CMPLNLGQSA-N 1 1 195.306 1.897 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCc2c[nH]nc2C1 782183068 582883621 /nfs/dbraw/zinc/88/36/21/582883621.db2.gz YSEPUWSVXSKVTK-MRVPVSSYSA-N 1 1 191.278 1.566 10 0 ADAEMO C[C@H](C1CC1)[N@@H+]1CCc2cn[nH]c2C1 782183068 582883624 /nfs/dbraw/zinc/88/36/24/582883624.db2.gz YSEPUWSVXSKVTK-MRVPVSSYSA-N 1 1 191.278 1.566 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCc2cn[nH]c2C1 782183068 582883626 /nfs/dbraw/zinc/88/36/26/582883626.db2.gz YSEPUWSVXSKVTK-MRVPVSSYSA-N 1 1 191.278 1.566 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCc2c[nH]nc2C1 782183069 582883642 /nfs/dbraw/zinc/88/36/42/582883642.db2.gz YSEPUWSVXSKVTK-QMMMGPOBSA-N 1 1 191.278 1.566 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+]1CCc2cn[nH]c2C1 782183069 582883644 /nfs/dbraw/zinc/88/36/44/582883644.db2.gz YSEPUWSVXSKVTK-QMMMGPOBSA-N 1 1 191.278 1.566 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCc2cn[nH]c2C1 782183069 582883646 /nfs/dbraw/zinc/88/36/46/582883646.db2.gz YSEPUWSVXSKVTK-QMMMGPOBSA-N 1 1 191.278 1.566 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CC[C@]2(CCOC2)C1 782191583 582883660 /nfs/dbraw/zinc/88/36/60/582883660.db2.gz XRTNFOOSBXHFIV-PWSUYJOCSA-N 1 1 195.306 1.897 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCC[C@@H](CCO)C1 782183594 582883697 /nfs/dbraw/zinc/88/36/97/582883697.db2.gz MWFJATMXWYGWKC-MNOVXSKESA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCC[C@@H](N(C)C)C1 782182927 582883704 /nfs/dbraw/zinc/88/37/04/582883704.db2.gz GYBRJJUMTLYBNF-ZYHUDNBSSA-N 1 1 196.338 1.811 10 0 ADAEMO C[C@H](O)[C@H]1CCC[N@H+]([C@H](C)C2CC2)C1 782191311 582883726 /nfs/dbraw/zinc/88/37/26/582883726.db2.gz NYEYQHUBLCCYMA-SCVCMEIPSA-N 1 1 197.322 1.878 10 0 ADAEMO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C1CC1 782184863 582883745 /nfs/dbraw/zinc/88/37/45/582883745.db2.gz GNLQEGRCVYGEOD-RKDXNWHRSA-N 1 1 198.310 1.099 10 0 ADAEMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C1CC1 782184860 582883783 /nfs/dbraw/zinc/88/37/83/582883783.db2.gz GNLQEGRCVYGEOD-DTWKUNHWSA-N 1 1 198.310 1.099 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CC[C@]2(CCOC2)C1 782191582 582883801 /nfs/dbraw/zinc/88/38/01/582883801.db2.gz XRTNFOOSBXHFIV-JQWIXIFHSA-N 1 1 195.306 1.897 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCC[C@H](CCO)C1 782183593 582883818 /nfs/dbraw/zinc/88/38/18/582883818.db2.gz MWFJATMXWYGWKC-GHMZBOCLSA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 782191310 582883882 /nfs/dbraw/zinc/88/38/82/582883882.db2.gz NYEYQHUBLCCYMA-NHCYSSNCSA-N 1 1 197.322 1.878 10 0 ADAEMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C1CC1 782184861 582883893 /nfs/dbraw/zinc/88/38/93/582883893.db2.gz GNLQEGRCVYGEOD-IUCAKERBSA-N 1 1 198.310 1.099 10 0 ADAEMO CO[C@H](C)C[N@H+]1CC[C@@H]2C[C@@H]21 782487702 582884044 /nfs/dbraw/zinc/88/40/44/582884044.db2.gz YIUSJJKJLBZVPC-HLTSFMKQSA-N 1 1 155.241 1.116 10 0 ADAEMO CC(=O)CC[N@H+]1CCOCC2(CC2)C1 782533517 582884441 /nfs/dbraw/zinc/88/44/41/582884441.db2.gz VVGAXTLSJZWCHG-UHFFFAOYSA-N 1 1 197.278 1.078 10 0 ADAEMO CO[C@H](C)C[N@H+]1CC[C@H]2C[C@H]21 782487703 582884520 /nfs/dbraw/zinc/88/45/20/582884520.db2.gz YIUSJJKJLBZVPC-HRDYMLBCSA-N 1 1 155.241 1.116 10 0 ADAEMO CC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 782628535 582885267 /nfs/dbraw/zinc/88/52/67/582885267.db2.gz ORUWKZCFELMKDU-DCAQKATOSA-N 1 1 199.294 1.463 10 0 ADAEMO OC[C@@]12C[C@@H]1C[N@@H+](CC1CCCC1)C2 782614187 582885290 /nfs/dbraw/zinc/88/52/90/582885290.db2.gz GGYHIIPUKWJVAZ-NEPJUHHUSA-N 1 1 195.306 1.491 10 0 ADAEMO OC[C@]12C[C@H]1C[N@@H+](CC1CCCC1)C2 782614189 582885459 /nfs/dbraw/zinc/88/54/59/582885459.db2.gz GGYHIIPUKWJVAZ-NWDGAFQWSA-N 1 1 195.306 1.491 10 0 ADAEMO CCCCCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 782613977 582885470 /nfs/dbraw/zinc/88/54/70/582885470.db2.gz DWQOMRAVCCABQR-NWDGAFQWSA-N 1 1 197.322 1.881 10 0 ADAEMO CC(=O)CC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C 782628537 582885518 /nfs/dbraw/zinc/88/55/18/582885518.db2.gz ORUWKZCFELMKDU-HBNTYKKESA-N 1 1 199.294 1.463 10 0 ADAEMO CCCCCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 782613974 582885553 /nfs/dbraw/zinc/88/55/53/582885553.db2.gz DWQOMRAVCCABQR-NEPJUHHUSA-N 1 1 197.322 1.881 10 0 ADAEMO CC(=O)CC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 782628536 582885560 /nfs/dbraw/zinc/88/55/60/582885560.db2.gz ORUWKZCFELMKDU-GARJFASQSA-N 1 1 199.294 1.463 10 0 ADAEMO CC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 782628534 582885905 /nfs/dbraw/zinc/88/59/05/582885905.db2.gz ORUWKZCFELMKDU-AXFHLTTASA-N 1 1 199.294 1.463 10 0 ADAEMO CC1(C)CC[N@H+]1CC[C@H]1CCOC1 783572925 582888267 /nfs/dbraw/zinc/88/82/67/582888267.db2.gz NIQDADBPABZPLG-JTQLQIEISA-N 1 1 183.295 1.897 10 0 ADAEMO CC1(C)CC[N@H+]1CC[C@@H]1CCOC1 783572930 582888283 /nfs/dbraw/zinc/88/82/83/582888283.db2.gz NIQDADBPABZPLG-SNVBAGLBSA-N 1 1 183.295 1.897 10 0 ADAEMO CC(C)CCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 783738086 582888641 /nfs/dbraw/zinc/88/86/41/582888641.db2.gz BCCXNSTXGXZFPW-NEPJUHHUSA-N 1 1 197.322 1.737 10 0 ADAEMO OC[C@]12C[C@H]1C[N@@H+](Cc1ccco1)C2 783733491 582888773 /nfs/dbraw/zinc/88/87/73/582888773.db2.gz HYCXXGBGIQPIRK-GXSJLCMTSA-N 1 1 193.246 1.094 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 783744044 582888808 /nfs/dbraw/zinc/88/88/08/582888808.db2.gz SAXTWVYBPINQEJ-TUAOUCFPSA-N 1 1 197.322 1.737 10 0 ADAEMO OC[C@@]12C[C@@H]1C[N@@H+](Cc1ccoc1)C2 783736114 582888845 /nfs/dbraw/zinc/88/88/45/582888845.db2.gz VQPIFIFVDSWFMF-MNOVXSKESA-N 1 1 193.246 1.094 10 0 ADAEMO CCC[C@H](C)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 783744042 582888916 /nfs/dbraw/zinc/88/89/16/582888916.db2.gz SAXTWVYBPINQEJ-SDDRHHMPSA-N 1 1 197.322 1.737 10 0 ADAEMO OC[C@@]12C[C@@H]1C[N@@H+](Cc1ccco1)C2 783733492 582888980 /nfs/dbraw/zinc/88/89/80/582888980.db2.gz HYCXXGBGIQPIRK-KOLCDFICSA-N 1 1 193.246 1.094 10 0 ADAEMO CC(C)CCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 783738088 582889055 /nfs/dbraw/zinc/88/90/55/582889055.db2.gz BCCXNSTXGXZFPW-NWDGAFQWSA-N 1 1 197.322 1.737 10 0 ADAEMO OC[C@]12C[C@H]1C[N@@H+](Cc1ccoc1)C2 783736116 582889114 /nfs/dbraw/zinc/88/91/14/582889114.db2.gz VQPIFIFVDSWFMF-WDEREUQCSA-N 1 1 193.246 1.094 10 0 ADAEMO CC[C@]1(C)C[N@@H+](CCC(C)=O)CCO1 785495859 582893216 /nfs/dbraw/zinc/89/32/16/582893216.db2.gz RRLGBMBNSHYQAW-LLVKDONJSA-N 1 1 199.294 1.466 10 0 ADAEMO CC(C)c1[nH+]ccn1CCC1(O)CC1 785451567 582893226 /nfs/dbraw/zinc/89/32/26/582893226.db2.gz PDGBURHOAOYSEG-UHFFFAOYSA-N 1 1 194.278 1.922 10 0 ADAEMO NC(CC1CC1)=[NH+]OCCC1(O)CC1 785518739 582893500 /nfs/dbraw/zinc/89/35/00/582893500.db2.gz TWKGUDYIQWEWLK-UHFFFAOYSA-N 1 1 198.266 1.200 10 0 ADAEMO CC[C@@]1(C)C[N@@H+](CCC(C)=O)CCO1 785495892 582893522 /nfs/dbraw/zinc/89/35/22/582893522.db2.gz RRLGBMBNSHYQAW-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO Cc1cncc(C[N@H+]2CC[C@H]3C[C@H]32)c1 785478156 582893540 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194.322 1.613 10 0 ADAEMO c1cc([C@H]2C[C@@H]3CC[NH2+]C[C@H]23)[nH]n1 757138967 582943776 /nfs/dbraw/zinc/94/37/76/582943776.db2.gz AXUVYYJSOKHSJB-CIUDSAMLSA-N 1 1 177.251 1.123 10 0 ADAEMO C[C@H]1C[C@H](C)OC2(CC[NH+](C)CC2)N1 757153787 582944474 /nfs/dbraw/zinc/94/44/74/582944474.db2.gz XOOZBFAFGSIHQP-UWVGGRQHSA-N 1 1 198.310 1.195 10 0 ADAEMO C[C@H]1C[C@@H](C)OC2(CC[NH+](C)CC2)N1 757153791 582944677 /nfs/dbraw/zinc/94/46/77/582944677.db2.gz XOOZBFAFGSIHQP-VHSXEESVSA-N 1 1 198.310 1.195 10 0 ADAEMO CC[C@@]1(C)CCO[C@]2(CCCNC2)[NH2+]1 757146863 582944869 /nfs/dbraw/zinc/94/48/69/582944869.db2.gz LLQBJYFIIYPDHK-QWRGUYRKSA-N 1 1 198.310 1.245 10 0 ADAEMO CC[C@]1(C)CCO[C@@]2(CCCNC2)[NH2+]1 757146812 582945061 /nfs/dbraw/zinc/94/50/61/582945061.db2.gz LLQBJYFIIYPDHK-GHMZBOCLSA-N 1 1 198.310 1.245 10 0 ADAEMO C[C@@H]1C[C@@H](C)OC2(CC[NH+](C)CC2)N1 757153786 582945102 /nfs/dbraw/zinc/94/51/02/582945102.db2.gz XOOZBFAFGSIHQP-NXEZZACHSA-N 1 1 198.310 1.195 10 0 ADAEMO CC[C@]1(C)CCO[C@]2(CCCNC2)[NH2+]1 757146843 582945172 /nfs/dbraw/zinc/94/51/72/582945172.db2.gz LLQBJYFIIYPDHK-MNOVXSKESA-N 1 1 198.310 1.245 10 0 ADAEMO CCOC(=O)[C@@H]([NH3+])CC1CC(C)C1 757174613 582948312 /nfs/dbraw/zinc/94/83/12/582948312.db2.gz LLJQHIAHLHTHRW-HACHORDNSA-N 1 1 185.267 1.313 10 0 ADAEMO COC(=O)[C@@H]([NH3+])CCCC1(C)CC1 757174777 582948323 /nfs/dbraw/zinc/94/83/23/582948323.db2.gz DEYNCHUATGAICQ-QMMMGPOBSA-N 1 1 185.267 1.457 10 0 ADAEMO CCOC(=O)[C@H]([NH3+])CC1CC(C)C1 757174612 582948342 /nfs/dbraw/zinc/94/83/42/582948342.db2.gz LLJQHIAHLHTHRW-AMDVSUOASA-N 1 1 185.267 1.313 10 0 ADAEMO COC(=O)[C@H]([NH3+])CCCC1(C)CC1 757174774 582948540 /nfs/dbraw/zinc/94/85/40/582948540.db2.gz DEYNCHUATGAICQ-MRVPVSSYSA-N 1 1 185.267 1.457 10 0 ADAEMO COC(=O)[C@@H]([NH3+])CC(C)(C)C(F)F 757173541 582948709 /nfs/dbraw/zinc/94/87/09/582948709.db2.gz DEWPHGFLTITHDB-YFKPBYRVSA-N 1 1 195.209 1.168 10 0 ADAEMO COC(=O)[C@H]([NH3+])CC(C)(C)C(F)F 757173538 582948905 /nfs/dbraw/zinc/94/89/05/582948905.db2.gz DEWPHGFLTITHDB-RXMQYKEDSA-N 1 1 195.209 1.168 10 0 ADAEMO [NH3+]C[C@H]1CC[C@@H](c2ccsc2)CN1 757208700 582950614 /nfs/dbraw/zinc/95/06/14/582950614.db2.gz APOCIHUUOJDLSO-PSASIEDQSA-N 1 1 196.319 1.542 10 0 ADAEMO [NH3+]C[C@H]1CCCN[C@@H]1c1ccsc1 757209742 582950667 /nfs/dbraw/zinc/95/06/67/582950667.db2.gz CFHMIZFBMPGRFR-SCZZXKLOSA-N 1 1 196.319 1.748 10 0 ADAEMO [NH3+]C[C@H]1CCCN[C@H]1c1ccsc1 757209741 582950685 /nfs/dbraw/zinc/95/06/85/582950685.db2.gz CFHMIZFBMPGRFR-PSASIEDQSA-N 1 1 196.319 1.748 10 0 ADAEMO [NH3+]C[C@@H]1CC[C@H](c2ccsc2)CN1 757208709 582950696 /nfs/dbraw/zinc/95/06/96/582950696.db2.gz APOCIHUUOJDLSO-WPRPVWTQSA-N 1 1 196.319 1.542 10 0 ADAEMO CC(C)C[C@@H]1C[C@@H](C)[C@H](N)C[NH2+]1 757208664 582950757 /nfs/dbraw/zinc/95/07/57/582950757.db2.gz ALPWODVFGJGELF-OPRDCNLKSA-N 1 1 170.300 1.358 10 0 ADAEMO CC(C)C[C@@H]1C[C@@H](C)[C@@H](N)C[NH2+]1 757208657 582950847 /nfs/dbraw/zinc/95/08/47/582950847.db2.gz ALPWODVFGJGELF-BBBLOLIVSA-N 1 1 170.300 1.358 10 0 ADAEMO [NH3+]C[C@H]1C[C@H](c2ccsc2)CCN1 757208718 582950916 /nfs/dbraw/zinc/95/09/16/582950916.db2.gz AUBMEDQVFFQKBF-PSASIEDQSA-N 1 1 196.319 1.542 10 0 ADAEMO [NH3+]C[C@@H]1C[C@H](c2ccsc2)CCN1 757208720 582950965 /nfs/dbraw/zinc/95/09/65/582950965.db2.gz AUBMEDQVFFQKBF-SCZZXKLOSA-N 1 1 196.319 1.542 10 0 ADAEMO Nc1cccc([C@H]2C[C@@H]([NH3+])CCN2)c1 757209885 582950998 /nfs/dbraw/zinc/95/09/98/582950998.db2.gz DJSACONSDNLKQZ-WDEREUQCSA-N 1 1 191.278 1.021 10 0 ADAEMO [NH3+]C[C@H]1CC[C@H](c2ccsc2)CN1 757208707 582951043 /nfs/dbraw/zinc/95/10/43/582951043.db2.gz APOCIHUUOJDLSO-WCBMZHEXSA-N 1 1 196.319 1.542 10 0 ADAEMO [NH3+]C[C@@H]1CC[C@@H](c2ccsc2)CN1 757208706 582951022 /nfs/dbraw/zinc/95/10/22/582951022.db2.gz APOCIHUUOJDLSO-SCZZXKLOSA-N 1 1 196.319 1.542 10 0 ADAEMO [NH3+]C[C@H]1C[C@@H](c2cccs2)CCN1 757210988 582951037 /nfs/dbraw/zinc/95/10/37/582951037.db2.gz FDJXEUQTFYBFOE-DTWKUNHWSA-N 1 1 196.319 1.542 10 0 ADAEMO CC(C)C[C@@H]1C[C@H](C)[C@H](N)C[NH2+]1 757208658 582951094 /nfs/dbraw/zinc/95/10/94/582951094.db2.gz ALPWODVFGJGELF-IVZWLZJFSA-N 1 1 170.300 1.358 10 0 ADAEMO [NH3+]C[C@H]1C[C@H](c2cccs2)CCN1 757210990 582951111 /nfs/dbraw/zinc/95/11/11/582951111.db2.gz FDJXEUQTFYBFOE-RKDXNWHRSA-N 1 1 196.319 1.542 10 0 ADAEMO [NH3+]C[C@@H]1C[C@@H](c2cccs2)CCN1 757210989 582951252 /nfs/dbraw/zinc/95/12/52/582951252.db2.gz FDJXEUQTFYBFOE-IUCAKERBSA-N 1 1 196.319 1.542 10 0 ADAEMO [NH3+]C[C@@H]1C[C@@H](c2ccsc2)CCN1 757208725 582951338 /nfs/dbraw/zinc/95/13/38/582951338.db2.gz AUBMEDQVFFQKBF-WPRPVWTQSA-N 1 1 196.319 1.542 10 0 ADAEMO [NH3+]C[C@@H]1CCCN[C@H]1c1ccsc1 757209744 582951349 /nfs/dbraw/zinc/95/13/49/582951349.db2.gz CFHMIZFBMPGRFR-WCBMZHEXSA-N 1 1 196.319 1.748 10 0 ADAEMO [NH3+]C[C@H]1C[C@@H](c2ccsc2)CCN1 757208723 582951422 /nfs/dbraw/zinc/95/14/22/582951422.db2.gz AUBMEDQVFFQKBF-WCBMZHEXSA-N 1 1 196.319 1.542 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](c2ccsc2)[C@H]1N 757213875 582951625 /nfs/dbraw/zinc/95/16/25/582951625.db2.gz KMYJFVCJMKCRHL-FKTZTGRPSA-N 1 1 196.319 1.746 10 0 ADAEMO CCCC[C@H]1[NH2+]CCC[C@@H]1N 757214343 582951642 /nfs/dbraw/zinc/95/16/42/582951642.db2.gz LZXYDIMTQGFRQC-DTWKUNHWSA-N 1 1 156.273 1.256 10 0 ADAEMO CCCC[C@@H]1[NH2+]CCC[C@H]1N 757214332 582951662 /nfs/dbraw/zinc/95/16/62/582951662.db2.gz LZXYDIMTQGFRQC-BDAKNGLRSA-N 1 1 156.273 1.256 10 0 ADAEMO CCCC[C@@H]1[NH2+][C@@H](C)CC[C@H]1N 757212380 582951696 /nfs/dbraw/zinc/95/16/96/582951696.db2.gz INJHXEZKKQDQBM-AEJSXWLSSA-N 1 1 170.300 1.644 10 0 ADAEMO CCCC[C@@H]1[NH2+]CCC[C@@H]1N 757214349 582951709 /nfs/dbraw/zinc/95/17/09/582951709.db2.gz LZXYDIMTQGFRQC-IUCAKERBSA-N 1 1 156.273 1.256 10 0 ADAEMO CCCC[C@@H]1[NH2+][C@@H](C)CC[C@@H]1N 757212382 582951763 /nfs/dbraw/zinc/95/17/63/582951763.db2.gz INJHXEZKKQDQBM-GUBZILKMSA-N 1 1 170.300 1.644 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](c2ccsc2)[C@@H]1N 757213888 582951781 /nfs/dbraw/zinc/95/17/81/582951781.db2.gz KMYJFVCJMKCRHL-SZEHBUNVSA-N 1 1 196.319 1.746 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@H](c2ccsc2)[C@@H]1N 757213880 582951790 /nfs/dbraw/zinc/95/17/90/582951790.db2.gz KMYJFVCJMKCRHL-QNSHHTMESA-N 1 1 196.319 1.746 10 0 ADAEMO C[C@@H]1CC[C@@H](N)[C@H](c2cccs2)[NH2+]1 757213462 582951826 /nfs/dbraw/zinc/95/18/26/582951826.db2.gz KKRPPYXCLWTUAY-NQMVMOMDSA-N 1 1 196.319 1.888 10 0 ADAEMO C[C@@H]1C[NH2+][C@@H](c2ccsc2)[C@H](N)C1 757215112 582951905 /nfs/dbraw/zinc/95/19/05/582951905.db2.gz MOOWTSSBMNFYJO-SFGNSQDASA-N 1 1 196.319 1.746 10 0 ADAEMO CCCC[C@H]1[NH2+]CCC[C@H]1N 757214352 582951952 /nfs/dbraw/zinc/95/19/52/582951952.db2.gz LZXYDIMTQGFRQC-RKDXNWHRSA-N 1 1 156.273 1.256 10 0 ADAEMO CCCC[C@@H]1[NH2+][C@H](C)CC[C@H]1N 757212381 582951986 /nfs/dbraw/zinc/95/19/86/582951986.db2.gz INJHXEZKKQDQBM-BBBLOLIVSA-N 1 1 170.300 1.644 10 0 ADAEMO C[C@@H]1CC[C@@H](N)[C@@H](c2cccs2)[NH2+]1 757213461 582952016 /nfs/dbraw/zinc/95/20/16/582952016.db2.gz KKRPPYXCLWTUAY-MRTMQBJTSA-N 1 1 196.319 1.888 10 0 ADAEMO CC(C)C[C@H]1CC[C@H](N)C[NH2+]1 757216642 582952068 /nfs/dbraw/zinc/95/20/68/582952068.db2.gz PPOBBTBWAOMNOW-DTWKUNHWSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@H](c2ccsc2)[C@H]1N 757213878 582952183 /nfs/dbraw/zinc/95/21/83/582952183.db2.gz KMYJFVCJMKCRHL-JEZHCXPESA-N 1 1 196.319 1.746 10 0 ADAEMO CCCC[C@@H]1[NH2+][C@H](C)CC[C@@H]1N 757212383 582952192 /nfs/dbraw/zinc/95/21/92/582952192.db2.gz INJHXEZKKQDQBM-UTLUCORTSA-N 1 1 170.300 1.644 10 0 ADAEMO C[C@@H]1CC[C@H](N)[C@@H](c2cccs2)[NH2+]1 757213464 582952256 /nfs/dbraw/zinc/95/22/56/582952256.db2.gz KKRPPYXCLWTUAY-WEDXCCLWSA-N 1 1 196.319 1.888 10 0 ADAEMO C[C@@H]1CC[C@H](N)[C@H](c2cccs2)[NH2+]1 757213460 582952276 /nfs/dbraw/zinc/95/22/76/582952276.db2.gz KKRPPYXCLWTUAY-KHQFGBGNSA-N 1 1 196.319 1.888 10 0 ADAEMO CCCC[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1N 757213318 582952437 /nfs/dbraw/zinc/95/24/37/582952437.db2.gz JGXXSGRFZIIANF-UTLUCORTSA-N 1 1 170.300 1.502 10 0 ADAEMO CCCC[C@@H]1CC[C@H](N)C[NH2+]1 757215870 582952602 /nfs/dbraw/zinc/95/26/02/582952602.db2.gz NXWQCVFIOQWBNW-DTWKUNHWSA-N 1 1 156.273 1.256 10 0 ADAEMO C[C@@H]1C[NH2+][C@H](c2ccsc2)[C@H](N)C1 757215106 582952619 /nfs/dbraw/zinc/95/26/19/582952619.db2.gz MOOWTSSBMNFYJO-FXBDTBDDSA-N 1 1 196.319 1.746 10 0 ADAEMO CCCC[C@H]1CC[C@H](N)C[NH2+]1 757215874 582952673 /nfs/dbraw/zinc/95/26/73/582952673.db2.gz NXWQCVFIOQWBNW-IUCAKERBSA-N 1 1 156.273 1.256 10 0 ADAEMO CC(C)C[C@@H]1CC[C@@H](N)C[NH2+]1 757216640 582952910 /nfs/dbraw/zinc/95/29/10/582952910.db2.gz PPOBBTBWAOMNOW-BDAKNGLRSA-N 1 1 156.273 1.112 10 0 ADAEMO [NH3+]C[C@H]1CC[C@@H](c2ccsc2)NC1 757217964 582952924 /nfs/dbraw/zinc/95/29/24/582952924.db2.gz UBMPDQSVZRPBAW-SCZZXKLOSA-N 1 1 196.319 1.748 10 0 ADAEMO CC(C)C[C@@H]1CC[C@H](N)C[NH2+]1 757216645 582952947 /nfs/dbraw/zinc/95/29/47/582952947.db2.gz PPOBBTBWAOMNOW-IUCAKERBSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@@H]1C[NH2+][C@H](c2ccsc2)[C@@H](N)C1 757215116 582952952 /nfs/dbraw/zinc/95/29/52/582952952.db2.gz MOOWTSSBMNFYJO-UJNFCWOMSA-N 1 1 196.319 1.746 10 0 ADAEMO [NH3+][C@@H]1CCN[C@H](c2ccsc2)C1 757216815 582953007 /nfs/dbraw/zinc/95/30/07/582953007.db2.gz QETSLFXHVRIUTL-BDAKNGLRSA-N 1 1 182.292 1.500 10 0 ADAEMO [NH3+][C@H]1CCN[C@@H](c2ccsc2)C1 757216818 582953136 /nfs/dbraw/zinc/95/31/36/582953136.db2.gz QETSLFXHVRIUTL-DTWKUNHWSA-N 1 1 182.292 1.500 10 0 ADAEMO CCCC[C@@H]1CC[C@@H](N)C[NH2+]1 757215876 582953217 /nfs/dbraw/zinc/95/32/17/582953217.db2.gz NXWQCVFIOQWBNW-RKDXNWHRSA-N 1 1 156.273 1.256 10 0 ADAEMO CCCC[C@H]1CC[C@@H](N)C[NH2+]1 757215866 582953332 /nfs/dbraw/zinc/95/33/32/582953332.db2.gz NXWQCVFIOQWBNW-BDAKNGLRSA-N 1 1 156.273 1.256 10 0 ADAEMO [NH3+]C[C@H]1CC[C@H](c2ccsc2)NC1 757217962 582953389 /nfs/dbraw/zinc/95/33/89/582953389.db2.gz UBMPDQSVZRPBAW-PSASIEDQSA-N 1 1 196.319 1.748 10 0 ADAEMO CC(C)C[C@H]1CC[C@@H](N)C[NH2+]1 757216648 582953531 /nfs/dbraw/zinc/95/35/31/582953531.db2.gz PPOBBTBWAOMNOW-RKDXNWHRSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@@H]1C[NH2+][C@@H](c2ccsc2)[C@@H](N)C1 757215109 582953546 /nfs/dbraw/zinc/95/35/46/582953546.db2.gz MOOWTSSBMNFYJO-HGNGGELXSA-N 1 1 196.319 1.746 10 0 ADAEMO CC(C)C[C@@H]1[NH2+]CC[C@H](C)[C@H]1N 757218995 582953862 /nfs/dbraw/zinc/95/38/62/582953862.db2.gz XMGYFBPNAHKQKS-LPEHRKFASA-N 1 1 170.300 1.358 10 0 ADAEMO CCCC[C@@H]1[NH2+]C[C@H](C)C[C@@H]1N 757218500 582953926 /nfs/dbraw/zinc/95/39/26/582953926.db2.gz VJIQTFKTIRVQDW-UTLUCORTSA-N 1 1 170.300 1.502 10 0 ADAEMO N[C@H]1CCC[NH2+][C@H]1c1ccsc1 757217388 582953940 /nfs/dbraw/zinc/95/39/40/582953940.db2.gz RSMMKOWCXNJSBY-IUCAKERBSA-N 1 1 182.292 1.500 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](c2cccs2)[C@@H]1N 757218419 582953963 /nfs/dbraw/zinc/95/39/63/582953963.db2.gz VESORUUDTFYYQX-SZEHBUNVSA-N 1 1 196.319 1.746 10 0 ADAEMO CCCC[C@@H]1CC[C@@H](N)[C@H](C)[NH2+]1 757217530 582954000 /nfs/dbraw/zinc/95/40/00/582954000.db2.gz RYALTONKEOMNOI-IVZWLZJFSA-N 1 1 170.300 1.644 10 0 ADAEMO CC(C)C[C@@H]1[NH2+][C@H](C)CC[C@@H]1N 757218365 582954006 /nfs/dbraw/zinc/95/40/06/582954006.db2.gz UXWVLKDJFQQTRT-UTLUCORTSA-N 1 1 170.300 1.500 10 0 ADAEMO CCCC[C@@H]1CC[C@@H](N)[C@@H](C)[NH2+]1 757217536 582954009 /nfs/dbraw/zinc/95/40/09/582954009.db2.gz RYALTONKEOMNOI-OPRDCNLKSA-N 1 1 170.300 1.644 10 0 ADAEMO CCCC[C@@H]1C[C@@H](C)[C@@H](N)C[NH2+]1 757216837 582954013 /nfs/dbraw/zinc/95/40/13/582954013.db2.gz QFNMQAUJTVYABR-BBBLOLIVSA-N 1 1 170.300 1.502 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@H](c2cccs2)[C@@H]1N 757218418 582954039 /nfs/dbraw/zinc/95/40/39/582954039.db2.gz VESORUUDTFYYQX-QNSHHTMESA-N 1 1 196.319 1.746 10 0 ADAEMO CC(C)C[C@@H]1[NH2+]C[C@@H](N)C[C@@H]1C 757218829 582954089 /nfs/dbraw/zinc/95/40/89/582954089.db2.gz XHEGVQUEZLRBPS-GUBZILKMSA-N 1 1 170.300 1.358 10 0 ADAEMO CCCC[C@@H]1[NH2+]C[C@@H](N)C[C@H]1C 757219380 582954100 /nfs/dbraw/zinc/95/41/00/582954100.db2.gz YFFIOGXYUHBQAD-UTLUCORTSA-N 1 1 170.300 1.502 10 0 ADAEMO [NH3+][C@@H]1CCN[C@@H](c2ccsc2)C1 757216821 582954113 /nfs/dbraw/zinc/95/41/13/582954113.db2.gz QETSLFXHVRIUTL-RKDXNWHRSA-N 1 1 182.292 1.500 10 0 ADAEMO CCCC[C@@H]1[NH2+]C[C@H](N)C[C@@H]1C 757219374 582954133 /nfs/dbraw/zinc/95/41/33/582954133.db2.gz YFFIOGXYUHBQAD-AEJSXWLSSA-N 1 1 170.300 1.502 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](c2ccccc2)[C@H]1N 757217874 582954149 /nfs/dbraw/zinc/95/41/49/582954149.db2.gz SZVAZOFRLXRJCF-ADEWGFFLSA-N 1 1 190.290 1.684 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@H](c2ccccc2)[C@@H]1N 757217879 582954165 /nfs/dbraw/zinc/95/41/65/582954165.db2.gz SZVAZOFRLXRJCF-JLLWLGSASA-N 1 1 190.290 1.684 10 0 ADAEMO CC(C)C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1N 757218981 582954205 /nfs/dbraw/zinc/95/42/05/582954205.db2.gz XMGYFBPNAHKQKS-KXUCPTDWSA-N 1 1 170.300 1.358 10 0 ADAEMO [NH3+][C@H]1CCN[C@H](c2ccsc2)C1 757216819 582954274 /nfs/dbraw/zinc/95/42/74/582954274.db2.gz QETSLFXHVRIUTL-IUCAKERBSA-N 1 1 182.292 1.500 10 0 ADAEMO CCCC[C@@H]1[NH2+]C[C@@H](N)C[C@@H]1C 757219376 582954303 /nfs/dbraw/zinc/95/43/03/582954303.db2.gz YFFIOGXYUHBQAD-GUBZILKMSA-N 1 1 170.300 1.502 10 0 ADAEMO CC(C)C[C@@H]1[NH2+]C[C@@H](N)C[C@H]1C 757218837 582954322 /nfs/dbraw/zinc/95/43/22/582954322.db2.gz XHEGVQUEZLRBPS-UTLUCORTSA-N 1 1 170.300 1.358 10 0 ADAEMO [NH3+]C[C@@H]1CC[C@@H](c2ccsc2)NC1 757217988 582954339 /nfs/dbraw/zinc/95/43/39/582954339.db2.gz UBMPDQSVZRPBAW-WPRPVWTQSA-N 1 1 196.319 1.748 10 0 ADAEMO CCCC[C@@H]1C[C@@H](C)[C@H](N)C[NH2+]1 757216840 582954382 /nfs/dbraw/zinc/95/43/82/582954382.db2.gz QFNMQAUJTVYABR-OPRDCNLKSA-N 1 1 170.300 1.502 10 0 ADAEMO CC(C)C[C@@H]1[NH2+]CC[C@H](C)[C@@H]1N 757218969 582954358 /nfs/dbraw/zinc/95/43/58/582954358.db2.gz XMGYFBPNAHKQKS-GUBZILKMSA-N 1 1 170.300 1.358 10 0 ADAEMO CCCC[C@@H]1C[C@H](C)[C@H](N)C[NH2+]1 757216839 582954413 /nfs/dbraw/zinc/95/44/13/582954413.db2.gz QFNMQAUJTVYABR-IVZWLZJFSA-N 1 1 170.300 1.502 10 0 ADAEMO N[C@H]1CCC[NH2+][C@@H]1c1ccsc1 757217385 582954432 /nfs/dbraw/zinc/95/44/32/582954432.db2.gz RSMMKOWCXNJSBY-DTWKUNHWSA-N 1 1 182.292 1.500 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@H](c2cccs2)[C@H]1N 757218414 582954554 /nfs/dbraw/zinc/95/45/54/582954554.db2.gz VESORUUDTFYYQX-JEZHCXPESA-N 1 1 196.319 1.746 10 0 ADAEMO CCCC[C@@H]1CC[C@H](N)[C@@H](C)[NH2+]1 757217525 582954626 /nfs/dbraw/zinc/95/46/26/582954626.db2.gz RYALTONKEOMNOI-BBBLOLIVSA-N 1 1 170.300 1.644 10 0 ADAEMO CCCC[C@@H]1[NH2+]C[C@@H](C)C[C@H]1N 757218497 582954637 /nfs/dbraw/zinc/95/46/37/582954637.db2.gz VJIQTFKTIRVQDW-AEJSXWLSSA-N 1 1 170.300 1.502 10 0 ADAEMO CCCC[C@@H]1[NH2+]C[C@H](N)C[C@H]1C 757219375 582954669 /nfs/dbraw/zinc/95/46/69/582954669.db2.gz YFFIOGXYUHBQAD-BBBLOLIVSA-N 1 1 170.300 1.502 10 0 ADAEMO CC(C)C[C@@H]1[NH2+][C@@H](C)CC[C@@H]1N 757218363 582954675 /nfs/dbraw/zinc/95/46/75/582954675.db2.gz UXWVLKDJFQQTRT-GUBZILKMSA-N 1 1 170.300 1.500 10 0 ADAEMO [NH3+]C[C@@H]1CC[C@H](c2ccsc2)NC1 757217984 582954687 /nfs/dbraw/zinc/95/46/87/582954687.db2.gz UBMPDQSVZRPBAW-WCBMZHEXSA-N 1 1 196.319 1.748 10 0 ADAEMO N[C@@H]1CCC[NH2+][C@H]1c1ccsc1 757217381 582954698 /nfs/dbraw/zinc/95/46/98/582954698.db2.gz RSMMKOWCXNJSBY-BDAKNGLRSA-N 1 1 182.292 1.500 10 0 ADAEMO CCCC[C@@H]1CC[C@H](N)[C@H](C)[NH2+]1 757217521 582954713 /nfs/dbraw/zinc/95/47/13/582954713.db2.gz RYALTONKEOMNOI-AEJSXWLSSA-N 1 1 170.300 1.644 10 0 ADAEMO CC(C)C[C@@H]1[NH2+]C[C@H](N)C[C@@H]1C 757218820 582954724 /nfs/dbraw/zinc/95/47/24/582954724.db2.gz XHEGVQUEZLRBPS-AEJSXWLSSA-N 1 1 170.300 1.358 10 0 ADAEMO CCCC[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1N 757218499 582954760 /nfs/dbraw/zinc/95/47/60/582954760.db2.gz VJIQTFKTIRVQDW-GUBZILKMSA-N 1 1 170.300 1.502 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](c2ccccc2)[C@@H]1N 757217882 582954792 /nfs/dbraw/zinc/95/47/92/582954792.db2.gz SZVAZOFRLXRJCF-YUSALJHKSA-N 1 1 190.290 1.684 10 0 ADAEMO CC(C)C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1N 757219005 582954824 /nfs/dbraw/zinc/95/48/24/582954824.db2.gz XMGYFBPNAHKQKS-UTLUCORTSA-N 1 1 170.300 1.358 10 0 ADAEMO CCCC[C@@H]1C[C@H](C)[C@@H](N)C[NH2+]1 757216836 582954833 /nfs/dbraw/zinc/95/48/33/582954833.db2.gz QFNMQAUJTVYABR-AEJSXWLSSA-N 1 1 170.300 1.502 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@H](c2ccccc2)[C@H]1N 757217880 582954872 /nfs/dbraw/zinc/95/48/72/582954872.db2.gz SZVAZOFRLXRJCF-USWWRNFRSA-N 1 1 190.290 1.684 10 0 ADAEMO CCCC[C@@H]1[NH2+]C[C@H](C)C[C@H]1N 757218498 582954881 /nfs/dbraw/zinc/95/48/81/582954881.db2.gz VJIQTFKTIRVQDW-BBBLOLIVSA-N 1 1 170.300 1.502 10 0 ADAEMO CC(C)C[C@@H]1[NH2+]C[C@H](N)C[C@H]1C 757218825 582954902 /nfs/dbraw/zinc/95/49/02/582954902.db2.gz XHEGVQUEZLRBPS-BBBLOLIVSA-N 1 1 170.300 1.358 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](c2cccs2)[C@H]1N 757218408 582954963 /nfs/dbraw/zinc/95/49/63/582954963.db2.gz VESORUUDTFYYQX-FKTZTGRPSA-N 1 1 196.319 1.746 10 0 ADAEMO C[N@H+](CN1CC(C)(C)CC1=O)C1CC1 808139254 582958330 /nfs/dbraw/zinc/95/83/30/582958330.db2.gz BNBOZLONSKWIKZ-UHFFFAOYSA-N 1 1 196.294 1.297 10 0 ADAEMO C[N@@H+](CN1CC(C)(C)CC1=O)C1CC1 808139254 582958333 /nfs/dbraw/zinc/95/83/33/582958333.db2.gz BNBOZLONSKWIKZ-UHFFFAOYSA-N 1 1 196.294 1.297 10 0 ADAEMO CC[N@H+]1CCC=C(C2=CCOCC2)C1 757565768 582958422 /nfs/dbraw/zinc/95/84/22/582958422.db2.gz HYWKNCYQSIDRBL-UHFFFAOYSA-N 1 1 193.290 1.985 10 0 ADAEMO CC(C)C(=O)CC[N@@H+]1CCO[C@@H](C)C1 808705286 582959235 /nfs/dbraw/zinc/95/92/35/582959235.db2.gz DDXSMSCOOSBEHK-JTQLQIEISA-N 1 1 199.294 1.322 10 0 ADAEMO CC(C)C(=O)CC[N@H+]1CCO[C@@H](C)C1 808705286 582959236 /nfs/dbraw/zinc/95/92/36/582959236.db2.gz DDXSMSCOOSBEHK-JTQLQIEISA-N 1 1 199.294 1.322 10 0 ADAEMO CC(C)C(=O)CC[N@@H+]1CCO[C@H](C)C1 808705287 582959352 /nfs/dbraw/zinc/95/93/52/582959352.db2.gz DDXSMSCOOSBEHK-SNVBAGLBSA-N 1 1 199.294 1.322 10 0 ADAEMO CC(C)C(=O)CC[N@H+]1CCO[C@H](C)C1 808705287 582959354 /nfs/dbraw/zinc/95/93/54/582959354.db2.gz DDXSMSCOOSBEHK-SNVBAGLBSA-N 1 1 199.294 1.322 10 0 ADAEMO Cc1cnn(C)c1C[N@H+]1CCC1(C)C 809579501 582961255 /nfs/dbraw/zinc/96/12/55/582961255.db2.gz YWEAZGAWKXKHTP-UHFFFAOYSA-N 1 1 193.294 1.713 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)Cc1ccc(F)nc1 809743416 582962148 /nfs/dbraw/zinc/96/21/48/582962148.db2.gz ZLIDKHPFQASECB-QMMMGPOBSA-N 1 1 198.241 1.033 10 0 ADAEMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccoc2)C1 809693697 582962437 /nfs/dbraw/zinc/96/24/37/582962437.db2.gz YQKWJGNECOWCAU-PHIMTYICSA-N 1 1 195.262 1.889 10 0 ADAEMO Cc1cc(C[N@H+](C)[C@@H](C)CO)c(C)o1 809742925 582962587 /nfs/dbraw/zinc/96/25/87/582962587.db2.gz NBAIPAPDPIVIRS-QMMMGPOBSA-N 1 1 197.278 1.709 10 0 ADAEMO c1cc(CC[N@H+]2CC[C@H]3C[C@H]32)ccn1 809967871 582963244 /nfs/dbraw/zinc/96/32/44/582963244.db2.gz JRQZOGVECHYKMZ-NWDGAFQWSA-N 1 1 188.274 1.718 10 0 ADAEMO Cc1nc(C)c(C[N@H+]2CC[C@@H]3C[C@@H]32)o1 809968221 582963176 /nfs/dbraw/zinc/96/31/76/582963176.db2.gz RDKUWICIGFLLMH-ZJUUUORDSA-N 1 1 192.262 1.886 10 0 ADAEMO Cc1ncccc1C[N@H+]1CC[C@@H]2C[C@@H]21 809967828 582963190 /nfs/dbraw/zinc/96/31/90/582963190.db2.gz ILUIKOINZLJRHD-PWSUYJOCSA-N 1 1 188.274 1.984 10 0 ADAEMO Cc1nc(C)c(C[N@H+]2CC[C@H]3C[C@H]32)o1 809968220 582963268 /nfs/dbraw/zinc/96/32/68/582963268.db2.gz RDKUWICIGFLLMH-VHSXEESVSA-N 1 1 192.262 1.886 10 0 ADAEMO Cc1ncccc1C[N@H+]1CC[C@H]2C[C@H]21 809967826 582963309 /nfs/dbraw/zinc/96/33/09/582963309.db2.gz 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1 1 196.338 1.763 10 0 ADAEMO C[NH2+]CCN[C@H]1CC[C@@H]1C(C)C 817953238 582999785 /nfs/dbraw/zinc/99/97/85/582999785.db2.gz XWMPHIYLGCKSAA-ZJUUUORDSA-N 1 1 170.300 1.230 10 0 ADAEMO CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)N 817960848 582999820 /nfs/dbraw/zinc/99/98/20/582999820.db2.gz RPAHLYFBSABSJC-ZJUUUORDSA-N 1 1 184.327 1.748 10 0 ADAEMO C[NH2+]CCN[C@@H]1CC[C@@H]1C(C)C 817953234 582999864 /nfs/dbraw/zinc/99/98/64/582999864.db2.gz XWMPHIYLGCKSAA-NXEZZACHSA-N 1 1 170.300 1.230 10 0 ADAEMO CC(C)[C@@H]1CC[C@H]1NC[C@@H]1CCC[NH2+]1 817953995 582999875 /nfs/dbraw/zinc/99/98/75/582999875.db2.gz URSCSFYSGBIFES-SDDRHHMPSA-N 1 1 196.338 1.763 10 0 ADAEMO CC(C)[C@H](N)C[NH2+][C@H]1CC[C@@H]1C(C)C 817958637 582999901 /nfs/dbraw/zinc/99/99/01/582999901.db2.gz KTWNEFLLMQYGNX-UTUOFQBUSA-N 1 1 198.354 1.994 10 0 ADAEMO CC[NH2+]CCN[C@@H]1CC[C@@H]1C(C)C 817952563 582999916 /nfs/dbraw/zinc/99/99/16/582999916.db2.gz RTBQOUASPKEQNR-GHMZBOCLSA-N 1 1 184.327 1.620 10 0 ADAEMO C[NH2+]CCN[C@@H]1CC[C@H]1C(C)C 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/nfs/dbraw/zinc/00/03/28/583000328.db2.gz RTBQOUASPKEQNR-MNOVXSKESA-N 1 1 184.327 1.620 10 0 ADAEMO CC(C)[C@H](N)C[NH2+][C@@H]1CC[C@H]1C(C)C 817958635 583000332 /nfs/dbraw/zinc/00/03/32/583000332.db2.gz KTWNEFLLMQYGNX-QJPTWQEYSA-N 1 1 198.354 1.994 10 0 ADAEMO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](N)C1CC1 817964735 583000464 /nfs/dbraw/zinc/00/04/64/583000464.db2.gz GNGIVSWQYQRKHS-TUAOUCFPSA-N 1 1 196.338 1.748 10 0 ADAEMO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(N)CCC1 817965417 583000478 /nfs/dbraw/zinc/00/04/78/583000478.db2.gz UOQZRZSMSSGBPA-MNOVXSKESA-N 1 1 196.338 1.892 10 0 ADAEMO CC(C)[C@@H]1CC[C@@H]1NC[C@H]1CCC[NH2+]1 817953997 583000491 /nfs/dbraw/zinc/00/04/91/583000491.db2.gz URSCSFYSGBIFES-WOPDTQHZSA-N 1 1 196.338 1.763 10 0 ADAEMO CC(C)[C@H](N)C[NH2+][C@H]1CC[C@H]1C(C)C 817958636 583000595 /nfs/dbraw/zinc/00/05/95/583000595.db2.gz KTWNEFLLMQYGNX-TUAOUCFPSA-N 1 1 198.354 1.994 10 0 ADAEMO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(N)CCC1 817965421 583000646 /nfs/dbraw/zinc/00/06/46/583000646.db2.gz 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CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](C)N 817972092 583001281 /nfs/dbraw/zinc/00/12/81/583001281.db2.gz JOPGYRVFRJDOHJ-LPEHRKFASA-N 1 1 170.300 1.358 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 817979938 583001320 /nfs/dbraw/zinc/00/13/20/583001320.db2.gz QLPAMGQHJWUQHN-HLFFCZDVSA-N 1 1 182.311 1.500 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 817979940 583001390 /nfs/dbraw/zinc/00/13/90/583001390.db2.gz QLPAMGQHJWUQHN-MPKXCIJOSA-N 1 1 182.311 1.500 10 0 ADAEMO CC[C@H](N)C[NH2+][C@H]1CC[C@H]1C(C)C 817981133 583001488 /nfs/dbraw/zinc/00/14/88/583001488.db2.gz ZDUVVIUQJQCVKM-DCAQKATOSA-N 1 1 184.327 1.748 10 0 ADAEMO CC[C@H](N)C[NH2+][C@@H]1CC[C@@H]1C(C)C 817981135 583001526 /nfs/dbraw/zinc/00/15/26/583001526.db2.gz ZDUVVIUQJQCVKM-HBNTYKKESA-N 1 1 184.327 1.748 10 0 ADAEMO CC(C)[C@H]1CC[C@H]1[NH2+]C[C@H](C)N 817972090 583001623 /nfs/dbraw/zinc/00/16/23/583001623.db2.gz JOPGYRVFRJDOHJ-IVZWLZJFSA-N 1 1 170.300 1.358 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 817979942 583001659 /nfs/dbraw/zinc/00/16/59/583001659.db2.gz QLPAMGQHJWUQHN-UUTMEEIUSA-N 1 1 182.311 1.500 10 0 ADAEMO CC[C@H](N)C[NH2+][C@@H]1CC[C@H]1C(C)C 817981134 583001884 /nfs/dbraw/zinc/00/18/84/583001884.db2.gz ZDUVVIUQJQCVKM-GARJFASQSA-N 1 1 184.327 1.748 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 817979941 583001895 /nfs/dbraw/zinc/00/18/95/583001895.db2.gz QLPAMGQHJWUQHN-OINDSLJFSA-N 1 1 182.311 1.500 10 0 ADAEMO CO[C@H](c1noc([C@@H](C)[NH3+])n1)C1CC1 131240640 583463827 /nfs/dbraw/zinc/46/38/27/583463827.db2.gz BZWDSMZJFCAMMZ-VDTYLAMSSA-N 1 1 197.238 1.187 10 0 ADAEMO CC[NH+]1CCN(c2ncc(C)o2)CC1 820598492 583023232 /nfs/dbraw/zinc/02/32/32/583023232.db2.gz FHKNFPCMTVYMOU-UHFFFAOYSA-N 1 1 195.266 1.125 10 0 ADAEMO C=C=CCNc1cc(C)[nH+]c(C)n1 820586226 583023679 /nfs/dbraw/zinc/02/36/79/583023679.db2.gz HEWIOOLTQTTWAD-UHFFFAOYSA-N 1 1 175.235 1.846 10 0 ADAEMO CC[C@@H](C)C[N@H+]1CCCN(C=O)CC1 821278969 583027968 /nfs/dbraw/zinc/02/79/68/583027968.db2.gz HSBBRGDUMBHEPW-LLVKDONJSA-N 1 1 198.310 1.197 10 0 ADAEMO CC[C@H](C)C[N@H+]1CCCN(C=O)CC1 821278983 583028405 /nfs/dbraw/zinc/02/84/05/583028405.db2.gz HSBBRGDUMBHEPW-NSHDSACASA-N 1 1 198.310 1.197 10 0 ADAEMO CC1=CC[N@@H+](C[C@H]2CCC(=O)O2)CC1 821396040 583029121 /nfs/dbraw/zinc/02/91/21/583029121.db2.gz FSBHLBMTUQPQPJ-SNVBAGLBSA-N 1 1 195.262 1.344 10 0 ADAEMO CC1=CC[N@@H+](C[C@@H]2CCC(=O)O2)CC1 821396039 583029464 /nfs/dbraw/zinc/02/94/64/583029464.db2.gz FSBHLBMTUQPQPJ-JTQLQIEISA-N 1 1 195.262 1.344 10 0 ADAEMO CC/C(C)=C\C(=O)N1CC[NH+](C)CC1 822114553 583033617 /nfs/dbraw/zinc/03/36/17/583033617.db2.gz CXESWNTWUWUSNO-KTKRTIGZSA-N 1 1 196.294 1.117 10 0 ADAEMO CS[C@H]1CC[C@@H]1[NH2+]C(CF)CF 822484907 583036186 /nfs/dbraw/zinc/03/61/86/583036186.db2.gz DMYVSUIKPCBBBH-YUMQZZPRSA-N 1 1 195.278 1.778 10 0 ADAEMO CS[C@@H]1CC[C@H]1[NH2+]C(CF)CF 822484904 583036341 /nfs/dbraw/zinc/03/63/41/583036341.db2.gz DMYVSUIKPCBBBH-HTQZYQBOSA-N 1 1 195.278 1.778 10 0 ADAEMO CS[C@@H]1CC[C@@H]1[NH2+]C(CF)CF 822484905 583036508 /nfs/dbraw/zinc/03/65/08/583036508.db2.gz DMYVSUIKPCBBBH-JGVFFNPUSA-N 1 1 195.278 1.778 10 0 ADAEMO CS[C@H]1CC[C@H]1[NH2+]C(CF)CF 822484906 583036530 /nfs/dbraw/zinc/03/65/30/583036530.db2.gz DMYVSUIKPCBBBH-SFYZADRCSA-N 1 1 195.278 1.778 10 0 ADAEMO CO[C@@H](C[N@H+]1CCC1(C)C)C1CC1 822751505 583037059 /nfs/dbraw/zinc/03/70/59/583037059.db2.gz YTSANGFDJDKERJ-JTQLQIEISA-N 1 1 183.295 1.896 10 0 ADAEMO CO[C@H](C[N@H+]1CCC1(C)C)C1CC1 822751507 583037404 /nfs/dbraw/zinc/03/74/04/583037404.db2.gz YTSANGFDJDKERJ-SNVBAGLBSA-N 1 1 183.295 1.896 10 0 ADAEMO CC[C@H](O)C[N@@H+]1Cc2cccnc2C1 822996120 583038806 /nfs/dbraw/zinc/03/88/06/583038806.db2.gz HKNVTXLHKRHHLR-JTQLQIEISA-N 1 1 192.262 1.168 10 0 ADAEMO CC[C@H](O)C[N@H+]1Cc2cccnc2C1 822996120 583038809 /nfs/dbraw/zinc/03/88/09/583038809.db2.gz HKNVTXLHKRHHLR-JTQLQIEISA-N 1 1 192.262 1.168 10 0 ADAEMO Fc1cc(C[NH+]2CCCC2)c(F)cn1 823379367 583040115 /nfs/dbraw/zinc/04/01/15/583040115.db2.gz CSYSUOVBHBCIEQ-UHFFFAOYSA-N 1 1 198.216 1.956 10 0 ADAEMO CC[N@H+](C)Cc1cc(F)ncc1F 823395039 583040354 /nfs/dbraw/zinc/04/03/54/583040354.db2.gz JJUOAROQPDXMIA-UHFFFAOYSA-N 1 1 186.205 1.812 10 0 ADAEMO CC[N@@H+](C)Cc1cc(F)ncc1F 823395039 583040358 /nfs/dbraw/zinc/04/03/58/583040358.db2.gz JJUOAROQPDXMIA-UHFFFAOYSA-N 1 1 186.205 1.812 10 0 ADAEMO FCC(CF)[NH2+][C@@H]1CCCSC1 824554189 583044385 /nfs/dbraw/zinc/04/43/85/583044385.db2.gz CAWFSFLCLHAKIG-SSDOTTSWSA-N 1 1 195.278 1.779 10 0 ADAEMO FCC(CF)[NH2+][C@H]1CCSC1 824554345 583044410 /nfs/dbraw/zinc/04/44/10/583044410.db2.gz FEQJGPOSGMVVAK-LURJTMIESA-N 1 1 181.251 1.389 10 0 ADAEMO C[C@H]1CSC[C@H]1[NH2+]C(CF)CF 824554442 583044454 /nfs/dbraw/zinc/04/44/54/583044454.db2.gz GJSYXFZQVIJSCK-POYBYMJQSA-N 1 1 195.278 1.635 10 0 ADAEMO C[C@@H]1CSC[C@@H]1[NH2+]C(CF)CF 824554443 583044460 /nfs/dbraw/zinc/04/44/60/583044460.db2.gz GJSYXFZQVIJSCK-SVRRBLITSA-N 1 1 195.278 1.635 10 0 ADAEMO FCC(CF)[NH2+][C@H]1CCCSC1 824554193 583044674 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/nfs/dbraw/zinc/16/88/17/583168817.db2.gz VPOPNMKKUMPLLZ-SVRRBLITSA-N 1 1 195.222 1.329 10 0 ADAEMO COC[C@H](C)O[NH+]=C(N)[C@@H]1C[C@H]1C 848521008 583168820 /nfs/dbraw/zinc/16/88/20/583168820.db2.gz SDIRVTWESREDBX-GJMOJQLCSA-N 1 1 186.255 1.176 10 0 ADAEMO CCOCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848516842 583168824 /nfs/dbraw/zinc/16/88/24/583168824.db2.gz GAPLMOWDFNKVAC-YUMQZZPRSA-N 1 1 186.255 1.177 10 0 ADAEMO C[C@H]1C[C@H]1C(N)=[NH+]OC1CCC1 848518535 583168828 /nfs/dbraw/zinc/16/88/28/583168828.db2.gz IMIQXALUHDCRMV-POYBYMJQSA-N 1 1 168.240 1.693 10 0 ADAEMO COCCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848516744 583168842 /nfs/dbraw/zinc/16/88/42/583168842.db2.gz FJLNELLEQOBUBX-JGVFFNPUSA-N 1 1 186.255 1.177 10 0 ADAEMO CSCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848516899 583168850 /nfs/dbraw/zinc/16/88/50/583168850.db2.gz FQSIBWCPCFJFQA-RNFRBKRXSA-N 1 1 188.296 1.504 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OC[C@H]1CCCO1 848522800 583168867 /nfs/dbraw/zinc/16/88/67/583168867.db2.gz XVABADGEEBKSBV-IWSPIJDZSA-N 1 1 198.266 1.320 10 0 ADAEMO CCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848523271 583168884 /nfs/dbraw/zinc/16/88/84/583168884.db2.gz ZOWFMJMNRUZBRT-NTSWFWBYSA-N 1 1 142.202 1.161 10 0 ADAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccno1 848521519 583168889 /nfs/dbraw/zinc/16/88/89/583168889.db2.gz TYDGYHQHWWHAAC-SVRRBLITSA-N 1 1 195.222 1.329 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCCC1(O)CC1 848517799 583168902 /nfs/dbraw/zinc/16/89/02/583168902.db2.gz GFMVLCAJJABGNF-HTQZYQBOSA-N 1 1 198.266 1.056 10 0 ADAEMO CCCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848517555 583168915 /nfs/dbraw/zinc/16/89/15/583168915.db2.gz IDYYHULFWBEDIY-HTQZYQBOSA-N 1 1 170.256 1.941 10 0 ADAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OC1CCC1 848518537 583168921 /nfs/dbraw/zinc/16/89/21/583168921.db2.gz IMIQXALUHDCRMV-SVRRBLITSA-N 1 1 168.240 1.693 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OC1CCC1 848518527 583168947 /nfs/dbraw/zinc/16/89/47/583168947.db2.gz IMIQXALUHDCRMV-HTRCEHHLSA-N 1 1 168.240 1.693 10 0 ADAEMO CCCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848517559 583168953 /nfs/dbraw/zinc/16/89/53/583168953.db2.gz IDYYHULFWBEDIY-JGVFFNPUSA-N 1 1 170.256 1.941 10 0 ADAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCCCCF 848523273 583168972 /nfs/dbraw/zinc/16/89/72/583168972.db2.gz ZZOSJIPWAXLSTD-JGVFFNPUSA-N 1 1 188.246 1.891 10 0 ADAEMO CCO[NH+]=C(N)[C@H]1C[C@H]1C 848523274 583168976 /nfs/dbraw/zinc/16/89/76/583168976.db2.gz ZOWFMJMNRUZBRT-RITPCOANSA-N 1 1 142.202 1.161 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccno1 848521508 583168980 /nfs/dbraw/zinc/16/89/80/583168980.db2.gz TYDGYHQHWWHAAC-HTRCEHHLSA-N 1 1 195.222 1.329 10 0 ADAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCCC1(O)CC1 848517802 583168992 /nfs/dbraw/zinc/16/89/92/583168992.db2.gz GFMVLCAJJABGNF-YUMQZZPRSA-N 1 1 198.266 1.056 10 0 ADAEMO COC[C@H](C)O[NH+]=C(N)[C@H]1C[C@@H]1C 848521007 583169023 /nfs/dbraw/zinc/16/90/23/583169023.db2.gz SDIRVTWESREDBX-FXQIFTODSA-N 1 1 186.255 1.176 10 0 ADAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccon1 848521750 583169028 /nfs/dbraw/zinc/16/90/28/583169028.db2.gz VPOPNMKKUMPLLZ-POYBYMJQSA-N 1 1 195.222 1.329 10 0 ADAEMO CCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848518707 583169034 /nfs/dbraw/zinc/16/90/34/583169034.db2.gz LKWSLPXTNOHASR-BQBZGAKWSA-N 1 1 156.229 1.551 10 0 ADAEMO CC(C)CO[NH+]=C(N)[C@@H]1C[C@@H]1C 848516374 583169042 /nfs/dbraw/zinc/16/90/42/583169042.db2.gz BXSPCULKAKCWPN-JGVFFNPUSA-N 1 1 170.256 1.797 10 0 ADAEMO CCOCCO[NH+]=C(N)[C@H]1C[C@H]1C 848516838 583169044 /nfs/dbraw/zinc/16/90/44/583169044.db2.gz GAPLMOWDFNKVAC-SFYZADRCSA-N 1 1 186.255 1.177 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OC[C@@H]1CCCO1 848522799 583169046 /nfs/dbraw/zinc/16/90/46/583169046.db2.gz XVABADGEEBKSBV-HRDYMLBCSA-N 1 1 198.266 1.320 10 0 ADAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCC1CC1 848516787 583169048 /nfs/dbraw/zinc/16/90/48/583169048.db2.gz FUPBNKKEFXTPBW-POYBYMJQSA-N 1 1 168.240 1.551 10 0 ADAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCC1CCC1 848519034 583169059 /nfs/dbraw/zinc/16/90/59/583169059.db2.gz MNEBCXNXSGAIQA-CBAPKCEASA-N 1 1 182.267 1.941 10 0 ADAEMO CO[C@H](C)CO[NH+]=C(N)[C@H]1C[C@H]1C 848522823 583169064 /nfs/dbraw/zinc/16/90/64/583169064.db2.gz YCVSIHZXEOQOOQ-PRJMDXOYSA-N 1 1 186.255 1.176 10 0 ADAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCC1(C)COC1 848518841 583169075 /nfs/dbraw/zinc/16/90/75/583169075.db2.gz LXQVBYRRLYGUSJ-JGVFFNPUSA-N 1 1 198.266 1.177 10 0 ADAEMO CCOCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848516835 583169090 /nfs/dbraw/zinc/16/90/90/583169090.db2.gz GAPLMOWDFNKVAC-HTQZYQBOSA-N 1 1 186.255 1.177 10 0 ADAEMO CCCCO[NH+]=C(N)[C@H]1C[C@H]1C 848517561 583169095 /nfs/dbraw/zinc/16/90/95/583169095.db2.gz IDYYHULFWBEDIY-SFYZADRCSA-N 1 1 170.256 1.941 10 0 ADAEMO CC(C)CO[NH+]=C(N)[C@H]1C[C@@H]1C 848516376 583169104 /nfs/dbraw/zinc/16/91/04/583169104.db2.gz BXSPCULKAKCWPN-YUMQZZPRSA-N 1 1 170.256 1.797 10 0 ADAEMO CO[C@H](C)CO[NH+]=C(N)[C@@H]1C[C@@H]1C 848522825 583169123 /nfs/dbraw/zinc/16/91/23/583169123.db2.gz YCVSIHZXEOQOOQ-XLPZGREQSA-N 1 1 186.255 1.176 10 0 ADAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCCCCF 848523277 583169135 /nfs/dbraw/zinc/16/91/35/583169135.db2.gz ZZOSJIPWAXLSTD-YUMQZZPRSA-N 1 1 188.246 1.891 10 0 ADAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCC1(C)COC1 848518844 583169139 /nfs/dbraw/zinc/16/91/39/583169139.db2.gz LXQVBYRRLYGUSJ-YUMQZZPRSA-N 1 1 198.266 1.177 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCC1(C)COC1 848518839 583169142 /nfs/dbraw/zinc/16/91/42/583169142.db2.gz LXQVBYRRLYGUSJ-HTQZYQBOSA-N 1 1 198.266 1.177 10 0 ADAEMO CC(C)CO[NH+]=C(N)[C@@H]1C[C@H]1C 848516373 583169147 /nfs/dbraw/zinc/16/91/47/583169147.db2.gz BXSPCULKAKCWPN-HTQZYQBOSA-N 1 1 170.256 1.797 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCC1CC1 848516783 583169160 /nfs/dbraw/zinc/16/91/60/583169160.db2.gz FUPBNKKEFXTPBW-HTRCEHHLSA-N 1 1 168.240 1.551 10 0 ADAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCCC1(O)CC1 848517800 583169197 /nfs/dbraw/zinc/16/91/97/583169197.db2.gz GFMVLCAJJABGNF-JGVFFNPUSA-N 1 1 198.266 1.056 10 0 ADAEMO CCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848518718 583169229 /nfs/dbraw/zinc/16/92/29/583169229.db2.gz LKWSLPXTNOHASR-NKWVEPMBSA-N 1 1 156.229 1.551 10 0 ADAEMO CCCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848517562 583169235 /nfs/dbraw/zinc/16/92/35/583169235.db2.gz IDYYHULFWBEDIY-YUMQZZPRSA-N 1 1 170.256 1.941 10 0 ADAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OC1CCC1 848518539 583169274 /nfs/dbraw/zinc/16/92/74/583169274.db2.gz IMIQXALUHDCRMV-XPUUQOCRSA-N 1 1 168.240 1.693 10 0 ADAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OC[C@@H]1CCCO1 848522801 583169336 /nfs/dbraw/zinc/16/93/36/583169336.db2.gz XVABADGEEBKSBV-VGMNWLOBSA-N 1 1 198.266 1.320 10 0 ADAEMO CCO[NH+]=C(N)[C@@H]1C[C@H]1C 848523272 583169372 /nfs/dbraw/zinc/16/93/72/583169372.db2.gz ZOWFMJMNRUZBRT-PHDIDXHHSA-N 1 1 142.202 1.161 10 0 ADAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccon1 848521756 583169386 /nfs/dbraw/zinc/16/93/86/583169386.db2.gz VPOPNMKKUMPLLZ-XPUUQOCRSA-N 1 1 195.222 1.329 10 0 ADAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCC1CCC1 848519033 583169392 /nfs/dbraw/zinc/16/93/92/583169392.db2.gz MNEBCXNXSGAIQA-APPZFPTMSA-N 1 1 182.267 1.941 10 0 ADAEMO CC(C)O[NH+]=C(N)[C@@H]1C[C@H]1C 848520051 583169405 /nfs/dbraw/zinc/16/94/05/583169405.db2.gz PIWKMMFFYCJSCE-RNFRBKRXSA-N 1 1 156.229 1.549 10 0 ADAEMO COCCCO[NH+]=C(N)[C@H]1C[C@H]1C 848516745 583169411 /nfs/dbraw/zinc/16/94/11/583169411.db2.gz FJLNELLEQOBUBX-SFYZADRCSA-N 1 1 186.255 1.177 10 0 ADAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccno1 848521516 583169415 /nfs/dbraw/zinc/16/94/15/583169415.db2.gz TYDGYHQHWWHAAC-POYBYMJQSA-N 1 1 195.222 1.329 10 0 ADAEMO CCCO[NH+]=C(N)[C@H]1C[C@H]1C 848518721 583169437 /nfs/dbraw/zinc/16/94/37/583169437.db2.gz LKWSLPXTNOHASR-RQJHMYQMSA-N 1 1 156.229 1.551 10 0 ADAEMO CC(C)O[NH+]=C(N)[C@@H]1C[C@@H]1C 848520050 583169451 /nfs/dbraw/zinc/16/94/51/583169451.db2.gz PIWKMMFFYCJSCE-NKWVEPMBSA-N 1 1 156.229 1.549 10 0 ADAEMO COCCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848516743 583169461 /nfs/dbraw/zinc/16/94/61/583169461.db2.gz FJLNELLEQOBUBX-HTQZYQBOSA-N 1 1 186.255 1.177 10 0 ADAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCCC1(O)CC1 848517801 583169465 /nfs/dbraw/zinc/16/94/65/583169465.db2.gz GFMVLCAJJABGNF-SFYZADRCSA-N 1 1 198.266 1.056 10 0 ADAEMO CSCCO[NH+]=C(N)[C@H]1C[C@H]1C 848516900 583169470 /nfs/dbraw/zinc/16/94/70/583169470.db2.gz FQSIBWCPCFJFQA-RQJHMYQMSA-N 1 1 188.296 1.504 10 0 ADAEMO COC[C@H](C)O[NH+]=C(N)[C@H]1C[C@H]1C 848521005 583169491 /nfs/dbraw/zinc/16/94/91/583169491.db2.gz SDIRVTWESREDBX-CSMHCCOUSA-N 1 1 186.255 1.176 10 0 ADAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OC[C@H]1CCCO1 848522798 583169497 /nfs/dbraw/zinc/16/94/97/583169497.db2.gz XVABADGEEBKSBV-HLTSFMKQSA-N 1 1 198.266 1.320 10 0 ADAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCCCCF 848523275 583169499 /nfs/dbraw/zinc/16/94/99/583169499.db2.gz ZZOSJIPWAXLSTD-SFYZADRCSA-N 1 1 188.246 1.891 10 0 ADAEMO COCCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848516746 583169501 /nfs/dbraw/zinc/16/95/01/583169501.db2.gz FJLNELLEQOBUBX-YUMQZZPRSA-N 1 1 186.255 1.177 10 0 ADAEMO CCO[NH+]=C(N)[C@H]1C[C@@H]1C 848523276 583169503 /nfs/dbraw/zinc/16/95/03/583169503.db2.gz ZOWFMJMNRUZBRT-WDSKDSINSA-N 1 1 142.202 1.161 10 0 ADAEMO CC(C)O[NH+]=C(N)[C@H]1C[C@H]1C 848520052 583169507 /nfs/dbraw/zinc/16/95/07/583169507.db2.gz PIWKMMFFYCJSCE-RQJHMYQMSA-N 1 1 156.229 1.549 10 0 ADAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCC1(C)COC1 848518843 583169509 /nfs/dbraw/zinc/16/95/09/583169509.db2.gz LXQVBYRRLYGUSJ-SFYZADRCSA-N 1 1 198.266 1.177 10 0 ADAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccno1 848521522 583169515 /nfs/dbraw/zinc/16/95/15/583169515.db2.gz TYDGYHQHWWHAAC-XPUUQOCRSA-N 1 1 195.222 1.329 10 0 ADAEMO CO[C@H](C)CO[NH+]=C(N)[C@@H]1C[C@H]1C 848522822 583169517 /nfs/dbraw/zinc/16/95/17/583169517.db2.gz YCVSIHZXEOQOOQ-BWZBUEFSSA-N 1 1 186.255 1.176 10 0 ADAEMO COC[C@H](C)O[NH+]=C(N)[C@@H]1C[C@@H]1C 848520997 583169519 /nfs/dbraw/zinc/16/95/19/583169519.db2.gz SDIRVTWESREDBX-BIIVOSGPSA-N 1 1 186.255 1.176 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccon1 848521747 583169521 /nfs/dbraw/zinc/16/95/21/583169521.db2.gz VPOPNMKKUMPLLZ-HTRCEHHLSA-N 1 1 195.222 1.329 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCCCCF 848523265 583169523 /nfs/dbraw/zinc/16/95/23/583169523.db2.gz ZZOSJIPWAXLSTD-HTQZYQBOSA-N 1 1 188.246 1.891 10 0 ADAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCC1CCC1 848519036 583169529 /nfs/dbraw/zinc/16/95/29/583169529.db2.gz MNEBCXNXSGAIQA-VXNVDRBHSA-N 1 1 182.267 1.941 10 0 ADAEMO CC(C)O[NH+]=C(N)[C@H]1C[C@@H]1C 848520049 583169538 /nfs/dbraw/zinc/16/95/38/583169538.db2.gz PIWKMMFFYCJSCE-BQBZGAKWSA-N 1 1 156.229 1.549 10 0 ADAEMO CSCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848516897 583169541 /nfs/dbraw/zinc/16/95/41/583169541.db2.gz FQSIBWCPCFJFQA-BQBZGAKWSA-N 1 1 188.296 1.504 10 0 ADAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCC1CCC1 848519035 583169563 /nfs/dbraw/zinc/16/95/63/583169563.db2.gz MNEBCXNXSGAIQA-IONNQARKSA-N 1 1 182.267 1.941 10 0 ADAEMO CCOCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848516837 583169567 /nfs/dbraw/zinc/16/95/67/583169567.db2.gz GAPLMOWDFNKVAC-JGVFFNPUSA-N 1 1 186.255 1.177 10 0 ADAEMO CO[C@H](C)CO[NH+]=C(N)[C@H]1C[C@@H]1C 848522824 583169588 /nfs/dbraw/zinc/16/95/88/583169588.db2.gz YCVSIHZXEOQOOQ-RNJXMRFFSA-N 1 1 186.255 1.176 10 0 ADAEMO 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1.186 10 0 ADAEMO FCCC[NH2+][C@H]1CCCc2c[nH]nc21 857859343 583266869 /nfs/dbraw/zinc/26/68/69/583266869.db2.gz SUIGCEMFXGTYGN-VIFPVBQESA-N 1 1 197.257 1.736 10 0 ADAEMO CC=CC[NH2+][C@H]1CCCc2c[nH]nc21 857871403 583266906 /nfs/dbraw/zinc/26/69/06/583266906.db2.gz OTCNRIRYGISEKY-PBKGFPTLSA-N 1 1 191.278 1.953 10 0 ADAEMO CC=CC[NH2+][C@H]1CCCc2c[nH]nc21 857871405 583266909 /nfs/dbraw/zinc/26/69/09/583266909.db2.gz OTCNRIRYGISEKY-ZMWSMAPVSA-N 1 1 191.278 1.953 10 0 ADAEMO CC=CC[NH2+][C@@H]1CCCc2c[nH]nc21 857871404 583266971 /nfs/dbraw/zinc/26/69/71/583266971.db2.gz OTCNRIRYGISEKY-VMZHVLLKSA-N 1 1 191.278 1.953 10 0 ADAEMO FCC[NH2+][C@@H]1CCCc2cn[nH]c21 857865574 583267389 /nfs/dbraw/zinc/26/73/89/583267389.db2.gz NFDKPWRXYCNSQZ-MRVPVSSYSA-N 1 1 183.230 1.346 10 0 ADAEMO FCC[NH2+][C@@H]1CCCc2c[nH]nc21 857865574 583267393 /nfs/dbraw/zinc/26/73/93/583267393.db2.gz NFDKPWRXYCNSQZ-MRVPVSSYSA-N 1 1 183.230 1.346 10 0 ADAEMO CC=CC[NH2+][C@@H]1CCCc2c[nH]nc21 857871402 583267445 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883436067 583466175 /nfs/dbraw/zinc/46/61/75/583466175.db2.gz JRNZOQLYDUGCFW-ARJAWSKDSA-N 1 1 192.306 1.542 10 0 ADAEMO COC(=O)/C(C)=C\C[N@@H+](C)CC1CC1 214638292 583467211 /nfs/dbraw/zinc/46/72/11/583467211.db2.gz YDLAGCJOJXTKMZ-TWGQIWQCSA-N 1 1 197.278 1.448 10 0 ADAEMO C[C@@H]1CC[N@@H+](C[C@H](O)C2CC2)C[C@@H]1C 132097270 583467562 /nfs/dbraw/zinc/46/75/62/583467562.db2.gz FKCQPXYZDHLYRI-SCVCMEIPSA-N 1 1 197.322 1.735 10 0 ADAEMO CCn1cc(C[N@@H+]2CC[C@@H](C)C2)nn1 883999461 583471235 /nfs/dbraw/zinc/47/12/35/583471235.db2.gz CXBHSNUYOBRWGT-SECBINFHSA-N 1 1 194.282 1.140 10 0 ADAEMO CCn1cc(C[N@H+]2CC[C@@H](C)C2)nn1 883999461 583471236 /nfs/dbraw/zinc/47/12/36/583471236.db2.gz CXBHSNUYOBRWGT-SECBINFHSA-N 1 1 194.282 1.140 10 0 ADAEMO CCn1cc(C[N@@H+]2CC[C@H](C)C2)nn1 883999462 583471595 /nfs/dbraw/zinc/47/15/95/583471595.db2.gz CXBHSNUYOBRWGT-VIFPVBQESA-N 1 1 194.282 1.140 10 0 ADAEMO CCn1cc(C[N@H+]2CC[C@H](C)C2)nn1 883999462 583471597 /nfs/dbraw/zinc/47/15/97/583471597.db2.gz CXBHSNUYOBRWGT-VIFPVBQESA-N 1 1 194.282 1.140 10 0 ADAEMO CCn1cc(C[N@H+](CC)C2CC2)nn1 883992717 583471718 /nfs/dbraw/zinc/47/17/18/583471718.db2.gz CCQSYDSTGHIUJN-UHFFFAOYSA-N 1 1 194.282 1.282 10 0 ADAEMO CCn1cc(C[N@@H+](CC)C2CC2)nn1 883992717 583471720 /nfs/dbraw/zinc/47/17/20/583471720.db2.gz CCQSYDSTGHIUJN-UHFFFAOYSA-N 1 1 194.282 1.282 10 0 ADAEMO CCCC[N@H+](C)Cc1cn(CC)nn1 883996065 583471729 /nfs/dbraw/zinc/47/17/29/583471729.db2.gz HVSVONACHRXBFN-UHFFFAOYSA-N 1 1 196.298 1.530 10 0 ADAEMO CCCC[N@@H+](C)Cc1cn(CC)nn1 883996065 583471731 /nfs/dbraw/zinc/47/17/31/583471731.db2.gz HVSVONACHRXBFN-UHFFFAOYSA-N 1 1 196.298 1.530 10 0 ADAEMO CC(=O)[C@H]1CCC[N@H+](CC[C@@H](C)O)C1 133801495 583473548 /nfs/dbraw/zinc/47/35/48/583473548.db2.gz YVHXXYBPZWPDKO-KOLCDFICSA-N 1 1 199.294 1.058 10 0 ADAEMO COC(=O)/C=C1/CCC[N@@H+](C)CC1 133883410 583473804 /nfs/dbraw/zinc/47/38/04/583473804.db2.gz OBJVKLQWVNVRBL-HJWRWDBZSA-N 1 1 183.251 1.202 10 0 ADAEMO CC(=O)[C@H]1CCC[N@H+](CC[C@H](C)O)C1 133801293 583474135 /nfs/dbraw/zinc/47/41/35/583474135.db2.gz YVHXXYBPZWPDKO-ONGXEEELSA-N 1 1 199.294 1.058 10 0 ADAEMO NC[C@@H]1CC[N@@H+]1CC1CCCCC1 215766512 583480785 /nfs/dbraw/zinc/48/07/85/583480785.db2.gz DKUGUCKRXKKVPM-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO NC[C@@H]1CC[N@H+]1CC1CCCCC1 215766512 583480788 /nfs/dbraw/zinc/48/07/88/583480788.db2.gz DKUGUCKRXKKVPM-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO NC[C@H]1CC[N@@H+]1CC1CCCC1 215766345 583480905 /nfs/dbraw/zinc/48/09/05/583480905.db2.gz BYZQUDDUBSZSOA-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO NC[C@H]1CC[N@H+]1CC1CCCC1 215766345 583480907 /nfs/dbraw/zinc/48/09/07/583480907.db2.gz BYZQUDDUBSZSOA-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO NC[C@@H]1CC[N@@H+]1CC1CCCC1 215766395 583481036 /nfs/dbraw/zinc/48/10/36/583481036.db2.gz BYZQUDDUBSZSOA-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO NC[C@@H]1CC[N@H+]1CC1CCCC1 215766395 583481039 /nfs/dbraw/zinc/48/10/39/583481039.db2.gz BYZQUDDUBSZSOA-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO NC[C@H]1CC[N@@H+]1CC1CCCCC1 215766463 583481231 /nfs/dbraw/zinc/48/12/31/583481231.db2.gz DKUGUCKRXKKVPM-LLVKDONJSA-N 1 1 182.311 1.600 10 0 ADAEMO NC[C@H]1CC[N@H+]1CC1CCCCC1 215766463 583481232 /nfs/dbraw/zinc/48/12/32/583481232.db2.gz DKUGUCKRXKKVPM-LLVKDONJSA-N 1 1 182.311 1.600 10 0 ADAEMO COC(=O)/C(C)=C/C[N@@H+](C)C1CCC1 135355767 583482911 /nfs/dbraw/zinc/48/29/11/583482911.db2.gz ZTASEDQPQJSPRH-VQHVLOKHSA-N 1 1 197.278 1.590 10 0 ADAEMO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 885979566 583488965 /nfs/dbraw/zinc/48/89/65/583488965.db2.gz GUFQOYAWNXWXAC-GRYCIOLGSA-N 1 1 195.306 1.755 10 0 ADAEMO C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]12CCOC2 886028756 583489020 /nfs/dbraw/zinc/48/90/20/583489020.db2.gz WBAANLMZYBKPGQ-WOPDTQHZSA-N 1 1 195.306 1.897 10 0 ADAEMO C[C@@H]1CCC[N@H+]1C[C@H]1C[C@]12CCOC2 886028755 583489085 /nfs/dbraw/zinc/48/90/85/583489085.db2.gz WBAANLMZYBKPGQ-UTUOFQBUSA-N 1 1 195.306 1.897 10 0 ADAEMO C[N@@H+](C[C@@H]1C[C@@]12CCOC2)C1CC1 885956812 583489179 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583491257 /nfs/dbraw/zinc/49/12/57/583491257.db2.gz VYOYSEXWCFSRPY-HQZHTGGTSA-N 1 1 185.267 1.622 10 0 ADAEMO C1=CC[N@@H+](C[C@H]2C[C@@]23CCOC3)CC1 886118609 583491424 /nfs/dbraw/zinc/49/14/24/583491424.db2.gz LTQWEBXXIIWPDC-VXGBXAGGSA-N 1 1 193.290 1.675 10 0 ADAEMO C1=CC[N@@H+](C[C@@H]2C[C@]23CCOC3)CC1 886118608 583491750 /nfs/dbraw/zinc/49/17/50/583491750.db2.gz LTQWEBXXIIWPDC-RYUDHWBXSA-N 1 1 193.290 1.675 10 0 ADAEMO C/C=C/C[C@H]([NH3+])C(=O)OC(C)(C)C 136838441 583491905 /nfs/dbraw/zinc/49/19/05/583491905.db2.gz VYOYSEXWCFSRPY-GJIOHYHPSA-N 1 1 185.267 1.622 10 0 ADAEMO C1=CC[N@@H+](C[C@H]2C[C@]23CCOC3)CC1 886118606 583492027 /nfs/dbraw/zinc/49/20/27/583492027.db2.gz LTQWEBXXIIWPDC-NEPJUHHUSA-N 1 1 193.290 1.675 10 0 ADAEMO C1=CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC1 886118607 583492034 /nfs/dbraw/zinc/49/20/34/583492034.db2.gz LTQWEBXXIIWPDC-NWDGAFQWSA-N 1 1 193.290 1.675 10 0 ADAEMO CC[N@H+]1CCNCCC1(C)C 218636155 583492926 /nfs/dbraw/zinc/49/29/26/583492926.db2.gz 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CCC[C@@H]1C[C@H]1[NH2+]Cc1n[nH]cc1C 308721236 491117987 /nfs/dbraw/zinc/11/79/87/491117987.db2.gz DHFALNXPTADISD-NXEZZACHSA-N 1 1 193.294 1.996 10 0 ADAEMO CCC[C@H]1C[C@@H]1[NH2+]Cc1n[nH]cc1C 308721241 491117997 /nfs/dbraw/zinc/11/79/97/491117997.db2.gz DHFALNXPTADISD-UWVGGRQHSA-N 1 1 193.294 1.996 10 0 ADAEMO CCC[C@H]1C[C@H]1[NH2+]Cc1n[nH]cc1C 308721246 491118027 /nfs/dbraw/zinc/11/80/27/491118027.db2.gz DHFALNXPTADISD-VHSXEESVSA-N 1 1 193.294 1.996 10 0 ADAEMO CCC[C@@H]1C[C@@H]1[NH2+]Cc1n[nH]cc1C 308721491 491118067 /nfs/dbraw/zinc/11/80/67/491118067.db2.gz DHFALNXPTADISD-ZJUUUORDSA-N 1 1 193.294 1.996 10 0 ADAEMO Cc1c[nH]nc1C[NH2+]CC1(C)CCC1 308744153 491118695 /nfs/dbraw/zinc/11/86/95/491118695.db2.gz QIDVTOOHARTIJZ-UHFFFAOYSA-N 1 1 193.294 1.998 10 0 ADAEMO CC[C@H](C)[C@H](O)C[NH2+]Cc1cocn1 308758664 491118905 /nfs/dbraw/zinc/11/89/05/491118905.db2.gz XCYIWHJMHPXXJX-WCBMZHEXSA-N 1 1 198.266 1.171 10 0 ADAEMO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cocn1 308758670 491118926 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HMGOXKBIYGIEJN-SECBINFHSA-N 1 1 191.278 1.900 10 0 ADAEMO Cc1cccc(N2CCC(=O)CC2)[nH+]1 37670420 132188540 /nfs/dbraw/zinc/18/85/40/132188540.db2.gz FWDMBAOQIUBZOE-UHFFFAOYSA-N 1 1 190.246 1.559 10 0 ADAEMO C[C@H]1CC[N@@H+](C)c2[nH]c(=O)ccc21 39216443 132189333 /nfs/dbraw/zinc/18/93/33/132189333.db2.gz QVVWRBAFCQALAU-ZETCQYMHSA-N 1 1 178.235 1.318 10 0 ADAEMO C[C@@H]1CC[N@@H+](C)c2[nH]c(=O)ccc21 39216442 132189452 /nfs/dbraw/zinc/18/94/52/132189452.db2.gz QVVWRBAFCQALAU-SSDOTTSWSA-N 1 1 178.235 1.318 10 0 ADAEMO CC(=O)N1CC(=[NH2+])Nc2ccccc21 39126078 132189615 /nfs/dbraw/zinc/18/96/15/132189615.db2.gz SDCHDAAFIWBNDC-UHFFFAOYSA-N 1 1 189.218 1.442 10 0 ADAEMO Cc1ccc[nH+]c1N1CCC(O)CC1 51041356 132191911 /nfs/dbraw/zinc/19/19/11/132191911.db2.gz INGYEPPNPIPOHH-UHFFFAOYSA-N 1 1 192.262 1.351 10 0 ADAEMO Cc1ccc[nH+]c1N1CCC[C@@H](O)C1 51041355 132192055 /nfs/dbraw/zinc/19/20/55/132192055.db2.gz ZIEAOJQLFNYDFB-SNVBAGLBSA-N 1 1 192.262 1.351 10 0 ADAEMO Cc1ccc[nH+]c1N1CCC[C@H](O)C1 51041354 132192142 /nfs/dbraw/zinc/19/21/42/132192142.db2.gz ZIEAOJQLFNYDFB-JTQLQIEISA-N 1 1 192.262 1.351 10 0 ADAEMO CNc1cc[nH+]c(N2CCCCC2)n1 50852738 132192303 /nfs/dbraw/zinc/19/23/03/132192303.db2.gz SMNWQVHURFGDHD-UHFFFAOYSA-N 1 1 192.266 1.509 10 0 ADAEMO CC[C@H]([NH3+])C(=O)c1ccco1 235787 342932009 /nfs/dbraw/zinc/93/20/09/342932009.db2.gz HGLMKXXXMJEHDH-LURJTMIESA-N 1 1 153.181 1.200 10 0 ADAEMO CCCCNc1cc(=S)[nH]c(N)n1 1670215 342956025 /nfs/dbraw/zinc/95/60/25/342956025.db2.gz AWZDAXGSRGUSGX-UHFFFAOYSA-N 1 1 198.295 1.933 10 0 ADAEMO Cc1cc(C[NH+]2CCCCC2)no1 2040146 342968567 /nfs/dbraw/zinc/96/85/67/342968567.db2.gz GTRKKZIHGWOERP-UHFFFAOYSA-N 1 1 180.251 1.969 10 0 ADAEMO CC(C)[N@@H+]1C[C@@H](O)C[C@@H](C)C1 4343930 342991017 /nfs/dbraw/zinc/99/10/17/342991017.db2.gz PFGQYPYZESSRNC-BDAKNGLRSA-N 1 1 157.257 1.098 10 0 ADAEMO CC(C)[N@H+]1C[C@H](C)C[C@@H](O)C1 4343931 342991057 /nfs/dbraw/zinc/99/10/57/342991057.db2.gz PFGQYPYZESSRNC-RKDXNWHRSA-N 1 1 157.257 1.098 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1ccc[nH]1 4900698 342996876 /nfs/dbraw/zinc/99/68/76/342996876.db2.gz BSNFRFHDDGCRMB-SECBINFHSA-N 1 1 150.225 1.781 10 0 ADAEMO CC(C)[C@@H]1CCC[N@H+]1C 5457499 343003145 /nfs/dbraw/zinc/00/31/45/343003145.db2.gz BYSFOADOCJNCMQ-QMMMGPOBSA-N 1 1 127.231 1.737 10 0 ADAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CCO)C1 5599120 343005556 /nfs/dbraw/zinc/00/55/56/343005556.db2.gz SBOAJQAJMGHSTF-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO C[N@H+]1CC[C@@H](CO)[C@@H]1c1cccnc1 6570729 343015457 /nfs/dbraw/zinc/01/54/57/343015457.db2.gz JJGXQIZRJPRSOS-QWRGUYRKSA-N 1 1 192.262 1.067 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@H](O)c2cccnc2)C1 6712503 343016076 /nfs/dbraw/zinc/01/60/76/343016076.db2.gz QSINNZHLMQZOOX-GHMZBOCLSA-N 1 1 192.262 1.067 10 0 in-vitro ADAEMO CC(C)Cc1nnc([C@@H](C)[NH3+])o1 11586043 343022985 /nfs/dbraw/zinc/02/29/85/343022985.db2.gz LPKIZZOKKLMPTQ-ZCFIWIBFSA-N 1 1 169.228 1.288 10 0 ADAEMO Cc1ccccc1-c1nnc(C[NH3+])o1 11585607 343023036 /nfs/dbraw/zinc/02/30/36/343023036.db2.gz XPAZROTWZFDDNR-UHFFFAOYSA-N 1 1 189.218 1.504 10 0 ADAEMO CC(C)Cc1nnc([C@H](C)[NH3+])o1 11586044 343023038 /nfs/dbraw/zinc/02/30/38/343023038.db2.gz LPKIZZOKKLMPTQ-LURJTMIESA-N 1 1 169.228 1.288 10 0 ADAEMO C[C@H]([NH3+])c1nnc(-c2ccco2)o1 11586056 343023077 /nfs/dbraw/zinc/02/30/77/343023077.db2.gz MASQSDGVXPJJIX-YFKPBYRVSA-N 1 1 179.179 1.349 10 0 ADAEMO C[C@H]1CCc2[nH+]ccn2C1 18554782 343048883 /nfs/dbraw/zinc/04/88/83/343048883.db2.gz SPWPDBBFHMVOHM-ZETCQYMHSA-N 1 1 136.198 1.465 10 0 ADAEMO CC[C@H](C[NH3+])N(CC)CC 19256282 343051955 /nfs/dbraw/zinc/05/19/55/343051955.db2.gz AYPLAHCOPKQQEG-MRVPVSSYSA-N 1 1 144.262 1.066 10 0 ADAEMO CC[C@@H](C[NH3+])N(CC)CC 19256280 343051998 /nfs/dbraw/zinc/05/19/98/343051998.db2.gz AYPLAHCOPKQQEG-QMMMGPOBSA-N 1 1 144.262 1.066 10 0 ADAEMO CCCC[N@@H+](CC)CC(=O)OC 20361531 343072503 /nfs/dbraw/zinc/07/25/03/343072503.db2.gz RCIQBAJROFTPNR-UHFFFAOYSA-N 1 1 173.256 1.281 10 0 ADAEMO Cc1[nH+]ccn1-c1ccc(N)c(F)c1 21987611 343077158 /nfs/dbraw/zinc/07/71/58/343077158.db2.gz FYPWCYYDNHFMPL-UHFFFAOYSA-N 1 1 191.209 1.902 10 0 ADAEMO CN1CC[C@@H](C[NH3+])[C@@H]1c1cccnc1 22048584 343077947 /nfs/dbraw/zinc/07/79/47/343077947.db2.gz IUMCSWXAFXSTAI-GXSJLCMTSA-N 1 1 191.278 1.033 10 0 in-vitro ADAEMO C[N@H+]1CC[C@H]([C@@H](O)c2cccnc2)C1 22063430 343078476 /nfs/dbraw/zinc/07/84/76/343078476.db2.gz QSINNZHLMQZOOX-QWRGUYRKSA-N 1 1 192.262 1.067 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1CCCCC[C@@H]1N 22565001 343081889 /nfs/dbraw/zinc/08/18/89/343081889.db2.gz VGIPBSKEZVRKSA-QWRGUYRKSA-N 1 1 184.327 1.987 10 0 ADAEMO CC(C)N(C)[C@H]1CCCCC[C@@H]1[NH3+] 22565001 343081890 /nfs/dbraw/zinc/08/18/90/343081890.db2.gz VGIPBSKEZVRKSA-QWRGUYRKSA-N 1 1 184.327 1.987 10 0 ADAEMO CC[C@@H]([NH3+])[C@@H](C)N1CCC(C)CC1 22565983 343081903 /nfs/dbraw/zinc/08/19/03/343081903.db2.gz CIGMXBLUVYEWLP-GHMZBOCLSA-N 1 1 184.327 1.844 10 0 ADAEMO C[NH+](C)[C@@H]1Cc2ccccc2[C@@H]1N 22564755 343081915 /nfs/dbraw/zinc/08/19/15/343081915.db2.gz LVZOLPHITQKEFS-MNOVXSKESA-N 1 1 176.263 1.173 10 0 ADAEMO CC[C@@H]([NH3+])[C@H](C)N1CCC(C)CC1 22565993 343081960 /nfs/dbraw/zinc/08/19/60/343081960.db2.gz CIGMXBLUVYEWLP-WDEREUQCSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1CCC[C@@H]1N 23071415 343083400 /nfs/dbraw/zinc/08/34/00/343083400.db2.gz YORPHHGTTYKTCX-IUCAKERBSA-N 1 1 156.273 1.206 10 0 ADAEMO CC(C)N(C)[C@H]1CCC[C@@H]1[NH3+] 23071415 343083401 /nfs/dbraw/zinc/08/34/01/343083401.db2.gz YORPHHGTTYKTCX-IUCAKERBSA-N 1 1 156.273 1.206 10 0 ADAEMO CN(C)[C@@H]1CCCCCC[C@@H]1[NH3+] 23069263 343083410 /nfs/dbraw/zinc/08/34/10/343083410.db2.gz MFJRDIFRRNSDQH-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO CN(C)[C@@H]1CCCCC[C@@H]1[NH3+] 23070439 343083429 /nfs/dbraw/zinc/08/34/29/343083429.db2.gz HXBCNYLGCAGTHL-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@H]1CCOCC[N@H+]1C 23699163 343083918 /nfs/dbraw/zinc/08/39/18/343083918.db2.gz DGZAMPGXJSSUAO-MRVPVSSYSA-N 1 1 143.230 1.117 10 0 ADAEMO CC[C@@H]1COCCC[N@H+]1C 23699207 343083925 /nfs/dbraw/zinc/08/39/25/343083925.db2.gz HKVWLMAPQZLREQ-MRVPVSSYSA-N 1 1 143.230 1.117 10 0 ADAEMO CC[C@H]1COCCC[N@H+]1C 23699209 343083956 /nfs/dbraw/zinc/08/39/56/343083956.db2.gz HKVWLMAPQZLREQ-QMMMGPOBSA-N 1 1 143.230 1.117 10 0 ADAEMO CC[C@@H]1C[N@H+](C2CCCC2)CCN1 23477001 343083983 /nfs/dbraw/zinc/08/39/83/343083983.db2.gz STJRKDPJWDKWSD-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@@H]1CN(C2CCCC2)CC[NH2+]1 23477001 343083984 /nfs/dbraw/zinc/08/39/84/343083984.db2.gz STJRKDPJWDKWSD-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[N@H+]1CCOCC[C@@H]1C 23699240 343083988 /nfs/dbraw/zinc/08/39/88/343083988.db2.gz YDYVHZJXRKIZGB-QMMMGPOBSA-N 1 1 143.230 1.117 10 0 ADAEMO CC[C@H]1C[N@H+](C2CCCC2)CCN1 23477002 343084006 /nfs/dbraw/zinc/08/40/06/343084006.db2.gz STJRKDPJWDKWSD-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@H]1CN(C2CCCC2)CC[NH2+]1 23477002 343084007 /nfs/dbraw/zinc/08/40/07/343084007.db2.gz STJRKDPJWDKWSD-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CCOC(=O)[C@H]1CCCCC[N@H+]1C 32136180 343098109 /nfs/dbraw/zinc/09/81/09/343098109.db2.gz WDEKGIHZFOSLJT-SECBINFHSA-N 1 1 185.267 1.424 10 0 ADAEMO Cc1ccc2c(c1)C[NH+]=CN2 32915183 343103907 /nfs/dbraw/zinc/10/39/07/343103907.db2.gz IABWOGLOHAEUJL-UHFFFAOYSA-N 1 1 146.193 1.758 10 0 ADAEMO C[N@H+]1CCC[C@@H]1C(=O)C(C)(C)C 34179584 343112754 /nfs/dbraw/zinc/11/27/54/343112754.db2.gz YHJUWSGGINNOKZ-MRVPVSSYSA-N 1 1 169.268 1.696 10 0 ADAEMO C[N@H+]1CCc2cccc(N)c2C1 34079954 343109874 /nfs/dbraw/zinc/10/98/74/343109874.db2.gz PXAVAZKTFFJJEU-UHFFFAOYSA-N 1 1 162.236 1.257 10 0 ADAEMO CC[N@@H+](Cc1ccccc1)[C@H](C)CO 34274446 343115358 /nfs/dbraw/zinc/11/53/58/343115358.db2.gz SKQUJQXYLWSZIG-LLVKDONJSA-N 1 1 193.290 1.889 10 0 ADAEMO CCCC(=O)O[C@@H]1CCC[N@@H+](C)C1 34278715 343115813 /nfs/dbraw/zinc/11/58/13/343115813.db2.gz KWCXBLLZBQWZBD-SECBINFHSA-N 1 1 185.267 1.424 10 0 ADAEMO NC(=[NH2+])c1cc2ccc(F)cc2o1 34556835 343121751 /nfs/dbraw/zinc/12/17/51/343121751.db2.gz FDXJGRRBRCFNAK-UHFFFAOYSA-N 1 1 178.166 1.856 10 0 ADAEMO CN(C)C(=O)CC[C@H]1CCCC[N@H+]1C 34638761 343124063 /nfs/dbraw/zinc/12/40/63/343124063.db2.gz BEEXHISMWOMUBV-SNVBAGLBSA-N 1 1 198.310 1.339 10 0 ADAEMO CC(C)[N@H+]1CCc2[nH]c(=O)sc2C1 34669828 343124118 /nfs/dbraw/zinc/12/41/18/343124118.db2.gz AOPIAVXEJCGABM-UHFFFAOYSA-N 1 1 198.291 1.203 10 0 ADAEMO C[N@@H+]1CCc2[nH]c(=S)sc2C1 34760009 343124766 /nfs/dbraw/zinc/12/47/66/343124766.db2.gz RBCZJSSIKZVJFN-UHFFFAOYSA-N 1 1 186.305 1.420 10 0 ADAEMO C[N@H+]1CCc2[nH]c(=S)sc2C1 34760009 343124767 /nfs/dbraw/zinc/12/47/67/343124767.db2.gz RBCZJSSIKZVJFN-UHFFFAOYSA-N 1 1 186.305 1.420 10 0 ADAEMO C[C@H]1CCC[N@H+]([C@@](C)(CN)C2CC2)C1 35659442 343135983 /nfs/dbraw/zinc/13/59/83/343135983.db2.gz GRACRYRFRFIHCX-JQWIXIFHSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1CCCC[N@H+]1[C@@](C)(CN)C1CC1 35659433 343135992 /nfs/dbraw/zinc/13/59/92/343135992.db2.gz ZYMRFYGLUPOSFB-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CC(C)(C)C[C@@]([NH3+])(CN)C1 35676990 343136517 /nfs/dbraw/zinc/13/65/17/343136517.db2.gz NWZNUCYILWHXJI-WCBMZHEXSA-N 1 1 170.300 1.489 10 0 ADAEMO C[C@H]1CC(C)(C)C[C@]([NH3+])(CN)C1 35676988 343136520 /nfs/dbraw/zinc/13/65/20/343136520.db2.gz NWZNUCYILWHXJI-WPRPVWTQSA-N 1 1 170.300 1.489 10 0 ADAEMO C[N@H+]1CCC[C@H]1CCC1OCCCO1 35274732 343130803 /nfs/dbraw/zinc/13/08/03/343130803.db2.gz NFOXOOFAVLABDA-JTQLQIEISA-N 1 1 199.294 1.624 10 0 ADAEMO CC[C@@H]1CCC[N@@H+](C2CCNCC2)C1 36169804 343141102 /nfs/dbraw/zinc/14/11/02/343141102.db2.gz GWDANJNYJAQDQR-LLVKDONJSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H]1CCC[N@H+](C2CCNCC2)C1 36169804 343141103 /nfs/dbraw/zinc/14/11/03/343141103.db2.gz GWDANJNYJAQDQR-LLVKDONJSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1CCC[N@@H+](C2CCNCC2)C1 36169805 343141110 /nfs/dbraw/zinc/14/11/10/343141110.db2.gz GWDANJNYJAQDQR-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1CCC[N@H+](C2CCNCC2)C1 36169805 343141111 /nfs/dbraw/zinc/14/11/11/343141111.db2.gz GWDANJNYJAQDQR-NSHDSACASA-N 1 1 196.338 1.860 10 0 ADAEMO 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1.599 10 0 ADAEMO CC(C)c1[nH+]ccn1[C@H](C)[C@H](C)O 44184796 343261889 /nfs/dbraw/zinc/26/18/89/343261889.db2.gz VUQBSZDUDWAAIO-BDAKNGLRSA-N 1 1 182.267 1.948 10 0 ADAEMO CCC[N@@H+](C)[C@H](C)C(N)=S 44427281 343265422 /nfs/dbraw/zinc/26/54/22/343265422.db2.gz ZJQKNOOGQRVCCI-ZCFIWIBFSA-N 1 1 160.286 1.003 10 0 ADAEMO CC(=O)CC[N@@H+]1C[C@H](C)OC(C)(C)C1 44477861 343266158 /nfs/dbraw/zinc/26/61/58/343266158.db2.gz MBYMDSHMHBCARR-JTQLQIEISA-N 1 1 199.294 1.465 10 0 ADAEMO Cc1[nH]c2ccccc2c1[C@@H](N)C[NH3+] 44471690 343266161 /nfs/dbraw/zinc/26/61/61/343266161.db2.gz VTOGUIVCBBKPOJ-VIFPVBQESA-N 1 1 189.262 1.435 10 0 ADAEMO Cc1cccc2c([C@@H](N)C[NH3+])c[nH]c12 44472655 343266172 /nfs/dbraw/zinc/26/61/72/343266172.db2.gz XWWUWRVFBDVKBI-JTQLQIEISA-N 1 1 189.262 1.435 10 0 ADAEMO Cc1[nH]c2ccccc2c1[C@H](N)C[NH3+] 44471687 343266176 /nfs/dbraw/zinc/26/61/76/343266176.db2.gz VTOGUIVCBBKPOJ-SECBINFHSA-N 1 1 189.262 1.435 10 0 ADAEMO Cc1cc(F)ccc1[C@@H]([NH3+])CN 44470795 343266186 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C[C@@H]1CC[N@H+]([C@@H]2CCCNC2)[C@H](C)C1 51732092 343292672 /nfs/dbraw/zinc/29/26/72/343292672.db2.gz GHHZDUMDNYTALR-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C 51733909 343292909 /nfs/dbraw/zinc/29/29/09/343292909.db2.gz WUFDYOQPUVVXFI-DTWKUNHWSA-N 1 1 169.268 1.696 10 0 ADAEMO C[N@@H+](CCCCCO)CC1CC1 51019878 343287917 /nfs/dbraw/zinc/28/79/17/343287917.db2.gz JZEJMMNRZDIPGZ-UHFFFAOYSA-N 1 1 171.284 1.491 10 0 ADAEMO Cc1cccnc1N[C@H]1CC[N@H+](C)C1 51041068 343288249 /nfs/dbraw/zinc/28/82/49/343288249.db2.gz MXTMHMFWQWWWEE-JTQLQIEISA-N 1 1 191.278 1.506 10 0 ADAEMO Cc1ccc[nH+]c1NC[C@@H]1CCCO1 51040884 343288324 /nfs/dbraw/zinc/28/83/24/343288324.db2.gz FBWMFPHQNSSDHY-JTQLQIEISA-N 1 1 192.262 1.981 10 0 ADAEMO Cc1ccc[nH+]c1NC(C)(C)C(N)=O 51041047 343288339 /nfs/dbraw/zinc/28/83/39/343288339.db2.gz TUHHAAFSCMJYJN-UHFFFAOYSA-N 1 1 193.250 1.066 10 0 ADAEMO Cc1ccc(N(C)C[C@@H](C)O)[nH+]c1 51821229 343294228 /nfs/dbraw/zinc/29/42/28/343294228.db2.gz 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169.253 1.036 10 0 ADAEMO C[C@H]1C[C@H]1N1CC[NH2+][C@H](C)CC1 52298978 343305334 /nfs/dbraw/zinc/30/53/34/343305334.db2.gz RUOWRCVSSDBPQN-IVZWLZJFSA-N 1 1 168.284 1.079 10 0 ADAEMO Cc1cc(C[NH+]2CCCC2)oc1CN 52377449 343305981 /nfs/dbraw/zinc/30/59/81/343305981.db2.gz XGBCDKPTOJORGE-UHFFFAOYSA-N 1 1 194.278 1.643 10 0 ADAEMO C[C@H]1C[C@H]1Nc1ccc(N)[nH+]c1 52273719 343303722 /nfs/dbraw/zinc/30/37/22/343303722.db2.gz WKPJAWSCGMGRAJ-POYBYMJQSA-N 1 1 163.224 1.484 10 0 ADAEMO C[C@H]1C[C@@H]1Nc1ccc(N)[nH+]c1 52273715 343303773 /nfs/dbraw/zinc/30/37/73/343303773.db2.gz WKPJAWSCGMGRAJ-XPUUQOCRSA-N 1 1 163.224 1.484 10 0 ADAEMO C[C@H]1C[C@H]1[NH2+]CC(F)F 52288038 343304107 /nfs/dbraw/zinc/30/41/07/343304107.db2.gz SGOMASDZSVRKHK-CRCLSJGQSA-N 1 1 135.157 1.250 10 0 ADAEMO C[C@H]1C[C@H]1[N@H+]1CCC(=O)[C@H](C)C1 52288688 343304143 /nfs/dbraw/zinc/30/41/43/343304143.db2.gz MOYYSAYPIPYUEA-DJLDLDEBSA-N 1 1 167.252 1.306 10 0 ADAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@H]1C[C@H]1C 52289027 343304152 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/nfs/dbraw/zinc/35/66/74/343356674.db2.gz YEOLZGDPJFTTRQ-YFKPBYRVSA-N 1 1 155.201 1.042 10 0 ADAEMO CC1CCC([N@H+](C)[C@H](C)C(N)=O)CC1 61679394 343359520 /nfs/dbraw/zinc/35/95/20/343359520.db2.gz HZRRSBFKQRXEJN-HWOCKDDLSA-N 1 1 198.310 1.371 10 0 ADAEMO CC(C)c1[nH+]ccn1[C@H](C)C(N)=O 61679554 343359824 /nfs/dbraw/zinc/35/98/24/343359824.db2.gz ZCQRTSPHWCMGDE-SSDOTTSWSA-N 1 1 181.239 1.053 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)N1CCC(C)(C)CC1 61819474 343364663 /nfs/dbraw/zinc/36/46/63/343364663.db2.gz JILJVENCLCLHME-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC(=O)C[N@H+]1CCCO[C@@H](C)C1 61919807 343367630 /nfs/dbraw/zinc/36/76/30/343367630.db2.gz JZYOKXOYZSJCTL-VIFPVBQESA-N 1 1 185.267 1.076 10 0 ADAEMO C[N@H+]1CC[C@](O)(Cc2ccccc2)C1 61987697 343368519 /nfs/dbraw/zinc/36/85/19/343368519.db2.gz BRIWHPAJCKTPIP-LBPRGKRZSA-N 1 1 191.274 1.296 10 0 ADAEMO O[C@]1(C2CCCC2)CC[N@H+](C2CC2)C1 61988420 343368710 /nfs/dbraw/zinc/36/87/10/343368710.db2.gz ALRFJHTWCHOFBS-GFCCVEGCSA-N 1 1 195.306 1.776 10 0 ADAEMO O[C@]1(C(F)(F)F)CC[N@H+](C2CC2)C1 61992252 343369429 /nfs/dbraw/zinc/36/94/29/343369429.db2.gz MJXZGUVKGJCBEZ-SSDOTTSWSA-N 1 1 195.184 1.148 10 0 ADAEMO CCc1n[nH]c([C@@]2(C)CCC[NH2+]C2)n1 62872555 343384262 /nfs/dbraw/zinc/38/42/62/343384262.db2.gz LSTTWNICHQKRJJ-JTQLQIEISA-N 1 1 194.282 1.008 10 0 ADAEMO CCC[C@]1(c2nc(C)n[nH]2)CC[NH2+]C1 62920529 343385096 /nfs/dbraw/zinc/38/50/96/343385096.db2.gz VFVRJOIAGJUQBG-JTQLQIEISA-N 1 1 194.282 1.144 10 0 ADAEMO CCCC[N@H+]1CCNCC[C@H]1C 62566644 343375400 /nfs/dbraw/zinc/37/54/00/343375400.db2.gz ZISJXYJXBZPSJL-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO CC(C)[C@@H]1C[N@H+]2CCCC[C@@H]2CN1 62566907 343375607 /nfs/dbraw/zinc/37/56/07/343375607.db2.gz KSQKZPHMTMNDPT-MNOVXSKESA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[N@H+]1C[C@@H](C)NCC1(C)C 62566537 343375667 /nfs/dbraw/zinc/37/56/67/343375667.db2.gz KTPZVJWTPXPRJQ-SECBINFHSA-N 1 1 170.300 1.467 10 0 ADAEMO CC(C)N1C[C@@H](C)[NH2+]CC1(C)C 62566537 343375669 /nfs/dbraw/zinc/37/56/69/343375669.db2.gz KTPZVJWTPXPRJQ-SECBINFHSA-N 1 1 170.300 1.467 10 0 ADAEMO CC[C@H](C)[N@H+]1CCNC[C@@H]1C(C)C 62567144 343376014 /nfs/dbraw/zinc/37/60/14/343376014.db2.gz INNDOBSFWRYBGQ-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@@H]1C[N@H+](C(C)C)CCCN1 62567187 343376067 /nfs/dbraw/zinc/37/60/67/343376067.db2.gz JQLOXALVNUOTSZ-NSHDSACASA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@@H]1CN(C(C)C)CCC[NH2+]1 62567187 343376069 /nfs/dbraw/zinc/37/60/69/343376069.db2.gz JQLOXALVNUOTSZ-NSHDSACASA-N 1 1 184.327 1.715 10 0 ADAEMO C[NH2+]Cc1c[nH]c(-c2ccsc2)n1 62820943 343382753 /nfs/dbraw/zinc/38/27/53/343382753.db2.gz ZNZIDTKUVSGDDM-UHFFFAOYSA-N 1 1 193.275 1.858 10 0 ADAEMO C[NH2+]Cc1c[nH]c(-c2cccnc2)n1 62820919 343382883 /nfs/dbraw/zinc/38/28/83/343382883.db2.gz AAOFYDMWSJEMRL-UHFFFAOYSA-N 1 1 188.234 1.191 10 0 ADAEMO CCc1nc(C2(C)CC[NH2+]CC2)n[nH]1 62843435 343383055 /nfs/dbraw/zinc/38/30/55/343383055.db2.gz YVFPBGASAZRBDC-UHFFFAOYSA-N 1 1 194.282 1.008 10 0 ADAEMO CC(=[NH2+])NCCN1CCCCC1 62987383 343390832 /nfs/dbraw/zinc/39/08/32/343390832.db2.gz WMEKWQCRBXUSJW-UHFFFAOYSA-N 1 1 169.272 1.059 10 0 ADAEMO CC(=[NH2+])NC[C@H]1CCCCN1C 62987394 343390837 /nfs/dbraw/zinc/39/08/37/343390837.db2.gz DFKFDJBBALFTCI-SECBINFHSA-N 1 1 169.272 1.057 10 0 ADAEMO CCC(=[NH2+])NC[C@@H]1CCCCN1C 62992196 343394519 /nfs/dbraw/zinc/39/45/19/343394519.db2.gz LZXXJAFVJDRREY-VIFPVBQESA-N 1 1 183.299 1.448 10 0 ADAEMO CCC(=[NH2+])NC[C@H]1CCCCN1C 62992197 343394582 /nfs/dbraw/zinc/39/45/82/343394582.db2.gz LZXXJAFVJDRREY-SECBINFHSA-N 1 1 183.299 1.448 10 0 ADAEMO CCC(=[NH2+])N[C@@H]1CCCN(CC)C1 62992154 343394587 /nfs/dbraw/zinc/39/45/87/343394587.db2.gz MZHULKFSEICVBQ-SECBINFHSA-N 1 1 183.299 1.448 10 0 ADAEMO CC(C)(C)NC(=[NH2+])c1cnccn1 62994908 343395972 /nfs/dbraw/zinc/39/59/72/343395972.db2.gz PPSSPSADKANEPZ-UHFFFAOYSA-N 1 1 178.239 1.190 10 0 ADAEMO CN[C@@H](C)C[N@H+]1CCCC1(C)C 63066795 343399627 /nfs/dbraw/zinc/39/96/27/343399627.db2.gz MPPOSAAOYQWTGA-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO C[C@H](N)[C@H](C)[N@H+]1CCCC1(C)C 63066946 343399633 /nfs/dbraw/zinc/39/96/33/343399633.db2.gz NKLKVJNILKLKHZ-IUCAKERBSA-N 1 1 170.300 1.597 10 0 ADAEMO CCn1ccnc1N[C@H]1CCC[C@@H]1[NH3+] 63177007 343404831 /nfs/dbraw/zinc/40/48/31/343404831.db2.gz LTGPEDZVDAJLDW-IUCAKERBSA-N 1 1 194.282 1.195 10 0 ADAEMO CCn1ccnc1N[C@@H]1CCC[C@@H]1[NH3+] 63177005 343404854 /nfs/dbraw/zinc/40/48/54/343404854.db2.gz LTGPEDZVDAJLDW-DTWKUNHWSA-N 1 1 194.282 1.195 10 0 ADAEMO CCn1ccnc1N[C@@H]1CCC[C@H]1[NH3+] 63177009 343404859 /nfs/dbraw/zinc/40/48/59/343404859.db2.gz LTGPEDZVDAJLDW-RKDXNWHRSA-N 1 1 194.282 1.195 10 0 ADAEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H](C)N 63191860 343405494 /nfs/dbraw/zinc/40/54/94/343405494.db2.gz GRFPZQBPDJZLGF-HBNTYKKESA-N 1 1 184.327 1.987 10 0 ADAEMO CC(C)[N@H+]1CCCC[C@H]1[C@@H](C)N 63191349 343405594 /nfs/dbraw/zinc/40/55/94/343405594.db2.gz WVPJZRBLAZJHHI-ZJUUUORDSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[N@@H+]1CCN[C@@H](C(C)(C)C)C1 68692733 343412780 /nfs/dbraw/zinc/41/27/80/343412780.db2.gz HBWDUCNBVVBENZ-SECBINFHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[N@H+]1CCN[C@@H](C(C)(C)C)C1 68692733 343412781 /nfs/dbraw/zinc/41/27/81/343412781.db2.gz HBWDUCNBVVBENZ-SECBINFHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C 68695276 343412785 /nfs/dbraw/zinc/41/27/85/343412785.db2.gz LGIATZZGIWLIFO-ZJUUUORDSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1C 68695276 343412786 /nfs/dbraw/zinc/41/27/86/343412786.db2.gz LGIATZZGIWLIFO-ZJUUUORDSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[N@H+]1C[C@@H](C)NC[C@@H]1C1CC1 68697765 343412793 /nfs/dbraw/zinc/41/27/93/343412793.db2.gz BOPQMFMXAVLMEN-PSASIEDQSA-N 1 1 168.284 1.079 10 0 ADAEMO CCN1C[C@@H](C)[NH2+]C[C@@H]1C1CC1 68697765 343412794 /nfs/dbraw/zinc/41/27/94/343412794.db2.gz BOPQMFMXAVLMEN-PSASIEDQSA-N 1 1 168.284 1.079 10 0 ADAEMO Cc1[nH+]ccn1C1CCOCC1 68958775 343418066 /nfs/dbraw/zinc/41/80/66/343418066.db2.gz OPESHVXVDUZHNK-UHFFFAOYSA-N 1 1 166.224 1.543 10 0 ADAEMO Cn1cc[nH+]c1[C@H]1CCCCC[C@@H]1O 69030006 343422856 /nfs/dbraw/zinc/42/28/56/343422856.db2.gz OYYNEPCIHYZPBI-UWVGGRQHSA-N 1 1 194.278 1.829 10 0 ADAEMO [NH3+][C@@H](c1ccsc1)c1cnccn1 69049169 343423883 /nfs/dbraw/zinc/42/38/83/343423883.db2.gz CBEMVZTXGVVWKB-VIFPVBQESA-N 1 1 191.259 1.586 10 0 ADAEMO CC[C@H](C)[C@@H]1CN[C@H](C)C[N@H+]1CC 68697886 343412808 /nfs/dbraw/zinc/41/28/08/343412808.db2.gz ACLKHKCSXTWYGH-AXFHLTTASA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)[C@@H]1C[NH2+][C@H](C)CN1CC 68697886 343412809 /nfs/dbraw/zinc/41/28/09/343412809.db2.gz ACLKHKCSXTWYGH-AXFHLTTASA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C 68695280 343412811 /nfs/dbraw/zinc/41/28/11/343412811.db2.gz LGIATZZGIWLIFO-NXEZZACHSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1C 68695280 343412812 /nfs/dbraw/zinc/41/28/12/343412812.db2.gz LGIATZZGIWLIFO-NXEZZACHSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[C@@H]1C[N@H+](C(C)C)CCN1 68692402 343412814 /nfs/dbraw/zinc/41/28/14/343412814.db2.gz FDCAQXFCSLLAGV-SECBINFHSA-N 1 1 156.273 1.079 10 0 ADAEMO CC[C@@H]1CN(C(C)C)CC[NH2+]1 68692402 343412815 /nfs/dbraw/zinc/41/28/15/343412815.db2.gz FDCAQXFCSLLAGV-SECBINFHSA-N 1 1 156.273 1.079 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](O)COC 68891049 343413211 /nfs/dbraw/zinc/41/32/11/343413211.db2.gz AMGWTMWIUBNBGY-ZJUUUORDSA-N 1 1 189.299 1.114 10 0 ADAEMO CCCC[N@@H+](CC)C[C@H](O)COC 68890968 343413228 /nfs/dbraw/zinc/41/32/28/343413228.db2.gz GAWJWQIVJDPTCH-JTQLQIEISA-N 1 1 189.299 1.116 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1C[C@H](N)C1CC1 68894705 343413715 /nfs/dbraw/zinc/41/37/15/343413715.db2.gz FMIBTBLLZOZFTP-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CCC[N@H+]1C[C@H](N)C1CC1 68894705 343413716 /nfs/dbraw/zinc/41/37/16/343413716.db2.gz FMIBTBLLZOZFTP-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1CCC[N@@H+](CC(=O)C2CC2)C1 68894113 343413722 /nfs/dbraw/zinc/41/37/22/343413722.db2.gz JFTWQCWHOQUGNB-VIFPVBQESA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@H]1CC[N@@H+](CC(=O)C2CC2)C1 68894718 343413735 /nfs/dbraw/zinc/41/37/35/343413735.db2.gz SNHUOPSJCVMZOH-QMMMGPOBSA-N 1 1 167.252 1.307 10 0 ADAEMO [NH3+][C@@H](CN1CCCCCC1)C1CC1 68893560 343413739 /nfs/dbraw/zinc/41/37/39/343413739.db2.gz ZFDKBLKKBYOVMK-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO Cc1[nH+]ccn1CC(=O)C1CC1 68897743 343413744 /nfs/dbraw/zinc/41/37/44/343413744.db2.gz IWICXWCVWYJADR-UHFFFAOYSA-N 1 1 164.208 1.171 10 0 ADAEMO C[C@@H]1CCC[C@@H](C)N1C[C@H]([NH3+])C1CC1 68893667 343413933 /nfs/dbraw/zinc/41/39/33/343413933.db2.gz OXQFZWMLZQYADI-FOGDFJRCSA-N 1 1 196.338 1.987 10 0 ADAEMO Cc1[nH+]cn(CC(=O)C2CC2)c1C 68900545 343414468 /nfs/dbraw/zinc/41/44/68/343414468.db2.gz YHVZPXUKQBAKAX-UHFFFAOYSA-N 1 1 178.235 1.479 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1C[C@H](O)C1CC1 68907916 343414499 /nfs/dbraw/zinc/41/44/99/343414499.db2.gz JLVZBWLVVIHQLG-KOLCDFICSA-N 1 1 183.295 1.632 10 0 ADAEMO CC(C)=CC[NH+]1[C@@H](C)CNC[C@@H]1C 68914986 343415211 /nfs/dbraw/zinc/41/52/11/343415211.db2.gz DNPKHYAOJSUNTR-QWRGUYRKSA-N 1 1 182.311 1.635 10 0 ADAEMO C/C=C/C[N@@H+]1[C@@H](C)CNC[C@H]1C 68915532 343415719 /nfs/dbraw/zinc/41/57/19/343415719.db2.gz IAPPVEZLXFQWEW-XYBNDFSHSA-N 1 1 168.284 1.245 10 0 ADAEMO C/C=C/C[N@H+]1[C@@H](C)CNC[C@H]1C 68915532 343415720 /nfs/dbraw/zinc/41/57/20/343415720.db2.gz IAPPVEZLXFQWEW-XYBNDFSHSA-N 1 1 168.284 1.245 10 0 ADAEMO CC(C)[C@H](C)CN1CC[NH2+]CC1 69686922 343434578 /nfs/dbraw/zinc/43/45/78/343434578.db2.gz DNYZJUPSBSJJIO-SNVBAGLBSA-N 1 1 170.300 1.184 10 0 ADAEMO CCC(CC)N1CC[C@H](C)[C@H]([NH3+])C1 69718204 343435574 /nfs/dbraw/zinc/43/55/74/343435574.db2.gz NMERVZMPAONJQW-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](N)C1 69718250 343435669 /nfs/dbraw/zinc/43/56/69/343435669.db2.gz NYSCOXZPIXIVIL-GARJFASQSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@H](C)N1CC[C@H](C)[C@H]([NH3+])C1 69718250 343435671 /nfs/dbraw/zinc/43/56/71/343435671.db2.gz NYSCOXZPIXIVIL-GARJFASQSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1CCN(C2CCC2)C[C@@H]1[NH3+] 69718130 343435703 /nfs/dbraw/zinc/43/57/03/343435703.db2.gz VWRSVFNKOKXVKN-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1CCN(C2CCC2)C[C@@H]1[NH3+] 69718131 343435755 /nfs/dbraw/zinc/43/57/55/343435755.db2.gz VWRSVFNKOKXVKN-WPRPVWTQSA-N 1 1 168.284 1.208 10 0 ADAEMO CCCN1CC[C@H](C)[C@H]([NH3+])C1 69718210 343435831 /nfs/dbraw/zinc/43/58/31/343435831.db2.gz SRONFJIUDMTGPX-DTWKUNHWSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H]1CSCC[N@H+]1CC(C)(C)O 69761320 343439774 /nfs/dbraw/zinc/43/97/74/343439774.db2.gz ZUPPEXVHPXBDBH-MRVPVSSYSA-N 1 1 189.324 1.195 10 0 ADAEMO CC(=O)[C@H](C)[N@@H+]1CCSC[C@H]1C 69761212 343439776 /nfs/dbraw/zinc/43/97/76/343439776.db2.gz LLSQGAGSRMMLCE-SFYZADRCSA-N 1 1 187.308 1.401 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1CCSC[C@H]1C 69761212 343439777 /nfs/dbraw/zinc/43/97/77/343439777.db2.gz LLSQGAGSRMMLCE-SFYZADRCSA-N 1 1 187.308 1.401 10 0 ADAEMO CC(=O)CC[N@@H+]1CCSC[C@@H]1C 69761235 343439887 /nfs/dbraw/zinc/43/98/87/343439887.db2.gz CNBZTGTVOFOFMV-QMMMGPOBSA-N 1 1 187.308 1.403 10 0 ADAEMO C[C@H]1CSCC[N@H+]1[C@@H]1CCCC1=O 69761221 343439915 /nfs/dbraw/zinc/43/99/15/343439915.db2.gz KSEGGMSCKYIQNQ-DTWKUNHWSA-N 1 1 199.319 1.545 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627760 343427694 /nfs/dbraw/zinc/42/76/94/343427694.db2.gz XAKVYQGPYXIBBA-AEJSXWLSSA-N 1 1 170.300 1.467 10 0 ADAEMO CC[C@H](C)N1C[C@H](C)[NH2+][C@H](C)C1 69627760 343427695 /nfs/dbraw/zinc/42/76/95/343427695.db2.gz XAKVYQGPYXIBBA-AEJSXWLSSA-N 1 1 170.300 1.467 10 0 ADAEMO CCC[C@@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627636 343427766 /nfs/dbraw/zinc/42/77/66/343427766.db2.gz OXOJJLORYSGUQP-OUAUKWLOSA-N 1 1 184.327 1.857 10 0 ADAEMO CCC[N@@H+]1CC[C@H](N)[C@@H]1c1ccco1 69799905 343443333 /nfs/dbraw/zinc/44/33/33/343443333.db2.gz GMGWKFAOPQGENM-GXSJLCMTSA-N 1 1 194.278 1.764 10 0 ADAEMO CCC[N@H+]1CC[C@H](N)[C@@H]1c1ccco1 69799905 343443334 /nfs/dbraw/zinc/44/33/34/343443334.db2.gz 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C/C=C/CN(C)C1CC[NH2+]CC1 36300572 166062483 /nfs/dbraw/zinc/06/24/83/166062483.db2.gz KUGGLAQRTCISGO-ONEGZZNKSA-N 1 1 168.284 1.246 10 0 ADAEMO C/C=C/CN1CCC[C@@H](C[NH2+]C)C1 40600079 166062550 /nfs/dbraw/zinc/06/25/50/166062550.db2.gz HWNOWWXIVOGMOQ-UFFNRZRYSA-N 1 1 182.311 1.494 10 0 ADAEMO C/C=C/COc1noc2c1C[NH2+]CC2 25964109 166062688 /nfs/dbraw/zinc/06/26/88/166062688.db2.gz ZUHJBGWBSGQTQF-NSCUHMNNSA-N 1 1 194.234 1.275 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@@H](CO)C1 49932455 166062764 /nfs/dbraw/zinc/06/27/64/166062764.db2.gz YWLMHMANQPYSKS-VMZHVLLKSA-N 1 1 169.268 1.267 10 0 ADAEMO C/C=C/CN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746922 166062882 /nfs/dbraw/zinc/06/28/82/166062882.db2.gz RSEJHLVYSZBETG-GZXMXEMNSA-N 1 1 194.322 1.777 10 0 ADAEMO C/C=C/C[N@@H+]1CCCC[C@H]1CN 44557467 166062999 /nfs/dbraw/zinc/06/29/99/166062999.db2.gz MAEMEHAYICIRRZ-PBKGFPTLSA-N 1 1 168.284 1.376 10 0 ADAEMO C/C=C/C[N@H+]1CCCC[C@H]1CN 44557467 166063002 /nfs/dbraw/zinc/06/30/02/166063002.db2.gz MAEMEHAYICIRRZ-PBKGFPTLSA-N 1 1 168.284 1.376 10 0 ADAEMO C/C=C/C[N@@H+]1CCCC[C@@H]1CN 44557464 166063072 /nfs/dbraw/zinc/06/30/72/166063072.db2.gz MAEMEHAYICIRRZ-VMZHVLLKSA-N 1 1 168.284 1.376 10 0 ADAEMO C/C=C/C[N@H+]1CCCC[C@@H]1CN 44557464 166063075 /nfs/dbraw/zinc/06/30/75/166063075.db2.gz MAEMEHAYICIRRZ-VMZHVLLKSA-N 1 1 168.284 1.376 10 0 ADAEMO C/C=C/CN1CCC[C@H](C[NH2+]C)C1 40600077 166063478 /nfs/dbraw/zinc/06/34/78/166063478.db2.gz HWNOWWXIVOGMOQ-PGLGOXFNSA-N 1 1 182.311 1.494 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@H]1CO 50113541 166063633 /nfs/dbraw/zinc/06/36/33/166063633.db2.gz JJGZREKPGMYQGB-HPOULIHZSA-N 1 1 155.241 1.019 10 0 ADAEMO C/C=C/CN(CC)C1CC[NH2+]CC1 37469528 166063674 /nfs/dbraw/zinc/06/36/74/166063674.db2.gz AWPRAULTXWYSKI-HWKANZROSA-N 1 1 182.311 1.636 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@@H]1CO 50113539 166063784 /nfs/dbraw/zinc/06/37/84/166063784.db2.gz JJGZREKPGMYQGB-GKQMSVHHSA-N 1 1 155.241 1.019 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@H](O)C1 49932434 166063800 /nfs/dbraw/zinc/06/38/00/166063800.db2.gz ZCVXCKRMRNKZOV-HPOULIHZSA-N 1 1 155.241 1.019 10 0 ADAEMO C/C=C/c1nnc([C@H](C)[NH3+])o1 83339574 166066361 /nfs/dbraw/zinc/06/63/61/166066361.db2.gz QCHDDDCZVJEQAQ-BHYDHMSTSA-N 1 1 153.185 1.122 10 0 ADAEMO C/C=C/c1nnc([C@@H]2CCCC[NH2+]2)o1 83341954 166066518 /nfs/dbraw/zinc/06/65/18/166066518.db2.gz JRYXSIJQFUQBEQ-NCJLJLRUSA-N 1 1 193.250 1.917 10 0 ADAEMO C/C=C1/C[C@H]2CCC[N@H+]2C1 18426458 166066881 /nfs/dbraw/zinc/06/68/81/166066881.db2.gz WWTKSSAAIDKRSN-GNJCPQTGSA-N 1 1 137.226 1.801 10 0 ADAEMO C/C=C/c1nnc([C@H]([NH3+])CC)o1 83339862 166066934 /nfs/dbraw/zinc/06/69/34/166066934.db2.gz RKHLTEMALLGSBC-MXTDHUQFSA-N 1 1 167.212 1.513 10 0 ADAEMO C/C=C1/C[C@@H]2CCC[N@H+]2C1 18426456 166067051 /nfs/dbraw/zinc/06/70/51/166067051.db2.gz WWTKSSAAIDKRSN-JWNFGPPVSA-N 1 1 137.226 1.801 10 0 ADAEMO C/C=C/c1nnc(C2([NH3+])CC2)o1 83339793 166067122 /nfs/dbraw/zinc/06/71/22/166067122.db2.gz VDSIZOZGPPYNQJ-NSCUHMNNSA-N 1 1 165.196 1.051 10 0 ADAEMO C/C=C/c1nnc([C@H]2CCCC[NH2+]2)o1 83341955 166067180 /nfs/dbraw/zinc/06/71/80/166067180.db2.gz JRYXSIJQFUQBEQ-IBDUZEINSA-N 1 1 193.250 1.917 10 0 ADAEMO C/C=C/c1nnc([C@@H]([NH3+])C(C)C)o1 83340607 166067194 /nfs/dbraw/zinc/06/71/94/166067194.db2.gz TXYJOCQEZZHIAF-ZJELKQJVSA-N 1 1 181.239 1.759 10 0 ADAEMO C/C=C1\C=CC=C[N@H+]1C 256008325 166067539 /nfs/dbraw/zinc/06/75/39/166067539.db2.gz WBOLNWUSQRNTEP-FPYGCLRLSA-N 1 1 121.183 1.906 10 0 ADAEMO C/C=C/c1nnc([C@@H]([NH3+])CC)o1 83339861 166067570 /nfs/dbraw/zinc/06/75/70/166067570.db2.gz RKHLTEMALLGSBC-QVQDZQDPSA-N 1 1 167.212 1.513 10 0 ADAEMO C1=C(C[N@H+]2CC[C@@H]2C2CC2)COCC1 336216165 166071564 /nfs/dbraw/zinc/07/15/64/166071564.db2.gz GIPHXTQYLLAQQB-GFCCVEGCSA-N 1 1 193.290 1.817 10 0 ADAEMO C1=C([NH+]2CC2)CCCC1 100042338 166072067 /nfs/dbraw/zinc/07/20/67/166072067.db2.gz POQIZNBRPKTRDZ-UHFFFAOYSA-N 1 1 123.199 1.760 10 0 ADAEMO C1=C(C[N@H+]2CC[C@H]2C2CC2)COCC1 336216166 166072082 /nfs/dbraw/zinc/07/20/82/166072082.db2.gz GIPHXTQYLLAQQB-LBPRGKRZSA-N 1 1 193.290 1.817 10 0 ADAEMO C1=C(CC[NH+]2CCNCC2)CCCC1 19801172 166072088 /nfs/dbraw/zinc/07/20/88/166072088.db2.gz FZKBNBJVZLZJFZ-UHFFFAOYSA-N 1 1 194.322 1.782 10 0 ADAEMO C1=C([NH+]2CCOCC2)CCSC1 137604579 166072409 /nfs/dbraw/zinc/07/24/09/166072409.db2.gz WINCLTDZBUTMHU-UHFFFAOYSA-N 1 1 185.292 1.339 10 0 ADAEMO C1=C(CN2CCCCC2)C[NH2+]CC1 75570334 166072443 /nfs/dbraw/zinc/07/24/43/166072443.db2.gz GBLLJHAUQKBFAC-UHFFFAOYSA-N 1 1 180.295 1.392 10 0 ADAEMO C1=C2CCC[N@H+]2CC1 106165771 166073535 /nfs/dbraw/zinc/07/35/35/166073535.db2.gz GIORLHLLABVIGH-UHFFFAOYSA-N 1 1 109.172 1.370 10 0 ADAEMO C1=C2CC[C@H]3CC[C@@H](C1)[N@@H+]23 100335200 166073718 /nfs/dbraw/zinc/07/37/18/166073718.db2.gz OFSBXEWQBNOKEV-BDAKNGLRSA-N 1 1 135.210 1.901 10 0 ADAEMO C1=CCC([NH+]2CCOCC2)=C1 39136707 166073762 /nfs/dbraw/zinc/07/37/62/166073762.db2.gz OWCMXCMOHBVAFF-UHFFFAOYSA-N 1 1 151.209 1.162 10 0 ADAEMO C1=C2CC[C@@H]3CC[C@H](C1)[N@@H+]23 100228700 166073874 /nfs/dbraw/zinc/07/38/74/166073874.db2.gz OFSBXEWQBNOKEV-DTWKUNHWSA-N 1 1 135.210 1.901 10 0 ADAEMO C1=C2CCCC[N@@H+]2CC1 100307272 166073905 /nfs/dbraw/zinc/07/39/05/166073905.db2.gz FQQWSUFPEGCZGB-UHFFFAOYSA-N 1 1 123.199 1.760 10 0 ADAEMO C1=[NH+]CCN=C(c2ccccc2)C1 72416579 166073951 /nfs/dbraw/zinc/07/39/51/166073951.db2.gz ULRMGNGQCKMCTK-UHFFFAOYSA-N 1 1 172.231 1.593 10 0 ADAEMO C1=CC2=CCC[N@@H+](C1)C2 39073487 166074110 /nfs/dbraw/zinc/07/41/10/166074110.db2.gz GFXIWQSQMJYIMI-UHFFFAOYSA-N 1 1 121.183 1.188 10 0 ADAEMO C1=C2NCCC[N@H+]2CCCC1 114863175 166074170 /nfs/dbraw/zinc/07/41/70/166074170.db2.gz LRAUXUFJZIWABJ-UHFFFAOYSA-N 1 1 152.241 1.307 10 0 ADAEMO C1=C2NCCC[N@@H+]2CCCC1 114863175 166074175 /nfs/dbraw/zinc/07/41/75/166074175.db2.gz LRAUXUFJZIWABJ-UHFFFAOYSA-N 1 1 152.241 1.307 10 0 ADAEMO C1=CC2C=CC=C[NH+]2C=C1 5282709 166074243 /nfs/dbraw/zinc/07/42/43/166074243.db2.gz JKOSGWKYFINVGX-UHFFFAOYSA-N 1 1 131.178 1.824 10 0 in-vitro ADAEMO C1=C2C=C3C1=CC=C3C[NH2+]2 100189444 166074250 /nfs/dbraw/zinc/07/42/50/166074250.db2.gz LXKDOYAWBDVOTM-UHFFFAOYSA-N 1 1 129.162 1.638 10 0 ADAEMO C1=C2C[C@@H]3CCC[N@@H+]3C[C@H]2OC1 38863595 166074404 /nfs/dbraw/zinc/07/44/04/166074404.db2.gz MKHGGNONQZECAS-VHSXEESVSA-N 1 1 165.236 1.180 10 0 ADAEMO C1=C2CC[C@H]3CC[C@H](C1)[N@@H+]23 100335206 166074521 /nfs/dbraw/zinc/07/45/21/166074521.db2.gz OFSBXEWQBNOKEV-IUCAKERBSA-N 1 1 135.210 1.901 10 0 ADAEMO C1=C2NCCCC[N@H+]2CCC1 34205487 166074849 /nfs/dbraw/zinc/07/48/49/166074849.db2.gz WVFDUZNAUQLQQP-UHFFFAOYSA-N 1 1 152.241 1.307 10 0 ADAEMO C1=C2[NH2+]CCCCN2CCC1 34205487 166074851 /nfs/dbraw/zinc/07/48/51/166074851.db2.gz WVFDUZNAUQLQQP-UHFFFAOYSA-N 1 1 152.241 1.307 10 0 ADAEMO C1=C2CCCC[N@H+]2CCCN1 100231296 166075005 /nfs/dbraw/zinc/07/50/05/166075005.db2.gz OOROSROZVNXZNQ-UHFFFAOYSA-N 1 1 152.241 1.307 10 0 ADAEMO C1=C2CCCC[N@@H+]2CCCN1 100231296 166075010 /nfs/dbraw/zinc/07/50/10/166075010.db2.gz OOROSROZVNXZNQ-UHFFFAOYSA-N 1 1 152.241 1.307 10 0 ADAEMO C1=CCN(CC[C@@H]2CCCC[NH2+]2)CC1 75423219 166075287 /nfs/dbraw/zinc/07/52/87/166075287.db2.gz YXVREPFJXIVKDE-LBPRGKRZSA-N 1 1 194.322 1.781 10 0 ADAEMO C1=CCN(C[C@H]2CCC[NH2+]C2)CC1 75423215 166075554 /nfs/dbraw/zinc/07/55/54/166075554.db2.gz SWLNHFHLEZKQAG-NSHDSACASA-N 1 1 180.295 1.248 10 0 ADAEMO C1=C[NH+]=Cc2cccn2C1 39078004 166075751 /nfs/dbraw/zinc/07/57/51/166075751.db2.gz NBFABZHUOJWSDM-UHFFFAOYSA-N 1 1 132.166 1.434 10 0 ADAEMO C1=CCN(C[C@@H]2CCC[NH2+]C2)CC1 75423216 166075813 /nfs/dbraw/zinc/07/58/13/166075813.db2.gz SWLNHFHLEZKQAG-LLVKDONJSA-N 1 1 180.295 1.248 10 0 ADAEMO C1=CN2C=C[NH+]=CC2=CN=C1 39079445 166075965 /nfs/dbraw/zinc/07/59/65/166075965.db2.gz TZVGQHQSXNKBMK-UHFFFAOYSA-N 1 1 145.165 1.284 10 0 ADAEMO C1=CCN(CC[C@H]2CCCC[NH2+]2)CC1 75423220 166076017 /nfs/dbraw/zinc/07/60/17/166076017.db2.gz YXVREPFJXIVKDE-GFCCVEGCSA-N 1 1 194.322 1.781 10 0 ADAEMO C1=CC[N@@H+](C2CC[NH2+]CC2)CC1 75423210 166076172 /nfs/dbraw/zinc/07/61/72/166076172.db2.gz SNYSEPJHWVJOGF-UHFFFAOYSA-N 1 1 166.268 1.000 10 0 ADAEMO C1=CCN(C2CC[NH2+]CC2)CC1 75423210 166076173 /nfs/dbraw/zinc/07/61/73/166076173.db2.gz SNYSEPJHWVJOGF-UHFFFAOYSA-N 1 1 166.268 1.000 10 0 ADAEMO C1=CN2CCCC[NH+]=C2S1 100231510 166076500 /nfs/dbraw/zinc/07/65/00/166076500.db2.gz ZEFFWDHEPHLRBY-UHFFFAOYSA-N 1 1 154.238 1.656 10 0 ADAEMO C1=C[NH2+]C2=COC=CC2=C1 100306097 166076740 /nfs/dbraw/zinc/07/67/40/166076740.db2.gz COUPORUSMRRQGH-UHFFFAOYSA-N 1 1 133.150 1.415 10 0 ADAEMO C1=CC[N@H+]2C=CC=CC2=C1 38792112 166076870 /nfs/dbraw/zinc/07/68/70/166076870.db2.gz GDRVFDDBLLKWRI-UHFFFAOYSA-N 1 1 131.178 1.826 10 0 in-vitro ADAEMO C1=CC[N@@H+]2C=CC=CC2=C1 38792112 166076874 /nfs/dbraw/zinc/07/68/74/166076874.db2.gz GDRVFDDBLLKWRI-UHFFFAOYSA-N 1 1 131.178 1.826 10 0 in-vitro ADAEMO C1=CC[N@@H+](C2CC2)CC1 39073692 166076956 /nfs/dbraw/zinc/07/69/56/166076956.db2.gz KQYMFAQTZNPPGW-UHFFFAOYSA-N 1 1 123.199 1.411 10 0 ADAEMO C1=C[C@@H]2CCC[N@@H+]2CC1 39073667 166077068 /nfs/dbraw/zinc/07/70/68/166077068.db2.gz GKTAYQOQPXXPIH-MRVPVSSYSA-N 1 1 123.199 1.411 10 0 ADAEMO C1=C[C@H]([N@@H+](C2CC2)C2COC2)CCC1 336265915 166077143 /nfs/dbraw/zinc/07/71/43/166077143.db2.gz GZHUYWZCUYAWAJ-JTQLQIEISA-N 1 1 193.290 1.958 10 0 ADAEMO C1=C[C@@H]2C[C@H]1C[C@H]2CN1CC[NH2+]CC1 22029079 166077557 /nfs/dbraw/zinc/07/75/57/166077557.db2.gz ZGPRBCDHKVQKSB-TUAOUCFPSA-N 1 1 192.306 1.104 10 0 ADAEMO C1=C[C@H]([N@H+]2CCCOCC2)CCC1 307258653 166077614 /nfs/dbraw/zinc/07/76/14/166077614.db2.gz CHJIEXNCVVQDNR-NSHDSACASA-N 1 1 181.279 1.817 10 0 ADAEMO C1=C[C@@H]([N@H+]2CCCOCC2)CCC1 307258652 166077648 /nfs/dbraw/zinc/07/76/48/166077648.db2.gz CHJIEXNCVVQDNR-LLVKDONJSA-N 1 1 181.279 1.817 10 0 ADAEMO C1=C[C@@H]2C=[NH+]C=CN2C=C1 39077997 166077712 /nfs/dbraw/zinc/07/77/12/166077712.db2.gz CEFCUEUZPZSFPL-MRVPVSSYSA-N 1 1 132.166 1.296 10 0 ADAEMO C1=C[C@@H]2C[C@H]1C[C@@H]2CN1CC[NH2+]CC1 104401075 166077967 /nfs/dbraw/zinc/07/79/67/166077967.db2.gz ZGPRBCDHKVQKSB-QJPTWQEYSA-N 1 1 192.306 1.104 10 0 ADAEMO C1=C[C@@]23CC=C[N@H+]2CC(=C1)C3 100230282 166078034 /nfs/dbraw/zinc/07/80/34/166078034.db2.gz BJPGYTAZUUYLBN-JTQLQIEISA-N 1 1 145.205 1.845 10 0 ADAEMO C1=C[C@@H]2CCC[N@@H+]2C1 5600445 166078205 /nfs/dbraw/zinc/07/82/05/166078205.db2.gz CSNWPSHAZNPDBA-SSDOTTSWSA-N 1 1 109.172 1.021 10 0 ADAEMO C1=C[C@@H]([N@@H+](C2CC2)C2COC2)CCC1 336265916 166078528 /nfs/dbraw/zinc/07/85/28/166078528.db2.gz GZHUYWZCUYAWAJ-SNVBAGLBSA-N 1 1 193.290 1.958 10 0 ADAEMO C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CC[NH2+]CC1 19788523 166079259 /nfs/dbraw/zinc/07/92/59/166079259.db2.gz ZGPRBCDHKVQKSB-GRYCIOLGSA-N 1 1 192.306 1.104 10 0 ADAEMO C1=C[C@H]2[NH2+][C@@H]1c1ccccc12 6117463 166079286 /nfs/dbraw/zinc/07/92/86/166079286.db2.gz QMWUOWKZUWTUFQ-AOOOYVTPSA-N 1 1 143.189 1.942 10 0 ADAEMO C1=C[C@H]2CCC[N@@H+]2C1 5600296 166079352 /nfs/dbraw/zinc/07/93/52/166079352.db2.gz CSNWPSHAZNPDBA-ZETCQYMHSA-N 1 1 109.172 1.021 10 0 ADAEMO C1=C[C@H]2C[C@@H]1C[C@H]2CN1CC[NH2+]CC1 19788521 166079421 /nfs/dbraw/zinc/07/94/21/166079421.db2.gz ZGPRBCDHKVQKSB-WOPDTQHZSA-N 1 1 192.306 1.104 10 0 ADAEMO C1=C[C@H]2C=[NH+]C=CN2C=C1 39077998 166079727 /nfs/dbraw/zinc/07/97/27/166079727.db2.gz CEFCUEUZPZSFPL-QMMMGPOBSA-N 1 1 132.166 1.296 10 0 ADAEMO C1=C[C@H]2CCC[N@@H+]2CC1 39073666 166080271 /nfs/dbraw/zinc/08/02/71/166080271.db2.gz GKTAYQOQPXXPIH-QMMMGPOBSA-N 1 1 123.199 1.411 10 0 ADAEMO C1=Cn2c(nc3ccccc32)[NH+]=CN1 95923118 166080787 /nfs/dbraw/zinc/08/07/87/166080787.db2.gz PDSJDJGOSKYGGC-UHFFFAOYSA-N 1 1 184.202 1.918 10 0 ADAEMO C1=NC[C@H]2CCCC[N@H+]2CC1 39080390 166081069 /nfs/dbraw/zinc/08/10/69/166081069.db2.gz FZOVKZDAFPDWKZ-SECBINFHSA-N 1 1 152.241 1.315 10 0 ADAEMO C1=NC[C@@H]2CCCC[N@H+]2CC1 39080388 166081089 /nfs/dbraw/zinc/08/10/89/166081089.db2.gz FZOVKZDAFPDWKZ-VIFPVBQESA-N 1 1 152.241 1.315 10 0 ADAEMO C1=N[C@@H]2CCCCC[N@H+]2CC1 39080396 166081302 /nfs/dbraw/zinc/08/13/02/166081302.db2.gz CGWLNDXJWUZTPK-VIFPVBQESA-N 1 1 152.241 1.663 10 0 ADAEMO 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180.295 1.223 10 0 ADAEMO C1CC[C@@H](C2CC2)[C@@H](NC2C[NH2+]C2)C1 335530660 166090828 /nfs/dbraw/zinc/09/08/28/166090828.db2.gz BLWQHTIYBQOZNG-RYUDHWBXSA-N 1 1 194.322 1.517 10 0 ADAEMO C1CC[C@@H]([NH2+]CC2CC2)CNC1 335641433 166091120 /nfs/dbraw/zinc/09/11/20/166091120.db2.gz DXZIEQAPQIBGGD-SNVBAGLBSA-N 1 1 168.284 1.128 10 0 ADAEMO C1CC[C@@H](NC2C[NH2+]C2)[C@H](C2CC2)C1 335530658 166091731 /nfs/dbraw/zinc/09/17/31/166091731.db2.gz BLWQHTIYBQOZNG-NWDGAFQWSA-N 1 1 194.322 1.517 10 0 ADAEMO C1CC[N@H+]2[C@H](C1)CNCC21CCCC1 82386984 166091844 /nfs/dbraw/zinc/09/18/44/166091844.db2.gz OAHSGWFPUKNXCP-LLVKDONJSA-N 1 1 194.322 1.757 10 0 ADAEMO C1CCN2[C@H](C1)C[NH2+]CC21CCCC1 82386984 166091848 /nfs/dbraw/zinc/09/18/48/166091848.db2.gz OAHSGWFPUKNXCP-LLVKDONJSA-N 1 1 194.322 1.757 10 0 ADAEMO C1CC[N@H+]2[C@@H](C3CC3)CNC[C@H]2C1 82396272 166092229 /nfs/dbraw/zinc/09/22/29/166092229.db2.gz YLXIGQLJFMVMBL-GHMZBOCLSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CCN2[C@@H](C3CC3)C[NH2+]C[C@H]2C1 82396272 166092231 /nfs/dbraw/zinc/09/22/31/166092231.db2.gz YLXIGQLJFMVMBL-GHMZBOCLSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CC[N@H+]2[C@@H](C1)CNCC21CCCC1 82386983 166092267 /nfs/dbraw/zinc/09/22/67/166092267.db2.gz OAHSGWFPUKNXCP-NSHDSACASA-N 1 1 194.322 1.757 10 0 ADAEMO C1CCN2[C@@H](C1)C[NH2+]CC21CCCC1 82386983 166092270 /nfs/dbraw/zinc/09/22/70/166092270.db2.gz OAHSGWFPUKNXCP-NSHDSACASA-N 1 1 194.322 1.757 10 0 ADAEMO C1CC[NH+](CCN2CCCC2)CC1 41202198 166092392 /nfs/dbraw/zinc/09/23/92/166092392.db2.gz BOEZQHJKAJAUIA-UHFFFAOYSA-N 1 1 182.311 1.568 10 0 ADAEMO C1CC[N@@H+]2CCS[C@H]2C1 34612575 166092932 /nfs/dbraw/zinc/09/29/32/166092932.db2.gz OLESZYPRHBZVQR-ZETCQYMHSA-N 1 1 143.255 1.545 10 0 ADAEMO C1CC[C@H](C2CC2)[C@@H](NC2C[NH2+]C2)C1 335530657 166093047 /nfs/dbraw/zinc/09/30/47/166093047.db2.gz BLWQHTIYBQOZNG-NEPJUHHUSA-N 1 1 194.322 1.517 10 0 ADAEMO C1CC[C@H]([NH2+]CC2CC2)CNC1 335641431 166093195 /nfs/dbraw/zinc/09/31/95/166093195.db2.gz DXZIEQAPQIBGGD-JTQLQIEISA-N 1 1 168.284 1.128 10 0 ADAEMO C1CC[C@H](C2CC2)[C@H](NC2C[NH2+]C2)C1 335530661 166093585 /nfs/dbraw/zinc/09/35/85/166093585.db2.gz BLWQHTIYBQOZNG-VXGBXAGGSA-N 1 1 194.322 1.517 10 0 ADAEMO C1CC[C@@H]2CCNCC[N@@H+]2CC1 80550005 166093945 /nfs/dbraw/zinc/09/39/45/166093945.db2.gz QTOFEVXUQJKZOI-SNVBAGLBSA-N 1 1 168.284 1.224 10 0 ADAEMO C1CC[C@@H]2CCNCC[N@H+]2CC1 80550005 166093946 /nfs/dbraw/zinc/09/39/46/166093946.db2.gz QTOFEVXUQJKZOI-SNVBAGLBSA-N 1 1 168.284 1.224 10 0 ADAEMO C1CC[C@H]2CCNCC[N@@H+]2CC1 80550008 166094910 /nfs/dbraw/zinc/09/49/10/166094910.db2.gz QTOFEVXUQJKZOI-JTQLQIEISA-N 1 1 168.284 1.224 10 0 ADAEMO C1CC[C@H]2CCNCC[N@H+]2CC1 80550008 166094911 /nfs/dbraw/zinc/09/49/11/166094911.db2.gz QTOFEVXUQJKZOI-JTQLQIEISA-N 1 1 168.284 1.224 10 0 ADAEMO C1C[N@H+](CC2CC2)C[C@@H](C2CC2)O1 306485667 166095286 /nfs/dbraw/zinc/09/52/86/166095286.db2.gz HFWMSTUDEPQCJW-NSHDSACASA-N 1 1 181.279 1.507 10 0 ADAEMO C1CN(C[C@H]2C[C@H]3CC[C@@H]2C3)CC[NH2+]1 52860992 166095307 /nfs/dbraw/zinc/09/53/07/166095307.db2.gz WGIIBPUESMLESE-QJPTWQEYSA-N 1 1 194.322 1.328 10 0 ADAEMO C1C[N@H+](CC2CC2)C[C@H](C2CC2)O1 306485666 166095323 /nfs/dbraw/zinc/09/53/23/166095323.db2.gz HFWMSTUDEPQCJW-LLVKDONJSA-N 1 1 181.279 1.507 10 0 ADAEMO C1CN([C@H]2C[C@H]3CC[C@@H]2C3)CC[NH2+]1 19371891 166095345 /nfs/dbraw/zinc/09/53/45/166095345.db2.gz LLAVOYVMTSPJFK-AXFHLTTASA-N 1 1 180.295 1.080 10 0 ADAEMO C1C[N@H+](CC2CC2)C2(CC2)CO1 306530853 166095544 /nfs/dbraw/zinc/09/55/44/166095544.db2.gz HSJZBOXEMMHXEJ-UHFFFAOYSA-N 1 1 167.252 1.261 10 0 ADAEMO C1C[N@@H+]2CCC3(CC3)[C@@H]12 39094691 166095689 /nfs/dbraw/zinc/09/56/89/166095689.db2.gz GHLQFHBGIJZWDQ-SSDOTTSWSA-N 1 1 123.199 1.245 10 0 ADAEMO C1C[N@H+](CC2CC2)C[C@@]2(C1)CCOC2 336223231 166095735 /nfs/dbraw/zinc/09/57/35/166095735.db2.gz MNQXITNVBLWEAY-GFCCVEGCSA-N 1 1 195.306 1.899 10 0 ADAEMO C1C[N@H+]2CC3(CC3)C[C@H]12 39073711 166095907 /nfs/dbraw/zinc/09/59/07/166095907.db2.gz KCRPBCRMDCWAER-ZETCQYMHSA-N 1 1 123.199 1.245 10 0 ADAEMO C1C[N@H+]([C@H]2CCOC2)CC2(C1)CC2 307357597 166095916 /nfs/dbraw/zinc/09/59/16/166095916.db2.gz WUUDLKQHVXGPKN-JTQLQIEISA-N 1 1 181.279 1.651 10 0 ADAEMO C1C[N@@H+]2CCC3(CC3)[C@H]12 39094689 166095971 /nfs/dbraw/zinc/09/59/71/166095971.db2.gz GHLQFHBGIJZWDQ-ZETCQYMHSA-N 1 1 123.199 1.245 10 0 ADAEMO C1C[N@H+](CC2CC2)C[C@]2(C1)CCOC2 336223232 166095990 /nfs/dbraw/zinc/09/59/90/166095990.db2.gz MNQXITNVBLWEAY-LBPRGKRZSA-N 1 1 195.306 1.899 10 0 ADAEMO C1C[N@H+]2CC3(CC3)C[C@@H]12 39073712 166095994 /nfs/dbraw/zinc/09/59/94/166095994.db2.gz KCRPBCRMDCWAER-SSDOTTSWSA-N 1 1 123.199 1.245 10 0 ADAEMO C1CN([C@H]2C[C@@H]3CC[C@H]2C3)CC[NH2+]1 22036343 166096115 /nfs/dbraw/zinc/09/61/15/166096115.db2.gz LLAVOYVMTSPJFK-VWYCJHECSA-N 1 1 180.295 1.080 10 0 ADAEMO C1C[N@H+]([C@@H]2CCOC2)CC2(C1)CC2 307357598 166096210 /nfs/dbraw/zinc/09/62/10/166096210.db2.gz WUUDLKQHVXGPKN-SNVBAGLBSA-N 1 1 181.279 1.651 10 0 ADAEMO C1C[N@H+](CC2CC2)CC2(CC2)CO1 306960681 166096234 /nfs/dbraw/zinc/09/62/34/166096234.db2.gz ZJTAFCZCUDENFE-UHFFFAOYSA-N 1 1 181.279 1.509 10 0 ADAEMO C1CN[C@@H]2[C@H](C1)CC[C@H]1CCC[NH2+][C@H]12 306147354 166098313 /nfs/dbraw/zinc/09/83/13/166098313.db2.gz XWURKPFSBHAUQV-DDHJBXDOSA-N 1 1 194.322 1.517 10 0 ADAEMO C1COC[C@H](C[N@H+]2CC[C@H]2C2CC2)C1 336216317 166099185 /nfs/dbraw/zinc/09/91/85/166099185.db2.gz SANMTVJNFCNAPW-JQWIXIFHSA-N 1 1 195.306 1.897 10 0 ADAEMO C1CO[C@@H](C[N@@H+]2CCOCC23CC3)C1 334169674 166099444 /nfs/dbraw/zinc/09/94/44/166099444.db2.gz AZQGQWVVLNSRFQ-SNVBAGLBSA-N 1 1 197.278 1.030 10 0 ADAEMO C1CO[C@@H](C[N@H+]2CCOCC23CC3)C1 334169674 166099447 /nfs/dbraw/zinc/09/94/47/166099447.db2.gz AZQGQWVVLNSRFQ-SNVBAGLBSA-N 1 1 197.278 1.030 10 0 ADAEMO C1COC[C@@H](C[N@H+]2CC[C@@H]2C2CC2)C1 336216319 166100502 /nfs/dbraw/zinc/10/05/02/166100502.db2.gz SANMTVJNFCNAPW-ZYHUDNBSSA-N 1 1 195.306 1.897 10 0 ADAEMO C1COC[C@H](C[N@H+]2CC[C@@H]2C2CC2)C1 336216316 166100708 /nfs/dbraw/zinc/10/07/08/166100708.db2.gz SANMTVJNFCNAPW-CMPLNLGQSA-N 1 1 195.306 1.897 10 0 ADAEMO C1CO[C@H](C[N@@H+]2CCOCC23CC3)C1 334226672 166100832 /nfs/dbraw/zinc/10/08/32/166100832.db2.gz AZQGQWVVLNSRFQ-JTQLQIEISA-N 1 1 197.278 1.030 10 0 ADAEMO C1CO[C@H](C[N@H+]2CCOCC23CC3)C1 334226672 166100834 /nfs/dbraw/zinc/10/08/34/166100834.db2.gz AZQGQWVVLNSRFQ-JTQLQIEISA-N 1 1 197.278 1.030 10 0 ADAEMO C1CO[C@@H](C[N@H+]2CCC23CCC3)C1 307455234 166100874 /nfs/dbraw/zinc/10/08/74/166100874.db2.gz CLSAJISRBPFBOR-SNVBAGLBSA-N 1 1 181.279 1.794 10 0 ADAEMO C1CO[C@H](C[N@H+]2CCC23CCC3)C1 336630431 166101091 /nfs/dbraw/zinc/10/10/91/166101091.db2.gz CLSAJISRBPFBOR-JTQLQIEISA-N 1 1 181.279 1.794 10 0 ADAEMO C1COC[C@@H](C[N@H+]2CC[C@H]2C2CC2)C1 336216318 166101881 /nfs/dbraw/zinc/10/18/81/166101881.db2.gz SANMTVJNFCNAPW-PWSUYJOCSA-N 1 1 195.306 1.897 10 0 ADAEMO C1C[C@@H]([N@H+]2CC[C@H](C3CC3)C2)CO1 335578985 166102240 /nfs/dbraw/zinc/10/22/40/166102240.db2.gz KGVXODBQOWEJSB-WDEREUQCSA-N 1 1 181.279 1.507 10 0 ADAEMO C1C[C@@H]2COCC[C@@H]2[N@@H+](CC2CC2)C1 336553544 166102378 /nfs/dbraw/zinc/10/23/78/166102378.db2.gz XXOYLEDDDGCWMW-NEPJUHHUSA-N 1 1 195.306 1.897 10 0 ADAEMO C1C[C@@H]([C@H]2CC[N@H+](CC3CC3)C2)CO1 334182856 166102389 /nfs/dbraw/zinc/10/23/89/166102389.db2.gz BEPMLCOGIUFXDI-NWDGAFQWSA-N 1 1 195.306 1.755 10 0 ADAEMO C1C[C@@H]2CC[C@H]3CC[N@@H+]3C[C@@H]12 39080203 166102522 /nfs/dbraw/zinc/10/25/22/166102522.db2.gz ZRWXTTIUPGRUOW-BBBLOLIVSA-N 1 1 151.253 1.881 10 0 ADAEMO C1C[C@@H](N[C@@H]2CC3CCC2CC3)C[NH2+]1 306468440 166102559 /nfs/dbraw/zinc/10/25/59/166102559.db2.gz MSGQFXBTMUIDGA-KIDURHIOSA-N 1 1 194.322 1.517 10 0 ADAEMO C1C[C@@H]2CC[C@H](CN1)[N@@H+]2CC1CC1 38343410 166102645 /nfs/dbraw/zinc/10/26/45/166102645.db2.gz QQGMHNNAORVETN-WDEREUQCSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@@H]2CC[C@H](CN1)[N@H+]2CC1CC1 38343410 166102648 /nfs/dbraw/zinc/10/26/48/166102648.db2.gz QQGMHNNAORVETN-WDEREUQCSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@@H]2COCC[C@H]2[N@@H+](CC2CC2)C1 336553547 166102654 /nfs/dbraw/zinc/10/26/54/166102654.db2.gz XXOYLEDDDGCWMW-VXGBXAGGSA-N 1 1 195.306 1.897 10 0 ADAEMO C1C[C@@H]2CN(CC3CC3)CC[C@H]2[NH2+]1 307629919 166102727 /nfs/dbraw/zinc/10/27/27/166102727.db2.gz NMUHTJHNELODBT-GHMZBOCLSA-N 1 1 180.295 1.080 10 0 ADAEMO C1C[C@@H](C2CC2)C[N@@H+]([C@@H]2CCOC2)C1 335992182 166102749 /nfs/dbraw/zinc/10/27/49/166102749.db2.gz YOWVZLQKBDKTGC-VXGBXAGGSA-N 1 1 195.306 1.897 10 0 ADAEMO C1CSCC[N@@H+]([C@H]2CCOC2)C1 336552463 166102820 /nfs/dbraw/zinc/10/28/20/166102820.db2.gz CRHWIHCGMJIDHY-VIFPVBQESA-N 1 1 187.308 1.214 10 0 ADAEMO C1C[C@@H](N[C@H]2CC3CCC2CC3)C[NH2+]1 306468439 166102873 /nfs/dbraw/zinc/10/28/73/166102873.db2.gz MSGQFXBTMUIDGA-HCWSGVFWSA-N 1 1 194.322 1.517 10 0 ADAEMO C1C[C@@H](C2CC2)C[N@@H+]([C@H]2CCOC2)C1 335992179 166103031 /nfs/dbraw/zinc/10/30/31/166103031.db2.gz YOWVZLQKBDKTGC-NEPJUHHUSA-N 1 1 195.306 1.897 10 0 ADAEMO C1C[C@@H]([C@@H]2CC[N@H+](CC3CC3)C2)CO1 334182866 166103035 /nfs/dbraw/zinc/10/30/35/166103035.db2.gz BEPMLCOGIUFXDI-VXGBXAGGSA-N 1 1 195.306 1.755 10 0 ADAEMO C1C[C@@H]2CC[C@@H]3CC[N@@H+]3C[C@@H]12 39080201 166103122 /nfs/dbraw/zinc/10/31/22/166103122.db2.gz ZRWXTTIUPGRUOW-OPRDCNLKSA-N 1 1 151.253 1.881 10 0 ADAEMO C1CSCC[N@@H+](CC2CC2)C1 336554828 166103334 /nfs/dbraw/zinc/10/33/34/166103334.db2.gz YHXREUMXBWQTRX-UHFFFAOYSA-N 1 1 171.309 1.835 10 0 ADAEMO C1C[C@@H](C[N@H+]2CC[C@H](C3CC3)C2)CO1 335651867 166103352 /nfs/dbraw/zinc/10/33/52/166103352.db2.gz BOMJUJFZVIDNBI-JQWIXIFHSA-N 1 1 195.306 1.755 10 0 ADAEMO C1CSCC[N@@H+]([C@@H]2CCOC2)C1 336552462 166103466 /nfs/dbraw/zinc/10/34/66/166103466.db2.gz CRHWIHCGMJIDHY-SECBINFHSA-N 1 1 187.308 1.214 10 0 ADAEMO C1C[C@@H](N2CC[NH2+]CC2)C2(C1)CC2 82396264 166103682 /nfs/dbraw/zinc/10/36/82/166103682.db2.gz DAFZLBUBAQWWKK-SNVBAGLBSA-N 1 1 180.295 1.224 10 0 ADAEMO C1C[C@@H]2C[N@H+]3CC[C@H]3CC[C@H]12 257001234 166103852 /nfs/dbraw/zinc/10/38/52/166103852.db2.gz ZRWXTTIUPGRUOW-IVZWLZJFSA-N 1 1 151.253 1.881 10 0 ADAEMO C1C[C@@H]([N@H+]2CC[C@@H](C3CC3)C2)CO1 335578982 166103902 /nfs/dbraw/zinc/10/39/02/166103902.db2.gz KGVXODBQOWEJSB-GHMZBOCLSA-N 1 1 181.279 1.507 10 0 ADAEMO C1C[C@@H]2C[N@H+]3CC[C@@H]3C[C@H]12 100288522 166104377 /nfs/dbraw/zinc/10/43/77/166104377.db2.gz IOLZIPUJTQKDDZ-DJLDLDEBSA-N 1 1 137.226 1.491 10 0 ADAEMO C1C[C@@H](C[N@H+]2CC[C@@H](C3CC3)C2)CO1 335651866 166104396 /nfs/dbraw/zinc/10/43/96/166104396.db2.gz BOMJUJFZVIDNBI-CMPLNLGQSA-N 1 1 195.306 1.755 10 0 ADAEMO C1C[C@@H]2C[N@H+]3CC[C@@H]3CC[C@H]12 100288530 166104590 /nfs/dbraw/zinc/10/45/90/166104590.db2.gz ZRWXTTIUPGRUOW-AEJSXWLSSA-N 1 1 151.253 1.881 10 0 ADAEMO C1C[C@@H]2CN(CC3CC3)CC[C@@H]2[NH2+]1 307629920 166104642 /nfs/dbraw/zinc/10/46/42/166104642.db2.gz NMUHTJHNELODBT-MNOVXSKESA-N 1 1 180.295 1.080 10 0 ADAEMO C1C[C@@H]2C[N@H+]3CC[C@H]3C[C@H]12 39078342 166104826 /nfs/dbraw/zinc/10/48/26/166104826.db2.gz IOLZIPUJTQKDDZ-YIZRAAEISA-N 1 1 137.226 1.491 10 0 ADAEMO C1C[C@H]2CN(CC3CC3)CC[C@H]2[NH2+]1 307629923 166105278 /nfs/dbraw/zinc/10/52/78/166105278.db2.gz NMUHTJHNELODBT-WDEREUQCSA-N 1 1 180.295 1.080 10 0 ADAEMO C1C[C@H](N2CC[NH2+]CC2)C2(C1)CC2 82396263 166105379 /nfs/dbraw/zinc/10/53/79/166105379.db2.gz DAFZLBUBAQWWKK-JTQLQIEISA-N 1 1 180.295 1.224 10 0 ADAEMO C1C[C@H](C2CC2)C[N@@H+]([C@@H]2CCOC2)C1 335992180 166105552 /nfs/dbraw/zinc/10/55/52/166105552.db2.gz YOWVZLQKBDKTGC-NWDGAFQWSA-N 1 1 195.306 1.897 10 0 ADAEMO C1C[C@H]([N@H+]2CC[C@@H](C3CC3)C2)CO1 335578983 166105564 /nfs/dbraw/zinc/10/55/64/166105564.db2.gz KGVXODBQOWEJSB-MNOVXSKESA-N 1 1 181.279 1.507 10 0 ADAEMO C1C[C@H]2C[N@@H+](CC3CC3)C[C@@H](C1)N2 307634111 166105649 /nfs/dbraw/zinc/10/56/49/166105649.db2.gz SDPBOAVJBJGXNO-PHIMTYICSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@H]2C[N@H+](CC3CC3)C[C@@H](C1)N2 307634111 166105652 /nfs/dbraw/zinc/10/56/52/166105652.db2.gz SDPBOAVJBJGXNO-PHIMTYICSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@H](C2CC2)C[N@@H+]([C@H]2CCOC2)C1 335992181 166105919 /nfs/dbraw/zinc/10/59/19/166105919.db2.gz 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CCCN[C@H](C[NH3+])c1ccc(C)cc1 50270439 167002298 /nfs/dbraw/zinc/00/22/98/167002298.db2.gz NTCDPHSTXJEUDE-GFCCVEGCSA-N 1 1 192.306 1.994 10 0 ADAEMO CCCN[C@H](C[NH3+])c1cccc(F)c1 50270463 167002488 /nfs/dbraw/zinc/00/24/88/167002488.db2.gz ZFUBKCUZWYMGSX-LLVKDONJSA-N 1 1 196.269 1.825 10 0 ADAEMO CCC[NH2+][C@H](CN)c1ccc(C)o1 50270459 167002628 /nfs/dbraw/zinc/00/26/28/167002628.db2.gz SRYUPFRFOYXBOA-SECBINFHSA-N 1 1 182.267 1.587 10 0 ADAEMO CCCN[C@H](C[NH3+])c1cccs1 50270505 167003293 /nfs/dbraw/zinc/00/32/93/167003293.db2.gz KLZHSUVXWKLPCM-MRVPVSSYSA-N 1 1 184.308 1.748 10 0 ADAEMO CCC[NH2+][C@H]1CCN(C2CC2)C[C@@H]1C 49708980 167003363 /nfs/dbraw/zinc/00/33/63/167003363.db2.gz QKLALEQHONKPKL-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[NH2+][C@](C)(C(=O)OC)C(C)C 52883734 167003596 /nfs/dbraw/zinc/00/35/96/167003596.db2.gz PHJFBLMAXNFGAM-JTQLQIEISA-N 1 1 187.283 1.574 10 0 ADAEMO CCC[NH2+][C@H]1CCCN(C)CC1 76598297 167003826 /nfs/dbraw/zinc/00/38/26/167003826.db2.gz 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CCCOCc1noc([C@@H](C)[NH3+])n1 44652484 167015067 /nfs/dbraw/zinc/01/50/67/167015067.db2.gz YFAARBVLGPNLJS-ZCFIWIBFSA-N 1 1 185.227 1.016 10 0 ADAEMO CCCON1CCSC1=[NH2+] 39089419 167015077 /nfs/dbraw/zinc/01/50/77/167015077.db2.gz FLQJAXLZJHKESU-UHFFFAOYSA-N 1 1 160.242 1.312 10 0 ADAEMO CCCO[C@@H]1CCC[N@H+](CC(C)=O)C1 42423654 167016243 /nfs/dbraw/zinc/01/62/43/167016243.db2.gz APZTVRRQLLPVPB-LLVKDONJSA-N 1 1 199.294 1.466 10 0 ADAEMO CCCO[C@@H]1CCC[N@@H+](CC(C)=O)C1 42423654 167016245 /nfs/dbraw/zinc/01/62/45/167016245.db2.gz APZTVRRQLLPVPB-LLVKDONJSA-N 1 1 199.294 1.466 10 0 ADAEMO CCCO[C@H]1CCC[N@H+](CC(C)=O)C1 42423655 167016963 /nfs/dbraw/zinc/01/69/63/167016963.db2.gz APZTVRRQLLPVPB-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO CCCO[C@H]1CCC[N@@H+](CC(C)=O)C1 42423655 167016966 /nfs/dbraw/zinc/01/69/66/167016966.db2.gz APZTVRRQLLPVPB-NSHDSACASA-N 1 1 199.294 1.466 10 0 ADAEMO CCCOc1ccc(C)[nH+]c1N 50440868 167018764 /nfs/dbraw/zinc/01/87/64/167018764.db2.gz WUJPSLBDKFICRW-UHFFFAOYSA-N 1 1 166.224 1.761 10 0 ADAEMO CCCOc1ccc([C@@H]([NH3+])CN)cc1 44469347 167019144 /nfs/dbraw/zinc/01/91/44/167019144.db2.gz SGTWXWMOLFNTFM-NSHDSACASA-N 1 1 194.278 1.434 10 0 ADAEMO CCCOc1ccc([C@H]([NH3+])CN)cc1 44469344 167020132 /nfs/dbraw/zinc/02/01/32/167020132.db2.gz SGTWXWMOLFNTFM-LLVKDONJSA-N 1 1 194.278 1.434 10 0 ADAEMO CC1(C)C[N@H+](C2CC=CC2)CCCN1 133858080 343928851 /nfs/dbraw/zinc/92/88/51/343928851.db2.gz DCFGGEXIKKQXGC-UHFFFAOYSA-N 1 1 194.322 1.779 10 0 ADAEMO CCCOc1cccc([C@@H]([NH3+])CN)c1 44473740 167020727 /nfs/dbraw/zinc/02/07/27/167020727.db2.gz YZOHZCUWCJOMGW-NSHDSACASA-N 1 1 194.278 1.434 10 0 ADAEMO CC1(C)CN(C2CC=CC2)CCC[NH2+]1 133858080 343928852 /nfs/dbraw/zinc/92/88/52/343928852.db2.gz DCFGGEXIKKQXGC-UHFFFAOYSA-N 1 1 194.322 1.779 10 0 ADAEMO CCCOc1cccc([C@H]([NH3+])CN)c1 44473737 167022150 /nfs/dbraw/zinc/02/21/50/167022150.db2.gz YZOHZCUWCJOMGW-LLVKDONJSA-N 1 1 194.278 1.434 10 0 ADAEMO CCCOc1noc2c1C[NH2+]CC2 25964776 167022734 /nfs/dbraw/zinc/02/27/34/167022734.db2.gz RAWRPYBQMQKAHM-UHFFFAOYSA-N 1 1 182.223 1.109 10 0 ADAEMO CCCSC[C@@H]([NH3+])C(=O)OCC 45554630 167023376 /nfs/dbraw/zinc/02/33/76/167023376.db2.gz HZZRUCVGMNSFBJ-SSDOTTSWSA-N 1 1 191.296 1.020 10 0 ADAEMO CCCSC[C@H]([NH3+])C(=O)OCC 45554629 167023612 /nfs/dbraw/zinc/02/36/12/167023612.db2.gz HZZRUCVGMNSFBJ-ZETCQYMHSA-N 1 1 191.296 1.020 10 0 ADAEMO CCCSc1nnc(C[NH3+])o1 8039299 167027328 /nfs/dbraw/zinc/02/73/28/167027328.db2.gz BISIDMOWHUSZIX-UHFFFAOYSA-N 1 1 173.241 1.030 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CCCNCC1 49954051 167028453 /nfs/dbraw/zinc/02/84/53/167028453.db2.gz XPOMKOZXWXSTJS-LLVKDONJSA-N 1 1 184.327 1.718 10 0 ADAEMO CCC[C@@H](C)CN1CCC[NH2+]CC1 49954051 167028457 /nfs/dbraw/zinc/02/84/57/167028457.db2.gz XPOMKOZXWXSTJS-LLVKDONJSA-N 1 1 184.327 1.718 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CCNC[C@@H]1C 54374541 167028650 /nfs/dbraw/zinc/02/86/50/167028650.db2.gz CJSDPJOZYUAHEB-MNOVXSKESA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[C@@H](C)CN1CC[NH2+]C[C@@H]1C 54374541 167028651 /nfs/dbraw/zinc/02/86/51/167028651.db2.gz CJSDPJOZYUAHEB-MNOVXSKESA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[C@@H](C)C[N@@H+](C)CCN 51297809 167028662 /nfs/dbraw/zinc/02/86/62/167028662.db2.gz BXQKNQPABSIWFB-SECBINFHSA-N 1 1 158.289 1.313 10 0 ADAEMO CCC[C@@H](C)CN(C)CC[NH3+] 51297809 167028665 /nfs/dbraw/zinc/02/86/65/167028665.db2.gz BXQKNQPABSIWFB-SECBINFHSA-N 1 1 158.289 1.313 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@H]1CN 51320993 167029011 /nfs/dbraw/zinc/02/90/11/167029011.db2.gz LJYIFRFQSMCCQV-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@H](C)C[NH2+][C@H](C)C(=O)OC 42303700 167029200 /nfs/dbraw/zinc/02/92/00/167029200.db2.gz UTVQRAGLVPNFEM-RKDXNWHRSA-N 1 1 187.283 1.574 10 0 ADAEMO CCC[C@@H](C)C[N@@H+](C)CC(N)=S 51320536 167029285 /nfs/dbraw/zinc/02/92/85/167029285.db2.gz CDWHTFLHRSNJAY-MRVPVSSYSA-N 1 1 188.340 1.641 10 0 ADAEMO CCC[C@@H](C)C[N@@H+](CC)CCN 51297812 167029377 /nfs/dbraw/zinc/02/93/77/167029377.db2.gz 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/nfs/dbraw/zinc/03/02/16/167030216.db2.gz IBEINNPHKJONME-SECBINFHSA-N 1 1 187.283 1.575 10 0 ADAEMO CCC[C@@H](C)C[N@@H+](C)C[C@@H](C)O 51837626 167030541 /nfs/dbraw/zinc/03/05/41/167030541.db2.gz HNWCJMIBGUOPBJ-NXEZZACHSA-N 1 1 173.300 1.735 10 0 ADAEMO CCC[C@@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 306507273 167031398 /nfs/dbraw/zinc/03/13/98/167031398.db2.gz XNHNLTDDUPROJK-NXEZZACHSA-N 1 1 183.295 1.632 10 0 ADAEMO CCC[C@@H](C)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 335352019 167031577 /nfs/dbraw/zinc/03/15/77/167031577.db2.gz BFXUCDKLRQBGGM-ZJUUUORDSA-N 1 1 198.310 1.338 10 0 ADAEMO CCC[C@@H](C)[N@H+](C)[C@@H]1CCCNC1 36790851 167031648 /nfs/dbraw/zinc/03/16/48/167031648.db2.gz LTPQIIPVEYVEEK-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCNC1 36790851 167031649 /nfs/dbraw/zinc/03/16/49/167031649.db2.gz LTPQIIPVEYVEEK-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CCCC[C@@H]1CN 44540323 167031959 /nfs/dbraw/zinc/03/19/59/167031959.db2.gz 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CCC[C@@H](C)C[C@@H]([NH3+])C(=O)OCC 44339672 167033311 /nfs/dbraw/zinc/03/33/11/167033311.db2.gz AOHITZYZVMARBL-RKDXNWHRSA-N 1 1 187.283 1.703 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CC[C@H](N)C1 37241046 167033351 /nfs/dbraw/zinc/03/33/51/167033351.db2.gz SWTPZMPXDZOYIZ-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=S 43514093 167033483 /nfs/dbraw/zinc/03/34/83/167033483.db2.gz SVWVGCORRFMYDI-SFYZADRCSA-N 1 1 188.340 1.781 10 0 ADAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)N 41053846 167033591 /nfs/dbraw/zinc/03/35/91/167033591.db2.gz KHOBGOPTICGAIO-BBBLOLIVSA-N 1 1 172.316 1.843 10 0 ADAEMO CCC[C@@H](C)N(C)[C@@H](C)[C@@H](C)[NH3+] 41053846 167033594 /nfs/dbraw/zinc/03/35/94/167033594.db2.gz KHOBGOPTICGAIO-BBBLOLIVSA-N 1 1 172.316 1.843 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CCN[C@@H](C)C1 220809700 167033709 /nfs/dbraw/zinc/03/37/09/167033709.db2.gz FKHOZKYEXZBYLO-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CCC[C@@H](C)N1CC[NH2+][C@@H](C)C1 220809700 167033711 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1.574 10 0 ADAEMO CCC[C@@H](CC)N1CC[NH2+]CC1 50404981 167039391 /nfs/dbraw/zinc/03/93/91/167039391.db2.gz DOYGAJODJLYPHM-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO CCC[C@@H](C)[C@H]([NH2+]C)C(=O)OC 49953678 167039407 /nfs/dbraw/zinc/03/94/07/167039407.db2.gz VOQPFRHNJHFPIW-SFYZADRCSA-N 1 1 173.256 1.184 10 0 ADAEMO CCC[C@@H](C)[C@H](CN)[N@@H+](C)C1CC1 49952706 167039498 /nfs/dbraw/zinc/03/94/98/167039498.db2.gz HKQBOKCJJPWCNR-KOLCDFICSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@@H](C)[C@H](C[NH3+])N(C)C1CC1 49952706 167039499 /nfs/dbraw/zinc/03/94/99/167039499.db2.gz HKQBOKCJJPWCNR-KOLCDFICSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@@H](C)c1nnc2n1CC[NH2+]C2 53709786 167039901 /nfs/dbraw/zinc/03/99/01/167039901.db2.gz GTWMHVWQHBUTHP-MRVPVSSYSA-N 1 1 194.282 1.285 10 0 ADAEMO CCC[C@@H](C)[C@@H](CN)[N@@H+](C)CC 49952696 167040270 /nfs/dbraw/zinc/04/02/70/167040270.db2.gz HZSAWHLBSMSZRG-NXEZZACHSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[C@@H](C)[C@@H](C[NH3+])N(C)CC 49952696 167040274 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CCC[C@@H](C[NH3+])N1CCC(C)CC1 22215657 167040670 /nfs/dbraw/zinc/04/06/70/167040670.db2.gz YSGZLRQWNSVPSM-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@H](C[NH3+])N(CC)CC 96315777 167040748 /nfs/dbraw/zinc/04/07/48/167040748.db2.gz JUZYJKREROEOLG-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CCC[C@@H](CC)[NH2+]CC(=O)OCC 50404228 167041345 /nfs/dbraw/zinc/04/13/45/167041345.db2.gz FRGPWEPXHIUKDL-SECBINFHSA-N 1 1 187.283 1.718 10 0 ADAEMO CCC[C@@H](CN)[N@H+]1CCC[C@@H]1C 37910319 167041532 /nfs/dbraw/zinc/04/15/32/167041532.db2.gz ALNDPUHXZVUDFA-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@@H](CN)[N@H+]1CCCC[C@@H]1C 22170546 167041925 /nfs/dbraw/zinc/04/19/25/167041925.db2.gz ULNDFBAGUDMSFX-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@H](CC)[NH2+][C@H](C)C(=O)OC 50403511 167042221 /nfs/dbraw/zinc/04/22/21/167042221.db2.gz CNPXRMIBOPWJNB-RKDXNWHRSA-N 1 1 187.283 1.716 10 0 ADAEMO CCC[C@@H](CN)[N@H+]1CCC[C@H](C)C1 36875042 167042449 /nfs/dbraw/zinc/04/24/49/167042449.db2.gz 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CCC[C@@H]([NH3+])C(=O)OCCC(C)C 48636178 167045368 /nfs/dbraw/zinc/04/53/68/167045368.db2.gz PLSHPTTWOBFQNS-SECBINFHSA-N 1 1 187.283 1.703 10 0 ADAEMO CCC[C@@H](N)C[N@H+]1CCCC[C@@H]1C 36873497 167045454 /nfs/dbraw/zinc/04/54/54/167045454.db2.gz CBSMJYGBJYIJJM-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@H]([NH3+])CN1CCCC[C@@H]1C 36873497 167045455 /nfs/dbraw/zinc/04/54/55/167045455.db2.gz CBSMJYGBJYIJJM-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@H](N)C[NH2+][C@@H]1CC1(C)C 45137923 167045464 /nfs/dbraw/zinc/04/54/64/167045464.db2.gz VVHCZSUCSPATSQ-RKDXNWHRSA-N 1 1 170.300 1.502 10 0 ADAEMO CCC[C@@H](N)C[NH2+]CC(C)(C)C 40494988 167045702 /nfs/dbraw/zinc/04/57/02/167045702.db2.gz OEVBMUABWSVWPL-SECBINFHSA-N 1 1 172.316 1.750 10 0 ADAEMO CCC[C@@H](N)C[N@@H+]1CCC[C@@H]1C 37911207 167045840 /nfs/dbraw/zinc/04/58/40/167045840.db2.gz ZAMMRPQSNBKLCJ-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@@H](N)C[N@H+]1CCC[C@@H]1C 37911207 167045841 /nfs/dbraw/zinc/04/58/41/167045841.db2.gz 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CCC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C)C1 37743091 167053559 /nfs/dbraw/zinc/05/35/59/167053559.db2.gz MDKHKFVNDRIHGU-GMTAPVOTSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C)C1 37743089 167053831 /nfs/dbraw/zinc/05/38/31/167053831.db2.gz MDKHKFVNDRIHGU-OUAUKWLOSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@@H]1CC[C@H](O)C[N@H+]1C 14680517 167053886 /nfs/dbraw/zinc/05/38/86/167053886.db2.gz MSYUGRASNIEUCW-BDAKNGLRSA-N 1 1 157.257 1.242 10 0 ADAEMO CCC[C@@H]1CC[N@H+](CC[NH3+])C1 77261025 167054302 /nfs/dbraw/zinc/05/43/02/167054302.db2.gz ORNPSRAJNWEAKH-SECBINFHSA-N 1 1 156.273 1.067 10 0 ADAEMO CCC[C@@H]1CCN(CC[NH3+])C1 77261025 167054308 /nfs/dbraw/zinc/05/43/08/167054308.db2.gz ORNPSRAJNWEAKH-SECBINFHSA-N 1 1 156.273 1.067 10 0 ADAEMO CCC[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 65743366 167055056 /nfs/dbraw/zinc/05/50/56/167055056.db2.gz BWWDKXMHDNDMEB-BDAKNGLRSA-N 1 1 185.267 1.280 10 0 in-vitro ADAEMO CCC[C@@H]1[NH+]=C(N)O[C@H]1CCC 13588716 167055340 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10 0 ADAEMO CCC[C@@](C)(N)C[N@@H+]1CCC[C@@H]1C 37911225 167058268 /nfs/dbraw/zinc/05/82/68/167058268.db2.gz ISPMFFLBUAQLPI-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@](C)(N)C[N@H+]1CCC[C@@H]1C 37911225 167058269 /nfs/dbraw/zinc/05/82/69/167058269.db2.gz ISPMFFLBUAQLPI-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@](C)(C[NH2+]C)CN(C)C 51214376 167058346 /nfs/dbraw/zinc/05/83/46/167058346.db2.gz ZLSRFYWKYSDCQS-JTQLQIEISA-N 1 1 172.316 1.574 10 0 ADAEMO CCC[C@@](C)(N)C[NH2+][C@H]1CC1(C)C 45137992 167058444 /nfs/dbraw/zinc/05/84/44/167058444.db2.gz QGCYSYKSFQNHEU-GXSJLCMTSA-N 1 1 184.327 1.892 10 0 ADAEMO CCC[C@@](C)(CN)[N@H+]1CCC[C@@H]1C 37910353 167058603 /nfs/dbraw/zinc/05/86/03/167058603.db2.gz YPMKYPNIVRYALG-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@@](C)(CO)C[N@@H+](C)C1CC1 51292818 167058697 /nfs/dbraw/zinc/05/86/97/167058697.db2.gz LCQBCMJKJMPECA-LLVKDONJSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[C@@](C)(CN)C[NH+]1CCCC1 51208052 167059026 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CCC[C@@](C)(CN)C[N@@H+](C)CC 51214958 167060232 /nfs/dbraw/zinc/06/02/32/167060232.db2.gz IQUFJEQKDUINNJ-JTQLQIEISA-N 1 1 172.316 1.703 10 0 ADAEMO CCC[C@@](C)(C[NH3+])CN(C)C1CC1 51215150 167060288 /nfs/dbraw/zinc/06/02/88/167060288.db2.gz FEUZQHMFCWSXSY-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@](C)(CN)C[N@H+](C)C1CC1 51215150 167060290 /nfs/dbraw/zinc/06/02/90/167060290.db2.gz FEUZQHMFCWSXSY-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@](C)(CN)C[N@@H+](C)C1CC1 51215150 167060291 /nfs/dbraw/zinc/06/02/91/167060291.db2.gz FEUZQHMFCWSXSY-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@](C)(N)C[NH2+]CC 40409387 167060426 /nfs/dbraw/zinc/06/04/26/167060426.db2.gz ZMFZLMVUDXQIFT-MRVPVSSYSA-N 1 1 144.262 1.113 10 0 ADAEMO CCC[C@@](C)(C[NH3+])N(C)C 19482468 167060440 /nfs/dbraw/zinc/06/04/40/167060440.db2.gz SAOJFJJKIZRGLU-QMMMGPOBSA-N 1 1 144.262 1.066 10 0 ADAEMO CCC[C@H](C)C[N@@H+](C)C[C@@H](C)O 51837627 167063366 /nfs/dbraw/zinc/06/33/66/167063366.db2.gz 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/nfs/dbraw/zinc/07/90/56/167079056.db2.gz ULNDFBAGUDMSFX-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H](CN)[N@H+]1CCC[C@@H]1C 37910320 167079118 /nfs/dbraw/zinc/07/91/18/167079118.db2.gz ALNDPUHXZVUDFA-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)OCCC(C)C 48636175 167079657 /nfs/dbraw/zinc/07/96/57/167079657.db2.gz PLSHPTTWOBFQNS-VIFPVBQESA-N 1 1 187.283 1.703 10 0 ADAEMO CCC[C@H](C[NH3+])N1CCC(C)CC1 22215661 167079716 /nfs/dbraw/zinc/07/97/16/167079716.db2.gz YSGZLRQWNSVPSM-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H]([NH3+])C(=O)OCC(C)C 38251287 167079884 /nfs/dbraw/zinc/07/98/84/167079884.db2.gz GCPGQEQSARIDDV-QMMMGPOBSA-N 1 1 173.256 1.313 10 0 ADAEMO CCC[C@H](C[NH3+])N1CCCCC1 22216700 167080027 /nfs/dbraw/zinc/08/00/27/167080027.db2.gz FNFCVGIMCCPXGL-SNVBAGLBSA-N 1 1 170.300 1.600 10 0 ADAEMO CCC[C@H](CN)[N@H+]1CCC[C@H](C)C1 36875043 167080474 /nfs/dbraw/zinc/08/04/74/167080474.db2.gz QCMOVEVLDZRKNL-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H]([NH3+])c1nc(CCOC)no1 42436266 167080889 /nfs/dbraw/zinc/08/08/89/167080889.db2.gz PXLCFMVGXFIQDP-ZETCQYMHSA-N 1 1 199.254 1.058 10 0 ADAEMO CCC[C@H]([NH3+])[C@H](N)CCC 39406433 167081046 /nfs/dbraw/zinc/08/10/46/167081046.db2.gz NHOGRGYHBHZMIL-OCAPTIKFSA-N 1 1 144.262 1.241 10 0 ADAEMO CCC[C@H](N)[C@H]([NH3+])CCC 39406433 167081050 /nfs/dbraw/zinc/08/10/50/167081050.db2.gz NHOGRGYHBHZMIL-OCAPTIKFSA-N 1 1 144.262 1.241 10 0 ADAEMO CCC[C@H](N)C[NH2+]C1CCC1 52212367 167081155 /nfs/dbraw/zinc/08/11/55/167081155.db2.gz GLFIDOODSPLVLR-QMMMGPOBSA-N 1 1 156.273 1.256 10 0 ADAEMO CCC[C@H]([NH3+])c1nc(COC)no1 49671986 167081239 /nfs/dbraw/zinc/08/12/39/167081239.db2.gz SUYBBUJHRHUZBW-LURJTMIESA-N 1 1 185.227 1.016 10 0 ADAEMO CCC[C@H]([NH3+])[C@@H](CC)N(C)C 19266096 167081758 /nfs/dbraw/zinc/08/17/58/167081758.db2.gz QYCNDSRONDZJDX-DTWKUNHWSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[C@H](N)C[N@H+]1CCCC[C@@H]1C 36873496 167082044 /nfs/dbraw/zinc/08/20/44/167082044.db2.gz CBSMJYGBJYIJJM-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H]([NH3+])CN1CCCC[C@@H]1C 36873496 167082046 /nfs/dbraw/zinc/08/20/46/167082046.db2.gz CBSMJYGBJYIJJM-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H](N)C[NH2+]C(C1CC1)C1CC1 49237957 167082167 /nfs/dbraw/zinc/08/21/67/167082167.db2.gz UBQSQTILKCXJGN-NSHDSACASA-N 1 1 196.338 1.892 10 0 ADAEMO CCC[C@H](N)C[N@H+]1CCC[C@H](C)C1 36873506 167082394 /nfs/dbraw/zinc/08/23/94/167082394.db2.gz SAOYSXZDIQUTAQ-QWRGUYRKSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H]([NH3+])CN1CCC[C@H](C)C1 36873506 167082398 /nfs/dbraw/zinc/08/23/98/167082398.db2.gz SAOYSXZDIQUTAQ-QWRGUYRKSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H](N)C[NH2+][C@@H]1CC1(C)C 45137921 167082621 /nfs/dbraw/zinc/08/26/21/167082621.db2.gz VVHCZSUCSPATSQ-DTWKUNHWSA-N 1 1 170.300 1.502 10 0 ADAEMO CCC[C@H]([NH3+])c1nc(C2CC2)no1 36830902 167082698 /nfs/dbraw/zinc/08/26/98/167082698.db2.gz XLBSQZITUYDKAD-ZETCQYMHSA-N 1 1 181.239 1.747 10 0 ADAEMO CCC[C@H](N)[C@@H]([NH3+])CCC 39406437 167082932 /nfs/dbraw/zinc/08/29/32/167082932.db2.gz NHOGRGYHBHZMIL-YUMQZZPRSA-N 1 1 144.262 1.241 10 0 ADAEMO CCC[C@H](N)[C@H](CC)[NH+]1CCCC1 19281423 167082964 /nfs/dbraw/zinc/08/29/64/167082964.db2.gz QAFMKQBXRCKXFZ-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@H](N)C[NH2+][C@H]1CC1(C)C 45137925 167083088 /nfs/dbraw/zinc/08/30/88/167083088.db2.gz VVHCZSUCSPATSQ-IUCAKERBSA-N 1 1 170.300 1.502 10 0 ADAEMO CCC[C@H](N)[C@@H](CC)[NH+]1CCCC1 19281419 167083187 /nfs/dbraw/zinc/08/31/87/167083187.db2.gz QAFMKQBXRCKXFZ-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO Cc1cccn2c(C)[nH+]c(CO)c12 134041986 343932135 /nfs/dbraw/zinc/93/21/35/343932135.db2.gz YGEXALJOOQHABC-UHFFFAOYSA-N 1 1 176.219 1.443 10 0 ADAEMO CCC[C@H]([NH3+])[C@H](CC)N(C)C 19266100 167083389 /nfs/dbraw/zinc/08/33/89/167083389.db2.gz QYCNDSRONDZJDX-IUCAKERBSA-N 1 1 158.289 1.454 10 0 ADAEMO CCC[C@H]([NH3+])c1nc(C(C)C)no1 36830868 167083619 /nfs/dbraw/zinc/08/36/19/167083619.db2.gz FKEFUQIBHCASNH-ZETCQYMHSA-N 1 1 183.255 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OEVBMUABWSVWPL-VIFPVBQESA-N 1 1 172.316 1.750 10 0 ADAEMO CCC[C@H](O)Cc1[nH+]ccn1CC 63038590 167084684 /nfs/dbraw/zinc/08/46/84/167084684.db2.gz OCSFAHQBZBXXJU-VIFPVBQESA-N 1 1 182.267 1.607 10 0 ADAEMO CCC[C@H]([NH2+]C1CCCC1)C(=O)OC 37970302 167086058 /nfs/dbraw/zinc/08/60/58/167086058.db2.gz CNIFZNVJGDCHIX-JTQLQIEISA-N 1 1 199.294 1.860 10 0 ADAEMO CCC[C@H](O)Cc1[nH]cc[nH+]1 41043157 167086111 /nfs/dbraw/zinc/08/61/11/167086111.db2.gz UKOHMYVXVRXUBT-ZETCQYMHSA-N 1 1 154.213 1.113 10 0 ADAEMO CCC[C@H]([NH2+]CC1CC1)C(=O)OCC 37968284 167086171 /nfs/dbraw/zinc/08/61/71/167086171.db2.gz VIZSTFJOVJNSBR-JTQLQIEISA-N 1 1 199.294 1.718 10 0 ADAEMO CCC[C@H]([NH2+]CC1CC1)C(=O)OC 37967920 167086273 /nfs/dbraw/zinc/08/62/73/167086273.db2.gz QYMXZOCJEQGIBW-VIFPVBQESA-N 1 1 185.267 1.328 10 0 ADAEMO CCC[C@H](O)[C@@H](CC)[N@@H+](C)CC 44127757 167086590 /nfs/dbraw/zinc/08/65/90/167086590.db2.gz LNAMQYPWOLCURX-ZJUUUORDSA-N 1 1 173.300 1.878 10 0 ADAEMO CCC[C@H](O)[C@H](CC)[N@@H+](C)CC 44127761 167086609 /nfs/dbraw/zinc/08/66/09/167086609.db2.gz LNAMQYPWOLCURX-UWVGGRQHSA-N 1 1 173.300 1.878 10 0 ADAEMO CCC[C@H]1CCC[N@H+]1CCN 75542966 167086911 /nfs/dbraw/zinc/08/69/11/167086911.db2.gz ZOHPVNZNRITMCZ-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO CCC[C@H]1C[N@@H+](C(C)C)CCN1 77264197 167087635 /nfs/dbraw/zinc/08/76/35/167087635.db2.gz CBYMMLGSBCJMPO-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO CCC[C@H]1C[N@H+](C(C)C)CCN1 77264197 167087637 /nfs/dbraw/zinc/08/76/37/167087637.db2.gz CBYMMLGSBCJMPO-JTQLQIEISA-N 1 1 170.300 1.469 10 0 ADAEMO CCC[C@H]1CC[N@H+](CC[NH3+])C1 77261026 167088445 /nfs/dbraw/zinc/08/84/45/167088445.db2.gz ORNPSRAJNWEAKH-VIFPVBQESA-N 1 1 156.273 1.067 10 0 ADAEMO CCC[C@H]1CCN(CC[NH3+])C1 77261026 167088448 /nfs/dbraw/zinc/08/84/48/167088448.db2.gz ORNPSRAJNWEAKH-VIFPVBQESA-N 1 1 156.273 1.067 10 0 ADAEMO CCC[C@H]1C[N@@H+](C2CC2)CCN1 77263151 167089865 /nfs/dbraw/zinc/08/98/65/167089865.db2.gz LAUJJWMWOODTTB-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CCC[C@H]1C[N@H+](C2CC2)CCN1 77263151 167089870 /nfs/dbraw/zinc/08/98/70/167089870.db2.gz LAUJJWMWOODTTB-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CCC[C@H]1C[N@@H+]([C@@H]2CCOC2)CCO1 336319947 167090100 /nfs/dbraw/zinc/09/01/00/167090100.db2.gz GKDBPQVFOVRXBJ-MNOVXSKESA-N 1 1 199.294 1.276 10 0 ADAEMO CCC[C@H]1C[N@H+]([C@@H]2CCOC2)CCO1 336319947 167090102 /nfs/dbraw/zinc/09/01/02/167090102.db2.gz GKDBPQVFOVRXBJ-MNOVXSKESA-N 1 1 199.294 1.276 10 0 ADAEMO CCC[C@H]1C[N@@H+]([C@H]2CCOC2)CCO1 336319948 167090888 /nfs/dbraw/zinc/09/08/88/167090888.db2.gz GKDBPQVFOVRXBJ-QWRGUYRKSA-N 1 1 199.294 1.276 10 0 ADAEMO CCC[C@H]1C[N@H+]([C@H]2CCOC2)CCO1 336319948 167090890 /nfs/dbraw/zinc/09/08/90/167090890.db2.gz GKDBPQVFOVRXBJ-QWRGUYRKSA-N 1 1 199.294 1.276 10 0 ADAEMO CCC[C@H]1CN[C@H](CCC)C[NH2+]1 39113787 167091735 /nfs/dbraw/zinc/09/17/35/167091735.db2.gz JQZPCMFJWFUIAY-AOOOYVTPSA-N 1 1 170.300 1.517 10 0 ADAEMO CCC[C@](C)(C[NH3+])CN(C)C1CC1 51215151 167092254 /nfs/dbraw/zinc/09/22/54/167092254.db2.gz FEUZQHMFCWSXSY-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@](C)(CN)C[N@H+](C)C1CC1 51215151 167092256 /nfs/dbraw/zinc/09/22/56/167092256.db2.gz FEUZQHMFCWSXSY-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@](C)(CN)C[N@@H+](C)C1CC1 51215151 167092259 /nfs/dbraw/zinc/09/22/59/167092259.db2.gz FEUZQHMFCWSXSY-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@](C)(CN)C[N@H+](C)CC 51214959 167092446 /nfs/dbraw/zinc/09/24/46/167092446.db2.gz IQUFJEQKDUINNJ-SNVBAGLBSA-N 1 1 172.316 1.703 10 0 ADAEMO CCC[C@](C)(CN)C[N@@H+](C)CC 51214959 167092447 /nfs/dbraw/zinc/09/24/47/167092447.db2.gz IQUFJEQKDUINNJ-SNVBAGLBSA-N 1 1 172.316 1.703 10 0 ADAEMO CCC[C@](C)(CN)C[NH+]1CCCC1 51208055 167092616 /nfs/dbraw/zinc/09/26/16/167092616.db2.gz LNZWDFLUMXPWOZ-LLVKDONJSA-N 1 1 184.327 1.847 10 0 ADAEMO CCC[C@](C)([NH3+])CN1CCCCC1 37480873 167092646 /nfs/dbraw/zinc/09/26/46/167092646.db2.gz CSYNSXZAPWVLRJ-NSHDSACASA-N 1 1 184.327 1.990 10 0 ADAEMO CCC[C@](C)(C[NH2+]CC)CN(C)C 51214379 167092907 /nfs/dbraw/zinc/09/29/07/167092907.db2.gz ZBGGIDWIAXDFGL-LLVKDONJSA-N 1 1 186.343 1.964 10 0 ADAEMO CCC[C@](C)(N)C[NH2+][C@@H]1CC1(C)C 45137986 167092993 /nfs/dbraw/zinc/09/29/93/167092993.db2.gz QGCYSYKSFQNHEU-KOLCDFICSA-N 1 1 184.327 1.892 10 0 ADAEMO CCC[C@](C)(N)C[N@@H+]1CCC[C@@H]1C 37911224 167093015 /nfs/dbraw/zinc/09/30/15/167093015.db2.gz ISPMFFLBUAQLPI-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@](C)(N)C[N@H+]1CCC[C@@H]1C 37911224 167093018 /nfs/dbraw/zinc/09/30/18/167093018.db2.gz ISPMFFLBUAQLPI-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@](C)(C[NH3+])N(C)C 19482470 167093120 /nfs/dbraw/zinc/09/31/20/167093120.db2.gz SAOJFJJKIZRGLU-MRVPVSSYSA-N 1 1 144.262 1.066 10 0 ADAEMO CCC[C@](C)(CN)[N@@H+](C)C(C)C 96319813 167093131 /nfs/dbraw/zinc/09/31/31/167093131.db2.gz KDLOEBHAZWBXCZ-SNVBAGLBSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC[C@](C)(CO)C[N@@H+](C)CC 51292768 167093239 /nfs/dbraw/zinc/09/32/39/167093239.db2.gz YFMNSRGIWISFQA-JTQLQIEISA-N 1 1 173.300 1.737 10 0 ADAEMO CCC[C@](C)(C[NH2+]C)CN(C)C 51214377 167093750 /nfs/dbraw/zinc/09/37/50/167093750.db2.gz ZLSRFYWKYSDCQS-SNVBAGLBSA-N 1 1 172.316 1.574 10 0 ADAEMO CCC[C@](C)(CN)[N@H+]1CCC[C@@H]1C 37910354 167093759 /nfs/dbraw/zinc/09/37/59/167093759.db2.gz YPMKYPNIVRYALG-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[C@](C)(N)C[NH2+]C1CCC1 52212427 167093799 /nfs/dbraw/zinc/09/37/99/167093799.db2.gz QGQIETSORUUXQT-JTQLQIEISA-N 1 1 170.300 1.646 10 0 ADAEMO CCC[C@](C)(CN)[N@H+](C)CCOC 42458800 167094130 /nfs/dbraw/zinc/09/41/30/167094130.db2.gz KDBOKSKKVLPMDT-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CCC[C@](C)(CN)[N@@H+](C)CCOC 42458800 167094134 /nfs/dbraw/zinc/09/41/34/167094134.db2.gz KDBOKSKKVLPMDT-SNVBAGLBSA-N 1 1 188.315 1.082 10 0 ADAEMO CCC[C@](C)([NH3+])CN1CCCC1 37480777 167094160 /nfs/dbraw/zinc/09/41/60/167094160.db2.gz BRRFWZABTLNOGT-JTQLQIEISA-N 1 1 170.300 1.600 10 0 ADAEMO CCC[C@](C)(N)C[NH+]1CCCC1 37480777 167094163 /nfs/dbraw/zinc/09/41/63/167094163.db2.gz BRRFWZABTLNOGT-JTQLQIEISA-N 1 1 170.300 1.600 10 0 ADAEMO CCC[C@](C)(N)C[NH2+][C@H]1CC1(C)C 45137990 167094521 /nfs/dbraw/zinc/09/45/21/167094521.db2.gz QGCYSYKSFQNHEU-ONGXEEELSA-N 1 1 184.327 1.892 10 0 ADAEMO CCC[C@](C)(CO)C[N@@H+](C)C1CC1 51292816 167094654 /nfs/dbraw/zinc/09/46/54/167094654.db2.gz LCQBCMJKJMPECA-NSHDSACASA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[C@](C)(N)C[NH2+]CC 40409383 167094680 /nfs/dbraw/zinc/09/46/80/167094680.db2.gz ZMFZLMVUDXQIFT-QMMMGPOBSA-N 1 1 144.262 1.113 10 0 ADAEMO CCCc1[nH]nc2c1[C@@H]([NH3+])CC2 72415420 167095957 /nfs/dbraw/zinc/09/59/57/167095957.db2.gz UAUYEMMTQJBVKM-LURJTMIESA-N 1 1 165.240 1.308 10 0 ADAEMO CCCc1[nH]nc2c1[C@H]([NH3+])CC2 72415421 167096740 /nfs/dbraw/zinc/09/67/40/167096740.db2.gz UAUYEMMTQJBVKM-ZCFIWIBFSA-N 1 1 165.240 1.308 10 0 ADAEMO CCCc1n[nH]c2c1C[N@@H+](C)CC2 82807604 167096749 /nfs/dbraw/zinc/09/67/49/167096749.db2.gz CLSSMGAMWQHDSC-UHFFFAOYSA-N 1 1 179.267 1.350 10 0 ADAEMO CCCc1[nH]nc2c1C[N@H+](C)CC2 82807604 167096752 /nfs/dbraw/zinc/09/67/52/167096752.db2.gz CLSSMGAMWQHDSC-UHFFFAOYSA-N 1 1 179.267 1.350 10 0 ADAEMO CCCc1[nH]nc2c1C[N@@H+](C)CC2 82807604 167096754 /nfs/dbraw/zinc/09/67/54/167096754.db2.gz CLSSMGAMWQHDSC-UHFFFAOYSA-N 1 1 179.267 1.350 10 0 ADAEMO CCCc1[nH]nc(C)c1C[NH3+] 66135288 167097273 /nfs/dbraw/zinc/09/72/73/167097273.db2.gz LXSRJTLBDGQBQG-UHFFFAOYSA-N 1 1 153.229 1.129 10 0 ADAEMO CCCc1cc(N)nc(CCC)[nH+]1 50845759 167098517 /nfs/dbraw/zinc/09/85/17/167098517.db2.gz CDQFSLNTJCWPAD-UHFFFAOYSA-N 1 1 179.267 1.964 10 0 ADAEMO CCCc1c(C[NH+](C)C)nn(C)c1N 26511931 167099657 /nfs/dbraw/zinc/09/96/57/167099657.db2.gz PTERHJZXMVKERX-UHFFFAOYSA-N 1 1 196.298 1.016 10 0 ADAEMO CCCc1cc(N)nc(C)[nH+]1 1736162 167099666 /nfs/dbraw/zinc/09/96/66/167099666.db2.gz BQTHCRALGGIOMG-UHFFFAOYSA-N 1 1 151.213 1.320 10 0 ADAEMO CCCc1cc(N)nc(CC)[nH+]1 50845605 167099876 /nfs/dbraw/zinc/09/98/76/167099876.db2.gz QZWKUQBSGVTBOR-UHFFFAOYSA-N 1 1 165.240 1.574 10 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136.198 1.616 10 0 ADAEMO CCCc1cnc(C[NH3+])o1 77260252 167107436 /nfs/dbraw/zinc/10/74/36/167107436.db2.gz WHMOBPADJPEYOH-UHFFFAOYSA-N 1 1 140.186 1.086 10 0 ADAEMO C1=CCC([N@@H+]2CCN[C@H](C3CC3)C2)C1 133837329 343928283 /nfs/dbraw/zinc/92/82/83/343928283.db2.gz VMNVKEZLMQUXOP-LBPRGKRZSA-N 1 1 192.306 1.389 10 0 ADAEMO C1=CCC(N2CC[NH2+][C@H](C3CC3)C2)C1 133837329 343928284 /nfs/dbraw/zinc/92/82/84/343928284.db2.gz VMNVKEZLMQUXOP-LBPRGKRZSA-N 1 1 192.306 1.389 10 0 ADAEMO CCCc1nc(CCC(C)(C)[NH3+])n[nH]1 50197344 167108583 /nfs/dbraw/zinc/10/85/83/167108583.db2.gz GSJAKMAOAVNFND-UHFFFAOYSA-N 1 1 196.298 1.427 10 0 ADAEMO CCCc1nnc(CCC(C)(C)[NH3+])[nH]1 50197344 167108586 /nfs/dbraw/zinc/10/85/86/167108586.db2.gz GSJAKMAOAVNFND-UHFFFAOYSA-N 1 1 196.298 1.427 10 0 ADAEMO CCCc1[nH+]c(C2CC2)n(N)c1N 52838944 167108603 /nfs/dbraw/zinc/10/86/03/167108603.db2.gz YHLLVCYVPHJZLO-UHFFFAOYSA-N 1 1 180.255 1.009 10 0 ADAEMO CCCc1nc(CCCCC[NH3+])n[nH]1 41058653 167108730 /nfs/dbraw/zinc/10/87/30/167108730.db2.gz MHCUQCVYGCMDHK-UHFFFAOYSA-N 1 1 196.298 1.429 10 0 ADAEMO CCCc1nnc(CCCCC[NH3+])[nH]1 41058653 167108734 /nfs/dbraw/zinc/10/87/34/167108734.db2.gz MHCUQCVYGCMDHK-UHFFFAOYSA-N 1 1 196.298 1.429 10 0 ADAEMO CCCc1nc(NC)cc(C)[nH+]1 50848573 167108742 /nfs/dbraw/zinc/10/87/42/167108742.db2.gz OHQAGRBIQVEWBC-UHFFFAOYSA-N 1 1 165.240 1.779 10 0 ADAEMO CCCc1[nH+]c(C2CC2)c(N)n1N 52839327 167108981 /nfs/dbraw/zinc/10/89/81/167108981.db2.gz MWTNVJDTLWUVIM-UHFFFAOYSA-N 1 1 180.255 1.009 10 0 ADAEMO CCCc1nnc(C2CC[NH2+]CC2)[nH]1 41058634 167109107 /nfs/dbraw/zinc/10/91/07/167109107.db2.gz BHQJIBRJHUIDQF-UHFFFAOYSA-N 1 1 194.282 1.224 10 0 ADAEMO CCCc1nc(C2CC[NH2+]CC2)n[nH]1 41058634 167109110 /nfs/dbraw/zinc/10/91/10/167109110.db2.gz BHQJIBRJHUIDQF-UHFFFAOYSA-N 1 1 194.282 1.224 10 0 ADAEMO CCCc1[nH+]c(C(C)(C)C)n(N)c1N 52839613 167109127 /nfs/dbraw/zinc/10/91/27/167109127.db2.gz PZUWFPSCICPBCX-UHFFFAOYSA-N 1 1 196.298 1.429 10 0 ADAEMO CCCc1ncc([C@@H](C)[NH3+])[nH]1 82510360 167109250 /nfs/dbraw/zinc/10/92/50/167109250.db2.gz BWDPEPAXUVBDMC-ZCFIWIBFSA-N 1 1 153.229 1.382 10 0 ADAEMO CCCc1nnc(CC[NH2+]C(C)C)[nH]1 41058589 167109362 /nfs/dbraw/zinc/10/93/62/167109362.db2.gz MBUISFWDJKFTLM-UHFFFAOYSA-N 1 1 196.298 1.298 10 0 ADAEMO CCCc1nc(CC[NH2+]C(C)C)n[nH]1 41058589 167109364 /nfs/dbraw/zinc/10/93/64/167109364.db2.gz MBUISFWDJKFTLM-UHFFFAOYSA-N 1 1 196.298 1.298 10 0 ADAEMO CCCc1[nH+]c(CC(C)C)c(N)n1N 52839295 167109410 /nfs/dbraw/zinc/10/94/10/167109410.db2.gz CENSRVAAGCWFJU-UHFFFAOYSA-N 1 1 196.298 1.330 10 0 ADAEMO CCCc1nnc(C[C@@H]2CCC[NH2+]2)[nH]1 42164357 167109454 /nfs/dbraw/zinc/10/94/54/167109454.db2.gz WFHYIAOQIBENAP-QMMMGPOBSA-N 1 1 194.282 1.052 10 0 ADAEMO CCCc1nc(C[C@@H]2CCC[NH2+]2)n[nH]1 42164357 167109456 /nfs/dbraw/zinc/10/94/56/167109456.db2.gz WFHYIAOQIBENAP-QMMMGPOBSA-N 1 1 194.282 1.052 10 0 ADAEMO CCCc1[nH+]c([C@@H](C)CC)c(N)n1N 52839319 167109765 /nfs/dbraw/zinc/10/97/65/167109765.db2.gz 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/nfs/dbraw/zinc/11/11/26/167111126.db2.gz OWSGJUUPKPLPCH-UHFFFAOYSA-N 1 1 182.271 1.255 10 0 ADAEMO CCCc1nnc(CC[NH2+]C2CC2)[nH]1 41058586 167111185 /nfs/dbraw/zinc/11/11/85/167111185.db2.gz DLQNYRFMJKPWHJ-UHFFFAOYSA-N 1 1 194.282 1.052 10 0 ADAEMO CCCc1nc(CC[NH2+]C2CC2)n[nH]1 41058586 167111190 /nfs/dbraw/zinc/11/11/90/167111190.db2.gz DLQNYRFMJKPWHJ-UHFFFAOYSA-N 1 1 194.282 1.052 10 0 ADAEMO CCCc1[nH+]c(CCC)n(N)c1N 52839293 167111578 /nfs/dbraw/zinc/11/15/78/167111578.db2.gz YYGPMHSBRBWJHZ-UHFFFAOYSA-N 1 1 182.271 1.084 10 0 ADAEMO CCCc1[nH+]c([C@H](C)CC)c(N)n1N 52839320 167112115 /nfs/dbraw/zinc/11/21/15/167112115.db2.gz AWLPGRSAKCOLGP-SSDOTTSWSA-N 1 1 196.298 1.645 10 0 ADAEMO CCCc1[nH+]c[nH]c1C 5424064 167112328 /nfs/dbraw/zinc/11/23/28/167112328.db2.gz DMMJOFFEWKZGST-UHFFFAOYSA-N 1 1 124.187 1.671 10 0 ADAEMO CCCc1[nH]c[nH+]c1C 5424064 167112329 /nfs/dbraw/zinc/11/23/29/167112329.db2.gz DMMJOFFEWKZGST-UHFFFAOYSA-N 1 1 124.187 1.671 10 0 ADAEMO CCCc1ncc([C@H](C)[NH3+])[nH]1 82510361 167112485 /nfs/dbraw/zinc/11/24/85/167112485.db2.gz BWDPEPAXUVBDMC-LURJTMIESA-N 1 1 153.229 1.382 10 0 ADAEMO CCCc1nc2n(c1CC)CC[NH2+]C2 62605504 167113153 /nfs/dbraw/zinc/11/31/53/167113153.db2.gz ZXQHCONOHHVFOL-UHFFFAOYSA-N 1 1 193.294 1.501 10 0 ADAEMO CCCc1n[nH]c([C@@H]2CCC[NH2+]C2)n1 41058645 167113366 /nfs/dbraw/zinc/11/33/66/167113366.db2.gz ZRMLYOKMMLLOCY-MRVPVSSYSA-N 1 1 194.282 1.224 10 0 ADAEMO CCCc1nc([C@@H]2CCC[NH2+]C2)n[nH]1 41058645 167113368 /nfs/dbraw/zinc/11/33/68/167113368.db2.gz ZRMLYOKMMLLOCY-MRVPVSSYSA-N 1 1 194.282 1.224 10 0 ADAEMO CCCc1nc2cc(C[NH3+])ccc2[nH]1 82588316 167113442 /nfs/dbraw/zinc/11/34/42/167113442.db2.gz PBIDWPIOUNPFON-UHFFFAOYSA-N 1 1 189.262 1.974 10 0 ADAEMO CCCc1n[nH]c([C@H]2CCC[NH2+]C2)n1 41058646 167113619 /nfs/dbraw/zinc/11/36/19/167113619.db2.gz ZRMLYOKMMLLOCY-QMMMGPOBSA-N 1 1 194.282 1.224 10 0 ADAEMO CCCc1nc([C@H]2CCC[NH2+]C2)n[nH]1 41058646 167113622 /nfs/dbraw/zinc/11/36/22/167113622.db2.gz ZRMLYOKMMLLOCY-QMMMGPOBSA-N 1 1 194.282 1.224 10 0 ADAEMO CCCc1nc2cccc(C[NH3+])c2[nH]1 82636332 167113657 /nfs/dbraw/zinc/11/36/57/167113657.db2.gz RRDKQSIWTKMLEH-UHFFFAOYSA-N 1 1 189.262 1.974 10 0 ADAEMO CCCc1noc([C@@H](C)[NH2+]C)n1 55359224 167114326 /nfs/dbraw/zinc/11/43/26/167114326.db2.gz LLJPROBRIKDITQ-ZCFIWIBFSA-N 1 1 169.228 1.303 10 0 ADAEMO CCCc1nnc([C@H](C)[NH3+])o1 50284271 167114368 /nfs/dbraw/zinc/11/43/68/167114368.db2.gz PORUPGIZSMJYGH-YFKPBYRVSA-N 1 1 155.201 1.042 10 0 ADAEMO CCCc1noc([C@H](CC)[NH2+]C)n1 44626082 167114634 /nfs/dbraw/zinc/11/46/34/167114634.db2.gz UJKZTGFGHXIWMC-ZETCQYMHSA-N 1 1 183.255 1.693 10 0 ADAEMO CCCc1noc(C(C)(C)[NH2+]C)n1 61151399 167114911 /nfs/dbraw/zinc/11/49/11/167114911.db2.gz MKFRNMLANNIKOA-UHFFFAOYSA-N 1 1 183.255 1.477 10 0 ADAEMO CCCc1nnc([C@@H](C)[NH3+])o1 50284270 167115006 /nfs/dbraw/zinc/11/50/06/167115006.db2.gz PORUPGIZSMJYGH-RXMQYKEDSA-N 1 1 155.201 1.042 10 0 ADAEMO CCCc1noc([C@@H]([NH3+])CC)n1 36915782 167115510 /nfs/dbraw/zinc/11/55/10/167115510.db2.gz VSMXZGFNGJXBOT-LURJTMIESA-N 1 1 169.228 1.432 10 0 ADAEMO CCCc1noc([C@H]([NH3+])C2CC2)n1 54503044 167115545 /nfs/dbraw/zinc/11/55/45/167115545.db2.gz CWFMTTVUYWYNLF-MRVPVSSYSA-N 1 1 181.239 1.432 10 0 ADAEMO CCCc1noc([C@@H]([NH3+])C2CC2)n1 54503045 167115580 /nfs/dbraw/zinc/11/55/80/167115580.db2.gz CWFMTTVUYWYNLF-QMMMGPOBSA-N 1 1 181.239 1.432 10 0 ADAEMO CCCc1noc([C@H]([NH3+])CC)n1 36915781 167115656 /nfs/dbraw/zinc/11/56/56/167115656.db2.gz VSMXZGFNGJXBOT-ZCFIWIBFSA-N 1 1 169.228 1.432 10 0 ADAEMO CCCc1noc(C[NH2+]C2CC2)n1 37396152 167115866 /nfs/dbraw/zinc/11/58/66/167115866.db2.gz ADAVQPRTLHQGCJ-UHFFFAOYSA-N 1 1 181.239 1.274 10 0 ADAEMO CCCc1noc([C@@H](CC)[NH2+]C)n1 44626080 167115955 /nfs/dbraw/zinc/11/59/55/167115955.db2.gz UJKZTGFGHXIWMC-SSDOTTSWSA-N 1 1 183.255 1.693 10 0 ADAEMO CCCc1noc(C[NH2+]C(C)C)n1 37396142 167115989 /nfs/dbraw/zinc/11/59/89/167115989.db2.gz CLSPQIMQYPLSAI-UHFFFAOYSA-N 1 1 183.255 1.520 10 0 ADAEMO CCCc1noc(C[NH2+]CC)n1 44315444 167116224 /nfs/dbraw/zinc/11/62/24/167116224.db2.gz QIRPMRYGMGUXBG-UHFFFAOYSA-N 1 1 169.228 1.132 10 0 ADAEMO CCCc1nnc([C@H]([NH3+])CC)o1 61497092 167116571 /nfs/dbraw/zinc/11/65/71/167116571.db2.gz KHJYYWSVIXEKSF-ZCFIWIBFSA-N 1 1 169.228 1.432 10 0 ADAEMO CCCc1noc([C@H](C)[NH2+]C)n1 55359225 167116629 /nfs/dbraw/zinc/11/66/29/167116629.db2.gz LLJPROBRIKDITQ-LURJTMIESA-N 1 1 169.228 1.303 10 0 ADAEMO CCCc1noc([C@H]([NH3+])C(C)C)n1 36915746 167116668 /nfs/dbraw/zinc/11/66/68/167116668.db2.gz BSESPFYPSCSVOU-MRVPVSSYSA-N 1 1 183.255 1.678 10 0 ADAEMO CCCc1noc([C@@H]([NH3+])C(C)C)n1 36915747 167116695 /nfs/dbraw/zinc/11/66/95/167116695.db2.gz BSESPFYPSCSVOU-QMMMGPOBSA-N 1 1 183.255 1.678 10 0 ADAEMO CCCc1nnc([C@@H]([NH3+])CC)o1 61497095 167116735 /nfs/dbraw/zinc/11/67/35/167116735.db2.gz KHJYYWSVIXEKSF-LURJTMIESA-N 1 1 169.228 1.432 10 0 ADAEMO CCCc1noc(C(C)(C)[NH3+])n1 40911448 167116754 /nfs/dbraw/zinc/11/67/54/167116754.db2.gz GVPUCXCVXBYVFW-UHFFFAOYSA-N 1 1 169.228 1.216 10 0 ADAEMO 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198.335 1.789 10 0 ADAEMO CC[N@H+](C)CC1(CN)CCCCC1 51214951 167140379 /nfs/dbraw/zinc/14/03/79/167140379.db2.gz VAVQOSLFBWWBSN-UHFFFAOYSA-N 1 1 184.327 1.847 10 0 ADAEMO CC[N@@H+](C)CC1(CN)CCCCC1 51214951 167140382 /nfs/dbraw/zinc/14/03/82/167140382.db2.gz VAVQOSLFBWWBSN-UHFFFAOYSA-N 1 1 184.327 1.847 10 0 ADAEMO CC[N@@H+](C)CC(C)(C)C(C)=O 17533329 167140703 /nfs/dbraw/zinc/14/07/03/167140703.db2.gz DMOKFWJLGHQDML-UHFFFAOYSA-N 1 1 157.257 1.553 10 0 ADAEMO CC[N@@H+](C)CC(C)(C)[C@@H](C)O 17499186 167140815 /nfs/dbraw/zinc/14/08/15/167140815.db2.gz JKYGHYWEZSGICB-MRVPVSSYSA-N 1 1 159.273 1.345 10 0 ADAEMO CC[N@@H+](C)CCNc1nccs1 49937538 167141115 /nfs/dbraw/zinc/14/11/15/167141115.db2.gz FTJWPJJPUZVVON-UHFFFAOYSA-N 1 1 185.296 1.507 10 0 ADAEMO CCN(CC)CC[N@H+](C)CC 19367507 167141283 /nfs/dbraw/zinc/14/12/83/167141283.db2.gz IHFOKWPYAWVPAK-UHFFFAOYSA-N 1 1 158.289 1.280 10 0 ADAEMO CCN(CC)CC[N@@H+](C)CC 19367507 167141288 /nfs/dbraw/zinc/14/12/88/167141288.db2.gz IHFOKWPYAWVPAK-UHFFFAOYSA-N 1 1 158.289 1.280 10 0 ADAEMO CCN(C)CC1([NH3+])CCCCC1 37078981 167141410 /nfs/dbraw/zinc/14/14/10/167141410.db2.gz SEFUJEOENOCTLZ-UHFFFAOYSA-N 1 1 170.300 1.600 10 0 ADAEMO CC[N@H+](C)CCNCc1ccncc1 49938167 167141494 /nfs/dbraw/zinc/14/14/94/167141494.db2.gz FMVPLYMPRLALIM-UHFFFAOYSA-N 1 1 193.294 1.123 10 0 ADAEMO CC[N@@H+](C)CCNCc1ccncc1 49938167 167141495 /nfs/dbraw/zinc/14/14/95/167141495.db2.gz FMVPLYMPRLALIM-UHFFFAOYSA-N 1 1 193.294 1.123 10 0 ADAEMO CC[N@H+](C)C[C@@H](N)c1ccc(C)cc1 37078633 167141527 /nfs/dbraw/zinc/14/15/27/167141527.db2.gz URGQBOVDUKOBPP-GFCCVEGCSA-N 1 1 192.306 1.947 10 0 ADAEMO CC[N@@H+](C)C[C@@H](N)c1ccc(C)cc1 37078633 167141529 /nfs/dbraw/zinc/14/15/29/167141529.db2.gz URGQBOVDUKOBPP-GFCCVEGCSA-N 1 1 192.306 1.947 10 0 ADAEMO CC[N@@H+](C)CCC[C@@H](C)O 45619527 167141772 /nfs/dbraw/zinc/14/17/72/167141772.db2.gz MSERCLKLCXDQKH-MRVPVSSYSA-N 1 1 145.246 1.099 10 0 ADAEMO CC[N@H+](C)CCNCc1cccnc1 49938158 167141886 /nfs/dbraw/zinc/14/18/86/167141886.db2.gz DUSWMSSLSGHAHD-UHFFFAOYSA-N 1 1 193.294 1.123 10 0 ADAEMO CC[N@@H+](C)CCNCc1cccnc1 49938158 167141887 /nfs/dbraw/zinc/14/18/87/167141887.db2.gz DUSWMSSLSGHAHD-UHFFFAOYSA-N 1 1 193.294 1.123 10 0 ADAEMO CC[N@@H+](C)CCCC[C@H](C)O 45619524 167141936 /nfs/dbraw/zinc/14/19/36/167141936.db2.gz USEHYFUIUBQISJ-VIFPVBQESA-N 1 1 159.273 1.489 10 0 ADAEMO CCN(C)CC1([NH3+])CCCC1 37479596 167142136 /nfs/dbraw/zinc/14/21/36/167142136.db2.gz GTFXNURHQXVJKA-UHFFFAOYSA-N 1 1 156.273 1.210 10 0 ADAEMO CC[N@@H+](C)CCC[C@H](C)O 45619530 167142256 /nfs/dbraw/zinc/14/22/56/167142256.db2.gz MSERCLKLCXDQKH-QMMMGPOBSA-N 1 1 145.246 1.099 10 0 ADAEMO CC[N@@H+](C)CCc1cccnc1 28467853 167142283 /nfs/dbraw/zinc/14/22/83/167142283.db2.gz QZTFLMIFZZZMFH-UHFFFAOYSA-N 1 1 164.252 1.576 10 0 ADAEMO CC[N@@H+](C)CCNCc1ccccn1 49938155 167142295 /nfs/dbraw/zinc/14/22/95/167142295.db2.gz SIKZIQRPNZAZGK-UHFFFAOYSA-N 1 1 193.294 1.123 10 0 ADAEMO CCN(C)CC[NH2+]Cc1ccccn1 49938155 167142298 /nfs/dbraw/zinc/14/22/98/167142298.db2.gz SIKZIQRPNZAZGK-UHFFFAOYSA-N 1 1 193.294 1.123 10 0 ADAEMO CC[N@@H+](C)CCCC[C@@H](C)O 45619521 167142308 /nfs/dbraw/zinc/14/23/08/167142308.db2.gz USEHYFUIUBQISJ-SECBINFHSA-N 1 1 159.273 1.489 10 0 ADAEMO CC[N@H+](C)CCNCc1ccsc1 49938169 167142443 /nfs/dbraw/zinc/14/24/43/167142443.db2.gz JKTUCLDLJSRMPW-UHFFFAOYSA-N 1 1 198.335 1.789 10 0 ADAEMO CC[N@@H+](C)CCNCc1ccsc1 49938169 167142444 /nfs/dbraw/zinc/14/24/44/167142444.db2.gz JKTUCLDLJSRMPW-UHFFFAOYSA-N 1 1 198.335 1.789 10 0 ADAEMO CC[N@@H+](C)C1CCC(=O)CC1 39134918 167142567 /nfs/dbraw/zinc/14/25/67/167142567.db2.gz RGYDRXUAUTWTID-UHFFFAOYSA-N 1 1 155.241 1.450 10 0 ADAEMO CC[N@@H+](C)C1(CN)CCCCCC1 37078505 167142595 /nfs/dbraw/zinc/14/25/95/167142595.db2.gz QOMHDFFUCRATHL-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO CC[N@@H+](C)CCc1ccccc1N 52918241 167142607 /nfs/dbraw/zinc/14/26/07/167142607.db2.gz HLNMNCPATVLCJE-UHFFFAOYSA-N 1 1 178.279 1.763 10 0 ADAEMO CC[N@@H+](C)CCCC(N)=S 37078845 167142737 /nfs/dbraw/zinc/14/27/37/167142737.db2.gz QUCIHQBLDJBJAR-UHFFFAOYSA-N 1 1 160.286 1.004 10 0 ADAEMO CC[N@@H+](C)CCNCc1ccco1 49938161 167142904 /nfs/dbraw/zinc/14/29/04/167142904.db2.gz RASBUFWRNHQNHX-UHFFFAOYSA-N 1 1 182.267 1.321 10 0 ADAEMO CCN(C)CC[NH2+]Cc1ccco1 49938161 167142907 /nfs/dbraw/zinc/14/29/07/167142907.db2.gz RASBUFWRNHQNHX-UHFFFAOYSA-N 1 1 182.267 1.321 10 0 ADAEMO CC[N@@H+](C)C1(CN)CCSCC1 42334996 167142937 /nfs/dbraw/zinc/14/29/37/167142937.db2.gz HOBVADHGWNICEE-UHFFFAOYSA-N 1 1 188.340 1.163 10 0 ADAEMO CCN(C)C1(C[NH3+])CCSCC1 42334996 167142940 /nfs/dbraw/zinc/14/29/40/167142940.db2.gz HOBVADHGWNICEE-UHFFFAOYSA-N 1 1 188.340 1.163 10 0 ADAEMO CC[N@H+](C)CC1(CN)CCCC1 51214960 167142953 /nfs/dbraw/zinc/14/29/53/167142953.db2.gz VDYBVNOPGOEFAW-UHFFFAOYSA-N 1 1 170.300 1.457 10 0 ADAEMO CC[N@@H+](C)CC1(CN)CCCC1 51214960 167142955 /nfs/dbraw/zinc/14/29/55/167142955.db2.gz VDYBVNOPGOEFAW-UHFFFAOYSA-N 1 1 170.300 1.457 10 0 ADAEMO CC[N@@H+](C)CCNCc1cscn1 49938073 167142979 /nfs/dbraw/zinc/14/29/79/167142979.db2.gz SZOYQVRCMSTCLG-UHFFFAOYSA-N 1 1 199.323 1.184 10 0 ADAEMO CC[N@@H+](C)C1(CN)CCC(C)CC1 37078516 167142997 /nfs/dbraw/zinc/14/29/97/167142997.db2.gz ULETVWUEMPOOAM-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CCN(C)C1(C[NH3+])CCC(C)CC1 37078516 167143000 /nfs/dbraw/zinc/14/30/00/167143000.db2.gz ULETVWUEMPOOAM-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[N@@H+](C)C[C@H]1CCSC1 306409766 167143366 /nfs/dbraw/zinc/14/33/66/167143366.db2.gz ZGZDDVFMKPAPBO-MRVPVSSYSA-N 1 1 159.298 1.691 10 0 ADAEMO CC[N@H+](C)C[C@@](C)(CC)CN 51214956 167143418 /nfs/dbraw/zinc/14/34/18/167143418.db2.gz LEBAVZAKFRKOSZ-VIFPVBQESA-N 1 1 158.289 1.313 10 0 ADAEMO CC[N@@H+](C)C[C@@](C)(CC)CN 51214956 167143420 /nfs/dbraw/zinc/14/34/20/167143420.db2.gz LEBAVZAKFRKOSZ-VIFPVBQESA-N 1 1 158.289 1.313 10 0 ADAEMO CC[N@@H+](C)[C@@](C)(CN)C(C)C 41053594 167143483 /nfs/dbraw/zinc/14/34/83/167143483.db2.gz IEPRNPGWMAOXKG-VIFPVBQESA-N 1 1 158.289 1.312 10 0 ADAEMO CC[N@@H+](C)[C@@]1(CN)CCCC[C@@H]1C 37078494 167143539 /nfs/dbraw/zinc/14/35/39/167143539.db2.gz GOLGQECGCMNAJB-WDEREUQCSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[N@@H+](C)Cc1cncs1 335585526 167143716 /nfs/dbraw/zinc/14/37/16/167143716.db2.gz MJSGIFBSRXNHAE-UHFFFAOYSA-N 1 1 156.254 1.595 10 0 ADAEMO CC[N@@H+](C)Cc1ccn(C)c1 306268569 167143732 /nfs/dbraw/zinc/14/37/32/167143732.db2.gz KFDWLRYCACHLDC-UHFFFAOYSA-N 1 1 152.241 1.477 10 0 ADAEMO CC[N@H+](C)C[C@@](C)(N)c1ccccc1 52883269 167143759 /nfs/dbraw/zinc/14/37/59/167143759.db2.gz AZGUFCCLDQHZMY-GFCCVEGCSA-N 1 1 192.306 1.812 10 0 ADAEMO CC[N@@H+](C)C[C@@](C)(N)c1ccccc1 52883269 167143760 /nfs/dbraw/zinc/14/37/60/167143760.db2.gz AZGUFCCLDQHZMY-GFCCVEGCSA-N 1 1 192.306 1.812 10 0 ADAEMO CC[N@H+](C)C[C@](C)(CC)CN 51214957 167143790 /nfs/dbraw/zinc/14/37/90/167143790.db2.gz LEBAVZAKFRKOSZ-SECBINFHSA-N 1 1 158.289 1.313 10 0 ADAEMO CC[N@@H+](C)C[C@](C)(CC)CN 51214957 167143791 /nfs/dbraw/zinc/14/37/91/167143791.db2.gz LEBAVZAKFRKOSZ-SECBINFHSA-N 1 1 158.289 1.313 10 0 ADAEMO CC[N@@H+](C)Cc1cccnc1N 52719081 167143806 /nfs/dbraw/zinc/14/38/06/167143806.db2.gz HAGOCOGKOAXOHT-UHFFFAOYSA-N 1 1 165.240 1.116 10 0 ADAEMO CC[N@H+](C)[C@@H](CN)c1ccc(C)cc1 20225568 167143836 /nfs/dbraw/zinc/14/38/36/167143836.db2.gz HZWABPGECXAUPW-LBPRGKRZSA-N 1 1 192.306 1.947 10 0 ADAEMO CC[N@@H+](C)[C@@H](CN)c1ccc(C)cc1 20225568 167143840 /nfs/dbraw/zinc/14/38/40/167143840.db2.gz HZWABPGECXAUPW-LBPRGKRZSA-N 1 1 192.306 1.947 10 0 ADAEMO CC[N@@H+](C)Cc1cn(C)nc1C 307725285 167143893 /nfs/dbraw/zinc/14/38/93/167143893.db2.gz AUMPSTJZFRZKLT-UHFFFAOYSA-N 1 1 167.256 1.180 10 0 ADAEMO CC[N@H+](C)C[C@H](N)c1ccccc1C 37078722 167143929 /nfs/dbraw/zinc/14/39/29/167143929.db2.gz MMWPLKXDDOAMOO-LBPRGKRZSA-N 1 1 192.306 1.947 10 0 ADAEMO CC[N@@H+](C)C[C@H](N)c1ccccc1C 37078722 167143934 /nfs/dbraw/zinc/14/39/34/167143934.db2.gz MMWPLKXDDOAMOO-LBPRGKRZSA-N 1 1 192.306 1.947 10 0 ADAEMO CC[N@@H+](C)Cc1ccnc(N)c1 52719114 167143941 /nfs/dbraw/zinc/14/39/41/167143941.db2.gz AUDZYBXXLQUFEA-UHFFFAOYSA-N 1 1 165.240 1.116 10 0 ADAEMO CC[N@@H+](C)Cc1ccnc(NC)c1 52719123 167144089 /nfs/dbraw/zinc/14/40/89/167144089.db2.gz AIKANSMGGHDVTG-UHFFFAOYSA-N 1 1 179.267 1.575 10 0 ADAEMO CC[N@H+](C)C[C@H](N)C(C)(C)C 37078622 167144132 /nfs/dbraw/zinc/14/41/32/167144132.db2.gz NNKSAQMZEYHFNU-QMMMGPOBSA-N 1 1 158.289 1.312 10 0 ADAEMO CC[N@@H+](C)C[C@H](N)C(C)(C)C 37078622 167144134 /nfs/dbraw/zinc/14/41/34/167144134.db2.gz NNKSAQMZEYHFNU-QMMMGPOBSA-N 1 1 158.289 1.312 10 0 ADAEMO CC[N@H+](C)C[C@H](N)c1ccccc1 37078641 167144149 /nfs/dbraw/zinc/14/41/49/167144149.db2.gz POLSMTSMUKZNTC-NSHDSACASA-N 1 1 178.279 1.638 10 0 ADAEMO CC[N@@H+](C)C[C@H](N)c1ccccc1 37078641 167144151 /nfs/dbraw/zinc/14/41/51/167144151.db2.gz POLSMTSMUKZNTC-NSHDSACASA-N 1 1 178.279 1.638 10 0 ADAEMO CC[N@@H+](C)C[C@@H](O)c1cccc(N)c1 5315932 167144215 /nfs/dbraw/zinc/14/42/15/167144215.db2.gz CRSJWJHVCLEYQY-LLVKDONJSA-N 1 1 194.278 1.254 10 0 ADAEMO CC[N@@H+](C)[C@@H](CN)C(C)(C)C 41051544 167144228 /nfs/dbraw/zinc/14/42/28/167144228.db2.gz LFQNQGKKXXJOCJ-QMMMGPOBSA-N 1 1 158.289 1.312 10 0 ADAEMO CCN(C)[C@@H](C[NH3+])C(C)(C)C 41051544 167144231 /nfs/dbraw/zinc/14/42/31/167144231.db2.gz LFQNQGKKXXJOCJ-QMMMGPOBSA-N 1 1 158.289 1.312 10 0 ADAEMO CCN(C)[C@@H]1CCC2=C1C[NH2+]C2 39082204 167144291 /nfs/dbraw/zinc/14/42/91/167144291.db2.gz MEXVHUCQIGNKCA-SNVBAGLBSA-N 1 1 166.268 1.000 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 335890386 167144328 /nfs/dbraw/zinc/14/43/28/167144328.db2.gz HJQLHTNKDDCRNA-VHSXEESVSA-N 1 1 170.300 1.421 10 0 ADAEMO CN[C@@]1(C(F)(F)F)CCC[N@H+](C)C1 134359763 343941168 /nfs/dbraw/zinc/94/11/68/343941168.db2.gz QJBWZZSUVMHPJL-ZETCQYMHSA-N 1 1 196.216 1.233 10 0 ADAEMO CC[N@@H+](C)C[C@@H](O)c1ccc(C)cc1 44127646 167144372 /nfs/dbraw/zinc/14/43/72/167144372.db2.gz KIFVMMKLXQOARP-GFCCVEGCSA-N 1 1 193.290 1.980 10 0 ADAEMO CC[N@H+](C)[C@@H](CN)c1cccc(C)c1 20225512 167144387 /nfs/dbraw/zinc/14/43/87/167144387.db2.gz YBQNTWOQEJICDN-LBPRGKRZSA-N 1 1 192.306 1.947 10 0 ADAEMO CC[N@@H+](C)[C@@H](CN)c1cccc(C)c1 20225512 167144389 /nfs/dbraw/zinc/14/43/89/167144389.db2.gz YBQNTWOQEJICDN-LBPRGKRZSA-N 1 1 192.306 1.947 10 0 ADAEMO CC[N@H+](C)Cc1nc(N)ccc1Cl 61630992 167144423 /nfs/dbraw/zinc/14/44/23/167144423.db2.gz CDSUWSWOBZTWFA-UHFFFAOYSA-N 1 1 199.685 1.769 10 0 ADAEMO CC[N@@H+](C)Cc1nc(N)ccc1Cl 61630992 167144424 /nfs/dbraw/zinc/14/44/24/167144424.db2.gz CDSUWSWOBZTWFA-UHFFFAOYSA-N 1 1 199.685 1.769 10 0 ADAEMO CC[N@@H+](C)[C@@](C)(CN)C1CC1 35659534 167144441 /nfs/dbraw/zinc/14/44/41/167144441.db2.gz CCWFCYRYZRIKMJ-VIFPVBQESA-N 1 1 156.273 1.066 10 0 ADAEMO CCN(C)[C@@](C)(C[NH3+])C1CC1 35659534 167144443 /nfs/dbraw/zinc/14/44/43/167144443.db2.gz CCWFCYRYZRIKMJ-VIFPVBQESA-N 1 1 156.273 1.066 10 0 ADAEMO CC[N@@H+](C)Cc1c(C)cnn1C 306648427 167144450 /nfs/dbraw/zinc/14/44/50/167144450.db2.gz CJEDFGKYFYBLHG-UHFFFAOYSA-N 1 1 167.256 1.180 10 0 ADAEMO CC[N@@H+](C)[C@H]1CC[C@H](O)CC1 306756867 167144480 /nfs/dbraw/zinc/14/44/80/167144480.db2.gz MSTOWGMYEXXUTA-KYZUINATSA-N 1 1 157.257 1.242 10 0 ADAEMO CN[C@@]1(C(F)(F)F)CCC[N@@H+](C)C1 134359763 343941169 /nfs/dbraw/zinc/94/11/69/343941169.db2.gz QJBWZZSUVMHPJL-ZETCQYMHSA-N 1 1 196.216 1.233 10 0 ADAEMO CC[N@H+](C)Cc1ccoc1CN 52446055 167144490 /nfs/dbraw/zinc/14/44/90/167144490.db2.gz WGOWVTCYDLJKDQ-UHFFFAOYSA-N 1 1 168.240 1.190 10 0 ADAEMO CC[N@@H+](C)Cc1ccoc1CN 52446055 167144491 /nfs/dbraw/zinc/14/44/91/167144491.db2.gz WGOWVTCYDLJKDQ-UHFFFAOYSA-N 1 1 168.240 1.190 10 0 ADAEMO CC[N@@H+](C)[C@@](C)(CC)CN 37078511 167144590 /nfs/dbraw/zinc/14/45/90/167144590.db2.gz MJGVIHKBLZPHDF-QMMMGPOBSA-N 1 1 144.262 1.066 10 0 ADAEMO CCN(C)[C@@](C)(CC)C[NH3+] 37078511 167144592 /nfs/dbraw/zinc/14/45/92/167144592.db2.gz MJGVIHKBLZPHDF-QMMMGPOBSA-N 1 1 144.262 1.066 10 0 ADAEMO CC[N@@H+](C)Cc1cn2cccnc2n1 336389115 167144632 /nfs/dbraw/zinc/14/46/32/167144632.db2.gz OLVVWNXZFMYKJN-UHFFFAOYSA-N 1 1 190.250 1.181 10 0 ADAEMO CC[N@@H+](C)C[C@@H](O)c1ccccc1C 44127785 167144641 /nfs/dbraw/zinc/14/46/41/167144641.db2.gz IJLJTCBIMLUHBB-GFCCVEGCSA-N 1 1 193.290 1.980 10 0 ADAEMO CCN(C)Cc1cc(C[NH3+])ccc1F 37078286 167144672 /nfs/dbraw/zinc/14/46/72/167144672.db2.gz KBRJORPYTKGIEX-UHFFFAOYSA-N 1 1 196.269 1.736 10 0 ADAEMO CC[N@@H+](C)C[C@H](O)c1cccc(N)c1 5315930 167144686 /nfs/dbraw/zinc/14/46/86/167144686.db2.gz CRSJWJHVCLEYQY-NSHDSACASA-N 1 1 194.278 1.254 10 0 ADAEMO CCN(C)C[C@@](C)([NH3+])C1CC1 37479199 167144731 /nfs/dbraw/zinc/14/47/31/167144731.db2.gz JDJDKICCUNACCI-SECBINFHSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[N@H+](C)[C@@H](CN)c1cccs1 20225336 167144899 /nfs/dbraw/zinc/14/48/99/167144899.db2.gz DPNTWBFSTNAOQA-QMMMGPOBSA-N 1 1 184.308 1.700 10 0 ADAEMO CC[N@@H+](C)[C@@H](CN)c1cccs1 20225336 167144901 /nfs/dbraw/zinc/14/49/01/167144901.db2.gz DPNTWBFSTNAOQA-QMMMGPOBSA-N 1 1 184.308 1.700 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCCCC[C@@H]1O 44127655 167144960 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52288932 167260373 /nfs/dbraw/zinc/26/03/73/167260373.db2.gz YXXUDUMNLIGWKB-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)C1CCCC1 42409490 167260901 /nfs/dbraw/zinc/26/09/01/167260901.db2.gz CEZLJUNJSGTBPT-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)[C@H](C)C1CC1 42409603 167260948 /nfs/dbraw/zinc/26/09/48/167260948.db2.gz NXQHICPGGKXSLE-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[NH2+]CCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 42409266 167261000 /nfs/dbraw/zinc/26/10/00/167261000.db2.gz VZLZXBRVWBAQQC-TXEJJXNPSA-N 1 1 198.354 1.964 10 0 ADAEMO CC[NH2+]CC(C)(C)CN(C)C1CC1 51215154 167261142 /nfs/dbraw/zinc/26/11/42/167261142.db2.gz UTWHDGICKDEEGA-UHFFFAOYSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)C[C@@H](C)CC 42409530 167261504 /nfs/dbraw/zinc/26/15/04/167261504.db2.gz XKWQNAOLTBXVOO-NSHDSACASA-N 1 1 186.343 1.964 10 0 ADAEMO CC[NH2+]CCC[N@H+]1CCC[C@H]1CC 42409125 167261601 /nfs/dbraw/zinc/26/16/01/167261601.db2.gz JMFMBBICMWFZRD-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CC[NH2+]CCCN(C)C1CC1 42409500 167261901 /nfs/dbraw/zinc/26/19/01/167261901.db2.gz VGJVAMZZXCVIPZ-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)[C@H](C)C(C)C 42409637 167262018 /nfs/dbraw/zinc/26/20/18/167262018.db2.gz IWJVFAQRIWAGJH-LLVKDONJSA-N 1 1 186.343 1.962 10 0 ADAEMO CC[NH2+]CCCNc1cccc(C)n1 38043514 167262325 /nfs/dbraw/zinc/26/23/25/167262325.db2.gz IWFKNYPQCDIVTD-UHFFFAOYSA-N 1 1 193.294 1.802 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)CC(C)C 42409521 167262427 /nfs/dbraw/zinc/26/24/27/167262427.db2.gz XRPQCRBSACAVSM-UHFFFAOYSA-N 1 1 172.316 1.574 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)[C@@H](C)CC 42409506 167262470 /nfs/dbraw/zinc/26/24/70/167262470.db2.gz OGOQAKXTLKPWBR-JTQLQIEISA-N 1 1 172.316 1.716 10 0 ADAEMO CC[NH2+]CCCNCc1cccs1 13734764 167262674 /nfs/dbraw/zinc/26/26/74/167262674.db2.gz RAZXTCMIYHIBAC-UHFFFAOYSA-N 1 1 198.335 1.837 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)[C@@H](C)C(C)C 42409636 167262756 /nfs/dbraw/zinc/26/27/56/167262756.db2.gz IWJVFAQRIWAGJH-NSHDSACASA-N 1 1 186.343 1.962 10 0 ADAEMO CC[NH2+]CC(CC)(CC)CN(C)C 51214409 167262777 /nfs/dbraw/zinc/26/27/77/167262777.db2.gz CIYPQXKSDRGZJV-UHFFFAOYSA-N 1 1 186.343 1.964 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)CC(C)(C)C 45086621 167262859 /nfs/dbraw/zinc/26/28/59/167262859.db2.gz IKQAFRBTGCVCKJ-UHFFFAOYSA-N 1 1 186.343 1.964 10 0 ADAEMO CC[NH2+]CCCNc1cc(C)ccn1 43561764 167262878 /nfs/dbraw/zinc/26/28/78/167262878.db2.gz FGOGVDNRXMUETG-UHFFFAOYSA-N 1 1 193.294 1.802 10 0 ADAEMO CC[NH2+]CC1(CN(C)C)CCCC1 51214391 167262936 /nfs/dbraw/zinc/26/29/36/167262936.db2.gz ARAJBGUCFNRPHS-UHFFFAOYSA-N 1 1 184.327 1.718 10 0 ADAEMO CC[NH2+]CC(C)(C)CN(C)C 19905896 167263008 /nfs/dbraw/zinc/26/30/08/167263008.db2.gz UXLYJNNOJICPKK-UHFFFAOYSA-N 1 1 158.289 1.184 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)[C@@H](C)C1CC1 42409602 167263098 /nfs/dbraw/zinc/26/30/98/167263098.db2.gz NXQHICPGGKXSLE-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO CC[NH2+]CCC[N@@H+](C)[C@H](C)CC 42409505 167264019 /nfs/dbraw/zinc/26/40/19/167264019.db2.gz OGOQAKXTLKPWBR-SNVBAGLBSA-N 1 1 172.316 1.716 10 0 ADAEMO CCNCC[N@H+](CC(C)C)C(C)C 44415189 167266828 /nfs/dbraw/zinc/26/68/28/167266828.db2.gz KWLBKGRKYYLXRN-UHFFFAOYSA-N 1 1 186.343 1.962 10 0 ADAEMO CCNCC[N@@H+](CC(C)C)C(C)C 44415189 167266831 /nfs/dbraw/zinc/26/68/31/167266831.db2.gz KWLBKGRKYYLXRN-UHFFFAOYSA-N 1 1 186.343 1.962 10 0 ADAEMO CC[NH2+]CCc1nnc(C(C)C)[nH]1 51784605 167269377 /nfs/dbraw/zinc/26/93/77/167269377.db2.gz QOADPZMWHSTMRB-UHFFFAOYSA-N 1 1 182.271 1.080 10 0 ADAEMO CC[NH2+]CCc1n[nH]c(C(C)C)n1 51784605 167269379 /nfs/dbraw/zinc/26/93/79/167269379.db2.gz QOADPZMWHSTMRB-UHFFFAOYSA-N 1 1 182.271 1.080 10 0 ADAEMO CC[NH2+]C[C@@H]1CCN(C2CC2)C1 37485319 167271153 /nfs/dbraw/zinc/27/11/53/167271153.db2.gz UHRQYANQQODHMS-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO CC[NH2+]C[C@@](C)(CC)CN(C)C 51214453 167271848 /nfs/dbraw/zinc/27/18/48/167271848.db2.gz GYWBGGZPODJWFX-SNVBAGLBSA-N 1 1 172.316 1.574 10 0 ADAEMO CCNC[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 40409293 167272258 /nfs/dbraw/zinc/27/22/58/167272258.db2.gz DVJWZQJXDLMSDM-VWYCJHECSA-N 1 1 182.311 1.517 10 0 ADAEMO CCNC[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 40409286 167272449 /nfs/dbraw/zinc/27/24/49/167272449.db2.gz DVJWZQJXDLMSDM-DCAQKATOSA-N 1 1 182.311 1.517 10 0 ADAEMO CC[NH2+]Cc1ccc(CN(C)C)o1 45205581 167273363 /nfs/dbraw/zinc/27/33/63/167273363.db2.gz UDHIFZNNDLGIBH-UHFFFAOYSA-N 1 1 182.267 1.451 10 0 ADAEMO CC[NH2+]C[C@](C)(CC)CN(C)C 51214452 167273440 /nfs/dbraw/zinc/27/34/40/167273440.db2.gz GYWBGGZPODJWFX-JTQLQIEISA-N 1 1 172.316 1.574 10 0 ADAEMO CC[NH2+]C[C@H]1CCN(C2CC2)C1 37485320 167275049 /nfs/dbraw/zinc/27/50/49/167275049.db2.gz UHRQYANQQODHMS-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO CC[NH2+]Cc1ccc2nc(C)[nH]c2c1 82588330 167275558 /nfs/dbraw/zinc/27/55/58/167275558.db2.gz SQKHTPHZWAPZQP-UHFFFAOYSA-N 1 1 189.262 1.981 10 0 ADAEMO CC[NH2+]Cc1nc([C@H](C)CC)no1 57340835 167276386 /nfs/dbraw/zinc/27/63/86/167276386.db2.gz SFRGNDKEHXBHJH-SSDOTTSWSA-N 1 1 183.255 1.693 10 0 ADAEMO CC[NH2+]Cc1nc2ccc(F)cc2[nH]1 44623810 167276450 /nfs/dbraw/zinc/27/64/50/167276450.db2.gz ODDRRDNJWSZWMA-UHFFFAOYSA-N 1 1 193.225 1.812 10 0 ADAEMO CC[NH2+]Cc1nnc([C@H](C)CC)o1 50615589 167276493 /nfs/dbraw/zinc/27/64/93/167276493.db2.gz QAQFRGVWHWSVHJ-SSDOTTSWSA-N 1 1 183.255 1.693 10 0 ADAEMO CC[NH2+]Cc1nnc(CC2CC2)o1 50615664 167276589 /nfs/dbraw/zinc/27/65/89/167276589.db2.gz CUGGLDFZMTZUIV-UHFFFAOYSA-N 1 1 181.239 1.132 10 0 ADAEMO CC[NH2+]Cc1cn[nH]c1CC 26545842 167276640 /nfs/dbraw/zinc/27/66/40/167276640.db2.gz ZOHHLHBDPBNJQX-UHFFFAOYSA-N 1 1 153.229 1.082 10 0 ADAEMO CC[NH2+]Cc1nn(C)c(C)c1Cl 334983945 167276795 /nfs/dbraw/zinc/27/67/95/167276795.db2.gz DWGZQGUZLHAHBH-UHFFFAOYSA-N 1 1 187.674 1.491 10 0 ADAEMO CC[NH2+]Cc1nnc([C@@H]2CCCO2)o1 50615678 167277098 /nfs/dbraw/zinc/27/70/98/167277098.db2.gz BVBLAJWUUCMTEP-ZETCQYMHSA-N 1 1 197.238 1.031 10 0 ADAEMO CC[NH2+]Cc1nc(CCC(C)C)no1 44626211 167277199 /nfs/dbraw/zinc/27/71/99/167277199.db2.gz DDOLNICYSJAHAY-UHFFFAOYSA-N 1 1 197.282 1.768 10 0 ADAEMO CC[NH2+]Cc1csc(NC(C)=O)n1 76784986 167277210 /nfs/dbraw/zinc/27/72/10/167277210.db2.gz IYLOITFFXSFNGI-UHFFFAOYSA-N 1 1 199.279 1.211 10 0 ADAEMO CC[NH2+]Cc1nnc([C@@H](C)CC)o1 50615590 167277253 /nfs/dbraw/zinc/27/72/53/167277253.db2.gz QAQFRGVWHWSVHJ-ZETCQYMHSA-N 1 1 183.255 1.693 10 0 ADAEMO CC[NH2+]Cc1nnc([C@@H]2C[C@@H]2C)o1 50615577 167277588 /nfs/dbraw/zinc/27/75/88/167277588.db2.gz VUTUABRAPSQICB-NKWVEPMBSA-N 1 1 181.239 1.303 10 0 ADAEMO CC[NH2+]Cc1ncc(C(F)(F)F)[nH]1 44651835 167277882 /nfs/dbraw/zinc/27/78/82/167277882.db2.gz SENAJHYAKKXJSL-UHFFFAOYSA-N 1 1 193.172 1.538 10 0 ADAEMO CC[NH2+]Cc1nnc([C@H]2C[C@H]2C)o1 50615580 167277955 /nfs/dbraw/zinc/27/79/55/167277955.db2.gz VUTUABRAPSQICB-RQJHMYQMSA-N 1 1 181.239 1.303 10 0 ADAEMO CC[NH2+]Cc1nnc(C2CCC2)o1 50615616 167278047 /nfs/dbraw/zinc/27/80/47/167278047.db2.gz SIMDDESXIHGFOO-UHFFFAOYSA-N 1 1 181.239 1.447 10 0 ADAEMO CC[NH2+]Cc1nnc(CC(C)C)o1 50615617 167278069 /nfs/dbraw/zinc/27/80/69/167278069.db2.gz ATQZJNFRIWFRAR-UHFFFAOYSA-N 1 1 183.255 1.378 10 0 ADAEMO CC[NH2+]Cc1ccc2c(c1)CN(C)C2 58011731 167278084 /nfs/dbraw/zinc/27/80/84/167278084.db2.gz PINXAVOATCOXDB-UHFFFAOYSA-N 1 1 190.290 1.742 10 0 ADAEMO CC[NH2+]Cc1nnc([C@@H]2C[C@H]2C)o1 50615579 167278212 /nfs/dbraw/zinc/27/82/12/167278212.db2.gz VUTUABRAPSQICB-RNFRBKRXSA-N 1 1 181.239 1.303 10 0 ADAEMO CC[NH2+]Cc1nnc(C(C)(C)C)o1 50615637 167278326 /nfs/dbraw/zinc/27/83/26/167278326.db2.gz ZGZCBFXOALYWGF-UHFFFAOYSA-N 1 1 183.255 1.477 10 0 ADAEMO CC[NH2+]Cc1nnc(C(F)F)o1 50615635 167278458 /nfs/dbraw/zinc/27/84/58/167278458.db2.gz RYSCGOJZZKVITJ-UHFFFAOYSA-N 1 1 177.154 1.117 10 0 ADAEMO CC[NH2+]Cc1nnc(C2CC2)o1 50615515 167278642 /nfs/dbraw/zinc/27/86/42/167278642.db2.gz FSYYEEPSKXTLPU-UHFFFAOYSA-N 1 1 167.212 1.057 10 0 ADAEMO CC[NH2+]Cc1nc2cccc(C)c2[nH]1 44624188 167278666 /nfs/dbraw/zinc/27/86/66/167278666.db2.gz XTTGMQCIKUULLL-UHFFFAOYSA-N 1 1 189.262 1.981 10 0 ADAEMO CC[NH2+]Cc1nnc(C2CCCC2)o1 50615671 167278706 /nfs/dbraw/zinc/27/87/06/167278706.db2.gz NKFJVUZABLQHHE-UHFFFAOYSA-N 1 1 195.266 1.837 10 0 ADAEMO CC[NH2+]Cc1nc([C@@H](C)CC)no1 57340837 167278769 /nfs/dbraw/zinc/27/87/69/167278769.db2.gz SFRGNDKEHXBHJH-ZETCQYMHSA-N 1 1 183.255 1.693 10 0 ADAEMO CC[NH2+]Cc1nnc([C@H]2CCCO2)o1 50615679 167278775 /nfs/dbraw/zinc/27/87/75/167278775.db2.gz BVBLAJWUUCMTEP-SSDOTTSWSA-N 1 1 197.238 1.031 10 0 ADAEMO CC[NH2+]Cc1nnc(C(C)C)o1 50615612 167278782 /nfs/dbraw/zinc/27/87/82/167278782.db2.gz IZFCVIRBTCKDPT-UHFFFAOYSA-N 1 1 169.228 1.303 10 0 ADAEMO CC[NH2+]Cc1nnc([C@H]2C[C@@H]2C)o1 50615578 167278999 /nfs/dbraw/zinc/27/89/99/167278999.db2.gz VUTUABRAPSQICB-BQBZGAKWSA-N 1 1 181.239 1.303 10 0 ADAEMO CC[NH2+]Cc1nnc(CC(C)(C)C)o1 50615594 167279004 /nfs/dbraw/zinc/27/90/04/167279004.db2.gz KBRYXENLDRGAGK-UHFFFAOYSA-N 1 1 197.282 1.768 10 0 ADAEMO CC[NH2+]Cc1sccc1CN(C)C 45205665 167279023 /nfs/dbraw/zinc/27/90/23/167279023.db2.gz TVGLAHLVBCIHQM-UHFFFAOYSA-N 1 1 198.335 1.919 10 0 ADAEMO CC[NH2+]Cc1nnc(CCC(C)C)o1 50615627 167279127 /nfs/dbraw/zinc/27/91/27/167279127.db2.gz ZIIBMAHTWGCFSG-UHFFFAOYSA-N 1 1 197.282 1.768 10 0 ADAEMO CC[NH2+][C@@H](C(=O)OCC)[C@H](C)CC 41050219 167279676 /nfs/dbraw/zinc/27/96/76/167279676.db2.gz RHGNHNJURXUPNS-RKDXNWHRSA-N 1 1 187.283 1.574 10 0 ADAEMO CC[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC 41050220 167281073 /nfs/dbraw/zinc/28/10/73/167281073.db2.gz RHGNHNJURXUPNS-DTWKUNHWSA-N 1 1 187.283 1.574 10 0 ADAEMO CC[NH2+][C@@H](C(=O)OCC)C(C)C 41049522 167281133 /nfs/dbraw/zinc/28/11/33/167281133.db2.gz MURQBHXEPVIOAZ-MRVPVSSYSA-N 1 1 173.256 1.184 10 0 ADAEMO CC[NH2+][C@@H](C)CCN(C)C1CC1 43823396 167281537 /nfs/dbraw/zinc/28/15/37/167281537.db2.gz ZRUWMSLINHBOAC-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CC[NH2+][C@@H](C(=O)OC)C(CC)CC 41049794 167282001 /nfs/dbraw/zinc/28/20/01/167282001.db2.gz IOAAOAFUZRGWHA-SECBINFHSA-N 1 1 187.283 1.574 10 0 ADAEMO CCN[C@@H](C)C[N@H+](CC)CC(C)C 43888164 167282547 /nfs/dbraw/zinc/28/25/47/167282547.db2.gz ABOPOYJTOOAVPE-NSHDSACASA-N 1 1 186.343 1.962 10 0 ADAEMO CCN[C@@H](C)C[N@@H+](CC)CC(C)C 43888164 167282548 /nfs/dbraw/zinc/28/25/48/167282548.db2.gz ABOPOYJTOOAVPE-NSHDSACASA-N 1 1 186.343 1.962 10 0 ADAEMO CC[NH2+][C@@H](C)[C@@H](C)N1CCC[C@@H]1C 43903508 167283485 /nfs/dbraw/zinc/28/34/85/167283485.db2.gz HAIDJMSWCIBOGB-GARJFASQSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[NH2+][C@@H](C)c1cn[nH]c1C 40932769 167283556 /nfs/dbraw/zinc/28/35/56/167283556.db2.gz FRXFEDRLVBGCEV-LURJTMIESA-N 1 1 153.229 1.389 10 0 ADAEMO CC[NH2+][C@@H](C)c1nnc(CC(C)C)o1 50618911 167283802 /nfs/dbraw/zinc/28/38/02/167283802.db2.gz ANKNTQZNPSJZLZ-QMMMGPOBSA-N 1 1 197.282 1.939 10 0 ADAEMO CC[NH2+][C@@H](C)c1nnc(CC2CC2)o1 50618999 167283851 /nfs/dbraw/zinc/28/38/51/167283851.db2.gz QGTTWIZGWQWMTM-ZETCQYMHSA-N 1 1 195.266 1.693 10 0 ADAEMO CC[NH2+][C@@H](C)CN1CCCC1(C)C 63066708 167284115 /nfs/dbraw/zinc/28/41/15/167284115.db2.gz ISNCRAGTJXUYOQ-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC[NH2+][C@@H](C)[C@H](C)N1CCC[C@@H]1C 43903516 167284361 /nfs/dbraw/zinc/28/43/61/167284361.db2.gz HAIDJMSWCIBOGB-DCAQKATOSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[NH2+][C@@H](C)[C@H]1CCCN(C)C1 37208488 167284390 /nfs/dbraw/zinc/28/43/90/167284390.db2.gz DEHPLXLJZPSKJW-UWVGGRQHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 37208486 167284761 /nfs/dbraw/zinc/28/47/61/167284761.db2.gz DEHPLXLJZPSKJW-VHSXEESVSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[NH2+][C@@H](C)c1nnc(C2CC2)o1 50618705 167284770 /nfs/dbraw/zinc/28/47/70/167284770.db2.gz GLQSWERXWITZBR-LURJTMIESA-N 1 1 181.239 1.618 10 0 ADAEMO CCN[C@@H](C[NH3+])c1cc(C)ccc1C 50270381 167286409 /nfs/dbraw/zinc/28/64/09/167286409.db2.gz CNVRBQBCEOSDSO-LBPRGKRZSA-N 1 1 192.306 1.913 10 0 ADAEMO CCN[C@@H](C[NH3+])c1cc(C)cc(C)c1 50270383 167286704 /nfs/dbraw/zinc/28/67/04/167286704.db2.gz VWAKIKLPBHIOSO-LBPRGKRZSA-N 1 1 192.306 1.913 10 0 ADAEMO CC[NH2+][C@@H](CN)c1ccc(CC)o1 51726046 167287060 /nfs/dbraw/zinc/28/70/60/167287060.db2.gz AQIBMNQOVXZEOR-VIFPVBQESA-N 1 1 182.267 1.451 10 0 ADAEMO CCN[C@@H](C[NH3+])c1cc(C)sc1C 50270378 167287638 /nfs/dbraw/zinc/28/76/38/167287638.db2.gz PUZZSJXTQOSTAU-JTQLQIEISA-N 1 1 198.335 1.974 10 0 ADAEMO CC[NH2+][C@@H](CN)c1ccc(F)cc1C 50579328 167287692 /nfs/dbraw/zinc/28/76/92/167287692.db2.gz WFJDZYUYSLDGLT-NSHDSACASA-N 1 1 196.269 1.743 10 0 ADAEMO CCN[C@@H](C[NH3+])c1ccc(CC)s1 51719651 167287919 /nfs/dbraw/zinc/28/79/19/167287919.db2.gz LQNISDIDLQLHOR-VIFPVBQESA-N 1 1 198.335 1.920 10 0 ADAEMO CC[NH2+][C@@H]1CCN(CC)C[C@@H]1C 49708948 167289555 /nfs/dbraw/zinc/28/95/55/167289555.db2.gz GAGYPODCWKQJFU-VHSXEESVSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[NH2+][C@@H]1CCN([C@@H]2C[C@@H]2C)C[C@@H]1C 52289018 167289770 /nfs/dbraw/zinc/28/97/70/167289770.db2.gz GQFQKDYRXBQSJV-NNYUYHANSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[NH2+][C@@H]1CCCN(C)CC1 76592032 167289857 /nfs/dbraw/zinc/28/98/57/167289857.db2.gz OAOKQMPKPBMJLI-SECBINFHSA-N 1 1 156.273 1.080 10 0 ADAEMO CC[NH2+][C@@H]1CCN(C2CCC2)C[C@@H]1C 52210768 167289891 /nfs/dbraw/zinc/28/98/91/167289891.db2.gz ISBTWGPVZMGAFU-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[NH2+][C@@H]1CCN2CCCC[C@H]12 36997057 167290096 /nfs/dbraw/zinc/29/00/96/167290096.db2.gz CRPNVBNTTLNVKZ-NXEZZACHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1C[C@H](NOC(C)(C)C)C[N@H+]1C 134487245 343943825 /nfs/dbraw/zinc/94/38/25/343943825.db2.gz AFNSGNKRGSPKGR-BDAKNGLRSA-N 1 1 186.299 1.399 10 0 ADAEMO CC[NH2+][C@@H]1CCN(C2CC2)C[C@@H]1C 49708974 167291344 /nfs/dbraw/zinc/29/13/44/167291344.db2.gz SOCACYRQLZXIDO-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[NH2+][C@@H]1CCN(CC)[C@H](C)C1 49708963 167291418 /nfs/dbraw/zinc/29/14/18/167291418.db2.gz UPDYRBLXXJCEPE-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[NH2+][C@@H]1CCN(C2CC2)[C@H](C)C1 49708999 167291502 /nfs/dbraw/zinc/29/15/02/167291502.db2.gz BBCMVAWZCIIHCJ-NXEZZACHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C 36907441 167291977 /nfs/dbraw/zinc/29/19/77/167291977.db2.gz IKPQQDATSCQCNF-IVZWLZJFSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[NH2+][C@@H]1CCN(CC)C[C@H]1C 242495312 167292069 /nfs/dbraw/zinc/29/20/69/167292069.db2.gz GAGYPODCWKQJFU-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 49694178 167292306 /nfs/dbraw/zinc/29/23/06/167292306.db2.gz GFIXYKWAEVBRHO-RKDXNWHRSA-N 1 1 156.273 1.079 10 0 ADAEMO CC[NH2+][C@H](C(=O)OCC)C(C)C 41049521 167292897 /nfs/dbraw/zinc/29/28/97/167292897.db2.gz MURQBHXEPVIOAZ-QMMMGPOBSA-N 1 1 173.256 1.184 10 0 ADAEMO CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H](C)C1 37446664 167293274 /nfs/dbraw/zinc/29/32/74/167293274.db2.gz AHOSVPOPSRTDRS-KOLCDFICSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+][C@H](C(=O)OCC)[C@@H](C)CC 41050218 167293548 /nfs/dbraw/zinc/29/35/48/167293548.db2.gz RHGNHNJURXUPNS-IUCAKERBSA-N 1 1 187.283 1.574 10 0 ADAEMO CC[NH2+][C@@](C)(C(=O)OC)C(C)C 52883727 167293945 /nfs/dbraw/zinc/29/39/45/167293945.db2.gz DBMKUBFXPZZMDM-SECBINFHSA-N 1 1 173.256 1.184 10 0 ADAEMO CC[NH2+][C@@]1(C(=O)OC)CCCC[C@@H]1C 37446652 167294024 /nfs/dbraw/zinc/29/40/24/167294024.db2.gz LRRIDZDAFUKMRQ-ONGXEEELSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+][C@H](C(=O)OC)C(CC)CC 41049793 167294176 /nfs/dbraw/zinc/29/41/76/167294176.db2.gz IOAAOAFUZRGWHA-VIFPVBQESA-N 1 1 187.283 1.574 10 0 ADAEMO CC[NH2+][C@@](C)(C(=O)OCC)C(C)C 52883729 167294271 /nfs/dbraw/zinc/29/42/71/167294271.db2.gz RDDQZSYBCHBBLI-SNVBAGLBSA-N 1 1 187.283 1.574 10 0 ADAEMO CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C 36907439 167294285 /nfs/dbraw/zinc/29/42/85/167294285.db2.gz IKPQQDATSCQCNF-LPEHRKFASA-N 1 1 170.300 1.325 10 0 ADAEMO CC[NH2+][C@@]1(C(=O)OC)CCCC[C@H]1C 37446654 167294335 /nfs/dbraw/zinc/29/43/35/167294335.db2.gz LRRIDZDAFUKMRQ-KOLCDFICSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+][C@H](C(=O)OCC)[C@H](C)CC 41050217 167294609 /nfs/dbraw/zinc/29/46/09/167294609.db2.gz RHGNHNJURXUPNS-BDAKNGLRSA-N 1 1 187.283 1.574 10 0 ADAEMO CC[NH2+][C@@]1(C(=O)OC)CCC[C@H](C)C1 37446662 167294708 /nfs/dbraw/zinc/29/47/08/167294708.db2.gz AHOSVPOPSRTDRS-ONGXEEELSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+][C@H](C)[C@@H]1CCCN(C)C1 37208487 167296209 /nfs/dbraw/zinc/29/62/09/167296209.db2.gz DEHPLXLJZPSKJW-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO CCN[C@H](C)C[N@H+](CC)CC(C)C 43888167 167296334 /nfs/dbraw/zinc/29/63/34/167296334.db2.gz ABOPOYJTOOAVPE-LLVKDONJSA-N 1 1 186.343 1.962 10 0 ADAEMO CCN[C@H](C)C[N@@H+](CC)CC(C)C 43888167 167296338 /nfs/dbraw/zinc/29/63/38/167296338.db2.gz ABOPOYJTOOAVPE-LLVKDONJSA-N 1 1 186.343 1.962 10 0 ADAEMO CC[NH2+][C@H](C)CN1CCCC1(C)C 63066709 167296434 /nfs/dbraw/zinc/29/64/34/167296434.db2.gz ISNCRAGTJXUYOQ-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[NH2+][C@H](C)CCN(C)C1CC1 43823401 167296810 /nfs/dbraw/zinc/29/68/10/167296810.db2.gz ZRUWMSLINHBOAC-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[NH2+][C@H](C)[C@H](C)N1CCC[C@@H]1C 43903521 167297317 /nfs/dbraw/zinc/29/73/17/167297317.db2.gz HAIDJMSWCIBOGB-AXFHLTTASA-N 1 1 184.327 1.857 10 0 ADAEMO CC[NH2+][C@H](C)[C@H]1CCCN(C)C1 37208489 167297329 /nfs/dbraw/zinc/29/73/29/167297329.db2.gz DEHPLXLJZPSKJW-ZJUUUORDSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[NH2+][C@H](C)[C@@H](C)N1CCC[C@@H]1C 43903512 167297379 /nfs/dbraw/zinc/29/73/79/167297379.db2.gz HAIDJMSWCIBOGB-HBNTYKKESA-N 1 1 184.327 1.857 10 0 ADAEMO CCN[C@H](C[NH3+])c1cc(C)cc(C)c1 50270384 167297776 /nfs/dbraw/zinc/29/77/76/167297776.db2.gz VWAKIKLPBHIOSO-GFCCVEGCSA-N 1 1 192.306 1.913 10 0 ADAEMO CC[NH2+][C@H](C)c1nnc([C@H]2C[C@@H]2C)o1 50618842 167297902 /nfs/dbraw/zinc/29/79/02/167297902.db2.gz RVWMQTSDLADIFO-RNJXMRFFSA-N 1 1 195.266 1.864 10 0 ADAEMO CC[NH2+][C@H](C)c1nnc(CC2CC2)o1 50619000 167299032 /nfs/dbraw/zinc/29/90/32/167299032.db2.gz QGTTWIZGWQWMTM-SSDOTTSWSA-N 1 1 195.266 1.693 10 0 ADAEMO CCN[C@H](C[NH3+])c1ccc(CC)s1 51719648 167299158 /nfs/dbraw/zinc/29/91/58/167299158.db2.gz LQNISDIDLQLHOR-SECBINFHSA-N 1 1 198.335 1.920 10 0 ADAEMO CC[NH2+][C@H](CN)c1ccc(CC)o1 51726044 167299383 /nfs/dbraw/zinc/29/93/83/167299383.db2.gz AQIBMNQOVXZEOR-SECBINFHSA-N 1 1 182.267 1.451 10 0 ADAEMO CCN[C@H](C[NH3+])c1cc(C)sc1C 50270379 167299453 /nfs/dbraw/zinc/29/94/53/167299453.db2.gz PUZZSJXTQOSTAU-SNVBAGLBSA-N 1 1 198.335 1.974 10 0 ADAEMO CC[NH2+][C@H](C)c1cn[nH]c1C 40932770 167299642 /nfs/dbraw/zinc/29/96/42/167299642.db2.gz FRXFEDRLVBGCEV-ZCFIWIBFSA-N 1 1 153.229 1.389 10 0 ADAEMO CCN[C@H](C[NH3+])c1cc(C)ccc1C 50270382 167299856 /nfs/dbraw/zinc/29/98/56/167299856.db2.gz CNVRBQBCEOSDSO-GFCCVEGCSA-N 1 1 192.306 1.913 10 0 ADAEMO CC[NH2+][C@H](CN)c1ccc(F)cc1C 50579330 167300007 /nfs/dbraw/zinc/30/00/07/167300007.db2.gz WFJDZYUYSLDGLT-LLVKDONJSA-N 1 1 196.269 1.743 10 0 ADAEMO CC[NH2+][C@H]1CCN(CC)C[C@H]1C 242495313 167300786 /nfs/dbraw/zinc/30/07/86/167300786.db2.gz GAGYPODCWKQJFU-ZJUUUORDSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[NH2+][C@H]1CCN(CC)[C@H](C)C1 49708965 167300984 /nfs/dbraw/zinc/30/09/84/167300984.db2.gz UPDYRBLXXJCEPE-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[NH2+][C@H]1CCCN(C)CC1 76592035 167301281 /nfs/dbraw/zinc/30/12/81/167301281.db2.gz OAOKQMPKPBMJLI-VIFPVBQESA-N 1 1 156.273 1.080 10 0 ADAEMO CC[NH2+][C@H]1CCN(C2CC2)[C@H](C)C1 49709001 167301364 /nfs/dbraw/zinc/30/13/64/167301364.db2.gz BBCMVAWZCIIHCJ-ZJUUUORDSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[NH2+][C@H]1CCN2CCCC[C@H]12 36997058 167301666 /nfs/dbraw/zinc/30/16/66/167301666.db2.gz CRPNVBNTTLNVKZ-VHSXEESVSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[NH2+][C@H]1CCN(C2CCC2)C[C@@H]1C 52210771 167301726 /nfs/dbraw/zinc/30/17/26/167301726.db2.gz ISBTWGPVZMGAFU-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[NH2+][C@H]1CCN(C)[C@H](C)C1 49694180 167301787 /nfs/dbraw/zinc/30/17/87/167301787.db2.gz GFIXYKWAEVBRHO-BDAKNGLRSA-N 1 1 156.273 1.079 10 0 ADAEMO CC[NH2+][C@H]1CCN(CC)C[C@@H]1C 49708949 167302190 /nfs/dbraw/zinc/30/21/90/167302190.db2.gz GAGYPODCWKQJFU-UWVGGRQHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[NH2+][C@H]1CCN([C@@H]2C[C@@H]2C)C[C@@H]1C 52289020 167302438 /nfs/dbraw/zinc/30/24/38/167302438.db2.gz GQFQKDYRXBQSJV-FIQHERPVSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[NH2+][C@H]1CCN(C2CC2)C[C@@H]1C 49708976 167302748 /nfs/dbraw/zinc/30/27/48/167302748.db2.gz SOCACYRQLZXIDO-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[NH2+][C@](C)(C(=O)OC)C(C)C 52883726 167303513 /nfs/dbraw/zinc/30/35/13/167303513.db2.gz DBMKUBFXPZZMDM-VIFPVBQESA-N 1 1 173.256 1.184 10 0 ADAEMO CC[NH2+][C@]1(C(=O)OC)CCCC[C@H]1C 37446653 167303519 /nfs/dbraw/zinc/30/35/19/167303519.db2.gz LRRIDZDAFUKMRQ-MWLCHTKSSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+][C@](C)(C(=O)OCC)C(C)C 52883728 167303645 /nfs/dbraw/zinc/30/36/45/167303645.db2.gz RDDQZSYBCHBBLI-JTQLQIEISA-N 1 1 187.283 1.574 10 0 ADAEMO CC[NH2+][C@]1(C(=O)OC)CCC[C@@H](C)C1 37446663 167303692 /nfs/dbraw/zinc/30/36/92/167303692.db2.gz AHOSVPOPSRTDRS-MWLCHTKSSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+][C@]1(C(=O)OC)CCCC[C@@H]1C 37446651 167304431 /nfs/dbraw/zinc/30/44/31/167304431.db2.gz LRRIDZDAFUKMRQ-GXSJLCMTSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+][C@]1(C(=O)OC)CCC[C@H](C)C1 37446661 167304970 /nfs/dbraw/zinc/30/49/70/167304970.db2.gz AHOSVPOPSRTDRS-GXSJLCMTSA-N 1 1 199.294 1.718 10 0 ADAEMO CC[NH2+]c1c(O)cc(O)cc1O 71452058 167307441 /nfs/dbraw/zinc/30/74/41/167307441.db2.gz KYHRBYKVSFVDJF-UHFFFAOYSA-N 1 1 169.180 1.235 10 0 ADAEMO CCNc1c(N(C)C)cc[nH+]c1OC 36941900 167307895 /nfs/dbraw/zinc/30/78/95/167307895.db2.gz ZABLMUWYVUCLHE-UHFFFAOYSA-N 1 1 195.266 1.588 10 0 ADAEMO CCNc1ccc(NC[C@@H](C)O)[nH+]c1 41626377 167308760 /nfs/dbraw/zinc/30/87/60/167308760.db2.gz OMGRNBMPSABTCO-MRVPVSSYSA-N 1 1 195.266 1.306 10 0 ADAEMO CCNc1ccc(NCC)[nH+]c1 41626368 167308778 /nfs/dbraw/zinc/30/87/78/167308778.db2.gz YJUBXWAADOCTIM-UHFFFAOYSA-N 1 1 165.240 1.945 10 0 ADAEMO CCNc1ccc[nH+]c1N(C)C 37029057 167309198 /nfs/dbraw/zinc/30/91/98/167309198.db2.gz VHVUBOQYBIFEEK-UHFFFAOYSA-N 1 1 165.240 1.579 10 0 ADAEMO CCNc1ccc(N(C)C)[nH+]c1 36989131 167309380 /nfs/dbraw/zinc/30/93/80/167309380.db2.gz WXQWXKWHPJGNIU-UHFFFAOYSA-N 1 1 165.240 1.579 10 0 ADAEMO CCNc1ccc2[nH]c[nH+]c2c1 82405032 167309450 /nfs/dbraw/zinc/30/94/50/167309450.db2.gz IUNSCUJDXYSUPK-UHFFFAOYSA-N 1 1 161.208 1.995 10 0 ADAEMO CCNc1ccc(N)[nH+]c1 19953007 167310851 /nfs/dbraw/zinc/31/08/51/167310851.db2.gz NSNGLRIDOAXXQV-UHFFFAOYSA-N 1 1 137.186 1.096 10 0 ADAEMO CC[N@H+]1CCC[C@H]2COCC[C@@H]21 336334643 167209563 /nfs/dbraw/zinc/20/95/63/167209563.db2.gz QECBTPCWOMCGCU-UWVGGRQHSA-N 1 1 169.268 1.507 10 0 ADAEMO CCNc1cc[nH+]c(N2CCCC2)n1 50863828 167311736 /nfs/dbraw/zinc/31/17/36/167311736.db2.gz IJHFUKGYSCRBPR-UHFFFAOYSA-N 1 1 192.266 1.509 10 0 ADAEMO CCNc1nc2c(s1)C[N@@H+](C)CC2 61714376 167312361 /nfs/dbraw/zinc/31/23/61/167312361.db2.gz FIPJMFPDXFPPFY-UHFFFAOYSA-N 1 1 197.307 1.563 10 0 ADAEMO CCNc1cc[nH+]c(N(CC)CC)n1 50863830 167313632 /nfs/dbraw/zinc/31/36/32/167313632.db2.gz DWIYNUUVXLECME-UHFFFAOYSA-N 1 1 194.282 1.755 10 0 ADAEMO CCNc1[nH+]cnc(NC(C)C)c1N 40707198 167314188 /nfs/dbraw/zinc/31/41/88/167314188.db2.gz 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183.295 1.655 10 0 ADAEMO CC[C@H](O)[C@@H](C)[N@@H+](C)C(C)C 44119271 167671143 /nfs/dbraw/zinc/67/11/43/167671143.db2.gz UGGCSSXWTMFRDO-BDAKNGLRSA-N 1 1 159.273 1.486 10 0 ADAEMO CC[C@H]1CCCC[N@H+]1[C@@H](C)CN 39134163 167674673 /nfs/dbraw/zinc/67/46/73/167674673.db2.gz BSXBSGAYKXVQJB-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@H]1CCCC[N@H+]1C(C)(C)C(N)=O 32023834 167676643 /nfs/dbraw/zinc/67/66/43/167676643.db2.gz ASVSJRPYSCOJLY-VIFPVBQESA-N 1 1 198.310 1.515 10 0 ADAEMO CC[C@H]1CCCC[N@H+]1C(C)(C)CN 37083065 167676748 /nfs/dbraw/zinc/67/67/48/167676748.db2.gz MTEREEFOGHIJCS-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO CC[C@H]1CCC[N@@H+](CC(N)=S)C1 36169665 167677318 /nfs/dbraw/zinc/67/73/18/167677318.db2.gz ICCCJFPIMLLEII-QMMMGPOBSA-N 1 1 186.324 1.395 10 0 ADAEMO CC[C@H]1CCCC[C@@H]1OC(=O)[C@@H](C)[NH3+] 42462850 167678334 /nfs/dbraw/zinc/67/83/34/167678334.db2.gz MDRDIIWPZJIXLS-UTLUCORTSA-N 1 1 199.294 1.846 10 0 ADAEMO CC[C@H]1CC[N@H+]1Cc1cnn(C)c1 306887148 167687286 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186.324 1.537 10 0 ADAEMO C[N@@H+](CC1(CO)CCCC1)C1CC1 51292820 167868090 /nfs/dbraw/zinc/86/80/90/167868090.db2.gz HDKYIKUECFPXEC-UHFFFAOYSA-N 1 1 183.295 1.633 10 0 ADAEMO C[N@@H+](CCC(N)=S)C1CCCC1 19834882 167872632 /nfs/dbraw/zinc/87/26/32/167872632.db2.gz RECBOQYCMOUVPW-UHFFFAOYSA-N 1 1 186.324 1.537 10 0 ADAEMO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCC[C@@H]1O 44383675 167883075 /nfs/dbraw/zinc/88/30/75/167883075.db2.gz SDSITBJSLUYBQO-AXFHLTTASA-N 1 1 199.294 1.011 10 0 ADAEMO C[N@H+]1CCC[C@@H]2CCC[C@@H]21 38642577 167906183 /nfs/dbraw/zinc/90/61/83/167906183.db2.gz AYHBAYUVVKWXLW-IUCAKERBSA-N 1 1 139.242 1.881 10 0 ADAEMO C[N@H+]1CCC[C@@]2(O)CCCC[C@H]12 62718366 167910304 /nfs/dbraw/zinc/91/03/04/167910304.db2.gz GYQNKQBDFFPRQL-UWVGGRQHSA-N 1 1 169.268 1.386 10 0 ADAEMO C[N@H+]1CCC[C@H]2CCC(=O)C[C@@H]21 82402368 167913582 /nfs/dbraw/zinc/91/35/82/167913582.db2.gz WKDDLOVQNGHEMQ-WPRPVWTQSA-N 1 1 167.252 1.450 10 0 ADAEMO C[N@H+]1CC[C@@H](n2cccc2)C1 42548860 167928493 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NGUNXHXZLZDZFO-UHFFFAOYSA-N 1 1 175.235 1.325 10 0 ADAEMO CNC[C@@H](C(C)C)[N@@H+]1CCC[C@@H]1C 52375509 168002953 /nfs/dbraw/zinc/00/29/53/168002953.db2.gz YWLVYFLAEVCZRR-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CNC[C@@H](C(C)C)[N@H+]1CCC[C@@H]1C 52375509 168002955 /nfs/dbraw/zinc/00/29/55/168002955.db2.gz YWLVYFLAEVCZRR-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CNC[C@@H](C(C)C)[NH+]1CCCCC1 52421132 168003252 /nfs/dbraw/zinc/00/32/52/168003252.db2.gz PMSNZVUYGJEMNS-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CNC[C@@H](C(C)C)[NH+]1CCC(C)CC1 52376808 168003349 /nfs/dbraw/zinc/00/33/49/168003349.db2.gz RWVGUWSWRLKFMZ-LBPRGKRZSA-N 1 1 198.354 1.962 10 0 ADAEMO CNC[C@@H](C(C)C)[N@@H+]1CCC[C@@H](C)C1 52381059 168003387 /nfs/dbraw/zinc/00/33/87/168003387.db2.gz VLMYWFWCXZKUAK-NEPJUHHUSA-N 1 1 198.354 1.962 10 0 ADAEMO CNC[C@@H](C(C)C)[N@H+]1CCC[C@@H](C)C1 52381059 168003389 /nfs/dbraw/zinc/00/33/89/168003389.db2.gz VLMYWFWCXZKUAK-NEPJUHHUSA-N 1 1 198.354 1.962 10 0 ADAEMO 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XRVRZELOLFXCSX-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO C[NH2+]CCc1ncc2ccccn12 20263494 168004214 /nfs/dbraw/zinc/00/42/14/168004214.db2.gz SSAQGYZDELUBNM-UHFFFAOYSA-N 1 1 175.235 1.096 10 0 ADAEMO C[NH2+]CCc1nc2ccc(O)cc2[nH]1 74326154 168004276 /nfs/dbraw/zinc/00/42/76/168004276.db2.gz GSFNMHIVQBSKPB-UHFFFAOYSA-N 1 1 191.234 1.030 10 0 ADAEMO C[NH2+]C[C@@H](C)c1ccc2nc[nH]c2c1 82588329 168004785 /nfs/dbraw/zinc/00/47/85/168004785.db2.gz AWAWYJXPLGMYJV-MRVPVSSYSA-N 1 1 189.262 1.886 10 0 ADAEMO CNC[C@@H]([NH2+]C)c1ccccc1 27656975 168005479 /nfs/dbraw/zinc/00/54/79/168005479.db2.gz GFVIWRPEUHGPLZ-SNVBAGLBSA-N 1 1 164.252 1.167 10 0 ADAEMO C[NH2+]C[C@@H](CC(C)C)N1CCCC1 83965221 168006118 /nfs/dbraw/zinc/00/61/18/168006118.db2.gz JALAJNLLJGNFAJ-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO C[NH2+]C[C@@H]1CCCN(CC=C(C)C)C1 40600068 168006401 /nfs/dbraw/zinc/00/64/01/168006401.db2.gz AYDWDOPDILGMAE-LBPRGKRZSA-N 1 1 196.338 1.884 10 0 ADAEMO CNC[C@@H]1CCC[N@@H+]1CC(C)(C)C 39781773 168006841 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ADAEMO C[NH2+]C[C@H](C)C[N@H+]1CCC[C@@H](C)C1 52381160 168009102 /nfs/dbraw/zinc/00/91/02/168009102.db2.gz XVIBMDSPRZQAAH-MNOVXSKESA-N 1 1 184.327 1.574 10 0 ADAEMO C[NH2+]C[C@H](C)C[N@H+]1CCC[C@@H]1C 52375625 168010066 /nfs/dbraw/zinc/01/00/66/168010066.db2.gz GUQFEOTVLFTJOV-UWVGGRQHSA-N 1 1 170.300 1.326 10 0 ADAEMO C[NH2+]C[C@H](CC(C)C)N1CCCC1 83965219 168010398 /nfs/dbraw/zinc/01/03/98/168010398.db2.gz JALAJNLLJGNFAJ-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO C[NH2+]C[C@H](C)N1CCC[C@@H]1C 52375578 168010599 /nfs/dbraw/zinc/01/05/99/168010599.db2.gz NTKYELJPYCSLOD-IUCAKERBSA-N 1 1 156.273 1.079 10 0 ADAEMO CNC[C@H]([NH2+]C)c1ccccc1 27656976 168011147 /nfs/dbraw/zinc/01/11/47/168011147.db2.gz GFVIWRPEUHGPLZ-JTQLQIEISA-N 1 1 164.252 1.167 10 0 ADAEMO C[NH2+]C[C@H](C)N1CCC[C@H]1C 52375577 168011443 /nfs/dbraw/zinc/01/14/43/168011443.db2.gz NTKYELJPYCSLOD-BDAKNGLRSA-N 1 1 156.273 1.079 10 0 ADAEMO C[NH2+]C[C@H](C)c1ccc2nc[nH]c2c1 82588328 168011683 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C[NH2+]Cc1cc2c(s1)CN(C)CC2 45206009 168015881 /nfs/dbraw/zinc/01/58/81/168015881.db2.gz JUJLXEYEABIOIW-UHFFFAOYSA-N 1 1 196.319 1.455 10 0 ADAEMO C[NH2+]Cc1cc(CN(C)C)c(C)o1 52422862 168016982 /nfs/dbraw/zinc/01/69/82/168016982.db2.gz IFVDKBOUKLYHCE-UHFFFAOYSA-N 1 1 182.267 1.369 10 0 ADAEMO C[NH2+]Cc1cc(CN(C)C)oc1C 52422679 168017163 /nfs/dbraw/zinc/01/71/63/168017163.db2.gz ZZVFRCDVZHDBNO-UHFFFAOYSA-N 1 1 182.267 1.369 10 0 ADAEMO C[NH2+]Cc1ccc(CN(C)C)o1 16942627 168018658 /nfs/dbraw/zinc/01/86/58/168018658.db2.gz YXAOESNXYQSYEW-UHFFFAOYSA-N 1 1 168.240 1.061 10 0 ADAEMO C[NH2+]Cc1ccc2nc(C)[nH]c2c1 82587790 168018676 /nfs/dbraw/zinc/01/86/76/168018676.db2.gz JLIXHIPMYCHFGO-UHFFFAOYSA-N 1 1 175.235 1.591 10 0 ADAEMO C[NH2+]Cc1ccoc1CN(C)C1CC1 52445266 168019475 /nfs/dbraw/zinc/01/94/75/168019475.db2.gz CWWJADXRUYQRFE-UHFFFAOYSA-N 1 1 194.278 1.593 10 0 ADAEMO C[NH2+]Cc1cccc2n[nH]c(C)c12 82868608 168020260 /nfs/dbraw/zinc/02/02/60/168020260.db2.gz KWZCGHYOPMJHCU-UHFFFAOYSA-N 1 1 175.235 1.591 10 0 ADAEMO C[NH2+]Cc1ccoc1CN(C)C 52422669 168021265 /nfs/dbraw/zinc/02/12/65/168021265.db2.gz CIVIIWSWAZGNLU-UHFFFAOYSA-N 1 1 168.240 1.061 10 0 ADAEMO C[NH2+]Cc1nc(CCC(C)C)no1 43373958 168022458 /nfs/dbraw/zinc/02/24/58/168022458.db2.gz SWDKNWCGANDXQX-UHFFFAOYSA-N 1 1 183.255 1.378 10 0 ADAEMO C[NH2+]Cc1nc(C)nc(C(C)C)n1 82529643 168022927 /nfs/dbraw/zinc/02/29/27/168022927.db2.gz PTNFXFJRTARASY-UHFFFAOYSA-N 1 1 180.255 1.023 10 0 ADAEMO C[NH2+]Cc1ncc(CC(C)C)o1 77262828 168023030 /nfs/dbraw/zinc/02/30/30/168023030.db2.gz ZGNRZTOEDYAPQY-UHFFFAOYSA-N 1 1 168.240 1.593 10 0 ADAEMO C[NH2+]Cc1coc(CN(C)C)c1 52422767 168024097 /nfs/dbraw/zinc/02/40/97/168024097.db2.gz DTHHVHRUBDDSJX-UHFFFAOYSA-N 1 1 168.240 1.061 10 0 ADAEMO C[NH2+]Cc1nnc(C(C)(C)C)o1 26442854 168024472 /nfs/dbraw/zinc/02/44/72/168024472.db2.gz BLXMNNGHBCKDFX-UHFFFAOYSA-N 1 1 169.228 1.087 10 0 ADAEMO C[NH2+]Cc1nnc(C2CCCC2)o1 50615473 168024724 /nfs/dbraw/zinc/02/47/24/168024724.db2.gz SUCXTEBWQBGZFK-UHFFFAOYSA-N 1 1 181.239 1.447 10 0 ADAEMO C[NH2+]Cc1occc1CN(C)C 52422716 168025516 /nfs/dbraw/zinc/02/55/16/168025516.db2.gz KMQOBFJQZDIUFZ-UHFFFAOYSA-N 1 1 168.240 1.061 10 0 ADAEMO C[NH2+]Cc1nnc(CC2CCCC2)o1 50615393 168025611 /nfs/dbraw/zinc/02/56/11/168025611.db2.gz FIBJTINJKUDPKV-UHFFFAOYSA-N 1 1 195.266 1.522 10 0 ADAEMO C[NH2+]Cc1oc(CN(C)C)cc1C 52422894 168025616 /nfs/dbraw/zinc/02/56/16/168025616.db2.gz OHVVYLDBOQLTEE-UHFFFAOYSA-N 1 1 182.267 1.369 10 0 ADAEMO C[NH2+]Cc1nnc([C@@H]2CCCCO2)o1 50973785 168025857 /nfs/dbraw/zinc/02/58/57/168025857.db2.gz QHPWFZYJZREJTL-ZETCQYMHSA-N 1 1 197.238 1.031 10 0 ADAEMO C[NH2+]Cc1nnc(CCC(C)C)o1 50615430 168026082 /nfs/dbraw/zinc/02/60/82/168026082.db2.gz NZWHWPPUHIAWPW-UHFFFAOYSA-N 1 1 183.255 1.378 10 0 ADAEMO CC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C)C1 135085631 343954871 /nfs/dbraw/zinc/95/48/71/343954871.db2.gz KOIOJPRULBIOCV-UWVGGRQHSA-N 1 1 183.295 1.943 10 0 ADAEMO C[NH2+]Cc1nnc(CC(C)(C)C)o1 50615396 168026625 /nfs/dbraw/zinc/02/66/25/168026625.db2.gz KXLRXXBGXRICJF-UHFFFAOYSA-N 1 1 183.255 1.378 10 0 ADAEMO C[NH2+]Cc1sccc1CN(C)C 45205664 168026860 /nfs/dbraw/zinc/02/68/60/168026860.db2.gz UMWAPINIGISNCT-UHFFFAOYSA-N 1 1 184.308 1.529 10 0 ADAEMO C[NH2+]Cc1nnc([C@H]2CCCCO2)o1 50973786 168027024 /nfs/dbraw/zinc/02/70/24/168027024.db2.gz QHPWFZYJZREJTL-SSDOTTSWSA-N 1 1 197.238 1.031 10 0 ADAEMO C[NH2+]Cc1noc(-c2ccco2)n1 51848603 168027058 /nfs/dbraw/zinc/02/70/58/168027058.db2.gz VUQUOIBSRTWNKT-UHFFFAOYSA-N 1 1 179.179 1.049 10 0 ADAEMO C[NH2+]Cc1nnc(C2CCC2)o1 50615419 168027118 /nfs/dbraw/zinc/02/71/18/168027118.db2.gz QLQKMXCBLHMMIZ-UHFFFAOYSA-N 1 1 167.212 1.057 10 0 ADAEMO C[NH2+]Cc1noc(-c2ccoc2C)n1 51848659 168027287 /nfs/dbraw/zinc/02/72/87/168027287.db2.gz IUFNVSHMSLLVRK-UHFFFAOYSA-N 1 1 193.206 1.357 10 0 ADAEMO C[NH2+]Cc1nnc(C2CCCCC2)o1 50615296 168027421 /nfs/dbraw/zinc/02/74/21/168027421.db2.gz JKZQVVPMRKJDAG-UHFFFAOYSA-N 1 1 195.266 1.837 10 0 ADAEMO CNc1[nH+]ccc(C)c1C(N)=S 135095971 343954904 /nfs/dbraw/zinc/95/49/04/343954904.db2.gz DHDMSIKYDVRFRP-UHFFFAOYSA-N 1 1 181.264 1.066 10 0 ADAEMO C[NH2+][C@@H](C(N)=O)c1ccccc1Cl 37869956 168029785 /nfs/dbraw/zinc/02/97/85/168029785.db2.gz JYJJHFQKCGBIOG-MRVPVSSYSA-N 1 1 198.653 1.086 10 0 ADAEMO C[NH2+][C@@H](C(=O)OC)[C@H]1CC=CCC1 37458506 168029799 /nfs/dbraw/zinc/02/97/99/168029799.db2.gz PTSOKNKCXYDGRJ-DTWKUNHWSA-N 1 1 183.251 1.104 10 0 ADAEMO C[NH2+][C@@H](C(=O)OC)C1CCCCC1 37458386 168030349 /nfs/dbraw/zinc/03/03/49/168030349.db2.gz DCFBJPIZEHSJKI-SECBINFHSA-N 1 1 185.267 1.328 10 0 ADAEMO C[NH2+][C@@H](C(=O)OC)[C@@H]1CC=CCC1 37458508 168031259 /nfs/dbraw/zinc/03/12/59/168031259.db2.gz PTSOKNKCXYDGRJ-RKDXNWHRSA-N 1 1 183.251 1.104 10 0 ADAEMO CN[C@@H](C)[C@@H]([NH2+]C)c1ccccc1 19365248 168031827 /nfs/dbraw/zinc/03/18/27/168031827.db2.gz WLFWGHGVSWNVJT-GXSJLCMTSA-N 1 1 178.279 1.555 10 0 ADAEMO CN[C@@H](C)[C@@H](C)[N@H+](C)C1CCCC1 43883847 168032138 /nfs/dbraw/zinc/03/21/38/168032138.db2.gz MZYPMJVOMDQQDL-VHSXEESVSA-N 1 1 184.327 1.857 10 0 ADAEMO CN[C@@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 43883847 168032139 /nfs/dbraw/zinc/03/21/39/168032139.db2.gz MZYPMJVOMDQQDL-VHSXEESVSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@@H]1OCC[C@H]1[N@@H+](C)[C@@H]1CCCC1=O 134733422 343949250 /nfs/dbraw/zinc/94/92/50/343949250.db2.gz RQHMDCDHWFEPLZ-IVZWLZJFSA-N 1 1 197.278 1.217 10 0 ADAEMO CN[C@@H](C)[C@@H](C)[NH+]1CCCCCC1 43812143 168032620 /nfs/dbraw/zinc/03/26/20/168032620.db2.gz DQTBDHDVVOIRBE-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CN[C@@H](C)C[NH+]1CCCCCCC1 43819052 168032631 /nfs/dbraw/zinc/03/26/31/168032631.db2.gz PQOLDJBRWKHZPA-NSHDSACASA-N 1 1 184.327 1.860 10 0 ADAEMO CN[C@@H](C)C[N@H+](C)C1CCCCC1 44471658 168032986 /nfs/dbraw/zinc/03/29/86/168032986.db2.gz LFEQYGARUXVTLA-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CN[C@@H](C)C[N@@H+](C)C1CCCCC1 44471658 168032988 /nfs/dbraw/zinc/03/29/88/168032988.db2.gz LFEQYGARUXVTLA-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO C[NH2+][C@@H](C)CCN(C)C1CC1 43822903 168033074 /nfs/dbraw/zinc/03/30/74/168033074.db2.gz ARRJRUFRYAFNOA-QMMMGPOBSA-N 1 1 156.273 1.079 10 0 ADAEMO CN[C@@H](C)C[NH+]1CCCCCC1 43812055 168033225 /nfs/dbraw/zinc/03/32/25/168033225.db2.gz BJPSRJDBVZHXGJ-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO C[NH2+][C@@H](C)Cc1ncc2ccccn12 20263489 168033526 /nfs/dbraw/zinc/03/35/26/168033526.db2.gz UNXJBRFYZTWQBP-VIFPVBQESA-N 1 1 189.262 1.485 10 0 ADAEMO C[NH2+][C@@H](C)c1ccc2nc[nH]c2c1 82587792 168033795 /nfs/dbraw/zinc/03/37/95/168033795.db2.gz ABUALJYHPJMGDN-ZETCQYMHSA-N 1 1 175.235 1.843 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(CC2CC2)o1 50618587 168033989 /nfs/dbraw/zinc/03/39/89/168033989.db2.gz FEYXDHVTNCMXJU-LURJTMIESA-N 1 1 181.239 1.303 10 0 ADAEMO C[NH2+][C@@H](C)c1nc(CSC)no1 54494078 168034027 /nfs/dbraw/zinc/03/40/27/168034027.db2.gz XGQMZBQMVJXLPE-YFKPBYRVSA-N 1 1 187.268 1.213 10 0 ADAEMO C[NH2+][C@@H](C)c1csc(NC(C)=O)n1 76785002 168034036 /nfs/dbraw/zinc/03/40/36/168034036.db2.gz HABJKOFFCYJPMK-YFKPBYRVSA-N 1 1 199.279 1.382 10 0 ADAEMO CN[C@@H](C)[C@H]([NH2+]C)c1ccccc1 19365250 168034118 /nfs/dbraw/zinc/03/41/18/168034118.db2.gz WLFWGHGVSWNVJT-ONGXEEELSA-N 1 1 178.279 1.555 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc([C@H]2CCCO2)o1 50618627 168034147 /nfs/dbraw/zinc/03/41/47/168034147.db2.gz SZNKTKBMZDVMSU-NKWVEPMBSA-N 1 1 197.238 1.202 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(C2CC2)o1 50618288 168034462 /nfs/dbraw/zinc/03/44/62/168034462.db2.gz QZPKKVVFBOLOPD-YFKPBYRVSA-N 1 1 167.212 1.227 10 0 ADAEMO CN[C@@H](C)[C@H](C)[NH+]1CCCCCC1 43812145 168035117 /nfs/dbraw/zinc/03/51/17/168035117.db2.gz DQTBDHDVVOIRBE-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CN[C@@H](C)[C@H](C)[N@H+](C)C1CCCC1 43883853 168035276 /nfs/dbraw/zinc/03/52/76/168035276.db2.gz MZYPMJVOMDQQDL-UWVGGRQHSA-N 1 1 184.327 1.857 10 0 ADAEMO CN[C@@H](C)[C@H](C)[N@@H+](C)C1CCCC1 43883853 168035280 /nfs/dbraw/zinc/03/52/80/168035280.db2.gz MZYPMJVOMDQQDL-UWVGGRQHSA-N 1 1 184.327 1.857 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(C(C)(C)C)o1 50618537 168035414 /nfs/dbraw/zinc/03/54/14/168035414.db2.gz GZIGXGMTTRSIGU-LURJTMIESA-N 1 1 183.255 1.648 10 0 ADAEMO C[NH2+][C@@H](C)c1nc2ccc(F)cc2[nH]1 54052948 168035426 /nfs/dbraw/zinc/03/54/26/168035426.db2.gz FFALIYIXDYEZTP-LURJTMIESA-N 1 1 193.225 1.982 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(C(C)C)o1 50618488 168035474 /nfs/dbraw/zinc/03/54/74/168035474.db2.gz BNNIAUYFAVPVJF-LURJTMIESA-N 1 1 169.228 1.473 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc([C@@H]2CCCO2)o1 50618625 168035539 /nfs/dbraw/zinc/03/55/39/168035539.db2.gz SZNKTKBMZDVMSU-BQBZGAKWSA-N 1 1 197.238 1.202 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(C2CCC2)o1 50618495 168035563 /nfs/dbraw/zinc/03/55/63/168035563.db2.gz FTMRIGIRNHPHAI-LURJTMIESA-N 1 1 181.239 1.618 10 0 ADAEMO C[NH2+][C@@H](CN)c1ccc(F)cc1C 50579324 168035961 /nfs/dbraw/zinc/03/59/61/168035961.db2.gz HGCXFCYPOLQQMY-JTQLQIEISA-N 1 1 182.242 1.353 10 0 ADAEMO C[NH2+][C@@H](CN)c1ccc(OC)c(C)c1 50596933 168036003 /nfs/dbraw/zinc/03/60/03/168036003.db2.gz VKFWVIUOHDJEIH-JTQLQIEISA-N 1 1 194.278 1.223 10 0 ADAEMO CN[C@@H](C[NH3+])c1cccc(C)c1C 50270028 168036229 /nfs/dbraw/zinc/03/62/29/168036229.db2.gz XJSKJOOPMYGOCP-NSHDSACASA-N 1 1 178.279 1.523 10 0 ADAEMO CN[C@@H](C[NH3+])c1ccc(C)c(C)c1 50269992 168036271 /nfs/dbraw/zinc/03/62/71/168036271.db2.gz PWSLXWDENSKVAU-NSHDSACASA-N 1 1 178.279 1.523 10 0 ADAEMO CN[C@@H](C[NH3+])c1ccc(C)s1 50269965 168036290 /nfs/dbraw/zinc/03/62/90/168036290.db2.gz GMQQSRHCDLIXDD-ZETCQYMHSA-N 1 1 170.281 1.276 10 0 ADAEMO CN[C@@H](C[NH3+])c1cc(C)cc(C)c1 50270050 168036305 /nfs/dbraw/zinc/03/63/05/168036305.db2.gz CUYFJORGSWUTJO-NSHDSACASA-N 1 1 178.279 1.523 10 0 ADAEMO C[NH2+][C@@H](CN)c1ccc(SC)cc1 50269776 168036664 /nfs/dbraw/zinc/03/66/64/168036664.db2.gz VTEFTDZIXWMSBC-JTQLQIEISA-N 1 1 196.319 1.628 10 0 ADAEMO CN[C@@H](C[NH3+])c1c(C)cc(C)cc1C 50269785 168036693 /nfs/dbraw/zinc/03/66/93/168036693.db2.gz OAKLPJPJIIGPTG-NSHDSACASA-N 1 1 192.306 1.831 10 0 ADAEMO CN[C@@H](C[NH3+])c1cc(C)ccc1C 50270048 168036708 /nfs/dbraw/zinc/03/67/08/168036708.db2.gz JFMLOZBRDCCSON-NSHDSACASA-N 1 1 178.279 1.523 10 0 ADAEMO C[NH2+][C@@H](CN)c1cc(C)sc1C 50270045 168036791 /nfs/dbraw/zinc/03/67/91/168036791.db2.gz VKRFPKSFWCAWIX-VIFPVBQESA-N 1 1 184.308 1.584 10 0 ADAEMO C[NH2+][C@@H](CN)c1ccc(Cl)s1 50269966 168036918 /nfs/dbraw/zinc/03/69/18/168036918.db2.gz SJJXAIPTGHTIBW-YFKPBYRVSA-N 1 1 190.699 1.621 10 0 ADAEMO C[NH2+][C@@H](CN)c1ccc(F)c(C)c1 50558698 168037307 /nfs/dbraw/zinc/03/73/07/168037307.db2.gz LTWNSRSIXCUEDX-JTQLQIEISA-N 1 1 182.242 1.353 10 0 ADAEMO CN[C@@H](C[NH3+])c1ccccc1C 50269779 168037364 /nfs/dbraw/zinc/03/73/64/168037364.db2.gz BLSOSZHXINMMKY-JTQLQIEISA-N 1 1 164.252 1.214 10 0 ADAEMO CN[C@@H](C[NH3+])c1sccc1C 50269825 168037819 /nfs/dbraw/zinc/03/78/19/168037819.db2.gz YRKLMPUOHKOZHK-ZETCQYMHSA-N 1 1 170.281 1.276 10 0 ADAEMO C[NH2+][C@@H](CN)c1ccc(F)c(F)c1 50269786 168037849 /nfs/dbraw/zinc/03/78/49/168037849.db2.gz XMPBOKMOVDITCL-VIFPVBQESA-N 1 1 186.205 1.184 10 0 ADAEMO C[NH2+][C@@H](COC)c1nccs1 45206245 168037904 /nfs/dbraw/zinc/03/79/04/168037904.db2.gz QETUYURJGTZSCR-LURJTMIESA-N 1 1 172.253 1.050 10 0 ADAEMO CN[C@@H](C[NH3+])c1ccc(C)cc1C 50269815 168037961 /nfs/dbraw/zinc/03/79/61/168037961.db2.gz OFQBVTTUOAWVHH-NSHDSACASA-N 1 1 178.279 1.523 10 0 ADAEMO C[NH2+][C@@H](c1ccccc1)c1ncccn1 37469160 168038479 /nfs/dbraw/zinc/03/84/79/168038479.db2.gz PGVSCFPFESOLDD-NSHDSACASA-N 1 1 199.257 1.785 10 0 ADAEMO C[NH2+][C@@H]1CC=CC[C@H]1N1CCCC1 34103323 168038818 /nfs/dbraw/zinc/03/88/18/168038818.db2.gz CPVXSIYYYTZFMI-GHMZBOCLSA-N 1 1 180.295 1.389 10 0 ADAEMO C[NH2+][C@@H](c1cn[nH]c1)c1ccco1 62777224 168038821 /nfs/dbraw/zinc/03/88/21/168038821.db2.gz ACDRHFSVNYNZRF-VIFPVBQESA-N 1 1 177.207 1.312 10 0 ADAEMO C[NH2+][C@@H](c1cncnc1)c1ccco1 54455948 168039057 /nfs/dbraw/zinc/03/90/57/168039057.db2.gz AMWOHMSNHXTDFE-JTQLQIEISA-N 1 1 189.218 1.378 10 0 ADAEMO C[NH2+][C@@H]1CC=CC[C@@H]1N1CCCC1 34103321 168039728 /nfs/dbraw/zinc/03/97/28/168039728.db2.gz CPVXSIYYYTZFMI-MNOVXSKESA-N 1 1 180.295 1.389 10 0 ADAEMO C[NH2+][C@@H](c1cnn(C)c1)c1ccco1 35499911 168039785 /nfs/dbraw/zinc/03/97/85/168039785.db2.gz YRDROSOUWMHSHY-JTQLQIEISA-N 1 1 191.234 1.322 10 0 ADAEMO C[NH2+][C@@H]1C(=O)N(C)c2c(F)cccc21 105902873 168040017 /nfs/dbraw/zinc/04/00/17/168040017.db2.gz JALIAMCDMKSDBE-QMMMGPOBSA-N 1 1 194.209 1.063 10 0 ADAEMO C[NH2+][C@@H]1CCN(C2CC2)[C@@H](C)C1 49708993 168040165 /nfs/dbraw/zinc/04/01/65/168040165.db2.gz HKLYHRVJLXYQBK-DTWKUNHWSA-N 1 1 168.284 1.221 10 0 ADAEMO CN[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)C1 49235715 168040190 /nfs/dbraw/zinc/04/01/90/168040190.db2.gz HYVVVDYUVCWPHS-LLVKDONJSA-N 1 1 194.322 1.469 10 0 ADAEMO CN[C@@H]1CC[N@H+](C(C2CC2)C2CC2)C1 49235715 168040191 /nfs/dbraw/zinc/04/01/91/168040191.db2.gz HYVVVDYUVCWPHS-LLVKDONJSA-N 1 1 194.322 1.469 10 0 ADAEMO C[NH2+][C@@H]1CCCC[C@@H]1N1CCCC1 39629163 168040899 /nfs/dbraw/zinc/04/08/99/168040899.db2.gz MFOLKXSQEXMDIR-MNOVXSKESA-N 1 1 182.311 1.613 10 0 ADAEMO C[NH2+][C@@H]1CCCc2s[nH]c(=O)c21 13803374 168041132 /nfs/dbraw/zinc/04/11/32/168041132.db2.gz MHGVSGHXCCFMJC-RXMQYKEDSA-N 1 1 184.264 1.033 10 0 ADAEMO C[NH2+][C@@H]1CCN(C)C12CCCCC2 39473126 168041423 /nfs/dbraw/zinc/04/14/23/168041423.db2.gz HRKBPEHIYKTYEH-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO C[NH2+][C@@H]1CCN([C@@H]2CC2(C)C)[C@@H](C)C1 45135331 168043577 /nfs/dbraw/zinc/04/35/77/168043577.db2.gz ICDSNWLGJXDRHS-HBNTYKKESA-N 1 1 196.338 1.857 10 0 ADAEMO C[NH2+][C@@]1(C(=O)OC)CCCC[C@@H]1C 37447757 168044626 /nfs/dbraw/zinc/04/46/26/168044626.db2.gz IVWPHELDQZUVII-WPRPVWTQSA-N 1 1 185.267 1.328 10 0 ADAEMO C[NH2+][C@@]1(C(=O)OC)CCC[C@H](C)C1 37447768 168045293 /nfs/dbraw/zinc/04/52/93/168045293.db2.gz FJRHRODBXKKQRL-WPRPVWTQSA-N 1 1 185.267 1.328 10 0 ADAEMO CN[C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@H]12 96062802 168045542 /nfs/dbraw/zinc/04/55/42/168045542.db2.gz DNPBEYAQKFKPST-SDDRHHMPSA-N 1 1 188.274 1.264 10 0 ADAEMO C[NH2+][C@@]1(C(=O)OC)CCCC[C@H]1C 37447756 168045700 /nfs/dbraw/zinc/04/57/00/168045700.db2.gz IVWPHELDQZUVII-SCZZXKLOSA-N 1 1 185.267 1.328 10 0 ADAEMO C[NH2+][C@@]1(C(=O)OC)CCC[C@@H](C)C1 37447767 168045915 /nfs/dbraw/zinc/04/59/15/168045915.db2.gz FJRHRODBXKKQRL-SCZZXKLOSA-N 1 1 185.267 1.328 10 0 ADAEMO CN[C@@](C)(C[NH3+])c1ccccc1 59842758 168046217 /nfs/dbraw/zinc/04/62/17/168046217.db2.gz QUIACRNJTMDTQX-JTQLQIEISA-N 1 1 164.252 1.080 10 0 ADAEMO CN[C@@]1(C[NH3+])CCCc2ccccc21 50269925 168046820 /nfs/dbraw/zinc/04/68/20/168046820.db2.gz MGMLXXJMVWDNTC-GFCCVEGCSA-N 1 1 190.290 1.396 10 0 ADAEMO C[NH2+][C@H](C(=O)OC)C1CCCCC1 37458385 168047476 /nfs/dbraw/zinc/04/74/76/168047476.db2.gz DCFBJPIZEHSJKI-VIFPVBQESA-N 1 1 185.267 1.328 10 0 ADAEMO C[NH2+][C@H](C(=O)OC)[C@@H]1CC=CCC1 37458507 168047617 /nfs/dbraw/zinc/04/76/17/168047617.db2.gz PTSOKNKCXYDGRJ-BDAKNGLRSA-N 1 1 183.251 1.104 10 0 ADAEMO C[NH2+][C@H](C(=O)OC)[C@H]1CC=CCC1 37458505 168047621 /nfs/dbraw/zinc/04/76/21/168047621.db2.gz PTSOKNKCXYDGRJ-IUCAKERBSA-N 1 1 183.251 1.104 10 0 ADAEMO C[NH2+][C@H](C(N)=O)c1ccccc1Cl 37869955 168048870 /nfs/dbraw/zinc/04/88/70/168048870.db2.gz JYJJHFQKCGBIOG-QMMMGPOBSA-N 1 1 198.653 1.086 10 0 ADAEMO C[NH2+][C@H](C)CCN(C)C1CC1 43822905 168048926 /nfs/dbraw/zinc/04/89/26/168048926.db2.gz ARRJRUFRYAFNOA-MRVPVSSYSA-N 1 1 156.273 1.079 10 0 ADAEMO CN[C@H](C)[C@@H](C)[NH+]1CCCCCC1 43812144 168049943 /nfs/dbraw/zinc/04/99/43/168049943.db2.gz DQTBDHDVVOIRBE-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CN[C@H](C)C[N@H+](C)[C@@H](C)C(C)C 43895343 168049986 /nfs/dbraw/zinc/04/99/86/168049986.db2.gz TZFLCZYVAXELHS-ZJUUUORDSA-N 1 1 172.316 1.571 10 0 ADAEMO CN[C@H](C)C[N@@H+](C)[C@@H](C)C(C)C 43895343 168049987 /nfs/dbraw/zinc/04/99/87/168049987.db2.gz TZFLCZYVAXELHS-ZJUUUORDSA-N 1 1 172.316 1.571 10 0 ADAEMO CN[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 43804643 168050003 /nfs/dbraw/zinc/05/00/03/168050003.db2.gz CSRVOWOGCMAAKX-GARJFASQSA-N 1 1 184.327 1.572 10 0 ADAEMO CN[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 43804645 168050010 /nfs/dbraw/zinc/05/00/10/168050010.db2.gz CSRVOWOGCMAAKX-GMTAPVOTSA-N 1 1 184.327 1.572 10 0 ADAEMO CN[C@H](C)[C@H](C)[NH+]1CCCCCC1 43812146 168050037 /nfs/dbraw/zinc/05/00/37/168050037.db2.gz DQTBDHDVVOIRBE-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CN[C@H](C)C[NH+]1[C@@H](C)CCC[C@@H]1C 43815522 168050349 /nfs/dbraw/zinc/05/03/49/168050349.db2.gz CISCXVYDCLZYRF-VWYCJHECSA-N 1 1 184.327 1.857 10 0 ADAEMO CN[C@H](C)C[NH+]1CCCCCC1 43812056 168050644 /nfs/dbraw/zinc/05/06/44/168050644.db2.gz BJPSRJDBVZHXGJ-SNVBAGLBSA-N 1 1 170.300 1.470 10 0 ADAEMO C[NH2+][C@H](C)Cc1ncc2ccccn12 20263492 168050704 /nfs/dbraw/zinc/05/07/04/168050704.db2.gz UNXJBRFYZTWQBP-SECBINFHSA-N 1 1 189.262 1.485 10 0 ADAEMO CN[C@H](C)C[NH+]1CCCCCCC1 43819054 168050740 /nfs/dbraw/zinc/05/07/40/168050740.db2.gz PQOLDJBRWKHZPA-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CN[C@H](C)[C@@H](C)[N@H+](C)C1CCCC1 43883850 168050846 /nfs/dbraw/zinc/05/08/46/168050846.db2.gz MZYPMJVOMDQQDL-NXEZZACHSA-N 1 1 184.327 1.857 10 0 ADAEMO CN[C@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 43883850 168050849 /nfs/dbraw/zinc/05/08/49/168050849.db2.gz MZYPMJVOMDQQDL-NXEZZACHSA-N 1 1 184.327 1.857 10 0 ADAEMO CN[C@H](C)C[N@H+](C)C1CCCCC1 44471661 168050923 /nfs/dbraw/zinc/05/09/23/168050923.db2.gz LFEQYGARUXVTLA-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CN[C@H](C)C[N@@H+](C)C1CCCCC1 44471661 168050925 /nfs/dbraw/zinc/05/09/25/168050925.db2.gz LFEQYGARUXVTLA-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CN[C@H](C)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 43804641 168050993 /nfs/dbraw/zinc/05/09/93/168050993.db2.gz CSRVOWOGCMAAKX-OUAUKWLOSA-N 1 1 184.327 1.572 10 0 ADAEMO CN[C@H](C)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 43804641 168050994 /nfs/dbraw/zinc/05/09/94/168050994.db2.gz CSRVOWOGCMAAKX-OUAUKWLOSA-N 1 1 184.327 1.572 10 0 ADAEMO CN[C@H](C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 43815520 168051013 /nfs/dbraw/zinc/05/10/13/168051013.db2.gz CISCXVYDCLZYRF-MXWKQRLJSA-N 1 1 184.327 1.857 10 0 ADAEMO CN[C@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 43815520 168051014 /nfs/dbraw/zinc/05/10/14/168051014.db2.gz CISCXVYDCLZYRF-MXWKQRLJSA-N 1 1 184.327 1.857 10 0 ADAEMO C[NH2+][C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C 43902886 168051130 /nfs/dbraw/zinc/05/11/30/168051130.db2.gz VVOXAVMIVMVOEM-AEJSXWLSSA-N 1 1 170.300 1.467 10 0 ADAEMO C[NH2+][C@H](C)[C@H](C)N1CCC[C@@H]1C 43902886 168051133 /nfs/dbraw/zinc/05/11/33/168051133.db2.gz VVOXAVMIVMVOEM-AEJSXWLSSA-N 1 1 170.300 1.467 10 0 ADAEMO C[NH2+][C@H](C)c1nc(CSC)no1 54494080 168051356 /nfs/dbraw/zinc/05/13/56/168051356.db2.gz XGQMZBQMVJXLPE-RXMQYKEDSA-N 1 1 187.268 1.213 10 0 ADAEMO C[NH2+][C@H](C)c1nnc([C@H]2CCCO2)o1 50618628 168051427 /nfs/dbraw/zinc/05/14/27/168051427.db2.gz SZNKTKBMZDVMSU-RNFRBKRXSA-N 1 1 197.238 1.202 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(CC2CC2)o1 50618588 168051572 /nfs/dbraw/zinc/05/15/72/168051572.db2.gz FEYXDHVTNCMXJU-ZCFIWIBFSA-N 1 1 181.239 1.303 10 0 ADAEMO C[NH2+][C@H](C)c1nc(C2CC2)no1 48445855 168051612 /nfs/dbraw/zinc/05/16/12/168051612.db2.gz FSLLBISXHKPLBG-RXMQYKEDSA-N 1 1 167.212 1.227 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(CC(C)(C)C)o1 50618452 168051637 /nfs/dbraw/zinc/05/16/37/168051637.db2.gz GCYILYCHKPJEGD-SSDOTTSWSA-N 1 1 197.282 1.939 10 0 ADAEMO C[NH2+][C@H](C)c1nc(C(C)C)no1 55359219 168051984 /nfs/dbraw/zinc/05/19/84/168051984.db2.gz GEWMNGAYQOQPHN-ZCFIWIBFSA-N 1 1 169.228 1.473 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(CC(C)C)o1 50618497 168052034 /nfs/dbraw/zinc/05/20/34/168052034.db2.gz XIGSRSKOKFSIOQ-SSDOTTSWSA-N 1 1 183.255 1.549 10 0 ADAEMO C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 55351854 168052131 /nfs/dbraw/zinc/05/21/31/168052131.db2.gz ZSKKQINHCLNAHO-ZCFIWIBFSA-N 1 1 183.255 1.648 10 0 ADAEMO C[NH2+][C@H](C)c1nnc([C@H]2C[C@@H]2C)o1 50618425 168052156 /nfs/dbraw/zinc/05/21/56/168052156.db2.gz GZHQHCLWTVMRMH-XVMARJQXSA-N 1 1 181.239 1.473 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(C2CCC2)o1 50618496 168052203 /nfs/dbraw/zinc/05/22/03/168052203.db2.gz FTMRIGIRNHPHAI-ZCFIWIBFSA-N 1 1 181.239 1.618 10 0 ADAEMO C[NH2+][C@H](C)c1ccc2nc[nH]c2c1 82587793 168052242 /nfs/dbraw/zinc/05/22/42/168052242.db2.gz ABUALJYHPJMGDN-SSDOTTSWSA-N 1 1 175.235 1.843 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(C(C)C)o1 50618487 168052250 /nfs/dbraw/zinc/05/22/50/168052250.db2.gz BNNIAUYFAVPVJF-ZCFIWIBFSA-N 1 1 169.228 1.473 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(C(C)(C)C)o1 50618538 168052261 /nfs/dbraw/zinc/05/22/61/168052261.db2.gz GZIGXGMTTRSIGU-ZCFIWIBFSA-N 1 1 183.255 1.648 10 0 ADAEMO C[NH2+][C@H](C)c1nc(CC(C)C)no1 54053169 168052273 /nfs/dbraw/zinc/05/22/73/168052273.db2.gz VOCLQUQVJQTTOG-SSDOTTSWSA-N 1 1 183.255 1.549 10 0 ADAEMO C[NH2+][C@H](C)c1csc(NC(C)=O)n1 76785004 168052290 /nfs/dbraw/zinc/05/22/90/168052290.db2.gz HABJKOFFCYJPMK-RXMQYKEDSA-N 1 1 199.279 1.382 10 0 ADAEMO C[NH2+][C@H](C)c1nnc([C@@H]2CCCO2)o1 50618626 168052308 /nfs/dbraw/zinc/05/23/08/168052308.db2.gz SZNKTKBMZDVMSU-RQJHMYQMSA-N 1 1 197.238 1.202 10 0 ADAEMO C[NH2+][C@H](C)c1nc2ccc(F)cc2[nH]1 54052949 168052654 /nfs/dbraw/zinc/05/26/54/168052654.db2.gz FFALIYIXDYEZTP-ZCFIWIBFSA-N 1 1 193.225 1.982 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(C2CC2)o1 50618289 168052746 /nfs/dbraw/zinc/05/27/46/168052746.db2.gz QZPKKVVFBOLOPD-RXMQYKEDSA-N 1 1 167.212 1.227 10 0 ADAEMO C[NH2+][C@H](C)c1nnc([C@@H]2C[C@@H]2C)o1 50618428 168052784 /nfs/dbraw/zinc/05/27/84/168052784.db2.gz GZHQHCLWTVMRMH-RRKCRQDMSA-N 1 1 181.239 1.473 10 0 ADAEMO CN[C@H](C[NH3+])c1c(C)cc(C)cc1C 50269784 168053205 /nfs/dbraw/zinc/05/32/05/168053205.db2.gz OAKLPJPJIIGPTG-LLVKDONJSA-N 1 1 192.306 1.831 10 0 ADAEMO CN[C@H](C[NH3+])c1cc(C)cc(C)c1 50270049 168053467 /nfs/dbraw/zinc/05/34/67/168053467.db2.gz CUYFJORGSWUTJO-LLVKDONJSA-N 1 1 178.279 1.523 10 0 ADAEMO C[NH2+][C@H](CN)c1ccc(F)cc1C 50579322 168053547 /nfs/dbraw/zinc/05/35/47/168053547.db2.gz HGCXFCYPOLQQMY-SNVBAGLBSA-N 1 1 182.242 1.353 10 0 ADAEMO CN[C@H](C[NH3+])c1ccc(C)c(C)c1 50269991 168053592 /nfs/dbraw/zinc/05/35/92/168053592.db2.gz PWSLXWDENSKVAU-LLVKDONJSA-N 1 1 178.279 1.523 10 0 ADAEMO CN[C@H](C[NH3+])c1sccc1C 50269824 168053653 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CO[C@H](C)C[N@H+]1CCC[C@](C)(F)C1 336275155 168214246 /nfs/dbraw/zinc/21/42/46/168214246.db2.gz AFAHIKLXBQDMRX-ZJUUUORDSA-N 1 1 189.274 1.845 10 0 ADAEMO CO[C@H](C)C[N@H+]1CCOCC2(CC2)C1 335491843 168214317 /nfs/dbraw/zinc/21/43/17/168214317.db2.gz XRLMTBNDELRMRV-SNVBAGLBSA-N 1 1 199.294 1.134 10 0 ADAEMO CO[C@H](C)C[N@H+]1CCOC(C)(C)C1 335521519 168214421 /nfs/dbraw/zinc/21/44/21/168214421.db2.gz OAONPCBESASSFA-SECBINFHSA-N 1 1 187.283 1.132 10 0 ADAEMO CO[C@H](C)C[N@H+]1CCC12CCC2 335521384 168214515 /nfs/dbraw/zinc/21/45/15/168214515.db2.gz UQHKFGJFXDCQBC-SECBINFHSA-N 1 1 169.268 1.650 10 0 ADAEMO CO[C@H](C)C[N@H+]1CCC[C@@](C)(F)C1 336275152 168214538 /nfs/dbraw/zinc/21/45/38/168214538.db2.gz AFAHIKLXBQDMRX-NXEZZACHSA-N 1 1 189.274 1.845 10 0 ADAEMO CO[C@H]1CCC[N@@H+](CC2(O)CCC2)C1 335306527 168214796 /nfs/dbraw/zinc/21/47/96/168214796.db2.gz CKSUHNYUTNYDGR-JTQLQIEISA-N 1 1 199.294 1.012 10 0 ADAEMO CO[C@H]1CC[N@@H+](Cc2cncs2)C1 307516228 168216153 /nfs/dbraw/zinc/21/61/53/168216153.db2.gz HNKCQHCDUMHNCB-QMMMGPOBSA-N 1 1 198.291 1.364 10 0 ADAEMO CO[C@H]1CC[N@@H+](Cc2ccccc2)C1 95931102 168216531 /nfs/dbraw/zinc/21/65/31/168216531.db2.gz QTKGPIMTYKXKPS-LBPRGKRZSA-N 1 1 191.274 1.907 10 0 ADAEMO CO[C@H]1CCC[C@H]1[NH2+]CC(F)F 50373659 168216794 /nfs/dbraw/zinc/21/67/94/168216794.db2.gz PYQHWYZYDWBHSC-RQJHMYQMSA-N 1 1 179.210 1.409 10 0 ADAEMO CO[C@H]1CC[N@@H+](Cc2cc[nH]c2)C1 306536480 168216829 /nfs/dbraw/zinc/21/68/29/168216829.db2.gz NDZPOYKBPYQNLT-JTQLQIEISA-N 1 1 180.251 1.235 10 0 ADAEMO CO[C@H]1CCC[C@H]1NCc1cc[nH]n1 50371108 168217599 /nfs/dbraw/zinc/21/75/99/168217599.db2.gz HPZMZLHPVHQYEN-ZJUUUORDSA-N 1 1 195.266 1.067 10 0 ADAEMO CO[C@H]1CCC[C@@H]1[NH2+]CC(F)F 50373657 168217740 /nfs/dbraw/zinc/21/77/40/168217740.db2.gz PYQHWYZYDWBHSC-BQBZGAKWSA-N 1 1 179.210 1.409 10 0 ADAEMO CO[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]cn1 54765305 168217818 /nfs/dbraw/zinc/21/78/18/168217818.db2.gz OLOZHKDUVUABBZ-UWVGGRQHSA-N 1 1 195.266 1.067 10 0 ADAEMO CO[C@H]1C[N@H+](C2CCC2)CC[C@H]1C 306499592 168218191 /nfs/dbraw/zinc/21/81/91/168218191.db2.gz JZHXAHFROQZSNG-KOLCDFICSA-N 1 1 183.295 1.896 10 0 ADAEMO CO[C@H]1C[C@@H](CO)[N@H+](C2CCCC2)C1 307393063 168219212 /nfs/dbraw/zinc/21/92/12/168219212.db2.gz LOOODTBSISCJCR-QWRGUYRKSA-N 1 1 199.294 1.011 10 0 ADAEMO CO[C@H]1C[N@H+](C2CCC2)CC[C@@H]1C 306499594 168219351 /nfs/dbraw/zinc/21/93/51/168219351.db2.gz JZHXAHFROQZSNG-ONGXEEELSA-N 1 1 183.295 1.896 10 0 ADAEMO CO[C@H]1CCc2[nH+]c(C)[nH]c2C1 76089156 168219416 /nfs/dbraw/zinc/21/94/16/168219416.db2.gz OSSKUGKEAHPRIY-ZETCQYMHSA-N 1 1 166.224 1.222 10 0 ADAEMO CO[C@H]1CCc2c([nH+]c(C)n2C)C1 75838648 168219497 /nfs/dbraw/zinc/21/94/97/168219497.db2.gz TXOWWXZTSHDAPD-QMMMGPOBSA-N 1 1 180.251 1.232 10 0 ADAEMO CO[C@]1(C)CCC[N@H+]([C@H]2CCOC2)C1 334150822 168221691 /nfs/dbraw/zinc/22/16/91/168221691.db2.gz NTIXZBDSLKZWFZ-WDEREUQCSA-N 1 1 199.294 1.276 10 0 ADAEMO CO[C@]1(C)CCC[N@H+]([C@@H]2CCOC2)C1 334150819 168222194 /nfs/dbraw/zinc/22/21/94/168222194.db2.gz NTIXZBDSLKZWFZ-GHMZBOCLSA-N 1 1 199.294 1.276 10 0 ADAEMO COc1c(C)cc([C@@H]([NH3+])CN)cc1C 44470789 168222914 /nfs/dbraw/zinc/22/29/14/168222914.db2.gz PPNABZLXWLRLCF-JTQLQIEISA-N 1 1 194.278 1.271 10 0 ADAEMO COc1c(C)cc([C@H]([NH3+])CN)cc1C 44470787 168223066 /nfs/dbraw/zinc/22/30/66/168223066.db2.gz PPNABZLXWLRLCF-SNVBAGLBSA-N 1 1 194.278 1.271 10 0 ADAEMO COc1c(C)cc(C)cc1C(=O)C[NH3+] 71506340 168223607 /nfs/dbraw/zinc/22/36/07/168223607.db2.gz JRAONTXTTMQOED-UHFFFAOYSA-N 1 1 193.246 1.453 10 0 ADAEMO COc1c(C)ccc(C)c1C(=O)C[NH3+] 82892527 168223723 /nfs/dbraw/zinc/22/37/23/168223723.db2.gz BPPDNCZUTQQPGQ-UHFFFAOYSA-N 1 1 193.246 1.453 10 0 ADAEMO COc1c(C[NH3+])oc2ccccc12 82869429 168224701 /nfs/dbraw/zinc/22/47/01/168224701.db2.gz KGVYQGQUYUWENU-UHFFFAOYSA-N 1 1 177.203 1.900 10 0 in-vitro ADAEMO COc1c(Cl)cccc1C(=O)C[NH3+] 82912225 168225485 /nfs/dbraw/zinc/22/54/85/168225485.db2.gz AXJJUWKJQPSVSM-UHFFFAOYSA-N 1 1 199.637 1.490 10 0 ADAEMO COc1cc(N)c(OC)c2[nH+]c[nH]c12 113686782 168225730 /nfs/dbraw/zinc/22/57/30/168225730.db2.gz HJCQQGRLFZBVKO-UHFFFAOYSA-N 1 1 193.206 1.162 10 0 ADAEMO COc1c(OC2CC2)cc[nH+]c1C 95729029 168226454 /nfs/dbraw/zinc/22/64/54/168226454.db2.gz MTIDIRGXSFWOMI-UHFFFAOYSA-N 1 1 179.219 1.940 10 0 ADAEMO COc1cc(C)c(C(=O)C[NH3+])c(C)c1 36156848 168228581 /nfs/dbraw/zinc/22/85/81/168228581.db2.gz LZUYWFMLURRFJC-UHFFFAOYSA-N 1 1 193.246 1.453 10 0 ADAEMO COc1cc(C)c(C(=O)C[NH3+])cc1C 36156846 168228767 /nfs/dbraw/zinc/22/87/67/168228767.db2.gz OXCSLRLOMRXVSB-UHFFFAOYSA-N 1 1 193.246 1.453 10 0 ADAEMO COc1cc(C)c(C)cc1C(=O)C[NH3+] 36156845 168228876 /nfs/dbraw/zinc/22/88/76/168228876.db2.gz HRNXGSNSMNQMHC-UHFFFAOYSA-N 1 1 193.246 1.453 10 0 ADAEMO COc1cc(C)cc(C)c1C(=O)C[NH3+] 82588691 168229975 /nfs/dbraw/zinc/22/99/75/168229975.db2.gz TWSAWLKQQKOTKP-UHFFFAOYSA-N 1 1 193.246 1.453 10 0 ADAEMO COc1cc(C)c([C@H]([NH3+])CN)cc1C 72200423 168230247 /nfs/dbraw/zinc/23/02/47/168230247.db2.gz QWASOOZVXFEVGZ-SNVBAGLBSA-N 1 1 194.278 1.271 10 0 ADAEMO COc1cc(C)c([C@@H]([NH3+])CN)cc1C 72200424 168231068 /nfs/dbraw/zinc/23/10/68/168231068.db2.gz QWASOOZVXFEVGZ-JTQLQIEISA-N 1 1 194.278 1.271 10 0 ADAEMO COc1cc(C)[nH+]cc1OC1CC1 95730037 168232076 /nfs/dbraw/zinc/23/20/76/168232076.db2.gz XDWWFVPCUHCWLO-UHFFFAOYSA-N 1 1 179.219 1.940 10 0 ADAEMO COc1cc(C)ccc1C(=O)C[NH3+] 82397246 168232665 /nfs/dbraw/zinc/23/26/65/168232665.db2.gz HBWXXTNQGANIEM-UHFFFAOYSA-N 1 1 179.219 1.145 10 0 ADAEMO COc1cc(Cl)ccc1C(=O)C[NH3+] 82912224 168234720 /nfs/dbraw/zinc/23/47/20/168234720.db2.gz CKZLCHYDZHZNOU-UHFFFAOYSA-N 1 1 199.637 1.490 10 0 ADAEMO COc1cc(O)cc2c1C[N@@H+](C)CC2 75581255 168237299 /nfs/dbraw/zinc/23/72/99/168237299.db2.gz CNACXZGXQCBPMG-UHFFFAOYSA-N 1 1 193.246 1.389 10 0 ADAEMO COc1cc(N)cc2[nH+]c[nH]c12 95924478 168238237 /nfs/dbraw/zinc/23/82/37/168238237.db2.gz GUQQUHGLEGUTFX-UHFFFAOYSA-N 1 1 163.180 1.154 10 0 ADAEMO COc1cc2c(c[nH+]1)CCCN2 95762337 168241298 /nfs/dbraw/zinc/24/12/98/168241298.db2.gz VECAQVCNLFOFIS-UHFFFAOYSA-N 1 1 164.208 1.448 10 0 ADAEMO COc1cc2c(cc1N)C[N@H+](C)C2 114011986 168241476 /nfs/dbraw/zinc/24/14/76/168241476.db2.gz NOJQPSCNUCMLHZ-UHFFFAOYSA-N 1 1 178.235 1.223 10 0 ADAEMO COc1cc2c(cc1N)C[N@@H+](C)C2 114011986 168241479 /nfs/dbraw/zinc/24/14/79/168241479.db2.gz NOJQPSCNUCMLHZ-UHFFFAOYSA-N 1 1 178.235 1.223 10 0 ADAEMO COc1cc2c(cc1O)[nH+]c(C)n2C 45238259 168241651 /nfs/dbraw/zinc/24/16/51/168241651.db2.gz WKKDBHZYROJASK-UHFFFAOYSA-N 1 1 192.218 1.596 10 0 ADAEMO COc1cc2cc[nH+]c(N)c2cc1F 71482639 168242250 /nfs/dbraw/zinc/24/22/50/168242250.db2.gz BUICEGXZOQJELW-UHFFFAOYSA-N 1 1 192.193 1.965 10 0 ADAEMO COc1ccc(C(=O)C[NH3+])cc1C 58327314 168243676 /nfs/dbraw/zinc/24/36/76/168243676.db2.gz UMPZXZPPTAAYCJ-UHFFFAOYSA-N 1 1 179.219 1.145 10 0 ADAEMO COc1ccc(C(=O)C[NH3+])c(C)c1C 71506341 168243697 /nfs/dbraw/zinc/24/36/97/168243697.db2.gz MSLFHKCUFNWHPM-UHFFFAOYSA-N 1 1 193.246 1.453 10 0 ADAEMO COc1ccc(C(=O)C[NH3+])cc1Cl 36157265 168244216 /nfs/dbraw/zinc/24/42/16/168244216.db2.gz WRQGNWAFPZZJCK-UHFFFAOYSA-N 1 1 199.637 1.490 10 0 ADAEMO COc1ccc(C(=O)C[NH3+])c(Cl)c1 71507924 168244634 /nfs/dbraw/zinc/24/46/34/168244634.db2.gz KTRMWLMYDVCMFH-UHFFFAOYSA-N 1 1 199.637 1.490 10 0 ADAEMO COc1ccc(C(F)(F)C[NH3+])cc1 95774099 168245862 /nfs/dbraw/zinc/24/58/62/168245862.db2.gz JIGTZMIFTQGYRA-UHFFFAOYSA-N 1 1 187.189 1.746 10 0 ADAEMO COc1ccc(C)cc1C(=O)C[NH3+] 58114608 168248303 /nfs/dbraw/zinc/24/83/03/168248303.db2.gz KTDTZMMXNZRLTA-UHFFFAOYSA-N 1 1 179.219 1.145 10 0 ADAEMO COc1ccc(C[NH+]2CC(C)C2)cn1 335912102 168251182 /nfs/dbraw/zinc/25/11/82/168251182.db2.gz FSFNXGBBOXHOBC-UHFFFAOYSA-N 1 1 192.262 1.542 10 0 ADAEMO COc1ccc(Cl)cc1C(=O)C[NH3+] 36157268 168252694 /nfs/dbraw/zinc/25/26/94/168252694.db2.gz WWXHZVSDIJERSK-UHFFFAOYSA-N 1 1 199.637 1.490 10 0 ADAEMO COc1ccc(F)c(C(N)=[NH2+])c1F 75915118 168252985 /nfs/dbraw/zinc/25/29/85/168252985.db2.gz OEJNZNQGACCQTR-UHFFFAOYSA-N 1 1 186.161 1.257 10 0 ADAEMO COc1ccc(N)c2c1CC[N@@H+](C)C2 82790097 168254758 /nfs/dbraw/zinc/25/47/58/168254758.db2.gz OONIIUXNKCAFOD-UHFFFAOYSA-N 1 1 192.262 1.265 10 0 ADAEMO COC1C[NH+](Cc2ccccc2)C1 307324107 168147829 /nfs/dbraw/zinc/14/78/29/168147829.db2.gz DONLQZOXGQMIJX-UHFFFAOYSA-N 1 1 177.247 1.517 10 0 ADAEMO COc1ccc([C@@H]([NH3+])CN)c(C)c1C 72200422 168258053 /nfs/dbraw/zinc/25/80/53/168258053.db2.gz WWTBEUPODAWRNB-JTQLQIEISA-N 1 1 194.278 1.271 10 0 ADAEMO COc1ccc([C@@H]2[NH2+]CCO2)cc1O 49811422 168258577 /nfs/dbraw/zinc/25/85/77/168258577.db2.gz HWRFFTUAOCAYQY-SNVBAGLBSA-N 1 1 195.218 1.019 10 0 ADAEMO COc1ccc([C@H]([NH3+])CN)c(C)c1C 72200421 168259911 /nfs/dbraw/zinc/25/99/11/168259911.db2.gz WWTBEUPODAWRNB-SNVBAGLBSA-N 1 1 194.278 1.271 10 0 ADAEMO COc1ccc([C@H]2[NH2+]CCO2)cc1O 49811423 168260707 /nfs/dbraw/zinc/26/07/07/168260707.db2.gz HWRFFTUAOCAYQY-JTQLQIEISA-N 1 1 195.218 1.019 10 0 ADAEMO COc1ccc2c(c1)C[N@@H+](CCO)C2 58012245 168261598 /nfs/dbraw/zinc/26/15/98/168261598.db2.gz CHWUTAPLAJXJEP-UHFFFAOYSA-N 1 1 193.246 1.003 10 0 ADAEMO COc1ccc2c(c1)C[N@H+](CCO)C2 58012245 168261599 /nfs/dbraw/zinc/26/15/99/168261599.db2.gz CHWUTAPLAJXJEP-UHFFFAOYSA-N 1 1 193.246 1.003 10 0 ADAEMO COc1ccc2c(c1)C[N@@H+](C)C2 39081842 168261692 /nfs/dbraw/zinc/26/16/92/168261692.db2.gz SNJDUXRJPVBZRQ-UHFFFAOYSA-N 1 1 163.220 1.641 10 0 ADAEMO COc1ccc2c(c1)C[N@H+](C)C2 39081842 168261694 /nfs/dbraw/zinc/26/16/94/168261694.db2.gz SNJDUXRJPVBZRQ-UHFFFAOYSA-N 1 1 163.220 1.641 10 0 ADAEMO COc1ccc2c(c1O)CC[N@H+](C)C2 75581247 168265481 /nfs/dbraw/zinc/26/54/81/168265481.db2.gz BXEKNQRKBFASRY-UHFFFAOYSA-N 1 1 193.246 1.389 10 0 ADAEMO COc1ccc2oc([C@H](C)[NH3+])nc2c1 82388933 168265850 /nfs/dbraw/zinc/26/58/50/168265850.db2.gz AFCRICDCRIHRJZ-LURJTMIESA-N 1 1 192.218 1.856 10 0 ADAEMO COc1ccc2oc([C@@H](C)[NH3+])nc2c1 82388934 168266216 /nfs/dbraw/zinc/26/62/16/168266216.db2.gz AFCRICDCRIHRJZ-ZCFIWIBFSA-N 1 1 192.218 1.856 10 0 ADAEMO COc1ccc2[nH+]c(C)cn2c1 89201626 168266296 /nfs/dbraw/zinc/26/62/96/168266296.db2.gz WIMHUMILCZAGSQ-UHFFFAOYSA-N 1 1 162.192 1.651 10 0 ADAEMO COc1ccc2cc[nH+]c(N)c2c1 71482602 168266322 /nfs/dbraw/zinc/26/63/22/168266322.db2.gz DFGBZXMIKBTZGK-UHFFFAOYSA-N 1 1 174.203 1.826 10 0 ADAEMO COc1ccc2nc(C[NH3+])oc2c1 74306532 168266391 /nfs/dbraw/zinc/26/63/91/168266391.db2.gz AMTZJLLXNGZFBB-UHFFFAOYSA-N 1 1 178.191 1.295 10 0 ADAEMO COc1cccc(C[NH+]2CC(C)C2)n1 335675901 168269902 /nfs/dbraw/zinc/26/99/02/168269902.db2.gz ZEWVVSQHRTXGIC-UHFFFAOYSA-N 1 1 192.262 1.542 10 0 ADAEMO COc1cccc([C@@H](N)C[NH+](C)C)c1 19821386 168271514 /nfs/dbraw/zinc/27/15/14/168271514.db2.gz WOXUSPLHTGHAEA-NSHDSACASA-N 1 1 194.278 1.257 10 0 ADAEMO COc1cccc2[nH]nc(C[NH3+])c12 76602004 168272013 /nfs/dbraw/zinc/27/20/13/168272013.db2.gz MDTPSIZYCJMXEM-UHFFFAOYSA-N 1 1 177.207 1.030 10 0 ADAEMO COc1cccc([C@H](N)C[NH+](C)C)c1 19821388 168272814 /nfs/dbraw/zinc/27/28/14/168272814.db2.gz WOXUSPLHTGHAEA-LLVKDONJSA-N 1 1 194.278 1.257 10 0 ADAEMO COc1cccc2c1CC[N@@H+](C)CC2 13728512 168274416 /nfs/dbraw/zinc/27/44/16/168274416.db2.gz MIPZIIZDMHWHQJ-UHFFFAOYSA-N 1 1 191.274 1.726 10 0 ADAEMO COc1cc[nH+]c(C)c1OC1CC1 95728081 168277843 /nfs/dbraw/zinc/27/78/43/168277843.db2.gz YMDNFJOIGLQFNG-UHFFFAOYSA-N 1 1 179.219 1.940 10 0 ADAEMO COc1ccccc1[C@@H]1[NH2+]CCCO1 49807053 168277953 /nfs/dbraw/zinc/27/79/53/168277953.db2.gz XUQRETFBIIWWIP-LLVKDONJSA-N 1 1 193.246 1.704 10 0 ADAEMO COc1ccccc1[C@H]1[NH2+]CCCO1 49807054 168278009 /nfs/dbraw/zinc/27/80/09/168278009.db2.gz XUQRETFBIIWWIP-NSHDSACASA-N 1 1 193.246 1.704 10 0 ADAEMO COc1cccn2c(N)c(C)[nH+]c12 82494704 168278055 /nfs/dbraw/zinc/27/80/55/168278055.db2.gz BOQZWIATWKZFLO-UHFFFAOYSA-N 1 1 177.207 1.234 10 0 ADAEMO COc1ccccc1[C@@H]1[NH2+]CCO1 34156418 168278358 /nfs/dbraw/zinc/27/83/58/168278358.db2.gz WJNZYLZPLGZWEB-SNVBAGLBSA-N 1 1 179.219 1.314 10 0 ADAEMO COc1ccccc1[C@H](N)C[NH+](C)C 23071971 168278632 /nfs/dbraw/zinc/27/86/32/168278632.db2.gz 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/nfs/dbraw/zinc/36/40/52/168364052.db2.gz SOIDUBTYXLFTDM-JLLWLGSASA-N 1 1 190.290 1.479 10 0 ADAEMO C[C@@H]([NH3+])CN[C@H](C)Cc1ccco1 42593983 168364331 /nfs/dbraw/zinc/36/43/31/168364331.db2.gz SSYJNEQCWBJYGH-RKDXNWHRSA-N 1 1 182.267 1.147 10 0 ADAEMO C[C@@H](N)C[NH2+][C@H](C)Cc1ccco1 42593983 168364332 /nfs/dbraw/zinc/36/43/32/168364332.db2.gz SSYJNEQCWBJYGH-RKDXNWHRSA-N 1 1 182.267 1.147 10 0 ADAEMO C[C@@H]([NH3+])Cc1cccc2nc[nH]c12 74308520 168365089 /nfs/dbraw/zinc/36/50/89/168365089.db2.gz NFKARABQLSUKSO-SSDOTTSWSA-N 1 1 175.235 1.453 10 0 ADAEMO C[C@@H](N)[C@@H](C)[N@@H+](C)C1CCCCC1 41053745 168365407 /nfs/dbraw/zinc/36/54/07/168365407.db2.gz JFSXZEQLXPHBDX-NXEZZACHSA-N 1 1 184.327 1.987 10 0 ADAEMO C[C@@H](N)[C@@H](C)[N@@H+](C)CC(C)(C)C 45072311 168365761 /nfs/dbraw/zinc/36/57/61/168365761.db2.gz XQZJLJDXOGVHKQ-RKDXNWHRSA-N 1 1 172.316 1.700 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C)N(C)CC(C)(C)C 45072311 168365762 /nfs/dbraw/zinc/36/57/62/168365762.db2.gz XQZJLJDXOGVHKQ-RKDXNWHRSA-N 1 1 172.316 1.700 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C)N1CCCCCC1 41053729 168366003 /nfs/dbraw/zinc/36/60/03/168366003.db2.gz MFVHRHIFYRTFKC-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@@H](N)[C@@H]([NH+](C)C)C(C)(C)C 43291694 168366373 /nfs/dbraw/zinc/36/63/73/168366373.db2.gz PVGXWFIKFIXZKF-HTQZYQBOSA-N 1 1 158.289 1.310 10 0 ADAEMO C[C@@H](N)[C@@H](C)[NH2+]C1CCCCC1 307665448 168366466 /nfs/dbraw/zinc/36/64/66/168366466.db2.gz BEDQIJUVRPBCOQ-RKDXNWHRSA-N 1 1 170.300 1.644 10 0 ADAEMO C[C@@H]([NH3+])Cc1nc2ccc(F)cc2[nH]1 37439098 168366635 /nfs/dbraw/zinc/36/66/35/168366635.db2.gz ZPOHUDRCTNYBKO-ZCFIWIBFSA-N 1 1 193.225 1.592 10 0 ADAEMO C[C@@H](N)[C@@H](C)[N@@H+](C)CC1CC1 41053893 168366679 /nfs/dbraw/zinc/36/66/79/168366679.db2.gz CLGKWKVREYSDNO-HTQZYQBOSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C)N(C)CC1CC1 41053893 168366680 /nfs/dbraw/zinc/36/66/80/168366680.db2.gz CLGKWKVREYSDNO-HTQZYQBOSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H](N)[C@@H](C)[N@@H+](C)CC1CCC1 61456146 168366691 /nfs/dbraw/zinc/36/66/91/168366691.db2.gz AHBCZDLYWLWNMP-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C)N(C)CC1CCC1 61456146 168366693 /nfs/dbraw/zinc/36/66/93/168366693.db2.gz AHBCZDLYWLWNMP-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H](N)[C@@H](C)[N@@H+](C)C1CCCC1 41053793 168366724 /nfs/dbraw/zinc/36/67/24/168366724.db2.gz OVSSOWJSHQUPLM-RKDXNWHRSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C)N(C)C1CCCC1 41053793 168366726 /nfs/dbraw/zinc/36/67/26/168366726.db2.gz OVSSOWJSHQUPLM-RKDXNWHRSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@@H]([NH3+])Cc1[nH]nc2ccc(F)cc12 20446100 168366765 /nfs/dbraw/zinc/36/67/65/168366765.db2.gz MYPDWNDVLHYGJG-ZCFIWIBFSA-N 1 1 193.225 1.592 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C)N1CCCCC1 41053737 168366853 /nfs/dbraw/zinc/36/68/53/168366853.db2.gz MBIRHZCLRSGTMC-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@@H]([NH3+])Cc1ncc2ccccn12 20263484 168366865 /nfs/dbraw/zinc/36/68/65/168366865.db2.gz XAPOFZDHOIDDPB-MRVPVSSYSA-N 1 1 175.235 1.224 10 0 ADAEMO C[C@@H]([NH3+])Cc1ncc(C(F)(F)F)[nH]1 37476810 168366935 /nfs/dbraw/zinc/36/69/35/168366935.db2.gz VYURCRNXGABUKD-SCSAIBSYSA-N 1 1 193.172 1.318 10 0 ADAEMO C[C@@H]([NH3+])Cc1[nH]nc2ccc(O)cc12 27231 168367107 /nfs/dbraw/zinc/36/71/07/168367107.db2.gz MUVNPHDJNYIOQP-ZCFIWIBFSA-N 1 1 191.234 1.158 10 0 ADAEMO C[C@@H](N)[C@@H]([NH3+])c1ccccc1 39234753 168367211 /nfs/dbraw/zinc/36/72/11/168367211.db2.gz PRCXGQJVEKZKQR-VXNVDRBHSA-N 1 1 150.225 1.034 10 0 ADAEMO C[C@@H]([NH3+])Cc1nc(C2CCCC2)n[nH]1 41058839 168367226 /nfs/dbraw/zinc/36/72/26/168367226.db2.gz LBAJDQVHYVMTTH-SSDOTTSWSA-N 1 1 194.282 1.352 10 0 ADAEMO C[C@@H](N)[C@H]([N@@H+](C)C1CC1)C(C)(C)C 43292108 168367447 /nfs/dbraw/zinc/36/74/47/168367447.db2.gz FCTKZFFSLWGQKT-SCZZXKLOSA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@@H]([NH3+])[C@H](N(C)C1CC1)C(C)(C)C 43292108 168367448 /nfs/dbraw/zinc/36/74/48/168367448.db2.gz FCTKZFFSLWGQKT-SCZZXKLOSA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(-c2ccncc2)[nH]1 82517143 168367716 /nfs/dbraw/zinc/36/77/16/168367716.db2.gz HJCWEKMSUIUFOD-SSDOTTSWSA-N 1 1 188.234 1.491 10 0 ADAEMO C[C@@H](N)[C@H](c1ccco1)[NH+]1CCCC1 43334304 168367867 /nfs/dbraw/zinc/36/78/67/168367867.db2.gz XOSGLXCTPCVESS-MWLCHTKSSA-N 1 1 194.278 1.764 10 0 ADAEMO C[C@@H]([NH3+])c1cnc2cc[nH]cc1-2 83269435 168367888 /nfs/dbraw/zinc/36/78/88/168367888.db2.gz VRIBONQBNZLAGW-ZCFIWIBFSA-N 1 1 161.208 1.583 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(-c2ccccn2)[nH]1 82517134 168367940 /nfs/dbraw/zinc/36/79/40/168367940.db2.gz ZKZWBCPXTVSSMJ-SSDOTTSWSA-N 1 1 188.234 1.491 10 0 ADAEMO C[C@@H]([NH3+])c1cnc([C@H]2CCCO2)[nH]1 82516980 168367995 /nfs/dbraw/zinc/36/79/95/168367995.db2.gz KYZRFUVLSKESRM-HTRCEHHLSA-N 1 1 181.239 1.281 10 0 ADAEMO C[C@@H]([NH3+])c1cnc([C@@H]2CCCO2)[nH]1 82516978 168368083 /nfs/dbraw/zinc/36/80/83/168368083.db2.gz KYZRFUVLSKESRM-SVRRBLITSA-N 1 1 181.239 1.281 10 0 ADAEMO C[C@@H](N)[C@H]([NH3+])c1ccccc1 39234751 168368199 /nfs/dbraw/zinc/36/81/99/168368199.db2.gz PRCXGQJVEKZKQR-APPZFPTMSA-N 1 1 150.225 1.034 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(N2CCCC2)[nH]1 82873071 168368340 /nfs/dbraw/zinc/36/83/40/168368340.db2.gz DAAHGBAHWAHQDA-SSDOTTSWSA-N 1 1 180.255 1.030 10 0 ADAEMO C[C@@H](N)[C@H]([NH+](C)C)C(C)(C)C 43291690 168368372 /nfs/dbraw/zinc/36/83/72/168368372.db2.gz PVGXWFIKFIXZKF-SFYZADRCSA-N 1 1 158.289 1.310 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(-c2ccco2)[nH]1 82517148 168368444 /nfs/dbraw/zinc/36/84/44/168368444.db2.gz CCXYPFOENMRUNF-ZCFIWIBFSA-N 1 1 177.207 1.689 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(C(C)(C)C)[nH]1 82516956 168368851 /nfs/dbraw/zinc/36/88/51/168368851.db2.gz JYVONTJXNURCFW-ZCFIWIBFSA-N 1 1 167.256 1.727 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(-c2cccnc2)[nH]1 82517138 168368869 /nfs/dbraw/zinc/36/88/69/168368869.db2.gz GTBBDEPVXDPWJG-SSDOTTSWSA-N 1 1 188.234 1.491 10 0 ADAEMO C[C@@H](N)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 83591541 168369031 /nfs/dbraw/zinc/36/90/31/168369031.db2.gz HIZGCVBIBJYSAG-KATARQTJSA-N 1 1 168.284 1.254 10 0 ADAEMO C[C@@H]([NH3+])c1nc2cc(F)ccc2o1 82510321 168371936 /nfs/dbraw/zinc/37/19/36/168371936.db2.gz XKSUHPVZRVVZRT-RXMQYKEDSA-N 1 1 180.182 1.987 10 0 ADAEMO C[C@@H]([NH3+])c1nc2cc(Cl)cnc2o1 71485447 168372067 /nfs/dbraw/zinc/37/20/67/168372067.db2.gz DUSXSVUSGVTQBK-SCSAIBSYSA-N 1 1 197.625 1.896 10 0 ADAEMO C[C@@H]([NH3+])c1nc2ccc(F)cc2[nH]1 37439057 168372736 /nfs/dbraw/zinc/37/27/36/168372736.db2.gz FAWZHYFMWUHJTG-RXMQYKEDSA-N 1 1 179.198 1.722 10 0 ADAEMO C[C@@H]([NH3+])c1nc(CC(F)(F)F)no1 42413023 168373087 /nfs/dbraw/zinc/37/30/87/168373087.db2.gz POHWJZMJNJXTSE-GSVOUGTGSA-N 1 1 195.144 1.194 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(C2CCC2)o1 50284293 168373595 /nfs/dbraw/zinc/37/35/95/168373595.db2.gz GQIIXVCOTOMNGG-RXMQYKEDSA-N 1 1 167.212 1.357 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2ccco2)s1 83280171 168373763 /nfs/dbraw/zinc/37/37/63/168373763.db2.gz PISXYKJKOVATDR-RXMQYKEDSA-N 1 1 195.247 1.818 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2cccs2)o1 11586058 168373942 /nfs/dbraw/zinc/37/39/42/168373942.db2.gz ZHKGTXUPUYPCBR-RXMQYKEDSA-N 1 1 195.247 1.818 10 0 ADAEMO C[C@@H]([NH3+])c1ncc(-c2cccnc2)o1 75845373 168373999 /nfs/dbraw/zinc/37/39/99/168373999.db2.gz NGIRFMNEWVTEKV-SSDOTTSWSA-N 1 1 189.218 1.756 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2ccco2)o1 11586054 168374133 /nfs/dbraw/zinc/37/41/33/168374133.db2.gz MASQSDGVXPJJIX-RXMQYKEDSA-N 1 1 179.179 1.349 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(C(F)(F)F)s1 83281629 168374193 /nfs/dbraw/zinc/37/41/93/168374193.db2.gz FCLYKLKPYIUQND-UWTATZPHSA-N 1 1 197.185 1.577 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(C(F)F)o1 50284323 168374377 /nfs/dbraw/zinc/37/43/77/168374377.db2.gz ZNEJIXJVCXRNSC-UWTATZPHSA-N 1 1 163.127 1.027 10 0 ADAEMO C[C@@H]([NH3+])c1nnc([C@H]2CCCCO2)o1 50973780 168374394 /nfs/dbraw/zinc/37/43/94/168374394.db2.gz PONZINQVUMLMOJ-RNFRBKRXSA-N 1 1 197.238 1.331 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(N2CCCCC2)o1 11587259 168374412 /nfs/dbraw/zinc/37/44/12/168374412.db2.gz HWSGPSBLZBLPBF-SSDOTTSWSA-N 1 1 196.254 1.080 10 0 ADAEMO C[C@@H]([NH3+])c1nc2cccnc2o1 71485440 168374419 /nfs/dbraw/zinc/37/44/19/168374419.db2.gz FXARDFVBVUYUDK-RXMQYKEDSA-N 1 1 163.180 1.243 10 0 ADAEMO C[C@@H]([N@H+]1CCCNCC1)C(C)(C)C 76580831 168374503 /nfs/dbraw/zinc/37/45/03/168374503.db2.gz PANNGCKOIBTVMH-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@@H](N1CCC[NH2+]CC1)C(C)(C)C 76580831 168374508 /nfs/dbraw/zinc/37/45/08/168374508.db2.gz PANNGCKOIBTVMH-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2ccsc2)o1 50284101 168374553 /nfs/dbraw/zinc/37/45/53/168374553.db2.gz ASIYMYYDVQXKIT-RXMQYKEDSA-N 1 1 195.247 1.818 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(CC2CCCC2)o1 50284255 168374616 /nfs/dbraw/zinc/37/46/16/168374616.db2.gz RFVZRHLAOWSIRJ-SSDOTTSWSA-N 1 1 195.266 1.822 10 0 ADAEMO C[C@@H]([NH3+])c1nnc([C@@H]2CCCCO2)o1 50973776 168374716 /nfs/dbraw/zinc/37/47/16/168374716.db2.gz PONZINQVUMLMOJ-RQJHMYQMSA-N 1 1 197.238 1.331 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(CC2CC2)o1 50284373 168374997 /nfs/dbraw/zinc/37/49/97/168374997.db2.gz JYGFDVJRZCOWQP-RXMQYKEDSA-N 1 1 167.212 1.042 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(C(F)(F)F)o1 62152443 168375165 /nfs/dbraw/zinc/37/51/65/168375165.db2.gz LVHOUHBLHUTCGG-UWTATZPHSA-N 1 1 181.117 1.108 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(CC(F)(F)F)o1 50284249 168375198 /nfs/dbraw/zinc/37/51/98/168375198.db2.gz PXDQCSIJFZBVNE-GSVOUGTGSA-N 1 1 195.144 1.194 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(C2CCCC2)o1 50284383 168375224 /nfs/dbraw/zinc/37/52/24/168375224.db2.gz FOBVEIMGSCXAMT-ZCFIWIBFSA-N 1 1 181.239 1.747 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2cccnc2)o1 11586067 168375248 /nfs/dbraw/zinc/37/52/48/168375248.db2.gz VDGDKZVGNCXXNT-ZCFIWIBFSA-N 1 1 190.206 1.151 10 0 ADAEMO C[C@@H](N1CC[NH2+]CC1)C(C)(C)C 31996395 168375481 /nfs/dbraw/zinc/37/54/81/168375481.db2.gz KDYZGZKOBYHUAL-SECBINFHSA-N 1 1 170.300 1.326 10 0 ADAEMO C[C@@H]([NH3+])c1nc2ncccc2o1 82522606 168375487 /nfs/dbraw/zinc/37/54/87/168375487.db2.gz RYEBMNBAEDFGFG-RXMQYKEDSA-N 1 1 163.180 1.243 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2ccoc2)o1 50284113 168375668 /nfs/dbraw/zinc/37/56/68/168375668.db2.gz MGDASSNMROOSGG-RXMQYKEDSA-N 1 1 179.179 1.349 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2ccncc2)o1 11586072 168375794 /nfs/dbraw/zinc/37/57/94/168375794.db2.gz BFEONDSRYFUWGE-ZCFIWIBFSA-N 1 1 190.206 1.151 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(C(C)(C)C)o1 11586049 168375848 /nfs/dbraw/zinc/37/58/48/168375848.db2.gz URXQFSQXWBCBHS-RXMQYKEDSA-N 1 1 169.228 1.387 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(CC(C)(C)C)o1 50284259 168375922 /nfs/dbraw/zinc/37/59/22/168375922.db2.gz SIJJHQCPTCMXGB-ZCFIWIBFSA-N 1 1 183.255 1.678 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2ccccn2)o1 11586063 168375928 /nfs/dbraw/zinc/37/59/28/168375928.db2.gz HWODOHPBDLKGFP-ZCFIWIBFSA-N 1 1 190.206 1.151 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2cscn2)o1 62362090 168376015 /nfs/dbraw/zinc/37/60/15/168376015.db2.gz MVYHABWARJGELN-SCSAIBSYSA-N 1 1 196.235 1.213 10 0 ADAEMO C[C@@H]([NH2+]C1CCC1)[C@H]1CCC[N@@H+](C)C1 52207867 168378256 /nfs/dbraw/zinc/37/82/56/168378256.db2.gz URFIPCTWWHZPCJ-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]([NH2+]C1CCC1)[C@H]1CCCN(C)C1 52207867 168378258 /nfs/dbraw/zinc/37/82/58/168378258.db2.gz URFIPCTWWHZPCJ-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]([NH2+]C1CC1)[C@H]1CCCN(C)C1 37208373 168378745 /nfs/dbraw/zinc/37/87/45/168378745.db2.gz VFFNMYXYVIFQCF-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]([NH2+]C1CC1)[C@@H]1CCCN(C)C1 37208371 168379164 /nfs/dbraw/zinc/37/91/64/168379164.db2.gz VFFNMYXYVIFQCF-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccco1 37116292 168379535 /nfs/dbraw/zinc/37/95/35/168379535.db2.gz UAMBMOSBLGQYRO-MRVPVSSYSA-N 1 1 196.250 1.018 10 0 ADAEMO C[C@@H]([NH2+]CC(=O)OC(C)(C)C)C1CC1 37394413 168379863 /nfs/dbraw/zinc/37/98/63/168379863.db2.gz CCSBINXPWPXXHI-MRVPVSSYSA-N 1 1 199.294 1.716 10 0 ADAEMO C[C@@H](NC1CC[NH2+]CC1)c1ccc[nH]1 95068329 168379949 /nfs/dbraw/zinc/37/99/49/168379949.db2.gz SSKQIOGFADRXQF-SECBINFHSA-N 1 1 193.294 1.417 10 0 ADAEMO C[C@@H]([NH2+]C1CCC1)[C@@H]1CCCN(C)C1 52207861 168379987 /nfs/dbraw/zinc/37/99/87/168379987.db2.gz URFIPCTWWHZPCJ-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H](NCCC[NH3+])c1cccc(F)c1 37713382 168380930 /nfs/dbraw/zinc/38/09/30/168380930.db2.gz MYNFBVGJUCCRLX-SECBINFHSA-N 1 1 196.269 1.825 10 0 in-vitro ADAEMO C[C@@H](NCCC[NH3+])c1ccccc1F 37713211 168381191 /nfs/dbraw/zinc/38/11/91/168381191.db2.gz QPIQWKXIIOFKPD-SECBINFHSA-N 1 1 196.269 1.825 10 0 ADAEMO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C)C1 37208771 168381252 /nfs/dbraw/zinc/38/12/52/168381252.db2.gz ZPAFMDFORMQPEU-ZYHUDNBSSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H](NCCC[NH3+])c1cccnc1 37713200 168381337 /nfs/dbraw/zinc/38/13/37/168381337.db2.gz JTBZQYNIJDXMEN-SECBINFHSA-N 1 1 179.267 1.081 10 0 ADAEMO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C)C1 37208773 168381778 /nfs/dbraw/zinc/38/17/78/168381778.db2.gz ZPAFMDFORMQPEU-PWSUYJOCSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H](NCCC[NH3+])c1ccsc1 50343598 168381997 /nfs/dbraw/zinc/38/19/97/168381997.db2.gz SUNXDQGRAIWFQU-MRVPVSSYSA-N 1 1 184.308 1.748 10 0 ADAEMO C[C@@H](NCCC[NH3+])c1ccncc1 37713198 168382034 /nfs/dbraw/zinc/38/20/34/168382034.db2.gz WYZRPHUTAWHOAY-SECBINFHSA-N 1 1 179.267 1.081 10 0 ADAEMO C[C@@H](NCCC[NH3+])c1ccccn1 37713196 168382049 /nfs/dbraw/zinc/38/20/49/168382049.db2.gz ZJTFKZQSOVMBBU-SECBINFHSA-N 1 1 179.267 1.081 10 0 ADAEMO C[C@@H]([NH2+]CCN)c1ccc(O)cc1 37712353 168382127 /nfs/dbraw/zinc/38/21/27/168382127.db2.gz NUAMSLNGCJHFEU-MRVPVSSYSA-N 1 1 180.251 1.002 10 0 ADAEMO C[C@@H](NC[C@@H]1CC[NH2+]C1)c1ccc[nH]1 95068377 168382938 /nfs/dbraw/zinc/38/29/38/168382938.db2.gz USJRGVZOAOCZRY-NXEZZACHSA-N 1 1 193.294 1.275 10 0 ADAEMO C[C@@H]([NH2+]Cc1ccn[nH]1)C1(C)CC1 41014913 168383071 /nfs/dbraw/zinc/38/30/71/168383071.db2.gz PBOJLWYHFJLGFN-MRVPVSSYSA-N 1 1 179.267 1.688 10 0 ADAEMO C[C@@H]([NH2+]C[C@@H]1CCN(C)C1)C1(C)CC1 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/nfs/dbraw/zinc/82/71/28/168827128.db2.gz UYKUQOXGUNNULR-MRVPVSSYSA-N 1 1 166.224 1.183 10 0 ADAEMO Cc1ccc([C@@H](O)Cc2[nH]cc[nH+]2)o1 40261610 168836894 /nfs/dbraw/zinc/83/68/94/168836894.db2.gz UURYKAAQNBHRRE-QMMMGPOBSA-N 1 1 192.218 1.587 10 0 ADAEMO Cc1ccc([C@H]([NH3+])c2ncon2)cc1 36762077 168842926 /nfs/dbraw/zinc/84/29/26/168842926.db2.gz OLMVUNNUXOKIKE-VIFPVBQESA-N 1 1 189.218 1.426 10 0 ADAEMO Cc1ccc2c(c1)CNC[C@H]2C[NH3+] 58519000 168848009 /nfs/dbraw/zinc/84/80/09/168848009.db2.gz RUEOYEKUNWTCFE-SNVBAGLBSA-N 1 1 176.263 1.141 10 0 ADAEMO Cc1ccc2cc(C(=O)C[NH3+])oc2c1 20389927 168852713 /nfs/dbraw/zinc/85/27/13/168852713.db2.gz IHLZHTBDALFJSR-UHFFFAOYSA-N 1 1 189.214 1.883 10 0 ADAEMO Cc1ccc2nc([C@@H]([NH3+])CO)oc2c1 35279146 168856487 /nfs/dbraw/zinc/85/64/87/168856487.db2.gz APESMPNHGWQLHG-ZETCQYMHSA-N 1 1 192.218 1.128 10 0 ADAEMO Cc1cccc(C[C@@H]2CNCC[NH2+]2)c1 71500879 168866077 /nfs/dbraw/zinc/86/60/77/168866077.db2.gz RBJVOJBOYPZNSW-GFCCVEGCSA-N 1 1 190.290 1.099 10 0 ADAEMO Cc1cccc(C[NH2+]CCN)c1C 44418691 168866641 /nfs/dbraw/zinc/86/66/41/168866641.db2.gz HFPMGPAENYKEMN-UHFFFAOYSA-N 1 1 178.279 1.352 10 0 ADAEMO Cc1cccc(N(C)[C@@H](C)CO)[nH+]1 124562803 168867540 /nfs/dbraw/zinc/86/75/40/168867540.db2.gz HVDKNJOTIBIJGD-VIFPVBQESA-N 1 1 180.251 1.207 10 0 ADAEMO Cc1cccc(NC(C)(C)C(N)=O)[nH+]1 40675358 168869758 /nfs/dbraw/zinc/86/97/58/168869758.db2.gz CUIRCHAQHZIVPP-UHFFFAOYSA-N 1 1 193.250 1.066 10 0 ADAEMO Cc1cccc(NC2CC2)[nH+]1 37670485 168869879 /nfs/dbraw/zinc/86/98/79/168869879.db2.gz UZQBAAWUEDTHDL-UHFFFAOYSA-N 1 1 148.209 1.964 10 0 ADAEMO Cc1cccc([C@H]2COCC[NH2+]2)n1 82870519 168875567 /nfs/dbraw/zinc/87/55/67/168875567.db2.gz LFPRNCMMCJNAPI-SNVBAGLBSA-N 1 1 178.235 1.051 10 0 ADAEMO Cc1cccc2c1[C@@H](C[NH3+])CNC2 58519004 168879503 /nfs/dbraw/zinc/87/95/03/168879503.db2.gz ZKLBKTLNINWEJP-JTQLQIEISA-N 1 1 176.263 1.141 10 0 ADAEMO Cc1cccc2nc(C[NH3+])oc12 62498500 168881997 /nfs/dbraw/zinc/88/19/97/168881997.db2.gz RGWMZOHIMDYNJX-UHFFFAOYSA-N 1 1 162.192 1.595 10 0 ADAEMO Cc1ccc[nH+]c1N[C@H](C)CO 51040912 168885839 /nfs/dbraw/zinc/88/58/39/168885839.db2.gz MBHYDUNOJSKORE-MRVPVSSYSA-N 1 1 166.224 1.183 10 0 ADAEMO Cc1cccnc1[C@H]1COCC[NH2+]1 83272860 168886678 /nfs/dbraw/zinc/88/66/78/168886678.db2.gz JGVRPGWZPAPHBW-SECBINFHSA-N 1 1 178.235 1.051 10 0 ADAEMO Cc1cc[nH+]c(N[C@H]2CO[C@H](C)C2)c1 335441255 168889235 /nfs/dbraw/zinc/88/92/35/168889235.db2.gz RSLFRCUIGRQBIV-NXEZZACHSA-N 1 1 192.262 1.979 10 0 ADAEMO Cc1ccoc1-c1nnc(C[NH3+])o1 50273202 168893163 /nfs/dbraw/zinc/89/31/63/168893163.db2.gz BNRSLMOHWFNDHK-UHFFFAOYSA-N 1 1 179.179 1.097 10 0 ADAEMO Cc1cn2c([nH+]1)CCC2 26507005 168898378 /nfs/dbraw/zinc/89/83/78/168898378.db2.gz FFEUHXDQNGETPU-UHFFFAOYSA-N 1 1 122.171 1.138 10 0 ADAEMO Cc1cn2ccc(C)c(N)c2[nH+]1 36243629 168899028 /nfs/dbraw/zinc/89/90/28/168899028.db2.gz IGCUNLURRWBHJE-UHFFFAOYSA-N 1 1 161.208 1.533 10 0 ADAEMO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H]2C)cn1 334271559 168902732 /nfs/dbraw/zinc/90/27/32/168902732.db2.gz VIRRUDMTXWCZQX-PSASIEDQSA-N 1 1 191.278 1.625 10 0 ADAEMO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H]2C)cn1 334271559 168902733 /nfs/dbraw/zinc/90/27/33/168902733.db2.gz VIRRUDMTXWCZQX-PSASIEDQSA-N 1 1 191.278 1.625 10 0 ADAEMO Cc1c[nH+]c(N)c(OC2CC2)c1 95724459 168905401 /nfs/dbraw/zinc/90/54/01/168905401.db2.gz AUFZATVBLDTWIT-UHFFFAOYSA-N 1 1 164.208 1.513 10 0 ADAEMO Cc1c[nH+]c2cc(CO)ccn12 36274036 168909221 /nfs/dbraw/zinc/90/92/21/168909221.db2.gz UDTMLOSRAKXKON-UHFFFAOYSA-N 1 1 162.192 1.135 10 0 ADAEMO Cc1[nH]ncc1C[NH2+][C@H]1CC[C@@H]1C 306392437 168929039 /nfs/dbraw/zinc/92/90/39/168929039.db2.gz GINMLONJBMHJNX-XVKPBYJWSA-N 1 1 179.267 1.606 10 0 ADAEMO C[C@@H](N)[C@@H]([N@@H+](C)C1CC1)C(C)(C)C 43292112 168365501 /nfs/dbraw/zinc/36/55/01/168365501.db2.gz FCTKZFFSLWGQKT-PSASIEDQSA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](N(C)C1CC1)C(C)(C)C 43292112 168365503 /nfs/dbraw/zinc/36/55/03/168365503.db2.gz FCTKZFFSLWGQKT-PSASIEDQSA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@@H](N)[C@@H](c1ccco1)[NH+]1CCCC1 43334302 168365517 /nfs/dbraw/zinc/36/55/17/168365517.db2.gz XOSGLXCTPCVESS-KOLCDFICSA-N 1 1 194.278 1.764 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C)N1CCC(C)(C)CC1 61819473 168365672 /nfs/dbraw/zinc/36/56/72/168365672.db2.gz JILJVENCLCLHME-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H](N)[C@@H](C)[NH2+]C1CCCC1 306986595 168365688 /nfs/dbraw/zinc/36/56/88/168365688.db2.gz PBMHFTFZKCZQJT-HTQZYQBOSA-N 1 1 156.273 1.254 10 0 ADAEMO Cc1nc(C[NH2+]C(C)(C)CO)oc1C 37909384 168942007 /nfs/dbraw/zinc/94/20/07/168942007.db2.gz ZMRKDCLUDQWMGV-UHFFFAOYSA-N 1 1 198.266 1.152 10 0 ADAEMO Cc1nc([C@H](C)[NH3+])oc1C 82410253 168950328 /nfs/dbraw/zinc/95/03/28/168950328.db2.gz IGLVMXLDRAHELY-BYPYZUCNSA-N 1 1 140.186 1.311 10 0 ADAEMO Cc1nnc([C@H](C)[NH+]2CCCC2)[nH]1 334804499 168951822 /nfs/dbraw/zinc/95/18/22/168951822.db2.gz BCHDIBFBFNYMIG-ZETCQYMHSA-N 1 1 180.255 1.270 10 0 ADAEMO Cc1ncc([C@H](C)CC[NH3+])n1C 82856042 168967752 /nfs/dbraw/zinc/96/77/52/168967752.db2.gz MLMQZZRVYMGWOZ-SSDOTTSWSA-N 1 1 167.256 1.181 10 0 ADAEMO Cc1ncccc1[C@@H]1COCC[NH2+]1 83272857 168972503 /nfs/dbraw/zinc/97/25/03/168972503.db2.gz MSYDNSXPIFMKHI-JTQLQIEISA-N 1 1 178.235 1.051 10 0 ADAEMO Cc1nccn1CC[N@@H+]1C[C@@H](C)[C@H]1C 335931094 168973544 /nfs/dbraw/zinc/97/35/44/168973544.db2.gz VLNUPYGTUAUUHK-NXEZZACHSA-N 1 1 193.294 1.532 10 0 ADAEMO Cc1[nH+]ccn1[C@H]1CCC[C@@H]1O 37694414 168975756 /nfs/dbraw/zinc/97/57/56/168975756.db2.gz MXQFZSFABGSOKB-IUCAKERBSA-N 1 1 166.224 1.277 10 0 ADAEMO Cc1[nH+]ccn1[C@H](C)C(N)=S 43514796 168976327 /nfs/dbraw/zinc/97/63/27/168976327.db2.gz INEVIKFVZVPWCW-RXMQYKEDSA-N 1 1 169.253 1.039 10 0 ADAEMO Cc1nc(CC[C@H]2CCCC[NH2+]2)n[nH]1 50929582 168989328 /nfs/dbraw/zinc/98/93/28/168989328.db2.gz HVSBQLSSNSBFEV-SECBINFHSA-N 1 1 194.282 1.188 10 0 ADAEMO Cc1nnc([C@@H](C)[NH+]2CCCCC2)o1 336360802 168993720 /nfs/dbraw/zinc/99/37/20/168993720.db2.gz DTNWKNQJJGNXBK-MRVPVSSYSA-N 1 1 195.266 1.925 10 0 ADAEMO Cc1noc([C@@H]2CCC[N@@H+]2C2CC2)n1 334314153 169000254 /nfs/dbraw/zinc/00/02/54/169000254.db2.gz OSIHBTFQDBJZAF-VIFPVBQESA-N 1 1 193.250 1.677 10 0 ADAEMO Cc1noc([C@@H]2CCC[N@H+]2C2CC2)n1 334314153 169000256 /nfs/dbraw/zinc/00/02/56/169000256.db2.gz OSIHBTFQDBJZAF-VIFPVBQESA-N 1 1 193.250 1.677 10 0 ADAEMO Cc1noc([C@@H]([NH3+])C(C)(C)C)n1 35411465 169000501 /nfs/dbraw/zinc/00/05/01/169000501.db2.gz DFMAZPXINLXJGS-ZCFIWIBFSA-N 1 1 169.228 1.424 10 0 ADAEMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H]2C)n1 335294429 169000520 /nfs/dbraw/zinc/00/05/20/169000520.db2.gz AEJMNERJAWXMMN-JGVFFNPUSA-N 1 1 195.266 1.608 10 0 ADAEMO Cc1noc([C@@H]([NH3+])CC(C)C)n1 20566953 169000657 /nfs/dbraw/zinc/00/06/57/169000657.db2.gz ARQJEOFHXMSLER-ZETCQYMHSA-N 1 1 169.228 1.424 10 0 ADAEMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H]2C)n1 335294434 169001185 /nfs/dbraw/zinc/00/11/85/169001185.db2.gz AEJMNERJAWXMMN-YUMQZZPRSA-N 1 1 195.266 1.608 10 0 ADAEMO Cc1noc([C@@H]2CCC[N@H+](C)C2)n1 26637488 169001265 /nfs/dbraw/zinc/00/12/65/169001265.db2.gz SFVPLZFEKXTVKA-MRVPVSSYSA-N 1 1 181.239 1.187 10 0 ADAEMO Cc1noc(C[NH2+]C2CCC2)n1 44481847 169001792 /nfs/dbraw/zinc/00/17/92/169001792.db2.gz ZSFOGBHJZRSELK-UHFFFAOYSA-N 1 1 167.212 1.020 10 0 ADAEMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)n1 335294432 169001883 /nfs/dbraw/zinc/00/18/83/169001883.db2.gz AEJMNERJAWXMMN-SFYZADRCSA-N 1 1 195.266 1.608 10 0 ADAEMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@H]2C)n1 335294420 169002201 /nfs/dbraw/zinc/00/22/01/169002201.db2.gz AEJMNERJAWXMMN-HTQZYQBOSA-N 1 1 195.266 1.608 10 0 ADAEMO Cc1noc([C@]2(C)CCCC[NH2+]2)n1 127574150 169002540 /nfs/dbraw/zinc/00/25/40/169002540.db2.gz IXMWFOWBJMICRV-VIFPVBQESA-N 1 1 181.239 1.367 10 0 ADAEMO Cc1noc([C@@]2(C)CCCC[NH2+]2)n1 127574374 169002682 /nfs/dbraw/zinc/00/26/82/169002682.db2.gz IXMWFOWBJMICRV-SECBINFHSA-N 1 1 181.239 1.367 10 0 ADAEMO Cc1noc([C@H]([NH3+])C(C)(C)C)n1 35411464 169003168 /nfs/dbraw/zinc/00/31/68/169003168.db2.gz DFMAZPXINLXJGS-LURJTMIESA-N 1 1 169.228 1.424 10 0 ADAEMO Cc1noc([C@H]([NH3+])CC(C)C)n1 20566951 169003674 /nfs/dbraw/zinc/00/36/74/169003674.db2.gz ARQJEOFHXMSLER-SSDOTTSWSA-N 1 1 169.228 1.424 10 0 ADAEMO Cc1noc([C@H]2CCC[N@@H+]2C2CC2)n1 334314152 169003893 /nfs/dbraw/zinc/00/38/93/169003893.db2.gz OSIHBTFQDBJZAF-SECBINFHSA-N 1 1 193.250 1.677 10 0 ADAEMO Cc1noc([C@H]2CCC[N@H+]2C2CC2)n1 334314152 169003896 /nfs/dbraw/zinc/00/38/96/169003896.db2.gz OSIHBTFQDBJZAF-SECBINFHSA-N 1 1 193.250 1.677 10 0 ADAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC1(N)CC1 136248210 343978050 /nfs/dbraw/zinc/97/80/50/343978050.db2.gz KPHWHFJKOKOPOY-NXEZZACHSA-N 1 1 182.311 1.741 10 0 ADAEMO Cc1nocc1C[N@H+]1CC[C@@H]1C1CC1 336216393 169004414 /nfs/dbraw/zinc/00/44/14/169004414.db2.gz YCJJVPLXMDMTBP-LLVKDONJSA-N 1 1 192.262 1.967 10 0 ADAEMO Cc1nocc1C[N@@H+]1CC[C@H](C)C1 335796659 169004473 /nfs/dbraw/zinc/00/44/73/169004473.db2.gz RFTFSXREFCNUAX-QMMMGPOBSA-N 1 1 180.251 1.825 10 0 ADAEMO Cc1nocc1C[N@@H+]1CCCOCC1 334322800 169004727 /nfs/dbraw/zinc/00/47/27/169004727.db2.gz JDJCOTXAOOUHAJ-UHFFFAOYSA-N 1 1 196.250 1.205 10 0 ADAEMO Cc1nocc1C[N@H+]1CCCOCC1 334322800 169004729 /nfs/dbraw/zinc/00/47/29/169004729.db2.gz JDJCOTXAOOUHAJ-UHFFFAOYSA-N 1 1 196.250 1.205 10 0 ADAEMO Cc1nocc1C[N@H+](C)C(C)C 335941251 169004800 /nfs/dbraw/zinc/00/48/00/169004800.db2.gz GTZNJGTWTNMDCW-UHFFFAOYSA-N 1 1 168.240 1.823 10 0 ADAEMO Cc1nocc1C[N@@H+]1CCC[C@H]1C 334296985 169005219 /nfs/dbraw/zinc/00/52/19/169005219.db2.gz ADHCAOBTUPRLDL-MRVPVSSYSA-N 1 1 180.251 1.967 10 0 ADAEMO Cc1nocc1C[N@@H+]1CCC[C@@H]1C 334296988 169005266 /nfs/dbraw/zinc/00/52/66/169005266.db2.gz ADHCAOBTUPRLDL-QMMMGPOBSA-N 1 1 180.251 1.967 10 0 ADAEMO Cc1nocc1C[N@@H+]1CC[C@@H](C)C1 335796658 169005297 /nfs/dbraw/zinc/00/52/97/169005297.db2.gz RFTFSXREFCNUAX-MRVPVSSYSA-N 1 1 180.251 1.825 10 0 ADAEMO Cc1nocc1C[NH+]1CCSCC1 334279475 169005469 /nfs/dbraw/zinc/00/54/69/169005469.db2.gz VJKATSUPUIMANM-UHFFFAOYSA-N 1 1 198.291 1.532 10 0 ADAEMO Cc1nocc1C[N@H+]1CC[C@H]1C1CC1 336216394 169005935 /nfs/dbraw/zinc/00/59/35/169005935.db2.gz YCJJVPLXMDMTBP-NSHDSACASA-N 1 1 192.262 1.967 10 0 ADAEMO Cc1nsc([C@@H]2CC[N@H+](C)C2)n1 26181135 169007566 /nfs/dbraw/zinc/00/75/66/169007566.db2.gz BCGHNIYMRAXWBB-SSDOTTSWSA-N 1 1 183.280 1.266 10 0 ADAEMO Cc1nsc([C@H]2CC[N@H+](C)C2)n1 26181140 169007711 /nfs/dbraw/zinc/00/77/11/169007711.db2.gz BCGHNIYMRAXWBB-ZETCQYMHSA-N 1 1 183.280 1.266 10 0 ADAEMO Cc1oc(CN(C)C2CC2)cc1C[NH3+] 52445331 169008601 /nfs/dbraw/zinc/00/86/01/169008601.db2.gz ASXFXRKKFWVMML-UHFFFAOYSA-N 1 1 194.278 1.641 10 0 ADAEMO Cc1oc(CN)cc1C[N@@H+](C)C(C)C 52419616 169008678 /nfs/dbraw/zinc/00/86/78/169008678.db2.gz RMTCYQVFJXKLRU-UHFFFAOYSA-N 1 1 196.294 1.887 10 0 ADAEMO Cc1oc(CN)cc1C[N@H+](C)C(C)C 52419616 169008681 /nfs/dbraw/zinc/00/86/81/169008681.db2.gz RMTCYQVFJXKLRU-UHFFFAOYSA-N 1 1 196.294 1.887 10 0 ADAEMO Cc1oc(C[NH3+])nc1-c1ccn(C)c1 71505737 169008924 /nfs/dbraw/zinc/00/89/24/169008924.db2.gz GXCQYAMIQQORQL-UHFFFAOYSA-N 1 1 191.234 1.447 10 0 ADAEMO Cc1oc2c(c1C)CC[N@H+](C)C2 39082068 169008952 /nfs/dbraw/zinc/00/89/52/169008952.db2.gz MKGDOKBUXMLUEE-UHFFFAOYSA-N 1 1 165.236 1.884 10 0 ADAEMO Cc1oc(CN)cc1C[NH+]1CCCC1 52377452 169008983 /nfs/dbraw/zinc/00/89/83/169008983.db2.gz DLERVVFMSDDMOK-UHFFFAOYSA-N 1 1 194.278 1.643 10 0 ADAEMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(C)(C)N 136236693 343978066 /nfs/dbraw/zinc/97/80/66/343978066.db2.gz APFYINZPZSZVRJ-VHSXEESVSA-N 1 1 184.327 1.987 10 0 ADAEMO Cc1oc(C[NH3+])nc1-c1cc[nH]c1 71497185 169009124 /nfs/dbraw/zinc/00/91/24/169009124.db2.gz MOQBMKAELZIGCV-UHFFFAOYSA-N 1 1 177.207 1.437 10 0 ADAEMO Cc1oc(C[NH3+])nc1C(C)C 19726751 169009193 /nfs/dbraw/zinc/00/91/93/169009193.db2.gz FWEDLXSTYKPLPK-UHFFFAOYSA-N 1 1 154.213 1.565 10 0 ADAEMO Cc1occc1-c1nnc([C@H](C)[NH3+])o1 50284103 169009467 /nfs/dbraw/zinc/00/94/67/169009467.db2.gz YMCOOIWBOBWQFE-YFKPBYRVSA-N 1 1 193.206 1.658 10 0 ADAEMO Cc1oc(CN)cc1C[N@@H+](C)C1CC1 52445424 169009530 /nfs/dbraw/zinc/00/95/30/169009530.db2.gz YADYFBMGGCXCPD-UHFFFAOYSA-N 1 1 194.278 1.641 10 0 ADAEMO Cc1oc(CN)cc1C[N@H+](C)C1CC1 52445424 169009532 /nfs/dbraw/zinc/00/95/32/169009532.db2.gz YADYFBMGGCXCPD-UHFFFAOYSA-N 1 1 194.278 1.641 10 0 ADAEMO Cc1occc1-c1nnc(C[NH3+])o1 50273198 169009562 /nfs/dbraw/zinc/00/95/62/169009562.db2.gz TXTNXKOBQPHOIB-UHFFFAOYSA-N 1 1 179.179 1.097 10 0 ADAEMO Cc1occc1-c1nnc([C@@H](C)[NH3+])o1 50284102 169009777 /nfs/dbraw/zinc/00/97/77/169009777.db2.gz YMCOOIWBOBWQFE-RXMQYKEDSA-N 1 1 193.206 1.658 10 0 ADAEMO Cc1oc(CN(C)C)cc1C[NH3+] 52422712 169010094 /nfs/dbraw/zinc/01/00/94/169010094.db2.gz OABLZLPEPLFPKZ-UHFFFAOYSA-N 1 1 168.240 1.108 10 0 ADAEMO Cc1occc1C[N@@H+](C)CC(N)=S 42449535 169010758 /nfs/dbraw/zinc/01/07/58/169010758.db2.gz PBUZNCSSONGBMZ-UHFFFAOYSA-N 1 1 198.291 1.306 10 0 ADAEMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(C)(C)N 136236767 343978072 /nfs/dbraw/zinc/97/80/72/343978072.db2.gz APFYINZPZSZVRJ-ZJUUUORDSA-N 1 1 184.327 1.987 10 0 ADAEMO Cc1occc1[C@H]([NH3+])c1nccn1C 41048272 169011121 /nfs/dbraw/zinc/01/11/21/169011121.db2.gz CJROBKZQDZMATI-VIFPVBQESA-N 1 1 191.234 1.370 10 0 ADAEMO Cc1occc1C[NH+]1CC(C)(CO)C1 334845668 169011369 /nfs/dbraw/zinc/01/13/69/169011369.db2.gz UGNPIJNHFFSJOD-UHFFFAOYSA-N 1 1 195.262 1.402 10 0 ADAEMO Cc1occc1[C@@H]([NH3+])c1nccn1C 41048273 169011525 /nfs/dbraw/zinc/01/15/25/169011525.db2.gz CJROBKZQDZMATI-SECBINFHSA-N 1 1 191.234 1.370 10 0 ADAEMO Cc1occc1[C@@H](O)Cc1[nH]cc[nH+]1 40261588 169012013 /nfs/dbraw/zinc/01/20/13/169012013.db2.gz ILNDVKWBLYIJKY-VIFPVBQESA-N 1 1 192.218 1.587 10 0 ADAEMO Cc1occc1[C@H](O)Cc1[nH]cc[nH+]1 40261587 169012095 /nfs/dbraw/zinc/01/20/95/169012095.db2.gz ILNDVKWBLYIJKY-SECBINFHSA-N 1 1 192.218 1.587 10 0 ADAEMO Cc1oncc1-c1nnc([C@H](C)[NH3+])o1 50284115 169012718 /nfs/dbraw/zinc/01/27/18/169012718.db2.gz GUKWLCCTXZHKHU-BYPYZUCNSA-N 1 1 194.194 1.053 10 0 ADAEMO CC[C@H]1CC[C@H](C)[N@H+]1CC(C)(C)N 136236718 343978083 /nfs/dbraw/zinc/97/80/83/343978083.db2.gz APFYINZPZSZVRJ-UWVGGRQHSA-N 1 1 184.327 1.987 10 0 ADAEMO Cc1oncc1-c1nnc([C@@H](C)[NH3+])o1 50284114 169014003 /nfs/dbraw/zinc/01/40/03/169014003.db2.gz GUKWLCCTXZHKHU-SCSAIBSYSA-N 1 1 194.194 1.053 10 0 ADAEMO Cc1sc(C=O)cc1C[NH+](C)C 82393836 169014457 /nfs/dbraw/zinc/01/44/57/169014457.db2.gz NZFJKUWBQYYEBE-UHFFFAOYSA-N 1 1 183.276 1.931 10 0 ADAEMO CC[C@H]1CC[C@@H](C)[N@H+]1CC1(N)CC1 136248240 343978089 /nfs/dbraw/zinc/97/80/89/343978089.db2.gz KPHWHFJKOKOPOY-ZJUUUORDSA-N 1 1 182.311 1.741 10 0 ADAEMO Cc1s[nH]c(=O)c1[C@@H]1CCCC[NH2+]1 82384288 169016017 /nfs/dbraw/zinc/01/60/17/169016017.db2.gz VTZXCWRMURQHTP-ZETCQYMHSA-N 1 1 198.291 1.972 10 0 ADAEMO Cc1s[nH]c(=O)c1[C@H]1CCCC[NH2+]1 82384289 169016630 /nfs/dbraw/zinc/01/66/30/169016630.db2.gz VTZXCWRMURQHTP-SSDOTTSWSA-N 1 1 198.291 1.972 10 0 ADAEMO CC[C@@H]1CC[C@H](C)[N@H+]1CC1(N)CC1 136248122 343978096 /nfs/dbraw/zinc/97/80/96/343978096.db2.gz KPHWHFJKOKOPOY-VHSXEESVSA-N 1 1 182.311 1.741 10 0 ADAEMO CC[C@H]1CC[C@H](C)[N@H+]1CC1(N)CC1 136248166 343978100 /nfs/dbraw/zinc/97/81/00/343978100.db2.gz KPHWHFJKOKOPOY-UWVGGRQHSA-N 1 1 182.311 1.741 10 0 ADAEMO ClN(Cl)CCc1[nH]cc[nH+]1 95777175 169020064 /nfs/dbraw/zinc/02/00/64/169020064.db2.gz JXBUDBSSNMACQI-UHFFFAOYSA-N 1 1 180.038 1.562 10 0 ADAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(C)(C)N 136236740 343978136 /nfs/dbraw/zinc/97/81/36/343978136.db2.gz APFYINZPZSZVRJ-NXEZZACHSA-N 1 1 184.327 1.987 10 0 ADAEMO Clc1cc([C@H]2COCC[NH2+]2)ccn1 83282950 169021873 /nfs/dbraw/zinc/02/18/73/169021873.db2.gz JCFZGCPMKHXRFE-MRVPVSSYSA-N 1 1 198.653 1.396 10 0 ADAEMO Clc1cc([C@@H]2COCC[NH2+]2)ccn1 83282949 169022454 /nfs/dbraw/zinc/02/24/54/169022454.db2.gz JCFZGCPMKHXRFE-QMMMGPOBSA-N 1 1 198.653 1.396 10 0 ADAEMO Clc1cc(C[NH+]2CCCC2)ncn1 26510553 169022493 /nfs/dbraw/zinc/02/24/93/169022493.db2.gz HWNLGZYFUNUKQX-UHFFFAOYSA-N 1 1 197.669 1.726 10 0 ADAEMO Clc1ccccc1[C@H]1[NH2+]CCO1 49805877 169024432 /nfs/dbraw/zinc/02/44/32/169024432.db2.gz UOQYLKLVYVXKMI-VIFPVBQESA-N 1 1 183.638 1.958 10 0 ADAEMO Clc1ccccc1[C@@H]1[NH2+]CCO1 49805876 169025374 /nfs/dbraw/zinc/02/53/74/169025374.db2.gz UOQYLKLVYVXKMI-SECBINFHSA-N 1 1 183.638 1.958 10 0 ADAEMO Clc1c[nH+]cc2c1NCCN2 299890396 169026044 /nfs/dbraw/zinc/02/60/44/169026044.db2.gz YYDKNFOOCBJPLY-UHFFFAOYSA-N 1 1 169.615 1.572 10 0 ADAEMO Cn1c(NCCF)[nH+]c2ccccc21 306755062 169035425 /nfs/dbraw/zinc/03/54/25/169035425.db2.gz OPQNGQOPWVFTEX-UHFFFAOYSA-N 1 1 193.225 1.955 10 0 ADAEMO Cn1cc(C(=O)C[NH3+])c2ccccc21 41204161 169035872 /nfs/dbraw/zinc/03/58/72/169035872.db2.gz ZEWPWEIAWVNJCD-UHFFFAOYSA-N 1 1 188.230 1.320 10 0 ADAEMO Cn1cc(C[N@H+]2CCC23CCC3)cn1 336486025 169038030 /nfs/dbraw/zinc/03/80/30/169038030.db2.gz ACZFRZWXIJQINR-UHFFFAOYSA-N 1 1 191.278 1.549 10 0 ADAEMO Cn1cc(C[N@H+]2CCCC2(C)C)cn1 336555537 169038068 /nfs/dbraw/zinc/03/80/68/169038068.db2.gz ZTXGAJFLMJFIKE-UHFFFAOYSA-N 1 1 193.294 1.795 10 0 ADAEMO Cn1cc(C[N@H+]2CCCC2(C)C)nn1 334140844 169038777 /nfs/dbraw/zinc/03/87/77/169038777.db2.gz IHRHZZYLLBJLRD-UHFFFAOYSA-N 1 1 194.282 1.190 10 0 ADAEMO Cn1cc(C[N@H+]2CC[C@H]2C2CC2)cn1 336215537 169038817 /nfs/dbraw/zinc/03/88/17/169038817.db2.gz VEIMVXFXORFGGS-NSHDSACASA-N 1 1 191.278 1.404 10 0 ADAEMO Cn1cc(C[N@H+]2CC[C@@H]2C2CC2)cn1 336215536 169038910 /nfs/dbraw/zinc/03/89/10/169038910.db2.gz VEIMVXFXORFGGS-LLVKDONJSA-N 1 1 191.278 1.404 10 0 ADAEMO Cn1cc([C@@H]([NH3+])c2ccco2)cn1 35381527 169041614 /nfs/dbraw/zinc/04/16/14/169041614.db2.gz DFNHKBSFJRKIHP-SECBINFHSA-N 1 1 177.207 1.061 10 0 ADAEMO Cn1cc([C@H]([NH3+])c2ccco2)cn1 35381525 169042109 /nfs/dbraw/zinc/04/21/09/169042109.db2.gz DFNHKBSFJRKIHP-VIFPVBQESA-N 1 1 177.207 1.061 10 0 ADAEMO Cn1ccc(-c2coc(C[NH3+])n2)c1 71497175 169043516 /nfs/dbraw/zinc/04/35/16/169043516.db2.gz AIIRIZVIINVNOY-UHFFFAOYSA-N 1 1 177.207 1.139 10 0 ADAEMO Cn1ccc(-c2cnc(C[NH3+])o2)c1 71497178 169043933 /nfs/dbraw/zinc/04/39/33/169043933.db2.gz QXPNBQFVNNIOIG-UHFFFAOYSA-N 1 1 177.207 1.139 10 0 ADAEMO Cn1cc2c(c1)C[NH2+]C=C2 100228528 169043977 /nfs/dbraw/zinc/04/39/77/169043977.db2.gz ZRXCWHWFOSYHFU-UHFFFAOYSA-N 1 1 134.182 1.099 10 0 ADAEMO Cn1ccc(-c2nnc(C[NH3+])s2)c1 82530808 169044527 /nfs/dbraw/zinc/04/45/27/169044527.db2.gz SRFILCDPTRNWOZ-UHFFFAOYSA-N 1 1 194.263 1.002 10 0 ADAEMO Cn1ccc(C[N@H+]2CCCC2(C)C)n1 334309409 169045350 /nfs/dbraw/zinc/04/53/50/169045350.db2.gz MPORAJBBBUMUQQ-UHFFFAOYSA-N 1 1 193.294 1.795 10 0 ADAEMO Cn1ccc(C[N@@H+]2CCC23CCC3)n1 334307330 169045420 /nfs/dbraw/zinc/04/54/20/169045420.db2.gz JCYZHJQIKSHVJB-UHFFFAOYSA-N 1 1 191.278 1.549 10 0 ADAEMO Cn1ccc(C[N@H+]2CCC23CCC3)n1 334307330 169045421 /nfs/dbraw/zinc/04/54/21/169045421.db2.gz JCYZHJQIKSHVJB-UHFFFAOYSA-N 1 1 191.278 1.549 10 0 ADAEMO Cn1ccc(C(=O)C[NH+]2CCCC2)c1 35021151 169045502 /nfs/dbraw/zinc/04/55/02/169045502.db2.gz JCTKGMYTONYVLV-UHFFFAOYSA-N 1 1 192.262 1.304 10 0 ADAEMO Cn1ccc(C[NH2+]Cc2ccc[nH]2)n1 20351106 169045609 /nfs/dbraw/zinc/04/56/09/169045609.db2.gz KOWKLXDMNWHKAS-UHFFFAOYSA-N 1 1 190.250 1.038 10 0 ADAEMO Cn1ccc([C@@H]([NH3+])CN2CCCC2)c1 71506615 169046527 /nfs/dbraw/zinc/04/65/27/169046527.db2.gz DEVNZIMZNVTVSM-NSHDSACASA-N 1 1 193.294 1.121 10 0 ADAEMO Cn1ccc([C@H](CN)[NH+]2CCCC2)c1 71506619 169046613 /nfs/dbraw/zinc/04/66/13/169046613.db2.gz UWQILHZLVOHYSL-NSHDSACASA-N 1 1 193.294 1.121 10 0 ADAEMO Cn1ccc([C@@H](CN)[NH+]2CCCC2)c1 71506618 169046768 /nfs/dbraw/zinc/04/67/68/169046768.db2.gz UWQILHZLVOHYSL-LLVKDONJSA-N 1 1 193.294 1.121 10 0 ADAEMO Cn1ccc([C@H]([NH3+])CN2CCCC2)c1 71506614 169047138 /nfs/dbraw/zinc/04/71/38/169047138.db2.gz DEVNZIMZNVTVSM-LLVKDONJSA-N 1 1 193.294 1.121 10 0 ADAEMO Cn1ccc2cc(C(=O)C[NH3+])ccc21 82321243 169047638 /nfs/dbraw/zinc/04/76/38/169047638.db2.gz ZPUKQNJGIWVMPF-UHFFFAOYSA-N 1 1 188.230 1.320 10 0 ADAEMO Cn1ccc2cc(N)[nH+]cc21 66259917 169047655 /nfs/dbraw/zinc/04/76/55/169047655.db2.gz XPGBLTMNJKIDNL-UHFFFAOYSA-N 1 1 147.181 1.156 10 0 ADAEMO Cn1cccc1[C@@]1(C)CC(=O)CC[NH2+]1 77277135 169049236 /nfs/dbraw/zinc/04/92/36/169049236.db2.gz TVVBOVBLTJVPDS-LLVKDONJSA-N 1 1 192.262 1.193 10 0 ADAEMO Cn1cccc1[C@H]([NH3+])c1ccco1 11822526 169049729 /nfs/dbraw/zinc/04/97/29/169049729.db2.gz XINWSBJTLMDPKJ-JTQLQIEISA-N 1 1 176.219 1.666 10 0 ADAEMO Cn1cccc1[C@@H]([NH3+])c1ccco1 11822520 169049966 /nfs/dbraw/zinc/04/99/66/169049966.db2.gz XINWSBJTLMDPKJ-SNVBAGLBSA-N 1 1 176.219 1.666 10 0 ADAEMO Cn1cccc1[C@]1(C)CC(=O)CC[NH2+]1 77277138 169050048 /nfs/dbraw/zinc/05/00/48/169050048.db2.gz TVVBOVBLTJVPDS-NSHDSACASA-N 1 1 192.262 1.193 10 0 ADAEMO Cn1ccnc1C[N@@H+]1CCC12CCC2 336486129 169050755 /nfs/dbraw/zinc/05/07/55/169050755.db2.gz UNRDCQODWRZQGE-UHFFFAOYSA-N 1 1 191.278 1.549 10 0 ADAEMO Cn1ccnc1C[N@H+]1CCC12CCC2 336486129 169050757 /nfs/dbraw/zinc/05/07/57/169050757.db2.gz UNRDCQODWRZQGE-UHFFFAOYSA-N 1 1 191.278 1.549 10 0 ADAEMO Cn1cc[nH+]c1Cc1ccccc1N 82530026 169050886 /nfs/dbraw/zinc/05/08/86/169050886.db2.gz HWMUZZLDJSQSIC-UHFFFAOYSA-N 1 1 187.246 1.593 10 0 ADAEMO Cn1ccnc1C[N@H+]1CCCC1(C)C 336555507 169051547 /nfs/dbraw/zinc/05/15/47/169051547.db2.gz RUDADQAPLONMMM-UHFFFAOYSA-N 1 1 193.294 1.795 10 0 ADAEMO Cn1ccnc1C[N@H+]1CCC(C)(C)C1 336556104 169051914 /nfs/dbraw/zinc/05/19/14/169051914.db2.gz DHYQNVDNQQVKMY-UHFFFAOYSA-N 1 1 193.294 1.652 10 0 ADAEMO Cn1cc[nH+]c1C1CC1 139428203 169052128 /nfs/dbraw/zinc/05/21/28/169052128.db2.gz CVWGFCNSHOZVQS-UHFFFAOYSA-N 1 1 122.171 1.298 10 0 ADAEMO Cn1ccnc1C[N@@H+]1CC[C@@H]1C1CC1 336216089 169052293 /nfs/dbraw/zinc/05/22/93/169052293.db2.gz AQRHTDNOCOMCKL-SNVBAGLBSA-N 1 1 191.278 1.404 10 0 ADAEMO Cn1ccnc1C[N@H+]1CC[C@@H]1C1CC1 336216089 169052295 /nfs/dbraw/zinc/05/22/95/169052295.db2.gz AQRHTDNOCOMCKL-SNVBAGLBSA-N 1 1 191.278 1.404 10 0 ADAEMO Cn1cc[nH+]c1Cc1cccc(N)c1 82530029 169052373 /nfs/dbraw/zinc/05/23/73/169052373.db2.gz CMPWQIBNIHMYSU-UHFFFAOYSA-N 1 1 187.246 1.593 10 0 ADAEMO Cn1ccnc1C[N@@H+]1CC[C@H]1C1CC1 336216088 169052530 /nfs/dbraw/zinc/05/25/30/169052530.db2.gz AQRHTDNOCOMCKL-JTQLQIEISA-N 1 1 191.278 1.404 10 0 ADAEMO Cn1ccnc1C[N@H+]1CC[C@H]1C1CC1 336216088 169052531 /nfs/dbraw/zinc/05/25/31/169052531.db2.gz AQRHTDNOCOMCKL-JTQLQIEISA-N 1 1 191.278 1.404 10 0 ADAEMO Cn1cc[nH+]c1CCn1cccc1 45136619 169052902 /nfs/dbraw/zinc/05/29/02/169052902.db2.gz PFAXWFCVAFCUFB-UHFFFAOYSA-N 1 1 175.235 1.464 10 0 ADAEMO Cn1ccnc1[C@H]([NH3+])c1cccs1 11848560 169053150 /nfs/dbraw/zinc/05/31/50/169053150.db2.gz HVCFOAXRZRQYPJ-MRVPVSSYSA-N 1 1 193.275 1.530 10 0 ADAEMO Cn1ccnc1[C@@H]([NH3+])c1cccs1 11848559 169053809 /nfs/dbraw/zinc/05/38/09/169053809.db2.gz HVCFOAXRZRQYPJ-QMMMGPOBSA-N 1 1 193.275 1.530 10 0 ADAEMO Cn1ccnc1[C@H]([NH3+])c1ccoc1 41048288 169053896 /nfs/dbraw/zinc/05/38/96/169053896.db2.gz DMKQYWJRINVYKK-MRVPVSSYSA-N 1 1 177.207 1.061 10 0 ADAEMO Cn1ccnc1[C@@H]([NH3+])c1ccoc1 41048289 169053969 /nfs/dbraw/zinc/05/39/69/169053969.db2.gz DMKQYWJRINVYKK-QMMMGPOBSA-N 1 1 177.207 1.061 10 0 ADAEMO Cn1c[nH+]c(-c2cccnc2)c1N 104846749 169054017 /nfs/dbraw/zinc/05/40/17/169054017.db2.gz IVDPRTYATCTFRO-UHFFFAOYSA-N 1 1 174.207 1.064 10 0 ADAEMO Cn1ccnc1[C@@H]([NH3+])c1ccsc1 41048291 169054043 /nfs/dbraw/zinc/05/40/43/169054043.db2.gz RBJSZLLRBJYZAG-QMMMGPOBSA-N 1 1 193.275 1.530 10 0 ADAEMO Cn1ccnc1[C@H]([NH3+])c1ccsc1 41048290 169054697 /nfs/dbraw/zinc/05/46/97/169054697.db2.gz RBJSZLLRBJYZAG-MRVPVSSYSA-N 1 1 193.275 1.530 10 0 ADAEMO Cn1cncc1C[N@H+]1CC[C@@H]1C1CC1 336216190 169057346 /nfs/dbraw/zinc/05/73/46/169057346.db2.gz HZUFFBDZGDFBKD-LLVKDONJSA-N 1 1 191.278 1.404 10 0 ADAEMO Cn1cncc1C[N@H+]1CCCC1(C)C 336556122 169057412 /nfs/dbraw/zinc/05/74/12/169057412.db2.gz IVOHMJPQQUDARB-UHFFFAOYSA-N 1 1 193.294 1.795 10 0 ADAEMO Cn1cncc1C[N@H+]1CCC12CCC2 336486105 169058698 /nfs/dbraw/zinc/05/86/98/169058698.db2.gz NJUXDYDTQJYPLG-UHFFFAOYSA-N 1 1 191.278 1.549 10 0 ADAEMO Cn1cncc1C[N@H+]1CC[C@H]1C1CC1 336216191 169058851 /nfs/dbraw/zinc/05/88/51/169058851.db2.gz HZUFFBDZGDFBKD-NSHDSACASA-N 1 1 191.278 1.404 10 0 ADAEMO Cn1nc(C[NH3+])nc1-c1cccs1 82530806 169062277 /nfs/dbraw/zinc/06/22/77/169062277.db2.gz REETUMKRXWNXOG-UHFFFAOYSA-N 1 1 194.263 1.002 10 0 ADAEMO Cn1nc2c(c1C(F)(F)F)C[NH2+]C2 107233174 169063081 /nfs/dbraw/zinc/06/30/81/169063081.db2.gz XQSKUBXETVEVNG-UHFFFAOYSA-N 1 1 191.156 1.042 10 0 ADAEMO Cn1ncnc1C[N@H+]1CCCC1(C)C 336555481 169067212 /nfs/dbraw/zinc/06/72/12/169067212.db2.gz MFXVSXACDRLAPX-UHFFFAOYSA-N 1 1 194.282 1.190 10 0 ADAEMO Cn1nncc1C[N@H+]1CCCC1(C)C 335319637 169069238 /nfs/dbraw/zinc/06/92/38/169069238.db2.gz RGFXKPUPRKBFDR-UHFFFAOYSA-N 1 1 194.282 1.190 10 0 ADAEMO FC(F)(F)N[C@H]1CC[N@H+](C2CC2)C1 95076956 169071162 /nfs/dbraw/zinc/07/11/62/169071162.db2.gz LGQSAGZCAHHYAK-LURJTMIESA-N 1 1 194.200 1.333 10 0 ADAEMO FC(F)(F)CNCC[NH+]1CCCC1 49801844 169071564 /nfs/dbraw/zinc/07/15/64/169071564.db2.gz WNVIQBLACQZBMX-UHFFFAOYSA-N 1 1 196.216 1.234 10 0 ADAEMO FC(F)(F)CNC1=[NH+]CCCS1 34971986 169071698 /nfs/dbraw/zinc/07/16/98/169071698.db2.gz KSOFLEOUQKSOMV-UHFFFAOYSA-N 1 1 198.213 1.631 10 0 ADAEMO FC(F)(F)N[C@@H]1CC[N@H+](C2CC2)C1 95076952 169071708 /nfs/dbraw/zinc/07/17/08/169071708.db2.gz LGQSAGZCAHHYAK-ZCFIWIBFSA-N 1 1 194.200 1.333 10 0 ADAEMO FC(F)(F)CNC1=[NH+]CCS1 20586405 169071976 /nfs/dbraw/zinc/07/19/76/169071976.db2.gz HKYMWKIYIISYHK-UHFFFAOYSA-N 1 1 184.186 1.241 10 0 ADAEMO FC(F)(F)c1cnc2n1CC[NH2+]C2 82389834 169073029 /nfs/dbraw/zinc/07/30/29/169073029.db2.gz BYPRCNLAZNZMJN-UHFFFAOYSA-N 1 1 191.156 1.005 10 0 ADAEMO FC(F)Oc1ccc2[nH+]ccn2c1 299889086 169073748 /nfs/dbraw/zinc/07/37/48/169073748.db2.gz DFOLEHATYLFTRP-UHFFFAOYSA-N 1 1 184.145 1.936 10 0 ADAEMO FC(F)C1([NH2+]C2CCOCC2)CC1 307297840 169074009 /nfs/dbraw/zinc/07/40/09/169074009.db2.gz SVCYJFWLAKWTHT-UHFFFAOYSA-N 1 1 191.221 1.553 10 0 ADAEMO FC(F)CN[C@H]1CC[N@H+](C2CC2)C1 44721371 169074513 /nfs/dbraw/zinc/07/45/13/169074513.db2.gz QRFWUSHWUWVNAM-ZETCQYMHSA-N 1 1 190.237 1.078 10 0 ADAEMO FC(F)c1nnc(C[NH2+]C2CC2)o1 50616260 169075020 /nfs/dbraw/zinc/07/50/20/169075020.db2.gz KARLWRPXBZFALB-UHFFFAOYSA-N 1 1 189.165 1.259 10 0 ADAEMO FC1=CCC[N@@H+]([C@@H]2CCOC2)C1 335630035 169075927 /nfs/dbraw/zinc/07/59/27/169075927.db2.gz ZTKCONZZNGLDOC-SECBINFHSA-N 1 1 171.215 1.334 10 0 ADAEMO FC1=CCC[N@H+]([C@@H]2CCOC2)C1 335630035 169075928 /nfs/dbraw/zinc/07/59/28/169075928.db2.gz ZTKCONZZNGLDOC-SECBINFHSA-N 1 1 171.215 1.334 10 0 ADAEMO FC1=CCC[N@@H+]([C@H]2CCOC2)C1 335630036 169076814 /nfs/dbraw/zinc/07/68/14/169076814.db2.gz ZTKCONZZNGLDOC-VIFPVBQESA-N 1 1 171.215 1.334 10 0 ADAEMO FC1=CCC[N@H+]([C@H]2CCOC2)C1 335630036 169076816 /nfs/dbraw/zinc/07/68/16/169076816.db2.gz ZTKCONZZNGLDOC-VIFPVBQESA-N 1 1 171.215 1.334 10 0 ADAEMO FCCC[N@H+]1CCOCC12CCC2 306208170 169077412 /nfs/dbraw/zinc/07/74/12/169077412.db2.gz BCFVOECZHDPUHF-UHFFFAOYSA-N 1 1 187.258 1.601 10 0 ADAEMO FC[C@@H]1CCC[N@H+]1C[C@H]1CCOC1 306328239 169077445 /nfs/dbraw/zinc/07/74/45/169077445.db2.gz KVSNFGXRYFMZHA-ZJUUUORDSA-N 1 1 187.258 1.457 10 0 ADAEMO FC[C@H]1CCC[N@H+]1C1CCC1 306846808 169077479 /nfs/dbraw/zinc/07/74/79/169077479.db2.gz KJKAENGKEBIBBE-SECBINFHSA-N 1 1 157.232 1.973 10 0 ADAEMO FC[C@H]1CCC[N@H+]1C[C@H]1CCCO1 306470049 169077508 /nfs/dbraw/zinc/07/75/08/169077508.db2.gz QHIHZKHASDZEHE-NXEZZACHSA-N 1 1 187.258 1.599 10 0 ADAEMO FC[C@@H]1CCC[N@H+]1C1CCC1 306846809 169077629 /nfs/dbraw/zinc/07/76/29/169077629.db2.gz KJKAENGKEBIBBE-VIFPVBQESA-N 1 1 157.232 1.973 10 0 ADAEMO FC[C@H]1CCC[N@H+]1C[C@H]1CCOC1 306328235 169077655 /nfs/dbraw/zinc/07/76/55/169077655.db2.gz KVSNFGXRYFMZHA-NXEZZACHSA-N 1 1 187.258 1.457 10 0 ADAEMO FCCC[N@H+]1C[C@@H]2C[C@H]1CS2 334784670 169077813 /nfs/dbraw/zinc/07/78/13/169077813.db2.gz DUDFTUFVFLJLFP-YUMQZZPRSA-N 1 1 175.272 1.536 10 0 ADAEMO FC[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 336279827 169077823 /nfs/dbraw/zinc/07/78/23/169077823.db2.gz DEAWZCWLDFRHMG-GHMZBOCLSA-N 1 1 199.269 1.765 10 0 ADAEMO FCCCN1CC[N@H+]2CCC[C@H]2C1 307152581 169077847 /nfs/dbraw/zinc/07/78/47/169077847.db2.gz YPDDIUDYCFWZJU-JTQLQIEISA-N 1 1 186.274 1.126 10 0 ADAEMO FCCC[N@H+]1CCC12CCC2 307002931 169077867 /nfs/dbraw/zinc/07/78/67/169077867.db2.gz CULJQXHYLRALOG-UHFFFAOYSA-N 1 1 157.232 1.974 10 0 ADAEMO FC[C@@H]1CCC[N@H+]1C[C@H]1CCCO1 306470051 169077928 /nfs/dbraw/zinc/07/79/28/169077928.db2.gz QHIHZKHASDZEHE-VHSXEESVSA-N 1 1 187.258 1.599 10 0 ADAEMO FCCC[N@H+]1C[C@H]2CCC[C@@H]21 307606757 169078016 /nfs/dbraw/zinc/07/80/16/169078016.db2.gz BSRUUYCBZLACMY-BDAKNGLRSA-N 1 1 157.232 1.830 10 0 ADAEMO FCCC[N@H+]1CCCOCC1 306459869 169078042 /nfs/dbraw/zinc/07/80/42/169078042.db2.gz DVACTYNFMRYPDH-UHFFFAOYSA-N 1 1 161.220 1.068 10 0 ADAEMO FCCC[N@H+]1CCCSCC1 306444342 169078109 /nfs/dbraw/zinc/07/81/09/169078109.db2.gz OOSIJEUKWDKDME-UHFFFAOYSA-N 1 1 177.288 1.785 10 0 ADAEMO FCCCN1CC[C@H]2[NH2+]CC[C@H]2C1 306925606 169078187 /nfs/dbraw/zinc/07/81/87/169078187.db2.gz MVHPCQOQWMVABO-VHSXEESVSA-N 1 1 186.274 1.030 10 0 ADAEMO FCCCN1CC[N@H+]2CCC[C@@H]2C1 307152582 169078284 /nfs/dbraw/zinc/07/82/84/169078284.db2.gz YPDDIUDYCFWZJU-SNVBAGLBSA-N 1 1 186.274 1.126 10 0 ADAEMO FCC1C[NH+](Cc2cccnc2)C1 335247790 169078288 /nfs/dbraw/zinc/07/82/88/169078288.db2.gz KGQVGXYLOODBMN-UHFFFAOYSA-N 1 1 180.226 1.483 10 0 ADAEMO FCCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 306925604 169078343 /nfs/dbraw/zinc/07/83/43/169078343.db2.gz MVHPCQOQWMVABO-NXEZZACHSA-N 1 1 186.274 1.030 10 0 ADAEMO FCCC[N@H+]1CC[C@]2(CCOC2)C1 306163430 169078373 /nfs/dbraw/zinc/07/83/73/169078373.db2.gz HJVZAZCUGKMWFT-JTQLQIEISA-N 1 1 187.258 1.458 10 0 ADAEMO FC[C@@H]1CCC[N@H+]1[C@@H]1CCOC1 306803813 169078408 /nfs/dbraw/zinc/07/84/08/169078408.db2.gz WKHNUCHLZDESEL-DTWKUNHWSA-N 1 1 173.231 1.209 10 0 ADAEMO FCCC[N@H+]1CC[C@@]2(CCOC2)C1 306163431 169078448 /nfs/dbraw/zinc/07/84/48/169078448.db2.gz HJVZAZCUGKMWFT-SNVBAGLBSA-N 1 1 187.258 1.458 10 0 ADAEMO FC[C@@H]1CCC[N@H+]1C[C@@H]1CCOC1 306328236 169078513 /nfs/dbraw/zinc/07/85/13/169078513.db2.gz KVSNFGXRYFMZHA-UWVGGRQHSA-N 1 1 187.258 1.457 10 0 ADAEMO FCCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 306928373 169078606 /nfs/dbraw/zinc/07/86/06/169078606.db2.gz XXLXTBOETVDYAN-DTORHVGOSA-N 1 1 173.231 1.209 10 0 ADAEMO FCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 306925605 169078654 /nfs/dbraw/zinc/07/86/54/169078654.db2.gz MVHPCQOQWMVABO-UWVGGRQHSA-N 1 1 186.274 1.030 10 0 ADAEMO FC[C@H]1CCC[N@H+]1C[C@@H]1CCOC1 306328237 169078689 /nfs/dbraw/zinc/07/86/89/169078689.db2.gz KVSNFGXRYFMZHA-VHSXEESVSA-N 1 1 187.258 1.457 10 0 ADAEMO FCC1C[NH+](Cc2ccco2)C1 335247620 169078707 /nfs/dbraw/zinc/07/87/07/169078707.db2.gz GCAVPWKNCKDEMO-UHFFFAOYSA-N 1 1 169.199 1.681 10 0 ADAEMO FC[C@@H]1CCC[N@H+]1C[C@@H]1CCCO1 306470050 169078721 /nfs/dbraw/zinc/07/87/21/169078721.db2.gz QHIHZKHASDZEHE-UWVGGRQHSA-N 1 1 187.258 1.599 10 0 ADAEMO FCC1C[NH+](Cc2ccccn2)C1 335249534 169078741 /nfs/dbraw/zinc/07/87/41/169078741.db2.gz WCZIKHBFKNXRRK-UHFFFAOYSA-N 1 1 180.226 1.483 10 0 ADAEMO FCCC[N@H+]1C[C@@H]2CCC[C@@H]21 307606759 169078796 /nfs/dbraw/zinc/07/87/96/169078796.db2.gz BSRUUYCBZLACMY-IUCAKERBSA-N 1 1 157.232 1.830 10 0 ADAEMO FCCC[N@H+]1C[C@H]2CCC[C@H]21 307606760 169078804 /nfs/dbraw/zinc/07/88/04/169078804.db2.gz BSRUUYCBZLACMY-RKDXNWHRSA-N 1 1 157.232 1.830 10 0 ADAEMO FCCn1c[nH+]c2c1CCCC2 124059751 169078883 /nfs/dbraw/zinc/07/88/83/169078883.db2.gz HHELDGSTSIPMDL-UHFFFAOYSA-N 1 1 168.215 1.731 10 0 ADAEMO FC[C@@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 336279830 169078914 /nfs/dbraw/zinc/07/89/14/169078914.db2.gz DEAWZCWLDFRHMG-WDEREUQCSA-N 1 1 199.269 1.765 10 0 ADAEMO FCCNc1[nH+]cnc2[nH]ccc12 306246215 169078960 /nfs/dbraw/zinc/07/89/60/169078960.db2.gz NVYHNYRIRGGYRP-UHFFFAOYSA-N 1 1 180.186 1.339 10 0 ADAEMO FCCC[N@@H+]1C[C@@H]2CCC[C@H](C1)N2 334967676 169079097 /nfs/dbraw/zinc/07/90/97/169079097.db2.gz PXMRZJYUZKEPJC-AOOOYVTPSA-N 1 1 186.274 1.172 10 0 ADAEMO FCCC[N@H+]1C[C@@H]2CCC[C@H](C1)N2 334967676 169079099 /nfs/dbraw/zinc/07/90/99/169079099.db2.gz PXMRZJYUZKEPJC-AOOOYVTPSA-N 1 1 186.274 1.172 10 0 ADAEMO FCCC[N@H+]1CCn2ccnc2C1 307666224 169079136 /nfs/dbraw/zinc/07/91/36/169079136.db2.gz MOXQBJFSINCLIT-UHFFFAOYSA-N 1 1 183.230 1.058 10 0 ADAEMO FCCC[N@H+]1CCOCC2(CC2)C1 307498649 169079176 /nfs/dbraw/zinc/07/91/76/169079176.db2.gz KVSJVUJPIOVXOU-UHFFFAOYSA-N 1 1 187.258 1.458 10 0 ADAEMO FC[C@H]1CCC[N@H+]1C[C@@H]1CCCO1 306470052 169079269 /nfs/dbraw/zinc/07/92/69/169079269.db2.gz QHIHZKHASDZEHE-ZJUUUORDSA-N 1 1 187.258 1.599 10 0 ADAEMO FCCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 306925607 169079299 /nfs/dbraw/zinc/07/92/99/169079299.db2.gz MVHPCQOQWMVABO-ZJUUUORDSA-N 1 1 186.274 1.030 10 0 ADAEMO FCCC[N@H+]1C[C@@H]2CCC[C@H]21 307606758 169079312 /nfs/dbraw/zinc/07/93/12/169079312.db2.gz BSRUUYCBZLACMY-DTWKUNHWSA-N 1 1 157.232 1.830 10 0 ADAEMO FC[C@@H]1CCC[N@H+]1[C@H]1CCOC1 306803814 169079345 /nfs/dbraw/zinc/07/93/45/169079345.db2.gz WKHNUCHLZDESEL-IUCAKERBSA-N 1 1 173.231 1.209 10 0 ADAEMO FC[C@H]1CCC[N@H+]1[C@@H]1CCOC1 306803815 169079862 /nfs/dbraw/zinc/07/98/62/169079862.db2.gz WKHNUCHLZDESEL-RKDXNWHRSA-N 1 1 173.231 1.209 10 0 ADAEMO FC[C@H]1CCC[N@H+]1[C@H]1CCOC1 306803812 169079878 /nfs/dbraw/zinc/07/98/78/169079878.db2.gz WKHNUCHLZDESEL-BDAKNGLRSA-N 1 1 173.231 1.209 10 0 ADAEMO FC[C@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 336279829 169079902 /nfs/dbraw/zinc/07/99/02/169079902.db2.gz DEAWZCWLDFRHMG-QWRGUYRKSA-N 1 1 199.269 1.765 10 0 ADAEMO FC[C@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 336279828 169079961 /nfs/dbraw/zinc/07/99/61/169079961.db2.gz DEAWZCWLDFRHMG-MNOVXSKESA-N 1 1 199.269 1.765 10 0 ADAEMO F[C@H]1C[N@H+](CCC2CC2)C[C@H]1F 336273463 169080514 /nfs/dbraw/zinc/08/05/14/169080514.db2.gz OGRARFRPSZXLIT-DTORHVGOSA-N 1 1 175.222 1.778 10 0 ADAEMO F[C@H]1C[N@@H+](CCC2CC2)C[C@H]1F 336273463 169080517 /nfs/dbraw/zinc/08/05/17/169080517.db2.gz OGRARFRPSZXLIT-DTORHVGOSA-N 1 1 175.222 1.778 10 0 ADAEMO Fc1ccc([C@H]2COCC[NH2+]2)cc1F 59675810 169083985 /nfs/dbraw/zinc/08/39/85/169083985.db2.gz YUIMDKKRMHNBOQ-SNVBAGLBSA-N 1 1 199.200 1.626 10 0 ADAEMO Fc1ccc2c(c1)CC[NH2+]C21COC1 95768106 169084149 /nfs/dbraw/zinc/08/41/49/169084149.db2.gz XROKPZFKMYZDJQ-UHFFFAOYSA-N 1 1 193.221 1.197 10 0 ADAEMO Fc1ccc([C@@H]2COCC[NH2+]2)cc1F 59675807 169084729 /nfs/dbraw/zinc/08/47/29/169084729.db2.gz YUIMDKKRMHNBOQ-JTQLQIEISA-N 1 1 199.200 1.626 10 0 ADAEMO Fc1ccccc1CNC1=[NH+]CCO1 103193639 169087954 /nfs/dbraw/zinc/08/79/54/169087954.db2.gz XSBSGHCORWUWHP-UHFFFAOYSA-N 1 1 194.209 1.302 10 0 ADAEMO Fc1ccccc1[C@@H]1[NH2+]CCCO1 49805680 169088973 /nfs/dbraw/zinc/08/89/73/169088973.db2.gz UGBFDOPEPZQURK-SNVBAGLBSA-N 1 1 181.210 1.834 10 0 ADAEMO Fc1ccccc1[C@H]1[NH2+]CCCO1 49805681 169089097 /nfs/dbraw/zinc/08/90/97/169089097.db2.gz UGBFDOPEPZQURK-JTQLQIEISA-N 1 1 181.210 1.834 10 0 ADAEMO Fc1ccccc1[C@H]1[NH2+]CCO1 49804869 169089577 /nfs/dbraw/zinc/08/95/77/169089577.db2.gz RHUPIINYMSGSEE-VIFPVBQESA-N 1 1 167.183 1.444 10 0 ADAEMO Fc1ccccc1[C@@H]1[NH2+]CCO1 49804868 169089724 /nfs/dbraw/zinc/08/97/24/169089724.db2.gz RHUPIINYMSGSEE-SECBINFHSA-N 1 1 167.183 1.444 10 0 ADAEMO NC(=[NH2+])Cc1nc2ccc(F)cc2[nH]1 76001018 169137989 /nfs/dbraw/zinc/13/79/89/169137989.db2.gz NQYITVDKAUIGOZ-UHFFFAOYSA-N 1 1 192.197 1.180 10 0 ADAEMO NC(=[NH2+])Nc1nc2ccc(F)cc2[nH]1 95922910 169139304 /nfs/dbraw/zinc/13/93/04/169139304.db2.gz UGJYQDXWFJWQPE-UHFFFAOYSA-N 1 1 193.185 1.007 10 0 ADAEMO NC(=[NH2+])c1c(F)ccc(F)c1F 75847643 169139539 /nfs/dbraw/zinc/13/95/39/169139539.db2.gz YGAFQIUAGDQWEK-UHFFFAOYSA-N 1 1 174.125 1.388 10 0 ADAEMO NC(=[NH2+])c1cnc(-c2ccco2)s1 82417760 169140577 /nfs/dbraw/zinc/14/05/77/169140577.db2.gz QQLJUSQDLPCKBG-UHFFFAOYSA-N 1 1 193.231 1.687 10 0 ADAEMO NC(=[NH2+])c1nc2c(s1)CCCC2 75847714 169141705 /nfs/dbraw/zinc/14/17/05/169141705.db2.gz CICQPTBRUYQCQH-UHFFFAOYSA-N 1 1 181.264 1.306 10 0 ADAEMO [NH2+]=C(c1cnccn1)N1CCCCC1 62995475 169142738 /nfs/dbraw/zinc/14/27/38/169142738.db2.gz QASFYDNJNBNTLN-UHFFFAOYSA-N 1 1 190.250 1.288 10 0 ADAEMO [NH2+]=C(NO)c1ncc(F)c2cc[nH]c12 89213120 169143674 /nfs/dbraw/zinc/14/36/74/169143674.db2.gz XCKRKHMRIPVTGU-UHFFFAOYSA-N 1 1 194.169 1.006 10 0 ADAEMO [NH2+]=C1CCCN1[C@H]1CCN(C2CC2)C1 44725634 169144588 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/nfs/dbraw/zinc/19/90/26/169199026.db2.gz QUBVNYWYFCUTML-UHFFFAOYSA-N 1 1 194.263 1.034 10 0 ADAEMO [NH3+]CCc1[nH]nc2ccc(F)cc12 20445923 169199328 /nfs/dbraw/zinc/19/93/28/169199328.db2.gz YVWOZHPIRITIAW-UHFFFAOYSA-N 1 1 179.198 1.203 10 0 ADAEMO [NH3+]CCc1nc(C2CCCCC2)n[nH]1 41058866 169199367 /nfs/dbraw/zinc/19/93/67/169199367.db2.gz KENMKDLWCIIMSV-UHFFFAOYSA-N 1 1 194.282 1.354 10 0 ADAEMO [NH3+]CCc1nccc2[nH]ccc12 89220512 169200998 /nfs/dbraw/zinc/20/09/98/169200998.db2.gz AFCXJOWHFWGXAA-UHFFFAOYSA-N 1 1 161.208 1.064 10 0 ADAEMO [NH3+]C[C@@H](C1CC1)N1CCCCC1 26510873 169201401 /nfs/dbraw/zinc/20/14/01/169201401.db2.gz GSFHIUQOPJFRQS-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO [NH3+]CCn1c2c([nH]c1=S)CCCC2 76095222 169201836 /nfs/dbraw/zinc/20/18/36/169201836.db2.gz XCBZAISUSDGPNF-UHFFFAOYSA-N 1 1 197.307 1.009 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc2[nH]ccc2c1 44468886 169202407 /nfs/dbraw/zinc/20/24/07/169202407.db2.gz OYBROJCBVSXAFP-SECBINFHSA-N 1 1 175.235 1.126 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc2cccnc2c1 44473089 169202549 /nfs/dbraw/zinc/20/25/49/169202549.db2.gz TZMKGPFHRYCKRF-SNVBAGLBSA-N 1 1 187.246 1.193 10 0 ADAEMO NC[C@@H]([NH3+])c1cccc(C(F)F)c1 72200277 169202579 /nfs/dbraw/zinc/20/25/79/169202579.db2.gz VOWMACGRWRIDTI-MRVPVSSYSA-N 1 1 186.205 1.583 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc2c(c1)CCCC2 72200349 169202595 /nfs/dbraw/zinc/20/25/95/169202595.db2.gz CJUBEYXEXFGSFK-GFCCVEGCSA-N 1 1 190.290 1.524 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc(O)cc1Cl 72200287 169202629 /nfs/dbraw/zinc/20/26/29/169202629.db2.gz CFUHKHFIBGZMNW-MRVPVSSYSA-N 1 1 186.642 1.004 10 0 ADAEMO NC[C@@H]([NH3+])c1cccc2ccccc12 35677144 169202637 /nfs/dbraw/zinc/20/26/37/169202637.db2.gz ZCUQOPGIJRGJDA-GFCCVEGCSA-N 1 1 186.258 1.798 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc2c(c1)CCC2 44469771 169202694 /nfs/dbraw/zinc/20/26/94/169202694.db2.gz HGQPDTOGQSFQIL-LLVKDONJSA-N 1 1 176.263 1.134 10 0 ADAEMO NC[C@@H]([NH3+])c1cc(F)cc2cc[nH]c12 44477312 169202704 /nfs/dbraw/zinc/20/27/04/169202704.db2.gz ASVACFGEJLKFIR-SECBINFHSA-N 1 1 193.225 1.266 10 0 ADAEMO NC[C@@H]([NH3+])c1cccc2ncccc12 44472713 169202708 /nfs/dbraw/zinc/20/27/08/169202708.db2.gz YNYFFGGOSFJCBG-SNVBAGLBSA-N 1 1 187.246 1.193 10 0 ADAEMO NC[C@@H]([NH3+])c1cccc2cccnc12 44470399 169202749 /nfs/dbraw/zinc/20/27/49/169202749.db2.gz GZXSQOCIMXHNPC-SNVBAGLBSA-N 1 1 187.246 1.193 10 0 ADAEMO N[C@H](C[NH3+])c1c[nH]c2cc(F)ccc12 44469701 169202772 /nfs/dbraw/zinc/20/27/72/169202772.db2.gz XOMRADRKUXVHMU-SECBINFHSA-N 1 1 193.225 1.266 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc2occc2c1 44471025 169202847 /nfs/dbraw/zinc/20/28/47/169202847.db2.gz XBNHBHPILBBWRO-SECBINFHSA-N 1 1 176.219 1.391 10 0 ADAEMO NC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 28817620 169202924 /nfs/dbraw/zinc/20/29/24/169202924.db2.gz UKOXMORSBCWDCN-LTMLNTECSA-N 1 1 194.322 1.489 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc2cc[nH]c2c1 44470701 169203043 /nfs/dbraw/zinc/20/30/43/169203043.db2.gz OQRSQHXPQXKBKS-SECBINFHSA-N 1 1 175.235 1.126 10 0 ADAEMO NC[C@@H]([NH3+])c1cccc2cc[nH]c12 44470461 169203249 /nfs/dbraw/zinc/20/32/49/169203249.db2.gz BIASRKMWVWZCDX-SECBINFHSA-N 1 1 175.235 1.126 10 0 ADAEMO NC[C@@H]([NH3+])Cc1ccc(Cl)cc1 59234868 169203366 /nfs/dbraw/zinc/20/33/66/169203366.db2.gz DXJPJHDQAWNQLQ-VIFPVBQESA-N 1 1 184.670 1.169 10 0 ADAEMO NC[C@@H]([NH3+])c1ccnc2ccccc12 44469161 169203383 /nfs/dbraw/zinc/20/33/83/169203383.db2.gz GSJPQAGGYZCVHQ-SNVBAGLBSA-N 1 1 187.246 1.193 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc(F)c(Cl)c1 72200323 169203389 /nfs/dbraw/zinc/20/33/89/169203389.db2.gz CHRUJYWIGBYSHX-MRVPVSSYSA-N 1 1 188.633 1.438 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc(C(F)F)cc1 72200275 169203602 /nfs/dbraw/zinc/20/36/02/169203602.db2.gz NMGXLTHRBCWQQZ-MRVPVSSYSA-N 1 1 186.205 1.583 10 0 ADAEMO NC[C@@H]([NH3+])c1ccc2ccccc2c1 22028904 169203665 /nfs/dbraw/zinc/20/36/65/169203665.db2.gz XFFSBSNRWOVMFS-GFCCVEGCSA-N 1 1 186.258 1.798 10 0 ADAEMO NC[C@@H]([NH3+])c1cnc2ccccc2c1 44469155 169203675 /nfs/dbraw/zinc/20/36/75/169203675.db2.gz XRRVLUVJQVBZPL-SNVBAGLBSA-N 1 1 187.246 1.193 10 0 ADAEMO NC[C@@H]([NH3+])c1cccc2[nH]ccc12 44470656 169203689 /nfs/dbraw/zinc/20/36/89/169203689.db2.gz JXUFMCOOIHEGNL-SECBINFHSA-N 1 1 175.235 1.126 10 0 ADAEMO NC[C@@H]([NH3+])c1cc(F)ccc1Cl 72200333 169203814 /nfs/dbraw/zinc/20/38/14/169203814.db2.gz IPFJEZJDVKNAEU-MRVPVSSYSA-N 1 1 188.633 1.438 10 0 ADAEMO NC[C@@H]([NH3+])c1ccccc1C(F)F 72200273 169204069 /nfs/dbraw/zinc/20/40/69/169204069.db2.gz JGHNSZLIFDEECB-MRVPVSSYSA-N 1 1 186.205 1.583 10 0 ADAEMO NC[C@@H]1CCCC[N@H+]1C1CCCC1 44539969 169206520 /nfs/dbraw/zinc/20/65/20/169206520.db2.gz BXLVALYDHRLBCN-NSHDSACASA-N 1 1 182.311 1.742 10 0 ADAEMO NC[C@@H](c1cc[nH]c1)[NH+]1CCCC1 71498070 169206732 /nfs/dbraw/zinc/20/67/32/169206732.db2.gz MHZRQEGXRKSFOD-JTQLQIEISA-N 1 1 179.267 1.110 10 0 ADAEMO NC[C@@H](c1cc[nH]c1)[NH+]1CCCCC1 71506633 169206997 /nfs/dbraw/zinc/20/69/97/169206997.db2.gz SEYKDTYGJTXWOO-NSHDSACASA-N 1 1 193.294 1.500 10 0 ADAEMO [NH3+]C[C@@H]1CCCc2n[nH]c(C3CC3)c21 82827870 169208665 /nfs/dbraw/zinc/20/86/65/169208665.db2.gz HMGIZBUOSFHDNR-QMMMGPOBSA-N 1 1 191.278 1.666 10 0 ADAEMO NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 33606192 169208730 /nfs/dbraw/zinc/20/87/30/169208730.db2.gz PUVRPONDSAVLJE-LBPRGKRZSA-N 1 1 194.322 1.910 10 0 ADAEMO NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 33606192 169208732 /nfs/dbraw/zinc/20/87/32/169208732.db2.gz PUVRPONDSAVLJE-LBPRGKRZSA-N 1 1 194.322 1.910 10 0 ADAEMO [NH3+]C[C@@H]1CNCc2cc(Cl)ccc21 57490167 169210120 /nfs/dbraw/zinc/21/01/20/169210120.db2.gz LHXKAOGPWBCQMH-MRVPVSSYSA-N 1 1 196.681 1.486 10 0 ADAEMO [NH3+]C[C@@H]1CNCc2cccc(Cl)c21 57490170 169210303 /nfs/dbraw/zinc/21/03/03/169210303.db2.gz UPSCPPVDGUUMSD-MRVPVSSYSA-N 1 1 196.681 1.486 10 0 ADAEMO NC[C@H]([NH3+])Cc1ccc(Cl)cc1 19359767 169211105 /nfs/dbraw/zinc/21/11/05/169211105.db2.gz DXJPJHDQAWNQLQ-SECBINFHSA-N 1 1 184.670 1.169 10 0 ADAEMO NC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 28817622 169211821 /nfs/dbraw/zinc/21/18/21/169211821.db2.gz UKOXMORSBCWDCN-CRCJWISWSA-N 1 1 194.322 1.489 10 0 ADAEMO N[C@]1(C[NH3+])CCCc2ccccc21 34423360 169211849 /nfs/dbraw/zinc/21/18/49/169211849.db2.gz ACRKNWDSVDGHNB-NSHDSACASA-N 1 1 176.263 1.136 10 0 ADAEMO [NH3+]C[C@H](C1CC1)N1CCCCC1 26510876 169212101 /nfs/dbraw/zinc/21/21/01/169212101.db2.gz GSFHIUQOPJFRQS-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO NC[C@H]([NH3+])c1ccc2occc2c1 44471028 169212253 /nfs/dbraw/zinc/21/22/53/169212253.db2.gz XBNHBHPILBBWRO-VIFPVBQESA-N 1 1 176.219 1.391 10 0 ADAEMO NC[C@H]([NH3+])c1cccc(C(F)F)c1 72200278 169212541 /nfs/dbraw/zinc/21/25/41/169212541.db2.gz VOWMACGRWRIDTI-QMMMGPOBSA-N 1 1 186.205 1.583 10 0 ADAEMO NC[C@H]([NH3+])c1ccc2ccccc2c1 35677055 169212572 /nfs/dbraw/zinc/21/25/72/169212572.db2.gz XFFSBSNRWOVMFS-LBPRGKRZSA-N 1 1 186.258 1.798 10 0 ADAEMO NC[C@H]([NH3+])c1ccc2cc[nH]c2c1 44470704 169212585 /nfs/dbraw/zinc/21/25/85/169212585.db2.gz OQRSQHXPQXKBKS-VIFPVBQESA-N 1 1 175.235 1.126 10 0 ADAEMO NC[C@H]([NH3+])c1cccc2cc[nH]c12 44470464 169212611 /nfs/dbraw/zinc/21/26/11/169212611.db2.gz BIASRKMWVWZCDX-VIFPVBQESA-N 1 1 175.235 1.126 10 0 ADAEMO NC[C@H]([NH3+])c1ccc(F)c(Cl)c1 72200324 169212615 /nfs/dbraw/zinc/21/26/15/169212615.db2.gz CHRUJYWIGBYSHX-QMMMGPOBSA-N 1 1 188.633 1.438 10 0 ADAEMO NC[C@H]([NH3+])c1ccc2c(c1)CCCC2 72200350 169212653 /nfs/dbraw/zinc/21/26/53/169212653.db2.gz CJUBEYXEXFGSFK-LBPRGKRZSA-N 1 1 190.290 1.524 10 0 ADAEMO NC[C@H]([NH3+])c1ccc2[nH]ccc2c1 44468889 169212813 /nfs/dbraw/zinc/21/28/13/169212813.db2.gz OYBROJCBVSXAFP-VIFPVBQESA-N 1 1 175.235 1.126 10 0 ADAEMO NC[C@H]([NH3+])c1cccc2[nH]ccc12 44470659 169212881 /nfs/dbraw/zinc/21/28/81/169212881.db2.gz JXUFMCOOIHEGNL-VIFPVBQESA-N 1 1 175.235 1.126 10 0 ADAEMO NC[C@H]([NH3+])c1cc(F)ccc1Cl 72200334 169212895 /nfs/dbraw/zinc/21/28/95/169212895.db2.gz IPFJEZJDVKNAEU-QMMMGPOBSA-N 1 1 188.633 1.438 10 0 ADAEMO NC[C@H]([NH3+])c1ccc2cccnc2c1 44473092 169212902 /nfs/dbraw/zinc/21/29/02/169212902.db2.gz TZMKGPFHRYCKRF-JTQLQIEISA-N 1 1 187.246 1.193 10 0 ADAEMO NC[C@H]([NH3+])c1ccc(C(F)F)cc1 72200276 169212933 /nfs/dbraw/zinc/21/29/33/169212933.db2.gz NMGXLTHRBCWQQZ-QMMMGPOBSA-N 1 1 186.205 1.583 10 0 ADAEMO NC[C@H]([NH3+])c1cccc2ncccc12 44472716 169213056 /nfs/dbraw/zinc/21/30/56/169213056.db2.gz YNYFFGGOSFJCBG-JTQLQIEISA-N 1 1 187.246 1.193 10 0 ADAEMO NC[C@H]([NH3+])c1ccccc1C(F)F 72200274 169213168 /nfs/dbraw/zinc/21/31/68/169213168.db2.gz JGHNSZLIFDEECB-QMMMGPOBSA-N 1 1 186.205 1.583 10 0 ADAEMO NC[C@H]([NH3+])c1cccc2ccccc12 35677145 169213177 /nfs/dbraw/zinc/21/31/77/169213177.db2.gz ZCUQOPGIJRGJDA-LBPRGKRZSA-N 1 1 186.258 1.798 10 0 ADAEMO NC[C@H]([NH3+])c1ccc(O)cc1Cl 72200288 169213291 /nfs/dbraw/zinc/21/32/91/169213291.db2.gz CFUHKHFIBGZMNW-QMMMGPOBSA-N 1 1 186.642 1.004 10 0 ADAEMO NC[C@H]([NH3+])c1ccc2c(c1)CCC2 44469774 169213307 /nfs/dbraw/zinc/21/33/07/169213307.db2.gz HGQPDTOGQSFQIL-NSHDSACASA-N 1 1 176.263 1.134 10 0 ADAEMO NC[C@H]([NH3+])c1cc(F)cc2cc[nH]c12 44477315 169213344 /nfs/dbraw/zinc/21/33/44/169213344.db2.gz ASVACFGEJLKFIR-VIFPVBQESA-N 1 1 193.225 1.266 10 0 ADAEMO NC[C@H]([NH3+])c1cccc2cccnc12 44470402 169213398 /nfs/dbraw/zinc/21/33/98/169213398.db2.gz GZXSQOCIMXHNPC-JTQLQIEISA-N 1 1 187.246 1.193 10 0 ADAEMO NC[C@H](c1cc[nH]c1)[NH+]1CCCC1 71498067 169213622 /nfs/dbraw/zinc/21/36/22/169213622.db2.gz MHZRQEGXRKSFOD-SNVBAGLBSA-N 1 1 179.267 1.110 10 0 ADAEMO NC[C@H](c1cc[nH]c1)[NH+]1CCCCC1 71506632 169214146 /nfs/dbraw/zinc/21/41/46/169214146.db2.gz SEYKDTYGJTXWOO-LLVKDONJSA-N 1 1 193.294 1.500 10 0 ADAEMO NC[C@H]1CCCC[N@H+]1C1CCCC1 44539967 169214956 /nfs/dbraw/zinc/21/49/56/169214956.db2.gz BXLVALYDHRLBCN-LLVKDONJSA-N 1 1 182.311 1.742 10 0 ADAEMO NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 33606194 169215551 /nfs/dbraw/zinc/21/55/51/169215551.db2.gz PUVRPONDSAVLJE-GFCCVEGCSA-N 1 1 194.322 1.910 10 0 ADAEMO NC[C@H]1CCC[N@H+]1CC1=CCCCC1 33606194 169215552 /nfs/dbraw/zinc/21/55/52/169215552.db2.gz PUVRPONDSAVLJE-GFCCVEGCSA-N 1 1 194.322 1.910 10 0 ADAEMO [NH3+]C[C@H]1CCCc2n[nH]c(C3CC3)c21 82827871 169216071 /nfs/dbraw/zinc/21/60/71/169216071.db2.gz HMGIZBUOSFHDNR-MRVPVSSYSA-N 1 1 191.278 1.666 10 0 ADAEMO [NH3+]Cc1cnc(C2CCCC2)[nH]1 62820781 169218355 /nfs/dbraw/zinc/21/83/55/169218355.db2.gz ZLJPAKZIOJEFGB-UHFFFAOYSA-N 1 1 165.240 1.526 10 0 ADAEMO [NH3+]Cc1cnc(Oc2ccccc2)[nH]1 82881108 169218393 /nfs/dbraw/zinc/21/83/93/169218393.db2.gz NMGUTLCHOMJQGU-UHFFFAOYSA-N 1 1 189.218 1.661 10 0 ADAEMO [NH3+]Cc1cnc(-c2cccc(F)c2)[nH]1 62820814 169218436 /nfs/dbraw/zinc/21/84/36/169218436.db2.gz PKJBKEOURLTVHU-UHFFFAOYSA-N 1 1 191.209 1.675 10 0 ADAEMO [NH3+]Cc1cnc(-c2ccsc2)[nH]1 62820823 169218457 /nfs/dbraw/zinc/21/84/57/169218457.db2.gz DFBCCEABOBEQRI-UHFFFAOYSA-N 1 1 179.248 1.597 10 0 ADAEMO [NH3+]Cc1c(O)cc2n1CCCCC2 106086541 169218557 /nfs/dbraw/zinc/21/85/57/169218557.db2.gz BOTQZRMFUOAJCQ-UHFFFAOYSA-N 1 1 180.251 1.379 10 0 ADAEMO [NH3+]Cc1cnc(-c2ccco2)[nH]1 62820857 169218638 /nfs/dbraw/zinc/21/86/38/169218638.db2.gz QWKVARSXGPXERH-UHFFFAOYSA-N 1 1 163.180 1.128 10 0 ADAEMO [NH3+]Cc1cnc(Cc2ccccc2)[nH]1 62820787 169218683 /nfs/dbraw/zinc/21/86/83/169218683.db2.gz YOCOCUFTWSCAJB-UHFFFAOYSA-N 1 1 187.246 1.459 10 0 ADAEMO [NH3+]Cc1cnc(C2CCCCC2)[nH]1 62820794 169218754 /nfs/dbraw/zinc/21/87/54/169218754.db2.gz IGPSJMNKCPGZPN-UHFFFAOYSA-N 1 1 179.267 1.916 10 0 ADAEMO [NH3+]Cc1cnc(-c2ccccc2F)[nH]1 71500932 169218961 /nfs/dbraw/zinc/21/89/61/169218961.db2.gz KRBWZLWTDDIINU-UHFFFAOYSA-N 1 1 191.209 1.675 10 0 ADAEMO [NH3+]Cc1cnc(Cc2cccs2)[nH]1 62820866 169219075 /nfs/dbraw/zinc/21/90/75/169219075.db2.gz MITFMZUACITAIR-UHFFFAOYSA-N 1 1 193.275 1.521 10 0 ADAEMO [NH3+]Cc1cc(CN2CCCCC2)on1 16943482 169219245 /nfs/dbraw/zinc/21/92/45/169219245.db2.gz XWROOESGZUIOPU-UHFFFAOYSA-N 1 1 195.266 1.119 10 0 ADAEMO [NH3+]Cc1cnc(-c2ccc(F)cc2)[nH]1 62820797 169219532 /nfs/dbraw/zinc/21/95/32/169219532.db2.gz SZDYBAAUMHGQAT-UHFFFAOYSA-N 1 1 191.209 1.675 10 0 ADAEMO [NH3+]Cc1cnc(-c2cccs2)[nH]1 62820799 169219554 /nfs/dbraw/zinc/21/95/54/169219554.db2.gz HOERPNKPSUFEAC-UHFFFAOYSA-N 1 1 179.248 1.597 10 0 ADAEMO NCc1cc(NC2CC2)cc[nH+]1 61811757 169220190 /nfs/dbraw/zinc/22/01/90/169220190.db2.gz WNZCYPFYSRJFQM-UHFFFAOYSA-N 1 1 163.224 1.115 10 0 ADAEMO NCc1cc(NC2CCC2)cc[nH+]1 82634491 169220208 /nfs/dbraw/zinc/22/02/08/169220208.db2.gz BBEZXUCPBFUJNM-UHFFFAOYSA-N 1 1 177.251 1.505 10 0 ADAEMO NCc1cc(NC2CCCC2)cc[nH+]1 61811777 169220721 /nfs/dbraw/zinc/22/07/21/169220721.db2.gz AOGQUUOBVHJFOJ-UHFFFAOYSA-N 1 1 191.278 1.895 10 0 ADAEMO NCc1ccc(C[NH+]2CCCC2)o1 16942650 169221498 /nfs/dbraw/zinc/22/14/98/169221498.db2.gz JYZYWXLNLWJNKH-UHFFFAOYSA-N 1 1 180.251 1.334 10 0 ADAEMO [NH3+]Cc1ccc(F)c(O)c1F 13556339 169222238 /nfs/dbraw/zinc/22/22/38/169222238.db2.gz ARLSXSJLCYMMDM-UHFFFAOYSA-N 1 1 159.135 1.129 10 0 ADAEMO NCc1ccc(C[NH+]2CCCCC2)o1 16942664 169222440 /nfs/dbraw/zinc/22/24/40/169222440.db2.gz QVCOLMZLKKGQCQ-UHFFFAOYSA-N 1 1 194.278 1.724 10 0 ADAEMO [NH3+]Cc1cc2[nH]cnc2c(Cl)n1 89203110 169222495 /nfs/dbraw/zinc/22/24/95/169222495.db2.gz OJCBXCFPTBSNQW-UHFFFAOYSA-N 1 1 182.614 1.070 10 0 ADAEMO [NH3+]Cc1ccc(O)c2occc12 82850624 169223305 /nfs/dbraw/zinc/22/33/05/169223305.db2.gz WGDYDGSINNUCNJ-UHFFFAOYSA-N 1 1 163.176 1.597 10 0 ADAEMO [NH3+]Cc1ccc2[nH]c(Cl)nc2c1 82874614 169223465 /nfs/dbraw/zinc/22/34/65/169223465.db2.gz JBMXJRFZDGIGAZ-UHFFFAOYSA-N 1 1 181.626 1.675 10 0 ADAEMO [NH3+]Cc1ccc2[nH]c(C3CC3)nc2c1 71500013 169223687 /nfs/dbraw/zinc/22/36/87/169223687.db2.gz ZDVXYZBPBAIYTM-UHFFFAOYSA-N 1 1 187.246 1.899 10 0 ADAEMO [NH3+]Cc1nc(-c2ccc(F)cc2)co1 71506050 169228273 /nfs/dbraw/zinc/22/82/73/169228273.db2.gz MVWIWLABLYIHDW-UHFFFAOYSA-N 1 1 192.193 1.939 10 0 ADAEMO [NH3+]Cc1nc(-c2cccs2)co1 71498171 169228277 /nfs/dbraw/zinc/22/82/77/169228277.db2.gz MMHDEFDAYYBWGZ-UHFFFAOYSA-N 1 1 180.232 1.862 10 0 ADAEMO [NH3+]Cc1nc(/C=C\c2ccco2)no1 73640812 169228684 /nfs/dbraw/zinc/22/86/84/169228684.db2.gz MIPMXROBZVYWBV-ARJAWSKDSA-N 1 1 191.190 1.292 10 0 ADAEMO [NH3+]Cc1nc(-c2ccccc2)co1 71496786 169228747 /nfs/dbraw/zinc/22/87/47/169228747.db2.gz IINWRUPPTUJZQY-UHFFFAOYSA-N 1 1 174.203 1.800 10 0 ADAEMO [NH3+]Cc1nc2cc3c(cc2o1)OCO3 74270946 169228759 /nfs/dbraw/zinc/22/87/59/169228759.db2.gz NUZZVWPLTUVLRA-UHFFFAOYSA-N 1 1 192.174 1.015 10 0 ADAEMO [NH3+]Cc1nc(-c2cc[nH]c2)co1 71495702 169229008 /nfs/dbraw/zinc/22/90/08/169229008.db2.gz IUBVTTKVURRLCH-UHFFFAOYSA-N 1 1 163.180 1.128 10 0 ADAEMO [NH3+]Cc1nc(Cl)cc2[nH]cnc12 89203122 169229092 /nfs/dbraw/zinc/22/90/92/169229092.db2.gz VGLDKUAJRQPBIX-UHFFFAOYSA-N 1 1 182.614 1.070 10 0 ADAEMO [NH3+]Cc1nc(CCC2CCCC2)no1 73640802 169229206 /nfs/dbraw/zinc/22/92/06/169229206.db2.gz WUSQOBPXAOEZJN-UHFFFAOYSA-N 1 1 195.266 1.651 10 0 ADAEMO [NH3+]Cc1nc2cc(F)c(F)cc2o1 62520347 169229282 /nfs/dbraw/zinc/22/92/82/169229282.db2.gz DPTBXHIJMARJBY-UHFFFAOYSA-N 1 1 184.145 1.565 10 0 ADAEMO [NH3+]Cc1nc2cc(F)cc(F)c2o1 62520339 169229526 /nfs/dbraw/zinc/22/95/26/169229526.db2.gz LALXERJVHCCQHD-UHFFFAOYSA-N 1 1 184.145 1.565 10 0 ADAEMO [NH3+]Cc1nc(Oc2ccccc2)no1 83277762 169229547 /nfs/dbraw/zinc/22/95/47/169229547.db2.gz LBAUBUWZGZJKTR-UHFFFAOYSA-N 1 1 191.190 1.321 10 0 ADAEMO [NH3+]Cc1nc(Cc2ccsc2)no1 73640905 169229839 /nfs/dbraw/zinc/22/98/39/169229839.db2.gz KAABCWYHIPCNNQ-UHFFFAOYSA-N 1 1 195.247 1.181 10 0 ADAEMO [NH3+]Cc1csc([C@@H]2CCCCN2)n1 83342844 169229984 /nfs/dbraw/zinc/22/99/84/169229984.db2.gz MZBZALTVRFKFMH-QMMMGPOBSA-N 1 1 197.307 1.416 10 0 ADAEMO [NH3+]Cc1ncn(C2CCCCC2)n1 61842959 169230266 /nfs/dbraw/zinc/23/02/66/169230266.db2.gz HZTHVHVVMZBFGE-UHFFFAOYSA-N 1 1 180.255 1.242 10 0 ADAEMO [NH3+]Cc1ncc(-c2cccnc2)o1 75429810 169230339 /nfs/dbraw/zinc/23/03/39/169230339.db2.gz LOGNGDHWOBKLHP-UHFFFAOYSA-N 1 1 175.191 1.195 10 0 ADAEMO [NH3+]Cc1ncc(-c2ccccn2)o1 75429814 169230540 /nfs/dbraw/zinc/23/05/40/169230540.db2.gz PSQMEKVJVWLRJP-UHFFFAOYSA-N 1 1 175.191 1.195 10 0 ADAEMO [NH3+]Cc1nnc(-c2ccco2)s1 58519841 169230543 /nfs/dbraw/zinc/23/05/43/169230543.db2.gz MRNOCOGRBRGANP-UHFFFAOYSA-N 1 1 181.220 1.257 10 0 ADAEMO [NH3+]Cc1nnc(-c2ccc(F)cc2)o1 11585619 169230564 /nfs/dbraw/zinc/23/05/64/169230564.db2.gz UKMYENMITRKTJD-UHFFFAOYSA-N 1 1 193.181 1.334 10 0 ADAEMO [NH3+]Cc1nnc(-c2ccccc2F)o1 11585613 169230612 /nfs/dbraw/zinc/23/06/12/169230612.db2.gz WSIKPRIXZPYOPA-UHFFFAOYSA-N 1 1 193.181 1.334 10 0 ADAEMO [NH3+]Cc1ncc(-c2ccc(F)cc2)o1 11586991 169230617 /nfs/dbraw/zinc/23/06/17/169230617.db2.gz RDDXGILPEWBXEP-UHFFFAOYSA-N 1 1 192.193 1.939 10 0 ADAEMO [NH3+]Cc1nnc(-c2cscn2)s1 83282742 169230831 /nfs/dbraw/zinc/23/08/31/169230831.db2.gz WTTCBOUHZJEYHJ-UHFFFAOYSA-N 1 1 198.276 1.120 10 0 ADAEMO [NH3+]Cc1ncc(-c2cc[nH]c2)o1 71495703 169230932 /nfs/dbraw/zinc/23/09/32/169230932.db2.gz JMENHOSTGKABJA-UHFFFAOYSA-N 1 1 163.180 1.128 10 0 ADAEMO [NH3+]Cc1nnc(-c2ccsc2)o1 50273197 169231010 /nfs/dbraw/zinc/23/10/10/169231010.db2.gz BYKCPQXJHQDRQN-UHFFFAOYSA-N 1 1 181.220 1.257 10 0 ADAEMO [NH3+]Cc1ncc(-c2ccncc2)o1 75429811 169231066 /nfs/dbraw/zinc/23/10/66/169231066.db2.gz CTLJTZVWICPZFH-UHFFFAOYSA-N 1 1 175.191 1.195 10 0 ADAEMO [NH3+]Cc1nnc(C(F)(F)F)s1 83275188 169231281 /nfs/dbraw/zinc/23/12/81/169231281.db2.gz KWYLYFGZJUXFNL-UHFFFAOYSA-N 1 1 183.158 1.016 10 0 ADAEMO [NH3+]Cc1nnc(-c2ccncc2)s1 57488549 169231327 /nfs/dbraw/zinc/23/13/27/169231327.db2.gz ACALCBRNTNAACI-UHFFFAOYSA-N 1 1 192.247 1.059 10 0 ADAEMO [NH3+]Cc1nnc(-c2cccnc2)s1 57488548 169231534 /nfs/dbraw/zinc/23/15/34/169231534.db2.gz YMUGFNZZJAKBHS-UHFFFAOYSA-N 1 1 192.247 1.059 10 0 ADAEMO [NH3+]Cc1nnc(-c2cccc(F)c2)o1 11585617 169231589 /nfs/dbraw/zinc/23/15/89/169231589.db2.gz RQGRKULZUXKNPP-UHFFFAOYSA-N 1 1 193.181 1.334 10 0 ADAEMO [NH3+]Cc1nnc(-c2cccs2)s1 57490269 169231792 /nfs/dbraw/zinc/23/17/92/169231792.db2.gz XCCXWYUJZAPWCA-UHFFFAOYSA-N 1 1 197.288 1.725 10 0 ADAEMO [NH3+]Cc1nnc(/C=C/c2ccco2)o1 83341611 169231878 /nfs/dbraw/zinc/23/18/78/169231878.db2.gz JRKOAIJEWUCWQT-ONEGZZNKSA-N 1 1 191.190 1.292 10 0 ADAEMO [NH3+]Cc1nnc(C2CCCC2)o1 50283528 169232077 /nfs/dbraw/zinc/23/20/77/169232077.db2.gz CTFMDITZNDIRSZ-UHFFFAOYSA-N 1 1 167.212 1.186 10 0 ADAEMO [NH3+]Cc1nnc(CC2=CCCCC2)o1 83341973 169232209 /nfs/dbraw/zinc/23/22/09/169232209.db2.gz ITZNOPRIJDJHIG-UHFFFAOYSA-N 1 1 193.250 1.571 10 0 ADAEMO [NH3+]Cc1nnc([C@H]2C[C@@H]3C=C[C@H]2C3)o1 83341655 169232239 /nfs/dbraw/zinc/23/22/39/169232239.db2.gz STLWOPDOJLIZHJ-CSMHCCOUSA-N 1 1 191.234 1.208 10 0 ADAEMO [NH3+]Cc1nnc(CC2CCCCC2)o1 50283490 169232347 /nfs/dbraw/zinc/23/23/47/169232347.db2.gz RXBKHQRBFVGRPZ-UHFFFAOYSA-N 1 1 195.266 1.651 10 0 ADAEMO [NH3+]Cc1noc([C@H]2C[C@H]3CC[C@@H]2C3)n1 42175804 169232354 /nfs/dbraw/zinc/23/23/54/169232354.db2.gz XAMZTXFYQCZMSU-RNJXMRFFSA-N 1 1 193.250 1.432 10 0 ADAEMO [NH3+]Cc1nnc([C@H]2C[C@H]3CC[C@@H]2C3)o1 50283512 169232423 /nfs/dbraw/zinc/23/24/23/169232423.db2.gz RSIBCBPNJVBXHT-RNJXMRFFSA-N 1 1 193.250 1.432 10 0 ADAEMO [NH3+]Cc1nnc([C@@H]2C[C@@H]3C=C[C@H]2C3)o1 83341656 169232925 /nfs/dbraw/zinc/23/29/25/169232925.db2.gz STLWOPDOJLIZHJ-GJMOJQLCSA-N 1 1 191.234 1.208 10 0 ADAEMO [NH3+]Cc1nnc([C@@H]2CC=CCC2)o1 83340397 169232940 /nfs/dbraw/zinc/23/29/40/169232940.db2.gz WRCCEQRDJXWMIE-SSDOTTSWSA-N 1 1 179.223 1.352 10 0 ADAEMO [NH3+]Cc1nnc(CCC2CCCC2)o1 50283470 169232948 /nfs/dbraw/zinc/23/29/48/169232948.db2.gz IQHPBBOCSHJFRZ-UHFFFAOYSA-N 1 1 195.266 1.651 10 0 ADAEMO NCc1occc1C[NH+]1CCCC1 52377414 169232966 /nfs/dbraw/zinc/23/29/66/169232966.db2.gz COEHFAYRFSLFJQ-UHFFFAOYSA-N 1 1 180.251 1.334 10 0 ADAEMO [NH3+]Cc1nnc(C2CCCC2)s1 83275763 169233016 /nfs/dbraw/zinc/23/30/16/169233016.db2.gz RORWPRKRRDSGST-UHFFFAOYSA-N 1 1 183.280 1.654 10 0 ADAEMO [NH3+]Cc1nnc(C2CCCCC2)o1 11585592 169233058 /nfs/dbraw/zinc/23/30/58/169233058.db2.gz LOSXGJLUIGCOPU-UHFFFAOYSA-N 1 1 181.239 1.576 10 0 ADAEMO [NH3+]Cc1nnc(Cc2ccsc2)o1 50283495 169233112 /nfs/dbraw/zinc/23/31/12/169233112.db2.gz OBQMLJQUABAPBH-UHFFFAOYSA-N 1 1 195.247 1.181 10 0 ADAEMO [NH3+]Cc1nnc([C@H]2CC=CCC2)o1 83340398 169233219 /nfs/dbraw/zinc/23/32/19/169233219.db2.gz WRCCEQRDJXWMIE-ZETCQYMHSA-N 1 1 179.223 1.352 10 0 ADAEMO [NH3+]Cc1nnc(C2CCCCCC2)o1 53716352 169233363 /nfs/dbraw/zinc/23/33/63/169233363.db2.gz VGHUCODWYRRMFU-UHFFFAOYSA-N 1 1 195.266 1.966 10 0 ADAEMO [NH3+]Cc1nnc(Cc2cccs2)o1 50283479 169233384 /nfs/dbraw/zinc/23/33/84/169233384.db2.gz DAWDXXGHLGWENL-UHFFFAOYSA-N 1 1 195.247 1.181 10 0 ADAEMO NNc1ccc(-c2ccco2)n[nH+]1 50194213 169237377 /nfs/dbraw/zinc/23/73/77/169237377.db2.gz ZVNKJKJLDFHDCK-UHFFFAOYSA-N 1 1 176.179 1.022 10 0 ADAEMO NNc1ncc2c([nH+]1)CCCCC2 72417108 169238344 /nfs/dbraw/zinc/23/83/44/169238344.db2.gz WWASPDAHXOKAOM-UHFFFAOYSA-N 1 1 178.239 1.031 10 0 ADAEMO NNc1ccnc(-c2ccsc2)[nH+]1 51153526 169239141 /nfs/dbraw/zinc/23/91/41/169239141.db2.gz TVVXWKLTRACTDN-UHFFFAOYSA-N 1 1 192.247 1.491 10 0 ADAEMO [NH3+][C@@H](C(=O)NC1CC1)c1cccs1 77296039 169242162 /nfs/dbraw/zinc/24/21/62/169242162.db2.gz FWBYFBAPHWDQON-MRVPVSSYSA-N 1 1 196.275 1.027 10 0 ADAEMO [NH3+][C@@H](CN1CCCCC1)c1cc[nH]c1 71506627 169244079 /nfs/dbraw/zinc/24/40/79/169244079.db2.gz YKBLCHXEVDFMFZ-NSHDSACASA-N 1 1 193.294 1.500 10 0 ADAEMO [NH3+][C@@H](CN1CCCC1)c1cccnc1 77276597 169244209 /nfs/dbraw/zinc/24/42/09/169244209.db2.gz KTRFDUIBRFJHGJ-NSHDSACASA-N 1 1 191.278 1.177 10 0 ADAEMO [NH3+][C@@H](CN1CCCC1)c1cc[nH]c1 71498058 169244310 /nfs/dbraw/zinc/24/43/10/169244310.db2.gz RGITUQIPIFDCSU-JTQLQIEISA-N 1 1 179.267 1.110 10 0 ADAEMO [NH3+][C@@H](CN1CCCCC1)c1ccc[nH]1 77278488 169244415 /nfs/dbraw/zinc/24/44/15/169244415.db2.gz BGYHOXMRVAATOT-JTQLQIEISA-N 1 1 193.294 1.500 10 0 ADAEMO [NH3+][C@@H](CN1CCCC1)c1ccccn1 77276588 169244507 /nfs/dbraw/zinc/24/45/07/169244507.db2.gz ULTSKIPBWFIZLK-JTQLQIEISA-N 1 1 191.278 1.177 10 0 ADAEMO N[C@@H](C[NH+]1CCCC1)c1ccncc1 77276605 169244695 /nfs/dbraw/zinc/24/46/95/169244695.db2.gz CEKLUCUELGACPA-NSHDSACASA-N 1 1 191.278 1.177 10 0 ADAEMO [NH3+][C@@H](CCO)c1nc2ccccc2o1 40710815 169244811 /nfs/dbraw/zinc/24/48/11/169244811.db2.gz FRTKCCMPCJXPPR-ZETCQYMHSA-N 1 1 192.218 1.210 10 0 ADAEMO [NH3+][C@@H](CN1CCCC1)c1cccs1 19821513 169244990 /nfs/dbraw/zinc/24/49/90/169244990.db2.gz GVVJOXGMWIEFIA-VIFPVBQESA-N 1 1 196.319 1.844 10 0 ADAEMO [NH3+][C@@H](CO)c1nc2ccccc2s1 19435962 169246609 /nfs/dbraw/zinc/24/66/09/169246609.db2.gz KMQLZOLDUZDSFO-LURJTMIESA-N 1 1 194.259 1.288 10 0 ADAEMO [NH3+][C@@H](Cc1cccs1)c1nnco1 83342277 169247113 /nfs/dbraw/zinc/24/71/13/169247113.db2.gz CRGNPIARYZYILS-ZETCQYMHSA-N 1 1 195.247 1.374 10 0 ADAEMO [NH3+][C@@H](Cc1ccn[nH]1)c1ccccc1 54681422 169247849 /nfs/dbraw/zinc/24/78/49/169247849.db2.gz GXWCNCBSKKVUPR-NSHDSACASA-N 1 1 187.246 1.652 10 0 ADAEMO [NH3+][C@@H](Cc1ccccc1)c1nnco1 19676440 169248546 /nfs/dbraw/zinc/24/85/46/169248546.db2.gz ZKFXTVIQAWKNSD-VIFPVBQESA-N 1 1 189.218 1.312 10 0 ADAEMO N[C@@H](c1ccco1)[C@@H]([NH3+])c1ccco1 34455240 169248765 /nfs/dbraw/zinc/24/87/65/169248765.db2.gz PMRJEHDCSFMKQJ-UWVGGRQHSA-N 1 1 192.218 1.572 10 0 ADAEMO [NH3+][C@@H](c1ccccc1)c1cnc[nH]1 88613766 169248788 /nfs/dbraw/zinc/24/87/88/169248788.db2.gz JLSUNRBFULQCJT-JTQLQIEISA-N 1 1 173.219 1.458 10 0 in-vitro ADAEMO [NH3+][C@@H](c1nnco1)C1CCCC1 83339874 169248824 /nfs/dbraw/zinc/24/88/24/169248824.db2.gz FCRTXDSSSFSMDM-SSDOTTSWSA-N 1 1 167.212 1.260 10 0 ADAEMO [NH3+][C@@H](c1ccoc1)c1ccco1 43606782 169248870 /nfs/dbraw/zinc/24/88/70/169248870.db2.gz SGSUKYYPBPGFKY-VIFPVBQESA-N 1 1 163.176 1.921 10 0 ADAEMO [NH3+][C@@H](c1nc[nH]n1)C1CCCCC1 42040797 169248881 /nfs/dbraw/zinc/24/88/81/169248881.db2.gz VEHXVKLTSYSREJ-MRVPVSSYSA-N 1 1 180.255 1.385 10 0 ADAEMO [NH3+][C@@H](c1cccnc1)c1ccco1 8699694 169249105 /nfs/dbraw/zinc/24/91/05/169249105.db2.gz WKSVYHARTZDFLJ-JTQLQIEISA-N 1 1 174.203 1.723 10 0 ADAEMO [NH3+][C@@H](c1cccnc1)c1nccs1 19929957 169249124 /nfs/dbraw/zinc/24/91/24/169249124.db2.gz PKWRSSCISGGXEO-QMMMGPOBSA-N 1 1 191.259 1.586 10 0 ADAEMO [NH3+][C@@H](c1nnco1)C1CCCCC1 83340629 169249129 /nfs/dbraw/zinc/24/91/29/169249129.db2.gz JTNXPEAEMADYQK-MRVPVSSYSA-N 1 1 181.239 1.650 10 0 ADAEMO [NH3+][C@@H](c1cncnc1)c1ccco1 54446391 169249135 /nfs/dbraw/zinc/24/91/35/169249135.db2.gz OPDOULAOJAMZLA-VIFPVBQESA-N 1 1 175.191 1.118 10 0 ADAEMO [NH3+][C@@H](c1ncno1)C1CCCCC1 40454134 169249225 /nfs/dbraw/zinc/24/92/25/169249225.db2.gz MMYOJTJCCQFTMO-MRVPVSSYSA-N 1 1 181.239 1.650 10 0 ADAEMO [NH3+][C@@H](c1cn[nH]c1)c1ccco1 62777220 169249248 /nfs/dbraw/zinc/24/92/48/169249248.db2.gz NYTDJGYLRRWHEG-QMMMGPOBSA-N 1 1 163.180 1.051 10 0 ADAEMO [NH3+][C@@H](c1ncc[nH]1)c1ccccc1F 75872474 169249474 /nfs/dbraw/zinc/24/94/74/169249474.db2.gz BHXHHUKYKZDVMU-SECBINFHSA-N 1 1 191.209 1.597 10 0 ADAEMO [NH3+][C@@H](c1ccc(F)cc1)c1ncon1 36762069 169249476 /nfs/dbraw/zinc/24/94/76/169249476.db2.gz YDOIWHNZPLLIFR-QMMMGPOBSA-N 1 1 193.181 1.257 10 0 ADAEMO [NH3+][C@@H](c1ccncc1)c1ccco1 8699678 169249556 /nfs/dbraw/zinc/24/95/56/169249556.db2.gz GLPAEIVGZGTOBM-JTQLQIEISA-N 1 1 174.203 1.723 10 0 ADAEMO [NH3+][C@@H](c1ccc2c(c1)CCO2)C(F)F 20475387 169249605 /nfs/dbraw/zinc/24/96/05/169249605.db2.gz IEOCXEFLWNBXHF-VIFPVBQESA-N 1 1 199.200 1.886 10 0 ADAEMO [NH3+][C@@H](c1ccc[nH]1)c1ccco1 11822514 169249635 /nfs/dbraw/zinc/24/96/35/169249635.db2.gz FBJXCCSONOBEOT-VIFPVBQESA-N 1 1 162.192 1.656 10 0 ADAEMO [NH3+][C@@H](c1cncc(F)c1)c1ccco1 54455902 169249714 /nfs/dbraw/zinc/24/97/14/169249714.db2.gz FFNCNIXAKQFFJK-JTQLQIEISA-N 1 1 192.193 1.862 10 0 ADAEMO [NH3+][C@@H](c1ccncc1)c1nccs1 19930072 169249771 /nfs/dbraw/zinc/24/97/71/169249771.db2.gz NDNQTJNAUDDMIY-QMMMGPOBSA-N 1 1 191.259 1.586 10 0 ADAEMO [NH3+][C@@H](c1cnccn1)c1cccs1 19932692 169249959 /nfs/dbraw/zinc/24/99/59/169249959.db2.gz YFSZZGNOEQCRGC-VIFPVBQESA-N 1 1 191.259 1.586 10 0 ADAEMO N[C@@H]1CCC[NH2+][C@H]1c1ccc(F)cc1 57489385 169251553 /nfs/dbraw/zinc/25/15/53/169251553.db2.gz RFWYLXGEHPBJHF-MNOVXSKESA-N 1 1 194.253 1.578 10 0 ADAEMO N[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 19271338 169251672 /nfs/dbraw/zinc/25/16/72/169251672.db2.gz FLEFKPPJPOWCSZ-ZJUUUORDSA-N 1 1 168.284 1.352 10 0 ADAEMO N[C@@H]1CCC[NH2+][C@H]1c1ccccc1 33961548 169251754 /nfs/dbraw/zinc/25/17/54/169251754.db2.gz GFMAFYNUQDLPBP-MNOVXSKESA-N 1 1 176.263 1.438 10 0 ADAEMO N[C@@H]1CCCCC[C@@H]1[NH+]1CCCC1 23071985 169251803 /nfs/dbraw/zinc/25/18/03/169251803.db2.gz KHLZKKDYUYKWBL-MNOVXSKESA-N 1 1 182.311 1.742 10 0 ADAEMO [NH3+][C@@H]1CCCC[C@@H]1n1cc(O)cn1 82395801 169251898 /nfs/dbraw/zinc/25/18/98/169251898.db2.gz JNCHMYDQKQMEKF-BDAKNGLRSA-N 1 1 181.239 1.031 10 0 ADAEMO [NH3+][C@@H]1CCCC[C@H]1n1cc(O)cn1 82395800 169252227 /nfs/dbraw/zinc/25/22/27/169252227.db2.gz JNCHMYDQKQMEKF-RKDXNWHRSA-N 1 1 181.239 1.031 10 0 ADAEMO [NH3+][C@@H]1CCCC[C@@H]1c1ccn[nH]1 74339020 169252264 /nfs/dbraw/zinc/25/22/64/169252264.db2.gz FRRLPVJUUSUBQD-JGVFFNPUSA-N 1 1 165.240 1.395 10 0 ADAEMO N[C@@H]1CCCCC[C@H]1[NH+]1CCCC1 23071987 169252341 /nfs/dbraw/zinc/25/23/41/169252341.db2.gz KHLZKKDYUYKWBL-GHMZBOCLSA-N 1 1 182.311 1.742 10 0 ADAEMO [NH3+][C@@H]1CCCC[C@H]1c1ccn[nH]1 74339018 169252459 /nfs/dbraw/zinc/25/24/59/169252459.db2.gz FRRLPVJUUSUBQD-HTQZYQBOSA-N 1 1 165.240 1.395 10 0 ADAEMO N[C@@H]1CCC[NH2+][C@@H]1c1ccc(F)cc1 57489383 169252477 /nfs/dbraw/zinc/25/24/77/169252477.db2.gz RFWYLXGEHPBJHF-GHMZBOCLSA-N 1 1 194.253 1.578 10 0 ADAEMO [NH3+][C@@H]1CCC[C@H]1N1CCCCC1 19262388 169253022 /nfs/dbraw/zinc/25/30/22/169253022.db2.gz YBADGENJUNFOIO-NXEZZACHSA-N 1 1 168.284 1.352 10 0 ADAEMO [NH3+][C@@H]1CCC[C@@H](n2cc(O)cn2)C1 82395796 169253053 /nfs/dbraw/zinc/25/30/53/169253053.db2.gz VYLBXTQUYYTICY-HTQZYQBOSA-N 1 1 181.239 1.031 10 0 ADAEMO [NH3+][C@@H]1CCC[C@@H]1N1CCCCC1 19262384 169253316 /nfs/dbraw/zinc/25/33/16/169253316.db2.gz YBADGENJUNFOIO-ZJUUUORDSA-N 1 1 168.284 1.352 10 0 ADAEMO [NH3+][C@@H]1CCC[C@H](n2cc(O)cn2)C1 82395797 169253420 /nfs/dbraw/zinc/25/34/20/169253420.db2.gz VYLBXTQUYYTICY-SFYZADRCSA-N 1 1 181.239 1.031 10 0 ADAEMO [NH3+][C@@H]1CCCc2ccc3nc[nH]c3c21 75577857 169253616 /nfs/dbraw/zinc/25/36/16/169253616.db2.gz SSXIVGJTJOGNCJ-MRVPVSSYSA-N 1 1 187.246 1.899 10 0 ADAEMO N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 57937456 169254944 /nfs/dbraw/zinc/25/49/44/169254944.db2.gz YULBMTQMCXKLTD-GFCCVEGCSA-N 1 1 194.322 1.910 10 0 ADAEMO N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 57937456 169254945 /nfs/dbraw/zinc/25/49/45/169254945.db2.gz YULBMTQMCXKLTD-GFCCVEGCSA-N 1 1 194.322 1.910 10 0 ADAEMO N[C@@H]1CCc2cc(F)ccc2[C@H]1[NH3+] 39269598 169255361 /nfs/dbraw/zinc/25/53/61/169255361.db2.gz NIDILJJOTVEQQV-NXEZZACHSA-N 1 1 180.226 1.099 10 0 ADAEMO N[C@@H]1CCc2cc(Cl)ccc2[C@H]1[NH3+] 39269586 169255708 /nfs/dbraw/zinc/25/57/08/169255708.db2.gz IXWMZTBEVSFFNO-NXEZZACHSA-N 1 1 196.681 1.613 10 0 ADAEMO [NH3+][C@@H]1CCc2[nH]c(C3CC3)nc2C1 76122978 169256107 /nfs/dbraw/zinc/25/61/07/169256107.db2.gz YKXLCBBMSSQAMZ-SSDOTTSWSA-N 1 1 177.251 1.103 10 0 ADAEMO [NH3+][C@@H]1COc2cc(Cl)ccc2C1=O 75068271 169256301 /nfs/dbraw/zinc/25/63/01/169256301.db2.gz DHQBREXGPYGWAA-SSDOTTSWSA-N 1 1 197.621 1.242 10 0 ADAEMO [NH3+][C@@H]1C[C@@H](c2ccc(F)cc2)OC1=O 57937477 169258263 /nfs/dbraw/zinc/25/82/63/169258263.db2.gz WXPRCCWKMPPBNE-BDAKNGLRSA-N 1 1 195.193 1.141 10 0 ADAEMO [NH3+][C@@H]1C[C@@H](c2cccs2)OC1=O 57936425 169258461 /nfs/dbraw/zinc/25/84/61/169258461.db2.gz QANAPWFWMLKONA-RITPCOANSA-N 1 1 183.232 1.063 10 0 ADAEMO [NH3+][C@@H]1C[C@H](c2cccs2)OC1=O 57936427 169258567 /nfs/dbraw/zinc/25/85/67/169258567.db2.gz QANAPWFWMLKONA-PHDIDXHHSA-N 1 1 183.232 1.063 10 0 ADAEMO [NH3+][C@@H]1C[C@H](c2ccc(F)cc2)OC1=O 57937479 169258880 /nfs/dbraw/zinc/25/88/80/169258880.db2.gz WXPRCCWKMPPBNE-RKDXNWHRSA-N 1 1 195.193 1.141 10 0 ADAEMO [NH3+][C@@H]1Cc2ccc(Cl)cc2C1=O 57936374 169259568 /nfs/dbraw/zinc/25/95/68/169259568.db2.gz KUCGNZDMJVUBIX-MRVPVSSYSA-N 1 1 181.622 1.406 10 0 ADAEMO [NH3+][C@@H]1OC2=C3CC=CC=C3C=C[C@H]2O1 45237487 169259983 /nfs/dbraw/zinc/25/99/83/169259983.db2.gz QHZZMEJFCAJCKS-KOLCDFICSA-N 1 1 189.214 1.354 10 0 ADAEMO [NH3+][C@@H]1OC2=C3CC=CC=C3C=C[C@@H]2O1 45237489 169259987 /nfs/dbraw/zinc/25/99/87/169259987.db2.gz QHZZMEJFCAJCKS-ONGXEEELSA-N 1 1 189.214 1.354 10 0 ADAEMO [NH3+][C@H](C(=O)NC1CC1)c1cccs1 77296038 169261779 /nfs/dbraw/zinc/26/17/79/169261779.db2.gz FWBYFBAPHWDQON-QMMMGPOBSA-N 1 1 196.275 1.027 10 0 ADAEMO [NH3+][C@H](CN1CCCC1)c1cc[nH]c1 71498055 169264695 /nfs/dbraw/zinc/26/46/95/169264695.db2.gz RGITUQIPIFDCSU-SNVBAGLBSA-N 1 1 179.267 1.110 10 0 ADAEMO [NH3+][C@H](CN1CCCC1)c1cccnc1 77276593 169264956 /nfs/dbraw/zinc/26/49/56/169264956.db2.gz KTRFDUIBRFJHGJ-LLVKDONJSA-N 1 1 191.278 1.177 10 0 ADAEMO [NH3+][C@H](CCO)c1nc2ccccc2o1 40710814 169265120 /nfs/dbraw/zinc/26/51/20/169265120.db2.gz FRTKCCMPCJXPPR-SSDOTTSWSA-N 1 1 192.218 1.210 10 0 ADAEMO [NH3+][C@H](CN1CCCCC1)c1cc[nH]c1 71506626 169265176 /nfs/dbraw/zinc/26/51/76/169265176.db2.gz YKBLCHXEVDFMFZ-LLVKDONJSA-N 1 1 193.294 1.500 10 0 ADAEMO [NH3+][C@H](CN1CCCC1)c1cccs1 19821515 169265474 /nfs/dbraw/zinc/26/54/74/169265474.db2.gz GVVJOXGMWIEFIA-SECBINFHSA-N 1 1 196.319 1.844 10 0 ADAEMO [NH3+][C@H](CN1CCCCC1)c1ccc[nH]1 77278487 169265620 /nfs/dbraw/zinc/26/56/20/169265620.db2.gz BGYHOXMRVAATOT-SNVBAGLBSA-N 1 1 193.294 1.500 10 0 ADAEMO [NH3+][C@H](CN1CCCC1)c1ccccn1 77276583 169265705 /nfs/dbraw/zinc/26/57/05/169265705.db2.gz ULTSKIPBWFIZLK-SNVBAGLBSA-N 1 1 191.278 1.177 10 0 ADAEMO N[C@H](C[NH+]1CCCC1)c1ccncc1 77276602 169265907 /nfs/dbraw/zinc/26/59/07/169265907.db2.gz CEKLUCUELGACPA-LLVKDONJSA-N 1 1 191.278 1.177 10 0 ADAEMO [NH3+][C@H](CO)c1nc2ccccc2s1 19435964 169266378 /nfs/dbraw/zinc/26/63/78/169266378.db2.gz KMQLZOLDUZDSFO-ZCFIWIBFSA-N 1 1 194.259 1.288 10 0 ADAEMO [NH3+][C@H](Cc1ccn[nH]1)c1ccccc1 54681419 169268007 /nfs/dbraw/zinc/26/80/07/169268007.db2.gz GXWCNCBSKKVUPR-LLVKDONJSA-N 1 1 187.246 1.652 10 0 ADAEMO [NH3+][C@H](Cc1cccs1)c1nnco1 83342278 169268299 /nfs/dbraw/zinc/26/82/99/169268299.db2.gz CRGNPIARYZYILS-SSDOTTSWSA-N 1 1 195.247 1.374 10 0 ADAEMO [NH3+][C@H](Cc1ccccc1)c1nnco1 19676442 169268407 /nfs/dbraw/zinc/26/84/07/169268407.db2.gz ZKFXTVIQAWKNSD-SECBINFHSA-N 1 1 189.218 1.312 10 0 ADAEMO N[C@H](c1ccco1)[C@H]([NH3+])c1ccco1 34455239 169269030 /nfs/dbraw/zinc/26/90/30/169269030.db2.gz PMRJEHDCSFMKQJ-NXEZZACHSA-N 1 1 192.218 1.572 10 0 ADAEMO [NH3+][C@H](c1nnco1)C1CCCCC1 83340630 169269156 /nfs/dbraw/zinc/26/91/56/169269156.db2.gz JTNXPEAEMADYQK-QMMMGPOBSA-N 1 1 181.239 1.650 10 0 ADAEMO [NH3+][C@H](c1cncnc1)c1ccco1 54446389 169269178 /nfs/dbraw/zinc/26/91/78/169269178.db2.gz OPDOULAOJAMZLA-SECBINFHSA-N 1 1 175.191 1.118 10 0 ADAEMO [NH3+][C@H](c1ccccc1)c1cnc[nH]1 88613767 169269195 /nfs/dbraw/zinc/26/91/95/169269195.db2.gz JLSUNRBFULQCJT-SNVBAGLBSA-N 1 1 173.219 1.458 10 0 in-vitro ADAEMO N[C@@H](c1ccco1)[C@H]([NH3+])c1ccco1 34455238 169269265 /nfs/dbraw/zinc/26/92/65/169269265.db2.gz PMRJEHDCSFMKQJ-AOOOYVTPSA-N 1 1 192.218 1.572 10 0 ADAEMO N[C@H](c1ccco1)[C@@H]([NH3+])c1ccco1 34455238 169269267 /nfs/dbraw/zinc/26/92/67/169269267.db2.gz PMRJEHDCSFMKQJ-AOOOYVTPSA-N 1 1 192.218 1.572 10 0 ADAEMO [NH3+][C@H](c1nnco1)C1CCCC1 83339875 169269336 /nfs/dbraw/zinc/26/93/36/169269336.db2.gz FCRTXDSSSFSMDM-ZETCQYMHSA-N 1 1 167.212 1.260 10 0 ADAEMO [NH3+][C@H](c1cnccn1)c1cccs1 19932694 169269347 /nfs/dbraw/zinc/26/93/47/169269347.db2.gz YFSZZGNOEQCRGC-SECBINFHSA-N 1 1 191.259 1.586 10 0 ADAEMO [NH3+][C@H](c1cn[nH]c1)c1ccco1 62777219 169269362 /nfs/dbraw/zinc/26/93/62/169269362.db2.gz NYTDJGYLRRWHEG-MRVPVSSYSA-N 1 1 163.180 1.051 10 0 ADAEMO [NH3+][C@H](c1cncc(F)c1)c1ccco1 54455901 169269365 /nfs/dbraw/zinc/26/93/65/169269365.db2.gz FFNCNIXAKQFFJK-SNVBAGLBSA-N 1 1 192.193 1.862 10 0 ADAEMO [NH3+][C@H](c1cccnc1)c1ccco1 8699695 169269417 /nfs/dbraw/zinc/26/94/17/169269417.db2.gz WKSVYHARTZDFLJ-SNVBAGLBSA-N 1 1 174.203 1.723 10 0 ADAEMO [NH3+][C@H](c1nnc(C=O)o1)C1CCCC1 83342247 169269434 /nfs/dbraw/zinc/26/94/34/169269434.db2.gz IIOQNCVJWNNBRV-QMMMGPOBSA-N 1 1 195.222 1.072 10 0 ADAEMO [NH3+][C@H](c1nc[nH]n1)C1CCCCC1 42040800 169269501 /nfs/dbraw/zinc/26/95/01/169269501.db2.gz VEHXVKLTSYSREJ-QMMMGPOBSA-N 1 1 180.255 1.385 10 0 ADAEMO [NH3+][C@H](c1ccncc1)c1nccs1 19930073 169269541 /nfs/dbraw/zinc/26/95/41/169269541.db2.gz NDNQTJNAUDDMIY-MRVPVSSYSA-N 1 1 191.259 1.586 10 0 ADAEMO [NH3+][C@H](c1ncc[nH]1)c1ccccc1F 75872473 169269682 /nfs/dbraw/zinc/26/96/82/169269682.db2.gz BHXHHUKYKZDVMU-VIFPVBQESA-N 1 1 191.209 1.597 10 0 ADAEMO [NH3+][C@H](c1ccoc1)c1ccco1 43606780 169269781 /nfs/dbraw/zinc/26/97/81/169269781.db2.gz SGSUKYYPBPGFKY-SECBINFHSA-N 1 1 163.176 1.921 10 0 ADAEMO [NH3+][C@H](c1ccc[nH]1)c1ccco1 11822519 169269870 /nfs/dbraw/zinc/26/98/70/169269870.db2.gz FBJXCCSONOBEOT-SECBINFHSA-N 1 1 162.192 1.656 10 0 ADAEMO [NH3+][C@H](c1ccc(F)cc1)c1ncon1 36762070 169270021 /nfs/dbraw/zinc/27/00/21/169270021.db2.gz YDOIWHNZPLLIFR-MRVPVSSYSA-N 1 1 193.181 1.257 10 0 ADAEMO [NH3+][C@H](c1ncno1)C1CCCCC1 40454135 169270105 /nfs/dbraw/zinc/27/01/05/169270105.db2.gz MMYOJTJCCQFTMO-QMMMGPOBSA-N 1 1 181.239 1.650 10 0 ADAEMO [NH3+][C@H](c1ccncc1)c1ccco1 8699677 169270179 /nfs/dbraw/zinc/27/01/79/169270179.db2.gz GLPAEIVGZGTOBM-SNVBAGLBSA-N 1 1 174.203 1.723 10 0 ADAEMO [NH3+][C@H](c1ccc2c(c1)CCO2)C(F)F 20475386 169270204 /nfs/dbraw/zinc/27/02/04/169270204.db2.gz IEOCXEFLWNBXHF-SECBINFHSA-N 1 1 199.200 1.886 10 0 ADAEMO [NH3+][C@H](c1cccnc1)c1nccs1 19929960 169270221 /nfs/dbraw/zinc/27/02/21/169270221.db2.gz PKWRSSCISGGXEO-MRVPVSSYSA-N 1 1 191.259 1.586 10 0 ADAEMO [NH3+][C@H]1CCCC[C@H]1c1ccn[nH]1 74339012 169271733 /nfs/dbraw/zinc/27/17/33/169271733.db2.gz FRRLPVJUUSUBQD-SFYZADRCSA-N 1 1 165.240 1.395 10 0 ADAEMO N[C@H]1CCC[NH2+][C@@H]1c1ccccc1 33961549 169271990 /nfs/dbraw/zinc/27/19/90/169271990.db2.gz GFMAFYNUQDLPBP-WDEREUQCSA-N 1 1 176.263 1.438 10 0 ADAEMO N[C@H]1CCCCC[C@@H]1[NH+]1CCCC1 23071986 169272060 /nfs/dbraw/zinc/27/20/60/169272060.db2.gz KHLZKKDYUYKWBL-QWRGUYRKSA-N 1 1 182.311 1.742 10 0 ADAEMO N[C@H]1CCC[NH2+][C@@H]1c1ccc(F)cc1 57489386 169272143 /nfs/dbraw/zinc/27/21/43/169272143.db2.gz RFWYLXGEHPBJHF-WDEREUQCSA-N 1 1 194.253 1.578 10 0 ADAEMO [NH3+][C@H]1CCCC[C@H]1n1cc(O)cn1 82395798 169272175 /nfs/dbraw/zinc/27/21/75/169272175.db2.gz JNCHMYDQKQMEKF-DTWKUNHWSA-N 1 1 181.239 1.031 10 0 ADAEMO N[C@H]1CCCC[C@H]1[NH+]1CCCC1 19271345 169272395 /nfs/dbraw/zinc/27/23/95/169272395.db2.gz FLEFKPPJPOWCSZ-VHSXEESVSA-N 1 1 168.284 1.352 10 0 ADAEMO [NH3+][C@H]1CCCC[C@@H]1c1ccn[nH]1 74339015 169272571 /nfs/dbraw/zinc/27/25/71/169272571.db2.gz FRRLPVJUUSUBQD-YUMQZZPRSA-N 1 1 165.240 1.395 10 0 ADAEMO [NH3+][C@H]1CCCC[C@@H]1n1cc(O)cn1 82395799 169272582 /nfs/dbraw/zinc/27/25/82/169272582.db2.gz JNCHMYDQKQMEKF-IUCAKERBSA-N 1 1 181.239 1.031 10 0 ADAEMO N[C@H]1CCC[NH2+][C@H]1c1ccc(F)cc1 57489389 169272629 /nfs/dbraw/zinc/27/26/29/169272629.db2.gz RFWYLXGEHPBJHF-QWRGUYRKSA-N 1 1 194.253 1.578 10 0 ADAEMO N[C@H]1CCCCC[C@H]1[NH+]1CCCC1 23071988 169272855 /nfs/dbraw/zinc/27/28/55/169272855.db2.gz KHLZKKDYUYKWBL-WDEREUQCSA-N 1 1 182.311 1.742 10 0 ADAEMO [NH3+][C@H]1CCC[C@@H](n2cc(O)cn2)C1 82395794 169273160 /nfs/dbraw/zinc/27/31/60/169273160.db2.gz VYLBXTQUYYTICY-JGVFFNPUSA-N 1 1 181.239 1.031 10 0 ADAEMO [NH3+][C@H]1CCCc2ccc3nc[nH]c3c21 75577855 169273199 /nfs/dbraw/zinc/27/31/99/169273199.db2.gz SSXIVGJTJOGNCJ-QMMMGPOBSA-N 1 1 187.246 1.899 10 0 ADAEMO [NH3+][C@H]1CCC[C@H](n2cc(O)cn2)C1 82395795 169273275 /nfs/dbraw/zinc/27/32/75/169273275.db2.gz VYLBXTQUYYTICY-YUMQZZPRSA-N 1 1 181.239 1.031 10 0 ADAEMO [NH3+][C@H]1CCC[C@H]1N1CCCCC1 19262390 169273445 /nfs/dbraw/zinc/27/34/45/169273445.db2.gz YBADGENJUNFOIO-VHSXEESVSA-N 1 1 168.284 1.352 10 0 ADAEMO [NH3+][C@H]1CCC[C@@H]1N1CCCCC1 19262386 169273801 /nfs/dbraw/zinc/27/38/01/169273801.db2.gz YBADGENJUNFOIO-UWVGGRQHSA-N 1 1 168.284 1.352 10 0 ADAEMO N[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 45630710 169274140 /nfs/dbraw/zinc/27/41/40/169274140.db2.gz BEVUZSWIVZXGQQ-QWRGUYRKSA-N 1 1 180.295 1.376 10 0 ADAEMO N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 57937454 169274780 /nfs/dbraw/zinc/27/47/80/169274780.db2.gz YULBMTQMCXKLTD-LBPRGKRZSA-N 1 1 194.322 1.910 10 0 ADAEMO N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 57937454 169274782 /nfs/dbraw/zinc/27/47/82/169274782.db2.gz YULBMTQMCXKLTD-LBPRGKRZSA-N 1 1 194.322 1.910 10 0 ADAEMO N[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 45630708 169275031 /nfs/dbraw/zinc/27/50/31/169275031.db2.gz BEVUZSWIVZXGQQ-MNOVXSKESA-N 1 1 180.295 1.376 10 0 ADAEMO N[C@H]1CCc2cc(Cl)ccc2[C@H]1[NH3+] 39269585 169275477 /nfs/dbraw/zinc/27/54/77/169275477.db2.gz IXWMZTBEVSFFNO-VHSXEESVSA-N 1 1 196.681 1.613 10 0 ADAEMO [NH3+][C@H]1CCc2[nH]c(C3CC3)nc2C1 76122977 169275523 /nfs/dbraw/zinc/27/55/23/169275523.db2.gz YKXLCBBMSSQAMZ-ZETCQYMHSA-N 1 1 177.251 1.103 10 0 ADAEMO N[C@H]1CCc2cc(F)ccc2[C@@H]1[NH3+] 39269599 169275693 /nfs/dbraw/zinc/27/56/93/169275693.db2.gz NIDILJJOTVEQQV-UWVGGRQHSA-N 1 1 180.226 1.099 10 0 ADAEMO N[C@H]1CCc2cc(F)ccc2[C@H]1[NH3+] 39269597 169275826 /nfs/dbraw/zinc/27/58/26/169275826.db2.gz NIDILJJOTVEQQV-VHSXEESVSA-N 1 1 180.226 1.099 10 0 ADAEMO N[C@H]1CCc2cc(Cl)ccc2[C@@H]1[NH3+] 39269587 169276319 /nfs/dbraw/zinc/27/63/19/169276319.db2.gz IXWMZTBEVSFFNO-UWVGGRQHSA-N 1 1 196.681 1.613 10 0 ADAEMO [NH3+][C@H]1COc2cc(Cl)ccc2C1=O 75068270 169276976 /nfs/dbraw/zinc/27/69/76/169276976.db2.gz DHQBREXGPYGWAA-ZETCQYMHSA-N 1 1 197.621 1.242 10 0 ADAEMO [NH3+][C@H]1C[C@H](c2ccc(F)cc2)OC1=O 57937475 169277902 /nfs/dbraw/zinc/27/79/02/169277902.db2.gz WXPRCCWKMPPBNE-DTWKUNHWSA-N 1 1 195.193 1.141 10 0 ADAEMO [NH3+][C@H]1C[C@@H](c2cccs2)OC1=O 57936420 169278014 /nfs/dbraw/zinc/27/80/14/169278014.db2.gz QANAPWFWMLKONA-WDSKDSINSA-N 1 1 183.232 1.063 10 0 ADAEMO [NH3+][C@H]1C[C@H](c2cccs2)OC1=O 57936422 169278439 /nfs/dbraw/zinc/27/84/39/169278439.db2.gz QANAPWFWMLKONA-NTSWFWBYSA-N 1 1 183.232 1.063 10 0 ADAEMO [NH3+][C@H]1C[C@@H](c2ccc(F)cc2)OC1=O 57937473 169278746 /nfs/dbraw/zinc/27/87/46/169278746.db2.gz WXPRCCWKMPPBNE-IUCAKERBSA-N 1 1 195.193 1.141 10 0 ADAEMO [NH3+][C@H]1OC2=C3CC=CC=C3C=C[C@@H]2O1 45237492 169278911 /nfs/dbraw/zinc/27/89/11/169278911.db2.gz QHZZMEJFCAJCKS-GXSJLCMTSA-N 1 1 189.214 1.354 10 0 ADAEMO [NH3+][C@H]1Cc2ccc(Cl)cc2C1=O 57936375 169279086 /nfs/dbraw/zinc/27/90/86/169279086.db2.gz KUCGNZDMJVUBIX-QMMMGPOBSA-N 1 1 181.622 1.406 10 0 ADAEMO [NH3+][C@H]1OC2=C3CC=CC=C3C=C[C@H]2O1 45237490 169279158 /nfs/dbraw/zinc/27/91/58/169279158.db2.gz QHZZMEJFCAJCKS-MWLCHTKSSA-N 1 1 189.214 1.354 10 0 ADAEMO N[C@H]1c2cccc(F)c2[C@H]2C[NH2+]C[C@H]21 96261709 169280747 /nfs/dbraw/zinc/28/07/47/169280747.db2.gz KIXUKMDCFHMIBG-RNSXUZJQSA-N 1 1 192.237 1.142 10 0 ADAEMO N[C@H]1c2cccc3cccc(c23)[C@H]1[NH3+] 62719367 169281325 /nfs/dbraw/zinc/28/13/25/169281325.db2.gz KLAJJYCQTUMBLP-TXEJJXNPSA-N 1 1 184.242 1.853 10 0 ADAEMO N[C@@H]1CCc2cc(F)ccc2[C@@H]1[NH3+] 39269600 169281712 /nfs/dbraw/zinc/28/17/12/169281712.db2.gz NIDILJJOTVEQQV-ZJUUUORDSA-N 1 1 180.226 1.099 10 0 ADAEMO N[C@@H]1CCc2cc(Cl)ccc2[C@@H]1[NH3+] 39269588 169281826 /nfs/dbraw/zinc/28/18/26/169281826.db2.gz IXWMZTBEVSFFNO-ZJUUUORDSA-N 1 1 196.681 1.613 10 0 ADAEMO Nc1c(O)c[nH+]cc1Cl 95773549 169282397 /nfs/dbraw/zinc/28/23/97/169282397.db2.gz XPGFZVAEYPVYAC-UHFFFAOYSA-N 1 1 144.561 1.023 10 0 ADAEMO Nc1c(Cl)c[nH+]cc1OC1CC1 95737434 169282511 /nfs/dbraw/zinc/28/25/11/169282511.db2.gz BWOFYGDIXJIQPF-UHFFFAOYSA-N 1 1 184.626 1.858 10 0 ADAEMO Nc1cc(-c2ccccc2)c[nH+]c1N 95761182 169283765 /nfs/dbraw/zinc/28/37/65/169283765.db2.gz DLVXNVUHNUJYLC-UHFFFAOYSA-N 1 1 185.230 1.913 10 0 ADAEMO Nc1cc(-c2ccncc2)c[nH+]c1N 39283842 169284312 /nfs/dbraw/zinc/28/43/12/169284312.db2.gz MGBFXCHIJVPISN-UHFFFAOYSA-N 1 1 186.218 1.308 10 0 ADAEMO Nc1cc(C=O)[nH+]cc1OC1CC1 95741760 169284884 /nfs/dbraw/zinc/28/48/84/169284884.db2.gz DDBUZSFBSKAABJ-UHFFFAOYSA-N 1 1 178.191 1.018 10 0 ADAEMO Nc1cc([C@H]2CCSC2)cc[nH+]1 72193290 169286755 /nfs/dbraw/zinc/28/67/55/169286755.db2.gz CHMOPFNEXPEZIM-QMMMGPOBSA-N 1 1 180.276 1.884 10 0 ADAEMO Nc1cc([C@H]2CCCOC2)cc[nH+]1 44122088 169287692 /nfs/dbraw/zinc/28/76/92/169287692.db2.gz ZPMATWRNMQMPAU-VIFPVBQESA-N 1 1 178.235 1.558 10 0 ADAEMO Nc1cc([C@@H]2CCCOC2)cc[nH+]1 44122083 169287731 /nfs/dbraw/zinc/28/77/31/169287731.db2.gz ZPMATWRNMQMPAU-SECBINFHSA-N 1 1 178.235 1.558 10 0 ADAEMO Nc1cc([C@@H]2CCSC2)cc[nH+]1 72193289 169287824 /nfs/dbraw/zinc/28/78/24/169287824.db2.gz CHMOPFNEXPEZIM-MRVPVSSYSA-N 1 1 180.276 1.884 10 0 ADAEMO Nc1cc(OC2CC2)c(C=O)c[nH+]1 95741609 169288009 /nfs/dbraw/zinc/28/80/09/169288009.db2.gz IAPLYPPCLYEHNQ-UHFFFAOYSA-N 1 1 178.191 1.018 10 0 ADAEMO Nc1cc2ccc[nH+]c2cc1N 39117934 169288483 /nfs/dbraw/zinc/28/84/83/169288483.db2.gz ZBXIQBCLORJSET-UHFFFAOYSA-N 1 1 159.192 1.399 10 0 ADAEMO Nc1cc2c(N)cccc2c[nH+]1 39119704 169289265 /nfs/dbraw/zinc/28/92/65/169289265.db2.gz DDVAMHFREWJVRC-UHFFFAOYSA-N 1 1 159.192 1.399 10 0 ADAEMO Nc1cc2ccc(O)cc2c[nH+]1 39119738 169289441 /nfs/dbraw/zinc/28/94/41/169289441.db2.gz PGGRQFJHWJUGKO-UHFFFAOYSA-N 1 1 160.176 1.523 10 0 ADAEMO Nc1ccc(-c2cc(N)cc[nH+]2)nc1 35569564 169289710 /nfs/dbraw/zinc/28/97/10/169289710.db2.gz NMDHNTARELAJBR-UHFFFAOYSA-N 1 1 186.218 1.308 10 0 ADAEMO Nc1ccc(-c2cc[nH+]c(N)c2)cc1 82729971 169290589 /nfs/dbraw/zinc/29/05/89/169290589.db2.gz ZAPDKYBWAZWDDT-UHFFFAOYSA-N 1 1 185.230 1.913 10 0 ADAEMO Nc1ccc(NC2CCOCC2)[nH+]c1 36319173 169292285 /nfs/dbraw/zinc/29/22/85/169292285.db2.gz BJNPVLXBDBKFAF-UHFFFAOYSA-N 1 1 193.250 1.255 10 0 ADAEMO Nc1ccc(N2C[C@H]3CC[C@@H]2C3)c[nH+]1 49716101 169292379 /nfs/dbraw/zinc/29/23/79/169292379.db2.gz PTLWGIUMOXVSTL-DTWKUNHWSA-N 1 1 189.262 1.653 10 0 ADAEMO Nc1ccc(NC[C@H]2CCOC2)c[nH+]1 61146676 169292446 /nfs/dbraw/zinc/29/24/46/169292446.db2.gz YIYUXZCVZQTMDQ-MRVPVSSYSA-N 1 1 193.250 1.112 10 0 ADAEMO Nc1ccc(NC[C@@H]2CCOC2)c[nH+]1 61146675 169292533 /nfs/dbraw/zinc/29/25/33/169292533.db2.gz YIYUXZCVZQTMDQ-QMMMGPOBSA-N 1 1 193.250 1.112 10 0 ADAEMO Nc1ccc(NCC2CC2)[nH+]c1 20381802 169292544 /nfs/dbraw/zinc/29/25/44/169292544.db2.gz QCWKRKYVWOEWEP-UHFFFAOYSA-N 1 1 163.224 1.486 10 0 ADAEMO Nc1ccc(NC[C@H]2CCCO2)[nH+]c1 19961600 169292685 /nfs/dbraw/zinc/29/26/85/169292685.db2.gz IBZYESZELBIEJB-SECBINFHSA-N 1 1 193.250 1.255 10 0 ADAEMO Nc1ccc(NC[C@@H]2CCCO2)[nH+]c1 19961596 169292714 /nfs/dbraw/zinc/29/27/14/169292714.db2.gz IBZYESZELBIEJB-VIFPVBQESA-N 1 1 193.250 1.255 10 0 ADAEMO Nc1ccc(NCc2ccco2)[nH+]c1 19952785 169292745 /nfs/dbraw/zinc/29/27/45/169292745.db2.gz QZRLQGPEEKMEKA-UHFFFAOYSA-N 1 1 189.218 1.869 10 0 ADAEMO Nc1ccc(NC[C@@H]2CCOC2)[nH+]c1 61146627 169292771 /nfs/dbraw/zinc/29/27/71/169292771.db2.gz JJTGFPXNZHAPPG-QMMMGPOBSA-N 1 1 193.250 1.112 10 0 ADAEMO Nc1ccc(NC[C@H]2CCCO2)c[nH+]1 19952931 169292773 /nfs/dbraw/zinc/29/27/73/169292773.db2.gz NLGNDFCLAZLLEJ-SECBINFHSA-N 1 1 193.250 1.255 10 0 ADAEMO Nc1ccc(N2C[C@H]3CC[C@@H]2C3)[nH+]c1 49716148 169292920 /nfs/dbraw/zinc/29/29/20/169292920.db2.gz JXYKPBCQOMGVIA-WCBMZHEXSA-N 1 1 189.262 1.653 10 0 ADAEMO Nc1ccc(NCC(F)(F)F)[nH+]c1 20383270 169293014 /nfs/dbraw/zinc/29/30/14/169293014.db2.gz FPFBOCHJJFVCDW-UHFFFAOYSA-N 1 1 191.156 1.638 10 0 ADAEMO Nc1ccc(NC2CC2)c[nH+]1 19952847 169293140 /nfs/dbraw/zinc/29/31/40/169293140.db2.gz WLANYAZPHMXYML-UHFFFAOYSA-N 1 1 149.197 1.238 10 0 ADAEMO Nc1ccc(NCC2CCC2)[nH+]c1 37180444 169293162 /nfs/dbraw/zinc/29/31/62/169293162.db2.gz PWIKGMQJCRXRQJ-UHFFFAOYSA-N 1 1 177.251 1.876 10 0 ADAEMO Nc1ccc(NC[C@@H]2CCCO2)c[nH+]1 19952927 169293199 /nfs/dbraw/zinc/29/31/99/169293199.db2.gz NLGNDFCLAZLLEJ-VIFPVBQESA-N 1 1 193.250 1.255 10 0 ADAEMO Nc1ccc(NCC2CCC2)c[nH+]1 37180426 169293218 /nfs/dbraw/zinc/29/32/18/169293218.db2.gz ICWONPRXGSBIOX-UHFFFAOYSA-N 1 1 177.251 1.876 10 0 ADAEMO Nc1ccc(NC[C@H]2CCOC2)[nH+]c1 61146628 169293220 /nfs/dbraw/zinc/29/32/20/169293220.db2.gz JJTGFPXNZHAPPG-MRVPVSSYSA-N 1 1 193.250 1.112 10 0 ADAEMO Nc1ccc(NCC2CC2)c[nH+]1 20381782 169293276 /nfs/dbraw/zinc/29/32/76/169293276.db2.gz CAJJZYINIFKQHL-UHFFFAOYSA-N 1 1 163.224 1.486 10 0 ADAEMO Nc1ccc(NCc2ccco2)c[nH+]1 19953012 169293281 /nfs/dbraw/zinc/29/32/81/169293281.db2.gz XHHMZTTZBSBQJC-UHFFFAOYSA-N 1 1 189.218 1.869 10 0 ADAEMO Nc1ccc(NC2CCC2)c[nH+]1 52207466 169293286 /nfs/dbraw/zinc/29/32/86/169293286.db2.gz GYGWUWKSKSQQNH-UHFFFAOYSA-N 1 1 163.224 1.628 10 0 ADAEMO Nc1ccc(NC2CCOCC2)c[nH+]1 36319188 169293358 /nfs/dbraw/zinc/29/33/58/169293358.db2.gz HDROJZIWTZQQST-UHFFFAOYSA-N 1 1 193.250 1.255 10 0 ADAEMO Nc1ccc([C@H]2CCCOC2)c[nH+]1 44122068 169293469 /nfs/dbraw/zinc/29/34/69/169293469.db2.gz LERXRGWLAZMUQE-VIFPVBQESA-N 1 1 178.235 1.558 10 0 ADAEMO Nc1ccc([C@H]2CCOC2)c[nH+]1 44121955 169293958 /nfs/dbraw/zinc/29/39/58/169293958.db2.gz VVBFZWHVVSVEKZ-QMMMGPOBSA-N 1 1 164.208 1.168 10 0 ADAEMO Nc1ccc([C@@H]2CCOC2)c[nH+]1 44121950 169294093 /nfs/dbraw/zinc/29/40/93/169294093.db2.gz VVBFZWHVVSVEKZ-MRVPVSSYSA-N 1 1 164.208 1.168 10 0 ADAEMO Nc1ccc([C@@H]2CCCOC2)c[nH+]1 44122064 169294142 /nfs/dbraw/zinc/29/41/42/169294142.db2.gz LERXRGWLAZMUQE-SECBINFHSA-N 1 1 178.235 1.558 10 0 ADAEMO Nc1ccc2c(c1)C[N@H+](CC1CC1)C2 36683608 169294418 /nfs/dbraw/zinc/29/44/18/169294418.db2.gz UXJGEESUAMXNOZ-UHFFFAOYSA-N 1 1 188.274 1.994 10 0 ADAEMO Nc1ccc2c(c1N)CCC[NH2+]2 39136118 169294490 /nfs/dbraw/zinc/29/44/90/169294490.db2.gz VITFOUZEIGGWMI-UHFFFAOYSA-N 1 1 163.224 1.209 10 0 ADAEMO Nc1ccc2c(c1)C1=NCCN1C=[NH+]2 105597509 169294883 /nfs/dbraw/zinc/29/48/83/169294883.db2.gz UQZKQARJNXPELA-UHFFFAOYSA-N 1 1 186.218 1.004 10 0 ADAEMO Nc1ccc2c[nH+]ccc2c1O 39119788 169295783 /nfs/dbraw/zinc/29/57/83/169295783.db2.gz QGBNLXMBXBKEEY-UHFFFAOYSA-N 1 1 160.176 1.523 10 0 ADAEMO Nc1cccc(CCc2[nH]cc[nH+]2)c1 78128400 169296248 /nfs/dbraw/zinc/29/62/48/169296248.db2.gz BCAJYSQAAMKALM-UHFFFAOYSA-N 1 1 187.246 1.777 10 0 ADAEMO Nc1cccc(C2CCOCC2)[nH+]1 44122014 169296480 /nfs/dbraw/zinc/29/64/80/169296480.db2.gz SPORSFQEAPPLMF-UHFFFAOYSA-N 1 1 178.235 1.558 10 0 ADAEMO Nc1cccc(Cc2[nH]cc[nH+]2)c1 82529277 169297126 /nfs/dbraw/zinc/29/71/26/169297126.db2.gz JAZDNULFTZOALN-UHFFFAOYSA-N 1 1 173.219 1.583 10 0 ADAEMO Nc1cccc2c1C[N@@H+](CC1CC1)C2 36683609 169297397 /nfs/dbraw/zinc/29/73/97/169297397.db2.gz KWGOPNHMBFUVLF-UHFFFAOYSA-N 1 1 188.274 1.994 10 0 ADAEMO Nc1cccc([C@@H]2CCOC2)[nH+]1 44121931 169297440 /nfs/dbraw/zinc/29/74/40/169297440.db2.gz BPUQUJYWUWFZBK-SSDOTTSWSA-N 1 1 164.208 1.168 10 0 ADAEMO Nc1cccc([C@H]2CCCOC2)[nH+]1 44122050 169297544 /nfs/dbraw/zinc/29/75/44/169297544.db2.gz VTZXKLNAYQBPCO-QMMMGPOBSA-N 1 1 178.235 1.558 10 0 ADAEMO Nc1cccc([C@@H]2CCCOC2)[nH+]1 44122046 169297551 /nfs/dbraw/zinc/29/75/51/169297551.db2.gz VTZXKLNAYQBPCO-MRVPVSSYSA-N 1 1 178.235 1.558 10 0 ADAEMO Nc1cccc([C@H]2CCOC2)[nH+]1 44121936 169297679 /nfs/dbraw/zinc/29/76/79/169297679.db2.gz BPUQUJYWUWFZBK-ZETCQYMHSA-N 1 1 164.208 1.168 10 0 ADAEMO Nc1cccc2c1NC=[NH+]C2 24627446 169297917 /nfs/dbraw/zinc/29/79/17/169297917.db2.gz LMEDRBUMEHITIN-UHFFFAOYSA-N 1 1 147.181 1.223 10 0 ADAEMO Nc1ccccc1Cc1[nH]cc[nH+]1 39615534 169298746 /nfs/dbraw/zinc/29/87/46/169298746.db2.gz KSKKEMJYPOUZKJ-UHFFFAOYSA-N 1 1 173.219 1.583 10 0 ADAEMO Nc1ccccc1CCc1[nH]cc[nH+]1 82530035 169298906 /nfs/dbraw/zinc/29/89/06/169298906.db2.gz KOBZVCBIRXUZJF-UHFFFAOYSA-N 1 1 187.246 1.777 10 0 ADAEMO Nc1cc[nH+]c(N2CCCCCC2)n1 44263721 169299156 /nfs/dbraw/zinc/29/91/56/169299156.db2.gz FYQOKHDFNQJSDT-UHFFFAOYSA-N 1 1 192.266 1.439 10 0 ADAEMO Nc1cc[nH+]c(-c2cnc(N)s2)c1 72204404 169299226 /nfs/dbraw/zinc/29/92/26/169299226.db2.gz BFRHQZORMHMLRE-UHFFFAOYSA-N 1 1 192.247 1.370 10 0 ADAEMO Nc1cc[nH+]c(C=O)c1OC1CC1 95741804 169299499 /nfs/dbraw/zinc/29/94/99/169299499.db2.gz SMIDFLXWANUOMY-UHFFFAOYSA-N 1 1 178.191 1.018 10 0 ADAEMO Nc1ccc[nH+]c1NCC1CCC1 37180436 169299789 /nfs/dbraw/zinc/29/97/89/169299789.db2.gz DHIORBJJERXPND-UHFFFAOYSA-N 1 1 177.251 1.876 10 0 ADAEMO Nc1ccc[nH+]c1NC[C@H]1CCOC1 61146652 169299832 /nfs/dbraw/zinc/29/98/32/169299832.db2.gz FMYHPOLQJDWIGW-MRVPVSSYSA-N 1 1 193.250 1.112 10 0 ADAEMO Nc1ccc[nH+]c1NC[C@@H]1CCOC1 61146651 169299890 /nfs/dbraw/zinc/29/98/90/169299890.db2.gz FMYHPOLQJDWIGW-QMMMGPOBSA-N 1 1 193.250 1.112 10 0 ADAEMO Nc1cc[nH+]c(-c2cccc(N)n2)c1 35569560 169299935 /nfs/dbraw/zinc/29/99/35/169299935.db2.gz YUFDXOCNMBTQQM-UHFFFAOYSA-N 1 1 186.218 1.308 10 0 ADAEMO Nc1ccc[nH+]c1NC1CCOCC1 36319176 169299989 /nfs/dbraw/zinc/29/99/89/169299989.db2.gz CMVZXKGKSMOKNL-UHFFFAOYSA-N 1 1 193.250 1.255 10 0 ADAEMO Nc1ccc[nH+]c1N1C[C@H]2CC[C@@H]1C2 49716139 169300095 /nfs/dbraw/zinc/30/00/95/169300095.db2.gz ZEHKKCCTUPPFAT-DTWKUNHWSA-N 1 1 189.262 1.653 10 0 ADAEMO Nc1cc[nH+]cc1-c1c[nH]ccc1=O 75577588 169300568 /nfs/dbraw/zinc/30/05/68/169300568.db2.gz GIVKFBHQAIAFDU-UHFFFAOYSA-N 1 1 187.202 1.019 10 0 ADAEMO Nc1cn2c([nH+]1)CCCCC2 82407954 169300648 /nfs/dbraw/zinc/30/06/48/169300648.db2.gz BPGXNKVLHDMUJN-UHFFFAOYSA-N 1 1 151.213 1.192 10 0 ADAEMO [NH3+]C1C=CSC1=O 59667387 169300850 /nfs/dbraw/zinc/30/08/50/169300850.db2.gz YWYZWLDOSVDTRX-UHFFFAOYSA-N 1 1 115.157 1.036 10 0 ADAEMO Nc1c[nH+]c2c(Cl)cc(F)cn12 82694283 169301750 /nfs/dbraw/zinc/30/17/50/169301750.db2.gz GNNNZYLEBHVYPR-UHFFFAOYSA-N 1 1 185.589 1.709 10 0 ADAEMO Nc1c[nH+]ccc1Nc1ccncc1 13281448 169302384 /nfs/dbraw/zinc/30/23/84/169302384.db2.gz IHGZOCSHQUFQCW-UHFFFAOYSA-N 1 1 186.218 1.802 10 0 ADAEMO Nc1cn[nH+]c(-c2ccccc2)c1N 34251110 169303827 /nfs/dbraw/zinc/30/38/27/169303827.db2.gz IOMUTGYJXHCTCF-UHFFFAOYSA-N 1 1 186.218 1.308 10 0 ADAEMO Nc1[nH+]c2cc3ccccc3cc2n1N 95923181 169306626 /nfs/dbraw/zinc/30/66/26/169306626.db2.gz ODHWNIRIAXWQPY-UHFFFAOYSA-N 1 1 198.229 1.486 10 0 ADAEMO Nc1[nH]c2cc3nc[nH]c3cc2[nH+]1 44787259 169306640 /nfs/dbraw/zinc/30/66/40/169306640.db2.gz KDUFQNDWPYMAFL-UHFFFAOYSA-N 1 1 173.179 1.021 10 0 ADAEMO Nc1[nH]c2cc3c(c(N)c2[nH+]1)CCC3 13649853 169307015 /nfs/dbraw/zinc/30/70/15/169307015.db2.gz FAMCKRCEJMZMLN-UHFFFAOYSA-N 1 1 188.234 1.216 10 0 ADAEMO Nc1[nH]c2c(-c3ccc[nH]3)nccc2[nH+]1 28705350 169307196 /nfs/dbraw/zinc/30/71/96/169307196.db2.gz BPADIXRUNSRDOT-UHFFFAOYSA-N 1 1 199.217 1.535 10 0 ADAEMO Nc1[nH]c2c(ccc3ncncc32)[nH+]1 95922883 169307636 /nfs/dbraw/zinc/30/76/36/169307636.db2.gz ABFXVKPRVUUZBT-UHFFFAOYSA-N 1 1 185.190 1.088 10 0 ADAEMO Nc1[nH]cc(C(=O)c2ccccc2)[nH+]1 196196819 169308258 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O=C1CC[N@@H+](C2CCCCCC2)C1 37240117 169373739 /nfs/dbraw/zinc/37/37/39/169373739.db2.gz WMAQSHHVTGGRFT-UHFFFAOYSA-N 1 1 181.279 1.984 10 0 ADAEMO O=C1CC[N@H+](C2CCCCCC2)C1 37240117 169373740 /nfs/dbraw/zinc/37/37/40/169373740.db2.gz WMAQSHHVTGGRFT-UHFFFAOYSA-N 1 1 181.279 1.984 10 0 ADAEMO O=C1CC[N@@H+](C2CCCCC2)C1 37240002 169373780 /nfs/dbraw/zinc/37/37/80/169373780.db2.gz RQYCVFQQRPZEML-UHFFFAOYSA-N 1 1 167.252 1.594 10 0 ADAEMO O=C1CC[N@H+](C2CCCCC2)C1 37240002 169373781 /nfs/dbraw/zinc/37/37/81/169373781.db2.gz RQYCVFQQRPZEML-UHFFFAOYSA-N 1 1 167.252 1.594 10 0 ADAEMO O=C1CC[N@H+](C[C@@H]2CC=CCC2)C1 45630690 169373841 /nfs/dbraw/zinc/37/38/41/169373841.db2.gz UOZCIJYYZOZYFP-SNVBAGLBSA-N 1 1 179.263 1.618 10 0 ADAEMO O=C1CC[N@@H+](C[C@@H]2CC=CCC2)C1 45630690 169373842 /nfs/dbraw/zinc/37/38/42/169373842.db2.gz UOZCIJYYZOZYFP-SNVBAGLBSA-N 1 1 179.263 1.618 10 0 ADAEMO O=C1CC[NH2+][C@@H](c2ccc(O)cc2)C1 82389676 169373856 /nfs/dbraw/zinc/37/38/56/169373856.db2.gz 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180.251 1.232 10 0 ADAEMO O=CN1CCCC[C@@H]1C1=[NH+]CCC1 31334954 169398679 /nfs/dbraw/zinc/39/86/79/169398679.db2.gz FBNJGSJNODLRSZ-SNVBAGLBSA-N 1 1 180.251 1.232 10 0 ADAEMO O=CNc1cc2nc[nH]c2cc1F 95922771 169399619 /nfs/dbraw/zinc/39/96/19/169399619.db2.gz XFOIAXAZABKLRJ-UHFFFAOYSA-N 1 1 179.154 1.270 10 0 ADAEMO OCC[N@H+]1CCCc2ccccc2C1 62944990 169427326 /nfs/dbraw/zinc/42/73/26/169427326.db2.gz GUTMNXXHNHSGLD-UHFFFAOYSA-N 1 1 191.274 1.427 10 0 ADAEMO Cc1cc(C(F)(F)C[NH3+])c(C)o1 137041315 343983306 /nfs/dbraw/zinc/98/33/06/343983306.db2.gz YRHKZBOLXIBMII-UHFFFAOYSA-N 1 1 175.178 1.947 10 0 ADAEMO O[C@@H]1CCCC[C@H]1[NH2+]CC(F)F 52014959 169444009 /nfs/dbraw/zinc/44/40/09/169444009.db2.gz NLNUFGMGNQICLN-RNFRBKRXSA-N 1 1 179.210 1.145 10 0 ADAEMO Cc1nn(C)c(C)c1C(F)(F)C[NH3+] 137044008 343983309 /nfs/dbraw/zinc/98/33/09/343983309.db2.gz DXYUJZWYDPTRLA-UHFFFAOYSA-N 1 1 189.209 1.087 10 0 ADAEMO O[C@H](Cc1[nH]cc[nH+]1)c1ccsc1 40261607 169449093 /nfs/dbraw/zinc/44/90/93/169449093.db2.gz HPZBQOBWABEYJO-MRVPVSSYSA-N 1 1 194.259 1.747 10 0 ADAEMO O[C@H]1CCCC[C@H]1[N@H+]1CCC=C(F)C1 334366371 169450780 /nfs/dbraw/zinc/45/07/80/169450780.db2.gz POUBFOYVVBAPNM-MNOVXSKESA-N 1 1 199.269 1.849 10 0 ADAEMO O[C@H]1CCCC[C@H]1[NH2+]CC(F)F 52014955 169451103 /nfs/dbraw/zinc/45/11/03/169451103.db2.gz NLNUFGMGNQICLN-RQJHMYQMSA-N 1 1 179.210 1.145 10 0 ADAEMO c1ccc(CNC[C@@H]2CC[NH2+]C2)cc1 62117062 169475788 /nfs/dbraw/zinc/47/57/88/169475788.db2.gz NMHQHNPNQWTQIP-GFCCVEGCSA-N 1 1 190.290 1.386 10 0 ADAEMO c1ccc2c(c1)OC[C@H]1OCC[NH2+][C@@H]21 75580156 169479580 /nfs/dbraw/zinc/47/95/80/169479580.db2.gz OBKRGSXABDXYFB-MNOVXSKESA-N 1 1 191.230 1.109 10 0 ADAEMO c1coc(-c2cnc3n2CC[NH2+]C3)c1 82390957 169484420 /nfs/dbraw/zinc/48/44/20/169484420.db2.gz SYSADHPHBDVFQI-UHFFFAOYSA-N 1 1 189.218 1.246 10 0 ADAEMO [NH3+]CC(F)(F)c1ccco1 137042758 343983322 /nfs/dbraw/zinc/98/33/22/343983322.db2.gz NXFMVVNUMGQVFT-UHFFFAOYSA-N 1 1 147.124 1.330 10 0 ADAEMO [NH3+]CC(F)(F)c1ccoc1 137039684 343983363 /nfs/dbraw/zinc/98/33/63/343983363.db2.gz CSYWVQHHDVAJFM-UHFFFAOYSA-N 1 1 147.124 1.330 10 0 ADAEMO C1CNC(=[NH+]OC2CCCC2)C1 136988139 343983374 /nfs/dbraw/zinc/98/33/74/343983374.db2.gz FYEVPGBUWFCCKU-UHFFFAOYSA-N 1 1 168.240 1.643 10 0 ADAEMO C[C@@H]1c2cc(N)ccc2CC[N@@H+]1C 137070146 343983820 /nfs/dbraw/zinc/98/38/20/343983820.db2.gz UCNUTVDLVFSOPG-MRVPVSSYSA-N 1 1 176.263 1.818 10 0 ADAEMO [NH3+]CC(F)(F)c1cncc(F)c1 137044732 343983823 /nfs/dbraw/zinc/98/38/23/343983823.db2.gz KDLDETAIJHWSRX-UHFFFAOYSA-N 1 1 176.141 1.271 10 0 ADAEMO CCN1C(=O)[C@@H](C(C)C)[NH2+][C@@H]1C(C)C 138852272 343991005 /nfs/dbraw/zinc/99/10/05/343991005.db2.gz OUGGQALPSUUBLL-ZJUUUORDSA-N 1 1 198.310 1.445 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1c1ncc[nH]1 142183557 344010984 /nfs/dbraw/zinc/01/09/84/344010984.db2.gz JGTPKFMIKHVERQ-VIFPVBQESA-N 1 1 179.267 1.955 10 0 ADAEMO C[C@@]1(Cc2ccccc2)CNCC[NH2+]1 145037434 344030824 /nfs/dbraw/zinc/03/08/24/344030824.db2.gz UGAFJDMQAKZJLK-GFCCVEGCSA-N 1 1 190.290 1.181 10 0 ADAEMO Cn1c[nH+]cc1[C@@H]1CCCC[C@@H]1O 144340452 344026209 /nfs/dbraw/zinc/02/62/09/344026209.db2.gz IMZIABMVYSAOMA-WPRPVWTQSA-N 1 1 180.251 1.439 10 0 ADAEMO NC(=[NH2+])c1cc2c(F)cc(F)cc2o1 145355777 344032732 /nfs/dbraw/zinc/03/27/32/344032732.db2.gz SGNFXOVZQATENM-UHFFFAOYSA-N 1 1 196.156 1.995 10 0 ADAEMO CC(C)[N@@H+]1CC[C@@]2(CCN(C)C2)C1 146048166 344038295 /nfs/dbraw/zinc/03/82/95/344038295.db2.gz IHMZHWLOOVNNHV-LLVKDONJSA-N 1 1 182.311 1.422 10 0 ADAEMO CC[NH+](CC)CC(=O)c1ccncc1 2524983 171006046 /nfs/dbraw/zinc/00/60/46/171006046.db2.gz ZCLNDHLPJYHUKD-UHFFFAOYSA-N 1 1 192.262 1.606 10 0 ADAEMO CC(=O)OC1C[C@@H]2CC[C@H](C1)[N@H+]2C 3613279 171009227 /nfs/dbraw/zinc/00/92/27/171009227.db2.gz MDIDMOWWLBGYPG-ULKQDVFKSA-N 1 1 183.251 1.175 10 0 biogenic,in-vitro ADAEMO CN1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 3734778 171010406 /nfs/dbraw/zinc/01/04/06/171010406.db2.gz JNYCBCGVMYGERE-MNOVXSKESA-N 1 1 182.311 1.470 10 0 ADAEMO CC[C@@H]1CC[N@H+]1CC 148240885 344052265 /nfs/dbraw/zinc/05/22/65/344052265.db2.gz BOKYNJQAQRHHTA-SSDOTTSWSA-N 1 1 113.204 1.491 10 0 ADAEMO [NH3+]C1=CCCCC1 5839934 171018140 /nfs/dbraw/zinc/01/81/40/171018140.db2.gz PSVJDFLPZZXFDU-UHFFFAOYSA-N 1 1 97.161 1.403 10 0 ADAEMO CC(C)[N@@H+](C)[C@@](C)(CN)C1CC1 35659449 171022128 /nfs/dbraw/zinc/02/21/28/171022128.db2.gz ZQTMOQJNZVQLME-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CC1(C)COC[C@@H](c2ccco2)[NH2+]1 11803386 171023582 /nfs/dbraw/zinc/02/35/82/171023582.db2.gz VYFTUAFOOTWYPY-QMMMGPOBSA-N 1 1 181.235 1.719 10 0 ADAEMO CC1(C)COC[C@H](c2ccco2)[NH2+]1 11803389 171023918 /nfs/dbraw/zinc/02/39/18/171023918.db2.gz VYFTUAFOOTWYPY-MRVPVSSYSA-N 1 1 181.235 1.719 10 0 ADAEMO CC(C)(C)Sc1ccc(NN)[nH+]n1 15829640 171029811 /nfs/dbraw/zinc/02/98/11/171029811.db2.gz QCBJDYVPJLUOGE-UHFFFAOYSA-N 1 1 198.295 1.653 10 0 ADAEMO CC[NH+](CC)[C@@H](CN)CCSC 37395721 171030066 /nfs/dbraw/zinc/03/00/66/171030066.db2.gz JHHCZLDEZFMZMM-SECBINFHSA-N 1 1 190.356 1.409 10 0 ADAEMO CC(C)OC(=O)C[NH2+]C1CCCC1 37394063 171030323 /nfs/dbraw/zinc/03/03/23/171030323.db2.gz FDUONRCQZQIOEQ-UHFFFAOYSA-N 1 1 185.267 1.470 10 0 ADAEMO C/C=C(/C)CN1CC[NH+](C)CC1 19360353 171033673 /nfs/dbraw/zinc/03/36/73/171033673.db2.gz ARPHXMDMCOJJRJ-WMZJFQQLSA-N 1 1 168.284 1.200 10 0 ADAEMO CN1CCC([NH3+])(C2CCCC2)CC1 19688818 171034848 /nfs/dbraw/zinc/03/48/48/171034848.db2.gz FTTVGTWYUGDGLO-UHFFFAOYSA-N 1 1 182.311 1.600 10 0 ADAEMO CN1CCC([NH3+])(C2CCCCC2)CC1 19688820 171035149 /nfs/dbraw/zinc/03/51/49/171035149.db2.gz FHCYGNPKHZWZQO-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO C[N@H+]1CCc2c(CO)csc2C1 19754910 171035687 /nfs/dbraw/zinc/03/56/87/171035687.db2.gz FLPUTQCKPHFYTE-UHFFFAOYSA-N 1 1 183.276 1.228 10 0 ADAEMO Cc1ccccc1[C@@H]1CNCC[N@H+]1C 20268268 171037420 /nfs/dbraw/zinc/03/74/20/171037420.db2.gz ZIIUQHVRVTYYEN-LBPRGKRZSA-N 1 1 190.290 1.571 10 0 ADAEMO Cc1ccccc1[C@@H]1CNCC[N@@H+]1C 20268268 171037422 /nfs/dbraw/zinc/03/74/22/171037422.db2.gz ZIIUQHVRVTYYEN-LBPRGKRZSA-N 1 1 190.290 1.571 10 0 ADAEMO C[C@H]1CCOc2cc[nH+]cc21 20972919 171040002 /nfs/dbraw/zinc/04/00/02/171040002.db2.gz HXPZXGXPGVRZIP-ZETCQYMHSA-N 1 1 149.193 1.968 10 0 ADAEMO CCNc1ccc(C)c[nH+]1 21503152 171040469 /nfs/dbraw/zinc/04/04/69/171040469.db2.gz KDXZKXYMRCPZBK-UHFFFAOYSA-N 1 1 136.198 1.822 10 0 ADAEMO C[N@@H+]1CC(C)(C)NC2(CCCC2)C1 22911265 171042742 /nfs/dbraw/zinc/04/27/42/171042742.db2.gz CCUJDRVTIKPLJO-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CN1CC(C)(C)[NH2+]C2(CCCC2)C1 22911265 171042745 /nfs/dbraw/zinc/04/27/45/171042745.db2.gz CCUJDRVTIKPLJO-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CCN(CC)[C@@H]1CCCCC[C@@H]1[NH3+] 23067503 171042841 /nfs/dbraw/zinc/04/28/41/171042841.db2.gz RRKMZVXKPONLNC-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO C[N@H+]1CCC[C@@H](F)C1 26176116 171044044 /nfs/dbraw/zinc/04/40/44/171044044.db2.gz ILKFXNHVQAQVMJ-ZCFIWIBFSA-N 1 1 117.167 1.050 10 0 ADAEMO C[N@H+]1CCC=C(c2csc(N)n2)C1 26938943 171045774 /nfs/dbraw/zinc/04/57/74/171045774.db2.gz NIYQDDWHZSGDEQ-UHFFFAOYSA-N 1 1 195.291 1.444 10 0 ADAEMO c1[nH]nc2c1CC[N@@H+]1CCCC[C@H]21 27712568 171046394 /nfs/dbraw/zinc/04/63/94/171046394.db2.gz FIWQPBGSTABWLI-SECBINFHSA-N 1 1 177.251 1.493 10 0 ADAEMO c1n[nH]c2c1CC[N@H+]1CCCC[C@H]21 27712568 171046398 /nfs/dbraw/zinc/04/63/98/171046398.db2.gz FIWQPBGSTABWLI-SECBINFHSA-N 1 1 177.251 1.493 10 0 ADAEMO c1n[nH]c2c1CC[N@@H+]1CCCC[C@H]21 27712568 171046399 /nfs/dbraw/zinc/04/63/99/171046399.db2.gz FIWQPBGSTABWLI-SECBINFHSA-N 1 1 177.251 1.493 10 0 ADAEMO c1[nH]nc2c1CC[N@@H+]1CCCC[C@@H]21 27712564 171046798 /nfs/dbraw/zinc/04/67/98/171046798.db2.gz FIWQPBGSTABWLI-VIFPVBQESA-N 1 1 177.251 1.493 10 0 ADAEMO c1n[nH]c2c1CC[N@H+]1CCCC[C@@H]21 27712564 171046799 /nfs/dbraw/zinc/04/67/99/171046799.db2.gz FIWQPBGSTABWLI-VIFPVBQESA-N 1 1 177.251 1.493 10 0 ADAEMO c1n[nH]c2c1CC[N@@H+]1CCCC[C@@H]21 27712564 171046800 /nfs/dbraw/zinc/04/68/00/171046800.db2.gz FIWQPBGSTABWLI-VIFPVBQESA-N 1 1 177.251 1.493 10 0 ADAEMO CC(C)OC(=O)C[NH+]1CCCCC1 39988861 171047573 /nfs/dbraw/zinc/04/75/73/171047573.db2.gz FXSBEEBIOBNYLF-UHFFFAOYSA-N 1 1 185.267 1.424 10 0 ADAEMO CC/C=C/[N@H+]1CCC[C@H](O)C1 206260187 171049218 /nfs/dbraw/zinc/04/92/18/171049218.db2.gz LNPVDKNIOXAHMV-SWTNXBIASA-N 1 1 155.241 1.367 10 0 ADAEMO NCC1([NH3+])CCCCCCC1 33878151 171052504 /nfs/dbraw/zinc/05/25/04/171052504.db2.gz JDPOGMLCKVQEPW-UHFFFAOYSA-N 1 1 156.273 1.387 10 0 ADAEMO N[C@@]1(C[NH3+])CCCc2ccccc21 34423362 171054993 /nfs/dbraw/zinc/05/49/93/171054993.db2.gz ACRKNWDSVDGHNB-LLVKDONJSA-N 1 1 176.263 1.136 10 0 ADAEMO [NH3+]CC(=O)c1cnc2ccccc2c1 67734104 171058210 /nfs/dbraw/zinc/05/82/10/171058210.db2.gz MWJNRASRRMHGCF-UHFFFAOYSA-N 1 1 186.214 1.376 10 0 ADAEMO CCCCCC[NH2+][C@@H](C)C(=O)OC 35041574 171058281 /nfs/dbraw/zinc/05/82/81/171058281.db2.gz JSZMNUNRBZQOIV-VIFPVBQESA-N 1 1 187.283 1.718 10 0 ADAEMO CN(C)c1[nH+]c2ccc(N)cc2n1C 35822643 171060235 /nfs/dbraw/zinc/06/02/35/171060235.db2.gz CFLGSXQNLPVSMG-UHFFFAOYSA-N 1 1 190.250 1.222 10 0 ADAEMO Cc1ccccc1[C@@H]([NH3+])c1ncon1 36761931 171061245 /nfs/dbraw/zinc/06/12/45/171061245.db2.gz SGEYEHSDKZWXOB-SECBINFHSA-N 1 1 189.218 1.426 10 0 ADAEMO Cc1ccccc1[C@H]([NH3+])c1ncon1 36761930 171061366 /nfs/dbraw/zinc/06/13/66/171061366.db2.gz SGEYEHSDKZWXOB-VIFPVBQESA-N 1 1 189.218 1.426 10 0 ADAEMO CCc1[nH]c(C2CC[NH2+]CC2)nc1C 36874253 171062499 /nfs/dbraw/zinc/06/24/99/171062499.db2.gz JQUOIEUTSRQCBU-UHFFFAOYSA-N 1 1 193.294 1.748 10 0 ADAEMO CC(C)c1ccnc(C[NH2+]C2CC2)n1 70951980 171064395 /nfs/dbraw/zinc/06/43/95/171064395.db2.gz MPSMNNGOBJOEBN-UHFFFAOYSA-N 1 1 191.278 1.852 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1ccc(N)nc1 37628683 171065085 /nfs/dbraw/zinc/06/50/85/171065085.db2.gz QGHDOCHBMQRMLQ-SNVBAGLBSA-N 1 1 191.278 1.821 10 0 ADAEMO Cc1ccccc1C[C@@H](N)C[NH+](C)C 71506216 171065405 /nfs/dbraw/zinc/06/54/05/171065405.db2.gz XMKNHDVEBMAKJC-GFCCVEGCSA-N 1 1 192.306 1.426 10 0 ADAEMO Cc1ccccc1C[C@H](N)C[NH+](C)C 71506215 171065677 /nfs/dbraw/zinc/06/56/77/171065677.db2.gz XMKNHDVEBMAKJC-LBPRGKRZSA-N 1 1 192.306 1.426 10 0 ADAEMO CCOC(=O)C[C@@H]1CCC[N@@H+](CC)C1 73652164 171066234 /nfs/dbraw/zinc/06/62/34/171066234.db2.gz LOVMSOREDNGLPW-JTQLQIEISA-N 1 1 199.294 1.672 10 0 ADAEMO CC/C=C/Cc1noc(C[NH3+])n1 73640766 171066290 /nfs/dbraw/zinc/06/62/90/171066290.db2.gz VMEPUXIPJKEBEL-ONEGZZNKSA-N 1 1 167.212 1.037 10 0 ADAEMO CCCc1[nH]cc(CC)[nH+]1 38886269 171070417 /nfs/dbraw/zinc/07/04/17/171070417.db2.gz MVWLYVZXKXPSLQ-UHFFFAOYSA-N 1 1 138.214 1.925 10 0 ADAEMO COC1=C[C@H](C)[N@@H+](C)C1(C)C 39080704 171073435 /nfs/dbraw/zinc/07/34/35/171073435.db2.gz JJPQBCMAVNISSW-ZETCQYMHSA-N 1 1 155.241 1.629 10 0 ADAEMO C1C[N@@H+]2CC[C@]23CC[C@H]13 39073659 171073447 /nfs/dbraw/zinc/07/34/47/171073447.db2.gz UBVGPGMGPBDSJF-SFYZADRCSA-N 1 1 123.199 1.245 10 0 ADAEMO C[N@H+]1CCC=C2C=CC=C21 39078020 171073624 /nfs/dbraw/zinc/07/36/24/171073624.db2.gz FHAMXUUUTXIMID-UHFFFAOYSA-N 1 1 133.194 1.702 10 0 ADAEMO C1C[N@@H+]2CC[C@@H]3C[C@@]32C1 39073696 171073631 /nfs/dbraw/zinc/07/36/31/171073631.db2.gz JDABNWGKNAHHCR-SFYZADRCSA-N 1 1 123.199 1.245 10 0 ADAEMO C1C[N@@H+]2CC[C@H]3C[C@]32C1 39073695 171073764 /nfs/dbraw/zinc/07/37/64/171073764.db2.gz JDABNWGKNAHHCR-JGVFFNPUSA-N 1 1 123.199 1.245 10 0 ADAEMO COC1=C[C@@H](C)[N@@H+](C)C1(C)C 39080702 171073848 /nfs/dbraw/zinc/07/38/48/171073848.db2.gz JJPQBCMAVNISSW-SSDOTTSWSA-N 1 1 155.241 1.629 10 0 ADAEMO C1C[N@@H+]2CC[C@@]23CC[C@@H]13 39073656 171073856 /nfs/dbraw/zinc/07/38/56/171073856.db2.gz UBVGPGMGPBDSJF-JGVFFNPUSA-N 1 1 123.199 1.245 10 0 ADAEMO C[N@H+]1CCc2c(F)cccc2C1 39088227 171074456 /nfs/dbraw/zinc/07/44/56/171074456.db2.gz DVEOSCCQOZDXRJ-UHFFFAOYSA-N 1 1 165.211 1.814 10 0 ADAEMO C/C=C/C(C)=C/N1CC[NH+](C)CC1 39114240 171075420 /nfs/dbraw/zinc/07/54/20/171075420.db2.gz AJBPEIOSORDDRS-PMXBNEBOSA-N 1 1 180.295 1.714 10 0 ADAEMO C[N@H+]1CCC=C(c2ccno2)C1 39113158 171075514 /nfs/dbraw/zinc/07/55/14/171075514.db2.gz FRLKCZOUYILSOX-UHFFFAOYSA-N 1 1 164.208 1.394 10 0 ADAEMO C/C=C/C(C)=C\N1CC[NH+](C)CC1 39114241 171075672 /nfs/dbraw/zinc/07/56/72/171075672.db2.gz AJBPEIOSORDDRS-MQZVTSARSA-N 1 1 180.295 1.714 10 0 ADAEMO CN1C(C)(C)C[NH+](C)CC1(C)C 39113796 171075680 /nfs/dbraw/zinc/07/56/80/171075680.db2.gz DXNKOCJWMTXRIK-UHFFFAOYSA-N 1 1 170.300 1.421 10 0 ADAEMO CNc1ccc(N(C)C)[nH+]c1 39134907 171076593 /nfs/dbraw/zinc/07/65/93/171076593.db2.gz PZIKBYIERKNRFH-UHFFFAOYSA-N 1 1 151.213 1.189 10 0 ADAEMO FC(F)(F)c1nc2c([nH]1)C[NH2+]C2 39132545 171077128 /nfs/dbraw/zinc/07/71/28/171077128.db2.gz NUMWDUZBMFQOGA-UHFFFAOYSA-N 1 1 177.129 1.032 10 0 ADAEMO Nc1c(C=O)c[nH+]c2ccccc12 39212305 171077740 /nfs/dbraw/zinc/07/77/40/171077740.db2.gz HPGFJXMUEPXRRI-UHFFFAOYSA-N 1 1 172.187 1.630 10 0 ADAEMO C[N@H+]1CCC=CC1(C)C 39073822 171078820 /nfs/dbraw/zinc/07/88/20/171078820.db2.gz AGXJVIASQWYYGF-UHFFFAOYSA-N 1 1 125.215 1.657 10 0 ADAEMO Cc1ccccc1[C@@H](C(N)=O)[NH+](C)C 39408421 171079090 /nfs/dbraw/zinc/07/90/90/171079090.db2.gz VPDOSNJPTNTAGZ-JTQLQIEISA-N 1 1 192.262 1.083 10 0 ADAEMO CN1CC(C)(C)[NH2+]C(C)(C)C1 39779846 171079393 /nfs/dbraw/zinc/07/93/93/171079393.db2.gz ZZCKEYHKCYUAIR-UHFFFAOYSA-N 1 1 156.273 1.079 10 0 ADAEMO Cc1ccccc1N1C=[NH+]CC1 39081391 171080221 /nfs/dbraw/zinc/08/02/21/171080221.db2.gz RPNQVCXMPGHQPH-UHFFFAOYSA-N 1 1 160.220 1.843 10 0 ADAEMO [NH3+]CC(=O)OC1CCCCCC1 40954518 171081541 /nfs/dbraw/zinc/08/15/41/171081541.db2.gz LYHJUOUWBNGNFU-UHFFFAOYSA-N 1 1 171.240 1.211 10 0 ADAEMO CCC[NH2+][C@@H](C(=O)OC)C(C)(C)C 41051798 171082263 /nfs/dbraw/zinc/08/22/63/171082263.db2.gz MRBBWJUNGRPUAJ-QMMMGPOBSA-N 1 1 187.283 1.574 10 0 ADAEMO C[N@H+]1CCC[C@@H](Nc2ccccn2)C1 41043339 171082288 /nfs/dbraw/zinc/08/22/88/171082288.db2.gz ZZKXKDBDQBOQCB-SNVBAGLBSA-N 1 1 191.278 1.588 10 0 ADAEMO CCN(CC)[C@@H](C)[C@@H](C)[NH3+] 41053713 171082404 /nfs/dbraw/zinc/08/24/04/171082404.db2.gz FNDKGCBYNXFXQZ-SFYZADRCSA-N 1 1 144.262 1.064 10 0 ADAEMO CCN(CC)[C@@H](C)[C@H](C)[NH3+] 41053715 171082463 /nfs/dbraw/zinc/08/24/63/171082463.db2.gz FNDKGCBYNXFXQZ-YUMQZZPRSA-N 1 1 144.262 1.064 10 0 ADAEMO c1nn[n-]c1C[NH2+]C1CCCCCC1 41050769 171082691 /nfs/dbraw/zinc/08/26/91/171082691.db2.gz TVNYDLXODAITJQ-UHFFFAOYSA-N 1 1 194.282 1.617 10 0 ADAEMO Cc1ccccc1[C@@H]1CC(=O)CC[NH2+]1 41204502 171082994 /nfs/dbraw/zinc/08/29/94/171082994.db2.gz XUUKDXJSGZQCPR-LBPRGKRZSA-N 1 1 189.258 1.989 10 0 ADAEMO Cc1ccccc1[C@H]1CC(=O)CC[NH2+]1 41204504 171083389 /nfs/dbraw/zinc/08/33/89/171083389.db2.gz XUUKDXJSGZQCPR-GFCCVEGCSA-N 1 1 189.258 1.989 10 0 ADAEMO c1ccc([C@@H]2CN3CC[NH+]2CC3)cc1 39115325 171084207 /nfs/dbraw/zinc/08/42/07/171084207.db2.gz FCCQUKLZAKFQEK-LBPRGKRZSA-N 1 1 188.274 1.359 10 0 ADAEMO c1ccc([C@@H]2C[NH+]3CCN2CC3)cc1 39115325 171084210 /nfs/dbraw/zinc/08/42/10/171084210.db2.gz FCCQUKLZAKFQEK-LBPRGKRZSA-N 1 1 188.274 1.359 10 0 ADAEMO [NH3+]C1(c2nc[nH]n2)CCCCCC1 42040684 171084674 /nfs/dbraw/zinc/08/46/74/171084674.db2.gz YWQQVIMYLLKDOG-UHFFFAOYSA-N 1 1 180.255 1.313 10 0 ADAEMO CC1(C)COCC[N@H+]1[C@@H]1CCC[C@@H]1O 42462740 171085465 /nfs/dbraw/zinc/08/54/65/171085465.db2.gz XTWPBGCUYBAAIX-ZJUUUORDSA-N 1 1 199.294 1.011 10 0 ADAEMO CC1(C)COCC[N@H+]1[C@H]1CCC[C@@H]1O 42462742 171085958 /nfs/dbraw/zinc/08/59/58/171085958.db2.gz XTWPBGCUYBAAIX-UWVGGRQHSA-N 1 1 199.294 1.011 10 0 ADAEMO [NH3+]C1CCN(CCc2ccco2)CC1 42590223 171086236 /nfs/dbraw/zinc/08/62/36/171086236.db2.gz RVMCYKITPVHUET-UHFFFAOYSA-N 1 1 194.278 1.245 10 0 ADAEMO Cc1cc[nH+]c(N2CCC[C@H]2CO)c1 43561850 171088177 /nfs/dbraw/zinc/08/81/77/171088177.db2.gz ADYDYYONLOGMLE-JTQLQIEISA-N 1 1 192.262 1.351 10 0 ADAEMO [NH3+]CC1(Cc2nc[nH]n2)CCCCC1 43413943 171088216 /nfs/dbraw/zinc/08/82/16/171088216.db2.gz HOFUHXNNAPJTMT-UHFFFAOYSA-N 1 1 194.282 1.256 10 0 ADAEMO Cc1cc[nH+]c(N2CCC[C@@H]2CO)c1 43561849 171088225 /nfs/dbraw/zinc/08/82/25/171088225.db2.gz ADYDYYONLOGMLE-SNVBAGLBSA-N 1 1 192.262 1.351 10 0 ADAEMO CC(=O)C[C@@H]1CCC[N@H+](C)C1 44491576 171090677 /nfs/dbraw/zinc/09/06/77/171090677.db2.gz FCSIGUJMODLKOE-VIFPVBQESA-N 1 1 155.241 1.307 10 0 ADAEMO C[N@H+]1CCC[C@@H](Cn2cccc2)C1 44538621 171090791 /nfs/dbraw/zinc/09/07/91/171090791.db2.gz JFWZSXFALQBQLI-LLVKDONJSA-N 1 1 178.279 1.830 10 0 ADAEMO CC1(C)C[C@H]1[NH+]1CCC(=O)CC1 45135269 171091558 /nfs/dbraw/zinc/09/15/58/171091558.db2.gz DPSIWLAIEODVIJ-SECBINFHSA-N 1 1 167.252 1.450 10 0 ADAEMO CC1(C)C[C@@H]1[N@H+]1CC[C@H](C[NH3+])C1 45135398 171091577 /nfs/dbraw/zinc/09/15/77/171091577.db2.gz STSQPEYBLHDWGX-BDAKNGLRSA-N 1 1 168.284 1.066 10 0 ADAEMO CC1(C)C[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 45135399 171091673 /nfs/dbraw/zinc/09/16/73/171091673.db2.gz STSQPEYBLHDWGX-RKDXNWHRSA-N 1 1 168.284 1.066 10 0 ADAEMO CC1(C)C[C@@H]1[NH+]1CCC(=O)CC1 45135268 171091790 /nfs/dbraw/zinc/09/17/90/171091790.db2.gz DPSIWLAIEODVIJ-VIFPVBQESA-N 1 1 167.252 1.450 10 0 ADAEMO CC1(C)C[C@@H]1N1CCC[NH2+]CCC1 45136738 171092036 /nfs/dbraw/zinc/09/20/36/171092036.db2.gz KTJGADVOYFVYCN-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CN(C)c1[nH]c2c(N)cccc2[nH+]1 45238638 171092124 /nfs/dbraw/zinc/09/21/24/171092124.db2.gz LQBCXBVDPPCWDE-UHFFFAOYSA-N 1 1 176.223 1.211 10 0 ADAEMO [NH3+]CC(=O)c1nc2ccccc2s1 45236931 171092236 /nfs/dbraw/zinc/09/22/36/171092236.db2.gz PFVQXTXISSEQRT-UHFFFAOYSA-N 1 1 192.243 1.438 10 0 ADAEMO C[N@@H+]1CCc2cc(C=O)sc2C1 45205998 171092349 /nfs/dbraw/zinc/09/23/49/171092349.db2.gz QSLYIONTCMQYPR-UHFFFAOYSA-N 1 1 181.260 1.549 10 0 ADAEMO C[N@H+]1CCc2cc(C=O)sc2C1 45205998 171092350 /nfs/dbraw/zinc/09/23/50/171092350.db2.gz QSLYIONTCMQYPR-UHFFFAOYSA-N 1 1 181.260 1.549 10 0 ADAEMO CC1(C)C[C@@H]1[N@@H+]1CCCNCC1 45136712 171092559 /nfs/dbraw/zinc/09/25/59/171092559.db2.gz LEWIUVPGDSAGOC-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO CC1(C)C[C@@H]1[N@H+]1CCCNCC1 45136712 171092561 /nfs/dbraw/zinc/09/25/61/171092561.db2.gz LEWIUVPGDSAGOC-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO CC1(C)C[C@H]1[N@@H+]1CCCNCC1 45136713 171092606 /nfs/dbraw/zinc/09/26/06/171092606.db2.gz LEWIUVPGDSAGOC-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO CC1(C)C[C@H]1[N@H+]1CCCNCC1 45136713 171092607 /nfs/dbraw/zinc/09/26/07/171092607.db2.gz LEWIUVPGDSAGOC-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO CC1(C)C[C@H]1N1CCC[NH2+]CCC1 45136739 171092690 /nfs/dbraw/zinc/09/26/90/171092690.db2.gz KTJGADVOYFVYCN-SNVBAGLBSA-N 1 1 182.311 1.470 10 0 ADAEMO C[NH+]1CCC(NCc2ccc[nH]2)CC1 48436594 171094290 /nfs/dbraw/zinc/09/42/90/171094290.db2.gz CVVNOFCGDTVKSB-UHFFFAOYSA-N 1 1 193.294 1.199 10 0 ADAEMO CC1(C)CO[C@H](c2ccco2)[NH2+]1 49804872 171094941 /nfs/dbraw/zinc/09/49/41/171094941.db2.gz HLYMZNAWVAKJJG-MRVPVSSYSA-N 1 1 167.208 1.677 10 0 ADAEMO CC1(C)CO[C@H](c2ccccn2)[NH2+]1 49805434 171094958 /nfs/dbraw/zinc/09/49/58/171094958.db2.gz ROYVIBKVLAJTBR-SECBINFHSA-N 1 1 178.235 1.479 10 0 ADAEMO CC1(C)CO[C@@H](c2ccccn2)[NH2+]1 49805435 171095007 /nfs/dbraw/zinc/09/50/07/171095007.db2.gz ROYVIBKVLAJTBR-VIFPVBQESA-N 1 1 178.235 1.479 10 0 ADAEMO NCC1(C[NH+]2CCCCC2)CCCC1 49811667 171095028 /nfs/dbraw/zinc/09/50/28/171095028.db2.gz ZKKMLGMMUFAKFI-UHFFFAOYSA-N 1 1 196.338 1.991 10 0 ADAEMO Oc1cccc([C@H]2[NH2+]CCCO2)c1 49805504 171095118 /nfs/dbraw/zinc/09/51/18/171095118.db2.gz LUDUUDNXKBKCGA-JTQLQIEISA-N 1 1 179.219 1.401 10 0 ADAEMO Cc1ccccc1OC(=O)[C@@H](C)[NH3+] 49805516 171095121 /nfs/dbraw/zinc/09/51/21/171095121.db2.gz NNUDYEVELREZHI-MRVPVSSYSA-N 1 1 179.219 1.248 10 0 ADAEMO Cc1ccccc1OC(=O)[C@H](C)[NH3+] 49805517 171095140 /nfs/dbraw/zinc/09/51/40/171095140.db2.gz NNUDYEVELREZHI-QMMMGPOBSA-N 1 1 179.219 1.248 10 0 ADAEMO NCC1(C[NH+]2CCCCCC2)CC1 49805792 171095146 /nfs/dbraw/zinc/09/51/46/171095146.db2.gz GVSMNVSRKAEGES-UHFFFAOYSA-N 1 1 182.311 1.601 10 0 ADAEMO NCC1(C[NH+]2CCCC2)CCCCC1 49811666 171095159 /nfs/dbraw/zinc/09/51/59/171095159.db2.gz CUFFWWOODMUPAK-UHFFFAOYSA-N 1 1 196.338 1.991 10 0 ADAEMO NCC1(C[NH+]2CCCC2)CCCC1 49805790 171095284 /nfs/dbraw/zinc/09/52/84/171095284.db2.gz VPNCNDFTHAGPAU-UHFFFAOYSA-N 1 1 182.311 1.601 10 0 ADAEMO CC1(C)CO[C@@H](c2ccco2)[NH2+]1 49804873 171095297 /nfs/dbraw/zinc/09/52/97/171095297.db2.gz HLYMZNAWVAKJJG-QMMMGPOBSA-N 1 1 167.208 1.677 10 0 ADAEMO Oc1cccc([C@@H]2[NH2+]CCCO2)c1 49805503 171095326 /nfs/dbraw/zinc/09/53/26/171095326.db2.gz LUDUUDNXKBKCGA-SNVBAGLBSA-N 1 1 179.219 1.401 10 0 ADAEMO CC(C)(C)C(=O)C[N@H+](CCO)C1CC1 50158228 171095694 /nfs/dbraw/zinc/09/56/94/171095694.db2.gz ATGCKVQQOGCPTG-UHFFFAOYSA-N 1 1 199.294 1.058 10 0 ADAEMO CC(C)(C)C(=O)C[N@@H+](CCO)C1CC1 50158228 171095700 /nfs/dbraw/zinc/09/57/00/171095700.db2.gz ATGCKVQQOGCPTG-UHFFFAOYSA-N 1 1 199.294 1.058 10 0 ADAEMO CCCc1nnc(C[NH2+]C2CC2)o1 50616221 171096527 /nfs/dbraw/zinc/09/65/27/171096527.db2.gz SRBGMWCAPYRHPX-UHFFFAOYSA-N 1 1 181.239 1.274 10 0 ADAEMO CCOC(=[NH2+])C1CCOCC1 52176027 171097583 /nfs/dbraw/zinc/09/75/83/171097583.db2.gz BWDPTIYUGYJUAU-UHFFFAOYSA-N 1 1 157.213 1.427 10 0 ADAEMO CC[C@@H]1CCN(C2CCC2)CC[NH2+]1 52213779 171097837 /nfs/dbraw/zinc/09/78/37/171097837.db2.gz ZKPRUSUCJHKLMY-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO 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190.290 1.747 10 0 ADAEMO C[C@H]1CC[C@@H](C)[N@H+]1CC(C)(C)N 59569581 171101637 /nfs/dbraw/zinc/10/16/37/171101637.db2.gz GNKLIOFNPOFENA-DTORHVGOSA-N 1 1 170.300 1.597 10 0 ADAEMO Cc1ccccc1[C@@H]1[NH2+]CCC[C@H]1N 58521337 171101656 /nfs/dbraw/zinc/10/16/56/171101656.db2.gz IGVZUZWGRQYQCH-NEPJUHHUSA-N 1 1 190.290 1.747 10 0 ADAEMO CC(C)C[C@H]1C[N@@H+](C)CCC[NH2+]1 62566635 171103209 /nfs/dbraw/zinc/10/32/09/171103209.db2.gz XOPAQNPHBGVEDQ-JTQLQIEISA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)C[C@H]1CN(C)CCC[NH2+]1 62566635 171103211 /nfs/dbraw/zinc/10/32/11/171103211.db2.gz XOPAQNPHBGVEDQ-JTQLQIEISA-N 1 1 170.300 1.326 10 0 ADAEMO CNc1ccc(N2CCCC2)[nH+]c1 62796772 171103909 /nfs/dbraw/zinc/10/39/09/171103909.db2.gz QRDLOFNXIUCUTP-UHFFFAOYSA-N 1 1 177.251 1.724 10 0 ADAEMO c1c[nH+]c(N2CCCC2)[nH]1 64033556 171104180 /nfs/dbraw/zinc/10/41/80/171104180.db2.gz CPTAEJISPBQEKA-UHFFFAOYSA-N 1 1 137.186 1.010 10 0 ADAEMO C[N@@H+]1CCc2c(C=O)cccc2C1 66351433 171104894 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POGHRXQDONSWEI-MWLCHTKSSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H]1CN[C@H](C)C[N@H+]1CC1(C)CC1 235352202 344745534 /nfs/dbraw/zinc/74/55/34/344745534.db2.gz FFWJIBNURUDXFQ-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[NH2+][C@H](C)CN1CC1(C)CC1 235352202 344745535 /nfs/dbraw/zinc/74/55/35/344745535.db2.gz FFWJIBNURUDXFQ-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1N 235360932 344746085 /nfs/dbraw/zinc/74/60/85/344746085.db2.gz ANUIIYMVUBAMCJ-SCZZXKLOSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1N 235360932 344746086 /nfs/dbraw/zinc/74/60/86/344746086.db2.gz ANUIIYMVUBAMCJ-SCZZXKLOSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)C[C@@H]1N 235364022 344746239 /nfs/dbraw/zinc/74/62/39/344746239.db2.gz SIWCACPUPHOQRI-MXWKQRLJSA-N 1 1 180.295 1.374 10 0 ADAEMO C[C@H]([NH3+])c1ncc(-c2cncs2)o1 235510885 344752327 /nfs/dbraw/zinc/75/23/27/344752327.db2.gz DHIDZUFYGUIDGY-YFKPBYRVSA-N 1 1 195.247 1.818 10 0 ADAEMO C[C@H]1OCC[C@]1(C)[NH+]1CCC(=O)CC1 235599354 344758290 /nfs/dbraw/zinc/75/82/90/344758290.db2.gz HDLAKHCTXRYCFQ-KOLCDFICSA-N 1 1 197.278 1.219 10 0 ADAEMO C[C@H]1CCCN[C@H]1C[NH2+]C1CCCC1 235594417 344758370 /nfs/dbraw/zinc/75/83/70/344758370.db2.gz VOUYBDNBEFFREF-JQWIXIFHSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@H]1CCC[C@H](NC2C[NH2+]C2)CC1 235602800 344758991 /nfs/dbraw/zinc/75/89/91/344758991.db2.gz PURFDGMWVQQMED-UWVGGRQHSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H]1CC(C)(C)C[C@]12COC(N)=[NH+]2 235623787 344760051 /nfs/dbraw/zinc/76/00/51/344760051.db2.gz XYFGVRMGDLYVDL-XVKPBYJWSA-N 1 1 182.267 1.526 10 0 ADAEMO C[C@H]1CC[C@H](C)[N@H+](C2(CN)CC2)C1 235624673 344760218 /nfs/dbraw/zinc/76/02/18/344760218.db2.gz KGBBGOTVWGMOHM-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CC[C@H](C)N(C2(C[NH3+])CC2)C1 235624673 344760220 /nfs/dbraw/zinc/76/02/20/344760220.db2.gz KGBBGOTVWGMOHM-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCC[N@H+](C2(CN)CC2)CC1 235642946 344761127 /nfs/dbraw/zinc/76/11/27/344761127.db2.gz TTXRRINVIUTGKQ-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H]1CCCN(C2(C[NH3+])CC2)CC1 235642946 344761128 /nfs/dbraw/zinc/76/11/28/344761128.db2.gz TTXRRINVIUTGKQ-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H]1CC[C@@H](C)N(C2(C[NH3+])CC2)C1 235652521 344761698 /nfs/dbraw/zinc/76/16/98/344761698.db2.gz KGBBGOTVWGMOHM-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1C[N@@H+](CC2(C)CC2)CCC1=O 235663933 344762461 /nfs/dbraw/zinc/76/24/61/344762461.db2.gz NOOZJMVASBEBSW-VIFPVBQESA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@@H+](C2(CN)CC2)C1 235702103 344763890 /nfs/dbraw/zinc/76/38/90/344763890.db2.gz STSMMRSERILHMG-DTWKUNHWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[C@H](N2CC3(CC3)C2)CC[NH2+]1 235705579 344763916 /nfs/dbraw/zinc/76/39/16/344763916.db2.gz PJFLWJPIAJPWEZ-VHSXEESVSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@]1([NH2+]CC2(N)CCC2)CCCOC1 235726687 344764972 /nfs/dbraw/zinc/76/49/72/344764972.db2.gz YQDPMFJMXRTXLG-JTQLQIEISA-N 1 1 198.310 1.027 10 0 ADAEMO C[C@H]1C[C@@H](N2CC3(CC3)C2)CC[NH2+]1 235752833 344765613 /nfs/dbraw/zinc/76/56/13/344765613.db2.gz PJFLWJPIAJPWEZ-UWVGGRQHSA-N 1 1 180.295 1.223 10 0 ADAEMO Cc1cc(N)[nH+]cc1-c1ccc[nH]1 235790399 344766820 /nfs/dbraw/zinc/76/68/20/344766820.db2.gz CSUIRGVOOVKXAI-UHFFFAOYSA-N 1 1 173.219 1.967 10 0 ADAEMO Cc1[nH+]c(N)ccc1-c1ccc[nH]1 235831736 344768568 /nfs/dbraw/zinc/76/85/68/344768568.db2.gz LKPZGCFDEYTYFC-UHFFFAOYSA-N 1 1 173.219 1.967 10 0 ADAEMO Cc1ccc(F)c(C[NH2+]C2COC2)c1 235904329 344769704 /nfs/dbraw/zinc/76/97/04/344769704.db2.gz GATUPRBYPIFWAA-UHFFFAOYSA-N 1 1 195.237 1.623 10 0 ADAEMO Cc1ncc([C@@H]([NH3+])C2=CCCO2)s1 235948185 344770486 /nfs/dbraw/zinc/77/04/86/344770486.db2.gz JBUQBPLNDPARIU-VIFPVBQESA-N 1 1 196.275 1.756 10 0 ADAEMO [NH2+]=C(NC1CC1)c1ncccc1Cl 236036242 344771787 /nfs/dbraw/zinc/77/17/87/344771787.db2.gz YWPMTOXXGMFDNP-UHFFFAOYSA-N 1 1 195.653 1.812 10 0 ADAEMO Cn1cnc([C@@H]([NH3+])c2ccoc2)c1 236095390 344773527 /nfs/dbraw/zinc/77/35/27/344773527.db2.gz XNLGTYRUCRUYNH-VIFPVBQESA-N 1 1 177.207 1.061 10 0 ADAEMO [NH3+]Cc1nnc(-c2cncs2)s1 236174255 344776243 /nfs/dbraw/zinc/77/62/43/344776243.db2.gz FUGDITDBDJMXIZ-UHFFFAOYSA-N 1 1 198.276 1.120 10 0 ADAEMO NCC1([N@H+]2C[C@H]3CCC[C@H]3C2)CC1 236174698 344776280 /nfs/dbraw/zinc/77/62/80/344776280.db2.gz ACEZVRJBOXPPGM-AOOOYVTPSA-N 1 1 180.295 1.210 10 0 ADAEMO NCC1([N@@H+]2C[C@H]3CCC[C@H]3C2)CC1 236174698 344776281 /nfs/dbraw/zinc/77/62/81/344776281.db2.gz ACEZVRJBOXPPGM-AOOOYVTPSA-N 1 1 180.295 1.210 10 0 ADAEMO NCC1([NH+]2C[C@H]3CCC[C@@H]3C2)CC1 236174948 344776673 /nfs/dbraw/zinc/77/66/73/344776673.db2.gz ACEZVRJBOXPPGM-NXEZZACHSA-N 1 1 180.295 1.210 10 0 ADAEMO [NH3+]Cc1noc(-c2ccc(Cl)o2)n1 236177266 344776687 /nfs/dbraw/zinc/77/66/87/344776687.db2.gz PFAFBTXFTJXRGL-UHFFFAOYSA-N 1 1 199.597 1.442 10 0 ADAEMO CC(C)[NH2+][C@@H]1CCCc2[nH]ncc21 238147434 344794176 /nfs/dbraw/zinc/79/41/76/344794176.db2.gz KZUSHKCOQROJOV-SECBINFHSA-N 1 1 179.267 1.785 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/nfs/dbraw/zinc/80/61/58/344806158.db2.gz UCURSCORPBRJCH-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO Cc1cc(N)cc(C(F)F)[nH+]1 238446869 344807205 /nfs/dbraw/zinc/80/72/05/344807205.db2.gz XLDLVJDEYASLNN-UHFFFAOYSA-N 1 1 158.151 1.910 10 0 ADAEMO Cc1cc(N)[nH+]cc1OC(F)(F)F 238457242 344807579 /nfs/dbraw/zinc/80/75/79/344807579.db2.gz BMSPGOXVNWVBPT-UHFFFAOYSA-N 1 1 192.140 1.871 10 0 ADAEMO Cc1occc1C[N@H+]1CC[C@H](C[NH3+])C1 238463536 344807943 /nfs/dbraw/zinc/80/79/43/344807943.db2.gz YHKYSATZADZYSF-SNVBAGLBSA-N 1 1 194.278 1.369 10 0 ADAEMO Cc1occc1CN1CC[C@H](C[NH3+])C1 238463536 344807944 /nfs/dbraw/zinc/80/79/44/344807944.db2.gz YHKYSATZADZYSF-SNVBAGLBSA-N 1 1 194.278 1.369 10 0 ADAEMO [NH3+]CC[N@@H+]1CCC2(CCCC2)C1 238583563 344814337 /nfs/dbraw/zinc/81/43/37/344814337.db2.gz GFYSYHGMKFBZIP-UHFFFAOYSA-N 1 1 168.284 1.211 10 0 ADAEMO [NH3+]CCN1CCC2(CCCC2)C1 238583563 344814339 /nfs/dbraw/zinc/81/43/39/344814339.db2.gz GFYSYHGMKFBZIP-UHFFFAOYSA-N 1 1 168.284 1.211 10 0 ADAEMO [NH3+]CCN1CCCCCCCC1 238581927 344814369 /nfs/dbraw/zinc/81/43/69/344814369.db2.gz RMKNXMDTASPYBG-UHFFFAOYSA-N 1 1 170.300 1.601 10 0 ADAEMO Nc1[nH]c2ccc(Cl)c(F)c2[nH+]1 238609716 344815723 /nfs/dbraw/zinc/81/57/23/344815723.db2.gz ZFVOLAMYAUBSDY-UHFFFAOYSA-N 1 1 185.589 1.938 10 0 ADAEMO Nc1ccc(N2CCC(F)(F)C2)[nH+]c1 238647638 344817074 /nfs/dbraw/zinc/81/70/74/344817074.db2.gz PCWFETVJHMQGLO-UHFFFAOYSA-N 1 1 199.204 1.509 10 0 ADAEMO CCCN1C[C@H](C2CC2)[NH2+]CC[C@H]1C 249976468 344828398 /nfs/dbraw/zinc/82/83/98/344828398.db2.gz LMPCKCYSLZMYBA-ZYHUDNBSSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCN1C[C@@H](C2CC2)[NH2+]CC[C@H]1C 249976466 344828818 /nfs/dbraw/zinc/82/88/18/344828818.db2.gz LMPCKCYSLZMYBA-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@@H+](C)[C@]1(CN)CCCC[C@H]1C 249902604 344828882 /nfs/dbraw/zinc/82/88/82/344828882.db2.gz GOLGQECGCMNAJB-MNOVXSKESA-N 1 1 184.327 1.846 10 0 ADAEMO CCCN1C[C@@H](C)[NH2+]CC[C@H]1C 250053436 344829200 /nfs/dbraw/zinc/82/92/00/344829200.db2.gz WNFAGBKHNATBQP-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[N@@H+](C)C[C@@H]1CCC(C)(C)[C@H]1O 250060673 344829616 /nfs/dbraw/zinc/82/96/16/344829616.db2.gz OZNYUTCTPBKQJB-UWVGGRQHSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CC(C)(C)CC[C@H]1N 250100464 344829984 /nfs/dbraw/zinc/82/99/84/344829984.db2.gz YXBWVUCGROAZEZ-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO CCN(C)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 250100464 344829985 /nfs/dbraw/zinc/82/99/85/344829985.db2.gz YXBWVUCGROAZEZ-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCCCC[C@H]1O 250074693 344830022 /nfs/dbraw/zinc/83/00/22/344830022.db2.gz SKFAABDJLLQUCU-NXEZZACHSA-N 1 1 171.284 1.632 10 0 ADAEMO CC[N@@H+](C)[C@H]1CC(C)(C)CC[C@H]1O 250094935 344830024 /nfs/dbraw/zinc/83/00/24/344830024.db2.gz XPRMEHJYSYTTRT-VHSXEESVSA-N 1 1 185.311 1.878 10 0 ADAEMO CC[N@H+](C1CNC1)[C@@H]1CCC[C@H]1C 250083666 344830031 /nfs/dbraw/zinc/83/00/31/344830031.db2.gz VAIYJIHPAZQHHM-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[N@@H+](C1CNC1)[C@@H]1CCC[C@H]1C 250083666 344830032 /nfs/dbraw/zinc/83/00/32/344830032.db2.gz VAIYJIHPAZQHHM-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCCCC[C@H]1O 250074696 344830150 /nfs/dbraw/zinc/83/01/50/344830150.db2.gz SKFAABDJLLQUCU-VHSXEESVSA-N 1 1 171.284 1.632 10 0 ADAEMO CC[N@H+]1CCCN2CCCC[C@H]2C1 250210174 344830520 /nfs/dbraw/zinc/83/05/20/344830520.db2.gz CLEHODCQROOSND-NSHDSACASA-N 1 1 182.311 1.567 10 0 ADAEMO CCN1CCC[N@@H+]2CCCC[C@H]2C1 250210174 344830521 /nfs/dbraw/zinc/83/05/21/344830521.db2.gz CLEHODCQROOSND-NSHDSACASA-N 1 1 182.311 1.567 10 0 ADAEMO CCN1CCC[N@H+]2CCCC[C@H]2C1 250210174 344830522 /nfs/dbraw/zinc/83/05/22/344830522.db2.gz CLEHODCQROOSND-NSHDSACASA-N 1 1 182.311 1.567 10 0 ADAEMO CC[N@H+]1C[C@@H](C)NC[C@H]1C(C)(C)C 250204857 344830551 /nfs/dbraw/zinc/83/05/51/344830551.db2.gz BWGFEBIQCVCIRW-ZJUUUORDSA-N 1 1 184.327 1.715 10 0 ADAEMO CCN1C[C@@H](C)[NH2+]C[C@H]1C(C)(C)C 250204857 344830552 /nfs/dbraw/zinc/83/05/52/344830552.db2.gz BWGFEBIQCVCIRW-ZJUUUORDSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[N@H+]1C[C@@H](C2CC2)NC[C@H]1C(C)C 250188457 344830554 /nfs/dbraw/zinc/83/05/54/344830554.db2.gz AAZLXUDOKUUUCN-RYUDHWBXSA-N 1 1 196.338 1.715 10 0 ADAEMO CCN1C[C@@H](C2CC2)[NH2+]C[C@H]1C(C)C 250188457 344830555 /nfs/dbraw/zinc/83/05/55/344830555.db2.gz AAZLXUDOKUUUCN-RYUDHWBXSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[N@H+]1C[C@@H](C)NC[C@H]1CC(C)C 250245271 344831099 /nfs/dbraw/zinc/83/10/99/344831099.db2.gz HWPMEJZMYDGDRO-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CCN1C[C@@H](C)[NH2+]C[C@H]1CC(C)C 250245271 344831100 /nfs/dbraw/zinc/83/11/00/344831100.db2.gz HWPMEJZMYDGDRO-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[N@H+]1C[C@H](C)NC[C@H]1CC(C)C 250245274 344831111 /nfs/dbraw/zinc/83/11/11/344831111.db2.gz HWPMEJZMYDGDRO-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CCN1C[C@H](C)[NH2+]C[C@H]1CC(C)C 250245274 344831112 /nfs/dbraw/zinc/83/11/12/344831112.db2.gz HWPMEJZMYDGDRO-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[N@H+]1C[C@@H](C(C)(C)C)NC[C@H]1C 250337961 344831651 /nfs/dbraw/zinc/83/16/51/344831651.db2.gz PKHUEIPUMZTKKA-ZJUUUORDSA-N 1 1 184.327 1.715 10 0 ADAEMO CCN1C[C@@H](C(C)(C)C)[NH2+]C[C@H]1C 250337961 344831652 /nfs/dbraw/zinc/83/16/52/344831652.db2.gz PKHUEIPUMZTKKA-ZJUUUORDSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[N@@H+]1C[C@@H](C(C)C)NC[C@H]1C 250322131 344831654 /nfs/dbraw/zinc/83/16/54/344831654.db2.gz NHGYWYYXRNAYIM-ZJUUUORDSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[N@H+]1C[C@@H](C(C)C)NC[C@H]1C 250322131 344831655 /nfs/dbraw/zinc/83/16/55/344831655.db2.gz NHGYWYYXRNAYIM-ZJUUUORDSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[N@@H+]1C[C@@H](C2CC2)NC[C@H]1C 250323633 344831671 /nfs/dbraw/zinc/83/16/71/344831671.db2.gz NMOTVFIFYFDZFP-SCZZXKLOSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[N@H+]1C[C@@H](C2CC2)NC[C@H]1C 250323633 344831672 /nfs/dbraw/zinc/83/16/72/344831672.db2.gz NMOTVFIFYFDZFP-SCZZXKLOSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[N@H+]1[C@@H](C)CCC[C@H]1CN 250322647 344831674 /nfs/dbraw/zinc/83/16/74/344831674.db2.gz NHTYSHMBEMGYEG-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CCN1[C@@H](C)CCC[C@H]1C[NH3+] 250322647 344831675 /nfs/dbraw/zinc/83/16/75/344831675.db2.gz NHTYSHMBEMGYEG-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[N@H+]1C[C@H](C(C)(C)C)NC[C@H]1C 250337957 344831678 /nfs/dbraw/zinc/83/16/78/344831678.db2.gz PKHUEIPUMZTKKA-NXEZZACHSA-N 1 1 184.327 1.715 10 0 ADAEMO CCN1C[C@H](C(C)(C)C)[NH2+]C[C@H]1C 250337957 344831679 /nfs/dbraw/zinc/83/16/79/344831679.db2.gz PKHUEIPUMZTKKA-NXEZZACHSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[N@@H+]1C[C@H](C(C)C)NC[C@H]1C 250322129 344831687 /nfs/dbraw/zinc/83/16/87/344831687.db2.gz NHGYWYYXRNAYIM-NXEZZACHSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[N@H+]1C[C@H](C(C)C)NC[C@H]1C 250322129 344831688 /nfs/dbraw/zinc/83/16/88/344831688.db2.gz NHGYWYYXRNAYIM-NXEZZACHSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[N@@H+]1C[C@H](C2CC2)NC[C@H]1C 250323630 344831691 /nfs/dbraw/zinc/83/16/91/344831691.db2.gz NMOTVFIFYFDZFP-PSASIEDQSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[N@H+]1C[C@H](C2CC2)NC[C@H]1C 250323630 344831692 /nfs/dbraw/zinc/83/16/92/344831692.db2.gz NMOTVFIFYFDZFP-PSASIEDQSA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1CCC(C)(C)[C@H]1N 250489827 344834555 /nfs/dbraw/zinc/83/45/55/344834555.db2.gz GJSSAOZPUUBYFH-ZJUUUORDSA-N 1 1 184.327 1.843 10 0 ADAEMO CC(C)N(C)[C@@H]1CCC(C)(C)[C@H]1[NH3+] 250489827 344834556 /nfs/dbraw/zinc/83/45/56/344834556.db2.gz GJSSAOZPUUBYFH-ZJUUUORDSA-N 1 1 184.327 1.843 10 0 ADAEMO CN(C1CC1)[C@H]1CCCCC[C@H]1[NH3+] 250487763 344834584 /nfs/dbraw/zinc/83/45/84/344834584.db2.gz XGCJIPJHQAHZOX-MNOVXSKESA-N 1 1 182.311 1.741 10 0 ADAEMO C[N@H+](C1CC1)[C@H]1CCCCC[C@H]1N 250487763 344834585 /nfs/dbraw/zinc/83/45/85/344834585.db2.gz XGCJIPJHQAHZOX-MNOVXSKESA-N 1 1 182.311 1.741 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCCC[C@H]1N 250487763 344834586 /nfs/dbraw/zinc/83/45/86/344834586.db2.gz XGCJIPJHQAHZOX-MNOVXSKESA-N 1 1 182.311 1.741 10 0 ADAEMO CCOC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C 250479342 344834588 /nfs/dbraw/zinc/83/45/88/344834588.db2.gz UKWRQAHAKFWRPF-NXEZZACHSA-N 1 1 199.294 1.670 10 0 ADAEMO CCOC[C@@]1(O)CC[N@H+]2CCC[C@H]2C1 250472282 344834591 /nfs/dbraw/zinc/83/45/91/344834591.db2.gz CZPJYVJQOGUVCS-WDEREUQCSA-N 1 1 199.294 1.012 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1CCC(C)(C)[C@H]1N 250489825 344834632 /nfs/dbraw/zinc/83/46/32/344834632.db2.gz GJSSAOZPUUBYFH-UWVGGRQHSA-N 1 1 184.327 1.843 10 0 ADAEMO CC(C)N(C)[C@H]1CCC(C)(C)[C@H]1[NH3+] 250489825 344834633 /nfs/dbraw/zinc/83/46/33/344834633.db2.gz GJSSAOZPUUBYFH-UWVGGRQHSA-N 1 1 184.327 1.843 10 0 ADAEMO CN(C1CC1)[C@@H]1CCCCC[C@H]1[NH3+] 250487762 344834644 /nfs/dbraw/zinc/83/46/44/344834644.db2.gz XGCJIPJHQAHZOX-GHMZBOCLSA-N 1 1 182.311 1.741 10 0 ADAEMO C[N@H+](C1CC1)[C@@H]1CCCCC[C@H]1N 250487762 344834645 /nfs/dbraw/zinc/83/46/45/344834645.db2.gz XGCJIPJHQAHZOX-GHMZBOCLSA-N 1 1 182.311 1.741 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCCCC[C@H]1N 250487762 344834646 /nfs/dbraw/zinc/83/46/46/344834646.db2.gz XGCJIPJHQAHZOX-GHMZBOCLSA-N 1 1 182.311 1.741 10 0 ADAEMO CC(C)[N@@H+]1CC[C@@H](N)[C@H]1c1ccco1 250492164 344834648 /nfs/dbraw/zinc/83/46/48/344834648.db2.gz HMBVOXRMCRTELK-KOLCDFICSA-N 1 1 194.278 1.762 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](N)[C@H]1c1ccco1 250492164 344834649 /nfs/dbraw/zinc/83/46/49/344834649.db2.gz HMBVOXRMCRTELK-KOLCDFICSA-N 1 1 194.278 1.762 10 0 ADAEMO C[N@H+]([C@H]1CCCCC1=O)[C@@H]1CCOC1 250361750 344832302 /nfs/dbraw/zinc/83/23/02/344832302.db2.gz DTKYVMFERIUKKH-ZJUUUORDSA-N 1 1 197.278 1.219 10 0 ADAEMO C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCCC1=O 250349094 344832312 /nfs/dbraw/zinc/83/23/12/344832312.db2.gz AAGLZODZNWDEML-UWVGGRQHSA-N 1 1 197.278 1.219 10 0 ADAEMO C[N@@H+](C1CCCC1)[C@H]1CCC[C@H]1N 250350784 344832324 /nfs/dbraw/zinc/83/23/24/344832324.db2.gz AJPNESHXQFZGFB-MNOVXSKESA-N 1 1 182.311 1.741 10 0 ADAEMO C[N@@H+]([C@H]1CCOC1)[C@H]1CCCCC1=O 250361747 344832338 /nfs/dbraw/zinc/83/23/38/344832338.db2.gz DTKYVMFERIUKKH-UWVGGRQHSA-N 1 1 197.278 1.219 10 0 ADAEMO CN(C1CC1)[C@H]1CCCC[C@H]1[NH3+] 250352414 344832352 /nfs/dbraw/zinc/83/23/52/344832352.db2.gz AVRXTXXXPHJLHM-ZJUUUORDSA-N 1 1 168.284 1.351 10 0 ADAEMO CC[N@H+]1C[C@](C)(C2CC2)NC[C@H]1C 250354546 344832374 /nfs/dbraw/zinc/83/23/74/344832374.db2.gz RXMABMPYZBSFIE-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CCN1C[C@](C)(C2CC2)[NH2+]C[C@H]1C 250354546 344832375 /nfs/dbraw/zinc/83/23/75/344832375.db2.gz RXMABMPYZBSFIE-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[N@H+]1C[C@@H](C)NC[C@]1(C)C1CC1 250373940 344832854 /nfs/dbraw/zinc/83/28/54/344832854.db2.gz WDEYNNODIKNGHW-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CCN1C[C@@H](C)[NH2+]C[C@]1(C)C1CC1 250373940 344832855 /nfs/dbraw/zinc/83/28/55/344832855.db2.gz WDEYNNODIKNGHW-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[N@H+]1C[C@@H](C(C)C)NC[C@H]1C(C)C 250370961 344832895 /nfs/dbraw/zinc/83/28/95/344832895.db2.gz VPWHJPQBROVEGR-RYUDHWBXSA-N 1 1 198.354 1.961 10 0 ADAEMO CCN1C[C@@H](C(C)C)[NH2+]C[C@H]1C(C)C 250370961 344832896 /nfs/dbraw/zinc/83/28/96/344832896.db2.gz VPWHJPQBROVEGR-RYUDHWBXSA-N 1 1 198.354 1.961 10 0 ADAEMO C[N@H+]1CCN2c3ccccc3C[C@H]2C1 250378440 344833431 /nfs/dbraw/zinc/83/34/31/344833431.db2.gz LFMNALLKLYBBIN-NSHDSACASA-N 1 1 188.274 1.363 10 0 ADAEMO CC[N@@H+]1CC[C@H](N)[C@H]1c1ccccc1 250394173 344833455 /nfs/dbraw/zinc/83/34/55/344833455.db2.gz YJRQUAURNNVCEM-NWDGAFQWSA-N 1 1 190.290 1.781 10 0 ADAEMO CC[N@H+]1CC[C@H](N)[C@H]1c1ccccc1 250394173 344833456 /nfs/dbraw/zinc/83/34/56/344833456.db2.gz YJRQUAURNNVCEM-NWDGAFQWSA-N 1 1 190.290 1.781 10 0 ADAEMO C[N@@H+](CC1CCCC1)[C@@H]1CCC[C@H]1N 250416296 344834015 /nfs/dbraw/zinc/83/40/15/344834015.db2.gz ONCADEZUKRAETO-VXGBXAGGSA-N 1 1 196.338 1.988 10 0 ADAEMO CN(CC1CCCC1)[C@@H]1CCC[C@H]1[NH3+] 250416296 344834016 /nfs/dbraw/zinc/83/40/16/344834016.db2.gz ONCADEZUKRAETO-VXGBXAGGSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(=O)[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 250523806 344835825 /nfs/dbraw/zinc/83/58/25/344835825.db2.gz NNMGLXIQKQNNRM-QWRGUYRKSA-N 1 1 197.278 1.076 10 0 ADAEMO CC(=O)[C@H]1CCCC[N@H+]1[C@H]1CCOC1 250528333 344835962 /nfs/dbraw/zinc/83/59/62/344835962.db2.gz RAYHRQQFBANXDZ-WDEREUQCSA-N 1 1 197.278 1.219 10 0 ADAEMO CN1CCCC[C@@H]1[C@@H]([NH3+])C1CCC1 250580284 344836570 /nfs/dbraw/zinc/83/65/70/344836570.db2.gz FYESJIOKTHTGNO-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO CN1CCCC[C@H]1[C@@H]([NH3+])C1CCC1 250580288 344836579 /nfs/dbraw/zinc/83/65/79/344836579.db2.gz FYESJIOKTHTGNO-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO CN1CC[C@H](C[NH3+])[C@H]1c1ccco1 250566225 344836584 /nfs/dbraw/zinc/83/65/84/344836584.db2.gz DGWQVDLXYVSFCG-SCZZXKLOSA-N 1 1 180.251 1.231 10 0 ADAEMO CC(C)CN1CC[C@H]2[NH2+]CC[C@H]2C1 250544713 344836587 /nfs/dbraw/zinc/83/65/87/344836587.db2.gz DFULEXPIQPFMLU-WDEREUQCSA-N 1 1 182.311 1.326 10 0 ADAEMO C[N@@H+]1C[C@H](C2CC2)NC[C@H]1C1CC1 250582175 344836603 /nfs/dbraw/zinc/83/66/03/344836603.db2.gz GDGRPJXHJIZPPI-MNOVXSKESA-N 1 1 180.295 1.079 10 0 ADAEMO C[N@H+]1C[C@H](C2CC2)NC[C@H]1C1CC1 250582175 344836604 /nfs/dbraw/zinc/83/66/04/344836604.db2.gz GDGRPJXHJIZPPI-MNOVXSKESA-N 1 1 180.295 1.079 10 0 ADAEMO CN1CCC[C@H]1[C@@H]([NH3+])C1CCCC1 250574153 344836610 /nfs/dbraw/zinc/83/66/10/344836610.db2.gz FFZREMAYOZHTEC-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@@H+]1CCC[C@H]1[C@@H](N)C1CCCC1 250574153 344836611 /nfs/dbraw/zinc/83/66/11/344836611.db2.gz FFZREMAYOZHTEC-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](N)C1CCCC1 250574153 344836612 /nfs/dbraw/zinc/83/66/12/344836612.db2.gz FFZREMAYOZHTEC-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@@H](N)c2cccs2)C1 250608043 344837144 /nfs/dbraw/zinc/83/71/44/344837144.db2.gz LWAGOAIBMVURJC-PSASIEDQSA-N 1 1 196.319 1.700 10 0 ADAEMO CN1CC[C@@H]([C@@H]([NH3+])c2cccs2)C1 250608043 344837146 /nfs/dbraw/zinc/83/71/46/344837146.db2.gz LWAGOAIBMVURJC-PSASIEDQSA-N 1 1 196.319 1.700 10 0 ADAEMO CN1CCC[C@@H]1[C@@H]([NH3+])C1CCC1 250644239 344837899 /nfs/dbraw/zinc/83/78/99/344837899.db2.gz UTRZIOGYTFXDTL-ZJUUUORDSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@@H+]1CCC[C@H]1[C@@H](N)C1CCC1 250644237 344837978 /nfs/dbraw/zinc/83/79/78/344837978.db2.gz UTRZIOGYTFXDTL-UWVGGRQHSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](N)C1CCC1 250644237 344837979 /nfs/dbraw/zinc/83/79/79/344837979.db2.gz UTRZIOGYTFXDTL-UWVGGRQHSA-N 1 1 168.284 1.208 10 0 ADAEMO CN1CC[C@@H](C[NH3+])[C@H]1c1ccncc1 250648458 344838370 /nfs/dbraw/zinc/83/83/70/344838370.db2.gz WBVIUVSHYDUTHK-WDEREUQCSA-N 1 1 191.278 1.033 10 0 ADAEMO Cc1cc(=O)n(C[C@@H]2CCCC[NH2+]2)[nH]1 250870687 344842940 /nfs/dbraw/zinc/84/29/40/344842940.db2.gz BQYIGQFONQMGSA-VIFPVBQESA-N 1 1 195.266 1.039 10 0 ADAEMO NC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]2C[C@@H]21 250994508 344843944 /nfs/dbraw/zinc/84/39/44/344843944.db2.gz CUWMIHFJHFWZCW-VPOLOUISSA-N 1 1 180.295 1.208 10 0 ADAEMO CC(=O)[C@@H]1CCC[N@H+]([C@H](C)[C@@H](C)O)C1 251050098 344845193 /nfs/dbraw/zinc/84/51/93/344845193.db2.gz OAZQKONSRGZEPV-FXPVBKGRSA-N 1 1 199.294 1.057 10 0 ADAEMO CC[C@H](N)C[N@H+]1CCC[C@@H](C)[C@H]1C 251043753 344845242 /nfs/dbraw/zinc/84/52/42/344845242.db2.gz DFBMHIIQBIKOFB-MXWKQRLJSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H]([NH3+])CN1CCC[C@@H](C)[C@H]1C 251043753 344845243 /nfs/dbraw/zinc/84/52/43/344845243.db2.gz DFBMHIIQBIKOFB-MXWKQRLJSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H](N)C[N@H+]1CCC[C@H](C)[C@H]1C 251043748 344845281 /nfs/dbraw/zinc/84/52/81/344845281.db2.gz DFBMHIIQBIKOFB-AXFHLTTASA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H]([NH3+])CN1CCC[C@H](C)[C@H]1C 251043748 344845282 /nfs/dbraw/zinc/84/52/82/344845282.db2.gz DFBMHIIQBIKOFB-AXFHLTTASA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H](N)C[N@@H+]1CCC[C@H]1C 251050542 344845293 /nfs/dbraw/zinc/84/52/93/344845293.db2.gz FZLOVXQQBLYGIC-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@H](N)C[N@H+]1CCC[C@H]1C 251050542 344845294 /nfs/dbraw/zinc/84/52/94/344845294.db2.gz FZLOVXQQBLYGIC-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CC(=O)[C@@H]1CCC[N@H+]([C@@H](C)[C@H](C)O)C1 251050096 344845306 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CC[C@@H]1CC[C@H]([N@H+]2CCNC[C@@H]2C)C1 306533845 345406640 /nfs/dbraw/zinc/40/66/40/345406640.db2.gz IFXKGGZHYOSHCP-TUAOUCFPSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H]([NH3+])CN1CCC2(CCC2)C1 306534518 345406971 /nfs/dbraw/zinc/40/69/71/345406971.db2.gz FANYAFALQWNDJA-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@@H]1CC[C@H]1N1CC[NH2+]C(C)(C)C1 306540633 345414787 /nfs/dbraw/zinc/41/47/87/345414787.db2.gz WKCZWDBCQLJUDL-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCCF 306541326 345415534 /nfs/dbraw/zinc/41/55/34/345415534.db2.gz XKBWVBUWEFCARZ-RKDXNWHRSA-N 1 1 175.247 1.191 10 0 ADAEMO C[C@@H]1CNCC[N@@H+]1CC1=CCCCC1 306551756 345426901 /nfs/dbraw/zinc/42/69/01/345426901.db2.gz APNODSMJDWGQAS-LLVKDONJSA-N 1 1 194.322 1.781 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1CC1=CCCCC1 306551756 345426902 /nfs/dbraw/zinc/42/69/02/345426902.db2.gz APNODSMJDWGQAS-LLVKDONJSA-N 1 1 194.322 1.781 10 0 ADAEMO C[C@H]1[C@@H](N)CCC[N@H+]1CC(C)(C)C 306551668 345426931 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10 0 ADAEMO CC1([C@@H]([NH3+])c2ncon2)CCCC1 306783158 345611505 /nfs/dbraw/zinc/61/15/05/345611505.db2.gz LBCIXADHHKGHBM-ZETCQYMHSA-N 1 1 181.239 1.650 10 0 ADAEMO C[C@H](N)C[NH+]1C[C@@H]2CC=CC[C@H]2C1 306784895 345612623 /nfs/dbraw/zinc/61/26/23/345612623.db2.gz MUBHXLIAWXXFKS-DCAQKATOSA-N 1 1 180.295 1.232 10 0 ADAEMO CCc1c[nH]c(N2CC[C@@H](OC)C2)[nH+]1 306812306 345630970 /nfs/dbraw/zinc/63/09/70/345630970.db2.gz YUPIWHQCCQCEBX-SECBINFHSA-N 1 1 195.266 1.197 10 0 ADAEMO Cc1ccc(NC2C[NH+](C)C2)nc1 306812127 345630995 /nfs/dbraw/zinc/63/09/95/345630995.db2.gz YIVJDTAEHWIXOY-UHFFFAOYSA-N 1 1 177.251 1.116 10 0 ADAEMO C[C@H](CN)[N@H+]1CC[C@@H]2CCC[C@@H]21 306788008 345614929 /nfs/dbraw/zinc/61/49/29/345614929.db2.gz NQQXIOCVQGZARB-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H](N)C[N@H+]1CCSCC[C@H]1C 306830643 345644146 /nfs/dbraw/zinc/64/41/46/345644146.db2.gz LQOGNCQIIALUCX-RKDXNWHRSA-N 1 1 188.340 1.161 10 0 ADAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1C1CNC1 306830754 345644635 /nfs/dbraw/zinc/64/46/35/345644635.db2.gz JMRWPGRLZPSHGD-RKDXNWHRSA-N 1 1 168.284 1.079 10 0 ADAEMO CC1CN(C[C@]2(C)C[NH2+]C[C@@H]2C)C1 306834890 345647259 /nfs/dbraw/zinc/64/72/59/345647259.db2.gz QMHSWGIQGNHUQM-QWRGUYRKSA-N 1 1 182.311 1.184 10 0 ADAEMO CC1(C)CN(c2[nH+]cccc2N)C1 306816742 345632974 /nfs/dbraw/zinc/63/29/74/345632974.db2.gz CHVWTWXYRBHEMF-UHFFFAOYSA-N 1 1 177.251 1.510 10 0 ADAEMO NC[C@@]1([NH3+])CCCC12CCCC2 306844606 345652980 /nfs/dbraw/zinc/65/29/80/345652980.db2.gz HNCZYVQUUXZRAM-JTQLQIEISA-N 1 1 168.284 1.387 10 0 ADAEMO CNC[C@@H]1CCC[N@H+]1[C@H]1CCC1(C)C 306853337 345658656 /nfs/dbraw/zinc/65/86/56/345658656.db2.gz SYMIPFVGUXWQIP-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CNC[C@@H]1CCC[N@@H+]1[C@@H]1CCC1(C)C 306853338 345658679 /nfs/dbraw/zinc/65/86/79/345658679.db2.gz SYMIPFVGUXWQIP-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO CNC[C@@H]1CCC[N@H+]1[C@@H]1CCC1(C)C 306853338 345658680 /nfs/dbraw/zinc/65/86/80/345658680.db2.gz SYMIPFVGUXWQIP-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO Cc1[nH+]cc([C@H]2CCCC2=O)n1C 306860294 345663645 /nfs/dbraw/zinc/66/36/45/345663645.db2.gz DQFLSESVXNMKFM-MRVPVSSYSA-N 1 1 178.235 1.565 10 0 ADAEMO CC1CC(N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 306860561 345663945 /nfs/dbraw/zinc/66/39/45/345663945.db2.gz DXTUGMXCNYQAII-YIYTYNFBSA-N 1 1 182.311 1.515 10 0 ADAEMO CC1CC(N[C@@H](C)[C@H]2CCC[NH2+]2)C1 306860558 345663961 /nfs/dbraw/zinc/66/39/61/345663961.db2.gz DXTUGMXCNYQAII-QONHTCSSSA-N 1 1 182.311 1.515 10 0 ADAEMO CC1CC(N[C@H](C)[C@H]2CCC[NH2+]2)C1 306860560 345663973 /nfs/dbraw/zinc/66/39/73/345663973.db2.gz DXTUGMXCNYQAII-VGRIYTJTSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CCNC[C@@H]2C)C[C@H]1C 306860703 345663980 /nfs/dbraw/zinc/66/39/80/345663980.db2.gz DZCZUHGXCPJKNP-RCWTZXSCSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1[C@@H](N2CC[NH2+]C[C@@H]2C)C[C@H]1C 306860703 345663981 /nfs/dbraw/zinc/66/39/81/345663981.db2.gz DZCZUHGXCPJKNP-RCWTZXSCSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@H]1C[C@@H](C)[C@H]1C 306860704 345663989 /nfs/dbraw/zinc/66/39/89/345663989.db2.gz DZCZUHGXCPJKNP-YTWAJWBKSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@H]1C[NH2+]CCN1[C@H]1C[C@@H](C)[C@H]1C 306860704 345663990 /nfs/dbraw/zinc/66/39/90/345663990.db2.gz DZCZUHGXCPJKNP-YTWAJWBKSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@H]1C[N@H+](C2CCC2)CC[C@H]1O 306861165 345664722 /nfs/dbraw/zinc/66/47/22/345664722.db2.gz FJLNKYBUUQXLLX-WCBMZHEXSA-N 1 1 169.268 1.242 10 0 ADAEMO C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nn2)C1 306864245 345666853 /nfs/dbraw/zinc/66/68/53/345666853.db2.gz JZXSMCOHNOZORV-YUMQZZPRSA-N 1 1 180.255 1.083 10 0 ADAEMO C[C@H]1CC[C@H]([NH2+]Cc2cn[nH]n2)C1 306864245 345666854 /nfs/dbraw/zinc/66/68/54/345666854.db2.gz JZXSMCOHNOZORV-YUMQZZPRSA-N 1 1 180.255 1.083 10 0 ADAEMO Cc1c[nH]c(N2CCS[C@H](C)C2)[nH+]1 306864532 345666873 /nfs/dbraw/zinc/66/68/73/345666873.db2.gz LIGOSNQONYEPCB-MRVPVSSYSA-N 1 1 197.307 1.660 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@@H+]1Cc1nccn1C 306869234 345669490 /nfs/dbraw/zinc/66/94/90/345669490.db2.gz SLCINOWKSBFLJY-DTORHVGOSA-N 1 1 179.267 1.403 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1nccn1C 306869234 345669491 /nfs/dbraw/zinc/66/94/91/345669491.db2.gz SLCINOWKSBFLJY-DTORHVGOSA-N 1 1 179.267 1.403 10 0 ADAEMO C[C@H]1C[C@@H]1[NH2+]Cc1cnsn1 306869126 345669493 /nfs/dbraw/zinc/66/94/93/345669493.db2.gz ROOYBQVOMMNFMR-FSPLSTOPSA-N 1 1 169.253 1.036 10 0 ADAEMO C[C@@H]1C[C@H]1[NH2+]Cc1cnsn1 306869127 345669505 /nfs/dbraw/zinc/66/95/05/345669505.db2.gz ROOYBQVOMMNFMR-IYSWYEEDSA-N 1 1 169.253 1.036 10 0 ADAEMO C[C@H](O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 306878856 345675559 /nfs/dbraw/zinc/67/55/59/345675559.db2.gz IXQABGRZMMDMRM-HRDYMLBCSA-N 1 1 175.247 1.190 10 0 ADAEMO C[C@@H]1C[N@@H+](CC(N)=S)[C@@H](C)[C@@H]1C 306881611 345678281 /nfs/dbraw/zinc/67/82/81/345678281.db2.gz HTTNJMAMZGUNLX-PRJMDXOYSA-N 1 1 186.324 1.249 10 0 ADAEMO C[C@@H]1C[N@@H+](CC(N)=S)[C@H](C)[C@@H]1C 306881608 345678286 /nfs/dbraw/zinc/67/82/86/345678286.db2.gz HTTNJMAMZGUNLX-BWZBUEFSSA-N 1 1 186.324 1.249 10 0 ADAEMO N[C@H]1CCC[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306864975 345666835 /nfs/dbraw/zinc/66/68/35/345666835.db2.gz LLKDRKJVXRWTBA-VLEAKVRGSA-N 1 1 180.295 1.208 10 0 ADAEMO [NH3+][C@H]1CCCN([C@H]2C[C@@H]3C[C@@H]3C2)C1 306864975 345666836 /nfs/dbraw/zinc/66/68/36/345666836.db2.gz LLKDRKJVXRWTBA-VLEAKVRGSA-N 1 1 180.295 1.208 10 0 ADAEMO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C1 306864242 345666838 /nfs/dbraw/zinc/66/68/38/345666838.db2.gz JZXSMCOHNOZORV-HTQZYQBOSA-N 1 1 180.255 1.083 10 0 ADAEMO C[C@@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C1 306864242 345666839 /nfs/dbraw/zinc/66/68/39/345666839.db2.gz JZXSMCOHNOZORV-HTQZYQBOSA-N 1 1 180.255 1.083 10 0 ADAEMO C[C@H]([NH3+])Cc1cc([C@@H]2CCCO2)[nH]n1 306892868 345688330 /nfs/dbraw/zinc/68/83/30/345688330.db2.gz IYJODSWIAVWTGA-XVKPBYJWSA-N 1 1 195.266 1.151 10 0 ADAEMO COC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C)[C@H]1C 306891978 345688335 /nfs/dbraw/zinc/68/83/35/345688335.db2.gz IFTKDHPWBAFTQL-QEYWKRMJSA-N 1 1 199.294 1.524 10 0 ADAEMO C[C@H]([NH3+])Cc1cc([C@H]2CCCO2)[nH]n1 306892862 345688339 /nfs/dbraw/zinc/68/83/39/345688339.db2.gz IYJODSWIAVWTGA-OIBJUYFYSA-N 1 1 195.266 1.151 10 0 ADAEMO CC[C@]([NH3+])(CN)[C@H]1CC1(C)C 306900658 345691588 /nfs/dbraw/zinc/69/15/88/345691588.db2.gz FMYJSKPYVUJGNM-CBAPKCEASA-N 1 1 156.273 1.099 10 0 ADAEMO CCN1CC[C@@]([NH3+])(c2nccs2)C1 306909758 345695029 /nfs/dbraw/zinc/69/50/29/345695029.db2.gz HLVVVCHZUIYUFY-VIFPVBQESA-N 1 1 197.307 1.023 10 0 ADAEMO Cc1c[nH+]c(N2CC(C)(C)C2)c(N)c1 306913378 345695911 /nfs/dbraw/zinc/69/59/11/345695911.db2.gz SYQNYYXWEFWRLP-UHFFFAOYSA-N 1 1 191.278 1.818 10 0 ADAEMO C[N@H+]1CCC[C@H](CC(N)=S)C1 306913251 345695948 /nfs/dbraw/zinc/69/59/48/345695948.db2.gz SUXSFNJHKYWSSH-SSDOTTSWSA-N 1 1 172.297 1.004 10 0 ADAEMO C[N@H+]1CCC[C@@H](CC(N)=S)C1 306913252 345695969 /nfs/dbraw/zinc/69/59/69/345695969.db2.gz SUXSFNJHKYWSSH-ZETCQYMHSA-N 1 1 172.297 1.004 10 0 ADAEMO Cc1ccc(N[C@@H](C)[C@@H](C)O)[nH+]c1 306918895 345697959 /nfs/dbraw/zinc/69/79/59/345697959.db2.gz DEOCJISEXRYYFZ-DTWKUNHWSA-N 1 1 180.251 1.571 10 0 ADAEMO C[C@@H]([NH3+])Cc1cc([C@H]2CCCO2)[nH]n1 306892860 345688313 /nfs/dbraw/zinc/68/83/13/345688313.db2.gz IYJODSWIAVWTGA-GMSGAONNSA-N 1 1 195.266 1.151 10 0 ADAEMO COC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 306892302 345688315 /nfs/dbraw/zinc/68/83/15/345688315.db2.gz IFTKDHPWBAFTQL-XKNYDFJKSA-N 1 1 199.294 1.524 10 0 ADAEMO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC2=O)C1 306931985 345705268 /nfs/dbraw/zinc/70/52/68/345705268.db2.gz CFIDMEKSQLAVNS-HRDYMLBCSA-N 1 1 183.251 1.080 10 0 ADAEMO Cc1cnn(C)c1[C@@H]1[NH2+]CCS1 306982404 345733154 /nfs/dbraw/zinc/73/31/54/345733154.db2.gz ROHHBGWGMNYWEV-MRVPVSSYSA-N 1 1 183.280 1.064 10 0 ADAEMO C[C@@H]1CC[C@@H](CN2CC=CC2)C[NH2+]1 306971233 345726416 /nfs/dbraw/zinc/72/64/16/345726416.db2.gz RVTZSYHZUPSPHW-GHMZBOCLSA-N 1 1 180.295 1.246 10 0 ADAEMO C[C@@H]1CC[C@H](CN2CC=CC2)C[NH2+]1 306971234 345726434 /nfs/dbraw/zinc/72/64/34/345726434.db2.gz RVTZSYHZUPSPHW-MNOVXSKESA-N 1 1 180.295 1.246 10 0 ADAEMO C[C@H]1CCCC[N@@H+](CCN)C1 307003041 345745400 /nfs/dbraw/zinc/74/54/00/345745400.db2.gz BUFFNEOUNXEINL-VIFPVBQESA-N 1 1 156.273 1.067 10 0 ADAEMO C[C@H]1CCCCN(CC[NH3+])C1 307003041 345745401 /nfs/dbraw/zinc/74/54/01/345745401.db2.gz BUFFNEOUNXEINL-VIFPVBQESA-N 1 1 156.273 1.067 10 0 ADAEMO CO[C@H](C)C[N@H+]1CC[C@H](C)[C@H](F)C1 307018531 345756331 /nfs/dbraw/zinc/75/63/31/345756331.db2.gz RBADPYJMILULIG-IVZWLZJFSA-N 1 1 189.274 1.701 10 0 ADAEMO CC(C)C[N@H+]1C[C@H](N)C(C)(C)C1 307025365 345761852 /nfs/dbraw/zinc/76/18/52/345761852.db2.gz HCNJBDOKTUGGAA-VIFPVBQESA-N 1 1 170.300 1.312 10 0 ADAEMO CC(C)CN1C[C@H]([NH3+])C(C)(C)C1 307025365 345761853 /nfs/dbraw/zinc/76/18/53/345761853.db2.gz HCNJBDOKTUGGAA-VIFPVBQESA-N 1 1 170.300 1.312 10 0 ADAEMO C[C@H]1[C@H](O)CCC[N@H+]1CC1CC1 307032440 345767321 /nfs/dbraw/zinc/76/73/21/345767321.db2.gz LAIAVGGRFBZFLE-WCBMZHEXSA-N 1 1 169.268 1.242 10 0 ADAEMO C[C@H](C1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 307033389 345767889 /nfs/dbraw/zinc/76/78/89/345767889.db2.gz SPNWITLVKHKSOX-IEBDPFPHSA-N 1 1 180.295 1.079 10 0 ADAEMO Cc1c[nH]c(N2CC[C@@H](C)[C@@H]2C)[nH+]1 307036818 345769261 /nfs/dbraw/zinc/76/92/61/345769261.db2.gz ZFIHCMOAKWZORH-APPZFPTMSA-N 1 1 179.267 1.953 10 0 ADAEMO Cc1[nH+]cn(CC(=O)C2CCC2)c1C 307040085 345771942 /nfs/dbraw/zinc/77/19/42/345771942.db2.gz IXAXHCTZKNQCID-UHFFFAOYSA-N 1 1 192.262 1.869 10 0 ADAEMO C[C@H]1CC[C@H](NC[C@H]2CCC[NH2+]2)C1 307039476 345771953 /nfs/dbraw/zinc/77/19/53/345771953.db2.gz JTYKKAQNJIEGGU-GARJFASQSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@@H]1CC[C@H]1[NH2+]Cc1c[nH]cn1 307039982 345771965 /nfs/dbraw/zinc/77/19/65/345771965.db2.gz QMFAZERVKUSNJS-VXNVDRBHSA-N 1 1 165.240 1.298 10 0 ADAEMO CC1(C)CS[C@@H](c2cncnc2)[NH2+]1 307039608 345771969 /nfs/dbraw/zinc/77/19/69/345771969.db2.gz INAZUHNGKWPZJA-QMMMGPOBSA-N 1 1 195.291 1.590 10 0 ADAEMO C[C@H](c1cccn1C)[NH+]1CCOCC1 307060310 345785726 /nfs/dbraw/zinc/78/57/26/345785726.db2.gz JFNDRZJNAHQNTE-SNVBAGLBSA-N 1 1 194.278 1.418 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CCN[C@H](C)[C@@H]1C 307072296 345793617 /nfs/dbraw/zinc/79/36/17/345793617.db2.gz HYLVGKXYGYOSTR-VWYCJHECSA-N 1 1 184.327 1.713 10 0 ADAEMO CC1CC([N@H+]2CC[C@H]([NH3+])[C@H]2C)C1 307084998 345800584 /nfs/dbraw/zinc/80/05/84/345800584.db2.gz WYKNCLJDDFHHOT-RGWUEKKESA-N 1 1 168.284 1.206 10 0 ADAEMO CC1CC([N@@H+]2CC[C@H](N)[C@H]2C)C1 307084998 345800585 /nfs/dbraw/zinc/80/05/85/345800585.db2.gz WYKNCLJDDFHHOT-RGWUEKKESA-N 1 1 168.284 1.206 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1CCN2CCC[C@H]12 307049027 345777781 /nfs/dbraw/zinc/77/77/81/345777781.db2.gz CLEOJDCOMJTHQF-GHMZBOCLSA-N 1 1 182.311 1.563 10 0 ADAEMO C[C@@H](CN)[N@H+]1CCC2(CCC2)C1 307088692 345803643 /nfs/dbraw/zinc/80/36/43/345803643.db2.gz UDNWPXADNRMOKE-VIFPVBQESA-N 1 1 168.284 1.210 10 0 ADAEMO C[C@@H]([C@H]1C[C@H]1C)[N@H+]1CCC[C@@H](N)C1 307093088 345805865 /nfs/dbraw/zinc/80/58/65/345805865.db2.gz CJPANHRAEKCLKG-YTWAJWBKSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]([C@H]1C[C@H]1C)N1CCC[C@@H]([NH3+])C1 307093088 345805866 /nfs/dbraw/zinc/80/58/66/345805866.db2.gz CJPANHRAEKCLKG-YTWAJWBKSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]([C@H]1C[C@H]1C)[N@H+]1CCC[C@H](N)C1 307093087 345805870 /nfs/dbraw/zinc/80/58/70/345805870.db2.gz CJPANHRAEKCLKG-RCWTZXSCSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]([C@H]1C[C@H]1C)N1CCC[C@H]([NH3+])C1 307093087 345805871 /nfs/dbraw/zinc/80/58/71/345805871.db2.gz CJPANHRAEKCLKG-RCWTZXSCSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)[N@H+]1CCC[C@@H](N)C1 307093086 345805873 /nfs/dbraw/zinc/80/58/73/345805873.db2.gz CJPANHRAEKCLKG-DBIOUOCHSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)N1CCC[C@@H]([NH3+])C1 307093086 345805874 /nfs/dbraw/zinc/80/58/74/345805874.db2.gz CJPANHRAEKCLKG-DBIOUOCHSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@]1(C[NH3+])CC[N@H+](C2CCC2)C1 307092723 345805876 /nfs/dbraw/zinc/80/58/76/345805876.db2.gz BODPNABCOQGEKL-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)[N@H+]1CCC[C@H](N)C1 307093089 345805886 /nfs/dbraw/zinc/80/58/86/345805886.db2.gz CJPANHRAEKCLKG-ZNSHCXBVSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)N1CCC[C@H]([NH3+])C1 307093089 345805887 /nfs/dbraw/zinc/80/58/87/345805887.db2.gz CJPANHRAEKCLKG-ZNSHCXBVSA-N 1 1 182.311 1.454 10 0 ADAEMO CC[C@H](C)c1cc[nH+]c(NN)n1 307094899 345806786 /nfs/dbraw/zinc/80/67/86/345806786.db2.gz CGVXWGQUZCWYJJ-LURJTMIESA-N 1 1 166.228 1.276 10 0 ADAEMO CC(C)N1CCC[C@@H]2[NH2+]CCC[C@@H]21 307105167 345812523 /nfs/dbraw/zinc/81/25/23/345812523.db2.gz XMYRXQAODLLKDL-QWRGUYRKSA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 307151588 345844153 /nfs/dbraw/zinc/84/41/53/345844153.db2.gz DTFYHNYBWSEJBL-LMLFDSFASA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H]1C[C@H](C)[NH+]1Cc1cc[nH]n1 307184213 345873082 /nfs/dbraw/zinc/87/30/82/345873082.db2.gz BAUZWHLELGKQFB-YUMQZZPRSA-N 1 1 165.240 1.392 10 0 ADAEMO C[C@@H]1CC[C@H](N)C[N@H+]1C1CCCC1 307207704 345891513 /nfs/dbraw/zinc/89/15/13/345891513.db2.gz IPQGKFKSEBKONX-ZJUUUORDSA-N 1 1 182.311 1.741 10 0 ADAEMO CC[C@H](F)C[NH+]1C[C@@H](C)O[C@H](C)C1 307208102 345892055 /nfs/dbraw/zinc/89/20/55/345892055.db2.gz NSNIAIIWUJHPIR-BBBLOLIVSA-N 1 1 189.274 1.844 10 0 ADAEMO c1nc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c[nH]1 307211075 345894219 /nfs/dbraw/zinc/89/42/19/345894219.db2.gz SEZAVEQIDRNNQC-WCBMZHEXSA-N 1 1 177.251 1.394 10 0 ADAEMO c1nc(C[N@H+]2C[C@@H]3CCC[C@H]32)c[nH]1 307211075 345894220 /nfs/dbraw/zinc/89/42/20/345894220.db2.gz SEZAVEQIDRNNQC-WCBMZHEXSA-N 1 1 177.251 1.394 10 0 ADAEMO C[C@H]([C@H]1CC1(C)C)[N@@H+]1CCC(=O)C1 307230931 345907825 /nfs/dbraw/zinc/90/78/25/345907825.db2.gz OCCZGNVDJSKXQX-PSASIEDQSA-N 1 1 181.279 1.696 10 0 ADAEMO C[C@@H]1CN(c2[nH]cc[nH+]2)[C@@H](C)[C@H]1C 307232661 345909871 /nfs/dbraw/zinc/90/98/71/345909871.db2.gz CIAFZOFEBOLPLX-VGMNWLOBSA-N 1 1 179.267 1.890 10 0 ADAEMO C[C@@H]1CN(c2[nH]cc[nH+]2)[C@@H](C)[C@@H]1C 307232655 345909874 /nfs/dbraw/zinc/90/98/74/345909874.db2.gz CIAFZOFEBOLPLX-HLTSFMKQSA-N 1 1 179.267 1.890 10 0 ADAEMO C[C@@H]1C[N@@H+](C2(CN)CC2)C(C)(C)C1 307233030 345909886 /nfs/dbraw/zinc/90/98/86/345909886.db2.gz LWXIZTCVYSUSFN-VIFPVBQESA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CN(c2[nH]cc[nH+]2)[C@H](C)[C@H]1C 307232657 345909888 /nfs/dbraw/zinc/90/98/88/345909888.db2.gz CIAFZOFEBOLPLX-HRDYMLBCSA-N 1 1 179.267 1.890 10 0 ADAEMO C[C@@H]1CC[N@H+](C2(CN)CCC2)[C@@H]1C 307232833 345909908 /nfs/dbraw/zinc/90/99/08/345909908.db2.gz LSQBSQOOQVGBBC-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+][C@H]1CC1(C)C 307217757 345898312 /nfs/dbraw/zinc/89/83/12/345898312.db2.gz MZCIKLNUWKHZSH-RNJXMRFFSA-N 1 1 156.273 1.110 10 0 ADAEMO Cc1cnccc1C1=NNC(=[NH2+])CC1 307243171 345917715 /nfs/dbraw/zinc/91/77/15/345917715.db2.gz JXDRJFANLAYNTK-UHFFFAOYSA-N 1 1 188.234 1.245 10 0 ADAEMO [NH3+][C@H](c1nccs1)C1(CO)CCC1 307243153 345917749 /nfs/dbraw/zinc/91/77/49/345917749.db2.gz JWOOCSMNVHZEHK-SSDOTTSWSA-N 1 1 198.291 1.306 10 0 ADAEMO C[C@@H]1[C@@H](N)CCC[N@H+]1CC1CC1 307244526 345918276 /nfs/dbraw/zinc/91/82/76/345918276.db2.gz UTGILQDTLZNFRA-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1[C@@H]([NH3+])CCCN1CC1CC1 307244526 345918277 /nfs/dbraw/zinc/91/82/77/345918277.db2.gz UTGILQDTLZNFRA-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO C[NH+](C)C1(CN)CC(C)(C)C1 307255118 345926879 /nfs/dbraw/zinc/92/68/79/345926879.db2.gz AHBAPPBGWFVNIZ-UHFFFAOYSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccncc1 307255215 345926882 /nfs/dbraw/zinc/92/68/82/345926882.db2.gz ZEKSQCAJOWSSOF-ZJUUUORDSA-N 1 1 176.263 1.922 10 0 ADAEMO C1CC[C@@H]2CN(C3C[NH2+]C3)C[C@H]2C1 307271494 345938338 /nfs/dbraw/zinc/93/83/38/345938338.db2.gz CAUPPDGFQGZOPC-NXEZZACHSA-N 1 1 180.295 1.080 10 0 ADAEMO CSC(C)(C)c1ncc(C[NH3+])[nH]1 307271693 345938346 /nfs/dbraw/zinc/93/83/46/345938346.db2.gz SCAAMWCGGCNYPF-UHFFFAOYSA-N 1 1 185.296 1.467 10 0 ADAEMO C1CC[C@H]2C[N@@H+](C3CNC3)C[C@H]2C1 307271491 345938376 /nfs/dbraw/zinc/93/83/76/345938376.db2.gz CAUPPDGFQGZOPC-AOOOYVTPSA-N 1 1 180.295 1.080 10 0 ADAEMO C1CC[C@H]2CN(C3C[NH2+]C3)C[C@H]2C1 307271491 345938377 /nfs/dbraw/zinc/93/83/77/345938377.db2.gz CAUPPDGFQGZOPC-AOOOYVTPSA-N 1 1 180.295 1.080 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@@H]1NC1CCCCC1 307272248 345939074 /nfs/dbraw/zinc/93/90/74/345939074.db2.gz DMNKCNCGZYYRAX-ONGXEEELSA-N 1 1 182.311 1.659 10 0 ADAEMO C[C@H]1[NH2+]CC[C@H]1NC1CCCCC1 307272247 345939103 /nfs/dbraw/zinc/93/91/03/345939103.db2.gz DMNKCNCGZYYRAX-MWLCHTKSSA-N 1 1 182.311 1.659 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1NC1CCCCC1 307272245 345939123 /nfs/dbraw/zinc/93/91/23/345939123.db2.gz DMNKCNCGZYYRAX-GXSJLCMTSA-N 1 1 182.311 1.659 10 0 ADAEMO C[C@H]1[NH2+]CC[C@@H]1NC1CCCCC1 307272246 345939144 /nfs/dbraw/zinc/93/91/44/345939144.db2.gz DMNKCNCGZYYRAX-KOLCDFICSA-N 1 1 182.311 1.659 10 0 ADAEMO CO[C@@H]1CCC[C@H]1[N@H+]1CCC[C@@H](O)C1 307256757 345928005 /nfs/dbraw/zinc/92/80/05/345928005.db2.gz PIONCOUMTXKIHF-GMTAPVOTSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@H]1C[N@@H+](CCN)CC(C)(C)C1 307257551 345928415 /nfs/dbraw/zinc/92/84/15/345928415.db2.gz CCAKDEDWVRYASV-SECBINFHSA-N 1 1 170.300 1.313 10 0 ADAEMO CO[C@@]1(C)CC[N@H+]([C@@H]2CCC[C@H]2O)C1 307262212 345932520 /nfs/dbraw/zinc/93/25/20/345932520.db2.gz WLKNHYHKOQIYPI-MXWKQRLJSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1C[C@H](NC2CCCCC2)C[NH2+]1 307277313 345942932 /nfs/dbraw/zinc/94/29/32/345942932.db2.gz RJPROTUCRAJESM-KOLCDFICSA-N 1 1 182.311 1.659 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@@H]1NC1CCCC1 307297402 345954149 /nfs/dbraw/zinc/95/41/49/345954149.db2.gz UIFXNPIPKVNNMT-SCZZXKLOSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@H]([NH3+])[C@@](C)(F)[C@@H]1CCCCN1 307297918 345954156 /nfs/dbraw/zinc/95/41/56/345954156.db2.gz VOCHPJOTYIRYMP-XHNCKOQMSA-N 1 1 174.263 1.204 10 0 ADAEMO C[C@H](N)[C@@](C)(F)[C@@H]1CCCC[NH2+]1 307297918 345954157 /nfs/dbraw/zinc/95/41/57/345954157.db2.gz VOCHPJOTYIRYMP-XHNCKOQMSA-N 1 1 174.263 1.204 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1Cc1ncc[nH]1 307301583 345956624 /nfs/dbraw/zinc/95/66/24/345956624.db2.gz XSYHAIGOYXLQDW-SECBINFHSA-N 1 1 179.267 1.784 10 0 ADAEMO C[C@H]1CCCC[N@H+]1Cc1ncc[nH]1 307301585 345956657 /nfs/dbraw/zinc/95/66/57/345956657.db2.gz XSYHAIGOYXLQDW-VIFPVBQESA-N 1 1 179.267 1.784 10 0 ADAEMO CC[C@H](C)C[N@H+]1CCC[C@@H](N)[C@@H]1C 307305274 345958902 /nfs/dbraw/zinc/95/89/02/345958902.db2.gz CSIQIILZYDKYFL-GARJFASQSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H](C)CN1CCC[C@@H]([NH3+])[C@@H]1C 307305274 345958903 /nfs/dbraw/zinc/95/89/03/345958903.db2.gz CSIQIILZYDKYFL-GARJFASQSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H](C)C[N@H+]1CCC[C@H](N)[C@@H]1C 307305267 345958930 /nfs/dbraw/zinc/95/89/30/345958930.db2.gz CSIQIILZYDKYFL-DCAQKATOSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H](C)CN1CCC[C@H]([NH3+])[C@@H]1C 307305267 345958931 /nfs/dbraw/zinc/95/89/31/345958931.db2.gz CSIQIILZYDKYFL-DCAQKATOSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1C[C@H]([NH+]2CCC(=O)CC2)CS1 307309873 345962325 /nfs/dbraw/zinc/96/23/25/345962325.db2.gz DUPJQUYQBUWLNW-IUCAKERBSA-N 1 1 199.319 1.545 10 0 ADAEMO C[C@H]1C[C@@H]([NH+]2CCC(=O)CC2)CS1 307309871 345962331 /nfs/dbraw/zinc/96/23/31/345962331.db2.gz DUPJQUYQBUWLNW-DTWKUNHWSA-N 1 1 199.319 1.545 10 0 ADAEMO C[C@H]1C[NH2+]C[C@@H]1NC1CCCC1 307297404 345954184 /nfs/dbraw/zinc/95/41/84/345954184.db2.gz UIFXNPIPKVNNMT-WPRPVWTQSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@H]1NC1CCCC1 307297401 345954215 /nfs/dbraw/zinc/95/42/15/345954215.db2.gz UIFXNPIPKVNNMT-PSASIEDQSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@@H]1C[C@H]([NH+]2CCC(=O)CC2)CS1 307309870 345962342 /nfs/dbraw/zinc/96/23/42/345962342.db2.gz DUPJQUYQBUWLNW-BDAKNGLRSA-N 1 1 199.319 1.545 10 0 ADAEMO C[C@H]1C[N@@H+](C)CC[C@@]1(N)C(F)(F)F 307313264 345964393 /nfs/dbraw/zinc/96/43/93/345964393.db2.gz KAOFJNWCIMUHTA-BQBZGAKWSA-N 1 1 196.216 1.218 10 0 ADAEMO C/C=C/CNc1[nH+]cccc1N 307313286 345964412 /nfs/dbraw/zinc/96/44/12/345964412.db2.gz KCHHRIFAUBNTQX-NSCUHMNNSA-N 1 1 163.224 1.652 10 0 ADAEMO C[C@@H]1C[N@@H+](C)CC[C@]1(N)C(F)(F)F 307313267 345964426 /nfs/dbraw/zinc/96/44/26/345964426.db2.gz KAOFJNWCIMUHTA-RNFRBKRXSA-N 1 1 196.216 1.218 10 0 ADAEMO C[C@H]1C[N@@H+](C)CC[C@]1(N)C(F)(F)F 307313266 345964429 /nfs/dbraw/zinc/96/44/29/345964429.db2.gz KAOFJNWCIMUHTA-NKWVEPMBSA-N 1 1 196.216 1.218 10 0 ADAEMO NC(=S)C[N@H+]1CCC2(CCCC2)C1 307318319 345967949 /nfs/dbraw/zinc/96/79/49/345967949.db2.gz QGIGFWAXAZVECB-UHFFFAOYSA-N 1 1 198.335 1.539 10 0 ADAEMO C[C@@H]1C[C@@H]([NH+]2CCC(=O)CC2)CS1 307309874 345962398 /nfs/dbraw/zinc/96/23/98/345962398.db2.gz DUPJQUYQBUWLNW-RKDXNWHRSA-N 1 1 199.319 1.545 10 0 ADAEMO C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCC1(C)C 307329297 345974772 /nfs/dbraw/zinc/97/47/72/345974772.db2.gz LGZHSSREQSCMRB-OUAUKWLOSA-N 1 1 196.338 1.987 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1CCC1(C)C 307329294 345974943 /nfs/dbraw/zinc/97/49/43/345974943.db2.gz LGZHSSREQSCMRB-GMTAPVOTSA-N 1 1 196.338 1.987 10 0 ADAEMO CCCC[N@@H+]1C[C@@H](O)C[C@@H](C)C1 307330285 345975459 /nfs/dbraw/zinc/97/54/59/345975459.db2.gz XTXRQLZACGWSLZ-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO Cc1c[nH]c(N(C)C2CC2)[nH+]1 307330881 345975462 /nfs/dbraw/zinc/97/54/62/345975462.db2.gz OEXRTHJXWBYTSR-UHFFFAOYSA-N 1 1 151.213 1.317 10 0 ADAEMO CCC1([N@H+]2CCC(=O)C2)CCCC1 307346788 345985478 /nfs/dbraw/zinc/98/54/78/345985478.db2.gz MHTFHTQEKTZFOV-UHFFFAOYSA-N 1 1 181.279 1.984 10 0 ADAEMO C[C@H]([NH3+])CN1C[C@H]2CCCCC[C@@H]21 307323716 345971073 /nfs/dbraw/zinc/97/10/73/345971073.db2.gz JGEKGENPXTWPOY-AXFHLTTASA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](CN)[N@H+]1CCSCC[C@H]1C 307324466 345971804 /nfs/dbraw/zinc/97/18/04/345971804.db2.gz HQFKIXRXOWBSPO-RKDXNWHRSA-N 1 1 188.340 1.161 10 0 ADAEMO C[C@@H]1C[C@H](N)C[N@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 307357907 345992511 /nfs/dbraw/zinc/99/25/11/345992511.db2.gz XOCOITVOHVICHW-YBXAARCKSA-N 1 1 194.322 1.454 10 0 ADAEMO 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643528114 352994544 /nfs/dbraw/zinc/99/45/44/352994544.db2.gz ZQBKFUCZTIGVME-ZDCRXTMVSA-N 1 1 182.311 1.502 10 0 ADAEMO CCN[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C 643529973 352997437 /nfs/dbraw/zinc/99/74/37/352997437.db2.gz SPHPKXGMABPFDR-GWOFURMSSA-N 1 1 184.327 1.619 10 0 ADAEMO CC[C@H]([NH2+][C@H](C)[C@H](C)N)[C@@H]1C[C@H]1C 643540174 353001647 /nfs/dbraw/zinc/00/16/47/353001647.db2.gz WCWWOFVWHYKUDR-QGKZMRNZSA-N 1 1 184.327 1.746 10 0 ADAEMO C[C@H]([NH2+][C@H](C)Cc1ccoc1)[C@@H](C)N 643540176 353001674 /nfs/dbraw/zinc/00/16/74/353001674.db2.gz XZHXVKIQYNJZCZ-BBBLOLIVSA-N 1 1 196.294 1.536 10 0 ADAEMO C[C@H](N[C@H](C)Cc1ccoc1)[C@@H](C)[NH3+] 643540176 353001675 /nfs/dbraw/zinc/00/16/75/353001675.db2.gz XZHXVKIQYNJZCZ-BBBLOLIVSA-N 1 1 196.294 1.536 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)N[C@H](C)Cc1ccoc1 643540179 353002404 /nfs/dbraw/zinc/00/24/04/353002404.db2.gz XZHXVKIQYNJZCZ-UTLUCORTSA-N 1 1 196.294 1.536 10 0 ADAEMO CC[C@H](N)C[NH2+][C@H](C)[C@@H]1C[C@H]1C 643540851 353003181 /nfs/dbraw/zinc/00/31/81/353003181.db2.gz ZYTJMTXVMYJUBB-DOLQZWNJSA-N 1 1 170.300 1.358 10 0 ADAEMO CO[C@H](C)C[N@@H+](C[C@@H](C)O)C(C)C 656447835 409431430 /nfs/dbraw/zinc/43/14/30/409431430.db2.gz BAURJNBYUGIGAN-NXEZZACHSA-N 1 1 189.299 1.113 10 0 ADAEMO CNc1cc(N2CCC2)[nH+]c(C)n1 306426356 409567523 /nfs/dbraw/zinc/56/75/23/409567523.db2.gz VUHUVQBHFBFNMH-UHFFFAOYSA-N 1 1 178.239 1.037 10 0 ADAEMO CC(C)=CCC[N@H+]1CCOC[C@H](O)C1 660670483 409614230 /nfs/dbraw/zinc/61/42/30/409614230.db2.gz XFIXDXBGHBBGSJ-LLVKDONJSA-N 1 1 199.294 1.036 10 0 ADAEMO C[C@H]1C[N@@H+](CC2CC2)C[C@@H](C)[C@@H]1O 661623866 409651430 /nfs/dbraw/zinc/65/14/30/409651430.db2.gz STLICYJUJGRDGX-JZYVYDRUSA-N 1 1 183.295 1.345 10 0 ADAEMO CC(C)C[N@H+]1CCC[C@@](O)(C2CC2)C1 661633748 409651676 /nfs/dbraw/zinc/65/16/76/409651676.db2.gz TYQQNOZEPXQFJA-LBPRGKRZSA-N 1 1 197.322 1.879 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC[C@@H]1COC 307676779 409666988 /nfs/dbraw/zinc/66/69/88/409666988.db2.gz JLTWCZDZVZKLKV-RKDXNWHRSA-N 1 1 157.257 1.506 10 0 ADAEMO CC[C@H](C)C[N@@H+]1CC2CC1(CN)C2 662305842 409716625 /nfs/dbraw/zinc/71/66/25/409716625.db2.gz LUYHYRGFRRQXCV-WHXUTIOJSA-N 1 1 182.311 1.456 10 0 ADAEMO CC[N@@H+](C[C@@H](C)O)C1CC(C)(C)C1 665249856 409860311 /nfs/dbraw/zinc/86/03/11/409860311.db2.gz RNGMLFISZZSDLB-SECBINFHSA-N 1 1 185.311 1.878 10 0 ADAEMO CCCCCC[NH2+]CC(C)(C)N 149170853 325625012 /nfs/dbraw/zinc/62/50/12/325625012.db2.gz OGRIVWSLGIGFCS-UHFFFAOYSA-N 1 1 172.316 1.894 10 0 ADAEMO Cc1c[nH+]cn1CC(=O)NC(C)(C)C 527801676 325650875 /nfs/dbraw/zinc/65/08/75/325650875.db2.gz SNJABQIFTJGBLY-UHFFFAOYSA-N 1 1 195.266 1.106 10 0 ADAEMO CC(=O)Cn1cc[nH+]c1C1CC1 530133788 325664436 /nfs/dbraw/zinc/66/44/36/325664436.db2.gz GBFSXRXXQQRFNM-UHFFFAOYSA-N 1 1 164.208 1.350 10 0 ADAEMO CC[C@H]1CCCC[N@H+]1C 1639885 342953780 /nfs/dbraw/zinc/95/37/80/342953780.db2.gz NEDAUERTDZGLOW-QMMMGPOBSA-N 1 1 127.231 1.881 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1Cc1c[nH]cn1 16606 342924211 /nfs/dbraw/zinc/92/42/11/342924211.db2.gz RMWRSGFHUAZSIF-SNVBAGLBSA-N 1 1 179.267 1.437 10 0 ADAEMO CCc1cc2c(o1)C[N@@H+](C)CC2 10622 342924303 /nfs/dbraw/zinc/92/43/03/342924303.db2.gz NJASCAPNLUCKES-UHFFFAOYSA-N 1 1 165.236 1.830 10 0 ADAEMO CC(=O)C[C@@H]1CCC[N@@H+]1C 896062 342942078 /nfs/dbraw/zinc/94/20/78/342942078.db2.gz ADKXZIOQKHHDNQ-QMMMGPOBSA-N 1 1 141.214 1.060 10 0 in-vitro ADAEMO C[N@H+]1CCC[C@H]1c1ccc[nH]1 1561746 342947458 /nfs/dbraw/zinc/94/74/58/342947458.db2.gz BSNFRFHDDGCRMB-VIFPVBQESA-N 1 1 150.225 1.781 10 0 ADAEMO C[C@H]1CCCCC[N@@H+]1[C@H](C)CO 1593029 342949973 /nfs/dbraw/zinc/94/99/73/342949973.db2.gz FVWXIOMQEAADLO-VHSXEESVSA-N 1 1 171.284 1.632 10 0 ADAEMO CCCC[N@H+]1CCC=C(C(=O)OC)C1 1605103 342951562 /nfs/dbraw/zinc/95/15/62/342951562.db2.gz BTKYEBSLHFZNAO-UHFFFAOYSA-N 1 1 197.278 1.592 10 0 ADAEMO Cc1nc(C[NH+](C)C)c2cnccn12 1655515 342954447 /nfs/dbraw/zinc/95/44/47/342954447.db2.gz WVRZTTXAUJWBIH-UHFFFAOYSA-N 1 1 190.250 1.099 10 0 ADAEMO Cc1[nH+]c(CN(C)C)c2cnccn12 1655515 342954449 /nfs/dbraw/zinc/95/44/49/342954449.db2.gz WVRZTTXAUJWBIH-UHFFFAOYSA-N 1 1 190.250 1.099 10 0 ADAEMO CCc1nc(N)c(C)c(C)[nH+]1 1736156 342963526 /nfs/dbraw/zinc/96/35/26/342963526.db2.gz TVVBLCCMAVXQJK-UHFFFAOYSA-N 1 1 151.213 1.238 10 0 ADAEMO C[C@H]1CCC[N@@H+](C)C1 2036278 342967802 /nfs/dbraw/zinc/96/78/02/342967802.db2.gz ONQLCPDIXPYJSS-ZETCQYMHSA-N 1 1 113.204 1.348 10 0 ADAEMO C[N@H+]1CC[C@H](CO)[C@H]1c1cccnc1 2389577 342971951 /nfs/dbraw/zinc/97/19/51/342971951.db2.gz JJGXQIZRJPRSOS-GHMZBOCLSA-N 1 1 192.262 1.067 10 0 in-vitro ADAEMO C[N@H+]1CCC[C@@H]1c1ccccn1 2383108 342971977 /nfs/dbraw/zinc/97/19/77/342971977.db2.gz AQCRXZYYMOXFAN-SNVBAGLBSA-N 1 1 162.236 1.848 10 0 in-vitro ADAEMO CC(C)[N@H+]1C[C@@H](C)C[C@H](O)C1 2522366 342973663 /nfs/dbraw/zinc/97/36/63/342973663.db2.gz PFGQYPYZESSRNC-IUCAKERBSA-N 1 1 157.257 1.098 10 0 ADAEMO C[N@H+]1CCC[C@H]1c1ccccn1 3614761 342982781 /nfs/dbraw/zinc/98/27/81/342982781.db2.gz AQCRXZYYMOXFAN-JTQLQIEISA-N 1 1 162.236 1.848 10 0 in-vitro ADAEMO C[N@H+]1CCC[C@H]1c1cncc(F)c1 3633880 342982925 /nfs/dbraw/zinc/98/29/25/342982925.db2.gz WEACEDDYURLEPK-JTQLQIEISA-N 1 1 180.226 1.987 10 0 in-vitro ADAEMO C[N@H+]1CCC[C@@H]1c1cncc(F)c1 3633883 342982935 /nfs/dbraw/zinc/98/29/35/342982935.db2.gz WEACEDDYURLEPK-SNVBAGLBSA-N 1 1 180.226 1.987 10 0 ADAEMO C[N@H+]1CCC[C@H]1COc1cccnc1 3805141 342984552 /nfs/dbraw/zinc/98/45/52/342984552.db2.gz MVLJPWPLDPHKST-JTQLQIEISA-N 1 1 192.262 1.555 10 0 ADAEMO C1=[NH+]CCN1c1ccccc1 4773269 342995383 /nfs/dbraw/zinc/99/53/83/342995383.db2.gz YJBAUTPCBIGXHL-UHFFFAOYSA-N 1 1 146.193 1.535 10 0 ADAEMO CC[C@@H]1CCCC[N@H+]1C 5104105 342998549 /nfs/dbraw/zinc/99/85/49/342998549.db2.gz NEDAUERTDZGLOW-MRVPVSSYSA-N 1 1 127.231 1.881 10 0 ADAEMO C[N@@H+]1CC=C(c2ccc(N)cc2)CC1 5318431 343001157 /nfs/dbraw/zinc/00/11/57/343001157.db2.gz JVEFUUSABCMFKJ-UHFFFAOYSA-N 1 1 188.274 1.988 10 0 ADAEMO CC(C)[C@H]1CCC[N@H+]1C 5458089 343003003 /nfs/dbraw/zinc/00/30/03/343003003.db2.gz BYSFOADOCJNCMQ-MRVPVSSYSA-N 1 1 127.231 1.737 10 0 ADAEMO C[C@@H](CO)[N@H+]1CCCCC[C@@H]1C 5664792 343006126 /nfs/dbraw/zinc/00/61/26/343006126.db2.gz FVWXIOMQEAADLO-UWVGGRQHSA-N 1 1 171.284 1.632 10 0 ADAEMO C[C@@H](CO)[N@H+]1CCCCC[C@H]1C 5664790 343006211 /nfs/dbraw/zinc/00/62/11/343006211.db2.gz FVWXIOMQEAADLO-ZJUUUORDSA-N 1 1 171.284 1.632 10 0 ADAEMO C[C@H]1C[N@H+](C(C)(C)C)CCC1=O 5721221 343007165 /nfs/dbraw/zinc/00/71/65/343007165.db2.gz RCYFRLAFOOHCOH-QMMMGPOBSA-N 1 1 169.268 1.696 10 0 ADAEMO CC(C)[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 5760394 343007456 /nfs/dbraw/zinc/00/74/56/343007456.db2.gz AKETXTOLBLTPTP-DTORHVGOSA-N 1 1 167.252 1.591 10 0 in-vitro ADAEMO C[C@@H]1CCCCC[N@H+]1C 5763543 343007902 /nfs/dbraw/zinc/00/79/02/343007902.db2.gz YXXNLFWJYYKFTL-MRVPVSSYSA-N 1 1 127.231 1.881 10 0 ADAEMO CC(C)Sc1nnc(C[NH3+])o1 8039303 343017548 /nfs/dbraw/zinc/01/75/48/343017548.db2.gz XJIRLOKWNAIORQ-UHFFFAOYSA-N 1 1 173.241 1.029 10 0 ADAEMO C[N@H+]1CCC[C@H](C(F)(F)F)C1 6002144 343011208 /nfs/dbraw/zinc/01/12/08/343011208.db2.gz OKOBDQQFXGPXKN-LURJTMIESA-N 1 1 167.174 1.891 10 0 ADAEMO C[C@H]1CCC[N@H+]1C 6037545 343011841 /nfs/dbraw/zinc/01/18/41/343011841.db2.gz PXHHIBMOFPCBJQ-LURJTMIESA-N 1 1 99.177 1.101 10 0 ADAEMO C[N@H+]1CC[C@H]([C@H](O)c2cccnc2)C1 6712499 343015994 /nfs/dbraw/zinc/01/59/94/343015994.db2.gz QSINNZHLMQZOOX-WDEREUQCSA-N 1 1 192.262 1.067 10 0 in-vitro ADAEMO C[N@H+]1CCC[C@@H]1c1ccc[n+]([O-])c1 8552818 343018683 /nfs/dbraw/zinc/01/86/83/343018683.db2.gz YHXKVHQFWVYXIC-SNVBAGLBSA-N 1 1 178.235 1.087 10 0 ADAEMO C[C@H]([NH3+])c1nnc(-c2cccs2)o1 11586061 343022864 /nfs/dbraw/zinc/02/28/64/343022864.db2.gz ZHKGTXUPUYPCBR-YFKPBYRVSA-N 1 1 195.247 1.818 10 0 ADAEMO C[C@H]([NH3+])c1nnc(-c2cccnc2)o1 11586070 343022921 /nfs/dbraw/zinc/02/29/21/343022921.db2.gz VDGDKZVGNCXXNT-LURJTMIESA-N 1 1 190.206 1.151 10 0 ADAEMO Cc1cccc(-c2nnc(C[NH3+])o2)c1 11585610 343022957 /nfs/dbraw/zinc/02/29/57/343022957.db2.gz SBMFZABAGWXGLD-UHFFFAOYSA-N 1 1 189.218 1.504 10 0 ADAEMO CN1CCc2ccccc2[C@@H]1CC[NH3+] 11802475 343024469 /nfs/dbraw/zinc/02/44/69/343024469.db2.gz JPDZZNNZQSJJNB-LBPRGKRZSA-N 1 1 190.290 1.564 10 0 ADAEMO C[C@H]1CN(C)[C@H](C)C[C@@]1(C)[NH+](C)C 13511850 343035147 /nfs/dbraw/zinc/03/51/47/343035147.db2.gz BYGSDTVASMACLN-HBNTYKKESA-N 1 1 184.327 1.667 10 0 ADAEMO CCOC(=O)[C@H]1CC[N@H+]2CCC[C@@H]12 14684480 343039892 /nfs/dbraw/zinc/03/98/92/343039892.db2.gz FBZMBOHWVBVEDR-IUCAKERBSA-N 1 1 183.251 1.034 10 0 ADAEMO CCOC(=O)[C@@H]1CC[N@H+]2CCC[C@@H]12 14684479 343039897 /nfs/dbraw/zinc/03/98/97/343039897.db2.gz FBZMBOHWVBVEDR-BDAKNGLRSA-N 1 1 183.251 1.034 10 0 ADAEMO CC(C)Sc1ccc(NN)[nH+]n1 15829612 343042822 /nfs/dbraw/zinc/04/28/22/343042822.db2.gz RXTQLKSSFPFSGX-UHFFFAOYSA-N 1 1 184.268 1.263 10 0 ADAEMO C[C@H]1CCC[N@@H+]1C[C@@H](C)CO 16698205 343044807 /nfs/dbraw/zinc/04/48/07/343044807.db2.gz QIQBIBXACPCGTM-BDAKNGLRSA-N 1 1 157.257 1.099 10 0 ADAEMO CC(C)[N@H+]1COCO[C@@H]2CCC[C@H]21 16940953 343045214 /nfs/dbraw/zinc/04/52/14/343045214.db2.gz XQLWGNBBUDFALE-NXEZZACHSA-N 1 1 185.267 1.580 10 0 ADAEMO CC(C)[N@@H+]1COCO[C@@H]2CCC[C@H]21 16940953 343045213 /nfs/dbraw/zinc/04/52/13/343045213.db2.gz XQLWGNBBUDFALE-NXEZZACHSA-N 1 1 185.267 1.580 10 0 ADAEMO C[C@H]1CCn2cc[nH+]c2C1 18558580 343048975 /nfs/dbraw/zinc/04/89/75/343048975.db2.gz GBYRDZITMISMEX-ZETCQYMHSA-N 1 1 136.198 1.465 10 0 ADAEMO CN(C)Cc1cc(C[NH3+])ccc1F 19276647 343052555 /nfs/dbraw/zinc/05/25/55/343052555.db2.gz GHNHPYCMPFIOFX-UHFFFAOYSA-N 1 1 182.242 1.346 10 0 in-vitro ADAEMO C[C@H]1NCC[NH2+][C@@H]1c1ccccc1 19365055 343053302 /nfs/dbraw/zinc/05/33/02/343053302.db2.gz FGMBXZFXOUIKOT-KOLCDFICSA-N 1 1 176.263 1.309 10 0 ADAEMO C[C@H]1NCC[NH2+][C@H]1c1ccccc1 19365058 343053433 /nfs/dbraw/zinc/05/34/33/343053433.db2.gz FGMBXZFXOUIKOT-MWLCHTKSSA-N 1 1 176.263 1.309 10 0 ADAEMO CC(C)[N@H+]1C[C@@H]2CSC[C@H](C1)C2=O 19865433 343062542 /nfs/dbraw/zinc/06/25/42/343062542.db2.gz CNIJJDPWYJTYGE-DTORHVGOSA-N 1 1 199.319 1.259 10 0 ADAEMO CC(C)Nc1ccc(N)[nH+]c1 19953017 343065069 /nfs/dbraw/zinc/06/50/69/343065069.db2.gz SYJKHNDHKWZDBY-UHFFFAOYSA-N 1 1 151.213 1.484 10 0 ADAEMO CC[C@H](C)[C@H]([NH3+])c1nc(C)no1 20019228 343065801 /nfs/dbraw/zinc/06/58/01/343065801.db2.gz IBTFMUYKBNADIJ-FSPLSTOPSA-N 1 1 169.228 1.424 10 0 ADAEMO CC[C@H](C)[C@@H]([NH3+])c1nc(C)no1 20019220 343065865 /nfs/dbraw/zinc/06/58/65/343065865.db2.gz IBTFMUYKBNADIJ-CAHLUQPWSA-N 1 1 169.228 1.424 10 0 ADAEMO CC(C)[C@@H]([NH3+])CN1CCCCC1 20073666 343066747 /nfs/dbraw/zinc/06/67/47/343066747.db2.gz AEBCFQAXYZSMIZ-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC(C)[C@@H](N)C[NH+]1CCCCC1 20073666 343066749 /nfs/dbraw/zinc/06/67/49/343066749.db2.gz AEBCFQAXYZSMIZ-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC(C)[C@@H](N)C[NH+]1CCCC1 20071396 343066788 /nfs/dbraw/zinc/06/67/88/343066788.db2.gz YFGHMMMMWUCNNO-VIFPVBQESA-N 1 1 156.273 1.066 10 0 in-vitro ADAEMO CC(C)[C@@H]([NH3+])CN1CCCC1 20071396 343066789 /nfs/dbraw/zinc/06/67/89/343066789.db2.gz YFGHMMMMWUCNNO-VIFPVBQESA-N 1 1 156.273 1.066 10 0 in-vitro ADAEMO Cc1ccc(NC2CC2)[nH+]c1 20566160 343074263 /nfs/dbraw/zinc/07/42/63/343074263.db2.gz SFUDJBCWXHEIAM-UHFFFAOYSA-N 1 1 148.209 1.964 10 0 ADAEMO CN(C)Cc1ccccc1C(=[NH2+])NO 21953828 343076499 /nfs/dbraw/zinc/07/64/99/343076499.db2.gz WDPMSPUPTJUMOV-UHFFFAOYSA-N 1 1 193.250 1.052 10 0 ADAEMO Cc1[nH]cc(C(C)C)[nH+]1 21984349 343076942 /nfs/dbraw/zinc/07/69/42/343076942.db2.gz FWNOUILZZKVNQJ-UHFFFAOYSA-N 1 1 124.187 1.842 10 0 ADAEMO CC(C)(C)[C@@H](N)[C@H]([NH3+])C(C)(C)C 22009578 343077721 /nfs/dbraw/zinc/07/77/21/343077721.db2.gz WROMFDZPVVQJRK-YUMQZZPRSA-N 1 1 172.316 1.733 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@@H](O)c2cccnc2)C1 22063427 343078253 /nfs/dbraw/zinc/07/82/53/343078253.db2.gz QSINNZHLMQZOOX-MNOVXSKESA-N 1 1 192.262 1.067 10 0 ADAEMO CC[C@@H](CN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 22172086 343080338 /nfs/dbraw/zinc/08/03/38/343080338.db2.gz LHOFRNHNCOHNOX-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@H](CN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 22172089 343080344 /nfs/dbraw/zinc/08/03/44/343080344.db2.gz LHOFRNHNCOHNOX-OUAUKWLOSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@@H](CN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 22215993 343080630 /nfs/dbraw/zinc/08/06/30/343080630.db2.gz RYFVYHAAWFPUCR-GRYCIOLGSA-N 1 1 198.354 1.948 10 0 ADAEMO CC[C@@H](CN)[N@H+]1CCCC[C@@H]1C 22216347 343080636 /nfs/dbraw/zinc/08/06/36/343080636.db2.gz NMINNJPNCCLGIU-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@H](CN)[N@H+]1CCCC[C@@H]1C 22216353 343080741 /nfs/dbraw/zinc/08/07/41/343080741.db2.gz NMINNJPNCCLGIU-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)[C@H](CN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 22215995 343080884 /nfs/dbraw/zinc/08/08/84/343080884.db2.gz RYFVYHAAWFPUCR-TUAOUCFPSA-N 1 1 198.354 1.948 10 0 ADAEMO CC(C)N(C)c1ccc(N)c[nH+]1 22221656 343081197 /nfs/dbraw/zinc/08/11/97/343081197.db2.gz KKMQCVSDTIYINP-UHFFFAOYSA-N 1 1 165.240 1.508 10 0 ADAEMO CC(C)N(C)c1[nH+]cccc1N 22222346 343081420 /nfs/dbraw/zinc/08/14/20/343081420.db2.gz XKORTQXKRTURPJ-UHFFFAOYSA-N 1 1 165.240 1.508 10 0 ADAEMO C[C@H]1CCC[C@H](C)N1C[C@@H](C)[NH3+] 22220417 343081482 /nfs/dbraw/zinc/08/14/82/343081482.db2.gz ZCOKSKCQHVHUHP-UTLUCORTSA-N 1 1 170.300 1.597 10 0 ADAEMO C[N@H+]1C(C)(C)CCNCC1(C)C 22596210 343081628 /nfs/dbraw/zinc/08/16/28/343081628.db2.gz GLCAWCBOIKYYSW-UHFFFAOYSA-N 1 1 170.300 1.469 10 0 ADAEMO CN1C(C)(C)CC[NH2+]CC1(C)C 22596210 343081629 /nfs/dbraw/zinc/08/16/29/343081629.db2.gz GLCAWCBOIKYYSW-UHFFFAOYSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H]([NH3+])[C@@H](C)N1CCC(C)CC1 22565988 343081672 /nfs/dbraw/zinc/08/16/72/343081672.db2.gz CIGMXBLUVYEWLP-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO C[NH+](C)[C@@H]1Cc2ccccc2[C@H]1N 22564766 343081697 /nfs/dbraw/zinc/08/16/97/343081697.db2.gz LVZOLPHITQKEFS-GHMZBOCLSA-N 1 1 176.263 1.173 10 0 ADAEMO CC[C@H]([NH3+])[C@H](C)N1CCC(C)CC1 22565998 343081761 /nfs/dbraw/zinc/08/17/61/343081761.db2.gz CIGMXBLUVYEWLP-QWRGUYRKSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1N 22564996 343081771 /nfs/dbraw/zinc/08/17/71/343081771.db2.gz VGIPBSKEZVRKSA-WDEREUQCSA-N 1 1 184.327 1.987 10 0 ADAEMO CC(C)N(C)[C@@H]1CCCCC[C@@H]1[NH3+] 22564996 343081773 /nfs/dbraw/zinc/08/17/73/343081773.db2.gz VGIPBSKEZVRKSA-WDEREUQCSA-N 1 1 184.327 1.987 10 0 ADAEMO C[NH+](C)[C@H]1Cc2ccccc2[C@@H]1N 22564761 343081830 /nfs/dbraw/zinc/08/18/30/343081830.db2.gz LVZOLPHITQKEFS-QWRGUYRKSA-N 1 1 176.263 1.173 10 0 ADAEMO C[NH+](C)[C@H]1Cc2ccccc2[C@H]1N 22564771 343081846 /nfs/dbraw/zinc/08/18/46/343081846.db2.gz LVZOLPHITQKEFS-WDEREUQCSA-N 1 1 176.263 1.173 10 0 ADAEMO C[NH+](C)C[C@@H](N)c1ccccc1F 23067779 343082770 /nfs/dbraw/zinc/08/27/70/343082770.db2.gz HZZBUFWDMHDWDN-SNVBAGLBSA-N 1 1 182.242 1.387 10 0 ADAEMO C[N@@H+](C(C)(C)C)C(C)(C)CN 22951527 343082824 /nfs/dbraw/zinc/08/28/24/343082824.db2.gz IRZLMWMVBIBEIO-UHFFFAOYSA-N 1 1 158.289 1.454 10 0 ADAEMO CC[C@H]([NH3+])[C@@H](C)N1CCCCC1 23067191 343082828 /nfs/dbraw/zinc/08/28/28/343082828.db2.gz ZCSNGISAYWDMRG-ZJUUUORDSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@@H](N)[C@H](C)[NH+]1CCCC1 23066560 343082904 /nfs/dbraw/zinc/08/29/04/343082904.db2.gz GZPWUECYVMFUPA-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@H]([NH3+])[C@H](C)N1CCCCC1 23067193 343082909 /nfs/dbraw/zinc/08/29/09/343082909.db2.gz ZCSNGISAYWDMRG-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@H]1CNC[C@@H](C)[N@H+]1C1CCCC1 22910969 343082938 /nfs/dbraw/zinc/08/29/38/343082938.db2.gz DKKWIYPQQCJEMB-AOOOYVTPSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]([NH3+])[C@@H](C)N1CCCCC1 23067189 343082943 /nfs/dbraw/zinc/08/29/43/343082943.db2.gz ZCSNGISAYWDMRG-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@H](N)[C@H](C)[NH+]1CCCC1 23066562 343082950 /nfs/dbraw/zinc/08/29/50/343082950.db2.gz GZPWUECYVMFUPA-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CCC[C@@H]2N)C1 23068289 343082956 /nfs/dbraw/zinc/08/29/56/343082956.db2.gz ZLMVYIKGWDUCJI-WHOHXGKFSA-N 1 1 196.338 1.844 10 0 ADAEMO C[NH+](C)C[C@H](N)c1ccccc1F 23067781 343082989 /nfs/dbraw/zinc/08/29/89/343082989.db2.gz HZZBUFWDMHDWDN-JTQLQIEISA-N 1 1 182.242 1.387 10 0 ADAEMO CC[C@H]([NH3+])[C@H](C)N1CCCCC1 23067195 343082995 /nfs/dbraw/zinc/08/29/95/343082995.db2.gz ZCSNGISAYWDMRG-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@@H](N)[C@@H](C)[NH+]1CCCC1 23066557 343083004 /nfs/dbraw/zinc/08/30/04/343083004.db2.gz GZPWUECYVMFUPA-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@H](N)[C@@H](C)[N@H+]1CCCC[C@@H]1C 23069322 343083260 /nfs/dbraw/zinc/08/32/60/343083260.db2.gz DPGKJBHUFNPJFG-AXFHLTTASA-N 1 1 184.327 1.987 10 0 ADAEMO CC[C@H]([NH3+])[C@@H](C)N1CCCC[C@@H]1C 23069322 343083262 /nfs/dbraw/zinc/08/32/62/343083262.db2.gz DPGKJBHUFNPJFG-AXFHLTTASA-N 1 1 184.327 1.987 10 0 ADAEMO CN(C)[C@@H]1CCCCC[C@H]1[NH3+] 23070442 343083296 /nfs/dbraw/zinc/08/32/96/343083296.db2.gz HXBCNYLGCAGTHL-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO CN(C)[C@H]1CCCCC[C@H]1[NH3+] 23070443 343083304 /nfs/dbraw/zinc/08/33/04/343083304.db2.gz HXBCNYLGCAGTHL-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@H](N)[C@H](C)[N@H+]1CCCC[C@@H]1C 23069326 343083311 /nfs/dbraw/zinc/08/33/11/343083311.db2.gz DPGKJBHUFNPJFG-DCAQKATOSA-N 1 1 184.327 1.987 10 0 ADAEMO CC[C@H]([NH3+])[C@H](C)N1CCCC[C@@H]1C 23069326 343083313 /nfs/dbraw/zinc/08/33/13/343083313.db2.gz DPGKJBHUFNPJFG-DCAQKATOSA-N 1 1 184.327 1.987 10 0 ADAEMO CN(C)[C@H]1CCCCCC[C@@H]1[NH3+] 23069264 343083373 /nfs/dbraw/zinc/08/33/73/343083373.db2.gz MFJRDIFRRNSDQH-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](N(C)C)C1 23069942 343083493 /nfs/dbraw/zinc/08/34/93/343083493.db2.gz DPBRRQIRBCVDMK-BBBLOLIVSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@@H]1CC[C@H]([NH3+])[C@@H](N(C)C)C1 23069945 343083513 /nfs/dbraw/zinc/08/35/13/343083513.db2.gz DPBRRQIRBCVDMK-UTLUCORTSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C)[C@H]1CCCCC[C@@H]1[NH3+] 23070440 343083600 /nfs/dbraw/zinc/08/36/00/343083600.db2.gz HXBCNYLGCAGTHL-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1CCC[C@@H]1N 23071414 343083619 /nfs/dbraw/zinc/08/36/19/343083619.db2.gz YORPHHGTTYKTCX-DTWKUNHWSA-N 1 1 156.273 1.206 10 0 ADAEMO CC(C)N(C)[C@@H]1CCC[C@@H]1[NH3+] 23071414 343083621 /nfs/dbraw/zinc/08/36/21/343083621.db2.gz YORPHHGTTYKTCX-DTWKUNHWSA-N 1 1 156.273 1.206 10 0 ADAEMO CN(C)[C@@H]1CCCCCC[C@H]1[NH3+] 23069266 343083658 /nfs/dbraw/zinc/08/36/58/343083658.db2.gz MFJRDIFRRNSDQH-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO CN(C)[C@H]1CCCCCC[C@H]1[NH3+] 23069268 343083667 /nfs/dbraw/zinc/08/36/67/343083667.db2.gz MFJRDIFRRNSDQH-ZJUUUORDSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@H]1CCOCC[N@H+]1C 23699166 343083909 /nfs/dbraw/zinc/08/39/09/343083909.db2.gz DGZAMPGXJSSUAO-QMMMGPOBSA-N 1 1 143.230 1.117 10 0 ADAEMO CC[N@H+]1CCOCC[C@H]1C 23699242 343084110 /nfs/dbraw/zinc/08/41/10/343084110.db2.gz YDYVHZJXRKIZGB-MRVPVSSYSA-N 1 1 143.230 1.117 10 0 ADAEMO CCc1c[nH+]c2ccccn12 24550510 343085930 /nfs/dbraw/zinc/08/59/30/343085930.db2.gz LPCQSZCHIZUBED-UHFFFAOYSA-N 1 1 146.193 1.897 10 0 ADAEMO Cc1cc[nH+]c2c1OCCN2 24620120 343085958 /nfs/dbraw/zinc/08/59/58/343085958.db2.gz NYIDKPULWNVNGP-UHFFFAOYSA-N 1 1 150.181 1.194 10 0 ADAEMO C[N@H+]1CC[C@H]2CCCC[C@@H]21 25877052 343086944 /nfs/dbraw/zinc/08/69/44/343086944.db2.gz AWTMNUUIQAMREG-BDAKNGLRSA-N 1 1 139.242 1.881 10 0 ADAEMO C[N@H+]1CC[C@@H]2CCCC[C@@H]21 25877047 343087155 /nfs/dbraw/zinc/08/71/55/343087155.db2.gz AWTMNUUIQAMREG-IUCAKERBSA-N 1 1 139.242 1.881 10 0 ADAEMO C[N@H+]1CCC[C@H](F)C1 26176122 343087309 /nfs/dbraw/zinc/08/73/09/343087309.db2.gz ILKFXNHVQAQVMJ-LURJTMIESA-N 1 1 117.167 1.050 10 0 ADAEMO CN1CCc2ccc[nH+]c21 25923078 343087413 /nfs/dbraw/zinc/08/74/13/343087413.db2.gz XYLVEBCGEOVYAE-UHFFFAOYSA-N 1 1 134.182 1.074 10 0 ADAEMO Fc1c[nH]c2cc[nH+]cc12 26059915 343087582 /nfs/dbraw/zinc/08/75/82/343087582.db2.gz KUOOMFWUWYNGCW-UHFFFAOYSA-N 1 1 136.129 1.702 10 0 ADAEMO C[C@H]1CCCCC[N@H+]1C 31716296 343093664 /nfs/dbraw/zinc/09/36/64/343093664.db2.gz YXXNLFWJYYKFTL-QMMMGPOBSA-N 1 1 127.231 1.881 10 0 ADAEMO C[C@H]1CCc2[nH+]c(N)[nH]c2C1 31891112 343094442 /nfs/dbraw/zinc/09/44/42/343094442.db2.gz BPPRBOZBSZRHSQ-YFKPBYRVSA-N 1 1 151.213 1.117 10 0 ADAEMO C[C@H](N1CC[NH2+]CC1)C(C)(C)C 31996400 343095373 /nfs/dbraw/zinc/09/53/73/343095373.db2.gz KDYZGZKOBYHUAL-VIFPVBQESA-N 1 1 170.300 1.326 10 0 ADAEMO C[N@@H+](Cc1cccc(N)c1)C1CC1 32006939 343096049 /nfs/dbraw/zinc/09/60/49/343096049.db2.gz ZKNUYVAIAHIZGZ-UHFFFAOYSA-N 1 1 176.263 1.863 10 0 ADAEMO C[N@H+]1CC[C@@H](c2ccccn2)C1 32132591 343097686 /nfs/dbraw/zinc/09/76/86/343097686.db2.gz SJDKGBVMQRIWJB-SECBINFHSA-N 1 1 162.236 1.501 10 0 ADAEMO CCN1CC[N@@H+](CC)C[C@@H]1C 32157329 343098926 /nfs/dbraw/zinc/09/89/26/343098926.db2.gz DNPRCPUUZUVBMY-VIFPVBQESA-N 1 1 156.273 1.032 10 0 ADAEMO C[N@H+]1CC[C@H](c2ccccn2)C1 32132593 343097852 /nfs/dbraw/zinc/09/78/52/343097852.db2.gz SJDKGBVMQRIWJB-VIFPVBQESA-N 1 1 162.236 1.501 10 0 ADAEMO CCOC(=O)[C@@H]1CCCCC[N@H+]1C 32136179 343098236 /nfs/dbraw/zinc/09/82/36/343098236.db2.gz WDEKGIHZFOSLJT-VIFPVBQESA-N 1 1 185.267 1.424 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1C 32155904 343098889 /nfs/dbraw/zinc/09/88/89/343098889.db2.gz LPCWDBCEHWHJGX-MRVPVSSYSA-N 1 1 127.231 1.881 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1C 32155900 343098909 /nfs/dbraw/zinc/09/89/09/343098909.db2.gz LPCWDBCEHWHJGX-QMMMGPOBSA-N 1 1 127.231 1.881 10 0 ADAEMO CCN1CC[N@@H+](CC)[C@@H](C)C1 32157329 343098923 /nfs/dbraw/zinc/09/89/23/343098923.db2.gz DNPRCPUUZUVBMY-VIFPVBQESA-N 1 1 156.273 1.032 10 0 ADAEMO CCN1CC[N@H+](CC)C[C@@H]1C 32157329 343098924 /nfs/dbraw/zinc/09/89/24/343098924.db2.gz DNPRCPUUZUVBMY-VIFPVBQESA-N 1 1 156.273 1.032 10 0 ADAEMO CCCC[C@@H](C(=O)OC)[NH+](C)C 32161186 343098992 /nfs/dbraw/zinc/09/89/92/343098992.db2.gz OZQUQEWSJJCYPL-QMMMGPOBSA-N 1 1 173.256 1.280 10 0 ADAEMO CCCC[C@H](C(=O)OC)[NH+](C)C 32161184 343099024 /nfs/dbraw/zinc/09/90/24/343099024.db2.gz OZQUQEWSJJCYPL-MRVPVSSYSA-N 1 1 173.256 1.280 10 0 ADAEMO CC[C@H]1CCC[N@H+]1C 32228816 343101849 /nfs/dbraw/zinc/10/18/49/343101849.db2.gz IDQXZLKEWHBPCA-ZETCQYMHSA-N 1 1 113.204 1.491 10 0 ADAEMO C[N@@H+]1C[C@H]2C[C@@H](C1)[C@@H]1CCCCN1C2 32250152 343101898 /nfs/dbraw/zinc/10/18/98/343101898.db2.gz JHVZGAIDVLLSEV-WOPDTQHZSA-N 1 1 194.322 1.422 10 0 ADAEMO C[N@H+]1C[C@H]2C[C@@H](C1)[C@@H]1CCCCN1C2 32250152 343101899 /nfs/dbraw/zinc/10/18/99/343101899.db2.gz JHVZGAIDVLLSEV-WOPDTQHZSA-N 1 1 194.322 1.422 10 0 ADAEMO CC(=O)CC[N@@H+]1CC[C@@H]1C 32228592 343101930 /nfs/dbraw/zinc/10/19/30/343101930.db2.gz LFVIRLZLDZTNPG-ZETCQYMHSA-N 1 1 141.214 1.060 10 0 ADAEMO CC[C@@H]1CCC[N@H+]1C 32228814 343101979 /nfs/dbraw/zinc/10/19/79/343101979.db2.gz IDQXZLKEWHBPCA-SSDOTTSWSA-N 1 1 113.204 1.491 10 0 ADAEMO CC(=O)CC[N@@H+]1CC[C@H]1C 32228590 343102036 /nfs/dbraw/zinc/10/20/36/343102036.db2.gz LFVIRLZLDZTNPG-SSDOTTSWSA-N 1 1 141.214 1.060 10 0 ADAEMO CCC[N@H+]1C[C@@H]2CCC[C@H](C1)C2O 32629155 343103299 /nfs/dbraw/zinc/10/32/99/343103299.db2.gz GGFHVKMZUJQJFZ-ZACCUICWSA-N 1 1 183.295 1.489 10 0 ADAEMO CN1CCC[C@H]([C@@H]2CCCC[NH2+]2)C1 33717690 343106338 /nfs/dbraw/zinc/10/63/38/343106338.db2.gz JNYCBCGVMYGERE-QWRGUYRKSA-N 1 1 182.311 1.470 10 0 ADAEMO C=C/C=C/[NH+]1CCOCC1 33845230 343107273 /nfs/dbraw/zinc/10/72/73/343107273.db2.gz IWEIPICHXMWRJU-ONEGZZNKSA-N 1 1 139.198 1.018 10 0 ADAEMO CO[C@H]1CCC[N@H+](C(C)(C)C)C1 33899466 343107694 /nfs/dbraw/zinc/10/76/94/343107694.db2.gz FERPRAPNBPIJNE-VIFPVBQESA-N 1 1 171.284 1.896 10 0 ADAEMO CO[C@@H]1CCC[N@H+](C(C)(C)C)C1 33899468 343107948 /nfs/dbraw/zinc/10/79/48/343107948.db2.gz FERPRAPNBPIJNE-SECBINFHSA-N 1 1 171.284 1.896 10 0 ADAEMO C=C(C)C[C@H]([NH3+])C(=O)OC(C)(C)C 34060984 343109342 /nfs/dbraw/zinc/10/93/42/343109342.db2.gz HQVGCJRZCBKNRI-QMMMGPOBSA-N 1 1 185.267 1.622 10 0 ADAEMO C=C(C)C[C@@H]([NH3+])C(=O)OC(C)(C)C 34060985 343109376 /nfs/dbraw/zinc/10/93/76/343109376.db2.gz HQVGCJRZCBKNRI-MRVPVSSYSA-N 1 1 185.267 1.622 10 0 ADAEMO Cc1ccc(C(=O)C[NH3+])s1 34099784 343110120 /nfs/dbraw/zinc/11/01/20/343110120.db2.gz ZXXSOOQFZGARGJ-UHFFFAOYSA-N 1 1 155.222 1.198 10 0 ADAEMO Cc1cc(O)c(C)[nH+]c1C 34115181 343110899 /nfs/dbraw/zinc/11/08/99/343110899.db2.gz YBPAQCFQWIKFJH-UHFFFAOYSA-N 1 1 137.182 1.712 10 0 ADAEMO CCCN(C)CC[N@@H+](C)CCC 34160723 343111923 /nfs/dbraw/zinc/11/19/23/343111923.db2.gz AWPUGTRROZXCQF-UHFFFAOYSA-N 1 1 172.316 1.670 10 0 ADAEMO CCC[N@H+]1CCC[C@H](C(C)=O)C1 34162867 343112055 /nfs/dbraw/zinc/11/20/55/343112055.db2.gz NKXQUSMZKPGODT-JTQLQIEISA-N 1 1 169.268 1.697 10 0 ADAEMO CCC[N@H+]1CCC[C@@H](C(C)=O)C1 34162868 343112244 /nfs/dbraw/zinc/11/22/44/343112244.db2.gz NKXQUSMZKPGODT-SNVBAGLBSA-N 1 1 169.268 1.697 10 0 ADAEMO C[C@H]1CCCC[C@H]1OC(=O)[C@@H](C)[NH3+] 34212061 343113695 /nfs/dbraw/zinc/11/36/95/343113695.db2.gz FBCMNYSHUKBPDJ-DJLDLDEBSA-N 1 1 185.267 1.456 10 0 ADAEMO C[C@H]1CCCC[C@@H]1OC(=O)[C@@H](C)[NH3+] 34212059 343113717 /nfs/dbraw/zinc/11/37/17/343113717.db2.gz 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/nfs/dbraw/zinc/14/09/42/343140942.db2.gz CRABKEIJDAJEON-NSHDSACASA-N 1 1 192.262 1.272 10 0 ADAEMO CC[C@H]1CCC[N@@H+]([C@@H]2CCCNC2)C1 36169803 343141250 /nfs/dbraw/zinc/14/12/50/343141250.db2.gz PYWXWABJBFBAEX-NWDGAFQWSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1CCC[N@H+]([C@@H]2CCCNC2)C1 36169803 343141253 /nfs/dbraw/zinc/14/12/53/343141253.db2.gz PYWXWABJBFBAEX-NWDGAFQWSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2)C1 36169802 343141290 /nfs/dbraw/zinc/14/12/90/343141290.db2.gz PYWXWABJBFBAEX-VXGBXAGGSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H]1CCC[N@H+]([C@@H]2CCCNC2)C1 36169802 343141291 /nfs/dbraw/zinc/14/12/91/343141291.db2.gz PYWXWABJBFBAEX-VXGBXAGGSA-N 1 1 196.338 1.860 10 0 ADAEMO Cc1ccc(N)c2[nH+]ccn12 36226500 343142034 /nfs/dbraw/zinc/14/20/34/343142034.db2.gz GNEOSMWYSNIOFF-UHFFFAOYSA-N 1 1 147.181 1.225 10 0 ADAEMO Cc1cc(N)c[nH+]c1N1CCCC1 36241571 343142737 /nfs/dbraw/zinc/14/27/37/343142737.db2.gz HLLQRPYUSMHTND-UHFFFAOYSA-N 1 1 177.251 1.572 10 0 ADAEMO CC[C@H](N)C[N@H+]1CCC[C@@H]1C 37911208 343180620 /nfs/dbraw/zinc/18/06/20/343180620.db2.gz FZLOVXQQBLYGIC-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CCc1c[nH+]c2cc(CO)ccn12 36274037 343143343 /nfs/dbraw/zinc/14/33/43/343143343.db2.gz LTTONKQVKWSSTJ-UHFFFAOYSA-N 1 1 176.219 1.389 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1CCC[C@H]1C 37911666 343180647 /nfs/dbraw/zinc/18/06/47/343180647.db2.gz VHINAUNZJAORDI-SFYZADRCSA-N 1 1 155.241 1.448 10 0 ADAEMO C[C@H](CN)[N@@H+](C)C1CCCCCC1 36328246 343144503 /nfs/dbraw/zinc/14/45/03/343144503.db2.gz ROTGFSNLVHDRRN-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO C=C(F)C[C@@H]([NH3+])C(=O)OC(C)(C)C 36404629 343144777 /nfs/dbraw/zinc/14/47/77/343144777.db2.gz CIKIRIDCKNPYQV-SSDOTTSWSA-N 1 1 189.230 1.529 10 0 ADAEMO C[NH+](C)[C@H](O)c1ccccc1 36399552 343144825 /nfs/dbraw/zinc/14/48/25/343144825.db2.gz GALLYJPJRSKTMN-SECBINFHSA-N 1 1 151.209 1.239 10 0 ADAEMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 36404676 343144904 /nfs/dbraw/zinc/14/49/04/343144904.db2.gz 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/nfs/dbraw/zinc/15/05/30/343150530.db2.gz HCKVTQLRTKBDIG-VIFPVBQESA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)CCCCO 36786165 343150556 /nfs/dbraw/zinc/15/05/56/343150556.db2.gz HCKVTQLRTKBDIG-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1N 36787214 343150619 /nfs/dbraw/zinc/15/06/19/343150619.db2.gz HLCXPIJWMJJPLJ-GARJFASQSA-N 1 1 184.327 1.843 10 0 ADAEMO Cc1nc(C[NH3+])[nH]c1-c1ccccc1 36870948 343150811 /nfs/dbraw/zinc/15/08/11/343150811.db2.gz PBMDUKSVUFUTDP-UHFFFAOYSA-N 1 1 187.246 1.844 10 0 ADAEMO CC[C@H]([NH3+])CN1C[C@@H](C)C[C@H](C)C1 36871993 343151392 /nfs/dbraw/zinc/15/13/92/343151392.db2.gz AQPBTEBZLUCEPM-DCAQKATOSA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@H](N)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 36871991 343151624 /nfs/dbraw/zinc/15/16/24/343151624.db2.gz AQPBTEBZLUCEPM-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@H]([NH3+])CN1C[C@@H](C)C[C@@H](C)C1 36871991 343151627 /nfs/dbraw/zinc/15/16/27/343151627.db2.gz AQPBTEBZLUCEPM-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@@H](N)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 36871992 343151770 /nfs/dbraw/zinc/15/17/70/343151770.db2.gz AQPBTEBZLUCEPM-OUAUKWLOSA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@@H]([NH3+])CN1C[C@@H](C)C[C@@H](C)C1 36871992 343151771 /nfs/dbraw/zinc/15/17/71/343151771.db2.gz AQPBTEBZLUCEPM-OUAUKWLOSA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@H]([NH3+])c1ncc(C(F)(F)F)[nH]1 36872368 343152030 /nfs/dbraw/zinc/15/20/30/343152030.db2.gz QWADNMZUVUMYND-BYPYZUCNSA-N 1 1 193.172 1.838 10 0 ADAEMO CCc1[nH]c([C@@H](C)[NH3+])nc1C 36872321 343152080 /nfs/dbraw/zinc/15/20/80/343152080.db2.gz VPRXKLVURYTXMR-RXMQYKEDSA-N 1 1 153.229 1.300 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1N 36875053 343152120 /nfs/dbraw/zinc/15/21/20/343152120.db2.gz PXHCGVLYKKBCTC-OUAUKWLOSA-N 1 1 184.327 1.843 10 0 ADAEMO CC(C)N(C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 36875053 343152122 /nfs/dbraw/zinc/15/21/22/343152122.db2.gz PXHCGVLYKKBCTC-OUAUKWLOSA-N 1 1 184.327 1.843 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1N 36875054 343152212 /nfs/dbraw/zinc/15/22/12/343152212.db2.gz PXHCGVLYKKBCTC-GMTAPVOTSA-N 1 1 184.327 1.843 10 0 ADAEMO CC(C)N(C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 36875054 343152214 /nfs/dbraw/zinc/15/22/14/343152214.db2.gz PXHCGVLYKKBCTC-GMTAPVOTSA-N 1 1 184.327 1.843 10 0 ADAEMO CCc1[nH]c([C@@H]2CCC[NH2+]2)nc1C 36874152 343152313 /nfs/dbraw/zinc/15/23/13/343152313.db2.gz CWLBXCNUBARIFQ-VIFPVBQESA-N 1 1 179.267 1.705 10 0 ADAEMO CCc1[nH]c([C@H]2CCC[NH2+]2)nc1C 36874153 343152378 /nfs/dbraw/zinc/15/23/78/343152378.db2.gz CWLBXCNUBARIFQ-SECBINFHSA-N 1 1 179.267 1.705 10 0 ADAEMO CCc1[nH]c([C@H](C)[NH3+])nc1C 36872323 343152439 /nfs/dbraw/zinc/15/24/39/343152439.db2.gz VPRXKLVURYTXMR-YFKPBYRVSA-N 1 1 153.229 1.300 10 0 ADAEMO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C)C1 36878865 343152691 /nfs/dbraw/zinc/15/26/91/343152691.db2.gz DPBRRQIRBCVDMK-OPRDCNLKSA-N 1 1 170.300 1.454 10 0 ADAEMO CC1CCN([C@H](C[NH3+])C2CC2)CC1 36883874 343152798 /nfs/dbraw/zinc/15/27/98/343152798.db2.gz YXTNNEMIDOJMCM-LLVKDONJSA-N 1 1 182.311 1.456 10 0 ADAEMO CC1CCN([C@@H](C[NH3+])C2CC2)CC1 36883873 343152805 /nfs/dbraw/zinc/15/28/05/343152805.db2.gz YXTNNEMIDOJMCM-NSHDSACASA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1C[C@H](C)CN(C[C@@H](C)[NH3+])C1 36879605 343152830 /nfs/dbraw/zinc/15/28/30/343152830.db2.gz JYXDJWHFBOONFW-LPEHRKFASA-N 1 1 170.300 1.312 10 0 ADAEMO CC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C)C1 36878861 343152868 /nfs/dbraw/zinc/15/28/68/343152868.db2.gz DPBRRQIRBCVDMK-KXUCPTDWSA-N 1 1 170.300 1.454 10 0 ADAEMO CCc1[nH]c([C@H]2CCC[NH2+]C2)nc1C 36876476 343152877 /nfs/dbraw/zinc/15/28/77/343152877.db2.gz JWXLGAFKMJGBIL-VIFPVBQESA-N 1 1 193.294 1.748 10 0 ADAEMO CCc1[nH]c([C@@H]2CCC[NH2+]C2)nc1C 36876475 343152887 /nfs/dbraw/zinc/15/28/87/343152887.db2.gz JWXLGAFKMJGBIL-SECBINFHSA-N 1 1 193.294 1.748 10 0 ADAEMO CC(C)[C@H](CN)[N@H+]1CCCC[C@H]1C 36882744 343152940 /nfs/dbraw/zinc/15/29/40/343152940.db2.gz QFYPWLHQEGTDRA-MNOVXSKESA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1CCCC[N@H+]1[C@@H](CN)C1CC1 36883876 343152984 /nfs/dbraw/zinc/15/29/84/343152984.db2.gz PIPNSYPAHCLNSB-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C 36907469 343153642 /nfs/dbraw/zinc/15/36/42/343153642.db2.gz LDYUEKKZBOXMCU-MXWKQRLJSA-N 1 1 184.327 1.713 10 0 ADAEMO CCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C 36907433 343153687 /nfs/dbraw/zinc/15/36/87/343153687.db2.gz FDBQMCCLMAPZFJ-HBNTYKKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C 36907470 343153854 /nfs/dbraw/zinc/15/38/54/343153854.db2.gz LDYUEKKZBOXMCU-VWYCJHECSA-N 1 1 184.327 1.713 10 0 ADAEMO CCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C 36907431 343153966 /nfs/dbraw/zinc/15/39/66/343153966.db2.gz FDBQMCCLMAPZFJ-GARJFASQSA-N 1 1 184.327 1.715 10 0 ADAEMO Cc1c(C)n(C)c2nc[nH+]c(N)c12 36939020 343155411 /nfs/dbraw/zinc/15/54/11/343155411.db2.gz UWYNRSNJGIGIMS-UHFFFAOYSA-N 1 1 176.223 1.167 10 0 ADAEMO CCn1c(C)c(C)c2c(N)[nH+]cnc21 36939117 343155415 /nfs/dbraw/zinc/15/54/15/343155415.db2.gz OFPBDWLUSGOOSE-UHFFFAOYSA-N 1 1 190.250 1.650 10 0 ADAEMO Cc1[nH+]ccn1C[C@@H](C)C(N)=S 36987062 343157395 /nfs/dbraw/zinc/15/73/95/343157395.db2.gz VJDPHDACDJHRHG-ZCFIWIBFSA-N 1 1 183.280 1.114 10 0 ADAEMO Cc1[nH+]ccn1C[C@H](C)C(N)=S 36987063 343157473 /nfs/dbraw/zinc/15/74/73/343157473.db2.gz VJDPHDACDJHRHG-LURJTMIESA-N 1 1 183.280 1.114 10 0 ADAEMO CC(C)Nc1ccc[nH+]c1N(C)C 37028962 343158132 /nfs/dbraw/zinc/15/81/32/343158132.db2.gz DHQCSKXDUGTIEI-UHFFFAOYSA-N 1 1 179.267 1.968 10 0 ADAEMO CN(C)c1[nH+]cccc1NCC1CC1 37029046 343158141 /nfs/dbraw/zinc/15/81/41/343158141.db2.gz JNRMKHUGBPSGJB-UHFFFAOYSA-N 1 1 191.278 1.970 10 0 ADAEMO CC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1N 37078626 343158250 /nfs/dbraw/zinc/15/82/50/343158250.db2.gz WIPNJOPNGAANSY-KXUCPTDWSA-N 1 1 170.300 1.454 10 0 ADAEMO CCN(C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37078626 343158251 /nfs/dbraw/zinc/15/82/51/343158251.db2.gz WIPNJOPNGAANSY-KXUCPTDWSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C1CC1)[C@H]1CCCC[C@@H]1[NH3+] 37080984 343158260 /nfs/dbraw/zinc/15/82/60/343158260.db2.gz AVRXTXXXPHJLHM-UWVGGRQHSA-N 1 1 168.284 1.351 10 0 ADAEMO CN(c1ccc(N)c[nH+]1)C1CC1 37080603 343158270 /nfs/dbraw/zinc/15/82/70/343158270.db2.gz XKJFCURIOCZLKO-UHFFFAOYSA-N 1 1 163.224 1.262 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@@H](C)CC(C)C 37073991 343158322 /nfs/dbraw/zinc/15/83/22/343158322.db2.gz JBLCLZDGKMSJOJ-IUCAKERBSA-N 1 1 187.283 1.572 10 0 ADAEMO CN(C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 37080983 343158369 /nfs/dbraw/zinc/15/83/69/343158369.db2.gz AVRXTXXXPHJLHM-VHSXEESVSA-N 1 1 168.284 1.351 10 0 ADAEMO CN(C1CC1)[C@H]1CCCCC[C@@H]1[NH3+] 37080920 343158402 /nfs/dbraw/zinc/15/84/02/343158402.db2.gz XGCJIPJHQAHZOX-QWRGUYRKSA-N 1 1 182.311 1.741 10 0 ADAEMO C[N@H+](C1CC1)[C@H]1CCCCC[C@@H]1N 37080920 343158404 /nfs/dbraw/zinc/15/84/04/343158404.db2.gz XGCJIPJHQAHZOX-QWRGUYRKSA-N 1 1 182.311 1.741 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1N 37080920 343158406 /nfs/dbraw/zinc/15/84/06/343158406.db2.gz XGCJIPJHQAHZOX-QWRGUYRKSA-N 1 1 182.311 1.741 10 0 ADAEMO C[N@@H+](C1CC1)C1(CN)CCCC1 37080821 343158450 /nfs/dbraw/zinc/15/84/50/343158450.db2.gz RLSBTFWTZYVWOC-UHFFFAOYSA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@H]1CCC[C@@](CN)([N@@H+](C)C2CC2)C1 37080841 343158462 /nfs/dbraw/zinc/15/84/62/343158462.db2.gz XBJLATQNOBZKGP-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CCC[C@@](C[NH3+])(N(C)C2CC2)C1 37080841 343158464 /nfs/dbraw/zinc/15/84/64/343158464.db2.gz XBJLATQNOBZKGP-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@@H]1N 37079829 343158494 /nfs/dbraw/zinc/15/84/94/343158494.db2.gz BYKURFBOOCWJJX-ADEWGFFLSA-N 1 1 196.338 1.987 10 0 ADAEMO CCN(C1CC1)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37079829 343158495 /nfs/dbraw/zinc/15/84/95/343158495.db2.gz BYKURFBOOCWJJX-ADEWGFFLSA-N 1 1 196.338 1.987 10 0 ADAEMO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C2CC2)C1 37081079 343158502 /nfs/dbraw/zinc/15/85/02/343158502.db2.gz GGWSTQCEXJHCQY-YUSALJHKSA-N 1 1 196.338 1.987 10 0 ADAEMO CC1CCC(CN)([N@@H+](C)C2CC2)CC1 37080834 343158535 /nfs/dbraw/zinc/15/85/35/343158535.db2.gz OECPCUFOBTYVCI-UHFFFAOYSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1CCC(C[NH3+])(N(C)C2CC2)CC1 37080834 343158537 /nfs/dbraw/zinc/15/85/37/343158537.db2.gz OECPCUFOBTYVCI-UHFFFAOYSA-N 1 1 196.338 1.988 10 0 ADAEMO C[N@@H+](C1CC1)C1(CN)CCCCC1 37080817 343158605 /nfs/dbraw/zinc/15/86/05/343158605.db2.gz BGKWUWQCEDWZQN-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CN(C1CC1)C1(C[NH3+])CCCCC1 37080817 343158607 /nfs/dbraw/zinc/15/86/07/343158607.db2.gz BGKWUWQCEDWZQN-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CN(c1[nH+]cccc1N)C1CC1 37080599 343158617 /nfs/dbraw/zinc/15/86/17/343158617.db2.gz FVOGLPQKFJUQIG-UHFFFAOYSA-N 1 1 163.224 1.262 10 0 ADAEMO CC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C2CC2)C1 37081077 343158716 /nfs/dbraw/zinc/15/87/16/343158716.db2.gz GGWSTQCEXJHCQY-ADEWGFFLSA-N 1 1 196.338 1.987 10 0 ADAEMO CN(c1ccc(N)[nH+]c1)C1CC1 37080594 343158729 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1.598 10 0 ADAEMO CCC(C)(C)[N@H+]1CC[C@H](N)C1 37241727 343163737 /nfs/dbraw/zinc/16/37/37/343163737.db2.gz HOLKJFNMKMBDEJ-QMMMGPOBSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@H]1CCCC[C@H]1[N@@H+]1CCC(=O)C1 37240031 343163759 /nfs/dbraw/zinc/16/37/59/343163759.db2.gz HZAVWQLZSHIOTK-GXSJLCMTSA-N 1 1 181.279 1.840 10 0 ADAEMO C[C@H]1CCCC[C@H]1[N@H+]1CCC(=O)C1 37240031 343163761 /nfs/dbraw/zinc/16/37/61/343163761.db2.gz HZAVWQLZSHIOTK-GXSJLCMTSA-N 1 1 181.279 1.840 10 0 ADAEMO CCC(C)(C)[N@H+]1CC[C@@H](N)C1 37241729 343163767 /nfs/dbraw/zinc/16/37/67/343163767.db2.gz HOLKJFNMKMBDEJ-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CC[C@H](N)C1 37242358 343163799 /nfs/dbraw/zinc/16/37/99/343163799.db2.gz BIGXRTZQXKXIGW-IUCAKERBSA-N 1 1 156.273 1.064 10 0 ADAEMO CCC(C)(C)[N@@H+]1CC[C@@H](NC)C1 37241719 343163804 /nfs/dbraw/zinc/16/38/04/343163804.db2.gz JSORZTUEERMGHC-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO CCC(C)(C)[N@H+]1CC[C@@H](NC)C1 37241719 343163805 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181.279 1.840 10 0 ADAEMO C[C@H]1CCC[C@H]([N@H+]2CCC(=O)C2)C1 37255765 343164425 /nfs/dbraw/zinc/16/44/25/343164425.db2.gz BLSGWLYZISMOBV-UWVGGRQHSA-N 1 1 181.279 1.840 10 0 ADAEMO CC(C)[N@@H+](C)Cc1ccc(O)c(N)c1 37272257 343165017 /nfs/dbraw/zinc/16/50/17/343165017.db2.gz XFCYCTWRKLSENQ-UHFFFAOYSA-N 1 1 194.278 1.815 10 0 ADAEMO C[C@H]1CCC[N@H+]([C@@H]2CCCC2=O)C1 37332560 343165124 /nfs/dbraw/zinc/16/51/24/343165124.db2.gz OFXOHMUTRNHQPA-VHSXEESVSA-N 1 1 181.279 1.840 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCCC1=O 37334233 343165191 /nfs/dbraw/zinc/16/51/91/343165191.db2.gz FEDFPCSSYUBCNN-VIFPVBQESA-N 1 1 167.252 1.592 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1CCCCC1=O 37332999 343165204 /nfs/dbraw/zinc/16/52/04/343165204.db2.gz KPDBRBNEQGTGLP-VIFPVBQESA-N 1 1 169.268 1.838 10 0 ADAEMO Cc1ccc2nc(C[C@@H](C)[NH3+])[nH]c2c1 37288926 343165214 /nfs/dbraw/zinc/16/52/14/343165214.db2.gz LUPHKPBDCISIBG-MRVPVSSYSA-N 1 1 189.262 1.761 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCC1=O 37334243 343165233 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10 0 ADAEMO C[C@H]1CCC[N@@H+](CC2(N)CCCC2)C1 37479568 343171083 /nfs/dbraw/zinc/17/10/83/343171083.db2.gz FGHCKEJWXARWRM-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO C[C@H]1CCCN(CC2([NH3+])CCCC2)C1 37479568 343171085 /nfs/dbraw/zinc/17/10/85/343171085.db2.gz FGHCKEJWXARWRM-NSHDSACASA-N 1 1 196.338 1.990 10 0 ADAEMO C[N@H+]1CC[C@@H](Cn2cc[nH]c2=S)C1 37485208 343171383 /nfs/dbraw/zinc/17/13/83/343171383.db2.gz MSXQZSDMUVNOQI-MRVPVSSYSA-N 1 1 197.307 1.497 10 0 ADAEMO C[N@H+]1CC[C@@H](Cn2cccc2C=O)C1 37485248 343171427 /nfs/dbraw/zinc/17/14/27/343171427.db2.gz XNCTZLIPGTYWOD-SNVBAGLBSA-N 1 1 192.262 1.252 10 0 ADAEMO C[N@H+]1CC[C@H](Cn2cccc2)C1 37485253 343171472 /nfs/dbraw/zinc/17/14/72/343171472.db2.gz PLLHBJCTCCOSNL-JTQLQIEISA-N 1 1 164.252 1.440 10 0 ADAEMO C[N@H+]1CC[C@H](Cn2cc[nH]c2=S)C1 37485207 343171550 /nfs/dbraw/zinc/17/15/50/343171550.db2.gz MSXQZSDMUVNOQI-QMMMGPOBSA-N 1 1 197.307 1.497 10 0 ADAEMO C[N@H+]1CC[C@@H](Cn2cccc2)C1 37485254 343171565 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10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)[C@@H](C)N)C1 41053694 343228252 /nfs/dbraw/zinc/22/82/52/343228252.db2.gz FYSHZENZBDQKMH-YTWAJWBKSA-N 1 1 184.327 1.700 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@@H+](C)C1CCCCC1 41053744 343228381 /nfs/dbraw/zinc/22/83/81/343228381.db2.gz JFSXZEQLXPHBDX-VHSXEESVSA-N 1 1 184.327 1.987 10 0 ADAEMO CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)N 41053890 343228393 /nfs/dbraw/zinc/22/83/93/343228393.db2.gz ZCKGALFJSIJNHZ-KXUCPTDWSA-N 1 1 170.300 1.597 10 0 ADAEMO CC1CCN([C@@H](C)[C@H](C)[NH3+])CC1 41053703 343228441 /nfs/dbraw/zinc/22/84/41/343228441.db2.gz BSCMMXIJSQAGLU-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H](N)[C@H](C)[N@@H+](C)C1CCCC1 41053794 343228479 /nfs/dbraw/zinc/22/84/79/343228479.db2.gz OVSSOWJSHQUPLM-IUCAKERBSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)N(C)C1CCCC1 41053794 343228481 /nfs/dbraw/zinc/22/84/81/343228481.db2.gz OVSSOWJSHQUPLM-IUCAKERBSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C)N1CCCCC1 41053736 343228499 /nfs/dbraw/zinc/22/84/99/343228499.db2.gz MBIRHZCLRSGTMC-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@H](N)[C@H](C)[N@@H+](C)C1CCCCC1 41053746 343228529 /nfs/dbraw/zinc/22/85/29/343228529.db2.gz JFSXZEQLXPHBDX-UWVGGRQHSA-N 1 1 184.327 1.987 10 0 ADAEMO CCC[N@@H+](C)[C@@H](C)[C@@H](C)N 41053802 343228553 /nfs/dbraw/zinc/22/85/53/343228553.db2.gz NIBZCFUYLOWTPS-SFYZADRCSA-N 1 1 144.262 1.064 10 0 ADAEMO CCCN(C)[C@@H](C)[C@@H](C)[NH3+] 41053802 343228554 /nfs/dbraw/zinc/22/85/54/343228554.db2.gz NIBZCFUYLOWTPS-SFYZADRCSA-N 1 1 144.262 1.064 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)N1CCCCCC1 41053730 343228612 /nfs/dbraw/zinc/22/86/12/343228612.db2.gz MFVHRHIFYRTFKC-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)[N@@H+](C)[C@H](C)[C@@H](C)N 41053735 343228639 /nfs/dbraw/zinc/22/86/39/343228639.db2.gz AYXHWABFKUDKDC-HTQZYQBOSA-N 1 1 144.262 1.062 10 0 ADAEMO CC(C)N(C)[C@H](C)[C@@H](C)[NH3+] 41053735 343228641 /nfs/dbraw/zinc/22/86/41/343228641.db2.gz AYXHWABFKUDKDC-HTQZYQBOSA-N 1 1 144.262 1.062 10 0 ADAEMO CCC[N@@H+](C)[C@H](C)[C@@H](C)N 41053803 343228784 /nfs/dbraw/zinc/22/87/84/343228784.db2.gz NIBZCFUYLOWTPS-HTQZYQBOSA-N 1 1 144.262 1.064 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H](C)[C@@H](C)N 41053734 343228713 /nfs/dbraw/zinc/22/87/13/343228713.db2.gz AYXHWABFKUDKDC-SFYZADRCSA-N 1 1 144.262 1.062 10 0 ADAEMO CC(C)N(C)[C@@H](C)[C@@H](C)[NH3+] 41053734 343228715 /nfs/dbraw/zinc/22/87/15/343228715.db2.gz AYXHWABFKUDKDC-SFYZADRCSA-N 1 1 144.262 1.062 10 0 ADAEMO CC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)N 41053790 343228735 /nfs/dbraw/zinc/22/87/35/343228735.db2.gz JZUULQCRAKAFKZ-OUAUKWLOSA-N 1 1 184.327 1.987 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@@H+](C)C1CCCC1 41053792 343228746 /nfs/dbraw/zinc/22/87/46/343228746.db2.gz OVSSOWJSHQUPLM-DTWKUNHWSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C)N(C)C1CCCC1 41053792 343228748 /nfs/dbraw/zinc/22/87/48/343228748.db2.gz OVSSOWJSHQUPLM-DTWKUNHWSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C)N1CCCCCC1 41053728 343228801 /nfs/dbraw/zinc/22/88/01/343228801.db2.gz MFVHRHIFYRTFKC-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@H]([NH3+])Cc1nc(C2CCCC2)n[nH]1 41058838 343229048 /nfs/dbraw/zinc/22/90/48/343229048.db2.gz LBAJDQVHYVMTTH-ZETCQYMHSA-N 1 1 194.282 1.352 10 0 ADAEMO CC(C)c1n[nH]c(C2CC[NH2+]CC2)n1 41058525 343229065 /nfs/dbraw/zinc/22/90/65/343229065.db2.gz ZOEHVBVTIRDXHW-UHFFFAOYSA-N 1 1 194.282 1.395 10 0 ADAEMO CC(C)c1nc(C2CC[NH2+]CC2)n[nH]1 41058525 343229067 /nfs/dbraw/zinc/22/90/67/343229067.db2.gz ZOEHVBVTIRDXHW-UHFFFAOYSA-N 1 1 194.282 1.395 10 0 ADAEMO CC(C)c1n[nH]c([C@@H]2CCC[NH2+]C2)n1 41058536 343229388 /nfs/dbraw/zinc/22/93/88/343229388.db2.gz NYDMVYDOUSWVEW-MRVPVSSYSA-N 1 1 194.282 1.395 10 0 ADAEMO CC(C)c1nc([C@@H]2CCC[NH2+]C2)n[nH]1 41058536 343229389 /nfs/dbraw/zinc/22/93/89/343229389.db2.gz NYDMVYDOUSWVEW-MRVPVSSYSA-N 1 1 194.282 1.395 10 0 ADAEMO Cc1nc(C[NH3+])[nH]c1-c1cccs1 41062172 343230172 /nfs/dbraw/zinc/23/01/72/343230172.db2.gz CVOIYQKMWUCCRA-UHFFFAOYSA-N 1 1 193.275 1.905 10 0 ADAEMO C[C@H]1CNCC[N@H+]1C(C)(C)C 41167323 343230454 /nfs/dbraw/zinc/23/04/54/343230454.db2.gz YOHIRKLTNQUQSH-QMMMGPOBSA-N 1 1 156.273 1.079 10 0 ADAEMO C[C@H]1C[NH2+]CCN1C(C)(C)C 41167323 343230456 /nfs/dbraw/zinc/23/04/56/343230456.db2.gz YOHIRKLTNQUQSH-QMMMGPOBSA-N 1 1 156.273 1.079 10 0 ADAEMO CCC[N@H+]1CCNC(C)(C)C1 41167309 343230595 /nfs/dbraw/zinc/23/05/95/343230595.db2.gz LEQWLOCJCGTISA-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO CCCN1CC[NH2+]C(C)(C)C1 41167309 343230596 /nfs/dbraw/zinc/23/05/96/343230596.db2.gz LEQWLOCJCGTISA-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO CCc1nc([C@@H]([NH3+])C(C)(C)C)no1 41121474 343230674 /nfs/dbraw/zinc/23/06/74/343230674.db2.gz RPIUPDAQVKAIBO-SSDOTTSWSA-N 1 1 183.255 1.678 10 0 ADAEMO C[C@H]1CNC(C)(C)C[N@@H+]1C1CC1 41168199 343230896 /nfs/dbraw/zinc/23/08/96/343230896.db2.gz VQFHVFKHILCBLK-QMMMGPOBSA-N 1 1 168.284 1.221 10 0 ADAEMO C[C@H]1CNC(C)(C)C[N@H+]1C1CC1 41168199 343230900 /nfs/dbraw/zinc/23/09/00/343230900.db2.gz 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/nfs/dbraw/zinc/23/10/18/343231018.db2.gz CDSOXISMQQESBS-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CCCN1CC(C)(C)[NH2+]C[C@@H]1C 41168365 343231020 /nfs/dbraw/zinc/23/10/20/343231020.db2.gz CDSOXISMQQESBS-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CC(C)[N@H+]1CC(C)(C)NC[C@@H]1C 41168370 343231211 /nfs/dbraw/zinc/23/12/11/343231211.db2.gz CNAMMUJCYWWEPB-VIFPVBQESA-N 1 1 170.300 1.467 10 0 ADAEMO CC(C)N1CC(C)(C)[NH2+]C[C@@H]1C 41168370 343231213 /nfs/dbraw/zinc/23/12/13/343231213.db2.gz CNAMMUJCYWWEPB-VIFPVBQESA-N 1 1 170.300 1.467 10 0 ADAEMO CC1(C)C[N@H+](C2CCCC2)CCN1 41202210 343231743 /nfs/dbraw/zinc/23/17/43/343231743.db2.gz BQMVQPQMRSHWQS-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CCCC[N@H+]1CC(C)(C)NC[C@H]1C 41202847 343231749 /nfs/dbraw/zinc/23/17/49/343231749.db2.gz JZISBHGTNYMOEE-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCCCN1CC(C)(C)[NH2+]C[C@H]1C 41202847 343231751 /nfs/dbraw/zinc/23/17/51/343231751.db2.gz JZISBHGTNYMOEE-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCCC[N@H+]1CC(C)(C)NC[C@@H]1C 41202844 343231888 /nfs/dbraw/zinc/23/18/88/343231888.db2.gz JZISBHGTNYMOEE-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCCCN1CC(C)(C)[NH2+]C[C@@H]1C 41202844 343231890 /nfs/dbraw/zinc/23/18/90/343231890.db2.gz JZISBHGTNYMOEE-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H](C)[N@H+]1CC(C)(C)NC[C@@H]1C 41202859 343231902 /nfs/dbraw/zinc/23/19/02/343231902.db2.gz SXYDMGVFFQXPJX-UWVGGRQHSA-N 1 1 184.327 1.857 10 0 ADAEMO Cc1ccc(C)c([C@@H]2CNCC[NH2+]2)c1 41205113 343232104 /nfs/dbraw/zinc/23/21/04/343232104.db2.gz DYHQHNCWXLBGCZ-LBPRGKRZSA-N 1 1 190.290 1.537 10 0 ADAEMO Cc1ccc(C)c([C@H]2CNCC[NH2+]2)c1 41205114 343232116 /nfs/dbraw/zinc/23/21/16/343232116.db2.gz DYHQHNCWXLBGCZ-GFCCVEGCSA-N 1 1 190.290 1.537 10 0 ADAEMO Cc1ccc([C@@H]2CNCC[NH2+]2)c(C)c1 41205115 343232281 /nfs/dbraw/zinc/23/22/81/343232281.db2.gz XRFFLIAWYLCZFV-LBPRGKRZSA-N 1 1 190.290 1.537 10 0 ADAEMO Cc1ccc([C@H]2CNCC[NH2+]2)c(C)c1 41205116 343232243 /nfs/dbraw/zinc/23/22/43/343232243.db2.gz XRFFLIAWYLCZFV-GFCCVEGCSA-N 1 1 190.290 1.537 10 0 ADAEMO C[C@H]1CCC[N@@H+](CCN(C)C)C1 41362657 343233062 /nfs/dbraw/zinc/23/30/62/343233062.db2.gz LKAGSEFRDBRTAI-JTQLQIEISA-N 1 1 170.300 1.280 10 0 ADAEMO Cc1ccc2[nH]c(C[NH+](C)C)nc2c1 41580061 343234852 /nfs/dbraw/zinc/23/48/52/343234852.db2.gz RQFHTNVFZNEMKG-UHFFFAOYSA-N 1 1 189.262 1.933 10 0 ADAEMO Cc1ccc2nc(C[NH+](C)C)[nH]c2c1 41580061 343234853 /nfs/dbraw/zinc/23/48/53/343234853.db2.gz RQFHTNVFZNEMKG-UHFFFAOYSA-N 1 1 189.262 1.933 10 0 ADAEMO C[NH+](C)Cc1nc2cc(F)ccc2[nH]1 41580063 343235238 /nfs/dbraw/zinc/23/52/38/343235238.db2.gz PKCNHYKORYSFPO-UHFFFAOYSA-N 1 1 193.225 1.764 10 0 ADAEMO C[C@H]1CCC[C@]([NH3+])(c2nc[nH]n2)C1 42040692 343236856 /nfs/dbraw/zinc/23/68/56/343236856.db2.gz URZLNNQAROQRSF-IONNQARKSA-N 1 1 180.255 1.169 10 0 ADAEMO CCC1CCC([NH3+])(c2nc[nH]n2)CC1 42040678 343236890 /nfs/dbraw/zinc/23/68/90/343236890.db2.gz IQJDIDKNICWXNK-UHFFFAOYSA-N 1 1 194.282 1.559 10 0 ADAEMO C[C@H]1CCC[C@@]([NH3+])(c2nc[nH]n2)C1 42040698 343236903 /nfs/dbraw/zinc/23/69/03/343236903.db2.gz URZLNNQAROQRSF-CBAPKCEASA-N 1 1 180.255 1.169 10 0 ADAEMO CC(C)c1nnc(C[C@H]2CCC[NH2+]2)[nH]1 42164356 343237379 /nfs/dbraw/zinc/23/73/79/343237379.db2.gz VCWAPQUNIGMANV-MRVPVSSYSA-N 1 1 194.282 1.223 10 0 ADAEMO CC(C)c1nc(C[C@H]2CCC[NH2+]2)n[nH]1 42164356 343237380 /nfs/dbraw/zinc/23/73/80/343237380.db2.gz VCWAPQUNIGMANV-MRVPVSSYSA-N 1 1 194.282 1.223 10 0 ADAEMO CC(C)c1nc(C[C@@H]2CCC[NH2+]2)n[nH]1 42164355 343237486 /nfs/dbraw/zinc/23/74/86/343237486.db2.gz VCWAPQUNIGMANV-QMMMGPOBSA-N 1 1 194.282 1.223 10 0 ADAEMO CCC[N@H+](CC(C)=O)CC1CC1 42207679 343237946 /nfs/dbraw/zinc/23/79/46/343237946.db2.gz DAWVLMTWKWVCTR-UHFFFAOYSA-N 1 1 169.268 1.697 10 0 ADAEMO C[C@H]1CC[N@@H+]([C@@H]2CCCNC2)C1 42278899 343239604 /nfs/dbraw/zinc/23/96/04/343239604.db2.gz JWSRDHAROOKJKG-VHSXEESVSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H]2CCCNC2)C1 42278899 343239606 /nfs/dbraw/zinc/23/96/06/343239606.db2.gz JWSRDHAROOKJKG-VHSXEESVSA-N 1 1 168.284 1.080 10 0 ADAEMO COC(=O)[C@@H](C)[NH2+][C@@H](C)CC(C)C 42304275 343240027 /nfs/dbraw/zinc/24/00/27/343240027.db2.gz JBLCLZDGKMSJOJ-DTWKUNHWSA-N 1 1 187.283 1.572 10 0 ADAEMO CCc1[nH+]ccn1[C@H]1CCC[C@@H]1O 42304892 343240084 /nfs/dbraw/zinc/24/00/84/343240084.db2.gz AENRIQLDAYKMAS-IUCAKERBSA-N 1 1 180.251 1.531 10 0 ADAEMO C[C@H]([NH3+])c1nc(CC(F)(F)F)no1 42413022 343241748 /nfs/dbraw/zinc/24/17/48/343241748.db2.gz POHWJZMJNJXTSE-VKHMYHEASA-N 1 1 195.144 1.194 10 0 ADAEMO CCc1[nH+]ccn1[C@H]1CCCC[C@H]1O 42420089 343242271 /nfs/dbraw/zinc/24/22/71/343242271.db2.gz UJQISZLUXFMMAZ-VHSXEESVSA-N 1 1 194.278 1.922 10 0 ADAEMO CCc1[nH+]ccn1[C@@H]1CCCC[C@H]1O 42420088 343242327 /nfs/dbraw/zinc/24/23/27/343242327.db2.gz UJQISZLUXFMMAZ-NXEZZACHSA-N 1 1 194.278 1.922 10 0 ADAEMO CCC1CCN([C@H]2CCC[C@H]2[NH3+])CC1 42446659 343242531 /nfs/dbraw/zinc/24/25/31/343242531.db2.gz BHJBFYQDAXOIAQ-NEPJUHHUSA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1cccc(N2CCC[C@H]2CO)[nH+]1 42434568 343242540 /nfs/dbraw/zinc/24/25/40/343242540.db2.gz ROJSKYFIYIYFAL-JTQLQIEISA-N 1 1 192.262 1.351 10 0 ADAEMO CCC1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 42446657 343242552 /nfs/dbraw/zinc/24/25/52/343242552.db2.gz BHJBFYQDAXOIAQ-VXGBXAGGSA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1cccc(N2CCC[C@@H]2CO)[nH+]1 42434567 343242631 /nfs/dbraw/zinc/24/26/31/343242631.db2.gz ROJSKYFIYIYFAL-SNVBAGLBSA-N 1 1 192.262 1.351 10 0 ADAEMO CCC1CCN([C@H]2CCC[C@@H]2[NH3+])CC1 42446656 343242650 /nfs/dbraw/zinc/24/26/50/343242650.db2.gz BHJBFYQDAXOIAQ-RYUDHWBXSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H](O)C[N@H+]1CCCSCC1 42444410 343242677 /nfs/dbraw/zinc/24/26/77/343242677.db2.gz PRLYWBGVFZKTMT-VIFPVBQESA-N 1 1 189.324 1.196 10 0 ADAEMO CCC1CCN([C@@H]2CCC[C@@H]2[NH3+])CC1 42446654 343242751 /nfs/dbraw/zinc/24/27/51/343242751.db2.gz BHJBFYQDAXOIAQ-NWDGAFQWSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H](O)C[N@H+]1CCCSCC1 42444412 343242816 /nfs/dbraw/zinc/24/28/16/343242816.db2.gz PRLYWBGVFZKTMT-SECBINFHSA-N 1 1 189.324 1.196 10 0 ADAEMO CCC1CCN(C(C)(C)C[NH3+])CC1 42446432 343242951 /nfs/dbraw/zinc/24/29/51/343242951.db2.gz FEGBKFWVKFQYBZ-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO C[N@@H+](Cc1ccoc1)[C@H]1CCC[C@@H]1O 42448517 343243281 /nfs/dbraw/zinc/24/32/81/343243281.db2.gz QTAXYMHLNFLAMA-QWRGUYRKSA-N 1 1 195.262 1.625 10 0 ADAEMO C[N@@H+](Cc1ccoc1)CC(C)(C)O 42448523 343243307 /nfs/dbraw/zinc/24/33/07/343243307.db2.gz NRZAWGGYIMREFD-UHFFFAOYSA-N 1 1 183.251 1.482 10 0 ADAEMO C[N@@H+](Cc1ccoc1)[C@@H]1CCC[C@@H]1O 42448515 343243420 /nfs/dbraw/zinc/24/34/20/343243420.db2.gz QTAXYMHLNFLAMA-MNOVXSKESA-N 1 1 195.262 1.625 10 0 ADAEMO CC1CCC(OC(=O)[C@@H](C)[NH3+])CC1 42462846 343243707 /nfs/dbraw/zinc/24/37/07/343243707.db2.gz NCCWOZDXJKLBIX-QJAFJHJLSA-N 1 1 185.267 1.456 10 0 ADAEMO C[C@@H](CN)[N@@H+](C)[C@H]1CCC[C@@H](C)C1 42492409 343244192 /nfs/dbraw/zinc/24/41/92/343244192.db2.gz JHSLRXZCJNNDRE-VWYCJHECSA-N 1 1 184.327 1.844 10 0 ADAEMO CC1CCC([N@H+](C)[C@@H](C)CN)CC1 42472912 343244330 /nfs/dbraw/zinc/24/43/30/343244330.db2.gz GGALYCULLLCVNN-YVNMAJEFSA-N 1 1 184.327 1.844 10 0 ADAEMO C[N@H+]1CC[C@H](Nc2cccc(N)c2)C1 42544922 343245745 /nfs/dbraw/zinc/24/57/45/343245745.db2.gz PLDDQQABOROKIJ-NSHDSACASA-N 1 1 191.278 1.385 10 0 ADAEMO C[N@H+]1CC[C@H](n2cc[nH]c2=S)C1 42548277 343246013 /nfs/dbraw/zinc/24/60/13/343246013.db2.gz LAEZXOCODBNRDQ-ZETCQYMHSA-N 1 1 183.280 1.422 10 0 ADAEMO Cc1cccc(N[C@H]2CC[N@H+](C)C2)n1 42548157 343246105 /nfs/dbraw/zinc/24/61/05/343246105.db2.gz IBZGMCWSJRNJAP-JTQLQIEISA-N 1 1 191.278 1.506 10 0 ADAEMO Cc1csc(N[C@H]2CC[N@H+](C)C2)n1 42548220 343246121 /nfs/dbraw/zinc/24/61/21/343246121.db2.gz CRJKXEFVRYVMCR-QMMMGPOBSA-N 1 1 197.307 1.568 10 0 ADAEMO C[N@H+]1CC[C@@H](n2cccc2C=O)C1 42548824 343246139 /nfs/dbraw/zinc/24/61/39/343246139.db2.gz VDNHXEUAHGKOPM-SECBINFHSA-N 1 1 178.235 1.177 10 0 ADAEMO Cc1ccc(N[C@H]2CC[N@H+](C)C2)nc1 42548244 343246171 /nfs/dbraw/zinc/24/61/71/343246171.db2.gz AGFXKZGTRHWLPB-JTQLQIEISA-N 1 1 191.278 1.506 10 0 ADAEMO C[N@H+]1CC[C@H](Nc2ccc(F)cn2)C1 42547998 343246254 /nfs/dbraw/zinc/24/62/54/343246254.db2.gz LQALHGGWKAKCCW-VIFPVBQESA-N 1 1 195.241 1.337 10 0 ADAEMO Cc1ccc(C)n1[C@@H]1CC[N@H+](C)C1 42548851 343246354 /nfs/dbraw/zinc/24/63/54/343246354.db2.gz YUEVCTPWYHDISY-LLVKDONJSA-N 1 1 178.279 1.982 10 0 ADAEMO Cc1ccc(N[C@@H]2CC[N@H+](C)C2)nc1 42548241 343246364 /nfs/dbraw/zinc/24/63/64/343246364.db2.gz AGFXKZGTRHWLPB-SNVBAGLBSA-N 1 1 191.278 1.506 10 0 ADAEMO Cc1cccc(N[C@@H]2CC[N@H+](C)C2)n1 42548154 343246387 /nfs/dbraw/zinc/24/63/87/343246387.db2.gz IBZGMCWSJRNJAP-SNVBAGLBSA-N 1 1 191.278 1.506 10 0 ADAEMO Cc1ccc(C)n1[C@H]1CC[N@H+](C)C1 42548854 343246447 /nfs/dbraw/zinc/24/64/47/343246447.db2.gz YUEVCTPWYHDISY-NSHDSACASA-N 1 1 178.279 1.982 10 0 ADAEMO C[N@H+]1CC[C@@H](Nc2ccc(F)cn2)C1 42548001 343246543 /nfs/dbraw/zinc/24/65/43/343246543.db2.gz LQALHGGWKAKCCW-SECBINFHSA-N 1 1 195.241 1.337 10 0 ADAEMO C[N@H+]1CC[C@H](Nc2ccccn2)C1 42548010 343246548 /nfs/dbraw/zinc/24/65/48/343246548.db2.gz CRFOTYGTKYWKQU-VIFPVBQESA-N 1 1 177.251 1.198 10 0 ADAEMO C[N@H+]1CC[C@H](n2cccc2C=O)C1 42548821 343246554 /nfs/dbraw/zinc/24/65/54/343246554.db2.gz VDNHXEUAHGKOPM-VIFPVBQESA-N 1 1 178.235 1.177 10 0 ADAEMO C[N@H+]1CC[C@H](Nc2cccc(F)n2)C1 42550009 343246715 /nfs/dbraw/zinc/24/67/15/343246715.db2.gz FIPDSKFCCODDEV-QMMMGPOBSA-N 1 1 195.241 1.337 10 0 ADAEMO CC[C@@H](C)[C@@H](C)[N@@H+]1CCC(=O)C1 42556545 343246722 /nfs/dbraw/zinc/24/67/22/343246722.db2.gz SQMPNKAXLJGIHW-RKDXNWHRSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@@H](C)[C@@H](C)[N@H+]1CCC(=O)C1 42556545 343246724 /nfs/dbraw/zinc/24/67/24/343246724.db2.gz SQMPNKAXLJGIHW-RKDXNWHRSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@H](C)[C@@H](C)[N@@H+]1CCC(=O)C1 42556548 343246772 /nfs/dbraw/zinc/24/67/72/343246772.db2.gz SQMPNKAXLJGIHW-DTWKUNHWSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCC(=O)C1 42556548 343246773 /nfs/dbraw/zinc/24/67/73/343246773.db2.gz SQMPNKAXLJGIHW-DTWKUNHWSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@@H](C)[C@H](C)[N@@H+]1CCC(=O)C1 42556551 343246843 /nfs/dbraw/zinc/24/68/43/343246843.db2.gz SQMPNKAXLJGIHW-BDAKNGLRSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@@H](C)[C@H](C)[N@H+]1CCC(=O)C1 42556551 343246846 /nfs/dbraw/zinc/24/68/46/343246846.db2.gz SQMPNKAXLJGIHW-BDAKNGLRSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@H](C)[C@H](C)[N@@H+]1CCC(=O)C1 42556554 343246985 /nfs/dbraw/zinc/24/69/85/343246985.db2.gz SQMPNKAXLJGIHW-IUCAKERBSA-N 1 1 169.268 1.696 10 0 ADAEMO CC[C@H](C)[C@H](C)[N@H+]1CCC(=O)C1 42556554 343246987 /nfs/dbraw/zinc/24/69/87/343246987.db2.gz SQMPNKAXLJGIHW-IUCAKERBSA-N 1 1 169.268 1.696 10 0 ADAEMO C[N@H+]1CC[C@@H](Nc2cccc(F)n2)C1 42550012 343247074 /nfs/dbraw/zinc/24/70/74/343247074.db2.gz FIPDSKFCCODDEV-MRVPVSSYSA-N 1 1 195.241 1.337 10 0 ADAEMO CCC1CCC([N@H+]2CC[C@H](N)C2)CC1 42580703 343247963 /nfs/dbraw/zinc/24/79/63/343247963.db2.gz HTUAUSPTOILHRU-CXQJBGSLSA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1cccc([C@@H](CN)[NH+](C)C)c1C 43314485 343251121 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/nfs/dbraw/zinc/37/54/94/343375494.db2.gz AJMJTPPQHYTGTF-SECBINFHSA-N 1 1 156.273 1.079 10 0 ADAEMO CC(C)N1CCC[NH2+]C[C@H]1C 62566353 343375497 /nfs/dbraw/zinc/37/54/97/343375497.db2.gz AJMJTPPQHYTGTF-SECBINFHSA-N 1 1 156.273 1.079 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1 62566907 343375605 /nfs/dbraw/zinc/37/56/05/343375605.db2.gz KSQKZPHMTMNDPT-MNOVXSKESA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[N@H+]1CCCN[C@@H](C)C1 62566367 343375621 /nfs/dbraw/zinc/37/56/21/343375621.db2.gz UYXLKXGHHBSOMG-VIFPVBQESA-N 1 1 156.273 1.079 10 0 ADAEMO CC(C)N1CCC[NH2+][C@@H](C)C1 62566367 343375623 /nfs/dbraw/zinc/37/56/23/343375623.db2.gz UYXLKXGHHBSOMG-VIFPVBQESA-N 1 1 156.273 1.079 10 0 ADAEMO CC1(C)CNCC[N@H+]1C1CCCC1 62566920 343375631 /nfs/dbraw/zinc/37/56/31/343375631.db2.gz ADGODGRRNQSNCP-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)[N@H+]1CCNCC[C@@H]1C 62566379 343375634 /nfs/dbraw/zinc/37/56/34/343375634.db2.gz RZCKHOANYGWPHP-VIFPVBQESA-N 1 1 156.273 1.079 10 0 ADAEMO CC(C)N1CC[NH2+]CC[C@@H]1C 62566379 343375636 /nfs/dbraw/zinc/37/56/36/343375636.db2.gz RZCKHOANYGWPHP-VIFPVBQESA-N 1 1 156.273 1.079 10 0 ADAEMO CCC[N@H+]1C[C@H](C)NCC1(C)C 62566529 343375661 /nfs/dbraw/zinc/37/56/61/343375661.db2.gz RAMSDBNQZOQGAF-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CCCN1C[C@H](C)[NH2+]CC1(C)C 62566529 343375662 /nfs/dbraw/zinc/37/56/62/343375662.db2.gz RAMSDBNQZOQGAF-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CC1(C)C[N@H+]2CCCC[C@@H]2CN1 62566431 343375688 /nfs/dbraw/zinc/37/56/88/343375688.db2.gz KBKYRMAJRMAZAL-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC1(C)CN2CCCC[C@@H]2C[NH2+]1 62566431 343375690 /nfs/dbraw/zinc/37/56/90/343375690.db2.gz KBKYRMAJRMAZAL-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC(C)[N@H+]1CCCNC(C)(C)C1 62566624 343375696 /nfs/dbraw/zinc/37/56/96/343375696.db2.gz MBVXHMGPUAPMQS-UHFFFAOYSA-N 1 1 170.300 1.469 10 0 ADAEMO CC(C)N1CCC[NH2+]C(C)(C)C1 62566624 343375697 /nfs/dbraw/zinc/37/56/97/343375697.db2.gz MBVXHMGPUAPMQS-UHFFFAOYSA-N 1 1 170.300 1.469 10 0 ADAEMO CCCC[N@H+]1CCNCC[C@@H]1C 62566643 343375703 /nfs/dbraw/zinc/37/57/03/343375703.db2.gz ZISJXYJXBZPSJL-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CCCCN1CC[NH2+]CC[C@@H]1C 62566643 343375705 /nfs/dbraw/zinc/37/57/05/343375705.db2.gz ZISJXYJXBZPSJL-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CC(C)[N@H+]1CCNCC1(C)C 62566342 343375714 /nfs/dbraw/zinc/37/57/14/343375714.db2.gz ODTLDYHFOGVFKK-UHFFFAOYSA-N 1 1 156.273 1.079 10 0 ADAEMO CC(C)N1CC[NH2+]CC1(C)C 62566342 343375715 /nfs/dbraw/zinc/37/57/15/343375715.db2.gz ODTLDYHFOGVFKK-UHFFFAOYSA-N 1 1 156.273 1.079 10 0 ADAEMO CCC[N@H+]1CCCN[C@@H](C)C1 62566363 343375724 /nfs/dbraw/zinc/37/57/24/343375724.db2.gz RXVMHFVUSWHHIS-VIFPVBQESA-N 1 1 156.273 1.080 10 0 ADAEMO CCCN1CCC[NH2+][C@@H](C)C1 62566363 343375726 /nfs/dbraw/zinc/37/57/26/343375726.db2.gz RXVMHFVUSWHHIS-VIFPVBQESA-N 1 1 156.273 1.080 10 0 ADAEMO CCC[N@H+]1CCCNC[C@H]1C 62566351 343375752 /nfs/dbraw/zinc/37/57/52/343375752.db2.gz PYICPNTXWYRJOT-SECBINFHSA-N 1 1 156.273 1.080 10 0 ADAEMO CCCN1CCC[NH2+]C[C@H]1C 62566351 343375754 /nfs/dbraw/zinc/37/57/54/343375754.db2.gz PYICPNTXWYRJOT-SECBINFHSA-N 1 1 156.273 1.080 10 0 ADAEMO CC(C)[N@H+]1CCNCC[C@H]1C 62566376 343375761 /nfs/dbraw/zinc/37/57/61/343375761.db2.gz RZCKHOANYGWPHP-SECBINFHSA-N 1 1 156.273 1.079 10 0 ADAEMO CC(C)N1CC[NH2+]CC[C@H]1C 62566376 343375763 /nfs/dbraw/zinc/37/57/63/343375763.db2.gz RZCKHOANYGWPHP-SECBINFHSA-N 1 1 156.273 1.079 10 0 ADAEMO C[C@H]1C[N@@H+](C2CCCC2)[C@@H](C)CN1 62566918 343375767 /nfs/dbraw/zinc/37/57/67/343375767.db2.gz USUALTCYFDQXJW-UWVGGRQHSA-N 1 1 182.311 1.611 10 0 ADAEMO CCCC[N@H+]1CCCNC(C)(C)C1 62567179 343375979 /nfs/dbraw/zinc/37/59/79/343375979.db2.gz OERBLKUJFUHRMO-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCCN1CCC[NH2+]C(C)(C)C1 62567179 343375981 /nfs/dbraw/zinc/37/59/81/343375981.db2.gz OERBLKUJFUHRMO-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO CC(C)[C@H]1C[N@H+](C(C)C)CCCN1 62567189 343376078 /nfs/dbraw/zinc/37/60/78/343376078.db2.gz JQLOXALVNUOTSZ-LLVKDONJSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@H]1CN(C(C)C)CCC[NH2+]1 62567189 343376080 /nfs/dbraw/zinc/37/60/80/343376080.db2.gz JQLOXALVNUOTSZ-LLVKDONJSA-N 1 1 184.327 1.715 10 0 ADAEMO CC1(C)C[NH2+][C@H](c2ccccc2)CN1 62567520 343376087 /nfs/dbraw/zinc/37/60/87/343376087.db2.gz CDPMUIFXKRRBDC-NSHDSACASA-N 1 1 190.290 1.699 10 0 ADAEMO CCCC[N@H+]1C[C@H](C)NCC1(C)C 62567093 343376118 /nfs/dbraw/zinc/37/61/18/343376118.db2.gz MXDNTCPMXGASCN-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCCCN1C[C@H](C)[NH2+]CC1(C)C 62567093 343376120 /nfs/dbraw/zinc/37/61/20/343376120.db2.gz MXDNTCPMXGASCN-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC(C)[C@H]1C[NH2+][C@H](C(C)C)CN1C 62567123 343376182 /nfs/dbraw/zinc/37/61/82/343376182.db2.gz AGKMSUHKYMHMCW-WDEREUQCSA-N 1 1 184.327 1.571 10 0 ADAEMO CC(C)[C@H]1C[N@@H+](C)[C@@H](C(C)C)CN1 62567126 343376164 /nfs/dbraw/zinc/37/61/64/343376164.db2.gz AGKMSUHKYMHMCW-GHMZBOCLSA-N 1 1 184.327 1.571 10 0 ADAEMO CC(C)[C@H]1CN(C)[C@@H](C(C)C)C[NH2+]1 62567126 343376165 /nfs/dbraw/zinc/37/61/65/343376165.db2.gz AGKMSUHKYMHMCW-GHMZBOCLSA-N 1 1 184.327 1.571 10 0 ADAEMO C[C@H]1CCNCC[N@H+]1C1CCCC1 62566930 343376168 /nfs/dbraw/zinc/37/61/68/343376168.db2.gz SJLUIQLWVXLXTB-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)[C@H]1CN[C@H](C(C)C)C[N@H+]1C 62567123 343376179 /nfs/dbraw/zinc/37/61/79/343376179.db2.gz AGKMSUHKYMHMCW-WDEREUQCSA-N 1 1 184.327 1.571 10 0 ADAEMO CC(C)[C@@H]1CN[C@@H](C)C[N@H+]1C(C)C 62567105 343376202 /nfs/dbraw/zinc/37/62/02/343376202.db2.gz WQIWVWLNFANSLW-QWRGUYRKSA-N 1 1 184.327 1.713 10 0 ADAEMO C[C@H]1CNCCC[N@H+]1C1CCCC1 62566923 343376207 /nfs/dbraw/zinc/37/62/07/343376207.db2.gz ZBJDIQSHADRVPS-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)[N@H+]1CC(C)(C)NCC1(C)C 62567111 343376218 /nfs/dbraw/zinc/37/62/18/343376218.db2.gz OQWNGNQSVZWCAD-UHFFFAOYSA-N 1 1 184.327 1.857 10 0 ADAEMO CC(C)N1CC(C)(C)[NH2+]CC1(C)C 62567111 343376219 /nfs/dbraw/zinc/37/62/19/343376219.db2.gz OQWNGNQSVZWCAD-UHFFFAOYSA-N 1 1 184.327 1.857 10 0 ADAEMO CCC[N@H+]1C[C@H](C)NC[C@@H]1C(C)C 62567099 343376225 /nfs/dbraw/zinc/37/62/25/343376225.db2.gz GFGSYIJWZMDSET-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@H]1C[N@@H+](C)[C@H](C(C)C)CN1 62567124 343376228 /nfs/dbraw/zinc/37/62/28/343376228.db2.gz AGKMSUHKYMHMCW-MNOVXSKESA-N 1 1 184.327 1.571 10 0 ADAEMO CC(C)[C@H]1CN(C)[C@H](C(C)C)C[NH2+]1 62567124 343376230 /nfs/dbraw/zinc/37/62/30/343376230.db2.gz AGKMSUHKYMHMCW-MNOVXSKESA-N 1 1 184.327 1.571 10 0 ADAEMO CCC[N@H+]1CC(C)(C)NCC1(C)C 62567109 343376251 /nfs/dbraw/zinc/37/62/51/343376251.db2.gz JGYHVEWNLLIBBY-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCCN1CC(C)(C)[NH2+]CC1(C)C 62567109 343376253 /nfs/dbraw/zinc/37/62/53/343376253.db2.gz JGYHVEWNLLIBBY-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](C)NCC1(C)C 62567098 343376301 /nfs/dbraw/zinc/37/63/01/343376301.db2.gz VPKOSZSJXPNNGN-UWVGGRQHSA-N 1 1 184.327 1.857 10 0 ADAEMO CCC[N@H+]1CCCN[C@H](C(C)C)C1 62567184 343376307 /nfs/dbraw/zinc/37/63/07/343376307.db2.gz MKFMRBQXHKUXSN-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CCCN1CCC[NH2+][C@H](C(C)C)C1 62567184 343376308 /nfs/dbraw/zinc/37/63/08/343376308.db2.gz MKFMRBQXHKUXSN-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[N@H+]1C[C@@H](C)NC[C@@H]1C(C)C 62567101 343376334 /nfs/dbraw/zinc/37/63/34/343376334.db2.gz GFGSYIJWZMDSET-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1C[N@H+](C2CCCC2)CCCN1 62566926 343376341 /nfs/dbraw/zinc/37/63/41/343376341.db2.gz PVHNCQDBFHNKSS-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](C)[C@H](C(C)C)CN1 62567121 343376358 /nfs/dbraw/zinc/37/63/58/343376358.db2.gz AGKMSUHKYMHMCW-QWRGUYRKSA-N 1 1 184.327 1.571 10 0 ADAEMO CC(C)[C@@H]1CN(C)[C@H](C(C)C)C[NH2+]1 62567121 343376361 /nfs/dbraw/zinc/37/63/61/343376361.db2.gz AGKMSUHKYMHMCW-QWRGUYRKSA-N 1 1 184.327 1.571 10 0 ADAEMO CCC[N@H+]1CCCN[C@@H](C(C)C)C1 62567186 343376398 /nfs/dbraw/zinc/37/63/98/343376398.db2.gz MKFMRBQXHKUXSN-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CCCN1CCC[NH2+][C@@H](C(C)C)C1 62567186 343376401 /nfs/dbraw/zinc/37/64/01/343376401.db2.gz MKFMRBQXHKUXSN-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CC(C)[C@@H]1CN[C@H](C)C[N@H+]1C(C)C 62567103 343376418 /nfs/dbraw/zinc/37/64/18/343376418.db2.gz WQIWVWLNFANSLW-MNOVXSKESA-N 1 1 184.327 1.713 10 0 ADAEMO CC[C@H](C)[N@H+]1CCCNC(C)(C)C1 62567183 343376462 /nfs/dbraw/zinc/37/64/62/343376462.db2.gz VIDYWYCTCYNLLZ-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCCC[N@H+]1C[C@@H](C)NCC1(C)C 62567094 343376510 /nfs/dbraw/zinc/37/65/10/343376510.db2.gz MXDNTCPMXGASCN-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCCCN1C[C@@H](C)[NH2+]CC1(C)C 62567094 343376512 /nfs/dbraw/zinc/37/65/12/343376512.db2.gz MXDNTCPMXGASCN-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC1(C)C[NH2+][C@@H](c2ccccc2)CN1 62567522 343376559 /nfs/dbraw/zinc/37/65/59/343376559.db2.gz CDPMUIFXKRRBDC-LLVKDONJSA-N 1 1 190.290 1.699 10 0 ADAEMO Cc1c(C(C)C)nc2n1CC[NH2+]C2 62605473 343376668 /nfs/dbraw/zinc/37/66/68/343376668.db2.gz YDXBTLVZZQSIKJ-UHFFFAOYSA-N 1 1 179.267 1.418 10 0 ADAEMO C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 62820912 343382366 /nfs/dbraw/zinc/38/23/66/343382366.db2.gz YUKZQTCBZHJKSB-UHFFFAOYSA-N 1 1 187.246 1.796 10 0 ADAEMO C[NH2+]Cc1c[nH]c(C2CC2)n1 62820893 343382498 /nfs/dbraw/zinc/38/24/98/343382498.db2.gz HIGORGMCXDJNRZ-UHFFFAOYSA-N 1 1 151.213 1.007 10 0 ADAEMO C[NH2+]Cc1c[nH]c(-c2ccncc2)n1 62820918 343382568 /nfs/dbraw/zinc/38/25/68/343382568.db2.gz QBSXWWGOQKLZIK-UHFFFAOYSA-N 1 1 188.234 1.191 10 0 ADAEMO C[NH2+]Cc1c[nH]c(N2CCCCC2)n1 62820953 343382626 /nfs/dbraw/zinc/38/26/26/343382626.db2.gz RTKZRUVSPXQOTQ-UHFFFAOYSA-N 1 1 194.282 1.119 10 0 ADAEMO C[NH2+]Cc1c[nH]c(C(C)(C)C)n1 62820926 343382647 /nfs/dbraw/zinc/38/26/47/343382647.db2.gz UHFZXSMWSLBYRN-UHFFFAOYSA-N 1 1 167.256 1.427 10 0 ADAEMO [NH3+]Cc1cnc(N2CCCCCC2)[nH]1 62820834 343382722 /nfs/dbraw/zinc/38/27/22/343382722.db2.gz JXVQGYNVAVILGF-UHFFFAOYSA-N 1 1 194.282 1.249 10 0 ADAEMO C[NH2+]Cc1c[nH]c(-c2cccs2)n1 62820920 343382781 /nfs/dbraw/zinc/38/27/81/343382781.db2.gz SIFDAZNDYAXNSI-UHFFFAOYSA-N 1 1 193.275 1.858 10 0 ADAEMO Cc1cccnc1-c1ncc(C[NH3+])[nH]1 62820759 343382789 /nfs/dbraw/zinc/38/27/89/343382789.db2.gz PLPKZAAEXSOJQJ-UHFFFAOYSA-N 1 1 188.234 1.239 10 0 ADAEMO CC(C)Cc1ncc(C[NH3+])[nH]1 62820796 343382897 /nfs/dbraw/zinc/38/28/97/343382897.db2.gz DGNFZSKJPIJGAG-UHFFFAOYSA-N 1 1 153.229 1.067 10 0 ADAEMO CCc1n[nH]c(C2(C)CC[NH2+]CC2)n1 62843435 343383053 /nfs/dbraw/zinc/38/30/53/343383053.db2.gz YVFPBGASAZRBDC-UHFFFAOYSA-N 1 1 194.282 1.008 10 0 ADAEMO CCC1(c2nnc(C)[nH]2)CC[NH2+]CC1 62845997 343383572 /nfs/dbraw/zinc/38/35/72/343383572.db2.gz AQUABLZMLWXMIT-UHFFFAOYSA-N 1 1 194.282 1.144 10 0 ADAEMO CCC1(c2n[nH]c(C)n2)CC[NH2+]CC1 62845997 343383573 /nfs/dbraw/zinc/38/35/73/343383573.db2.gz AQUABLZMLWXMIT-UHFFFAOYSA-N 1 1 194.282 1.144 10 0 ADAEMO CC[C@@]1(c2nc(C)n[nH]2)CCC[NH2+]C1 62872551 343384222 /nfs/dbraw/zinc/38/42/22/343384222.db2.gz QLOZUAZURKSHKW-SNVBAGLBSA-N 1 1 194.282 1.144 10 0 ADAEMO CC[C@@]1(c2n[nH]c(C)n2)CCC[NH2+]C1 62872551 343384224 /nfs/dbraw/zinc/38/42/24/343384224.db2.gz QLOZUAZURKSHKW-SNVBAGLBSA-N 1 1 194.282 1.144 10 0 ADAEMO CC[C@]1(c2nc(C)n[nH]2)CCC[NH2+]C1 62872550 343384247 /nfs/dbraw/zinc/38/42/47/343384247.db2.gz QLOZUAZURKSHKW-JTQLQIEISA-N 1 1 194.282 1.144 10 0 ADAEMO CC[C@]1(c2n[nH]c(C)n2)CCC[NH2+]C1 62872550 343384248 /nfs/dbraw/zinc/38/42/48/343384248.db2.gz QLOZUAZURKSHKW-JTQLQIEISA-N 1 1 194.282 1.144 10 0 ADAEMO CCc1nc([C@@]2(C)CCC[NH2+]C2)n[nH]1 62872555 343384264 /nfs/dbraw/zinc/38/42/64/343384264.db2.gz LSTTWNICHQKRJJ-JTQLQIEISA-N 1 1 194.282 1.008 10 0 ADAEMO CCc1n[nH]c([C@]2(C)CCC[NH2+]C2)n1 62872554 343384280 /nfs/dbraw/zinc/38/42/80/343384280.db2.gz LSTTWNICHQKRJJ-SNVBAGLBSA-N 1 1 194.282 1.008 10 0 ADAEMO CCc1nc([C@]2(C)CCC[NH2+]C2)n[nH]1 62872554 343384284 /nfs/dbraw/zinc/38/42/84/343384284.db2.gz LSTTWNICHQKRJJ-SNVBAGLBSA-N 1 1 194.282 1.008 10 0 ADAEMO CC(C)c1n[nH]c([C@]2(C)CC[NH2+]C2)n1 62920622 343385022 /nfs/dbraw/zinc/38/50/22/343385022.db2.gz CUIURCSVJOKCKU-SNVBAGLBSA-N 1 1 194.282 1.179 10 0 ADAEMO CCc1n[nH]c([C@@]2(CC)CC[NH2+]C2)n1 62920553 343385039 /nfs/dbraw/zinc/38/50/39/343385039.db2.gz TXVQSCRDZROJHZ-JTQLQIEISA-N 1 1 194.282 1.008 10 0 ADAEMO CCc1nc([C@@]2(CC)CC[NH2+]C2)n[nH]1 62920553 343385041 /nfs/dbraw/zinc/38/50/41/343385041.db2.gz TXVQSCRDZROJHZ-JTQLQIEISA-N 1 1 194.282 1.008 10 0 ADAEMO CCC[C@]1(c2n[nH]c(C)n2)CC[NH2+]C1 62920529 343385098 /nfs/dbraw/zinc/38/50/98/343385098.db2.gz VFVRJOIAGJUQBG-JTQLQIEISA-N 1 1 194.282 1.144 10 0 ADAEMO CCC[C@@]1(c2nc(C)n[nH]2)CC[NH2+]C1 62920531 343385100 /nfs/dbraw/zinc/38/51/00/343385100.db2.gz VFVRJOIAGJUQBG-SNVBAGLBSA-N 1 1 194.282 1.144 10 0 ADAEMO CCC[C@@]1(c2n[nH]c(C)n2)CC[NH2+]C1 62920531 343385101 /nfs/dbraw/zinc/38/51/01/343385101.db2.gz VFVRJOIAGJUQBG-SNVBAGLBSA-N 1 1 194.282 1.144 10 0 ADAEMO CC(C)c1n[nH]c([C@@]2(C)CC[NH2+]C2)n1 62920624 343385182 /nfs/dbraw/zinc/38/51/82/343385182.db2.gz CUIURCSVJOKCKU-JTQLQIEISA-N 1 1 194.282 1.179 10 0 ADAEMO CCCc1n[nH]c([C@]2(C)CC[NH2+]C2)n1 62920660 343385194 /nfs/dbraw/zinc/38/51/94/343385194.db2.gz LSLGDGIQBFONCS-SNVBAGLBSA-N 1 1 194.282 1.008 10 0 ADAEMO CCCc1nc([C@]2(C)CC[NH2+]C2)n[nH]1 62920660 343385196 /nfs/dbraw/zinc/38/51/96/343385196.db2.gz LSLGDGIQBFONCS-SNVBAGLBSA-N 1 1 194.282 1.008 10 0 ADAEMO CCc1n[nH]c([C@]2(CC)CC[NH2+]C2)n1 62920551 343385265 /nfs/dbraw/zinc/38/52/65/343385265.db2.gz TXVQSCRDZROJHZ-SNVBAGLBSA-N 1 1 194.282 1.008 10 0 ADAEMO CCc1nc([C@]2(CC)CC[NH2+]C2)n[nH]1 62920551 343385267 /nfs/dbraw/zinc/38/52/67/343385267.db2.gz TXVQSCRDZROJHZ-SNVBAGLBSA-N 1 1 194.282 1.008 10 0 ADAEMO CCCc1n[nH]c([C@@]2(C)CC[NH2+]C2)n1 62920663 343385386 /nfs/dbraw/zinc/38/53/86/343385386.db2.gz LSLGDGIQBFONCS-JTQLQIEISA-N 1 1 194.282 1.008 10 0 ADAEMO CCCc1nc([C@@]2(C)CC[NH2+]C2)n[nH]1 62920663 343385388 /nfs/dbraw/zinc/38/53/88/343385388.db2.gz LSLGDGIQBFONCS-JTQLQIEISA-N 1 1 194.282 1.008 10 0 ADAEMO CC[N@H+](C(C)C)[C@H]1CC[C@H](C)NC1 62948633 343386982 /nfs/dbraw/zinc/38/69/82/343386982.db2.gz PJKVQOSBZNQNAM-QWRGUYRKSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[N@@H+](C(C)C)[C@H]1CC[C@H](C)NC1 62948633 343386985 /nfs/dbraw/zinc/38/69/85/343386985.db2.gz PJKVQOSBZNQNAM-QWRGUYRKSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@H]1CCCN1[C@H]1CC[C@@H](C)[NH2+]C1 62948744 343387006 /nfs/dbraw/zinc/38/70/06/343387006.db2.gz OSMBXWSSGHOJEN-VWYCJHECSA-N 1 1 182.311 1.611 10 0 ADAEMO CC(C)C[N@H+](C)[C@H]1CC[C@@H](C)NC1 62948646 343387024 /nfs/dbraw/zinc/38/70/24/343387024.db2.gz QUANPUFDZOMDDG-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[N@@H+](C)[C@H]1CC[C@@H](C)NC1 62948646 343387028 /nfs/dbraw/zinc/38/70/28/343387028.db2.gz QUANPUFDZOMDDG-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1CCCN1[C@@H]1CC[C@@H](C)[NH2+]C1 62948746 343387066 /nfs/dbraw/zinc/38/70/66/343387066.db2.gz OSMBXWSSGHOJEN-OUAUKWLOSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[N@H+](C(C)C)[C@@H]1CC[C@H](C)NC1 62948632 343387113 /nfs/dbraw/zinc/38/71/13/343387113.db2.gz PJKVQOSBZNQNAM-WDEREUQCSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](C)NC1 62948632 343387115 /nfs/dbraw/zinc/38/71/15/343387115.db2.gz PJKVQOSBZNQNAM-WDEREUQCSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@H](C)NC1 62948651 343387190 /nfs/dbraw/zinc/38/71/90/343387190.db2.gz OAULFCLWOAYIJL-GARJFASQSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](C)NC1 62948651 343387192 /nfs/dbraw/zinc/38/71/92/343387192.db2.gz OAULFCLWOAYIJL-GARJFASQSA-N 1 1 184.327 1.857 10 0 ADAEMO CC(C)C[N@H+](C)[C@@H]1CC[C@H](C)NC1 62948649 343387230 /nfs/dbraw/zinc/38/72/30/343387230.db2.gz QUANPUFDZOMDDG-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[N@@H+](C)[C@@H]1CC[C@H](C)NC1 62948649 343387233 /nfs/dbraw/zinc/38/72/33/343387233.db2.gz QUANPUFDZOMDDG-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[N@H+](C)[C@H]1CC[C@H](C)NC1 62948647 343387319 /nfs/dbraw/zinc/38/73/19/343387319.db2.gz QUANPUFDZOMDDG-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[N@@H+](C)[C@H]1CC[C@H](C)NC1 62948647 343387321 /nfs/dbraw/zinc/38/73/21/343387321.db2.gz QUANPUFDZOMDDG-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1CC[C@@H](N2CC[C@@H](C)C2)C[NH2+]1 62948760 343387336 /nfs/dbraw/zinc/38/73/36/343387336.db2.gz YLLAKCSMWLWGRQ-OUAUKWLOSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)C[N@H+](C)[C@@H]1CC[C@@H](C)NC1 62948648 343387365 /nfs/dbraw/zinc/38/73/65/343387365.db2.gz QUANPUFDZOMDDG-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[N@@H+](C)[C@@H]1CC[C@@H](C)NC1 62948648 343387368 /nfs/dbraw/zinc/38/73/68/343387368.db2.gz QUANPUFDZOMDDG-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO NCC[NH+]1CCC2(CCCC2)CC1 62951923 343388183 /nfs/dbraw/zinc/38/81/83/343388183.db2.gz WETIKNAPRQCLMN-UHFFFAOYSA-N 1 1 182.311 1.601 10 0 ADAEMO CC(=[NH2+])N(C)[C@@H]1CCCN(C)C1 62986851 343389126 /nfs/dbraw/zinc/38/91/26/343389126.db2.gz WPRUSNXHAXKWMS-SECBINFHSA-N 1 1 169.272 1.010 10 0 ADAEMO CC(=[NH2+])N(C)[C@H]1CCCN(C)C1 62986852 343389549 /nfs/dbraw/zinc/38/95/49/343389549.db2.gz WPRUSNXHAXKWMS-VIFPVBQESA-N 1 1 169.272 1.010 10 0 ADAEMO CC(=[NH2+])N1CCC[C@@H]1CN(C)C 62986869 343389699 /nfs/dbraw/zinc/38/96/99/343389699.db2.gz BOTHCPNORGRGDC-SECBINFHSA-N 1 1 169.272 1.010 10 0 ADAEMO CC(=[NH2+])N1CCC[C@H]1CN(C)C 62986870 343389881 /nfs/dbraw/zinc/38/98/81/343389881.db2.gz BOTHCPNORGRGDC-VIFPVBQESA-N 1 1 169.272 1.010 10 0 ADAEMO CCN1CCC[C@@H]1CNC(C)=[NH2+] 62987050 343390002 /nfs/dbraw/zinc/39/00/02/343390002.db2.gz SOVZZCINTPVNDV-SECBINFHSA-N 1 1 169.272 1.057 10 0 ADAEMO CCN1CCC[C@H](NC(C)=[NH2+])C1 62987388 343390669 /nfs/dbraw/zinc/39/06/69/343390669.db2.gz WVPAZMOYLJDHFY-VIFPVBQESA-N 1 1 169.272 1.057 10 0 ADAEMO CC(=[NH2+])NC[C@@H]1CCCCN1C 62987393 343390823 /nfs/dbraw/zinc/39/08/23/343390823.db2.gz DFKFDJBBALFTCI-VIFPVBQESA-N 1 1 169.272 1.057 10 0 ADAEMO CC(C)C(=[NH2+])N(C)[C@@H]1CCCN(C)C1 62987677 343391278 /nfs/dbraw/zinc/39/12/78/343391278.db2.gz BIEQFXHTWVYKBB-SNVBAGLBSA-N 1 1 197.326 1.646 10 0 ADAEMO CC(=[NH2+])NC[C@H](C)N1CCCCC1 62987527 343391281 /nfs/dbraw/zinc/39/12/81/343391281.db2.gz WKIDRUQRPVYORF-VIFPVBQESA-N 1 1 183.299 1.448 10 0 ADAEMO CC(=[NH2+])NC[C@@H](C)N1CCCCC1 62987528 343391309 /nfs/dbraw/zinc/39/13/09/343391309.db2.gz WKIDRUQRPVYORF-SECBINFHSA-N 1 1 183.299 1.448 10 0 ADAEMO CC(C)C(=[NH2+])N(C)[C@H]1CCCN(C)C1 62987678 343391563 /nfs/dbraw/zinc/39/15/63/343391563.db2.gz BIEQFXHTWVYKBB-JTQLQIEISA-N 1 1 197.326 1.646 10 0 ADAEMO CC(C)C(=[NH2+])N1CCCN(C)CC1 62989523 343392321 /nfs/dbraw/zinc/39/23/21/343392321.db2.gz PZPNQCZAZXMGMS-UHFFFAOYSA-N 1 1 183.299 1.257 10 0 ADAEMO CN1CCCN(C(=[NH2+])C2CC2)CC1 62989524 343392357 /nfs/dbraw/zinc/39/23/57/343392357.db2.gz DZCRAWXBOYFKPY-UHFFFAOYSA-N 1 1 181.283 1.011 10 0 ADAEMO CN1CCCN(C(=[NH2+])C(C)(C)C)CC1 62989525 343392564 /nfs/dbraw/zinc/39/25/64/343392564.db2.gz YOEXVZYFVIFUFA-UHFFFAOYSA-N 1 1 197.326 1.647 10 0 ADAEMO CCC(=[NH2+])N1CCCN(C)CC1 62989521 343392606 /nfs/dbraw/zinc/39/26/06/343392606.db2.gz WJWSPQCSYMJWJF-UHFFFAOYSA-N 1 1 169.272 1.011 10 0 ADAEMO CC(C)C(=[NH2+])N[C@H]1CCN2CCC[C@H]12 62992613 343394504 /nfs/dbraw/zinc/39/45/04/343394504.db2.gz BLXGEWNTSOANPG-VHSXEESVSA-N 1 1 195.310 1.446 10 0 ADAEMO CC(C)C(=[NH2+])N[C@@H]1CCN2CCC[C@H]12 62992612 343394511 /nfs/dbraw/zinc/39/45/11/343394511.db2.gz BLXGEWNTSOANPG-NXEZZACHSA-N 1 1 195.310 1.446 10 0 ADAEMO CCC(=[NH2+])N[C@H]1CCCN(CC)C1 62992155 343394675 /nfs/dbraw/zinc/39/46/75/343394675.db2.gz MZHULKFSEICVBQ-VIFPVBQESA-N 1 1 183.299 1.448 10 0 ADAEMO Cc1[nH]ncc1CNC(=[NH2+])C(C)(C)C 62993791 343394977 /nfs/dbraw/zinc/39/49/77/343394977.db2.gz AROKGLILMHZEMZ-UHFFFAOYSA-N 1 1 194.282 1.831 10 0 ADAEMO CCC(=[NH2+])NCc1cn[nH]c1C 62993787 343395043 /nfs/dbraw/zinc/39/50/43/343395043.db2.gz HUUAOMPWDUVDNS-UHFFFAOYSA-N 1 1 166.228 1.195 10 0 ADAEMO Cc1[nH]ncc1CNC(=[NH2+])C(C)C 62993789 343395063 /nfs/dbraw/zinc/39/50/63/343395063.db2.gz SFMGYHDHQJZVRV-UHFFFAOYSA-N 1 1 180.255 1.441 10 0 ADAEMO CN(C)[C@@H]1CCN(C(=[NH2+])C(C)(C)C)C1 62994417 343395115 /nfs/dbraw/zinc/39/51/15/343395115.db2.gz AELKJTSGLMYQOD-SECBINFHSA-N 1 1 197.326 1.646 10 0 ADAEMO CN(C)[C@H]1CCN(C(=[NH2+])C(C)(C)C)C1 62994416 343395135 /nfs/dbraw/zinc/39/51/35/343395135.db2.gz AELKJTSGLMYQOD-VIFPVBQESA-N 1 1 197.326 1.646 10 0 ADAEMO CCCNC(=[NH2+])c1ccco1 62994620 343395293 /nfs/dbraw/zinc/39/52/93/343395293.db2.gz HEYSMFFBYUTVSU-UHFFFAOYSA-N 1 1 152.197 1.605 10 0 ADAEMO CNC(=[NH2+])c1cc2ccccc2o1 62994509 343395354 /nfs/dbraw/zinc/39/53/54/343395354.db2.gz OXMVKUKOIJPJPK-UHFFFAOYSA-N 1 1 174.203 1.978 10 0 ADAEMO CCNC(=[NH2+])c1ccco1 62994546 343395493 /nfs/dbraw/zinc/39/54/93/343395493.db2.gz DNGOUYHRVJJQIW-UHFFFAOYSA-N 1 1 138.170 1.214 10 0 ADAEMO [NH2+]=C(NC1CC1)c1ccco1 62994772 343395878 /nfs/dbraw/zinc/39/58/78/343395878.db2.gz GIBXBBZLSFMDTD-UHFFFAOYSA-N 1 1 150.181 1.357 10 0 ADAEMO CC(C)NC(=[NH2+])c1ccco1 62994696 343395963 /nfs/dbraw/zinc/39/59/63/343395963.db2.gz QBPQNICXCCZRQL-UHFFFAOYSA-N 1 1 152.197 1.603 10 0 ADAEMO Cn1cc[nH+]c1C[C@H](O)C(C)(C)C 63038845 343397258 /nfs/dbraw/zinc/39/72/58/343397258.db2.gz WRZWAGVMNLLGSA-QMMMGPOBSA-N 1 1 182.267 1.370 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H](O)C(C)(C)C 63038844 343397282 /nfs/dbraw/zinc/39/72/82/343397282.db2.gz WRZWAGVMNLLGSA-MRVPVSSYSA-N 1 1 182.267 1.370 10 0 ADAEMO c1cc([C@H]2[NH2+]CCS2)co1 63046901 343397867 /nfs/dbraw/zinc/39/78/67/343397867.db2.gz NEFSZCQGIQECGL-ZETCQYMHSA-N 1 1 155.222 1.615 10 0 ADAEMO c1cc([C@@H]2[NH2+]CCS2)co1 63046900 343397903 /nfs/dbraw/zinc/39/79/03/343397903.db2.gz NEFSZCQGIQECGL-SSDOTTSWSA-N 1 1 155.222 1.615 10 0 ADAEMO CC1(C)CCC[N@H+]1CCCCO 63063715 343399156 /nfs/dbraw/zinc/39/91/56/343399156.db2.gz RFTZXMMHKVRCBP-UHFFFAOYSA-N 1 1 171.284 1.633 10 0 ADAEMO CC[C@@H](N)C[N@H+]1CCCC1(C)C 63066925 343399500 /nfs/dbraw/zinc/39/95/00/343399500.db2.gz UXQRNZAZNPZZMG-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@@H](N)[C@@H](C)[N@H+]1CCCC1(C)C 63066546 343399532 /nfs/dbraw/zinc/39/95/32/343399532.db2.gz PYBIHIQQNAANMM-NXEZZACHSA-N 1 1 184.327 1.987 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@@H](CN)C1CC1 63066165 343399541 /nfs/dbraw/zinc/39/95/41/343399541.db2.gz GCBAANIHRUYREN-JTQLQIEISA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)CCC[N@H+]1CC(N)=S 63067231 343399546 /nfs/dbraw/zinc/39/95/46/343399546.db2.gz FRBHNANHOFFINY-UHFFFAOYSA-N 1 1 172.297 1.147 10 0 ADAEMO C[NH2+]CCN1CCCC1(C)C 63066851 343399580 /nfs/dbraw/zinc/39/95/80/343399580.db2.gz WZMNKYWTWHWIEO-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO CC[C@H](CN)[N@H+]1CCCC1(C)C 63066072 343399601 /nfs/dbraw/zinc/39/96/01/343399601.db2.gz MJNDZIBJLTVWMC-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@H](CN)C1CC1 63066166 343399608 /nfs/dbraw/zinc/39/96/08/343399608.db2.gz GCBAANIHRUYREN-SNVBAGLBSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@H](N)[C@@H](C)[N@H+]1CCCC1(C)C 63066545 343399619 /nfs/dbraw/zinc/39/96/19/343399619.db2.gz PYBIHIQQNAANMM-ZJUUUORDSA-N 1 1 184.327 1.987 10 0 ADAEMO CN[C@@H](C)C[N@@H+]1CCCC1(C)C 63066795 343399625 /nfs/dbraw/zinc/39/96/25/343399625.db2.gz MPPOSAAOYQWTGA-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@@H]1CCC[C@@H]1N 63066610 343399645 /nfs/dbraw/zinc/39/96/45/343399645.db2.gz DBRCMRKNXBIRMI-VHSXEESVSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@H+]1CCCC1(C)C 63066944 343399664 /nfs/dbraw/zinc/39/96/64/343399664.db2.gz NKLKVJNILKLKHZ-DTWKUNHWSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@H](N)C[N@H+]1CCCC1(C)C 63066924 343399693 /nfs/dbraw/zinc/39/96/93/343399693.db2.gz UXQRNZAZNPZZMG-VIFPVBQESA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@@H](N)[C@@H](C)[N@H+]1CCCC1(C)C 63066945 343399708 /nfs/dbraw/zinc/39/97/08/343399708.db2.gz NKLKVJNILKLKHZ-RKDXNWHRSA-N 1 1 170.300 1.597 10 0 ADAEMO CC(C)(CN)[N@H+]1CCCC1(C)C 63066425 343399744 /nfs/dbraw/zinc/39/97/44/343399744.db2.gz NEPHAHNYIFVOOP-UHFFFAOYSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@H](CN)[N@H+]1CCCC1(C)C 63066069 343399751 /nfs/dbraw/zinc/39/97/51/343399751.db2.gz 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1.079 10 0 ADAEMO CC(C)=CC[NH+]1[C@H](C)CNC[C@H]1C 68914988 343415156 /nfs/dbraw/zinc/41/51/56/343415156.db2.gz DNPKHYAOJSUNTR-GHMZBOCLSA-N 1 1 182.311 1.635 10 0 ADAEMO C/C=C/C[NH+]1[C@H](C)CNC[C@H]1C 68915546 343415638 /nfs/dbraw/zinc/41/56/38/343415638.db2.gz IAPPVEZLXFQWEW-NUNSBDKSSA-N 1 1 168.284 1.245 10 0 ADAEMO C/C=C/C[NH+]1[C@@H](C)CNC[C@@H]1C 68915539 343415688 /nfs/dbraw/zinc/41/56/88/343415688.db2.gz IAPPVEZLXFQWEW-AWAZDUCLSA-N 1 1 168.284 1.245 10 0 ADAEMO CC[C@H]1CCc2nc(C[NH3+])[nH]c2C1 68945887 343415886 /nfs/dbraw/zinc/41/58/86/343415886.db2.gz JSIMLHKLXREWDT-ZETCQYMHSA-N 1 1 179.267 1.383 10 0 ADAEMO CC[NH2+]Cc1nc2c([nH]1)C[C@@H](C)CC2 68945954 343415924 /nfs/dbraw/zinc/41/59/24/343415924.db2.gz MXNYWGGMEBYQKX-QMMMGPOBSA-N 1 1 193.294 1.644 10 0 ADAEMO CC(C)[C@@H]1CCc2nc(C[NH3+])[nH]c2C1 68945902 343415975 /nfs/dbraw/zinc/41/59/75/343415975.db2.gz VRCXXJRQNKRPFU-MRVPVSSYSA-N 1 1 193.294 1.629 10 0 ADAEMO CCC[C@H]1CCc2nc(C[NH3+])[nH]c2C1 68945875 343416164 /nfs/dbraw/zinc/41/61/64/343416164.db2.gz IQUKPRFAXOOHIQ-QMMMGPOBSA-N 1 1 193.294 1.773 10 0 ADAEMO CC[C@@H]1CCc2nc(C[NH3+])[nH]c2C1 68945885 343416198 /nfs/dbraw/zinc/41/61/98/343416198.db2.gz JSIMLHKLXREWDT-SSDOTTSWSA-N 1 1 179.267 1.383 10 0 ADAEMO CCC[C@@H]1CCc2nc(C[NH3+])[nH]c2C1 68945873 343416206 /nfs/dbraw/zinc/41/62/06/343416206.db2.gz IQUKPRFAXOOHIQ-MRVPVSSYSA-N 1 1 193.294 1.773 10 0 ADAEMO C[NH2+]Cc1nc2c([nH]1)C[C@H](C)CC2 68945928 343416252 /nfs/dbraw/zinc/41/62/52/343416252.db2.gz QBZNGKHCDUYMHC-SSDOTTSWSA-N 1 1 179.267 1.254 10 0 ADAEMO CC[NH2+]Cc1nc2c([nH]1)C[C@H](C)CC2 68945956 343416262 /nfs/dbraw/zinc/41/62/62/343416262.db2.gz MXNYWGGMEBYQKX-MRVPVSSYSA-N 1 1 193.294 1.644 10 0 ADAEMO C[NH2+]Cc1nc2c([nH]1)C[C@@H](C)CC2 68945930 343416274 /nfs/dbraw/zinc/41/62/74/343416274.db2.gz QBZNGKHCDUYMHC-ZETCQYMHSA-N 1 1 179.267 1.254 10 0 ADAEMO CC(C)[C@H]1CCc2nc(C[NH3+])[nH]c2C1 68945904 343416282 /nfs/dbraw/zinc/41/62/82/343416282.db2.gz VRCXXJRQNKRPFU-QMMMGPOBSA-N 1 1 193.294 1.629 10 0 ADAEMO NC[C@@H]1CCCC[N@H+]1C1CCC1 68954786 343416949 /nfs/dbraw/zinc/41/69/49/343416949.db2.gz CYEXMXUSOPRWTL-JTQLQIEISA-N 1 1 168.284 1.352 10 0 ADAEMO [NH3+]C[C@@H]1CCCCN1C1CCC1 68954786 343416950 /nfs/dbraw/zinc/41/69/50/343416950.db2.gz CYEXMXUSOPRWTL-JTQLQIEISA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@H](N)[C@H]1CCCC[N@H+]1C1CCC1 68954846 343416956 /nfs/dbraw/zinc/41/69/56/343416956.db2.gz OFHCYPKTRXBMGO-GXSJLCMTSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H]([NH3+])[C@H]1CCCCN1C1CCC1 68954846 343416959 /nfs/dbraw/zinc/41/69/59/343416959.db2.gz OFHCYPKTRXBMGO-GXSJLCMTSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H](N)[C@@H]1CCCC[N@H+]1C1CCC1 68954841 343417035 /nfs/dbraw/zinc/41/70/35/343417035.db2.gz OFHCYPKTRXBMGO-ONGXEEELSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H]([NH3+])[C@@H]1CCCCN1C1CCC1 68954841 343417036 /nfs/dbraw/zinc/41/70/36/343417036.db2.gz OFHCYPKTRXBMGO-ONGXEEELSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H](N)[C@H]1CCCC[N@H+]1C1CCC1 68954850 343417077 /nfs/dbraw/zinc/41/70/77/343417077.db2.gz OFHCYPKTRXBMGO-MWLCHTKSSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H]([NH3+])[C@H]1CCCCN1C1CCC1 68954850 343417080 /nfs/dbraw/zinc/41/70/80/343417080.db2.gz OFHCYPKTRXBMGO-MWLCHTKSSA-N 1 1 182.311 1.741 10 0 ADAEMO CC[N@H+](C1CCC1)[C@@H]1CCCNC1 68954894 343417093 /nfs/dbraw/zinc/41/70/93/343417093.db2.gz OQIHSDPFTBXUSJ-LLVKDONJSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[N@@H+](C1CCC1)[C@@H]1CCCNC1 68954894 343417094 /nfs/dbraw/zinc/41/70/94/343417094.db2.gz OQIHSDPFTBXUSJ-LLVKDONJSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@@H](N)[C@@H]1CCCC[N@H+]1C1CCC1 68954843 343417216 /nfs/dbraw/zinc/41/72/16/343417216.db2.gz OFHCYPKTRXBMGO-KOLCDFICSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H]([NH3+])[C@@H]1CCCCN1C1CCC1 68954843 343417219 /nfs/dbraw/zinc/41/72/19/343417219.db2.gz OFHCYPKTRXBMGO-KOLCDFICSA-N 1 1 182.311 1.741 10 0 ADAEMO [NH3+]C[C@H]1CCCCN1C1CCC1 68954788 343417300 /nfs/dbraw/zinc/41/73/00/343417300.db2.gz CYEXMXUSOPRWTL-SNVBAGLBSA-N 1 1 168.284 1.352 10 0 ADAEMO NC[C@H]1CCCC[N@H+]1C1CCC1 68954788 343417299 /nfs/dbraw/zinc/41/72/99/343417299.db2.gz CYEXMXUSOPRWTL-SNVBAGLBSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[N@H+](C1CCC1)[C@H]1CCCNC1 68954897 343417349 /nfs/dbraw/zinc/41/73/49/343417349.db2.gz OQIHSDPFTBXUSJ-NSHDSACASA-N 1 1 182.311 1.613 10 0 ADAEMO CC[N@@H+](C1CCC1)[C@H]1CCCNC1 68954897 343417350 /nfs/dbraw/zinc/41/73/50/343417350.db2.gz OQIHSDPFTBXUSJ-NSHDSACASA-N 1 1 182.311 1.613 10 0 ADAEMO CCc1[nH+]ccn1C1CCOCC1 68958778 343417871 /nfs/dbraw/zinc/41/78/71/343417871.db2.gz HYNUPJLXGZYQPV-UHFFFAOYSA-N 1 1 180.251 1.797 10 0 ADAEMO OC[C@@H]1CCCC[N@H+]1C1CCOCC1 68958094 343417912 /nfs/dbraw/zinc/41/79/12/343417912.db2.gz YNCZUXINURLDSR-NSHDSACASA-N 1 1 199.294 1.012 10 0 ADAEMO OC[C@H]1CCCC[N@H+]1C1CCOCC1 68958097 343418085 /nfs/dbraw/zinc/41/80/85/343418085.db2.gz YNCZUXINURLDSR-LLVKDONJSA-N 1 1 199.294 1.012 10 0 ADAEMO O[C@]1(c2ccco2)CC[N@H+](C2CC2)C1 68978969 343418317 /nfs/dbraw/zinc/41/83/17/343418317.db2.gz MCXSQASHSYYDSJ-LLVKDONJSA-N 1 1 193.246 1.335 10 0 ADAEMO O[C@@]1(c2ccoc2)CC[N@H+](C2CC2)C1 68978965 343418396 /nfs/dbraw/zinc/41/83/96/343418396.db2.gz SKMFUVXBPQXJSL-NSHDSACASA-N 1 1 193.246 1.335 10 0 ADAEMO O[C@]1(c2ccoc2)CC[N@H+](C2CC2)C1 68978966 343418435 /nfs/dbraw/zinc/41/84/35/343418435.db2.gz SKMFUVXBPQXJSL-LLVKDONJSA-N 1 1 193.246 1.335 10 0 ADAEMO O[C@@]1(c2ccco2)CC[N@H+](C2CC2)C1 68978968 343418468 /nfs/dbraw/zinc/41/84/68/343418468.db2.gz MCXSQASHSYYDSJ-NSHDSACASA-N 1 1 193.246 1.335 10 0 ADAEMO C[NH2+][C@H](c1ccoc1)c1cnccn1 68979790 343418704 /nfs/dbraw/zinc/41/87/04/343418704.db2.gz QQFNRJVGIBFQEL-SNVBAGLBSA-N 1 1 189.218 1.378 10 0 ADAEMO C[NH2+][C@H](c1ccccn1)c1ccco1 68979687 343418715 /nfs/dbraw/zinc/41/87/15/343418715.db2.gz WZQQAXRZVHLBKU-LLVKDONJSA-N 1 1 188.230 1.983 10 0 ADAEMO C[NH2+][C@@H](c1ccccn1)c1ccco1 68979686 343418800 /nfs/dbraw/zinc/41/88/00/343418800.db2.gz WZQQAXRZVHLBKU-NSHDSACASA-N 1 1 188.230 1.983 10 0 ADAEMO [NH3+][C@@H](c1ccoc1)c1ccccn1 68979632 343418805 /nfs/dbraw/zinc/41/88/05/343418805.db2.gz WGXJXPQQFKAWTR-JTQLQIEISA-N 1 1 174.203 1.723 10 0 ADAEMO [NH3+][C@@H](c1ccoc1)c1cnccn1 68979666 343418815 /nfs/dbraw/zinc/41/88/15/343418815.db2.gz SDRFJNGENSMUKA-VIFPVBQESA-N 1 1 175.191 1.118 10 0 ADAEMO C[NH2+][C@@H](c1ccoc1)c1cnccn1 68979789 343418830 /nfs/dbraw/zinc/41/88/30/343418830.db2.gz QQFNRJVGIBFQEL-JTQLQIEISA-N 1 1 189.218 1.378 10 0 ADAEMO [NH3+][C@H](c1ccoc1)c1cnccn1 68979667 343418894 /nfs/dbraw/zinc/41/88/94/343418894.db2.gz SDRFJNGENSMUKA-SECBINFHSA-N 1 1 175.191 1.118 10 0 ADAEMO [NH3+][C@H](c1ccoc1)c1ccccn1 68979630 343419039 /nfs/dbraw/zinc/41/90/39/343419039.db2.gz WGXJXPQQFKAWTR-SNVBAGLBSA-N 1 1 174.203 1.723 10 0 ADAEMO COCc1c(C)[nH+]c2ccc(N)cn12 68985093 343419613 /nfs/dbraw/zinc/41/96/13/343419613.db2.gz WOUFQNNNYRPEPN-UHFFFAOYSA-N 1 1 191.234 1.371 10 0 ADAEMO Nc1ccc2[nH+]c(C3CC3)cn2c1 68985104 343419685 /nfs/dbraw/zinc/41/96/85/343419685.db2.gz USWVPWKMZUKXSE-UHFFFAOYSA-N 1 1 173.219 1.794 10 0 ADAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCC[C@@H]1N 68997049 343419961 /nfs/dbraw/zinc/41/99/61/343419961.db2.gz AYSIIXLCIIYDRG-UWVGGRQHSA-N 1 1 184.327 1.987 10 0 ADAEMO CSCCNc1ccc(N)[nH+]c1 68995912 343420221 /nfs/dbraw/zinc/42/02/21/343420221.db2.gz GTIONGKBNWCPPW-UHFFFAOYSA-N 1 1 183.280 1.439 10 0 ADAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@@H]1N 68997045 343420237 /nfs/dbraw/zinc/42/02/37/343420237.db2.gz AYSIIXLCIIYDRG-VHSXEESVSA-N 1 1 184.327 1.987 10 0 ADAEMO CSCCNc1ccc(N)c[nH+]1 68995799 343420259 /nfs/dbraw/zinc/42/02/59/343420259.db2.gz BFKZLRGJNHHKDJ-UHFFFAOYSA-N 1 1 183.280 1.439 10 0 ADAEMO CCC(C)(C)[N@H+](C)[C@H]1CCCNC1 68998256 343420675 /nfs/dbraw/zinc/42/06/75/343420675.db2.gz YDRYQZOBBVQSTI-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCCNC1 68998256 343420678 /nfs/dbraw/zinc/42/06/78/343420678.db2.gz YDRYQZOBBVQSTI-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@@H+](C)CCCCO 69000395 343420695 /nfs/dbraw/zinc/42/06/95/343420695.db2.gz GWQGKJCIOYWUQE-UHFFFAOYSA-N 1 1 173.300 1.879 10 0 ADAEMO CCC(C)(C)[N@H+](C)[C@@H]1CCCNC1 68998253 343420798 /nfs/dbraw/zinc/42/07/98/343420798.db2.gz YDRYQZOBBVQSTI-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCCNC1 68998253 343420802 /nfs/dbraw/zinc/42/08/02/343420802.db2.gz YDRYQZOBBVQSTI-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@H+](C)C1CCNCC1 68998322 343420851 /nfs/dbraw/zinc/42/08/51/343420851.db2.gz UJDZCMAOGFVFQE-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@@H+](C)C1CCNCC1 68998322 343420854 /nfs/dbraw/zinc/42/08/54/343420854.db2.gz UJDZCMAOGFVFQE-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CSCCC[NH2+]CC(F)F 69001456 343420926 /nfs/dbraw/zinc/42/09/26/343420926.db2.gz XIKMETHDSLLHAC-UHFFFAOYSA-N 1 1 169.240 1.594 10 0 ADAEMO C[NH2+][C@@H](c1ccco1)c1ccnn1C 69021563 343421984 /nfs/dbraw/zinc/42/19/84/343421984.db2.gz UZBGENLKGHAQJD-SNVBAGLBSA-N 1 1 191.234 1.322 10 0 ADAEMO C[NH2+][C@H](c1ccco1)c1ccnn1C 69021558 343422089 /nfs/dbraw/zinc/42/20/89/343422089.db2.gz UZBGENLKGHAQJD-JTQLQIEISA-N 1 1 191.234 1.322 10 0 ADAEMO Cn1cc[nH+]c1[C@H]1CCCCC[C@H]1O 69030015 343422876 /nfs/dbraw/zinc/42/28/76/343422876.db2.gz OYYNEPCIHYZPBI-VHSXEESVSA-N 1 1 194.278 1.829 10 0 ADAEMO Cn1cc[nH+]c1[C@@H]1CCCCC[C@H]1O 69030010 343422891 /nfs/dbraw/zinc/42/28/91/343422891.db2.gz OYYNEPCIHYZPBI-NXEZZACHSA-N 1 1 194.278 1.829 10 0 ADAEMO Cn1cc[nH+]c1[C@@H]1CCCCC[C@@H]1O 69030002 343423034 /nfs/dbraw/zinc/42/30/34/343423034.db2.gz OYYNEPCIHYZPBI-ZJUUUORDSA-N 1 1 194.278 1.829 10 0 ADAEMO [NH3+][C@H](c1ccsc1)c1cnccn1 69049171 343424051 /nfs/dbraw/zinc/42/40/51/343424051.db2.gz CBEMVZTXGVVWKB-SECBINFHSA-N 1 1 191.259 1.586 10 0 ADAEMO CCC(C)(C)[N@@H+](C)CCN 69428622 343425260 /nfs/dbraw/zinc/42/52/60/343425260.db2.gz NZGJYWMKNHSHNO-UHFFFAOYSA-N 1 1 144.262 1.066 10 0 ADAEMO CCC(C)(C)N(C)CC[NH3+] 69428622 343425262 /nfs/dbraw/zinc/42/52/62/343425262.db2.gz NZGJYWMKNHSHNO-UHFFFAOYSA-N 1 1 144.262 1.066 10 0 ADAEMO Cc1ccc(O[C@H]2CCOC2)c(N)[nH+]1 69606755 343426338 /nfs/dbraw/zinc/42/63/38/343426338.db2.gz NSEUSKXLIRXYRC-QMMMGPOBSA-N 1 1 194.234 1.140 10 0 ADAEMO Cc1ccc(O[C@@H]2CCOC2)c(N)[nH+]1 69606754 343426600 /nfs/dbraw/zinc/42/66/00/343426600.db2.gz NSEUSKXLIRXYRC-MRVPVSSYSA-N 1 1 194.234 1.140 10 0 ADAEMO OCC[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1 69624713 343426955 /nfs/dbraw/zinc/42/69/55/343426955.db2.gz XRJGWPPVKSPDQV-WDEREUQCSA-N 1 1 199.294 1.012 10 0 ADAEMO OCC[C@H]1CCCC[N@H+]1[C@@H]1CCOC1 69624717 343426997 /nfs/dbraw/zinc/42/69/97/343426997.db2.gz XRJGWPPVKSPDQV-GHMZBOCLSA-N 1 1 199.294 1.012 10 0 ADAEMO CC[C@H](C)N1C[C@@H](C)[NH2+][C@H](C)C1 69627769 343427384 /nfs/dbraw/zinc/42/73/84/343427384.db2.gz XAKVYQGPYXIBBA-BBBLOLIVSA-N 1 1 170.300 1.467 10 0 ADAEMO CCC[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627639 343427502 /nfs/dbraw/zinc/42/75/02/343427502.db2.gz OXOJJLORYSGUQP-AXFHLTTASA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@H]1C[N@H+]([C@@H](C)C2CC2)C[C@@H](C)N1 69627435 343427526 /nfs/dbraw/zinc/42/75/26/343427526.db2.gz MMZSSRLQXBFSNG-AEJSXWLSSA-N 1 1 182.311 1.467 10 0 ADAEMO CC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1 69626790 343427584 /nfs/dbraw/zinc/42/75/84/343427584.db2.gz RAYHRQQFBANXDZ-MNOVXSKESA-N 1 1 197.278 1.219 10 0 ADAEMO CC[C@@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627758 343427707 /nfs/dbraw/zinc/42/77/07/343427707.db2.gz XAKVYQGPYXIBBA-KXUCPTDWSA-N 1 1 170.300 1.467 10 0 ADAEMO CC[C@@H](C)N1C[C@H](C)[NH2+][C@H](C)C1 69627758 343427709 /nfs/dbraw/zinc/42/77/09/343427709.db2.gz XAKVYQGPYXIBBA-KXUCPTDWSA-N 1 1 170.300 1.467 10 0 ADAEMO CC(=O)[C@H]1CCCC[N@H+]1[C@@H]1CCOC1 69626792 343427721 /nfs/dbraw/zinc/42/77/21/343427721.db2.gz RAYHRQQFBANXDZ-GHMZBOCLSA-N 1 1 197.278 1.219 10 0 ADAEMO C/C=C/C[NH+]1C[C@@H](C)N[C@H](C)C1 69629689 343427884 /nfs/dbraw/zinc/42/78/84/343427884.db2.gz YWQAWRJRKJVKOB-NUNSBDKSSA-N 1 1 168.284 1.245 10 0 ADAEMO C/C=C/C[NH+]1C[C@H](C)N[C@@H](C)C1 69629690 343427905 /nfs/dbraw/zinc/42/79/05/343427905.db2.gz YWQAWRJRKJVKOB-AWAZDUCLSA-N 1 1 168.284 1.245 10 0 ADAEMO C[C@H]1CN(CC(C)(C)C)C[C@H](C)[NH2+]1 69628228 343427920 /nfs/dbraw/zinc/42/79/20/343427920.db2.gz KZVQFWAIVYAARX-UWVGGRQHSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1C[N@H+](C2CCCC2)C[C@@H](C)N1 69628159 343427929 /nfs/dbraw/zinc/42/79/29/343427929.db2.gz VCQPRSQGELYDQH-AOOOYVTPSA-N 1 1 182.311 1.611 10 0 ADAEMO CC(C)=CC[N@H+]1C[C@H](C)N[C@H](C)C1 69629353 343427943 /nfs/dbraw/zinc/42/79/43/343427943.db2.gz IDUIQDCWPZYSIU-PHIMTYICSA-N 1 1 182.311 1.635 10 0 ADAEMO CC(C)=CC[N@@H+]1C[C@H](C)N[C@H](C)C1 69629353 343427946 /nfs/dbraw/zinc/42/79/46/343427946.db2.gz IDUIQDCWPZYSIU-PHIMTYICSA-N 1 1 182.311 1.635 10 0 ADAEMO C[C@@H]1CN(CC(C)(C)C)C[C@@H](C)[NH2+]1 69628229 343427991 /nfs/dbraw/zinc/42/79/91/343427991.db2.gz KZVQFWAIVYAARX-NXEZZACHSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69628135 343428022 /nfs/dbraw/zinc/42/80/22/343428022.db2.gz BUDRKNQMDFTBDL-AXFHLTTASA-N 1 1 184.327 1.713 10 0 ADAEMO C/C=C/C[N@@H+]1C[C@H](C)N[C@H](C)C1 69629686 343428038 /nfs/dbraw/zinc/42/80/38/343428038.db2.gz YWQAWRJRKJVKOB-XYBNDFSHSA-N 1 1 168.284 1.245 10 0 ADAEMO C/C=C/C[N@H+]1C[C@H](C)N[C@H](C)C1 69629686 343428041 /nfs/dbraw/zinc/42/80/41/343428041.db2.gz YWQAWRJRKJVKOB-XYBNDFSHSA-N 1 1 168.284 1.245 10 0 ADAEMO CC(C)=CC[NH+]1C[C@H](C)N[C@@H](C)C1 69629355 343428065 /nfs/dbraw/zinc/42/80/65/343428065.db2.gz IDUIQDCWPZYSIU-QWRGUYRKSA-N 1 1 182.311 1.635 10 0 ADAEMO CC(C)=CC[NH+]1C[C@@H](C)N[C@H](C)C1 69629358 343428124 /nfs/dbraw/zinc/42/81/24/343428124.db2.gz IDUIQDCWPZYSIU-GHMZBOCLSA-N 1 1 182.311 1.635 10 0 ADAEMO C[C@H]1C[N@@H+](CC(C)(C)C)C[C@@H](C)N1 69628225 343428165 /nfs/dbraw/zinc/42/81/65/343428165.db2.gz KZVQFWAIVYAARX-AOOOYVTPSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1CN(CC(C)(C)C)C[C@@H](C)[NH2+]1 69628225 343428166 /nfs/dbraw/zinc/42/81/66/343428166.db2.gz KZVQFWAIVYAARX-AOOOYVTPSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1CN(C2CCC2)C[C@H](C)[NH2+]1 69630567 343428586 /nfs/dbraw/zinc/42/85/86/343428586.db2.gz NBZDCVCJTZSSIT-IUCAKERBSA-N 1 1 168.284 1.221 10 0 ADAEMO C[C@H]1C[N@H+](C2CCC2)C[C@@H](C)N1 69630562 343428618 /nfs/dbraw/zinc/42/86/18/343428618.db2.gz NBZDCVCJTZSSIT-DTORHVGOSA-N 1 1 168.284 1.221 10 0 ADAEMO C[C@H]1CN(C2CCC2)C[C@@H](C)[NH2+]1 69630562 343428619 /nfs/dbraw/zinc/42/86/19/343428619.db2.gz NBZDCVCJTZSSIT-DTORHVGOSA-N 1 1 168.284 1.221 10 0 ADAEMO C[C@@H]1CN(C2CCC2)C[C@@H](C)[NH2+]1 69630569 343428769 /nfs/dbraw/zinc/42/87/69/343428769.db2.gz NBZDCVCJTZSSIT-RKDXNWHRSA-N 1 1 168.284 1.221 10 0 ADAEMO [NH3+][C@H](c1ccncn1)c1cccs1 69639411 343430840 /nfs/dbraw/zinc/43/08/40/343430840.db2.gz QNKAKMIDCLYQGA-SECBINFHSA-N 1 1 191.259 1.586 10 0 ADAEMO C[NH2+][C@@H](c1ccncn1)c1ccco1 69639484 343430862 /nfs/dbraw/zinc/43/08/62/343430862.db2.gz BLLFZSRHIKCPPY-JTQLQIEISA-N 1 1 189.218 1.378 10 0 ADAEMO [NH3+][C@@H](c1ccoc1)c1ccncn1 69639410 343430907 /nfs/dbraw/zinc/43/09/07/343430907.db2.gz GIBSCTJIBBQOGN-VIFPVBQESA-N 1 1 175.191 1.118 10 0 ADAEMO [NH3+][C@H](c1ccoc1)c1ccncn1 69639407 343430929 /nfs/dbraw/zinc/43/09/29/343430929.db2.gz GIBSCTJIBBQOGN-SECBINFHSA-N 1 1 175.191 1.118 10 0 ADAEMO C[NH2+][C@H](c1ccncn1)c1ccco1 69639486 343430961 /nfs/dbraw/zinc/43/09/61/343430961.db2.gz BLLFZSRHIKCPPY-SNVBAGLBSA-N 1 1 189.218 1.378 10 0 ADAEMO [NH3+][C@@H](c1ccncn1)c1cccs1 69639413 343431022 /nfs/dbraw/zinc/43/10/22/343431022.db2.gz QNKAKMIDCLYQGA-VIFPVBQESA-N 1 1 191.259 1.586 10 0 ADAEMO C[C@@H](CC1CC1)[N@@H+]1CCC(=O)C1 69666409 343431762 /nfs/dbraw/zinc/43/17/62/343431762.db2.gz SUFYZSMSRJKUBL-QMMMGPOBSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@@H](CC1CC1)[N@H+]1CCC(=O)C1 69666409 343431763 /nfs/dbraw/zinc/43/17/63/343431763.db2.gz SUFYZSMSRJKUBL-QMMMGPOBSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H](CC1CC1)[N@@H+]1CCC(=O)C1 69666413 343431850 /nfs/dbraw/zinc/43/18/50/343431850.db2.gz SUFYZSMSRJKUBL-MRVPVSSYSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H](CC1CC1)[N@H+]1CCC(=O)C1 69666413 343431852 /nfs/dbraw/zinc/43/18/52/343431852.db2.gz SUFYZSMSRJKUBL-MRVPVSSYSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H]1CC[N@@H+]([C@@H](C)CC2CC2)CCN1 69669802 343431883 /nfs/dbraw/zinc/43/18/83/343431883.db2.gz VCFMTPBYADHPAJ-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CCN([C@@H](C)CC2CC2)CC[NH2+]1 69669802 343431884 /nfs/dbraw/zinc/43/18/84/343431884.db2.gz VCFMTPBYADHPAJ-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H](CC1CC1)[N@H+]1CCN[C@H](C)CC1 69669798 343431995 /nfs/dbraw/zinc/43/19/95/343431995.db2.gz VCFMTPBYADHPAJ-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H](CC1CC1)N1CC[NH2+][C@H](C)CC1 69669798 343431996 /nfs/dbraw/zinc/43/19/96/343431996.db2.gz VCFMTPBYADHPAJ-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@@H](C)CN1CC[NH2+]CC1 69686920 343434583 /nfs/dbraw/zinc/43/45/83/343434583.db2.gz DNYZJUPSBSJJIO-JTQLQIEISA-N 1 1 170.300 1.184 10 0 ADAEMO CC(C)[C@@H](C)c1nnc(C[NH3+])o1 69691190 343435183 /nfs/dbraw/zinc/43/51/83/343435183.db2.gz QRENHBDBJRDZGX-ZCFIWIBFSA-N 1 1 169.228 1.288 10 0 ADAEMO CC(C)[C@H](C)c1nnc(C[NH3+])o1 69691194 343435519 /nfs/dbraw/zinc/43/55/19/343435519.db2.gz QRENHBDBJRDZGX-LURJTMIESA-N 1 1 169.228 1.288 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1N 69718564 343435531 /nfs/dbraw/zinc/43/55/31/343435531.db2.gz UQYYBOZKBVSDFV-JQWIXIFHSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1CCN(CC2CCCC2)C[C@@H]1[NH3+] 69718564 343435533 /nfs/dbraw/zinc/43/55/33/343435533.db2.gz UQYYBOZKBVSDFV-JQWIXIFHSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)[C@@H](C)c1nnc2n1CC[NH2+]C2 69691364 343435539 /nfs/dbraw/zinc/43/55/39/343435539.db2.gz IBEGGTKVHRTICX-MRVPVSSYSA-N 1 1 194.282 1.141 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@H](C)[C@H](N)C1 69718204 343435573 /nfs/dbraw/zinc/43/55/73/343435573.db2.gz NMERVZMPAONJQW-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)CC[N@H+]1CC[C@H](C)[C@@H](N)C1 69718318 343435545 /nfs/dbraw/zinc/43/55/45/343435545.db2.gz XJFGGKPUJJNDHI-QWRGUYRKSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)CCN1CC[C@H](C)[C@@H]([NH3+])C1 69718318 343435547 /nfs/dbraw/zinc/43/55/47/343435547.db2.gz XJFGGKPUJJNDHI-QWRGUYRKSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)N1CC[C@@H](C)[C@@H]([NH3+])C1 69718148 343435555 /nfs/dbraw/zinc/43/55/55/343435555.db2.gz IUBIBXDJUIMNKO-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 69718148 343435556 /nfs/dbraw/zinc/43/55/56/343435556.db2.gz IUBIBXDJUIMNKO-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 69718148 343435557 /nfs/dbraw/zinc/43/55/57/343435557.db2.gz IUBIBXDJUIMNKO-BDAKNGLRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](N)C1 69718387 343435563 /nfs/dbraw/zinc/43/55/63/343435563.db2.gz JVAILHACGLTNCS-LPEHRKFASA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)N1CC[C@H](C)[C@H]([NH3+])C1 69718387 343435565 /nfs/dbraw/zinc/43/55/65/343435565.db2.gz JVAILHACGLTNCS-LPEHRKFASA-N 1 1 170.300 1.454 10 0 ADAEMO CCCCN1CC[C@H](C)[C@H]([NH3+])C1 69718430 343435588 /nfs/dbraw/zinc/43/55/88/343435588.db2.gz HSXBNDQILUNSAQ-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC[N@@H+]1CC[C@H](C)[C@H](N)C1 69718430 343435590 /nfs/dbraw/zinc/43/55/90/343435590.db2.gz HSXBNDQILUNSAQ-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC[N@H+]1CC[C@H](C)[C@H](N)C1 69718430 343435591 /nfs/dbraw/zinc/43/55/91/343435591.db2.gz HSXBNDQILUNSAQ-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@@H](C)[C@H](N)C1 69718206 343435600 /nfs/dbraw/zinc/43/56/00/343435600.db2.gz NMERVZMPAONJQW-MWLCHTKSSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC(CC)N1CC[C@@H](C)[C@H]([NH3+])C1 69718206 343435601 /nfs/dbraw/zinc/43/56/01/343435601.db2.gz NMERVZMPAONJQW-MWLCHTKSSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[C@H](C)c1nnc([C@H](C)[NH3+])o1 69691212 343435611 /nfs/dbraw/zinc/43/56/11/343435611.db2.gz TTZOMCMZPIPKNR-BQBZGAKWSA-N 1 1 183.255 1.849 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1N 69718562 343435617 /nfs/dbraw/zinc/43/56/17/343435617.db2.gz UQYYBOZKBVSDFV-PWSUYJOCSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@@H]1CCN(CC2CCCC2)C[C@@H]1[NH3+] 69718562 343435618 /nfs/dbraw/zinc/43/56/18/343435618.db2.gz UQYYBOZKBVSDFV-PWSUYJOCSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CC[C@@H](C)[C@@H](N)C1 69718078 343435625 /nfs/dbraw/zinc/43/56/25/343435625.db2.gz HGHMSVTXVHVYBS-YWVKMMECSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H](C1CC1)N1CC[C@@H](C)[C@@H]([NH3+])C1 69718078 343435627 /nfs/dbraw/zinc/43/56/27/343435627.db2.gz HGHMSVTXVHVYBS-YWVKMMECSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H]1CC[N@H+](CC(C)(C)C)C[C@@H]1N 69718188 343435633 /nfs/dbraw/zinc/43/56/33/343435633.db2.gz ZCCUBTDZBNEJCD-UWVGGRQHSA-N 1 1 184.327 1.702 10 0 ADAEMO C[C@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1N 69718188 343435635 /nfs/dbraw/zinc/43/56/35/343435635.db2.gz ZCCUBTDZBNEJCD-UWVGGRQHSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 69718503 343435646 /nfs/dbraw/zinc/43/56/46/343435646.db2.gz LNZLNLVTZOUWQQ-VWYCJHECSA-N 1 1 184.327 1.700 10 0 ADAEMO CC(C)[C@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 69718503 343435648 /nfs/dbraw/zinc/43/56/48/343435648.db2.gz LNZLNLVTZOUWQQ-VWYCJHECSA-N 1 1 184.327 1.700 10 0 ADAEMO CC(C)[C@H](C)c1nnc2n1CC[NH2+]C2 69691365 343435679 /nfs/dbraw/zinc/43/56/79/343435679.db2.gz IBEGGTKVHRTICX-QMMMGPOBSA-N 1 1 194.282 1.141 10 0 ADAEMO CC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](N)C1 69718390 343435685 /nfs/dbraw/zinc/43/56/85/343435685.db2.gz DBNCKOCXXGEULD-GARJFASQSA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@H](C)CN1CC[C@H](C)[C@H]([NH3+])C1 69718390 343435687 /nfs/dbraw/zinc/43/56/87/343435687.db2.gz DBNCKOCXXGEULD-GARJFASQSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](N)C1 69718315 343435711 /nfs/dbraw/zinc/43/57/11/343435711.db2.gz XJFGGKPUJJNDHI-MNOVXSKESA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)CCN1CC[C@@H](C)[C@@H]([NH3+])C1 69718315 343435714 /nfs/dbraw/zinc/43/57/14/343435714.db2.gz XJFGGKPUJJNDHI-MNOVXSKESA-N 1 1 184.327 1.702 10 0 ADAEMO CCCCN1CC[C@@H](C)[C@H]([NH3+])C1 69718431 343435740 /nfs/dbraw/zinc/43/57/40/343435740.db2.gz HSXBNDQILUNSAQ-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC[N@@H+]1CC[C@@H](C)[C@H](N)C1 69718431 343435742 /nfs/dbraw/zinc/43/57/42/343435742.db2.gz HSXBNDQILUNSAQ-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC[N@H+]1CC[C@@H](C)[C@H](N)C1 69718431 343435745 /nfs/dbraw/zinc/43/57/45/343435745.db2.gz HSXBNDQILUNSAQ-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC(C)[C@H](C)c1nnc([C@@H](C)[NH3+])o1 69691208 343435769 /nfs/dbraw/zinc/43/57/69/343435769.db2.gz TTZOMCMZPIPKNR-NKWVEPMBSA-N 1 1 183.255 1.849 10 0 ADAEMO CC(C)[C@@H](C)c1nnc([C@@H](C)[NH3+])o1 69691206 343435793 /nfs/dbraw/zinc/43/57/93/343435793.db2.gz TTZOMCMZPIPKNR-RNFRBKRXSA-N 1 1 183.255 1.849 10 0 ADAEMO CCCN1CC[C@@H](C)[C@H]([NH3+])C1 69718212 343435818 /nfs/dbraw/zinc/43/58/18/343435818.db2.gz SRONFJIUDMTGPX-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO CC(C)[C@@H](C)c1nnc([C@H](C)[NH3+])o1 69691210 343435842 /nfs/dbraw/zinc/43/58/42/343435842.db2.gz TTZOMCMZPIPKNR-RQJHMYQMSA-N 1 1 183.255 1.849 10 0 ADAEMO CC(C)[C@H](C)N1CC[C@H](C)[C@@H]([NH3+])C1 69718504 343435979 /nfs/dbraw/zinc/43/59/79/343435979.db2.gz LNZLNLVTZOUWQQ-DCAQKATOSA-N 1 1 184.327 1.700 10 0 ADAEMO C[C@@H]1CC[N@H+](C2CCCC2)C[C@@H]1N 69718485 343435926 /nfs/dbraw/zinc/43/59/26/343435926.db2.gz AJCPDNNDSBRXEC-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCN(C2CCCC2)C[C@@H]1[NH3+] 69718485 343435929 /nfs/dbraw/zinc/43/59/29/343435929.db2.gz AJCPDNNDSBRXEC-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CC[N@H+](CC(C)(C)C)C[C@@H]1N 69718186 343435953 /nfs/dbraw/zinc/43/59/53/343435953.db2.gz ZCCUBTDZBNEJCD-ZJUUUORDSA-N 1 1 184.327 1.702 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1N 69718186 343435956 /nfs/dbraw/zinc/43/59/56/343435956.db2.gz ZCCUBTDZBNEJCD-ZJUUUORDSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](N)C1 69718504 343435977 /nfs/dbraw/zinc/43/59/77/343435977.db2.gz LNZLNLVTZOUWQQ-DCAQKATOSA-N 1 1 184.327 1.700 10 0 ADAEMO C[C@H]1CC[N@H+](C2CCCC2)C[C@@H]1N 69718490 343435995 /nfs/dbraw/zinc/43/59/95/343435995.db2.gz AJCPDNNDSBRXEC-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCN(C2CCCC2)C[C@@H]1[NH3+] 69718490 343435997 /nfs/dbraw/zinc/43/59/97/343435997.db2.gz AJCPDNNDSBRXEC-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)N1CC[C@H](C)[C@@H]([NH3+])C1 69718150 343436017 /nfs/dbraw/zinc/43/60/17/343436017.db2.gz IUBIBXDJUIMNKO-IUCAKERBSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[N@@H+]1CC[C@H](C)[C@@H](N)C1 69718150 343436020 /nfs/dbraw/zinc/43/60/20/343436020.db2.gz IUBIBXDJUIMNKO-IUCAKERBSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](C)[C@@H](N)C1 69718150 343436024 /nfs/dbraw/zinc/43/60/24/343436024.db2.gz IUBIBXDJUIMNKO-IUCAKERBSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H]1CCC[C@H](CN)[N@H+]1C1CCC1 69721383 343436889 /nfs/dbraw/zinc/43/68/89/343436889.db2.gz NNYYYWRGSNZAOC-MWLCHTKSSA-N 1 1 182.311 1.741 10 0 ADAEMO CC(C)[N@H+]1[C@@H](C)CCC[C@@H]1CN 69721403 343436945 /nfs/dbraw/zinc/43/69/45/343436945.db2.gz IFOSWSMXJHXHCG-VHSXEESVSA-N 1 1 170.300 1.597 10 0 ADAEMO CC(C)[N@H+]1[C@H](C)CCC[C@@H]1CN 69721401 343436958 /nfs/dbraw/zinc/43/69/58/343436958.db2.gz IFOSWSMXJHXHCG-NXEZZACHSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@@H]1CCC[C@@H](CN)[N@H+]1C1CCC1 69721388 343436981 /nfs/dbraw/zinc/43/69/81/343436981.db2.gz NNYYYWRGSNZAOC-KOLCDFICSA-N 1 1 182.311 1.741 10 0 ADAEMO CC(C)[N@H+]1[C@@H](C)CCC[C@H]1CN 69721407 343437152 /nfs/dbraw/zinc/43/71/52/343437152.db2.gz IFOSWSMXJHXHCG-UWVGGRQHSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]1CCC[C@@H](CN)[N@H+]1C1CCC1 69721390 343437214 /nfs/dbraw/zinc/43/72/14/343437214.db2.gz NNYYYWRGSNZAOC-ONGXEEELSA-N 1 1 182.311 1.741 10 0 ADAEMO CC(C)[N@@H+]1[C@H](CN)CCC[C@H]1C 69721406 343437265 /nfs/dbraw/zinc/43/72/65/343437265.db2.gz IFOSWSMXJHXHCG-ZJUUUORDSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]1CCC[C@H](CN)[N@H+]1C1CCC1 69721386 343437299 /nfs/dbraw/zinc/43/72/99/343437299.db2.gz NNYYYWRGSNZAOC-GXSJLCMTSA-N 1 1 182.311 1.741 10 0 ADAEMO CC[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1CN 69725889 343437515 /nfs/dbraw/zinc/43/75/15/343437515.db2.gz DITQRSKXCACOFE-DCAQKATOSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1CCC[N@@H+](C2CCC2)[C@@H]1CN 69726028 343437539 /nfs/dbraw/zinc/43/75/39/343437539.db2.gz VBJVPOCTFMKBDU-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCCN(C2CCC2)[C@@H]1C[NH3+] 69726028 343437540 /nfs/dbraw/zinc/43/75/40/343437540.db2.gz VBJVPOCTFMKBDU-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H](C)[C@H]1CN 69726040 343437616 /nfs/dbraw/zinc/43/76/16/343437616.db2.gz BJLJBCBPJFAKQX-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H]1CCC[N@@H+](C2CCC2)[C@@H]1CN 69726031 343437707 /nfs/dbraw/zinc/43/77/07/343437707.db2.gz VBJVPOCTFMKBDU-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCCN(C2CCC2)[C@@H]1C[NH3+] 69726031 343437709 /nfs/dbraw/zinc/43/77/09/343437709.db2.gz VBJVPOCTFMKBDU-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H](C)[C@H]1CN 69726042 343437751 /nfs/dbraw/zinc/43/77/51/343437751.db2.gz BJLJBCBPJFAKQX-VHSXEESVSA-N 1 1 170.300 1.454 10 0 ADAEMO C/C=C/C[N@@H+]1[C@H](C)CCC[C@@H]1CN 69723263 343437941 /nfs/dbraw/zinc/43/79/41/343437941.db2.gz VJXPRPJYDZEARY-YIZUVKHSSA-N 1 1 182.311 1.764 10 0 ADAEMO C/C=C/C[N@H+]1[C@H](C)CCC[C@@H]1CN 69723263 343437944 /nfs/dbraw/zinc/43/79/44/343437944.db2.gz VJXPRPJYDZEARY-YIZUVKHSSA-N 1 1 182.311 1.764 10 0 ADAEMO CCC(=O)C[N@@H+]1CCSC[C@H]1C 69761243 343439802 /nfs/dbraw/zinc/43/98/02/343439802.db2.gz BRFWNCUFOYWJTK-MRVPVSSYSA-N 1 1 187.308 1.403 10 0 ADAEMO CCC(=O)C[N@H+]1CCSC[C@H]1C 69761243 343439803 /nfs/dbraw/zinc/43/98/03/343439803.db2.gz BRFWNCUFOYWJTK-MRVPVSSYSA-N 1 1 187.308 1.403 10 0 ADAEMO CCC(=O)C[N@@H+]1CCSC[C@@H]1C 69761242 343439818 /nfs/dbraw/zinc/43/98/18/343439818.db2.gz BRFWNCUFOYWJTK-QMMMGPOBSA-N 1 1 187.308 1.403 10 0 ADAEMO CCC(=O)C[N@H+]1CCSC[C@@H]1C 69761242 343439820 /nfs/dbraw/zinc/43/98/20/343439820.db2.gz BRFWNCUFOYWJTK-QMMMGPOBSA-N 1 1 187.308 1.403 10 0 ADAEMO C[C@H]1CSCC[N@H+]1CC(C)(C)O 69761321 343439863 /nfs/dbraw/zinc/43/98/63/343439863.db2.gz ZUPPEXVHPXBDBH-QMMMGPOBSA-N 1 1 189.324 1.195 10 0 ADAEMO CC(=O)CC[N@@H+]1CCSC[C@H]1C 69761234 343439867 /nfs/dbraw/zinc/43/98/67/343439867.db2.gz CNBZTGTVOFOFMV-MRVPVSSYSA-N 1 1 187.308 1.403 10 0 ADAEMO C[C@@H]1CSCC[N@H+]1[C@@H]1CCCC1=O 69761220 343439871 /nfs/dbraw/zinc/43/98/71/343439871.db2.gz KSEGGMSCKYIQNQ-RKDXNWHRSA-N 1 1 199.319 1.545 10 0 ADAEMO CC(=O)[C@H](C)[N@@H+]1CCSC[C@@H]1C 69761213 343439965 /nfs/dbraw/zinc/43/99/65/343439965.db2.gz LLSQGAGSRMMLCE-YUMQZZPRSA-N 1 1 187.308 1.401 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1CCSC[C@@H]1C 69761213 343439966 /nfs/dbraw/zinc/43/99/66/343439966.db2.gz LLSQGAGSRMMLCE-YUMQZZPRSA-N 1 1 187.308 1.401 10 0 ADAEMO C[C@@H]1CSCC[N@@H+]1CC(=O)C1CC1 69761262 343439970 /nfs/dbraw/zinc/43/99/70/343439970.db2.gz UEFLGNSTTOBZCC-MRVPVSSYSA-N 1 1 199.319 1.403 10 0 ADAEMO C[C@@H]1CSCC[N@H+]1CC(=O)C1CC1 69761262 343439973 /nfs/dbraw/zinc/43/99/73/343439973.db2.gz UEFLGNSTTOBZCC-MRVPVSSYSA-N 1 1 199.319 1.403 10 0 ADAEMO C[C@H]1CSCC[N@@H+]1CC(=O)C1CC1 69761263 343440094 /nfs/dbraw/zinc/44/00/94/343440094.db2.gz UEFLGNSTTOBZCC-QMMMGPOBSA-N 1 1 199.319 1.403 10 0 ADAEMO C[C@H]1CSCC[N@H+]1CC(=O)C1CC1 69761263 343440096 /nfs/dbraw/zinc/44/00/96/343440096.db2.gz UEFLGNSTTOBZCC-QMMMGPOBSA-N 1 1 199.319 1.403 10 0 ADAEMO O[C@@H]1CC[N@@H+](CCc2ccsc2)C1 69766872 343440410 /nfs/dbraw/zinc/44/04/10/343440410.db2.gz YYOAXZGBXJDVMH-SNVBAGLBSA-N 1 1 197.303 1.357 10 0 ADAEMO CC1(C)CCC[N@H+](C(C)(C)CN)C1 69793045 343441467 /nfs/dbraw/zinc/44/14/67/343441467.db2.gz QASOAHMIDKVBDT-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC1(C)CCCN(C(C)(C)C[NH3+])C1 69793045 343441471 /nfs/dbraw/zinc/44/14/71/343441471.db2.gz QASOAHMIDKVBDT-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC1(C)CCC[N@H+](C[C@H](N)C2CC2)C1 69793245 343441566 /nfs/dbraw/zinc/44/15/66/343441566.db2.gz WPBPCYXPDRTYOP-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO CC1(C)CCC[N@@H+](C[C@H](N)C2CC2)C1 69793245 343441570 /nfs/dbraw/zinc/44/15/70/343441570.db2.gz WPBPCYXPDRTYOP-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@@H](N)[C@@H](C)[N@H+]1CCCC(C)(C)C1 69793140 343441593 /nfs/dbraw/zinc/44/15/93/343441593.db2.gz MICRWQRITPXXGJ-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C)N1CCCC(C)(C)C1 69793140 343441595 /nfs/dbraw/zinc/44/15/95/343441595.db2.gz MICRWQRITPXXGJ-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@H](CN)[N@H+]1CCCC(C)(C)C1 69792840 343441622 /nfs/dbraw/zinc/44/16/22/343441622.db2.gz CEAIGDMGVHVDMI-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H](C[NH3+])N1CCCC(C)(C)C1 69792840 343441626 /nfs/dbraw/zinc/44/16/26/343441626.db2.gz CEAIGDMGVHVDMI-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H](CN)[N@H+]1CCCC(C)(C)C1 69792871 343441698 /nfs/dbraw/zinc/44/16/98/343441698.db2.gz QYXPCKBYBQBKOQ-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@H](C[NH3+])N1CCCC(C)(C)C1 69792871 343441700 /nfs/dbraw/zinc/44/17/00/343441700.db2.gz QYXPCKBYBQBKOQ-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H](CN)[N@H+]1CCCC(C)(C)C1 69792869 343441741 /nfs/dbraw/zinc/44/17/41/343441741.db2.gz QYXPCKBYBQBKOQ-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H](C[NH3+])N1CCCC(C)(C)C1 69792869 343441743 /nfs/dbraw/zinc/44/17/43/343441743.db2.gz QYXPCKBYBQBKOQ-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H](CN)[N@H+]1CCCC(C)(C)C1 69792842 343441755 /nfs/dbraw/zinc/44/17/55/343441755.db2.gz CEAIGDMGVHVDMI-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H](C[NH3+])N1CCCC(C)(C)C1 69792842 343441756 /nfs/dbraw/zinc/44/17/56/343441756.db2.gz CEAIGDMGVHVDMI-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC1(C)CCC[N@H+](C[C@@H](N)C2CC2)C1 69793246 343441767 /nfs/dbraw/zinc/44/17/67/343441767.db2.gz WPBPCYXPDRTYOP-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO CC1(C)CCC[N@@H+](C[C@@H](N)C2CC2)C1 69793246 343441769 /nfs/dbraw/zinc/44/17/69/343441769.db2.gz WPBPCYXPDRTYOP-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H](N)[C@H](C)[N@H+]1CCCC(C)(C)C1 69793142 343441869 /nfs/dbraw/zinc/44/18/69/343441869.db2.gz MICRWQRITPXXGJ-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)N1CCCC(C)(C)C1 69793142 343441872 /nfs/dbraw/zinc/44/18/72/343441872.db2.gz MICRWQRITPXXGJ-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@H+]1CCCC(C)(C)C1 69793138 343441876 /nfs/dbraw/zinc/44/18/76/343441876.db2.gz MICRWQRITPXXGJ-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C)N1CCCC(C)(C)C1 69793138 343441878 /nfs/dbraw/zinc/44/18/78/343441878.db2.gz MICRWQRITPXXGJ-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]([C@@H](C)N)[N@H+]1CCCC(C)(C)C1 69793144 343441902 /nfs/dbraw/zinc/44/19/02/343441902.db2.gz MICRWQRITPXXGJ-ZJUUUORDSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]([C@@H](C)[NH3+])N1CCCC(C)(C)C1 69793144 343441904 /nfs/dbraw/zinc/44/19/04/343441904.db2.gz MICRWQRITPXXGJ-ZJUUUORDSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@H](N)C[N@@H+]1CCCC(C)(C)C1 69793264 343441911 /nfs/dbraw/zinc/44/19/11/343441911.db2.gz FJVSRQQYJNUTTJ-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H](N)C[N@H+]1CCCC(C)(C)C1 69793264 343441913 /nfs/dbraw/zinc/44/19/13/343441913.db2.gz FJVSRQQYJNUTTJ-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CC1(C)CCC[N@@H+](CC(N)=S)C1 69793333 343441926 /nfs/dbraw/zinc/44/19/26/343441926.db2.gz UUEGIKMPNBEKCM-UHFFFAOYSA-N 1 1 186.324 1.395 10 0 ADAEMO CC1(C)CCC[N@@H+](C2CCNCC2)C1 69793403 343441943 /nfs/dbraw/zinc/44/19/43/343441943.db2.gz JBOHBSPVBUOSBA-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO CC1(C)CCC[N@H+](C2CCNCC2)C1 69793403 343441944 /nfs/dbraw/zinc/44/19/44/343441944.db2.gz JBOHBSPVBUOSBA-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO Cc1nonc1C[NH2+][C@@H]1CC1(C)C 69795113 343442275 /nfs/dbraw/zinc/44/22/75/343442275.db2.gz ZNEGHDIZGUJPMG-MRVPVSSYSA-N 1 1 181.239 1.266 10 0 ADAEMO Cc1nonc1C[NH2+][C@H]1CC1(C)C 69795115 343442454 /nfs/dbraw/zinc/44/24/54/343442454.db2.gz ZNEGHDIZGUJPMG-QMMMGPOBSA-N 1 1 181.239 1.266 10 0 ADAEMO Cc1ccsc1[C@H]1[C@H](N)CC[N@@H+]1C 69798949 343442925 /nfs/dbraw/zinc/44/29/25/343442925.db2.gz STRYOROPSVJNFZ-RKDXNWHRSA-N 1 1 196.319 1.760 10 0 ADAEMO CC[N@@H+]1CC[C@H](N)[C@@H]1c1ccccc1 69799713 343442694 /nfs/dbraw/zinc/44/26/94/343442694.db2.gz YJRQUAURNNVCEM-RYUDHWBXSA-N 1 1 190.290 1.781 10 0 ADAEMO CC[N@H+]1CC[C@H](N)[C@@H]1c1ccccc1 69799713 343442696 /nfs/dbraw/zinc/44/26/96/343442696.db2.gz YJRQUAURNNVCEM-RYUDHWBXSA-N 1 1 190.290 1.781 10 0 ADAEMO Cc1cccc([C@@H]2[C@@H](N)CC[N@H+]2C)c1 69798836 343442745 /nfs/dbraw/zinc/44/27/45/343442745.db2.gz VJAJJSQVOUQPFJ-NWDGAFQWSA-N 1 1 190.290 1.699 10 0 ADAEMO Cc1cccc([C@@H]2[C@@H](N)CC[N@@H+]2C)c1 69798836 343442747 /nfs/dbraw/zinc/44/27/47/343442747.db2.gz VJAJJSQVOUQPFJ-NWDGAFQWSA-N 1 1 190.290 1.699 10 0 ADAEMO Cc1cccc([C@H]2[C@H](N)CC[N@H+]2C)c1 69798834 343442758 /nfs/dbraw/zinc/44/27/58/343442758.db2.gz VJAJJSQVOUQPFJ-NEPJUHHUSA-N 1 1 190.290 1.699 10 0 ADAEMO Cc1cccc([C@H]2[C@H](N)CC[N@@H+]2C)c1 69798834 343442761 /nfs/dbraw/zinc/44/27/61/343442761.db2.gz 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/nfs/dbraw/zinc/46/55/25/343465525.db2.gz FKTWGCOBJBWICH-WDSKDSINSA-N 1 1 199.279 1.310 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@H]2CCCS2)o1 70005464 343465644 /nfs/dbraw/zinc/46/56/44/343465644.db2.gz HDZKAJKIGCNNFP-NTSWFWBYSA-N 1 1 199.279 1.657 10 0 ADAEMO Cc1c[nH+]ccc1NCc1nnc[nH]1 70047106 343469732 /nfs/dbraw/zinc/46/97/32/343469732.db2.gz IYWFJHYKPGGAFK-UHFFFAOYSA-N 1 1 189.222 1.120 10 0 ADAEMO C[N@@H+](CC1CCCC1)[C@@H]1CCC[C@@H]1N 70073152 343473845 /nfs/dbraw/zinc/47/38/45/343473845.db2.gz ONCADEZUKRAETO-NWDGAFQWSA-N 1 1 196.338 1.988 10 0 ADAEMO CN(CC1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] 70073152 343473847 /nfs/dbraw/zinc/47/38/47/343473847.db2.gz ONCADEZUKRAETO-NWDGAFQWSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CC[N@H+](C2CCCCC2)C[C@@H]1N 70145024 343474923 /nfs/dbraw/zinc/47/49/23/343474923.db2.gz GRQRNRVVGBIMJR-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CCN(C2CCCCC2)C[C@@H]1[NH3+] 70145024 343474925 /nfs/dbraw/zinc/47/49/25/343474925.db2.gz GRQRNRVVGBIMJR-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)C[N@H+]1CC[C@H](C)[C@@H](N)C1 70144436 343474947 /nfs/dbraw/zinc/47/49/47/343474947.db2.gz JNCNGFRQNINNCG-UWVGGRQHSA-N 1 1 170.300 1.312 10 0 ADAEMO CC(C)CN1CC[C@H](C)[C@@H]([NH3+])C1 70144436 343474949 /nfs/dbraw/zinc/47/49/49/343474949.db2.gz JNCNGFRQNINNCG-UWVGGRQHSA-N 1 1 170.300 1.312 10 0 ADAEMO C[C@@H]1CC[N@H+](C2CCCCC2)C[C@@H]1N 70145023 343475071 /nfs/dbraw/zinc/47/50/71/343475071.db2.gz GRQRNRVVGBIMJR-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1CCN(C2CCCCC2)C[C@@H]1[NH3+] 70145023 343475074 /nfs/dbraw/zinc/47/50/74/343475074.db2.gz GRQRNRVVGBIMJR-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@H](C)[C@@H](N)C1 70144434 343475180 /nfs/dbraw/zinc/47/51/80/343475180.db2.gz JNCNGFRQNINNCG-ZJUUUORDSA-N 1 1 170.300 1.312 10 0 ADAEMO CC(C)CN1CC[C@@H](C)[C@@H]([NH3+])C1 70144434 343475182 /nfs/dbraw/zinc/47/51/82/343475182.db2.gz JNCNGFRQNINNCG-ZJUUUORDSA-N 1 1 170.300 1.312 10 0 ADAEMO CSCC[NH+]1CCC(=O)CC1 70184474 343477174 /nfs/dbraw/zinc/47/71/74/343477174.db2.gz HQVUOLTYTVQSSK-UHFFFAOYSA-N 1 1 173.281 1.014 10 0 ADAEMO CCNC(=O)[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C 70191723 343478136 /nfs/dbraw/zinc/47/81/36/343478136.db2.gz IBUDHKYRELIBSQ-AEJSXWLSSA-N 1 1 198.310 1.384 10 0 ADAEMO CCNC(=O)[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C 70191722 343478360 /nfs/dbraw/zinc/47/83/60/343478360.db2.gz IBUDHKYRELIBSQ-KXUCPTDWSA-N 1 1 198.310 1.384 10 0 ADAEMO CCCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]12 70226859 343481674 /nfs/dbraw/zinc/48/16/74/343481674.db2.gz ZGIYDURWFZUBIU-VHSXEESVSA-N 1 1 196.294 1.139 10 0 ADAEMO CCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 70226858 343481752 /nfs/dbraw/zinc/48/17/52/343481752.db2.gz ZGIYDURWFZUBIU-NXEZZACHSA-N 1 1 196.294 1.139 10 0 ADAEMO C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 70227532 343482831 /nfs/dbraw/zinc/48/28/31/343482831.db2.gz IHCVHABQGWDTJM-VIFPVBQESA-N 1 1 198.310 1.243 10 0 ADAEMO C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 70227531 343482846 /nfs/dbraw/zinc/48/28/46/343482846.db2.gz IHCVHABQGWDTJM-SECBINFHSA-N 1 1 198.310 1.243 10 0 ADAEMO C[C@@H]1CCCCC[N@H+]1CCN 70408323 343486870 /nfs/dbraw/zinc/48/68/70/343486870.db2.gz XIASLOLBDNKXOV-SECBINFHSA-N 1 1 156.273 1.210 10 0 ADAEMO C[C@@H]1CCCCCN1CC[NH3+] 70408323 343486872 /nfs/dbraw/zinc/48/68/72/343486872.db2.gz XIASLOLBDNKXOV-SECBINFHSA-N 1 1 156.273 1.210 10 0 ADAEMO C[C@@H](CN)[N@H+]1CCCCC[C@H]1C 70408567 343486910 /nfs/dbraw/zinc/48/69/10/343486910.db2.gz CJBLUAXTMYYPCK-ZJUUUORDSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@@H](CN)[N@H+]1CCCCC[C@@H]1C 70408568 343487135 /nfs/dbraw/zinc/48/71/35/343487135.db2.gz CJBLUAXTMYYPCK-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@H]1CCCCC[N@H+]1CCN 70408324 343487202 /nfs/dbraw/zinc/48/72/02/343487202.db2.gz XIASLOLBDNKXOV-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO C[C@H]1CCCCCN1CC[NH3+] 70408324 343487204 /nfs/dbraw/zinc/48/72/04/343487204.db2.gz XIASLOLBDNKXOV-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO Cc1n[nH]c([C@@H]2CCC[C@@H]([NH3+])C2)n1 70501899 343488452 /nfs/dbraw/zinc/48/84/52/343488452.db2.gz GRIUWDRZVINXLB-HTQZYQBOSA-N 1 1 180.255 1.098 10 0 ADAEMO Cc1nnc([C@@H]2CCC[C@@H]([NH3+])C2)[nH]1 70501899 343488453 /nfs/dbraw/zinc/48/84/53/343488453.db2.gz GRIUWDRZVINXLB-HTQZYQBOSA-N 1 1 180.255 1.098 10 0 ADAEMO CCc1n[nH]c([C@@H]2CCC[C@@H]([NH3+])C2)n1 70501906 343488569 /nfs/dbraw/zinc/48/85/69/343488569.db2.gz YHZZEADSPKOYOI-HTQZYQBOSA-N 1 1 194.282 1.352 10 0 ADAEMO CCc1nnc([C@@H]2CCC[C@@H]([NH3+])C2)[nH]1 70501906 343488571 /nfs/dbraw/zinc/48/85/71/343488571.db2.gz YHZZEADSPKOYOI-HTQZYQBOSA-N 1 1 194.282 1.352 10 0 ADAEMO CCc1n[nH]c([C@@H]2CCC[C@H]([NH3+])C2)n1 70501902 343488611 /nfs/dbraw/zinc/48/86/11/343488611.db2.gz YHZZEADSPKOYOI-SFYZADRCSA-N 1 1 194.282 1.352 10 0 ADAEMO CCc1nnc([C@@H]2CCC[C@H]([NH3+])C2)[nH]1 70501902 343488613 /nfs/dbraw/zinc/48/86/13/343488613.db2.gz YHZZEADSPKOYOI-SFYZADRCSA-N 1 1 194.282 1.352 10 0 ADAEMO Cc1n[nH]c([C@@H]2CCC[C@H]([NH3+])C2)n1 70501895 343488622 /nfs/dbraw/zinc/48/86/22/343488622.db2.gz GRIUWDRZVINXLB-SFYZADRCSA-N 1 1 180.255 1.098 10 0 ADAEMO Cc1nnc([C@@H]2CCC[C@H]([NH3+])C2)[nH]1 70501895 343488625 /nfs/dbraw/zinc/48/86/25/343488625.db2.gz GRIUWDRZVINXLB-SFYZADRCSA-N 1 1 180.255 1.098 10 0 ADAEMO Cc1n[nH]c([C@H]2CCC[C@@H]([NH3+])C2)n1 70501901 343488694 /nfs/dbraw/zinc/48/86/94/343488694.db2.gz GRIUWDRZVINXLB-JGVFFNPUSA-N 1 1 180.255 1.098 10 0 ADAEMO Cc1nnc([C@H]2CCC[C@@H]([NH3+])C2)[nH]1 70501901 343488696 /nfs/dbraw/zinc/48/86/96/343488696.db2.gz GRIUWDRZVINXLB-JGVFFNPUSA-N 1 1 180.255 1.098 10 0 ADAEMO Cc1n[nH]c([C@H]2CCC[C@H]([NH3+])C2)n1 70501897 343488733 /nfs/dbraw/zinc/48/87/33/343488733.db2.gz GRIUWDRZVINXLB-YUMQZZPRSA-N 1 1 180.255 1.098 10 0 ADAEMO Cc1nnc([C@H]2CCC[C@H]([NH3+])C2)[nH]1 70501897 343488737 /nfs/dbraw/zinc/48/87/37/343488737.db2.gz GRIUWDRZVINXLB-YUMQZZPRSA-N 1 1 180.255 1.098 10 0 ADAEMO CCc1nnc([C@H]2CCC[C@H]([NH3+])C2)[nH]1 70501905 343488822 /nfs/dbraw/zinc/48/88/22/343488822.db2.gz YHZZEADSPKOYOI-YUMQZZPRSA-N 1 1 194.282 1.352 10 0 ADAEMO CCc1n[nH]c([C@H]2CCC[C@@H]([NH3+])C2)n1 70501908 343488831 /nfs/dbraw/zinc/48/88/31/343488831.db2.gz YHZZEADSPKOYOI-JGVFFNPUSA-N 1 1 194.282 1.352 10 0 ADAEMO CCc1nnc([C@H]2CCC[C@@H]([NH3+])C2)[nH]1 70501908 343488835 /nfs/dbraw/zinc/48/88/35/343488835.db2.gz YHZZEADSPKOYOI-JGVFFNPUSA-N 1 1 194.282 1.352 10 0 ADAEMO C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](N)C1 70557932 343489652 /nfs/dbraw/zinc/48/96/52/343489652.db2.gz VHWAKTDAMUMPRY-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO CC1(CN2CC[C@H]([NH3+])C2)CCCC1 70558222 343490044 /nfs/dbraw/zinc/49/00/44/343490044.db2.gz PABWHZIGCSTNAR-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H](CC1CC1)[N@H+]1CC[C@H](N)C1 70559244 343490037 /nfs/dbraw/zinc/49/00/37/343490037.db2.gz AHHXOFPFDNLGBB-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO CC1(C[N@H+]2CC[C@H](N)C2)CCCC1 70558222 343490043 /nfs/dbraw/zinc/49/00/43/343490043.db2.gz PABWHZIGCSTNAR-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](N)C1 70557934 343490274 /nfs/dbraw/zinc/49/02/74/343490274.db2.gz VHWAKTDAMUMPRY-KXUCPTDWSA-N 1 1 168.284 1.208 10 0 ADAEMO CC1(C[N@H+]2CC[C@@H](N)C2)CCCC1 70558223 343490300 /nfs/dbraw/zinc/49/03/00/343490300.db2.gz PABWHZIGCSTNAR-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO CC1(CN2CC[C@@H]([NH3+])C2)CCCC1 70558223 343490304 /nfs/dbraw/zinc/49/03/04/343490304.db2.gz PABWHZIGCSTNAR-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H]1CCC[C@H]1[N@H+]1CC[C@H](N)C1 70557935 343490308 /nfs/dbraw/zinc/49/03/08/343490308.db2.gz VHWAKTDAMUMPRY-LPEHRKFASA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@H](N)C1 70559243 343490369 /nfs/dbraw/zinc/49/03/69/343490369.db2.gz AHHXOFPFDNLGBB-WPRPVWTQSA-N 1 1 168.284 1.208 10 0 ADAEMO CN[C@H]1CC[N@@H+]([C@H](C)C2CCCC2)C1 70559493 343490410 /nfs/dbraw/zinc/49/04/10/343490410.db2.gz YCOJRMNZYRBJIW-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CN[C@H]1CC[N@H+]([C@H](C)C2CCCC2)C1 70559493 343490413 /nfs/dbraw/zinc/49/04/13/343490413.db2.gz YCOJRMNZYRBJIW-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1CCC[C@]([NH3+])(CN)C1 70563127 343491680 /nfs/dbraw/zinc/49/16/80/343491680.db2.gz OWKJEGJXRSPWOM-RKDXNWHRSA-N 1 1 156.273 1.243 10 0 ADAEMO CC[C@H]1CCC[C@]([NH3+])(CN)C1 70563128 343491817 /nfs/dbraw/zinc/49/18/17/343491817.db2.gz OWKJEGJXRSPWOM-DTWKUNHWSA-N 1 1 156.273 1.243 10 0 ADAEMO CC[C@@H]1CCC[C@@]([NH3+])(CN)C1 70563129 343491859 /nfs/dbraw/zinc/49/18/59/343491859.db2.gz OWKJEGJXRSPWOM-BDAKNGLRSA-N 1 1 156.273 1.243 10 0 ADAEMO CC[C@H]1CCC[C@@]([NH3+])(CN)C1 70563130 343491868 /nfs/dbraw/zinc/49/18/68/343491868.db2.gz OWKJEGJXRSPWOM-IUCAKERBSA-N 1 1 156.273 1.243 10 0 ADAEMO CC[C@H]1CCC[C@@H](N2CC[NH2+]CC2)C1 70563398 343491927 /nfs/dbraw/zinc/49/19/27/343491927.db2.gz JRCNWQVCMLBMBG-NWDGAFQWSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H]1CCC[C@H](N2CC[NH2+]CC2)C1 70563395 343491939 /nfs/dbraw/zinc/49/19/39/343491939.db2.gz JRCNWQVCMLBMBG-NEPJUHHUSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H]1CCC[C@@H](N2CC[NH2+]CC2)C1 70563397 343491952 /nfs/dbraw/zinc/49/19/52/343491952.db2.gz JRCNWQVCMLBMBG-VXGBXAGGSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@H]1CCC[C@H](N2CC[NH2+]CC2)C1 70563396 343491977 /nfs/dbraw/zinc/49/19/77/343491977.db2.gz JRCNWQVCMLBMBG-RYUDHWBXSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]1CCC[C@@H](n2cnc(C[NH3+])n2)C1 70567700 343493213 /nfs/dbraw/zinc/49/32/13/343493213.db2.gz RQIPRMDMKKNHAG-RKDXNWHRSA-N 1 1 194.282 1.488 10 0 ADAEMO C[C@H]1CCC[C@@H]([NH+]2CC(N)C2)C1 70567741 343493252 /nfs/dbraw/zinc/49/32/52/343493252.db2.gz RCQYPTSXXNWGKJ-WCBMZHEXSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CCC[C@H]([NH+]2CC(N)C2)C1 70567738 343493263 /nfs/dbraw/zinc/49/32/63/343493263.db2.gz RCQYPTSXXNWGKJ-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CCC[C@@H]([NH+]2CC(N)C2)C1 70567740 343493297 /nfs/dbraw/zinc/49/32/97/343493297.db2.gz RCQYPTSXXNWGKJ-PSASIEDQSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1CCC[C@H](n2cnc(C[NH3+])n2)C1 70567699 343493302 /nfs/dbraw/zinc/49/33/02/343493302.db2.gz RQIPRMDMKKNHAG-IUCAKERBSA-N 1 1 194.282 1.488 10 0 ADAEMO C[C@H]1CCC[C@H]([NH+]2CC(N)C2)C1 70567739 343493338 /nfs/dbraw/zinc/49/33/38/343493338.db2.gz RCQYPTSXXNWGKJ-WPRPVWTQSA-N 1 1 168.284 1.208 10 0 ADAEMO CC[C@H]1CCC[C@@H]([NH+]2CC(N)C2)C1 70567745 343493375 /nfs/dbraw/zinc/49/33/75/343493375.db2.gz ANIYIINHSOLJLY-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@H]1CCC[C@@H]([NH+]2CC(N)C2)C1 70567744 343493379 /nfs/dbraw/zinc/49/33/79/343493379.db2.gz ANIYIINHSOLJLY-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCC[C@@H](n2cnc(C[NH3+])n2)C1 70567701 343493388 /nfs/dbraw/zinc/49/33/88/343493388.db2.gz RQIPRMDMKKNHAG-DTWKUNHWSA-N 1 1 194.282 1.488 10 0 ADAEMO CC[C@H]1CCC[C@H]([NH+]2CC(N)C2)C1 70567743 343493400 /nfs/dbraw/zinc/49/34/00/343493400.db2.gz ANIYIINHSOLJLY-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCC[C@H](n2cnc(C[NH3+])n2)C1 70567698 343493469 /nfs/dbraw/zinc/49/34/69/343493469.db2.gz RQIPRMDMKKNHAG-BDAKNGLRSA-N 1 1 194.282 1.488 10 0 ADAEMO CC[C@@H]1CCC[C@H]([NH+]2CC(N)C2)C1 70567742 343493478 /nfs/dbraw/zinc/49/34/78/343493478.db2.gz ANIYIINHSOLJLY-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@H]1CCCC[C@@]1([NH3+])CN 70568387 343493714 /nfs/dbraw/zinc/49/37/14/343493714.db2.gz MMOXEIPDFAWISZ-DTWKUNHWSA-N 1 1 156.273 1.243 10 0 ADAEMO CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)C 70568346 343493722 /nfs/dbraw/zinc/49/37/22/343493722.db2.gz GEZWNPWWFABCLX-MNOVXSKESA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H]1CCCC[C@]1([NH3+])CN 70568384 343493743 /nfs/dbraw/zinc/49/37/43/343493743.db2.gz MMOXEIPDFAWISZ-BDAKNGLRSA-N 1 1 156.273 1.243 10 0 ADAEMO CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)C 70568347 343493775 /nfs/dbraw/zinc/49/37/75/343493775.db2.gz GEZWNPWWFABCLX-QWRGUYRKSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H]1CCCC[C@@]1([NH3+])CN 70568386 343493821 /nfs/dbraw/zinc/49/38/21/343493821.db2.gz MMOXEIPDFAWISZ-RKDXNWHRSA-N 1 1 156.273 1.243 10 0 ADAEMO CC[C@H]1CCCC[C@]1([NH3+])CN 70568385 343493856 /nfs/dbraw/zinc/49/38/56/343493856.db2.gz MMOXEIPDFAWISZ-IUCAKERBSA-N 1 1 156.273 1.243 10 0 ADAEMO CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)C 70568348 343493866 /nfs/dbraw/zinc/49/38/66/343493866.db2.gz GEZWNPWWFABCLX-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H](N)C1 70585562 343497024 /nfs/dbraw/zinc/49/70/24/343497024.db2.gz DYPHALYSLNPKGP-VWYCJHECSA-N 1 1 182.311 1.598 10 0 ADAEMO CCC(C)(C)[N@H+]1CCC[C@@H](N)C1 70584424 343497122 /nfs/dbraw/zinc/49/71/22/343497122.db2.gz YKWBITFZIRMISX-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC(C)(C)N1CCC[C@@H]([NH3+])C1 70584424 343497125 /nfs/dbraw/zinc/49/71/25/343497125.db2.gz YKWBITFZIRMISX-SECBINFHSA-N 1 1 170.300 1.598 10 0 ADAEMO N[C@@H]1CCC[N@H+](C(C2CC2)C2CC2)C1 70586283 343497147 /nfs/dbraw/zinc/49/71/47/343497147.db2.gz AZDOFNKEEAXEEF-LLVKDONJSA-N 1 1 194.322 1.598 10 0 ADAEMO N[C@H]1CCC[N@H+](C(C2CC2)C2CC2)C1 70586282 343497226 /nfs/dbraw/zinc/49/72/26/343497226.db2.gz AZDOFNKEEAXEEF-NSHDSACASA-N 1 1 194.322 1.598 10 0 ADAEMO C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](N)C1 70585564 343497276 /nfs/dbraw/zinc/49/72/76/343497276.db2.gz DYPHALYSLNPKGP-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCC[C@H]1N1CCC[C@H]([NH3+])C1 70585564 343497278 /nfs/dbraw/zinc/49/72/78/343497278.db2.gz DYPHALYSLNPKGP-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO CCC(C)(C)[N@@H+]1CCC[C@H](NC)C1 70584431 343497311 /nfs/dbraw/zinc/49/73/11/343497311.db2.gz WNAVAADMQHZBHK-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@H+]1CCC[C@H](NC)C1 70584431 343497312 /nfs/dbraw/zinc/49/73/12/343497312.db2.gz WNAVAADMQHZBHK-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@@H+]1CCC[C@@H](NC)C1 70584432 343497317 /nfs/dbraw/zinc/49/73/17/343497317.db2.gz WNAVAADMQHZBHK-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@H+]1CCC[C@@H](NC)C1 70584432 343497318 /nfs/dbraw/zinc/49/73/18/343497318.db2.gz WNAVAADMQHZBHK-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC(C)(C)[N@H+]1CCC[C@H](N)C1 70584423 343497352 /nfs/dbraw/zinc/49/73/52/343497352.db2.gz YKWBITFZIRMISX-VIFPVBQESA-N 1 1 170.300 1.598 10 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DODHIBZJUWNBAQ-SNVBAGLBSA-N 1 1 170.300 1.517 10 0 ADAEMO CC(C)NC[C@]1(C)CCC[NH2+]1 70619669 343504753 /nfs/dbraw/zinc/50/47/53/343504753.db2.gz COBOEFSVMYXDJT-VIFPVBQESA-N 1 1 156.273 1.127 10 0 ADAEMO CN(C1CC1)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 70623008 343505571 /nfs/dbraw/zinc/50/55/71/343505571.db2.gz YOWWCCILIIUSHF-GHMZBOCLSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@H+](C1CC1)[C@@H]1CC(C)(C)CC[C@H]1N 70623008 343505573 /nfs/dbraw/zinc/50/55/73/343505573.db2.gz YOWWCCILIIUSHF-GHMZBOCLSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CC(C)(C)CC[C@H]1N 70623008 343505575 /nfs/dbraw/zinc/50/55/75/343505575.db2.gz YOWWCCILIIUSHF-GHMZBOCLSA-N 1 1 196.338 1.987 10 0 ADAEMO CN(C)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70622994 343505581 /nfs/dbraw/zinc/50/55/81/343505581.db2.gz DTDMDXSAPJPVAV-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C1CC1)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70623009 343505638 /nfs/dbraw/zinc/50/56/38/343505638.db2.gz YOWWCCILIIUSHF-QWRGUYRKSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@H+](C1CC1)[C@H]1CC(C)(C)CC[C@@H]1N 70623009 343505641 /nfs/dbraw/zinc/50/56/41/343505641.db2.gz YOWWCCILIIUSHF-QWRGUYRKSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CC(C)(C)CC[C@@H]1N 70623009 343505643 /nfs/dbraw/zinc/50/56/43/343505643.db2.gz YOWWCCILIIUSHF-QWRGUYRKSA-N 1 1 196.338 1.987 10 0 ADAEMO CN(C)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70622992 343505670 /nfs/dbraw/zinc/50/56/70/343505670.db2.gz DTDMDXSAPJPVAV-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C1CC1)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70623007 343505692 /nfs/dbraw/zinc/50/56/92/343505692.db2.gz YOWWCCILIIUSHF-WDEREUQCSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@H+](C1CC1)[C@@H]1CC(C)(C)CC[C@@H]1N 70623007 343505695 /nfs/dbraw/zinc/50/56/95/343505695.db2.gz YOWWCCILIIUSHF-WDEREUQCSA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CC(C)(C)CC[C@@H]1N 70623007 343505698 /nfs/dbraw/zinc/50/56/98/343505698.db2.gz YOWWCCILIIUSHF-WDEREUQCSA-N 1 1 196.338 1.987 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CC(C)(C)CC[C@@H]1N 70623004 343505719 /nfs/dbraw/zinc/50/57/19/343505719.db2.gz YXBWVUCGROAZEZ-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO CCN(C)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70623004 343505722 /nfs/dbraw/zinc/50/57/22/343505722.db2.gz YXBWVUCGROAZEZ-VHSXEESVSA-N 1 1 184.327 1.844 10 0 ADAEMO CN(C)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 70622993 343505759 /nfs/dbraw/zinc/50/57/59/343505759.db2.gz DTDMDXSAPJPVAV-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO CN(C)[C@H]1CC(C)(C)CC[C@H]1[NH3+] 70622995 343505829 /nfs/dbraw/zinc/50/58/29/343505829.db2.gz DTDMDXSAPJPVAV-BDAKNGLRSA-N 1 1 170.300 1.454 10 0 ADAEMO CCN(C)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70623005 343505874 /nfs/dbraw/zinc/50/58/74/343505874.db2.gz YXBWVUCGROAZEZ-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO CN(C1CC1)[C@H]1CC(C)(C)CC[C@H]1[NH3+] 70623010 343505911 /nfs/dbraw/zinc/50/59/11/343505911.db2.gz YOWWCCILIIUSHF-MNOVXSKESA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@H+](C1CC1)[C@H]1CC(C)(C)CC[C@H]1N 70623010 343505913 /nfs/dbraw/zinc/50/59/13/343505913.db2.gz YOWWCCILIIUSHF-MNOVXSKESA-N 1 1 196.338 1.987 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CC(C)(C)CC[C@H]1N 70623010 343505915 /nfs/dbraw/zinc/50/59/15/343505915.db2.gz YOWWCCILIIUSHF-MNOVXSKESA-N 1 1 196.338 1.987 10 0 ADAEMO CC1(C)CCC([N@H+]2CC[C@@H](N)C2)CC1 70623266 343506116 /nfs/dbraw/zinc/50/61/16/343506116.db2.gz ICUFONJJNHDSNJ-SNVBAGLBSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)CCc2nc(C[NH3+])[nH]c2C1 70623319 343506266 /nfs/dbraw/zinc/50/62/66/343506266.db2.gz JIJXERJBSAJVQM-UHFFFAOYSA-N 1 1 179.267 1.383 10 0 ADAEMO C[NH2+]Cc1nc2c([nH]1)CCC(C)(C)C2 70623320 343506281 /nfs/dbraw/zinc/50/62/81/343506281.db2.gz SYORGLZFZDNJJZ-UHFFFAOYSA-N 1 1 193.294 1.644 10 0 ADAEMO CN(C)C1(C[NH3+])CCC(C)(C)CC1 70623211 343506295 /nfs/dbraw/zinc/50/62/95/343506295.db2.gz GHSNWJIGDRTMTI-UHFFFAOYSA-N 1 1 184.327 1.846 10 0 ADAEMO CC1(C)CCC([NH3+])(CN)CC1 70623212 343506423 /nfs/dbraw/zinc/50/64/23/343506423.db2.gz ZHDVMPMLHDKRED-UHFFFAOYSA-N 1 1 156.273 1.243 10 0 ADAEMO CC1(C)CCC(N2CC[NH2+]CC2)CC1 70623261 343506430 /nfs/dbraw/zinc/50/64/30/343506430.db2.gz UCCRHYGCBXQYBZ-UHFFFAOYSA-N 1 1 196.338 1.860 10 0 ADAEMO CC1(C)CCC([N@H+]2CC[C@H](N)C2)CC1 70623265 343506450 /nfs/dbraw/zinc/50/64/50/343506450.db2.gz ICUFONJJNHDSNJ-JTQLQIEISA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)CCC[C@]([NH3+])(CN)C1 70629078 343508855 /nfs/dbraw/zinc/50/88/55/343508855.db2.gz JQLVRBZMBKPOHP-SECBINFHSA-N 1 1 156.273 1.243 10 0 ADAEMO CC1(C)CCC[C@@H]([N@H+]2CC[C@H](N)C2)C1 70629143 343508906 /nfs/dbraw/zinc/50/89/06/343508906.db2.gz YFMHGDPTXBINQF-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CN(C)[C@@]1(C[NH3+])CCCC(C)(C)C1 70629077 343508914 /nfs/dbraw/zinc/50/89/14/343508914.db2.gz SXMVQAISTIVSKI-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO Cc1ccnn1Cc1ccc[nH+]c1N 70629976 343509692 /nfs/dbraw/zinc/50/96/92/343509692.db2.gz VFOVQHJTEFFOIC-UHFFFAOYSA-N 1 1 188.234 1.217 10 0 ADAEMO Cc1[nH]ncc1[C@@H]1CCC[NH2+]1 70630642 343509747 /nfs/dbraw/zinc/50/97/47/343509747.db2.gz UMOYTXNKDJVZOF-QMMMGPOBSA-N 1 1 151.213 1.143 10 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Cc1cnc(N)c([C@@H]2CC[C@@H]([NH3+])C2)c1 70636855 343512315 /nfs/dbraw/zinc/51/23/15/343512315.db2.gz BGYWLZONPWVGBK-RKDXNWHRSA-N 1 1 191.278 1.567 10 0 ADAEMO Cc1ccnc(N)c1[C@@H]1CC[C@@H]([NH3+])C1 70636792 343512318 /nfs/dbraw/zinc/51/23/18/343512318.db2.gz DUZSTIWOWOULOR-RKDXNWHRSA-N 1 1 191.278 1.567 10 0 ADAEMO Cc1cnc(N)c([C@H]2CC[C@H]([NH3+])C2)c1 70636853 343512400 /nfs/dbraw/zinc/51/24/00/343512400.db2.gz BGYWLZONPWVGBK-IUCAKERBSA-N 1 1 191.278 1.567 10 0 ADAEMO CC[N@@H+](C)[C@@]1(CN)CC[C@H](C)C1 70644407 343515506 /nfs/dbraw/zinc/51/55/06/343515506.db2.gz QAJUSCHXOCUSMO-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCN(C)[C@@]1(C[NH3+])CC[C@H](C)C1 70644407 343515507 /nfs/dbraw/zinc/51/55/07/343515507.db2.gz QAJUSCHXOCUSMO-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[N@@H+](C)[C@]1(CN)CC[C@H](C)C1 70644406 343515534 /nfs/dbraw/zinc/51/55/34/343515534.db2.gz QAJUSCHXOCUSMO-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H]1CC[C@](C[NH3+])(N(C)C)C1 70644393 343515322 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HQQKMRAGBVRDOX-RCOVLWMOSA-N 1 1 197.307 1.452 10 0 ADAEMO Cc1nn(C)cc1[C@@H]1[NH2+]CCS1 128684058 343836396 /nfs/dbraw/zinc/83/63/96/343836396.db2.gz FMXXRJVJODFSEL-MRVPVSSYSA-N 1 1 183.280 1.064 10 0 ADAEMO Cc1nn(C)cc1[C@@H]1[NH2+]C[C@@H](C)S1 128685782 343836401 /nfs/dbraw/zinc/83/64/01/343836401.db2.gz LKBDOHKWOKRODM-HZGVNTEJSA-N 1 1 197.307 1.452 10 0 ADAEMO Cc1ccc(NCC2(O)CCC2)[nH+]c1 128760277 343836608 /nfs/dbraw/zinc/83/66/08/343836608.db2.gz VWGXUQLKJJOUQX-UHFFFAOYSA-N 1 1 192.262 1.717 10 0 ADAEMO C[NH2+][C@@H](CN)c1coc2ccccc12 128725009 343836644 /nfs/dbraw/zinc/83/66/44/343836644.db2.gz LLTCNFZOJIBDPO-JTQLQIEISA-N 1 1 190.246 1.652 10 0 ADAEMO C[NH2+][C@H](CN)c1coc2ccccc12 128725260 343836732 /nfs/dbraw/zinc/83/67/32/343836732.db2.gz LLTCNFZOJIBDPO-SNVBAGLBSA-N 1 1 190.246 1.652 10 0 ADAEMO COC(=[NH2+])C[C@H]1CCCCO1 129041905 343843213 /nfs/dbraw/zinc/84/32/13/343843213.db2.gz FZLDQZPDLZYHFN-SSDOTTSWSA-N 1 1 157.213 1.569 10 0 ADAEMO C[N@@H+](Cc1ccc(N)cn1)C1CC1 129045923 343843243 /nfs/dbraw/zinc/84/32/43/343843243.db2.gz FZELRJKPMKECKP-UHFFFAOYSA-N 1 1 177.251 1.258 10 0 ADAEMO CCOC(=[NH2+])C[C@@H](C)OC 129042145 343843332 /nfs/dbraw/zinc/84/33/32/343843332.db2.gz SJPHDJWZJPUUPP-ZCFIWIBFSA-N 1 1 145.202 1.425 10 0 ADAEMO C[C@H]1CCC[N@H+]1Cc1ccc(N)cn1 129060058 343843707 /nfs/dbraw/zinc/84/37/07/343843707.db2.gz ZKDXHVOQBCGCGW-VIFPVBQESA-N 1 1 191.278 1.648 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2ccc(N)cn2)C1 129066120 343843891 /nfs/dbraw/zinc/84/38/91/343843891.db2.gz VKHHMGVRPFUHQV-SECBINFHSA-N 1 1 191.278 1.506 10 0 ADAEMO CCSCC[NH2+]CC(F)F 129063161 343843911 /nfs/dbraw/zinc/84/39/11/343843911.db2.gz GXUZJPMWIURIMX-UHFFFAOYSA-N 1 1 169.240 1.594 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ccc(N)cn2)C1 129066311 343843954 /nfs/dbraw/zinc/84/39/54/343843954.db2.gz VKHHMGVRPFUHQV-VIFPVBQESA-N 1 1 191.278 1.506 10 0 ADAEMO CSCC[C@H](C)[N@@H+](C)CCO 129163729 343845033 /nfs/dbraw/zinc/84/50/33/343845033.db2.gz FAJYXCYNXDATDA-QMMMGPOBSA-N 1 1 177.313 1.052 10 0 ADAEMO CSCC[C@@H](C)[N@@H+](C)CCO 129163904 343845148 /nfs/dbraw/zinc/84/51/48/343845148.db2.gz FAJYXCYNXDATDA-MRVPVSSYSA-N 1 1 177.313 1.052 10 0 ADAEMO C[C@H]1CC[N@H+]1CC(C)(C)C[NH3+] 129237851 343846497 /nfs/dbraw/zinc/84/64/97/343846497.db2.gz NYXOJRMNVQCWIC-QMMMGPOBSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H]1CC[N@H+]1CC(C)(C)C[NH3+] 129237636 343846596 /nfs/dbraw/zinc/84/65/96/343846596.db2.gz NYXOJRMNVQCWIC-MRVPVSSYSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)C1 129245017 343846959 /nfs/dbraw/zinc/84/69/59/343846959.db2.gz KAXUWJJUSFBZNW-DTWKUNHWSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H]1CC[C@@H]([N@H+]2CCC(=O)C2)C1 129245017 343846960 /nfs/dbraw/zinc/84/69/60/343846960.db2.gz KAXUWJJUSFBZNW-DTWKUNHWSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)C1 129244831 343846926 /nfs/dbraw/zinc/84/69/26/343846926.db2.gz KAXUWJJUSFBZNW-RKDXNWHRSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@@H]1CC[C@@H]([N@H+]2CCC(=O)C2)C1 129244831 343846928 /nfs/dbraw/zinc/84/69/28/343846928.db2.gz KAXUWJJUSFBZNW-RKDXNWHRSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H]1CC[C@H]([N@@H+]2CCC(=O)C2)C1 129244622 343846971 /nfs/dbraw/zinc/84/69/71/343846971.db2.gz KAXUWJJUSFBZNW-IUCAKERBSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H]1CC[C@H]([N@H+]2CCC(=O)C2)C1 129244622 343846973 /nfs/dbraw/zinc/84/69/73/343846973.db2.gz KAXUWJJUSFBZNW-IUCAKERBSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@@H]1CC[C@H]([N@@H+]2CCC(=O)C2)C1 129244408 343847103 /nfs/dbraw/zinc/84/71/03/343847103.db2.gz KAXUWJJUSFBZNW-BDAKNGLRSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CCC(=O)C2)C1 129244408 343847105 /nfs/dbraw/zinc/84/71/05/343847105.db2.gz KAXUWJJUSFBZNW-BDAKNGLRSA-N 1 1 167.252 1.450 10 0 ADAEMO CC1(C)CC[C@@H]([N@@H+]2CCC(=O)C2)C1 129247154 343847112 /nfs/dbraw/zinc/84/71/12/343847112.db2.gz OSUGLEHLLDJSEC-SECBINFHSA-N 1 1 181.279 1.840 10 0 ADAEMO CC1(C)CC[C@@H]([N@H+]2CCC(=O)C2)C1 129247154 343847115 /nfs/dbraw/zinc/84/71/15/343847115.db2.gz OSUGLEHLLDJSEC-SECBINFHSA-N 1 1 181.279 1.840 10 0 ADAEMO CC1(C)CC[C@H]([N@@H+]2CCC(=O)C2)C1 129246955 343847177 /nfs/dbraw/zinc/84/71/77/343847177.db2.gz OSUGLEHLLDJSEC-VIFPVBQESA-N 1 1 181.279 1.840 10 0 ADAEMO CC1(C)CC[C@H]([N@H+]2CCC(=O)C2)C1 129246955 343847178 /nfs/dbraw/zinc/84/71/78/343847178.db2.gz OSUGLEHLLDJSEC-VIFPVBQESA-N 1 1 181.279 1.840 10 0 ADAEMO [NH3+][C@H](c1ccccc1)c1cnco1 129375507 343849098 /nfs/dbraw/zinc/84/90/98/343849098.db2.gz KNSHXRALPAKWDT-SNVBAGLBSA-N 1 1 174.203 1.723 10 0 ADAEMO [NH3+][C@@H](c1ccccc1)c1cnco1 129376029 343849372 /nfs/dbraw/zinc/84/93/72/343849372.db2.gz KNSHXRALPAKWDT-JTQLQIEISA-N 1 1 174.203 1.723 10 0 ADAEMO CSCC[N@@H+]1CCNCC1(C)C 129375072 343849434 /nfs/dbraw/zinc/84/94/34/343849434.db2.gz YEPIRIPAKPMIIM-UHFFFAOYSA-N 1 1 188.340 1.033 10 0 ADAEMO CSCC[N@H+]1CCNCC1(C)C 129375072 343849437 /nfs/dbraw/zinc/84/94/37/343849437.db2.gz YEPIRIPAKPMIIM-UHFFFAOYSA-N 1 1 188.340 1.033 10 0 ADAEMO C[C@H]1CC[C@@H]([NH2+]C[C@@H](C)N)C1 129436198 343849896 /nfs/dbraw/zinc/84/98/96/343849896.db2.gz WVVGWBZXQQEURF-DJLDLDEBSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@@H](N)C[NH2+][C@H]1CC[C@@H](C)C1 129435567 343849953 /nfs/dbraw/zinc/84/99/53/343849953.db2.gz WVVGWBZXQQEURF-HLTSFMKQSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@@H](N)C[NH2+][C@@H]1CC[C@@H](C)C1 129435980 343849996 /nfs/dbraw/zinc/84/99/96/343849996.db2.gz WVVGWBZXQQEURF-IWSPIJDZSA-N 1 1 156.273 1.112 10 0 ADAEMO C[C@H]1CC[C@H]([NH2+]C[C@@H](C)N)C1 129435770 343850002 /nfs/dbraw/zinc/85/00/02/343850002.db2.gz WVVGWBZXQQEURF-YIZRAAEISA-N 1 1 156.273 1.112 10 0 ADAEMO CC1CN(C[C@]2(C)CCC[NH2+]C2)C1 129502884 343851906 /nfs/dbraw/zinc/85/19/06/343851906.db2.gz UPOLGIBJURLULT-LLVKDONJSA-N 1 1 182.311 1.328 10 0 ADAEMO CC1CN(C[C@@]2(C)CCC[NH2+]C2)C1 129503097 343851913 /nfs/dbraw/zinc/85/19/13/343851913.db2.gz UPOLGIBJURLULT-NSHDSACASA-N 1 1 182.311 1.328 10 0 ADAEMO Cc1ccc2oc(C3([NH3+])CC3)nc2n1 129521683 343852195 /nfs/dbraw/zinc/85/21/95/343852195.db2.gz WGWQRXRENCZFAE-UHFFFAOYSA-N 1 1 189.218 1.479 10 0 ADAEMO Cc1ccc2c([nH+]1)NCCCO2 129550360 343852379 /nfs/dbraw/zinc/85/23/79/343852379.db2.gz CMESAAGBVFDAEX-UHFFFAOYSA-N 1 1 164.208 1.584 10 0 ADAEMO Cc1ccc2oc([C@@H](C)[NH3+])nc2n1 129530710 343852509 /nfs/dbraw/zinc/85/25/09/343852509.db2.gz DXJSLVBKLBFVMQ-ZCFIWIBFSA-N 1 1 177.207 1.551 10 0 ADAEMO Cc1ccc2oc([C@H](C)[NH3+])nc2n1 129530923 343852617 /nfs/dbraw/zinc/85/26/17/343852617.db2.gz DXJSLVBKLBFVMQ-LURJTMIESA-N 1 1 177.207 1.551 10 0 ADAEMO C[C@@H]1C[C@H](NCc2ccco2)C[N@@H+]1C 129558293 343852936 /nfs/dbraw/zinc/85/29/36/343852936.db2.gz CIRKBHRFFHMFSU-ZJUUUORDSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1C[C@H](NCc2ccco2)C[N@H+]1C 129558293 343852938 /nfs/dbraw/zinc/85/29/38/343852938.db2.gz CIRKBHRFFHMFSU-ZJUUUORDSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1C[C@@H](NCc2ccco2)C[N@@H+]1C 129558672 343852989 /nfs/dbraw/zinc/85/29/89/343852989.db2.gz CIRKBHRFFHMFSU-NXEZZACHSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@@H]1C[C@@H](NCc2ccco2)C[N@H+]1C 129558672 343852991 /nfs/dbraw/zinc/85/29/91/343852991.db2.gz CIRKBHRFFHMFSU-NXEZZACHSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@H]1C[C@H](NCc2ccco2)C[N@@H+]1C 129558474 343852999 /nfs/dbraw/zinc/85/29/99/343852999.db2.gz CIRKBHRFFHMFSU-UWVGGRQHSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@H]1C[C@H](NCc2ccco2)C[N@H+]1C 129558474 343853002 /nfs/dbraw/zinc/85/30/02/343853002.db2.gz CIRKBHRFFHMFSU-UWVGGRQHSA-N 1 1 194.278 1.462 10 0 ADAEMO C[C@H]1NCCC[C@H]1[N@H+]1CCC[C@H]1C 129560291 343853123 /nfs/dbraw/zinc/85/31/23/343853123.db2.gz UTIIDGYZMTXFIQ-GMTAPVOTSA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@H]1NCCC[C@H]1[N@@H+]1CCC[C@H]1C 129560291 343853125 /nfs/dbraw/zinc/85/31/25/343853125.db2.gz UTIIDGYZMTXFIQ-GMTAPVOTSA-N 1 1 182.311 1.611 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(C(F)(F)F)o1 129649699 343854357 /nfs/dbraw/zinc/85/43/57/343854357.db2.gz BTIYYCYHMDMKLV-VKHMYHEASA-N 1 1 195.144 1.369 10 0 ADAEMO CCOc1cccc2[nH]c(N)[nH+]c12 129708542 343855301 /nfs/dbraw/zinc/85/53/01/343855301.db2.gz BKNNHPDPHHPCHJ-UHFFFAOYSA-N 1 1 177.207 1.544 10 0 ADAEMO CCOc1cccc2c1[nH+]c(N)n2C 129704099 343855601 /nfs/dbraw/zinc/85/56/01/343855601.db2.gz ZLHJMRFQUSXCAD-UHFFFAOYSA-N 1 1 191.234 1.554 10 0 ADAEMO CCN1CCC(C)([NH2+]C)CC1 129742730 343855874 /nfs/dbraw/zinc/85/58/74/343855874.db2.gz BSHNTFNSPYZCTA-UHFFFAOYSA-N 1 1 156.273 1.080 10 0 ADAEMO C1CC[C@@H]([NH2+]C2CCCC2)CNC1 129804507 343856479 /nfs/dbraw/zinc/85/64/79/343856479.db2.gz PKIJBYXRDNDSJQ-LLVKDONJSA-N 1 1 182.311 1.661 10 0 ADAEMO N[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 129787140 343856601 /nfs/dbraw/zinc/85/66/01/343856601.db2.gz KSKBQJRQWJDWJG-MNOVXSKESA-N 1 1 182.311 1.789 10 0 ADAEMO CC(C)Oc1cccc2[nH]c(N)[nH+]c12 129802012 343856794 /nfs/dbraw/zinc/85/67/94/343856794.db2.gz GZASHNNUYAOFLA-UHFFFAOYSA-N 1 1 191.234 1.932 10 0 ADAEMO N[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 129786679 343856822 /nfs/dbraw/zinc/85/68/22/343856822.db2.gz KSKBQJRQWJDWJG-QWRGUYRKSA-N 1 1 182.311 1.789 10 0 ADAEMO N[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 129786466 343856973 /nfs/dbraw/zinc/85/69/73/343856973.db2.gz KSKBQJRQWJDWJG-WDEREUQCSA-N 1 1 182.311 1.789 10 0 ADAEMO C1CCC([N@@H+]2CCNC[C@H]2C2CC2)C1 129938431 343859323 /nfs/dbraw/zinc/85/93/23/343859323.db2.gz WIEFTTRCSNNSRC-LBPRGKRZSA-N 1 1 194.322 1.613 10 0 ADAEMO C[C@H]1CC[C@@H]([N@H+]2CCNC[C@@H]2C)C1 129949552 343859372 /nfs/dbraw/zinc/85/93/72/343859372.db2.gz YLFZKLYVOOSHDY-GARJFASQSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CC[C@@H](N2CC[NH2+]C[C@@H]2C)C1 129949552 343859373 /nfs/dbraw/zinc/85/93/73/343859373.db2.gz YLFZKLYVOOSHDY-GARJFASQSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CC[C@H]([N@H+]2CCNC[C@@H]2C)C1 129949161 343859396 /nfs/dbraw/zinc/85/93/96/343859396.db2.gz YLFZKLYVOOSHDY-DCAQKATOSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CC[C@H](N2CC[NH2+]C[C@@H]2C)C1 129949161 343859397 /nfs/dbraw/zinc/85/93/97/343859397.db2.gz YLFZKLYVOOSHDY-DCAQKATOSA-N 1 1 182.311 1.469 10 0 ADAEMO C1CCC([N@@H+]2CCNC[C@@H]2C2CC2)C1 129938156 343859547 /nfs/dbraw/zinc/85/95/47/343859547.db2.gz WIEFTTRCSNNSRC-GFCCVEGCSA-N 1 1 194.322 1.613 10 0 ADAEMO CSCC[NH+]1[C@H](C)CNC[C@H]1C 130006334 343859878 /nfs/dbraw/zinc/85/98/78/343859878.db2.gz KTEJDYJZXCBLPE-RKDXNWHRSA-N 1 1 188.340 1.032 10 0 ADAEMO CSCC[N@@H+]1[C@@H](C)CNC[C@H]1C 130005913 343860048 /nfs/dbraw/zinc/86/00/48/343860048.db2.gz KTEJDYJZXCBLPE-DTORHVGOSA-N 1 1 188.340 1.032 10 0 ADAEMO CSCC[N@H+]1[C@@H](C)CNC[C@H]1C 130005913 343860050 /nfs/dbraw/zinc/86/00/50/343860050.db2.gz KTEJDYJZXCBLPE-DTORHVGOSA-N 1 1 188.340 1.032 10 0 ADAEMO CSCC[NH+]1[C@@H](C)CNC[C@@H]1C 130006122 343860062 /nfs/dbraw/zinc/86/00/62/343860062.db2.gz KTEJDYJZXCBLPE-IUCAKERBSA-N 1 1 188.340 1.032 10 0 ADAEMO [NH3+]C1(c2nc(C(F)(F)F)no2)CC1 130257059 343865618 /nfs/dbraw/zinc/86/56/18/343865618.db2.gz QFWVTNRNJYZEDJ-UHFFFAOYSA-N 1 1 193.128 1.036 10 0 ADAEMO [NH3+]CC[C@@H](F)[C@@H]1NCc2ccccc21 130436693 343868571 /nfs/dbraw/zinc/86/85/71/343868571.db2.gz WHDLRIRQJWRZHK-GHMZBOCLSA-N 1 1 194.253 1.518 10 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CC[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](N)C2)C1 130863673 343876479 /nfs/dbraw/zinc/87/64/79/343876479.db2.gz XLNKUWIOXRMEJR-UTUOFQBUSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](N)C1 130858953 343876511 /nfs/dbraw/zinc/87/65/11/343876511.db2.gz MWNLIQIPSGYQCR-IJLUTSLNSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](N)C1 130858505 343876517 /nfs/dbraw/zinc/87/65/17/343876517.db2.gz MWNLIQIPSGYQCR-UTUOFQBUSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H]1CCC[C@@H]([N@H+]2CC[C@@H](N)C2)C1 130864319 343876557 /nfs/dbraw/zinc/87/65/57/343876557.db2.gz XLNKUWIOXRMEJR-QJPTWQEYSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](N)C1 130858706 343876715 /nfs/dbraw/zinc/87/67/15/343876715.db2.gz MWNLIQIPSGYQCR-TUAOUCFPSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H]1CCC[C@H]([N@H+]2CC[C@@H](N)C2)C1 130863886 343876722 /nfs/dbraw/zinc/87/67/22/343876722.db2.gz XLNKUWIOXRMEJR-TUAOUCFPSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](N)C2)C1 130864098 343876745 /nfs/dbraw/zinc/87/67/45/343876745.db2.gz XLNKUWIOXRMEJR-IJLUTSLNSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CCC[N@H+]1CC1(O)CCC1 130869879 343877218 /nfs/dbraw/zinc/87/72/18/343877218.db2.gz YAZXIVUJOBXIHN-VIFPVBQESA-N 1 1 169.268 1.386 10 0 ADAEMO Cc1[nH+]cn(CCF)c1C 130980258 343878670 /nfs/dbraw/zinc/87/86/70/343878670.db2.gz FQFQSJNVRDASNM-UHFFFAOYSA-N 1 1 142.177 1.469 10 0 ADAEMO COC1(c2noc([C@H](C)[NH3+])n2)CCC1 131035286 343879275 /nfs/dbraw/zinc/87/92/75/343879275.db2.gz NMQWQXQIYIRLAD-LURJTMIESA-N 1 1 197.238 1.115 10 0 ADAEMO COC1(c2noc([C@@H](C)[NH3+])n2)CCC1 131035455 343879311 /nfs/dbraw/zinc/87/93/11/343879311.db2.gz NMQWQXQIYIRLAD-ZCFIWIBFSA-N 1 1 197.238 1.115 10 0 ADAEMO CSCCc1ccc[nH+]c1N 131127392 343880656 /nfs/dbraw/zinc/88/06/56/343880656.db2.gz GBGYTLYFJIGTED-UHFFFAOYSA-N 1 1 168.265 1.569 10 0 ADAEMO C[C@H]1CCC[C@@H](c2c[nH]cn2)[NH2+]1 131216416 343881959 /nfs/dbraw/zinc/88/19/59/343881959.db2.gz 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CJHBQCZMUZTXTQ-VIFPVBQESA-N 1 1 189.324 1.054 10 0 ADAEMO C[C@H]1CS[C@@H](c2cncs2)[NH2+]1 161610160 344194988 /nfs/dbraw/zinc/19/49/88/344194988.db2.gz MYZNBMSKWRCMEM-FSPLSTOPSA-N 1 1 186.305 1.867 10 0 ADAEMO C[C@@H](O)C[N@@H+](C)[C@H]1C=CCCC1 161619568 344195016 /nfs/dbraw/zinc/19/50/16/344195016.db2.gz FPIKKXYSFJRWCF-ZJUUUORDSA-N 1 1 169.268 1.408 10 0 ADAEMO C[C@@H]1C[NH2+][C@@H](c2cncs2)S1 161609055 344195132 /nfs/dbraw/zinc/19/51/32/344195132.db2.gz OFDPREIKYVQINV-IYSWYEEDSA-N 1 1 186.305 1.867 10 0 ADAEMO C[C@@H]1CS[C@@H](c2cncs2)[NH2+]1 161610040 344195161 /nfs/dbraw/zinc/19/51/61/344195161.db2.gz MYZNBMSKWRCMEM-VDTYLAMSSA-N 1 1 186.305 1.867 10 0 ADAEMO C[C@H]1CS[C@H](c2cncs2)[NH2+]1 161609915 344195168 /nfs/dbraw/zinc/19/51/68/344195168.db2.gz MYZNBMSKWRCMEM-CAHLUQPWSA-N 1 1 186.305 1.867 10 0 ADAEMO c1ncc([C@H]2[NH2+]CCS2)s1 161608176 344195193 /nfs/dbraw/zinc/19/51/93/344195193.db2.gz YOFWKYYOGIMDNS-LURJTMIESA-N 1 1 172.278 1.478 10 0 ADAEMO C[C@@H]1C[NH2+][C@H](c2cncs2)S1 161608814 344195219 /nfs/dbraw/zinc/19/52/19/344195219.db2.gz OFDPREIKYVQINV-VDTYLAMSSA-N 1 1 186.305 1.867 10 0 ADAEMO C[C@H]1CN(c2nc(N)cc[nH+]2)C[C@@H]1C 161622156 344195267 /nfs/dbraw/zinc/19/52/67/344195267.db2.gz FZWWKQXQNGTTLT-YUMQZZPRSA-N 1 1 192.266 1.151 10 0 ADAEMO C[C@@H]1CN(c2nc(N)cc[nH+]2)C[C@@H]1C 161622071 344195344 /nfs/dbraw/zinc/19/53/44/344195344.db2.gz FZWWKQXQNGTTLT-OCAPTIKFSA-N 1 1 192.266 1.151 10 0 ADAEMO CSC[C@@H](C)Nc1nc(N)cc[nH+]1 161665258 344195731 /nfs/dbraw/zinc/19/57/31/344195731.db2.gz RQIIJFKTHJQWSC-ZCFIWIBFSA-N 1 1 198.295 1.222 10 0 ADAEMO CSC[C@H](C)Nc1nc(N)cc[nH+]1 161665131 344195800 /nfs/dbraw/zinc/19/58/00/344195800.db2.gz RQIIJFKTHJQWSC-LURJTMIESA-N 1 1 198.295 1.222 10 0 ADAEMO CC1CC(Nc2nc(N)cc[nH+]2)C1 161663484 344195866 /nfs/dbraw/zinc/19/58/66/344195866.db2.gz YXNZOSMACHDNEX-UHFFFAOYSA-N 1 1 178.239 1.269 10 0 ADAEMO Nc1cc[nH+]c(NC2CC=CC2)n1 161666065 344195928 /nfs/dbraw/zinc/19/59/28/344195928.db2.gz VVIYHWDNWJAKFX-UHFFFAOYSA-N 1 1 176.223 1.189 10 0 ADAEMO CC1(Nc2nc(N)cc[nH+]2)CCC1 161673938 344196073 /nfs/dbraw/zinc/19/60/73/344196073.db2.gz JTMUKCZQMZRULM-UHFFFAOYSA-N 1 1 178.239 1.413 10 0 ADAEMO CC1(Nc2nc(N)cc[nH+]2)CC1 161673646 344196225 /nfs/dbraw/zinc/19/62/25/344196225.db2.gz SACBPWPYDLUBLD-UHFFFAOYSA-N 1 1 164.212 1.023 10 0 ADAEMO C[C@H]1C[C@H](C)N(c2nc(N)cc[nH+]2)C1 161697358 344196396 /nfs/dbraw/zinc/19/63/96/344196396.db2.gz HZWWHTNHZAUMDU-YUMQZZPRSA-N 1 1 192.266 1.294 10 0 ADAEMO C[C@@H]1C[C@@H](C)N(c2nc(N)cc[nH+]2)C1 161697473 344196424 /nfs/dbraw/zinc/19/64/24/344196424.db2.gz HZWWHTNHZAUMDU-HTQZYQBOSA-N 1 1 192.266 1.294 10 0 ADAEMO C[C@H]1C[C@@H](C)CN1c1nc(N)cc[nH+]1 161697226 344196479 /nfs/dbraw/zinc/19/64/79/344196479.db2.gz HZWWHTNHZAUMDU-SFYZADRCSA-N 1 1 192.266 1.294 10 0 ADAEMO C[C@H]1C[C@@H](C)N(c2nc(N)cc[nH+]2)C1 161697620 344196525 /nfs/dbraw/zinc/19/65/25/344196525.db2.gz HZWWHTNHZAUMDU-JGVFFNPUSA-N 1 1 192.266 1.294 10 0 ADAEMO CC[N@H+]1CC[C@H](Cn2cncc2C)C1 161809039 344197850 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1.131 10 0 ADAEMO Cc1c[nH+]cn1[C@@H](C)C[S@](C)=O 161820742 344198740 /nfs/dbraw/zinc/19/87/40/344198740.db2.gz CWCKNCLZOWIZKD-QPUJVOFHSA-N 1 1 186.280 1.131 10 0 ADAEMO Cc1c[nH+]cn1C[C@@]1(C)CCOC1 161812324 344198780 /nfs/dbraw/zinc/19/87/80/344198780.db2.gz DTJCAHNLEMIETQ-SNVBAGLBSA-N 1 1 180.251 1.618 10 0 ADAEMO Cc1c[nH+]cn1C[C@]1(C)CCOC1 161812207 344198893 /nfs/dbraw/zinc/19/88/93/344198893.db2.gz DTJCAHNLEMIETQ-JTQLQIEISA-N 1 1 180.251 1.618 10 0 ADAEMO Cc1cc(-c2cnc(C[NH3+])o2)co1 161835841 344199140 /nfs/dbraw/zinc/19/91/40/344199140.db2.gz PWEPBCBOYATZQT-UHFFFAOYSA-N 1 1 178.191 1.702 10 0 ADAEMO C[C@@H]1C[C@H](c2cnc(C[NH3+])o2)CO1 161835990 344199187 /nfs/dbraw/zinc/19/91/87/344199187.db2.gz NOTMYHVKUUAYBW-RQJHMYQMSA-N 1 1 182.223 1.026 10 0 ADAEMO C[C@H]1C[C@H](c2cnc(C[NH3+])o2)CO1 161836111 344199259 /nfs/dbraw/zinc/19/92/59/344199259.db2.gz NOTMYHVKUUAYBW-BQBZGAKWSA-N 1 1 182.223 1.026 10 0 ADAEMO C[C@H]1C[C@@H](c2cnc(C[NH3+])o2)CO1 161836388 344199265 /nfs/dbraw/zinc/19/92/65/344199265.db2.gz NOTMYHVKUUAYBW-NKWVEPMBSA-N 1 1 182.223 1.026 10 0 ADAEMO Cc1cc(-c2nnc(C[NH3+])s2)co1 161854701 344199346 /nfs/dbraw/zinc/19/93/46/344199346.db2.gz IJBAALMRPBJGAI-UHFFFAOYSA-N 1 1 195.247 1.565 10 0 ADAEMO C[C@@H]1C[C@@H](c2cnc(C[NH3+])o2)CO1 161836248 344199349 /nfs/dbraw/zinc/19/93/49/344199349.db2.gz NOTMYHVKUUAYBW-RNFRBKRXSA-N 1 1 182.223 1.026 10 0 ADAEMO OCC[C@@H]1CC[N@@H+](CC2CCC2)C1 161950773 344200957 /nfs/dbraw/zinc/20/09/57/344200957.db2.gz MICVNAUNBVDZJP-NSHDSACASA-N 1 1 183.295 1.491 10 0 ADAEMO OCC[C@@H]1CC[N@@H+](CCC2CC2)C1 161952046 344201013 /nfs/dbraw/zinc/20/10/13/344201013.db2.gz KRTFPIHXTJUUBV-NSHDSACASA-N 1 1 183.295 1.491 10 0 ADAEMO OCC[C@H]1CC[N@@H+](CCC2CC2)C1 161951948 344201024 /nfs/dbraw/zinc/20/10/24/344201024.db2.gz KRTFPIHXTJUUBV-LLVKDONJSA-N 1 1 183.295 1.491 10 0 ADAEMO CC[C@@H]([NH3+])c1nc(N2CCCC2)no1 162192189 344204940 /nfs/dbraw/zinc/20/49/40/344204940.db2.gz JTKIEBAYYPQUQT-SSDOTTSWSA-N 1 1 196.254 1.080 10 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344211247 /nfs/dbraw/zinc/21/12/47/344211247.db2.gz RZWJYRXKGLYJMU-UHFFFAOYSA-N 1 1 181.260 1.549 10 0 ADAEMO C[N@H+]1CCc2c(C=O)csc2C1 162622729 344211249 /nfs/dbraw/zinc/21/12/49/344211249.db2.gz RZWJYRXKGLYJMU-UHFFFAOYSA-N 1 1 181.260 1.549 10 0 ADAEMO Cc1cc(C[NH2+][C@@H](C)CN(C)C)on1 162768251 344213744 /nfs/dbraw/zinc/21/37/44/344213744.db2.gz ICAXVFFWRWVFME-VIFPVBQESA-N 1 1 197.282 1.023 10 0 ADAEMO C[C@@H]([N@@H+]1CCC(=O)C1)C(C)(C)C 162811355 344213914 /nfs/dbraw/zinc/21/39/14/344213914.db2.gz JLLNTIMHMPKZIW-MRVPVSSYSA-N 1 1 169.268 1.696 10 0 ADAEMO C[C@@H]([N@H+]1CCC(=O)C1)C(C)(C)C 162811355 344213916 /nfs/dbraw/zinc/21/39/16/344213916.db2.gz JLLNTIMHMPKZIW-MRVPVSSYSA-N 1 1 169.268 1.696 10 0 ADAEMO C[C@H]([N@@H+]1CCC(=O)C1)C(C)(C)C 162811248 344214004 /nfs/dbraw/zinc/21/40/04/344214004.db2.gz JLLNTIMHMPKZIW-QMMMGPOBSA-N 1 1 169.268 1.696 10 0 ADAEMO C[C@H]([N@H+]1CCC(=O)C1)C(C)(C)C 162811248 344214007 /nfs/dbraw/zinc/21/40/07/344214007.db2.gz JLLNTIMHMPKZIW-QMMMGPOBSA-N 1 1 169.268 1.696 10 0 ADAEMO [NH3+][C@@H](c1ccoc1)c1csnn1 162815313 344214445 /nfs/dbraw/zinc/21/44/45/344214445.db2.gz HZWPGRAGFWIORE-ZETCQYMHSA-N 1 1 181.220 1.179 10 0 ADAEMO [NH3+][C@H](c1ccoc1)c1csnn1 162815399 344214610 /nfs/dbraw/zinc/21/46/10/344214610.db2.gz HZWPGRAGFWIORE-SSDOTTSWSA-N 1 1 181.220 1.179 10 0 ADAEMO [NH3+][C@@H](c1ccoc1)c1cnsn1 162832909 344214617 /nfs/dbraw/zinc/21/46/17/344214617.db2.gz LEHWUUCBWRUFAE-ZETCQYMHSA-N 1 1 181.220 1.179 10 0 ADAEMO C[C@H]([N@H+]1CC[C@H](N)C1)C(C)(C)C 162818309 344214683 /nfs/dbraw/zinc/21/46/83/344214683.db2.gz KVZZJCWMZIFTAL-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H](N1CC[C@H]([NH3+])C1)C(C)(C)C 162818309 344214684 /nfs/dbraw/zinc/21/46/84/344214684.db2.gz KVZZJCWMZIFTAL-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]([N@H+]1CC[C@H](N)C1)C(C)(C)C 162818423 344214690 /nfs/dbraw/zinc/21/46/90/344214690.db2.gz KVZZJCWMZIFTAL-BDAKNGLRSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H](N1CC[C@H]([NH3+])C1)C(C)(C)C 162818423 344214692 /nfs/dbraw/zinc/21/46/92/344214692.db2.gz KVZZJCWMZIFTAL-BDAKNGLRSA-N 1 1 170.300 1.454 10 0 ADAEMO [NH3+][C@@H](c1ccnnc1)c1ccco1 162863831 344214918 /nfs/dbraw/zinc/21/49/18/344214918.db2.gz VJKWDGYEIPNKCZ-VIFPVBQESA-N 1 1 175.191 1.118 10 0 ADAEMO [NH3+][C@H](c1ccnnc1)c1ccco1 162863704 344215137 /nfs/dbraw/zinc/21/51/37/344215137.db2.gz VJKWDGYEIPNKCZ-SECBINFHSA-N 1 1 175.191 1.118 10 0 ADAEMO C[NH2+][C@H](c1ccnnc1)c1ccco1 162880068 344215596 /nfs/dbraw/zinc/21/55/96/344215596.db2.gz PXDLATMKJOEQEE-SNVBAGLBSA-N 1 1 189.218 1.378 10 0 ADAEMO C[C@H]1CNCC[N@H+]([C@@H](C)C(C)(C)C)C1 162888745 344215757 /nfs/dbraw/zinc/21/57/57/344215757.db2.gz JASATXYDHXSQPD-QWRGUYRKSA-N 1 1 198.354 1.962 10 0 ADAEMO C[C@H]([N@H+]1CCNC[C@@H](C)C1)C(C)(C)C 162888618 344215854 /nfs/dbraw/zinc/21/58/54/344215854.db2.gz JASATXYDHXSQPD-MNOVXSKESA-N 1 1 198.354 1.962 10 0 ADAEMO OCC[C@H]1CC[N@H+](C2CCCC2)C1 162902053 344215940 /nfs/dbraw/zinc/21/59/40/344215940.db2.gz PEMPIZPFNOZECM-SNVBAGLBSA-N 1 1 183.295 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CSCC[N@H+]1CC[C@H]([C@@H](C)O)C1 163098024 344219405 /nfs/dbraw/zinc/21/94/05/344219405.db2.gz VWDASUBBIUWJJS-BDAKNGLRSA-N 1 1 189.324 1.052 10 0 ADAEMO C[C@H](CN1CC[NH2+]CC1=O)C(C)(C)C 163140659 344219566 /nfs/dbraw/zinc/21/95/66/344219566.db2.gz LJSKSCKQVXGPOT-SECBINFHSA-N 1 1 198.310 1.100 10 0 ADAEMO C[C@H]([NH3+])C(=O)OC1CCC(C)(C)CC1 163225089 344220903 /nfs/dbraw/zinc/22/09/03/344220903.db2.gz BBRXWAGDHUEMQL-QMMMGPOBSA-N 1 1 199.294 1.846 10 0 ADAEMO CC1(C)CCC(OC(=O)C[NH3+])CC1 163226493 344221087 /nfs/dbraw/zinc/22/10/87/344221087.db2.gz OULLYDYQAATRFI-UHFFFAOYSA-N 1 1 185.267 1.457 10 0 ADAEMO CCC(CC)Nc1nc(N)cc[nH+]1 163395207 344223079 /nfs/dbraw/zinc/22/30/79/344223079.db2.gz OUCXZGCZSVXGFI-UHFFFAOYSA-N 1 1 180.255 1.659 10 0 ADAEMO CC(C)[C@H](C)Nc1nc(N)cc[nH+]1 163397377 344223103 /nfs/dbraw/zinc/22/31/03/344223103.db2.gz KUGNVWONPUCPPH-ZETCQYMHSA-N 1 1 180.255 1.515 10 0 ADAEMO CC(C)[C@@H](C)Nc1nc(N)cc[nH+]1 163397253 344223143 /nfs/dbraw/zinc/22/31/43/344223143.db2.gz KUGNVWONPUCPPH-SSDOTTSWSA-N 1 1 180.255 1.515 10 0 ADAEMO CN(c1nc(N)cc[nH+]1)C1CCC1 163411418 344223234 /nfs/dbraw/zinc/22/32/34/344223234.db2.gz FCKFISNXZMFFJF-UHFFFAOYSA-N 1 1 178.239 1.048 10 0 ADAEMO [NH3+][C@H](c1ccsc1)c1cnsn1 163447008 344223537 /nfs/dbraw/zinc/22/35/37/344223537.db2.gz RWUQDNOKCZULKO-SSDOTTSWSA-N 1 1 197.288 1.648 10 0 ADAEMO [NH3+][C@@H](c1ccsc1)c1csnn1 163431094 344223570 /nfs/dbraw/zinc/22/35/70/344223570.db2.gz NIDKWEDNNTWCEZ-ZETCQYMHSA-N 1 1 197.288 1.648 10 0 ADAEMO [NH3+][C@@H](c1ccsc1)c1cnsn1 163446889 344223696 /nfs/dbraw/zinc/22/36/96/344223696.db2.gz RWUQDNOKCZULKO-ZETCQYMHSA-N 1 1 197.288 1.648 10 0 ADAEMO [NH3+][C@H](c1ccsc1)c1csnn1 163431203 344223778 /nfs/dbraw/zinc/22/37/78/344223778.db2.gz NIDKWEDNNTWCEZ-SSDOTTSWSA-N 1 1 197.288 1.648 10 0 ADAEMO CN(C)Cc1cc(F)cc(C(N)=[NH2+])c1 163417849 344223865 /nfs/dbraw/zinc/22/38/65/344223865.db2.gz OUVLMYNYSZEKPN-UHFFFAOYSA-N 1 1 195.241 1.171 10 0 ADAEMO Cc1occc1[C@@H]([NH3+])c1cnccn1 163791807 344230172 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164409027 344244739 /nfs/dbraw/zinc/24/47/39/344244739.db2.gz SNRXWIHYMSWSLL-JGVFFNPUSA-N 1 1 195.266 1.235 10 0 ADAEMO C[C@@H](O)C[C@@H](C)Nc1ccc(N)c[nH+]1 164409142 344244822 /nfs/dbraw/zinc/24/48/22/344244822.db2.gz SNRXWIHYMSWSLL-HTQZYQBOSA-N 1 1 195.266 1.235 10 0 ADAEMO C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 164519711 344246154 /nfs/dbraw/zinc/24/61/54/344246154.db2.gz RDEQYSNKKFKKIH-LLVKDONJSA-N 1 1 192.262 1.555 10 0 ADAEMO C[N@H+]1CCC[C@H](Oc2ccncc2)C1 164519523 344246424 /nfs/dbraw/zinc/24/64/24/344246424.db2.gz RDEQYSNKKFKKIH-NSHDSACASA-N 1 1 192.262 1.555 10 0 ADAEMO C[C@@H](c1cnc(C[NH3+])o1)C1CC1 164564186 344246540 /nfs/dbraw/zinc/24/65/40/344246540.db2.gz BWKOLCIHRKSYFC-ZCFIWIBFSA-N 1 1 166.224 1.647 10 0 ADAEMO C[C@H](c1cnc(C[NH3+])o1)C1CC1 164564294 344246749 /nfs/dbraw/zinc/24/67/49/344246749.db2.gz BWKOLCIHRKSYFC-LURJTMIESA-N 1 1 166.224 1.647 10 0 ADAEMO C[C@H](c1nnc(C[NH3+])s1)C1CC1 164591600 344247335 /nfs/dbraw/zinc/24/73/35/344247335.db2.gz AJRNFLMAQAGXSG-YFKPBYRVSA-N 1 1 183.280 1.510 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@H](O)[C@H](C)C1 164616617 344247949 /nfs/dbraw/zinc/24/79/49/344247949.db2.gz YZDMZRJVROFSED-KOLCDFICSA-N 1 1 185.311 1.878 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@@H](O)[C@H](C)C1 164616742 344248065 /nfs/dbraw/zinc/24/80/65/344248065.db2.gz YZDMZRJVROFSED-MWLCHTKSSA-N 1 1 185.311 1.878 10 0 ADAEMO CSCC[N@H+]1CC[C@H](O)[C@@H](C)C1 164650303 344248535 /nfs/dbraw/zinc/24/85/35/344248535.db2.gz DNBXFUZLGUTROD-IUCAKERBSA-N 1 1 189.324 1.052 10 0 ADAEMO CC[C@@H]1CS[C@@H](c2ccnn2C)[NH2+]1 164768992 344251717 /nfs/dbraw/zinc/25/17/17/344251717.db2.gz XLISKCRQXFXDSE-APPZFPTMSA-N 1 1 197.307 1.534 10 0 ADAEMO C[C@H]1C[NH2+][C@H](c2ccnn2C)S1 164766296 344251730 /nfs/dbraw/zinc/25/17/30/344251730.db2.gz LRNAVROITOORMT-XPUUQOCRSA-N 1 1 183.280 1.144 10 0 ADAEMO CC[C@H]1CS[C@@H](c2ccnn2C)[NH2+]1 164769102 344251741 /nfs/dbraw/zinc/25/17/41/344251741.db2.gz XLISKCRQXFXDSE-CBAPKCEASA-N 1 1 197.307 1.534 10 0 ADAEMO CC[C@@H]1CS[C@H](c2ccnn2C)[NH2+]1 164768739 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197.307 1.627 10 0 ADAEMO CCn1nccc1[C@H]1[NH2+]C[C@@H](C)S1 164939748 344255196 /nfs/dbraw/zinc/25/51/96/344255196.db2.gz JAKMSXZMHCLAHE-APPZFPTMSA-N 1 1 197.307 1.627 10 0 ADAEMO CCn1nccc1[C@@H]1[NH2+][C@@H](C)CS1 164940600 344255283 /nfs/dbraw/zinc/25/52/83/344255283.db2.gz QPNZHJPHQIVHFD-IONNQARKSA-N 1 1 197.307 1.627 10 0 ADAEMO CCn1nccc1[C@H]1[NH2+][C@H](C)CS1 164940477 344255303 /nfs/dbraw/zinc/25/53/03/344255303.db2.gz QPNZHJPHQIVHFD-APPZFPTMSA-N 1 1 197.307 1.627 10 0 ADAEMO CCn1nccc1[C@@H]1[NH2+]C[C@H](C)S1 164939405 344255312 /nfs/dbraw/zinc/25/53/12/344255312.db2.gz JAKMSXZMHCLAHE-IONNQARKSA-N 1 1 197.307 1.627 10 0 ADAEMO C[C@@]1(c2nnc(C[NH3+])o2)CCCS1 164951597 344255508 /nfs/dbraw/zinc/25/55/08/344255508.db2.gz MAJJUMDATZEIAA-QMMMGPOBSA-N 1 1 199.279 1.271 10 0 ADAEMO C[C@]1(c2nnc(C[NH3+])o2)CCCS1 164951507 344255556 /nfs/dbraw/zinc/25/55/56/344255556.db2.gz MAJJUMDATZEIAA-MRVPVSSYSA-N 1 1 199.279 1.271 10 0 ADAEMO [NH3+][C@H](C1=COCCC1)c1cnns1 164986169 344255988 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10 0 ADAEMO C[C@@H]1CCC[N@@H+]1CC1(CN)CCC1 168526672 344332315 /nfs/dbraw/zinc/33/23/15/344332315.db2.gz ABDYSGCXXCLGFA-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@@H]1CCC[N@H+]1CC1(CN)CCC1 168526672 344332316 /nfs/dbraw/zinc/33/23/16/344332316.db2.gz ABDYSGCXXCLGFA-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO CC1(C)CCC[N@H+]1CC1(CN)CCC1 168546523 344332560 /nfs/dbraw/zinc/33/25/60/344332560.db2.gz CWRCKIUPFHOXJX-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO CN1CCC[N@@H+](CC(C)(C)C)CC1 168547463 344332511 /nfs/dbraw/zinc/33/25/11/344332511.db2.gz OVQKFKBGIHGMKA-UHFFFAOYSA-N 1 1 184.327 1.670 10 0 ADAEMO CC(C)(CO)CNc1ccc(N)[nH+]c1 168555299 344332520 /nfs/dbraw/zinc/33/25/20/344332520.db2.gz CITTWJNWXRSOSQ-UHFFFAOYSA-N 1 1 195.266 1.094 10 0 ADAEMO CC1(C)CCC[N@H+]1CC1(C[NH3+])CCC1 168546523 344332558 /nfs/dbraw/zinc/33/25/58/344332558.db2.gz CWRCKIUPFHOXJX-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO CC1(C)CCC[N@@H+]1CC1(CN)CCC1 168546523 344332559 /nfs/dbraw/zinc/33/25/59/344332559.db2.gz CWRCKIUPFHOXJX-UHFFFAOYSA-N 1 1 196.338 1.990 10 0 ADAEMO C[C@H]1CCC[N@@H+]1CC1(CN)CCC1 168526766 344332579 /nfs/dbraw/zinc/33/25/79/344332579.db2.gz ABDYSGCXXCLGFA-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H]1CCC[N@H+]1CC1(CN)CCC1 168526766 344332580 /nfs/dbraw/zinc/33/25/80/344332580.db2.gz ABDYSGCXXCLGFA-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO CC1(C)CC[N@H+](CC2(CN)CCC2)C1 168556624 344333063 /nfs/dbraw/zinc/33/30/63/344333063.db2.gz MYZOHLCYQMLQQF-UHFFFAOYSA-N 1 1 196.338 1.847 10 0 ADAEMO CC1(C)CC[N@@H+](CC2(CN)CCC2)C1 168556624 344333066 /nfs/dbraw/zinc/33/30/66/344333066.db2.gz MYZOHLCYQMLQQF-UHFFFAOYSA-N 1 1 196.338 1.847 10 0 ADAEMO C[C@@H]1CC[N@@H+]1[C@@](C)(CN)C1CC1 168597968 344333474 /nfs/dbraw/zinc/33/34/74/344333474.db2.gz XRHDRADADJRXCC-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[N@H+]1[C@@](C)(CN)C1CC1 168597968 344333476 /nfs/dbraw/zinc/33/34/76/344333476.db2.gz XRHDRADADJRXCC-SCZZXKLOSA-N 1 1 168.284 1.208 10 0 ADAEMO CC1(C)C[NH+]([C@](C)(CN)C2CC2)C1 168595310 344333489 /nfs/dbraw/zinc/33/34/89/344333489.db2.gz TZSSLDPHSPAPCN-LLVKDONJSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1CC[N@@H+]1[C@@](C)(CN)C1CC1 168598062 344333571 /nfs/dbraw/zinc/33/35/71/344333571.db2.gz XRHDRADADJRXCC-WPRPVWTQSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1CC[N@H+]1[C@@](C)(CN)C1CC1 168598062 344333572 /nfs/dbraw/zinc/33/35/72/344333572.db2.gz XRHDRADADJRXCC-WPRPVWTQSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@](CN)(C1CC1)[NH+]1CC2(CCC2)C1 168599491 344333582 /nfs/dbraw/zinc/33/35/82/344333582.db2.gz GPFVOEDKHOCDIM-LLVKDONJSA-N 1 1 194.322 1.600 10 0 ADAEMO CC1(C)C[NH+]([C@@](C)(CN)C2CC2)C1 168595207 344333605 /nfs/dbraw/zinc/33/36/05/344333605.db2.gz TZSSLDPHSPAPCN-NSHDSACASA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@](CN)(C1CC1)[NH+]1CC2(CCC2)C1 168599589 344333618 /nfs/dbraw/zinc/33/36/18/344333618.db2.gz GPFVOEDKHOCDIM-NSHDSACASA-N 1 1 194.322 1.600 10 0 ADAEMO C[C@@](CN)(C1CC1)[NH+]1CC2(CC2)C1 168601655 344333650 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194.278 1.820 10 0 ADAEMO Cn1cc[nH+]c1CC1CCC(=O)CC1 168735086 344335698 /nfs/dbraw/zinc/33/56/98/344335698.db2.gz SAKJXXKGSZVTRS-UHFFFAOYSA-N 1 1 192.262 1.722 10 0 ADAEMO C[C@@H]1CCC[C@@H](C)[NH+]1CC1(CN)CC1 168751948 344335996 /nfs/dbraw/zinc/33/59/96/344335996.db2.gz DZVFIYXZHGEZNX-GHMZBOCLSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CCC[C@H](C)[NH+]1CC1(CN)CC1 168751845 344336026 /nfs/dbraw/zinc/33/60/26/344336026.db2.gz DZVFIYXZHGEZNX-QWRGUYRKSA-N 1 1 196.338 1.988 10 0 ADAEMO NCC1(C[NH+]2CCCCCCC2)CC1 168752609 344336196 /nfs/dbraw/zinc/33/61/96/344336196.db2.gz QXKAHAYAKMSEOP-UHFFFAOYSA-N 1 1 196.338 1.991 10 0 ADAEMO CC(C)[C@](C)(C[NH3+])Nc1nccn1C 168755356 344336403 /nfs/dbraw/zinc/33/64/03/344336403.db2.gz BXMYVFSFSUBJTM-JTQLQIEISA-N 1 1 196.298 1.205 10 0 ADAEMO CC(C)[C@](C)(CN)[NH+]1CC=CC1 168770155 344336411 /nfs/dbraw/zinc/33/64/11/344336411.db2.gz MSCILUZTKJNJJO-JTQLQIEISA-N 1 1 168.284 1.232 10 0 ADAEMO CC(C)[C@@](C)(CN)[NH+]1CC(C)(C)C1 168766496 344336439 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344414407 /nfs/dbraw/zinc/41/44/07/344414407.db2.gz RJPHAJQXUSPVRE-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO CCCC[N@H+]1CC[C@](C)(N)C1 218634295 344414409 /nfs/dbraw/zinc/41/44/09/344414409.db2.gz RJPHAJQXUSPVRE-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO CCCCN1CC[C@](C)([NH3+])C1 218634295 344414410 /nfs/dbraw/zinc/41/44/10/344414410.db2.gz RJPHAJQXUSPVRE-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO COC(=O)[C@@H]1CCC[N@H+](C(C)(C)C)C1 218621633 344414450 /nfs/dbraw/zinc/41/44/50/344414450.db2.gz IOBORSWTVPYHNT-SECBINFHSA-N 1 1 199.294 1.670 10 0 ADAEMO CC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 218634609 344414481 /nfs/dbraw/zinc/41/44/81/344414481.db2.gz LXNZAXFFVAKAKT-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 218634609 344414482 /nfs/dbraw/zinc/41/44/82/344414482.db2.gz LXNZAXFFVAKAKT-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO Cc1nc(C[NH3+])[nH]c1C(C)(C)C 218740436 344415767 /nfs/dbraw/zinc/41/57/67/344415767.db2.gz ZZPGDPYAFGUBSC-UHFFFAOYSA-N 1 1 167.256 1.474 10 0 ADAEMO C[C@]1([NH3+])CC[N@H+](C2CCCC2)C1 218761113 344415809 /nfs/dbraw/zinc/41/58/09/344415809.db2.gz DHKPYMVIKFZHJC-JTQLQIEISA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@]1(N)CC[N@@H+](C2CCCC2)C1 218761113 344415811 /nfs/dbraw/zinc/41/58/11/344415811.db2.gz DHKPYMVIKFZHJC-JTQLQIEISA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@]1(N)CC[N@H+](C2CCCC2)C1 218761113 344415813 /nfs/dbraw/zinc/41/58/13/344415813.db2.gz DHKPYMVIKFZHJC-JTQLQIEISA-N 1 1 168.284 1.352 10 0 ADAEMO CC[C@H](C)[C@@H](C)[N@H+]1CC[C@@H](N)C1 218799353 344416101 /nfs/dbraw/zinc/41/61/01/344416101.db2.gz CILRSPPOCUMSKH-IVZWLZJFSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](N)C1 218799512 344416133 /nfs/dbraw/zinc/41/61/33/344416133.db2.gz CILRSPPOCUMSKH-LPEHRKFASA-N 1 1 170.300 1.454 10 0 ADAEMO C[N@@H+]1CC[C@H](NC/C=C/Cl)C1 218793089 344416350 /nfs/dbraw/zinc/41/63/50/344416350.db2.gz SZTYJRKYINKMJM-KHVHVRLGSA-N 1 1 174.675 1.033 10 0 ADAEMO C[N@H+]1CC[C@H](NC/C=C/Cl)C1 218793089 344416352 /nfs/dbraw/zinc/41/63/52/344416352.db2.gz SZTYJRKYINKMJM-KHVHVRLGSA-N 1 1 174.675 1.033 10 0 ADAEMO Cc1cc(N)c[nH+]c1N1CCC1 218877478 344418060 /nfs/dbraw/zinc/41/80/60/344418060.db2.gz ZAXAJBLKXMBELH-UHFFFAOYSA-N 1 1 163.224 1.182 10 0 ADAEMO C[N@H+]1CC[C@H](c2cccc(N)c2)C1 218935266 344418207 /nfs/dbraw/zinc/41/82/07/344418207.db2.gz GZJGRTGZSUMDCM-JTQLQIEISA-N 1 1 176.263 1.688 10 0 ADAEMO C[N@H+]1CC[C@@H](c2ccc(N)cc2)C1 218935173 344418334 /nfs/dbraw/zinc/41/83/34/344418334.db2.gz FEEPWMBIVNKWJV-SNVBAGLBSA-N 1 1 176.263 1.688 10 0 ADAEMO C[N@H+]1CC[C@@H](c2cccc(N)c2)C1 218935339 344418343 /nfs/dbraw/zinc/41/83/43/344418343.db2.gz GZJGRTGZSUMDCM-SNVBAGLBSA-N 1 1 176.263 1.688 10 0 ADAEMO C[N@H+]1CC[C@H](c2ccc(N)cc2)C1 218935098 344418477 /nfs/dbraw/zinc/41/84/77/344418477.db2.gz FEEPWMBIVNKWJV-JTQLQIEISA-N 1 1 176.263 1.688 10 0 ADAEMO CC(C)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 219033904 344418985 /nfs/dbraw/zinc/41/89/85/344418985.db2.gz DFULEXPIQPFMLU-GHMZBOCLSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@]1([NH3+])CC[N@H+](C2CCCCC2)C1 219038598 344419043 /nfs/dbraw/zinc/41/90/43/344419043.db2.gz OBFYIZDXTOEYBK-NSHDSACASA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@]1(N)CC[N@@H+](C2CCCCC2)C1 219038598 344419044 /nfs/dbraw/zinc/41/90/44/344419044.db2.gz OBFYIZDXTOEYBK-NSHDSACASA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@]1(N)CC[N@H+](C2CCCCC2)C1 219038598 344419046 /nfs/dbraw/zinc/41/90/46/344419046.db2.gz OBFYIZDXTOEYBK-NSHDSACASA-N 1 1 182.311 1.742 10 0 ADAEMO CC(C)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 219033980 344419081 /nfs/dbraw/zinc/41/90/81/344419081.db2.gz DFULEXPIQPFMLU-MNOVXSKESA-N 1 1 182.311 1.326 10 0 ADAEMO FCCNc1[nH]c2ccccc2[nH+]1 219028687 344419171 /nfs/dbraw/zinc/41/91/71/344419171.db2.gz CKPIGMYGNJLGOJ-UHFFFAOYSA-N 1 1 179.198 1.944 10 0 ADAEMO C[C@@]1(N)CC[N@H+](C2CCCCC2)C1 219038677 344419287 /nfs/dbraw/zinc/41/92/87/344419287.db2.gz OBFYIZDXTOEYBK-LLVKDONJSA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@@]1([NH3+])CC[N@H+](C2CCCCC2)C1 219038677 344419282 /nfs/dbraw/zinc/41/92/82/344419282.db2.gz OBFYIZDXTOEYBK-LLVKDONJSA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@@]1(N)CC[N@@H+](C2CCCCC2)C1 219038677 344419286 /nfs/dbraw/zinc/41/92/86/344419286.db2.gz OBFYIZDXTOEYBK-LLVKDONJSA-N 1 1 182.311 1.742 10 0 ADAEMO CN(C)[C@@](C)(C[NH3+])C1CCC1 219237596 344421291 /nfs/dbraw/zinc/42/12/91/344421291.db2.gz JPVZUIUJVJGODN-VIFPVBQESA-N 1 1 156.273 1.066 10 0 ADAEMO CC(C)[C@](C)(CN)[NH+]1CCC1 219237128 344421370 /nfs/dbraw/zinc/42/13/70/344421370.db2.gz DNCDEPWGVZTPDR-VIFPVBQESA-N 1 1 156.273 1.066 10 0 ADAEMO CN(C)[C@](C)(C[NH3+])C1CCC1 219237545 344421442 /nfs/dbraw/zinc/42/14/42/344421442.db2.gz JPVZUIUJVJGODN-SECBINFHSA-N 1 1 156.273 1.066 10 0 ADAEMO CC(C)[C@@](C)(CN)[NH+]1CCC1 219237059 344421445 /nfs/dbraw/zinc/42/14/45/344421445.db2.gz DNCDEPWGVZTPDR-SECBINFHSA-N 1 1 156.273 1.066 10 0 ADAEMO CC(C)[C@@](C)(C[NH3+])N1CCC1 219237059 344421447 /nfs/dbraw/zinc/42/14/47/344421447.db2.gz DNCDEPWGVZTPDR-SECBINFHSA-N 1 1 156.273 1.066 10 0 ADAEMO CC1(C[N@H+]2CC[C@H](CO)C2)CCC1 219372170 344423002 /nfs/dbraw/zinc/42/30/02/344423002.db2.gz PQMQRGOTFYLEHC-JTQLQIEISA-N 1 1 183.295 1.491 10 0 ADAEMO C[N@H+]1CCC[C@@H](C(F)F)CC1 219509879 344424483 /nfs/dbraw/zinc/42/44/83/344424483.db2.gz PLQDRIOLFJALNL-SSDOTTSWSA-N 1 1 163.211 1.983 10 0 ADAEMO C[N@H+]1CCCC[C@@H](C(F)F)C1 219510998 344424503 /nfs/dbraw/zinc/42/45/03/344424503.db2.gz AJECUDGXUOTGTE-SSDOTTSWSA-N 1 1 163.211 1.983 10 0 ADAEMO CC[C@H](C)N1CC[NH2+]C[C@@H](C)C1 219598731 344425519 /nfs/dbraw/zinc/42/55/19/344425519.db2.gz ZCGGWUZRTUJFGC-ZJUUUORDSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@H](C)[C@H](C)[N@H+]1CCNC[C@@H](C)C1 219603598 344425537 /nfs/dbraw/zinc/42/55/37/344425537.db2.gz BLYGHJHKQUCNSB-WOPDTQHZSA-N 1 1 198.354 1.962 10 0 ADAEMO C[C@@H]1CNCC[N@H+]([C@H](C)C2CC2)C1 219601057 344425604 /nfs/dbraw/zinc/42/56/04/344425604.db2.gz KYMJCGLCVCZEHH-NXEZZACHSA-N 1 1 182.311 1.326 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CCNC[C@@H](C)C1 219596515 344425625 /nfs/dbraw/zinc/42/56/25/344425625.db2.gz GBTHFTLIPFKVTG-GHMZBOCLSA-N 1 1 184.327 1.572 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CCN[C@@H](C)CC1 219596610 344425655 /nfs/dbraw/zinc/42/56/55/344425655.db2.gz JBZPSYQRUAMKMM-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[C@@H](C)[N@H+]1CCNC[C@@H](C)C1 219600847 344425685 /nfs/dbraw/zinc/42/56/85/344425685.db2.gz MXGKTOAVFWIKTM-VXGBXAGGSA-N 1 1 198.354 1.962 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCNC[C@@H](C)C1 219598657 344425714 /nfs/dbraw/zinc/42/57/14/344425714.db2.gz ZCGGWUZRTUJFGC-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@@H](C)N1CC[NH2+]C[C@@H](C)C1 219598657 344425715 /nfs/dbraw/zinc/42/57/15/344425715.db2.gz ZCGGWUZRTUJFGC-NXEZZACHSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCNC[C@@H](C)C1 219603457 344425764 /nfs/dbraw/zinc/42/57/64/344425764.db2.gz BLYGHJHKQUCNSB-GRYCIOLGSA-N 1 1 198.354 1.962 10 0 ADAEMO C[C@H]1CC[N@@H+]([C@H](C)C2CC2)CCN1 219601140 344425792 /nfs/dbraw/zinc/42/57/92/344425792.db2.gz JDFYHHUWUXLINY-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CCN([C@H](C)C2CC2)CC[NH2+]1 219601140 344425793 /nfs/dbraw/zinc/42/57/93/344425793.db2.gz JDFYHHUWUXLINY-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@@](C)(CN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219637233 344426111 /nfs/dbraw/zinc/42/61/11/344426111.db2.gz HZDLDBKNLPQHAL-GRYCIOLGSA-N 1 1 198.354 1.948 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H](CN)C2CC2)C[C@@H]1C 219612963 344426151 /nfs/dbraw/zinc/42/61/51/344426151.db2.gz PBWHCOHPEXVLPE-WCABBAIRSA-N 1 1 182.311 1.312 10 0 ADAEMO CC(C)[C@@H](CN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219637536 344426207 /nfs/dbraw/zinc/42/62/07/344426207.db2.gz CBYLUTPOFZEWDP-OUAUKWLOSA-N 1 1 184.327 1.558 10 0 ADAEMO CC[C@H](N)C[NH+]1C[C@H](C)[C@@H](C)C1 219675602 344426717 /nfs/dbraw/zinc/42/67/17/344426717.db2.gz MBPCFYJRXQXESM-GUBZILKMSA-N 1 1 170.300 1.312 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H](C)C(N)=S)C[C@@H]1C 219682098 344426869 /nfs/dbraw/zinc/42/68/69/344426869.db2.gz TUZJZWHMSRCITN-GJMOJQLCSA-N 1 1 186.324 1.249 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H](C)[C@H](C)N)C[C@@H]1C 219674706 344426888 /nfs/dbraw/zinc/42/68/88/344426888.db2.gz OJINWZZHDRQMRG-QCLAVDOMSA-N 1 1 170.300 1.310 10 0 ADAEMO C[C@H](O)C[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219715083 344426925 /nfs/dbraw/zinc/42/69/25/344426925.db2.gz MIIKEKAILOCYSW-YTWAJWBKSA-N 1 1 185.311 1.734 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H]2CCCC2=O)C[C@@H]1C 219698849 344426980 /nfs/dbraw/zinc/42/69/80/344426980.db2.gz XGRMTENAEKZYJM-AEJSXWLSSA-N 1 1 181.279 1.696 10 0 ADAEMO C[C@H](O)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 219708042 344426993 /nfs/dbraw/zinc/42/69/93/344426993.db2.gz HZQDGGDSWQQLRQ-AEJSXWLSSA-N 1 1 171.284 1.345 10 0 ADAEMO C[C@H](N)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219674773 344427024 /nfs/dbraw/zinc/42/70/24/344427024.db2.gz OJINWZZHDRQMRG-JXUBOQSCSA-N 1 1 170.300 1.310 10 0 ADAEMO CC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219698315 344427037 /nfs/dbraw/zinc/42/70/37/344427037.db2.gz CVZFXODDTUBQBO-HRDYMLBCSA-N 1 1 169.268 1.552 10 0 ADAEMO C[C@H](O)C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219715156 344427045 /nfs/dbraw/zinc/42/70/45/344427045.db2.gz MIIKEKAILOCYSW-VLEAKVRGSA-N 1 1 185.311 1.734 10 0 ADAEMO C[NH2+][C@@H](C)CN1C[C@H](C)[C@@H](C)C1 219662320 344427053 /nfs/dbraw/zinc/42/70/53/344427053.db2.gz JFHWBZPCTQODTI-GUBZILKMSA-N 1 1 170.300 1.182 10 0 ADAEMO C[NH2+][C@@H](C)CN1C[C@@H](C)[C@@H](C)C1 219662239 344427085 /nfs/dbraw/zinc/42/70/85/344427085.db2.gz JFHWBZPCTQODTI-AEJSXWLSSA-N 1 1 170.300 1.182 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H]2CCCNC2)C[C@@H]1C 219683337 344427105 /nfs/dbraw/zinc/42/71/05/344427105.db2.gz JIAQNBRJHVHORG-AXFHLTTASA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H]2CCCNC2)C[C@@H]1C 219683337 344427106 /nfs/dbraw/zinc/42/71/06/344427106.db2.gz JIAQNBRJHVHORG-AXFHLTTASA-N 1 1 182.311 1.326 10 0 ADAEMO CN[C@H](C)[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 219650123 344427133 /nfs/dbraw/zinc/42/71/33/344427133.db2.gz NAWQLDAXCCIZJL-LMLFDSFASA-N 1 1 184.327 1.571 10 0 ADAEMO CN[C@H](C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219650123 344427135 /nfs/dbraw/zinc/42/71/35/344427135.db2.gz NAWQLDAXCCIZJL-LMLFDSFASA-N 1 1 184.327 1.571 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 219737472 344427397 /nfs/dbraw/zinc/42/73/97/344427397.db2.gz FBFKMPVOVAYRRS-VHSXEESVSA-N 1 1 183.295 1.942 10 0 ADAEMO C[NH2+][C@@H]1CCN(C2CC2)C[C@@H]1C 219776421 344427412 /nfs/dbraw/zinc/42/74/12/344427412.db2.gz HJCQOQHMGIINHQ-WCBMZHEXSA-N 1 1 168.284 1.079 10 0 ADAEMO CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 219763631 344427508 /nfs/dbraw/zinc/42/75/08/344427508.db2.gz GMTKPDVETRGGPM-JTQLQIEISA-N 1 1 196.294 1.139 10 0 ADAEMO CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 219763704 344427576 /nfs/dbraw/zinc/42/75/76/344427576.db2.gz GMTKPDVETRGGPM-SNVBAGLBSA-N 1 1 196.294 1.139 10 0 ADAEMO C[C@H]1C[N@@H+]([C@H](C)C2CC2)CCC1=O 219738253 344427766 /nfs/dbraw/zinc/42/77/66/344427766.db2.gz LIPLKEJIKOUMOZ-DTWKUNHWSA-N 1 1 181.279 1.696 10 0 ADAEMO COC[C@@H](C)[N@@H+]1CCC(=O)C[C@@H]1C 219759383 344427807 /nfs/dbraw/zinc/42/78/07/344427807.db2.gz IJGAGVHYQUMSOQ-DTWKUNHWSA-N 1 1 185.267 1.075 10 0 ADAEMO COC[C@@H](C)[N@H+]1CCC(=O)C[C@@H]1C 219759383 344427809 /nfs/dbraw/zinc/42/78/09/344427809.db2.gz IJGAGVHYQUMSOQ-DTWKUNHWSA-N 1 1 185.267 1.075 10 0 ADAEMO C[NH2+][C@@H]1CC[N@H+]([C@@H](C)C(C)C)C[C@@H]1C 219794950 344428233 /nfs/dbraw/zinc/42/82/33/344428233.db2.gz TWBJISYWKAXJSW-SDDRHHMPSA-N 1 1 198.354 1.961 10 0 ADAEMO CC[N@H+]1CCOC[C@H]1C(C)(C)C 219813307 344428244 /nfs/dbraw/zinc/42/82/44/344428244.db2.gz KRBKITGLTVNFOG-VIFPVBQESA-N 1 1 171.284 1.753 10 0 ADAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@H](C)C1CC1 219804063 344428308 /nfs/dbraw/zinc/42/83/08/344428308.db2.gz HSOJYZUTVFFEAK-DTWKUNHWSA-N 1 1 181.279 1.838 10 0 ADAEMO C[NH2+][C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1C 219797954 344428344 /nfs/dbraw/zinc/42/83/44/344428344.db2.gz UOPYDJYSQJFTQP-CMPLNLGQSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H]1C[N@@H+](CC(C)(C)[C@H](C)O)C[C@@H]1C 219780966 344428366 /nfs/dbraw/zinc/42/83/66/344428366.db2.gz BSWKBTBFOVVSLR-AXFHLTTASA-N 1 1 199.338 1.981 10 0 ADAEMO C[NH2+]C[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219788288 344428393 /nfs/dbraw/zinc/42/83/93/344428393.db2.gz XOHMQIDNISMPMM-KXUCPTDWSA-N 1 1 170.300 1.182 10 0 ADAEMO C[NH2+]C[C@@H](C)N1C[C@@H](C)[C@@H](C)C1 219788288 344428394 /nfs/dbraw/zinc/42/83/94/344428394.db2.gz XOHMQIDNISMPMM-KXUCPTDWSA-N 1 1 170.300 1.182 10 0 ADAEMO CC[N@H+]1CCOC[C@@H]1C(C)(C)C 219813244 344428440 /nfs/dbraw/zinc/42/84/40/344428440.db2.gz KRBKITGLTVNFOG-SECBINFHSA-N 1 1 171.284 1.753 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219794883 344428454 /nfs/dbraw/zinc/42/84/54/344428454.db2.gz XMKPZYDZYKGJHW-GARJFASQSA-N 1 1 184.327 1.700 10 0 ADAEMO CC(C)[C@H](N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 219843528 344428797 /nfs/dbraw/zinc/42/87/97/344428797.db2.gz SXJBJZLSICVHDK-OUAUKWLOSA-N 1 1 184.327 1.558 10 0 ADAEMO CC[N@H+](C(C)C)[C@H]1CC[C@@H](C)NC1 219953158 344429400 /nfs/dbraw/zinc/42/94/00/344429400.db2.gz PJKVQOSBZNQNAM-MNOVXSKESA-N 1 1 184.327 1.857 10 0 ADAEMO CC[N@@H+](C(C)C)[C@H]1CC[C@@H](C)NC1 219953158 344429403 /nfs/dbraw/zinc/42/94/03/344429403.db2.gz PJKVQOSBZNQNAM-MNOVXSKESA-N 1 1 184.327 1.857 10 0 ADAEMO CC[N@H+](C(C)C)[C@@H]1CC[C@@H](C)NC1 219953092 344429557 /nfs/dbraw/zinc/42/95/57/344429557.db2.gz PJKVQOSBZNQNAM-GHMZBOCLSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[N@@H+](C(C)C)[C@@H]1CC[C@@H](C)NC1 219953092 344429558 /nfs/dbraw/zinc/42/95/58/344429558.db2.gz PJKVQOSBZNQNAM-GHMZBOCLSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](C)NC1 219954075 344429805 /nfs/dbraw/zinc/42/98/05/344429805.db2.gz OAULFCLWOAYIJL-OUAUKWLOSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C)NC1 219954075 344429806 /nfs/dbraw/zinc/42/98/06/344429806.db2.gz OAULFCLWOAYIJL-OUAUKWLOSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@@H]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C1 219957130 344430007 /nfs/dbraw/zinc/43/00/07/344430007.db2.gz YLLAKCSMWLWGRQ-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO 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C[C@H](C1CCC1)[N@H+]1CCC[C@@H](N)C1 221094412 344437770 /nfs/dbraw/zinc/43/77/70/344437770.db2.gz LUTNVLXIRPMZFG-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H](C1CCC1)N1CCC[C@@H]([NH3+])C1 221094358 344437876 /nfs/dbraw/zinc/43/78/76/344437876.db2.gz LUTNVLXIRPMZFG-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCC[N@H+]1C1CCOCC1 221135864 344437921 /nfs/dbraw/zinc/43/79/21/344437921.db2.gz SOCNTFNRDFLVIC-SECBINFHSA-N 1 1 169.268 1.650 10 0 ADAEMO C[C@H]1CCC[N@H+]1C1CCOCC1 221135924 344437941 /nfs/dbraw/zinc/43/79/41/344437941.db2.gz SOCNTFNRDFLVIC-VIFPVBQESA-N 1 1 169.268 1.650 10 0 ADAEMO C[C@@H](C1CCC1)[N@H+]1CC[C@@H](N)C1 221082847 344438010 /nfs/dbraw/zinc/43/80/10/344438010.db2.gz XXIRCICAVHKTCI-WCBMZHEXSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[N@@H+]([C@H](C)C2CCC2)CCCN1 221098833 344438052 /nfs/dbraw/zinc/43/80/52/344438052.db2.gz MDCXDTVRHMEENX-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H](C1CCC1)[N@H+]1CC[C@@H](N)C1 221082912 344438179 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CC[C@H](C)[C@]1(O)C[C@@H](C)[N@@H+](C)C1 226162276 344493163 /nfs/dbraw/zinc/49/31/63/344493163.db2.gz DIPCPFKFANCINJ-AEJSXWLSSA-N 1 1 171.284 1.488 10 0 ADAEMO C[C@H]1C[C@H](C)CC[C@@H]1N1CC[NH2+]CC1 226185532 344494401 /nfs/dbraw/zinc/49/44/01/344494401.db2.gz DCARWBYAYGIYEN-WOPDTQHZSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@H]1C[C@H](C)CC[C@H]1N1CC[NH2+]CC1 226185520 344494602 /nfs/dbraw/zinc/49/46/02/344494602.db2.gz DCARWBYAYGIYEN-GRYCIOLGSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1O 226240177 344495849 /nfs/dbraw/zinc/49/58/49/344495849.db2.gz KRDBBOLPQZDIRW-GHMZBOCLSA-N 1 1 183.295 1.774 10 0 ADAEMO C[N@@H+]([C@H]1CCOC1)[C@H]1CCCC[C@@H]1O 226251542 344495904 /nfs/dbraw/zinc/49/59/04/344495904.db2.gz IWBJXXRTVWZINJ-DCAQKATOSA-N 1 1 199.294 1.011 10 0 ADAEMO C[N@@H+]([C@@H]1CCOC1)[C@@H]1CCCC[C@H]1O 226251564 344495920 /nfs/dbraw/zinc/49/59/20/344495920.db2.gz IWBJXXRTVWZINJ-GMTAPVOTSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@H]1C[C@@H]1C[N@@H+](C)[C@H]1CCCC[C@@H]1O 226248165 344495929 /nfs/dbraw/zinc/49/59/29/344495929.db2.gz NBUHJRWSAZVHJK-USZNOCQGSA-N 1 1 197.322 1.878 10 0 ADAEMO C[C@@H]1COCC[N@H+]1[C@H]1CCCC[C@@H]1O 226240369 344495936 /nfs/dbraw/zinc/49/59/36/344495936.db2.gz IXFDZEKPAFCYFM-VWYCJHECSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H]1CCCC[C@@H]1O 226248155 344495944 /nfs/dbraw/zinc/49/59/44/344495944.db2.gz NBUHJRWSAZVHJK-WYUUTHIRSA-N 1 1 197.322 1.878 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1O 226240193 344495988 /nfs/dbraw/zinc/49/59/88/344495988.db2.gz TXAQSGHEKCSJJH-NXEZZACHSA-N 1 1 169.268 1.384 10 0 ADAEMO C[C@H]1COCC[N@H+]1[C@@H]1CCCC[C@H]1O 226240402 344496015 /nfs/dbraw/zinc/49/60/15/344496015.db2.gz IXFDZEKPAFCYFM-HBNTYKKESA-N 1 1 199.294 1.011 10 0 ADAEMO C[N@@H+]([C@H]1CCOC1)[C@@H]1CCCC[C@H]1O 226251576 344496104 /nfs/dbraw/zinc/49/61/04/344496104.db2.gz IWBJXXRTVWZINJ-HBNTYKKESA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1COCC[N@H+]1[C@@H]1CCCC[C@H]1O 226240395 344496158 /nfs/dbraw/zinc/49/61/58/344496158.db2.gz IXFDZEKPAFCYFM-GMTAPVOTSA-N 1 1 199.294 1.011 10 0 ADAEMO C[N@@H+](C1CCC1)[C@@H]1CCCC[C@H]1O 226253213 344496181 /nfs/dbraw/zinc/49/61/81/344496181.db2.gz XSTXMMWEQQIYHF-GHMZBOCLSA-N 1 1 183.295 1.774 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1CCCC[C@@H]1O 226248171 344496227 /nfs/dbraw/zinc/49/62/27/344496227.db2.gz NBUHJRWSAZVHJK-RHYQMDGZSA-N 1 1 197.322 1.878 10 0 ADAEMO C[N@H+]([C@H]1CCCC[C@@H]1O)[C@@H]1CCOC1 226251531 344496240 /nfs/dbraw/zinc/49/62/40/344496240.db2.gz IWBJXXRTVWZINJ-VWYCJHECSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H](C1CC1)[N@@H+](C)[C@H]1CCC[C@@H]1O 226277968 344497275 /nfs/dbraw/zinc/49/72/75/344497275.db2.gz RXAPFVFAACJTFI-LSJOCFKGSA-N 1 1 183.295 1.630 10 0 ADAEMO CC[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2O)CCO1 226277867 344497283 /nfs/dbraw/zinc/49/72/83/344497283.db2.gz ZNVYXRJCNLQLCI-GMTAPVOTSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@H]1CC[N@@H+]1C[C@@H](N)c1ccccc1 226274646 344497337 /nfs/dbraw/zinc/49/73/37/344497337.db2.gz SYNTVWMAQHLEHZ-CMPLNLGQSA-N 1 1 190.290 1.781 10 0 ADAEMO C[C@H]1CC[N@H+]1C[C@@H](N)c1ccccc1 226274646 344497340 /nfs/dbraw/zinc/49/73/40/344497340.db2.gz SYNTVWMAQHLEHZ-CMPLNLGQSA-N 1 1 190.290 1.781 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C1 226279430 344497352 /nfs/dbraw/zinc/49/73/52/344497352.db2.gz IMZPEBCAFIHELA-OPRDCNLKSA-N 1 1 169.268 1.242 10 0 ADAEMO CC1(C)C[N@H+]([C@@H]2CCC[C@H]2O)CCO1 226278624 344497372 /nfs/dbraw/zinc/49/73/72/344497372.db2.gz KOMZBNJWNIMXJU-NXEZZACHSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 226276923 344497378 /nfs/dbraw/zinc/49/73/78/344497378.db2.gz PGEYTOHRHHXSDD-HBNTYKKESA-N 1 1 183.295 1.632 10 0 ADAEMO CC[C@H]1C[N@H+]([C@@H]2CCC[C@H]2O)CCO1 226277874 344497477 /nfs/dbraw/zinc/49/74/77/344497477.db2.gz ZNVYXRJCNLQLCI-HBNTYKKESA-N 1 1 199.294 1.011 10 0 ADAEMO C[N@@H+](Cc1ccoc1)[C@@H]1CCC[C@H]1O 226279836 344497504 /nfs/dbraw/zinc/49/75/04/344497504.db2.gz QTAXYMHLNFLAMA-GHMZBOCLSA-N 1 1 195.262 1.625 10 0 ADAEMO CC(C)[C@@H](CN)[N@H+]1CC[C@@H]1C 226277029 344497509 /nfs/dbraw/zinc/49/75/09/344497509.db2.gz AJIXUHWNPDUBMF-DTWKUNHWSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@@H](C[NH3+])N1CC[C@@H]1C 226277029 344497513 /nfs/dbraw/zinc/49/75/13/344497513.db2.gz AJIXUHWNPDUBMF-DTWKUNHWSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H]2O)C1 226276898 344497531 /nfs/dbraw/zinc/49/75/31/344497531.db2.gz PGEYTOHRHHXSDD-VWYCJHECSA-N 1 1 183.295 1.632 10 0 ADAEMO C[C@H]1CCC[N@H+]([C@H]2CCC[C@@H]2O)C1 226276904 344497587 /nfs/dbraw/zinc/49/75/87/344497587.db2.gz PGEYTOHRHHXSDD-DCAQKATOSA-N 1 1 183.295 1.632 10 0 ADAEMO CC[N@@H+](C(C)C)[C@@H]1CCC[C@H]1O 226277421 344497599 /nfs/dbraw/zinc/49/75/99/344497599.db2.gz ZACISQMWDYGRRA-NXEZZACHSA-N 1 1 171.284 1.630 10 0 ADAEMO C[C@H](C1CC1)[N@@H+](C)[C@H]1CCC[C@@H]1O 226277976 344497616 /nfs/dbraw/zinc/49/76/16/344497616.db2.gz RXAPFVFAACJTFI-MIMYLULJSA-N 1 1 183.295 1.630 10 0 ADAEMO C[C@@H]1CC[N@@H+]1C[C@@H](N)c1ccccc1 226274634 344497631 /nfs/dbraw/zinc/49/76/31/344497631.db2.gz SYNTVWMAQHLEHZ-ZYHUDNBSSA-N 1 1 190.290 1.781 10 0 ADAEMO C[C@@H]1CC[N@H+]1C[C@@H](N)c1ccccc1 226274634 344497632 /nfs/dbraw/zinc/49/76/32/344497632.db2.gz SYNTVWMAQHLEHZ-ZYHUDNBSSA-N 1 1 190.290 1.781 10 0 ADAEMO C[C@H]1CC[N@H+]([C@H]2CCC[C@@H]2O)C1 226279422 344497640 /nfs/dbraw/zinc/49/76/40/344497640.db2.gz IMZPEBCAFIHELA-GUBZILKMSA-N 1 1 169.268 1.242 10 0 ADAEMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]1O 226277674 344497651 /nfs/dbraw/zinc/49/76/51/344497651.db2.gz WORVKDQWGHFRGI-GHMZBOCLSA-N 1 1 195.262 1.625 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C1 226279434 344497656 /nfs/dbraw/zinc/49/76/56/344497656.db2.gz IMZPEBCAFIHELA-IVZWLZJFSA-N 1 1 169.268 1.242 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 226276914 344497659 /nfs/dbraw/zinc/49/76/59/344497659.db2.gz PGEYTOHRHHXSDD-GMTAPVOTSA-N 1 1 183.295 1.632 10 0 ADAEMO CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 226297266 344497841 /nfs/dbraw/zinc/49/78/41/344497841.db2.gz NYSCOXZPIXIVIL-VWYCJHECSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[C@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 226297266 344497843 /nfs/dbraw/zinc/49/78/43/344497843.db2.gz NYSCOXZPIXIVIL-VWYCJHECSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CCC[C@@H]1O 226291429 344497857 /nfs/dbraw/zinc/49/78/57/344497857.db2.gz XVMGVRLIMIMANV-RCWTZXSCSA-N 1 1 183.295 1.630 10 0 ADAEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)[C@@H]1CCC[C@H]1O 226289838 344497875 /nfs/dbraw/zinc/49/78/75/344497875.db2.gz JZBHVYHJLYUAOH-UKKRHICBSA-N 1 1 199.294 1.009 10 0 ADAEMO CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](N)C1 226298326 344497889 /nfs/dbraw/zinc/49/78/89/344497889.db2.gz DBNCKOCXXGEULD-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@H](C)CN1CC[C@@H](C)[C@@H]([NH3+])C1 226298326 344497891 /nfs/dbraw/zinc/49/78/91/344497891.db2.gz DBNCKOCXXGEULD-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CCCN1CC[C@@H](C)[C@@H]([NH3+])C1 226297052 344497929 /nfs/dbraw/zinc/49/79/29/344497929.db2.gz SRONFJIUDMTGPX-BDAKNGLRSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@H]1OCC[C@H]1[N@@H+](C)[C@@H]1CCC[C@H]1O 226289864 344497951 /nfs/dbraw/zinc/49/79/51/344497951.db2.gz JZBHVYHJLYUAOH-GWOFURMSSA-N 1 1 199.294 1.009 10 0 ADAEMO CCCCN1CC[C@@H](C)[C@@H]([NH3+])C1 226298620 344497973 /nfs/dbraw/zinc/49/79/73/344497973.db2.gz HSXBNDQILUNSAQ-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 226298620 344497974 /nfs/dbraw/zinc/49/79/74/344497974.db2.gz HSXBNDQILUNSAQ-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 226298620 344497976 /nfs/dbraw/zinc/49/79/76/344497976.db2.gz HSXBNDQILUNSAQ-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 226299536 344497982 /nfs/dbraw/zinc/49/79/82/344497982.db2.gz LNZLNLVTZOUWQQ-MXWKQRLJSA-N 1 1 184.327 1.700 10 0 ADAEMO CC(C)[C@@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 226299536 344497983 /nfs/dbraw/zinc/49/79/83/344497983.db2.gz LNZLNLVTZOUWQQ-MXWKQRLJSA-N 1 1 184.327 1.700 10 0 ADAEMO CCCN1CC[C@H](C)[C@@H]([NH3+])C1 226297060 344497991 /nfs/dbraw/zinc/49/79/91/344497991.db2.gz SRONFJIUDMTGPX-IUCAKERBSA-N 1 1 156.273 1.066 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@H](C)[C@@H](N)C1 226296981 344497998 /nfs/dbraw/zinc/49/79/98/344497998.db2.gz NMERVZMPAONJQW-ONGXEEELSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC(CC)N1CC[C@H](C)[C@@H]([NH3+])C1 226296981 344497999 /nfs/dbraw/zinc/49/79/99/344497999.db2.gz NMERVZMPAONJQW-ONGXEEELSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C1 226290960 344498035 /nfs/dbraw/zinc/49/80/35/344498035.db2.gz YCWMFNUTQWUIEN-HBNTYKKESA-N 1 1 183.295 1.632 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C[C@@H]1N 226296178 344498057 /nfs/dbraw/zinc/49/80/57/344498057.db2.gz HGHMSVTXVHVYBS-KKZNHRDASA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]1CCN([C@H](C)C2CC2)C[C@@H]1[NH3+] 226296178 344498059 /nfs/dbraw/zinc/49/80/59/344498059.db2.gz HGHMSVTXVHVYBS-KKZNHRDASA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H]1C[C@H](C)[N@H+]([C@H]2CCC[C@@H]2O)C1 226291436 344498079 /nfs/dbraw/zinc/49/80/79/344498079.db2.gz XVMGVRLIMIMANV-NAKRPEOUSA-N 1 1 183.295 1.630 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 226298302 344498107 /nfs/dbraw/zinc/49/81/07/344498107.db2.gz JVAILHACGLTNCS-UTLUCORTSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 226298302 344498108 /nfs/dbraw/zinc/49/81/08/344498108.db2.gz JVAILHACGLTNCS-UTLUCORTSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]1OCC[C@H]1[N@@H+](C)[C@@H]1CCC[C@H]1O 226289855 344498115 /nfs/dbraw/zinc/49/81/15/344498115.db2.gz JZBHVYHJLYUAOH-LNFKQOIKSA-N 1 1 199.294 1.009 10 0 ADAEMO C[C@@H]1C[C@@H](C)[N@H+]([C@H]2CCC[C@@H]2O)C1 226291417 344498119 /nfs/dbraw/zinc/49/81/19/344498119.db2.gz XVMGVRLIMIMANV-ZNSHCXBVSA-N 1 1 183.295 1.630 10 0 ADAEMO C[C@H]1OCC[C@@H]1[N@@H+](C)[C@@H]1CCC[C@H]1O 226289844 344498130 /nfs/dbraw/zinc/49/81/30/344498130.db2.gz JZBHVYHJLYUAOH-LMLFDSFASA-N 1 1 199.294 1.009 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 226298293 344498146 /nfs/dbraw/zinc/49/81/46/344498146.db2.gz JVAILHACGLTNCS-BBBLOLIVSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 226298293 344498149 /nfs/dbraw/zinc/49/81/49/344498149.db2.gz JVAILHACGLTNCS-BBBLOLIVSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1C 226288570 344498163 /nfs/dbraw/zinc/49/81/63/344498163.db2.gz PNQSNINMRSSDFC-LMLFDSFASA-N 1 1 183.295 1.488 10 0 ADAEMO CCCCN1CC[C@H](C)[C@@H]([NH3+])C1 226298627 344498174 /nfs/dbraw/zinc/49/81/74/344498174.db2.gz HSXBNDQILUNSAQ-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC[N@@H+]1CC[C@H](C)[C@@H](N)C1 226298627 344498175 /nfs/dbraw/zinc/49/81/75/344498175.db2.gz HSXBNDQILUNSAQ-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCC[N@H+]1CC[C@H](C)[C@@H](N)C1 226298627 344498177 /nfs/dbraw/zinc/49/81/77/344498177.db2.gz HSXBNDQILUNSAQ-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@@H](C)[C@@H](N)C1 226296975 344498219 /nfs/dbraw/zinc/49/82/19/344498219.db2.gz NMERVZMPAONJQW-KOLCDFICSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC(CC)N1CC[C@@H](C)[C@@H]([NH3+])C1 226296975 344498220 /nfs/dbraw/zinc/49/82/20/344498220.db2.gz NMERVZMPAONJQW-KOLCDFICSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]([C@H]2CCC[C@@H]2O)C1 226291422 344498231 /nfs/dbraw/zinc/49/82/31/344498231.db2.gz XVMGVRLIMIMANV-VLEAKVRGSA-N 1 1 183.295 1.630 10 0 ADAEMO CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C1 226290951 344498240 /nfs/dbraw/zinc/49/82/40/344498240.db2.gz YCWMFNUTQWUIEN-GMTAPVOTSA-N 1 1 183.295 1.632 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H](C)[C@@H]1CN 226340374 344499840 /nfs/dbraw/zinc/49/98/40/344499840.db2.gz BJLJBCBPJFAKQX-ZJUUUORDSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H](C)[C@@H]1CN 226340382 344499933 /nfs/dbraw/zinc/49/99/33/344499933.db2.gz BJLJBCBPJFAKQX-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H]1CCC[N@H+]1[C@@H]1CCCC[C@H]1N 226347488 344500453 /nfs/dbraw/zinc/50/04/53/344500453.db2.gz UKKNHMIJOZZAGT-HBNTYKKESA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@H]1N 226347482 344500460 /nfs/dbraw/zinc/50/04/60/344500460.db2.gz UKKNHMIJOZZAGT-GMTAPVOTSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H]1CCN1[C@@H]1CCCC[C@H]1[NH3+] 226347561 344500478 /nfs/dbraw/zinc/50/04/78/344500478.db2.gz QQCXDTONDCLBRY-OPRDCNLKSA-N 1 1 168.284 1.351 10 0 ADAEMO CCON[C@H]1CC[N@H+]2CCCC[C@@H]12 226387258 344501115 /nfs/dbraw/zinc/50/11/15/344501115.db2.gz NNXSZPFPQZDKPA-UWVGGRQHSA-N 1 1 184.283 1.154 10 0 ADAEMO CCON[C@@H]1CC[N@H+]2CCCC[C@@H]12 226387255 344501272 /nfs/dbraw/zinc/50/12/72/344501272.db2.gz NNXSZPFPQZDKPA-ZJUUUORDSA-N 1 1 184.283 1.154 10 0 ADAEMO CC1(C[N@H+]2CC[C@@H](CO)C2)CC1 226402591 344501796 /nfs/dbraw/zinc/50/17/96/344501796.db2.gz GDMWJNZOJGDBDX-SECBINFHSA-N 1 1 169.268 1.101 10 0 ADAEMO CC(=O)[C@@H](C)[N@@H+]1CCSC[C@@H]1C 226396189 344501899 /nfs/dbraw/zinc/50/18/99/344501899.db2.gz LLSQGAGSRMMLCE-JGVFFNPUSA-N 1 1 187.308 1.401 10 0 ADAEMO CC(=O)[C@@H](C)[N@H+]1CCSC[C@@H]1C 226396189 344501900 /nfs/dbraw/zinc/50/19/00/344501900.db2.gz LLSQGAGSRMMLCE-JGVFFNPUSA-N 1 1 187.308 1.401 10 0 ADAEMO CC[C@H](CN)[N@H+]1C[C@@H](C)CC[C@@H]1C 226397154 344501975 /nfs/dbraw/zinc/50/19/75/344501975.db2.gz ZJKIFWSPWDIEBO-GARJFASQSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 226398124 344502028 /nfs/dbraw/zinc/50/20/28/344502028.db2.gz AZZXNGKJJQRLCT-GRYCIOLGSA-N 1 1 199.338 1.981 10 0 ADAEMO N[C@@H]1CC[N@H+]([C@@H]2CC=CCC2)C1 226433073 344502731 /nfs/dbraw/zinc/50/27/31/344502731.db2.gz QTYKJLFCAZWVEX-NXEZZACHSA-N 1 1 166.268 1.128 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CC=CCC2)CCN1 226435150 344502998 /nfs/dbraw/zinc/50/29/98/344502998.db2.gz MRPKHVRCWLFZKM-GHMZBOCLSA-N 1 1 180.295 1.389 10 0 ADAEMO C[C@@H]1CN([C@@H]2CC=CCC2)CC[NH2+]1 226435150 344503000 /nfs/dbraw/zinc/50/30/00/344503000.db2.gz MRPKHVRCWLFZKM-GHMZBOCLSA-N 1 1 180.295 1.389 10 0 ADAEMO Cc1cc(C(=O)C2([NH3+])CC2)cs1 226435659 344503051 /nfs/dbraw/zinc/50/30/51/344503051.db2.gz VZZRBIBZKWYTHM-UHFFFAOYSA-N 1 1 181.260 1.731 10 0 ADAEMO C[C@H]1C[NH2+]CCN1[C@@H]1CC=CCC1 226435768 344503060 /nfs/dbraw/zinc/50/30/60/344503060.db2.gz UVJCBMYPRRYUKI-WDEREUQCSA-N 1 1 180.295 1.389 10 0 ADAEMO [NH3+]C1(C(=O)c2ccccc2F)CC1 226434074 344503080 /nfs/dbraw/zinc/50/30/80/344503080.db2.gz QCGVYWAUKWZLMW-UHFFFAOYSA-N 1 1 179.194 1.500 10 0 ADAEMO CC[C@@H]1CNCC[N@H+]1[C@@H]1CC=CCC1 226435752 344503096 /nfs/dbraw/zinc/50/30/96/344503096.db2.gz AIVUXJMIZUBAAC-VXGBXAGGSA-N 1 1 194.322 1.779 10 0 ADAEMO C[C@H]1C[N@H+]([C@@H]2CC=CCC2)CCN1 226435156 344503109 /nfs/dbraw/zinc/50/31/09/344503109.db2.gz MRPKHVRCWLFZKM-WDEREUQCSA-N 1 1 180.295 1.389 10 0 ADAEMO C[C@H]1CN([C@@H]2CC=CCC2)CC[NH2+]1 226435156 344503110 /nfs/dbraw/zinc/50/31/10/344503110.db2.gz MRPKHVRCWLFZKM-WDEREUQCSA-N 1 1 180.295 1.389 10 0 ADAEMO Cc1cncc(C(=O)C2([NH3+])CC2)c1 226434782 344503123 /nfs/dbraw/zinc/50/31/23/344503123.db2.gz LWBREKOTZANTLF-UHFFFAOYSA-N 1 1 176.219 1.064 10 0 ADAEMO Cc1ccc(C(=O)C2([NH3+])CC2)cn1 226433438 344503162 /nfs/dbraw/zinc/50/31/62/344503162.db2.gz KOUZRFMORIDCAA-UHFFFAOYSA-N 1 1 176.219 1.064 10 0 ADAEMO CC[C@H]1C[N@H+]([C@@H]2CC=CCC2)CCN1 226434365 344503203 /nfs/dbraw/zinc/50/32/03/344503203.db2.gz SBHVLBOZJPOTEG-NWDGAFQWSA-N 1 1 194.322 1.779 10 0 ADAEMO [NH3+]C1(C(=O)c2cccc(F)c2)CC1 226435088 344503236 /nfs/dbraw/zinc/50/32/36/344503236.db2.gz GXMACPFKJVWNHA-UHFFFAOYSA-N 1 1 179.194 1.500 10 0 ADAEMO Cc1ccncc1C(=O)C1([NH3+])CC1 226435486 344503252 /nfs/dbraw/zinc/50/32/52/344503252.db2.gz MIVXSFYTOLOAKK-UHFFFAOYSA-N 1 1 176.219 1.064 10 0 ADAEMO CC[C@H]1CNCC[N@H+]1[C@@H]1CC=CCC1 226435757 344503263 /nfs/dbraw/zinc/50/32/63/344503263.db2.gz AIVUXJMIZUBAAC-NWDGAFQWSA-N 1 1 194.322 1.779 10 0 ADAEMO Cc1ccsc1C(=O)C1([NH3+])CC1 226433893 344503294 /nfs/dbraw/zinc/50/32/94/344503294.db2.gz OKVHQDLGKLGCNZ-UHFFFAOYSA-N 1 1 181.260 1.731 10 0 ADAEMO CC[C@@H]1C[N@H+]([C@@H]2CC=CCC2)CCN1 226434361 344503316 /nfs/dbraw/zinc/50/33/16/344503316.db2.gz SBHVLBOZJPOTEG-VXGBXAGGSA-N 1 1 194.322 1.779 10 0 ADAEMO CC[C@@H]1CN([C@@H]2CC=CCC2)CC[NH2+]1 226434361 344503318 /nfs/dbraw/zinc/50/33/18/344503318.db2.gz SBHVLBOZJPOTEG-VXGBXAGGSA-N 1 1 194.322 1.779 10 0 ADAEMO Cc1ccc(F)c(C(=O)C2([NH3+])CC2)c1 226434139 344503357 /nfs/dbraw/zinc/50/33/57/344503357.db2.gz WNEITTCSBFBRFG-UHFFFAOYSA-N 1 1 193.221 1.808 10 0 ADAEMO [NH3+]C1(C(=O)c2ccsc2)CC1 226433829 344503380 /nfs/dbraw/zinc/50/33/80/344503380.db2.gz HSQRYLZLPHVELZ-UHFFFAOYSA-N 1 1 167.233 1.422 10 0 ADAEMO Cc1ccc(C(=O)C2([NH3+])CC2)s1 226433880 344503402 /nfs/dbraw/zinc/50/34/02/344503402.db2.gz UEGBFQPAAWIVNQ-UHFFFAOYSA-N 1 1 181.260 1.731 10 0 ADAEMO CC1(C)CN([C@H]2CCC[NH2+]CC2)C1 226482275 344504060 /nfs/dbraw/zinc/50/40/60/344504060.db2.gz ZTMDVDUGOBCEMV-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO C1C[NH2+]CC[C@@H](N2CC3(CCC3)C2)C1 226482709 344504093 /nfs/dbraw/zinc/50/40/93/344504093.db2.gz OCHWTKWNYMPCKC-NSHDSACASA-N 1 1 194.322 1.614 10 0 ADAEMO [NH3+][C@]1(C(=O)c2ccsc2)CCOC1 226469668 344504102 /nfs/dbraw/zinc/50/41/02/344504102.db2.gz YGGMRTNIWDRWCD-SECBINFHSA-N 1 1 197.259 1.049 10 0 ADAEMO [NH3+][C@]1(C(=O)c2cccs2)CCOC1 226472792 344504135 /nfs/dbraw/zinc/50/41/35/344504135.db2.gz MTIBUWZPNMCPFI-SECBINFHSA-N 1 1 197.259 1.049 10 0 ADAEMO [NH3+][C@@]1(C(=O)c2ccsc2)CCOC1 226469662 344504177 /nfs/dbraw/zinc/50/41/77/344504177.db2.gz YGGMRTNIWDRWCD-VIFPVBQESA-N 1 1 197.259 1.049 10 0 ADAEMO C1C[NH2+]CC[C@H](N2CC3(CC3)C2)C1 226482169 344504189 /nfs/dbraw/zinc/50/41/89/344504189.db2.gz QVZCMHJMYJBOPY-SNVBAGLBSA-N 1 1 180.295 1.224 10 0 ADAEMO [NH3+][C@@]1(C(=O)c2cccs2)CCOC1 226472790 344504193 /nfs/dbraw/zinc/50/41/93/344504193.db2.gz MTIBUWZPNMCPFI-VIFPVBQESA-N 1 1 197.259 1.049 10 0 ADAEMO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@@H]1C 226495871 344505114 /nfs/dbraw/zinc/50/51/14/344505114.db2.gz CCCKFGIEMRDRQF-WCBMZHEXSA-N 1 1 197.278 1.422 10 0 ADAEMO CN[C@@H]1CC[N@@H+]([C@@H](C)C2CCCC2)C1 226496213 344505221 /nfs/dbraw/zinc/50/52/21/344505221.db2.gz YCOJRMNZYRBJIW-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO CN[C@@H]1CC[N@H+]([C@@H](C)C2CCCC2)C1 226496213 344505224 /nfs/dbraw/zinc/50/52/24/344505224.db2.gz YCOJRMNZYRBJIW-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@@H](C)C1 226498073 344505297 /nfs/dbraw/zinc/50/52/97/344505297.db2.gz PAQHIDWRSDSLTP-PSASIEDQSA-N 1 1 197.278 1.280 10 0 ADAEMO [NH3+][C@H]1C=C[C@@H](C(=O)c2ccsc2)C1 226562070 344506218 /nfs/dbraw/zinc/50/62/18/344506218.db2.gz AEBUOMAGMGHADQ-APPZFPTMSA-N 1 1 193.271 1.834 10 0 ADAEMO [NH3+][C@@H]1C=C[C@@H](C(=O)c2ccsc2)C1 226562064 344506334 /nfs/dbraw/zinc/50/63/34/344506334.db2.gz AEBUOMAGMGHADQ-VXNVDRBHSA-N 1 1 193.271 1.834 10 0 ADAEMO [NH3+][C@@H]1C=C[C@H](C(=O)c2ccsc2)C1 226562075 344506388 /nfs/dbraw/zinc/50/63/88/344506388.db2.gz AEBUOMAGMGHADQ-IONNQARKSA-N 1 1 193.271 1.834 10 0 ADAEMO [NH3+][C@H]1C=C[C@H](C(=O)c2ccsc2)C1 226562081 344506430 /nfs/dbraw/zinc/50/64/30/344506430.db2.gz AEBUOMAGMGHADQ-CBAPKCEASA-N 1 1 193.271 1.834 10 0 ADAEMO C[C@H](CN)[N@H+]1CC[C@@H]2CCCC[C@@H]21 226575609 344506864 /nfs/dbraw/zinc/50/68/64/344506864.db2.gz JSHCPNURPFBUQX-VWYCJHECSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H](CN)[N@H+]1CC[C@@H]2CCCC[C@@H]21 226575604 344506970 /nfs/dbraw/zinc/50/69/70/344506970.db2.gz JSHCPNURPFBUQX-DCAQKATOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCC[C@H]1CN1CC[NH2+]CC1 226579694 344507213 /nfs/dbraw/zinc/50/72/13/344507213.db2.gz IZECNWIPGGKVHH-QWRGUYRKSA-N 1 1 182.311 1.328 10 0 ADAEMO C[C@@H]1CCC[C@H]1CN1CC[NH2+]CC1 226579690 344507318 /nfs/dbraw/zinc/50/73/18/344507318.db2.gz IZECNWIPGGKVHH-MNOVXSKESA-N 1 1 182.311 1.328 10 0 ADAEMO CC(C)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C 226641978 344509715 /nfs/dbraw/zinc/50/97/15/344509715.db2.gz SNSSLJJVRMGIFN-RYUDHWBXSA-N 1 1 196.338 1.811 10 0 ADAEMO CC[C@@](C)(N)C[N@@H+]1CC[C@@H](C)C1 226693346 344510266 /nfs/dbraw/zinc/51/02/66/344510266.db2.gz SHRBYKFFMHEAIL-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@](C)(N)C[N@H+]1CC[C@@H](C)C1 226693346 344510267 /nfs/dbraw/zinc/51/02/67/344510267.db2.gz SHRBYKFFMHEAIL-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@](C)(N)C[N@H+]1CCC[C@@H](C)C1 226692674 344510270 /nfs/dbraw/zinc/51/02/70/344510270.db2.gz SHFQHRXYGHDMEP-MNOVXSKESA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@](C)([NH3+])CN1CCC[C@@H](C)C1 226692674 344510271 /nfs/dbraw/zinc/51/02/71/344510271.db2.gz SHFQHRXYGHDMEP-MNOVXSKESA-N 1 1 184.327 1.846 10 0 ADAEMO C[C@H]1CCC[C@@H]1c1nc(C[NH3+])no1 226693344 344510341 /nfs/dbraw/zinc/51/03/41/344510341.db2.gz VLUCYOFHAWYEIU-BQBZGAKWSA-N 1 1 181.239 1.432 10 0 ADAEMO CC[C@@](C)(N)C[N@H+]1CCC[C@@H](C)C1 226692667 344510376 /nfs/dbraw/zinc/51/03/76/344510376.db2.gz SHFQHRXYGHDMEP-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@](C)([NH3+])CN1CCC[C@@H](C)C1 226692667 344510378 /nfs/dbraw/zinc/51/03/78/344510378.db2.gz SHFQHRXYGHDMEP-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@](C)(N)C[N@@H+]1CC[C@@H](C)C1 226693354 344510439 /nfs/dbraw/zinc/51/04/39/344510439.db2.gz SHRBYKFFMHEAIL-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@](C)(N)C[N@H+]1CC[C@@H](C)C1 226693354 344510441 /nfs/dbraw/zinc/51/04/41/344510441.db2.gz SHRBYKFFMHEAIL-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H]1CCC[C@H]1c1nnc(C[NH3+])o1 226698908 344510460 /nfs/dbraw/zinc/51/04/60/344510460.db2.gz ZECCXNCOVFJHQF-RNFRBKRXSA-N 1 1 181.239 1.432 10 0 ADAEMO C[C@H]1CCC[C@@H]1c1nnc(C[NH3+])o1 226698902 344510471 /nfs/dbraw/zinc/51/04/71/344510471.db2.gz ZECCXNCOVFJHQF-BQBZGAKWSA-N 1 1 181.239 1.432 10 0 ADAEMO C[C@@H]1CCC[C@H]1c1nc(C[NH3+])no1 226693350 344510519 /nfs/dbraw/zinc/51/05/19/344510519.db2.gz VLUCYOFHAWYEIU-RNFRBKRXSA-N 1 1 181.239 1.432 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@@H]2OCC[C@@H]2C)o1 226738019 344511196 /nfs/dbraw/zinc/51/11/96/344511196.db2.gz IYQPUGGGWITELK-LYFYHCNISA-N 1 1 197.238 1.187 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@H]2OCC[C@@H]2C)o1 226738028 344511200 /nfs/dbraw/zinc/51/12/00/344511200.db2.gz IYQPUGGGWITELK-ACZMJKKPSA-N 1 1 197.238 1.187 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@H+]1CCCCC[C@@H]1C 226732157 344511210 /nfs/dbraw/zinc/51/12/10/344511210.db2.gz FWWOQKBJYYPGJB-GARJFASQSA-N 1 1 184.327 1.987 10 0 ADAEMO CN[C@@H](C)C[N@@H+]1CCCCC[C@@H]1C 226730998 344511218 /nfs/dbraw/zinc/51/12/18/344511218.db2.gz GVCMVHMQKAMIEH-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CN[C@@H](C)C[N@H+]1CCCCC[C@@H]1C 226730998 344511219 /nfs/dbraw/zinc/51/12/19/344511219.db2.gz GVCMVHMQKAMIEH-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO C[C@H]1CCCCC[N@@H+]1[C@H](C)CN 226728538 344511372 /nfs/dbraw/zinc/51/13/72/344511372.db2.gz CJBLUAXTMYYPCK-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@H](N)[C@H](C)[N@H+]1CCCCC[C@@H]1C 226732167 344511386 /nfs/dbraw/zinc/51/13/86/344511386.db2.gz FWWOQKBJYYPGJB-DCAQKATOSA-N 1 1 184.327 1.987 10 0 ADAEMO C[C@H]1CCCCC[N@@H+]1[C@H](C)C(N)=O 226738425 344511468 /nfs/dbraw/zinc/51/14/68/344511468.db2.gz LIEFJPLGSXGJFK-DTWKUNHWSA-N 1 1 184.283 1.125 10 0 ADAEMO CNC[C@@H](C)[N@@H+]1CCCCC[C@@H]1C 226744637 344511807 /nfs/dbraw/zinc/51/18/07/344511807.db2.gz AJRTUBMZJFXROQ-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CNC[C@@H](C)[N@H+]1CCCCC[C@@H]1C 226744637 344511808 /nfs/dbraw/zinc/51/18/08/344511808.db2.gz AJRTUBMZJFXROQ-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](C)C1 226761906 344512608 /nfs/dbraw/zinc/51/26/08/344512608.db2.gz YSBDIUUGSYFPPG-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@@H](N)C[N@@H+]1CC[C@@H](C)C1 226761906 344512609 /nfs/dbraw/zinc/51/26/09/344512609.db2.gz YSBDIUUGSYFPPG-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@@H](N)C[N@H+]1CC[C@@H](C)C1 226761906 344512611 /nfs/dbraw/zinc/51/26/11/344512611.db2.gz YSBDIUUGSYFPPG-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@H](C)CC[NH3+])C1 226755996 344512622 /nfs/dbraw/zinc/51/26/22/344512622.db2.gz BDQKSRSASCQQOZ-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@H]([NH3+])[C@@H](C)[N@H+]1CC[C@@H](C)C1 226757815 344512647 /nfs/dbraw/zinc/51/26/47/344512647.db2.gz FYEOXLDZMMXLSQ-BBBLOLIVSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](N)[C@@H](C)[N@@H+]1CC[C@@H](C)C1 226757815 344512648 /nfs/dbraw/zinc/51/26/48/344512648.db2.gz FYEOXLDZMMXLSQ-BBBLOLIVSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](N)[C@@H](C)[N@H+]1CC[C@@H](C)C1 226757815 344512650 /nfs/dbraw/zinc/51/26/50/344512650.db2.gz FYEOXLDZMMXLSQ-BBBLOLIVSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@H](C)CC(N)=S)C1 226758950 344512655 /nfs/dbraw/zinc/51/26/55/344512655.db2.gz PXXHAUSPCCQNKP-HTQZYQBOSA-N 1 1 186.324 1.393 10 0 ADAEMO CC[C@H](CN)[N@H+]1CC[C@@H](C)C1 226756323 344512670 /nfs/dbraw/zinc/51/26/70/344512670.db2.gz BIAPHBGMLQLHHM-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@@](C)(CN)[N@H+]1CC[C@@H](C)C1 226756484 344512701 /nfs/dbraw/zinc/51/27/01/344512701.db2.gz LRYVYMNRKJLEOS-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H]1CCC[C@H]1c1nnc(C[NH3+])s1 226755945 344512708 /nfs/dbraw/zinc/51/27/08/344512708.db2.gz WIXBVNXLSBYINF-RNFRBKRXSA-N 1 1 197.307 1.900 10 0 ADAEMO C[C@@H]1CCC[C@@H]1c1nnc(C[NH3+])s1 226755932 344512735 /nfs/dbraw/zinc/51/27/35/344512735.db2.gz WIXBVNXLSBYINF-RQJHMYQMSA-N 1 1 197.307 1.900 10 0 ADAEMO CC[C@@H](CN)[N@H+]1CC[C@@H](C)C1 226756316 344512746 /nfs/dbraw/zinc/51/27/46/344512746.db2.gz BIAPHBGMLQLHHM-BDAKNGLRSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@H]([NH3+])C[N@H+]1CC[C@@H](C)C1 226761914 344512759 /nfs/dbraw/zinc/51/27/59/344512759.db2.gz YSBDIUUGSYFPPG-BDAKNGLRSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@H](N)C[N@@H+]1CC[C@@H](C)C1 226761914 344512761 /nfs/dbraw/zinc/51/27/61/344512761.db2.gz YSBDIUUGSYFPPG-BDAKNGLRSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@H](N)C[N@H+]1CC[C@@H](C)C1 226761914 344512763 /nfs/dbraw/zinc/51/27/63/344512763.db2.gz YSBDIUUGSYFPPG-BDAKNGLRSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H](C[N@H+]1CC[C@@H](C)C1)C(N)=S 226758838 344512767 /nfs/dbraw/zinc/51/27/67/344512767.db2.gz FHKUYPJLZZZFOY-SFYZADRCSA-N 1 1 186.324 1.250 10 0 ADAEMO 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344550593 /nfs/dbraw/zinc/55/05/93/344550593.db2.gz LYGGCPQVALFDHA-APPZFPTMSA-N 1 1 190.237 1.207 10 0 ADAEMO C1CC[N@@H+]2CC[C@]3(NCCS3)[C@H]2C1 227925511 344550673 /nfs/dbraw/zinc/55/06/73/344550673.db2.gz QLCLGJNYNDEMLO-NXEZZACHSA-N 1 1 198.335 1.277 10 0 ADAEMO C1CC[N@@H+]2CC[C@@]3(NCCS3)[C@H]2C1 227925519 344550693 /nfs/dbraw/zinc/55/06/93/344550693.db2.gz QLCLGJNYNDEMLO-ZJUUUORDSA-N 1 1 198.335 1.277 10 0 ADAEMO O[C@]1(C(F)F)CC[N@H+]2CCCC[C@@H]21 227922942 344550718 /nfs/dbraw/zinc/55/07/18/344550718.db2.gz RCPDRYPPAFVFPO-VXNVDRBHSA-N 1 1 191.221 1.241 10 0 ADAEMO C[C@@H]1CNC[C@@H]([N@@H+]2CCCC[C@@H]2C)C1 227936471 344551001 /nfs/dbraw/zinc/55/10/01/344551001.db2.gz MDTALNQUMVRHAL-SRVKXCTJSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CNC[C@@H]([N@H+]2CCCC[C@@H]2C)C1 227936471 344551003 /nfs/dbraw/zinc/55/10/03/344551003.db2.gz MDTALNQUMVRHAL-SRVKXCTJSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CNC[C@@H]([NH+]2CCCCCC2)C1 227936596 344551047 /nfs/dbraw/zinc/55/10/47/344551047.db2.gz OMEDYLMTEISSPI-RYUDHWBXSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]1CNC[C@H]([N@H+](C)C2CCCC2)C1 227936946 344551170 /nfs/dbraw/zinc/55/11/70/344551170.db2.gz JWYFSROBHKFMED-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CNC[C@H]([N@@H+](C)C2CCCC2)C1 227936946 344551172 /nfs/dbraw/zinc/55/11/72/344551172.db2.gz JWYFSROBHKFMED-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@@H](N2CCC[C@H]2C)C1 227937855 344551190 /nfs/dbraw/zinc/55/11/90/344551190.db2.gz IJIIMZHUCBOADZ-AXFHLTTASA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@@H](N2CC[C@@H](C)C2)C1 227937962 344551251 /nfs/dbraw/zinc/55/12/51/344551251.db2.gz APOQNLVRAKYUKQ-VWYCJHECSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1C[NH2+]C[C@@H](N2CC[C@H](C)C2)C1 227937970 344551281 /nfs/dbraw/zinc/55/12/81/344551281.db2.gz APOQNLVRAKYUKQ-DCAQKATOSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@H]1CNC[C@@H]([N@H+](C)C2CCCC2)C1 227936940 344551299 /nfs/dbraw/zinc/55/12/99/344551299.db2.gz JWYFSROBHKFMED-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CNC[C@@H]([N@@H+](C)C2CCCC2)C1 227936940 344551303 /nfs/dbraw/zinc/55/13/03/344551303.db2.gz JWYFSROBHKFMED-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CNC[C@@H]([N@H+](C)C2CCCC2)C1 227936934 344551316 /nfs/dbraw/zinc/55/13/16/344551316.db2.gz JWYFSROBHKFMED-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CNC[C@@H]([N@@H+](C)C2CCCC2)C1 227936934 344551318 /nfs/dbraw/zinc/55/13/18/344551318.db2.gz JWYFSROBHKFMED-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CNC[C@@H]([NH+]2CCCCCC2)C1 227936604 344551356 /nfs/dbraw/zinc/55/13/56/344551356.db2.gz OMEDYLMTEISSPI-NEPJUHHUSA-N 1 1 196.338 1.860 10 0 ADAEMO CC1(C)C[NH+](C[C@@H](O)C(F)(F)F)C1 227940540 344551721 /nfs/dbraw/zinc/55/17/21/344551721.db2.gz CQZOFAXFFJKIFS-ZCFIWIBFSA-N 1 1 197.200 1.251 10 0 ADAEMO CC1(C)C[NH+](C[C@H](O)C(F)(F)F)C1 227940548 344551910 /nfs/dbraw/zinc/55/19/10/344551910.db2.gz CQZOFAXFFJKIFS-LURJTMIESA-N 1 1 197.200 1.251 10 0 ADAEMO C[C@@H]1CCN(C[C@@]2(C)CCCC[NH2+]2)C1 227955048 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MENSOYCHBBEDNF-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC1(N2CC[N@H+]3CCC[C@@H]3C2)CCC1 228932738 344575949 /nfs/dbraw/zinc/57/59/49/344575949.db2.gz YSSYFQGJBSDNOO-LLVKDONJSA-N 1 1 194.322 1.709 10 0 ADAEMO CC(C)[C@H]1CN[C@@H](C)C[N@H+]1C1(C)CC1 228932408 344575978 /nfs/dbraw/zinc/57/59/78/344575978.db2.gz LUSYCDWMAZKLGN-WDEREUQCSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@H]1C[NH2+][C@@H](C)CN1C1(C)CC1 228932408 344575980 /nfs/dbraw/zinc/57/59/80/344575980.db2.gz LUSYCDWMAZKLGN-WDEREUQCSA-N 1 1 196.338 1.857 10 0 ADAEMO CC1(C)C[N@@H+](C2(C)CC2)CCN1 228930393 344575992 /nfs/dbraw/zinc/57/59/92/344575992.db2.gz KWYBKEDEGRUHOZ-UHFFFAOYSA-N 1 1 168.284 1.223 10 0 ADAEMO CC1(C)CN(C2(C)CC2)CC[NH2+]1 228930393 344575995 /nfs/dbraw/zinc/57/59/95/344575995.db2.gz KWYBKEDEGRUHOZ-UHFFFAOYSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@H]1CNCC[N@H+]1C1(C)CC1 228931894 344576000 /nfs/dbraw/zinc/57/60/00/344576000.db2.gz OZXPATRSGDNHTK-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO 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1 196.338 1.859 10 0 ADAEMO C[C@H]1CN[C@H](C)C[N@@H+]1C1(C)CCC1 228933468 344576117 /nfs/dbraw/zinc/57/61/17/344576117.db2.gz BREKPORBPQOISX-ZJUUUORDSA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@H]1C[NH2+][C@H](C)CN1C1(C)CCC1 228933468 344576119 /nfs/dbraw/zinc/57/61/19/344576119.db2.gz BREKPORBPQOISX-ZJUUUORDSA-N 1 1 182.311 1.611 10 0 ADAEMO CC(C)[C@@H]1CN[C@@H](C)C[N@H+]1C1(C)CC1 228932393 344576126 /nfs/dbraw/zinc/57/61/26/344576126.db2.gz LUSYCDWMAZKLGN-QWRGUYRKSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1C1(C)CC1 228932393 344576128 /nfs/dbraw/zinc/57/61/28/344576128.db2.gz LUSYCDWMAZKLGN-QWRGUYRKSA-N 1 1 196.338 1.857 10 0 ADAEMO CC1([N@@H+]2CCN[C@@H](C3CC3)C2)CC1 228930733 344576152 /nfs/dbraw/zinc/57/61/52/344576152.db2.gz SLXVKNAEPJFUJQ-SNVBAGLBSA-N 1 1 180.295 1.223 10 0 ADAEMO CC1([N@H+]2CCN[C@@H](C3CC3)C2)CC1 228930733 344576154 /nfs/dbraw/zinc/57/61/54/344576154.db2.gz SLXVKNAEPJFUJQ-SNVBAGLBSA-N 1 1 180.295 1.223 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](C2(C)CC2)CCN1 228930824 344576178 /nfs/dbraw/zinc/57/61/78/344576178.db2.gz BPPSFFZYFGOUJK-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@@H]1CN[C@H](C)C[N@H+]1C1(C)CC1 228932417 344576186 /nfs/dbraw/zinc/57/61/86/344576186.db2.gz LUSYCDWMAZKLGN-MNOVXSKESA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@@H]1C[NH2+][C@H](C)CN1C1(C)CC1 228932417 344576189 /nfs/dbraw/zinc/57/61/89/344576189.db2.gz LUSYCDWMAZKLGN-MNOVXSKESA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@@H]1C[N@H+](C2(C)CC2)[C@@H](C)CN1 228930642 344576204 /nfs/dbraw/zinc/57/62/04/344576204.db2.gz PEGJUIDAOQYQIB-VHSXEESVSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1CN(C2(C)CC2)[C@@H](C)C[NH2+]1 228930642 344576205 /nfs/dbraw/zinc/57/62/05/344576205.db2.gz PEGJUIDAOQYQIB-VHSXEESVSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1C1(C)CC1 228931611 344576217 /nfs/dbraw/zinc/57/62/17/344576217.db2.gz FEPNSKFMFSIILR-VHSXEESVSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1C[NH2+][C@@H](C)CN1C1(C)CC1 228931611 344576219 /nfs/dbraw/zinc/57/62/19/344576219.db2.gz FEPNSKFMFSIILR-VHSXEESVSA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@@H]1CNC(C)(C)C[N@H+]1C1(C)CC1 228932445 344576227 /nfs/dbraw/zinc/57/62/27/344576227.db2.gz YGLIRQSIWBDXFQ-SECBINFHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1C1(C)CC1 228931638 344576239 /nfs/dbraw/zinc/57/62/39/344576239.db2.gz FEPNSKFMFSIILR-NXEZZACHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1C[NH2+][C@H](C)CN1C1(C)CC1 228931638 344576241 /nfs/dbraw/zinc/57/62/41/344576241.db2.gz FEPNSKFMFSIILR-NXEZZACHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1C[N@H+](C2(C)CC2)CCC[NH2+]1 228931436 344576249 /nfs/dbraw/zinc/57/62/49/344576249.db2.gz FNFQAOWHHMJOFA-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@H]1CN[C@H](C)C[N@H+]1C1(C)CC1 228931647 344576264 /nfs/dbraw/zinc/57/62/64/344576264.db2.gz FEPNSKFMFSIILR-ZJUUUORDSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@H]1C[NH2+][C@H](C)CN1C1(C)CC1 228931647 344576266 /nfs/dbraw/zinc/57/62/66/344576266.db2.gz FEPNSKFMFSIILR-ZJUUUORDSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@H]1C[NH2+][C@@H](C)CN1C1(C)CC1 228931623 344576481 /nfs/dbraw/zinc/57/64/81/344576481.db2.gz FEPNSKFMFSIILR-UWVGGRQHSA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@@H]1C[N@H+](C2(C)CC2)CCC[NH2+]1 228931580 344576285 /nfs/dbraw/zinc/57/62/85/344576285.db2.gz HYULSRYBOZCYRC-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1C[N@@H+](C2(C)CC2)CCCN1 228931580 344576287 /nfs/dbraw/zinc/57/62/87/344576287.db2.gz HYULSRYBOZCYRC-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1C[N@H+](C2(C)CC2)CCCN1 228931580 344576289 /nfs/dbraw/zinc/57/62/89/344576289.db2.gz HYULSRYBOZCYRC-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@H]1C[N@H+](C2(C)CCC2)[C@@H](C)CN1 228933482 344576298 /nfs/dbraw/zinc/57/62/98/344576298.db2.gz BREKPORBPQOISX-UWVGGRQHSA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@H]1CN(C2(C)CCC2)[C@@H](C)C[NH2+]1 228933482 344576300 /nfs/dbraw/zinc/57/63/00/344576300.db2.gz BREKPORBPQOISX-UWVGGRQHSA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@H]1C[N@H+](C2(C)CC2)CCC[NH2+]1 228931592 344576308 /nfs/dbraw/zinc/57/63/08/344576308.db2.gz HYULSRYBOZCYRC-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@H]1C[N@@H+](C2(C)CC2)CCCN1 228931592 344576311 /nfs/dbraw/zinc/57/63/11/344576311.db2.gz HYULSRYBOZCYRC-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@H]1C[N@H+](C2(C)CC2)CCCN1 228931592 344576313 /nfs/dbraw/zinc/57/63/13/344576313.db2.gz HYULSRYBOZCYRC-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@H]1C[N@H+](C2(C)CC2)[C@@H](C)CN1 228930659 344576320 /nfs/dbraw/zinc/57/63/20/344576320.db2.gz PEGJUIDAOQYQIB-UWVGGRQHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@H]1CN(C2(C)CC2)[C@@H](C)C[NH2+]1 228930659 344576323 /nfs/dbraw/zinc/57/63/23/344576323.db2.gz PEGJUIDAOQYQIB-UWVGGRQHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@H]1C[N@@H+](C2(C)CC2)CCN1 228932531 344576328 /nfs/dbraw/zinc/57/63/28/344576328.db2.gz BVBIELFMPFAACF-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@H]1C[N@H+](C2(C)CC2)CCN1 228932531 344576329 /nfs/dbraw/zinc/57/63/29/344576329.db2.gz BVBIELFMPFAACF-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@@H]1C[N@@H+](C2(C)CC2)CCN1 228932524 344576334 /nfs/dbraw/zinc/57/63/34/344576334.db2.gz BVBIELFMPFAACF-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@@H]1C[N@H+](C2(C)CC2)CCN1 228932524 344576336 /nfs/dbraw/zinc/57/63/36/344576336.db2.gz BVBIELFMPFAACF-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@H]1CNC(C)(C)C[N@H+]1C1(C)CC1 228932456 344576342 /nfs/dbraw/zinc/57/63/42/344576342.db2.gz YGLIRQSIWBDXFQ-VIFPVBQESA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@H]1C[NH2+]C(C)(C)CN1C1(C)CC1 228932456 344576344 /nfs/dbraw/zinc/57/63/44/344576344.db2.gz YGLIRQSIWBDXFQ-VIFPVBQESA-N 1 1 182.311 1.611 10 0 ADAEMO CC1([N@H+]2CCC[C@H](N)C2)CCC1 228928047 344576349 /nfs/dbraw/zinc/57/63/49/344576349.db2.gz GCLBFAOFRATTNO-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO CC1(N2CCC[C@H]([NH3+])C2)CCC1 228928047 344576351 /nfs/dbraw/zinc/57/63/51/344576351.db2.gz GCLBFAOFRATTNO-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO CC1([N@@H+]2CCN[C@H](C3CC3)C2)CC1 228930718 344576364 /nfs/dbraw/zinc/57/63/64/344576364.db2.gz SLXVKNAEPJFUJQ-JTQLQIEISA-N 1 1 180.295 1.223 10 0 ADAEMO CC1([N@H+]2CCN[C@H](C3CC3)C2)CC1 228930718 344576366 /nfs/dbraw/zinc/57/63/66/344576366.db2.gz SLXVKNAEPJFUJQ-JTQLQIEISA-N 1 1 180.295 1.223 10 0 ADAEMO CC[C@H]1C[N@H+](C2(C)CC2)CCC[NH2+]1 228931452 344576378 /nfs/dbraw/zinc/57/63/78/344576378.db2.gz FNFQAOWHHMJOFA-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@@H](C)[C@H]1C[N@@H+](C2(C)CC2)CCN1 228929086 344576402 /nfs/dbraw/zinc/57/64/02/344576402.db2.gz MGAUKOBKXKAXSV-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H](C)[C@H]1C[N@H+](C2(C)CC2)CCN1 228929086 344576405 /nfs/dbraw/zinc/57/64/05/344576405.db2.gz MGAUKOBKXKAXSV-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1C[N@H+](C2(C)CC2)[C@@H](C)CN1 228930308 344576420 /nfs/dbraw/zinc/57/64/20/344576420.db2.gz FTKOIGWAAJIXRL-IUCAKERBSA-N 1 1 168.284 1.221 10 0 ADAEMO C[C@H]1CN(C2(C)CC2)[C@@H](C)C[NH2+]1 228930308 344576422 /nfs/dbraw/zinc/57/64/22/344576422.db2.gz FTKOIGWAAJIXRL-IUCAKERBSA-N 1 1 168.284 1.221 10 0 ADAEMO CC[C@@]1(C)C[N@H+](C2(C)CC2)CCN1 228931121 344576461 /nfs/dbraw/zinc/57/64/61/344576461.db2.gz MENSOYCHBBEDNF-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@@]1(C)CN(C2(C)CC2)CC[NH2+]1 228931121 344576462 /nfs/dbraw/zinc/57/64/62/344576462.db2.gz MENSOYCHBBEDNF-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)[C@H]1CN[C@H](C)C[N@H+]1C1(C)CC1 228932431 344576467 /nfs/dbraw/zinc/57/64/67/344576467.db2.gz LUSYCDWMAZKLGN-GHMZBOCLSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@H]1C[NH2+][C@H](C)CN1C1(C)CC1 228932431 344576469 /nfs/dbraw/zinc/57/64/69/344576469.db2.gz LUSYCDWMAZKLGN-GHMZBOCLSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@H]1C[N@@H+](C2(C)CC2)CCN1 228930837 344576473 /nfs/dbraw/zinc/57/64/73/344576473.db2.gz BPPSFFZYFGOUJK-SNVBAGLBSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@H]1C[N@H+](C2(C)CC2)CCN1 228930837 344576476 /nfs/dbraw/zinc/57/64/76/344576476.db2.gz BPPSFFZYFGOUJK-SNVBAGLBSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H]1CN[C@@H](C)C[N@H+]1C1(C)CC1 228931623 344576479 /nfs/dbraw/zinc/57/64/79/344576479.db2.gz FEPNSKFMFSIILR-UWVGGRQHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC(C)C[C@@H]1C[N@@H+](C2(C)CC2)CCN1 228932479 344576484 /nfs/dbraw/zinc/57/64/84/344576484.db2.gz RMNJQKWOGSCBBH-LLVKDONJSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)C[C@@H]1C[N@H+](C2(C)CC2)CCN1 228932479 344576485 /nfs/dbraw/zinc/57/64/85/344576485.db2.gz RMNJQKWOGSCBBH-LLVKDONJSA-N 1 1 196.338 1.859 10 0 ADAEMO CC1([N@H+]2CCC[C@@H](N)C2)CCC1 228928034 344576496 /nfs/dbraw/zinc/57/64/96/344576496.db2.gz GCLBFAOFRATTNO-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC1(N2CCC[C@@H]([NH3+])C2)CCC1 228928034 344576498 /nfs/dbraw/zinc/57/64/98/344576498.db2.gz GCLBFAOFRATTNO-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[C@@H]1CNCC[N@H+]1C1(C)CC1 228931883 344576504 /nfs/dbraw/zinc/57/65/04/344576504.db2.gz OZXPATRSGDNHTK-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@@H]1C[NH2+]CCN1C1(C)CC1 228931883 344576506 /nfs/dbraw/zinc/57/65/06/344576506.db2.gz OZXPATRSGDNHTK-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1C1(C)CCC1 228934296 344576640 /nfs/dbraw/zinc/57/66/40/344576640.db2.gz UTJONSBYVGEZOH-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1C[NH2+]CCN1C1(C)CCC1 228934296 344576643 /nfs/dbraw/zinc/57/66/43/344576643.db2.gz UTJONSBYVGEZOH-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@H]1CNCC[N@H+]1C1(C)CCC1 228934929 344576692 /nfs/dbraw/zinc/57/66/92/344576692.db2.gz PXMLCCIODXVJFD-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)[C@H]1CNCC[N@H+]1C1(C)CCC1 228933991 344576712 /nfs/dbraw/zinc/57/67/12/344576712.db2.gz PVURRAJOFQTIHE-LLVKDONJSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CC[N@H+](C[C@@H](N)C2CCCC2)C1 228945561 344576733 /nfs/dbraw/zinc/57/67/33/344576733.db2.gz RQMYJBRUFXYUEW-CMPLNLGQSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1CC[N@@H+](C[C@@H](N)C2CCCC2)C1 228945561 344576735 /nfs/dbraw/zinc/57/67/35/344576735.db2.gz RQMYJBRUFXYUEW-CMPLNLGQSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1C[N@H+](C2(C)CCC2)CCN1 228933515 344576746 /nfs/dbraw/zinc/57/67/46/344576746.db2.gz CFXVHZHHPHQDOF-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@H]1CN(C2(C)CCC2)CC[NH2+]1 228933515 344576749 /nfs/dbraw/zinc/57/67/49/344576749.db2.gz CFXVHZHHPHQDOF-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CC(C)[C@H]1C[N@H+](C2(C)CCC2)CCN1 228933878 344576754 /nfs/dbraw/zinc/57/67/54/344576754.db2.gz AFIDHZFXCSZJIZ-LLVKDONJSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@H]1CN(C2(C)CCC2)CC[NH2+]1 228933878 344576756 /nfs/dbraw/zinc/57/67/56/344576756.db2.gz AFIDHZFXCSZJIZ-LLVKDONJSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CNCC[N@H+]1C1(C)CCC1 228934309 344576771 /nfs/dbraw/zinc/57/67/71/344576771.db2.gz UTJONSBYVGEZOH-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@H]1C[NH2+]CCN1C1(C)CCC1 228934309 344576774 /nfs/dbraw/zinc/57/67/74/344576774.db2.gz UTJONSBYVGEZOH-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1C[N@H+](C2(C)CCC2)CCCN1 228934602 344576795 /nfs/dbraw/zinc/57/67/95/344576795.db2.gz IHYYRCGWVAAHII-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@@H]1CN(C2(C)CCC2)CCC[NH2+]1 228934602 344576797 /nfs/dbraw/zinc/57/67/97/344576797.db2.gz IHYYRCGWVAAHII-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC1(C)C[N@@H+](C2(C)CCC2)CCN1 228933541 344576821 /nfs/dbraw/zinc/57/68/21/344576821.db2.gz FNUDJCFIAAQDRP-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CC1(C)CN(C2(C)CCC2)CC[NH2+]1 228933541 344576823 /nfs/dbraw/zinc/57/68/23/344576823.db2.gz FNUDJCFIAAQDRP-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)[C@@H]1C[N@H+](C2(C)CCC2)CCN1 228933863 344576868 /nfs/dbraw/zinc/57/68/68/344576868.db2.gz AFIDHZFXCSZJIZ-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@@H]1CN(C2(C)CCC2)CC[NH2+]1 228933863 344576871 /nfs/dbraw/zinc/57/68/71/344576871.db2.gz AFIDHZFXCSZJIZ-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1CNCC[N@H+]1C1(C)CCC1 228934917 344576963 /nfs/dbraw/zinc/57/69/63/344576963.db2.gz PXMLCCIODXVJFD-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@@H]1CC[N@H+](C[C@@H](N)C2CCCC2)C1 228945547 344576997 /nfs/dbraw/zinc/57/69/97/344576997.db2.gz RQMYJBRUFXYUEW-ZYHUDNBSSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@@H]1CC[N@@H+](C[C@@H](N)C2CCCC2)C1 228945547 344577000 /nfs/dbraw/zinc/57/70/00/344577000.db2.gz RQMYJBRUFXYUEW-ZYHUDNBSSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1C[N@H+](C2(C)CCC2)CCCN1 228934617 344577031 /nfs/dbraw/zinc/57/70/31/344577031.db2.gz IHYYRCGWVAAHII-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@H]1CN(C2(C)CCC2)CCC[NH2+]1 228934617 344577032 /nfs/dbraw/zinc/57/70/32/344577032.db2.gz IHYYRCGWVAAHII-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)[C@@H]1CNCC[N@H+]1C1(C)CCC1 228933978 344577050 /nfs/dbraw/zinc/57/70/50/344577050.db2.gz PVURRAJOFQTIHE-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1C[N@H+](C2(C)CCC2)CCN1 228935569 344577078 /nfs/dbraw/zinc/57/70/78/344577078.db2.gz RYBGDNNQHSOPGS-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@@H]1CN(C2(C)CCC2)CC[NH2+]1 228935569 344577080 /nfs/dbraw/zinc/57/70/80/344577080.db2.gz RYBGDNNQHSOPGS-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@H]1C[N@H+](C2(C)CCC2)CCN1 228935583 344577093 /nfs/dbraw/zinc/57/70/93/344577093.db2.gz RYBGDNNQHSOPGS-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@H]1CN(C2(C)CCC2)CC[NH2+]1 228935583 344577096 /nfs/dbraw/zinc/57/70/96/344577096.db2.gz RYBGDNNQHSOPGS-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CC1(Nc2cc[nH+]c(N)n2)CC1 228949846 344577221 /nfs/dbraw/zinc/57/72/21/344577221.db2.gz QMGAOHGTFMLCOD-UHFFFAOYSA-N 1 1 164.212 1.023 10 0 ADAEMO CS[C@@H](C)C[N@@H+]1CCNC[C@@H]1C 228952366 344577258 /nfs/dbraw/zinc/57/72/58/344577258.db2.gz RWHPCTVPPOHIHF-IUCAKERBSA-N 1 1 188.340 1.032 10 0 ADAEMO CS[C@@H](C)C[N@H+]1CCNC[C@@H]1C 228952366 344577261 /nfs/dbraw/zinc/57/72/61/344577261.db2.gz RWHPCTVPPOHIHF-IUCAKERBSA-N 1 1 188.340 1.032 10 0 ADAEMO CNc1nc(NC2(C)CC2)c(C)c[nH+]1 228950313 344577329 /nfs/dbraw/zinc/57/73/29/344577329.db2.gz OPKWGSQRPMUPLI-UHFFFAOYSA-N 1 1 192.266 1.791 10 0 ADAEMO Cc1nc(N)cc(NC2(C)CC2)[nH+]1 228949058 344577395 /nfs/dbraw/zinc/57/73/95/344577395.db2.gz BXGJHXPKEJHJQD-UHFFFAOYSA-N 1 1 178.239 1.332 10 0 ADAEMO CNc1nc(NC2(C)CC2)cc[nH+]1 228949972 344577412 /nfs/dbraw/zinc/57/74/12/344577412.db2.gz HUYAYMSAKGPCAW-UHFFFAOYSA-N 1 1 178.239 1.483 10 0 ADAEMO CC1(Nc2cc(N)[nH+]cn2)CCC1 228950554 344577474 /nfs/dbraw/zinc/57/74/74/344577474.db2.gz LKAIEVDNGVTCAH-UHFFFAOYSA-N 1 1 178.239 1.413 10 0 ADAEMO CC1(Nc2cc(N)nc[nH+]2)CCC1 228950554 344577475 /nfs/dbraw/zinc/57/74/75/344577475.db2.gz LKAIEVDNGVTCAH-UHFFFAOYSA-N 1 1 178.239 1.413 10 0 ADAEMO Cc1c(NC2(C)CC2)nc[nH+]c1N 228949122 344577521 /nfs/dbraw/zinc/57/75/21/344577521.db2.gz LIKASZGNTGJQOY-UHFFFAOYSA-N 1 1 178.239 1.332 10 0 ADAEMO Cc1c[nH+]c(N)nc1NC1(C)CC1 228949684 344577558 /nfs/dbraw/zinc/57/75/58/344577558.db2.gz YPKAGQIAKOCCPO-UHFFFAOYSA-N 1 1 178.239 1.332 10 0 ADAEMO CC1(Nc2cc[nH+]c(N)n2)CCC1 228951810 344577564 /nfs/dbraw/zinc/57/75/64/344577564.db2.gz JKGCNJJRAGMNIE-UHFFFAOYSA-N 1 1 178.239 1.413 10 0 ADAEMO Cc1c[nH+]c(N)nc1NC1(C)CCC1 228951703 344577583 /nfs/dbraw/zinc/57/75/83/344577583.db2.gz WQVFFCRUSWBKOG-UHFFFAOYSA-N 1 1 192.266 1.722 10 0 ADAEMO CC1(Nc2cncc(NN)[nH+]2)CCC1 228953757 344577592 /nfs/dbraw/zinc/57/75/92/344577592.db2.gz MWPONDWAAWDSCJ-UHFFFAOYSA-N 1 1 193.254 1.117 10 0 ADAEMO CC1(Nc2cc(N)[nH+]cn2)CC1 228948250 344577622 /nfs/dbraw/zinc/57/76/22/344577622.db2.gz MXXRSDCSJYNDFC-UHFFFAOYSA-N 1 1 164.212 1.023 10 0 ADAEMO CC1(Nc2cc(N)nc[nH+]2)CC1 228948250 344577624 /nfs/dbraw/zinc/57/76/24/344577624.db2.gz MXXRSDCSJYNDFC-UHFFFAOYSA-N 1 1 164.212 1.023 10 0 ADAEMO C[C@H]([N@H+]1CC[C@@H](N)C1)C(C)(C)C 228962548 344577824 /nfs/dbraw/zinc/57/78/24/344577824.db2.gz KVZZJCWMZIFTAL-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H](N1CC[C@@H]([NH3+])C1)C(C)(C)C 228962548 344577827 /nfs/dbraw/zinc/57/78/27/344577827.db2.gz KVZZJCWMZIFTAL-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]([N@H+]1CC[C@@H](N)C1)C(C)(C)C 228962541 344578103 /nfs/dbraw/zinc/57/81/03/344578103.db2.gz KVZZJCWMZIFTAL-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H](N1CC[C@@H]([NH3+])C1)C(C)(C)C 228962541 344578106 /nfs/dbraw/zinc/57/81/06/344578106.db2.gz KVZZJCWMZIFTAL-RKDXNWHRSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@H](C)C(C)(C)C 228978225 344578443 /nfs/dbraw/zinc/57/84/43/344578443.db2.gz DYZXPLVDFSEXCI-VHSXEESVSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1C[NH2+]CCN1[C@H](C)C(C)(C)C 228978225 344578444 /nfs/dbraw/zinc/57/84/44/344578444.db2.gz DYZXPLVDFSEXCI-VHSXEESVSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H]([N@H+]1CCC[C@@H](N)C1)C(C)(C)C 228977222 344578478 /nfs/dbraw/zinc/57/84/78/344578478.db2.gz SHVAXEWOHCCCBO-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H](N1CCC[C@@H]([NH3+])C1)C(C)(C)C 228977222 344578479 /nfs/dbraw/zinc/57/84/79/344578479.db2.gz SHVAXEWOHCCCBO-NXEZZACHSA-N 1 1 184.327 1.844 10 0 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C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCN)C1 229364891 344592550 /nfs/dbraw/zinc/59/25/50/344592550.db2.gz UIEPLNCSSNGRJP-OPRDCNLKSA-N 1 1 170.300 1.312 10 0 ADAEMO CC[C@@](C)(O)Cn1c[nH+]c(C)c1C 229399186 344593711 /nfs/dbraw/zinc/59/37/11/344593711.db2.gz GMLCGPKOCBQNSC-SNVBAGLBSA-N 1 1 182.267 1.661 10 0 ADAEMO CC[C@](C)(O)Cn1c[nH+]c(C)c1C 229399198 344593716 /nfs/dbraw/zinc/59/37/16/344593716.db2.gz GMLCGPKOCBQNSC-JTQLQIEISA-N 1 1 182.267 1.661 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@H+](C2CNC2)[C@@H]1C 229421439 344594125 /nfs/dbraw/zinc/59/41/25/344594125.db2.gz MZKLUXDQRUZNQQ-KXUCPTDWSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+](C2CNC2)[C@@H]1C 229421439 344594126 /nfs/dbraw/zinc/59/41/26/344594126.db2.gz MZKLUXDQRUZNQQ-KXUCPTDWSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](C2CNC2)C1 229421419 344594334 /nfs/dbraw/zinc/59/43/34/344594334.db2.gz MZKLUXDQRUZNQQ-OPRDCNLKSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](C2CNC2)C1 229421419 344594338 /nfs/dbraw/zinc/59/43/38/344594338.db2.gz MZKLUXDQRUZNQQ-OPRDCNLKSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@]1(Nc2ccc(N)c[nH+]2)CCOC1 229443667 344595914 /nfs/dbraw/zinc/59/59/14/344595914.db2.gz UTHNVECTQAIRGI-SNVBAGLBSA-N 1 1 193.250 1.255 10 0 ADAEMO C[C@]1(Nc2ccc(N)c[nH+]2)CCOC1 229443658 344595978 /nfs/dbraw/zinc/59/59/78/344595978.db2.gz UTHNVECTQAIRGI-JTQLQIEISA-N 1 1 193.250 1.255 10 0 ADAEMO Cc1cccc(N[C@@]2(C)CCOC2)[nH+]1 229478007 344597382 /nfs/dbraw/zinc/59/73/82/344597382.db2.gz AWGQCRBUPZEITE-NSHDSACASA-N 1 1 192.262 1.981 10 0 ADAEMO CCC1([N@H+]2CC[C@H](N)C2)CCC1 229500648 344598827 /nfs/dbraw/zinc/59/88/27/344598827.db2.gz RSFAHLIXVUDWCX-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO CCC1([N@H+]2CC[C@@H](N)C2)CCC1 229500635 344598877 /nfs/dbraw/zinc/59/88/77/344598877.db2.gz RSFAHLIXVUDWCX-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CCC1([N@@H+]2CCC(=O)C2)CCC1 229500263 344598943 /nfs/dbraw/zinc/59/89/43/344598943.db2.gz VDSYZPAXWAYNRY-UHFFFAOYSA-N 1 1 167.252 1.594 10 0 ADAEMO C/C=C/C[N@H+]1CCC(=O)[C@@H](C)C1 229511881 344599425 /nfs/dbraw/zinc/59/94/25/344599425.db2.gz UTYMBKWDGMURGO-NWALNABHSA-N 1 1 167.252 1.473 10 0 ADAEMO C/C=C/C[N@@H+]1CCC(=O)[C@H](C)C1 229511894 344599439 /nfs/dbraw/zinc/59/94/39/344599439.db2.gz UTYMBKWDGMURGO-CDAZIORVSA-N 1 1 167.252 1.473 10 0 ADAEMO C/C=C/C[N@H+]1CCC(=O)[C@H](C)C1 229511894 344599440 /nfs/dbraw/zinc/59/94/40/344599440.db2.gz UTYMBKWDGMURGO-CDAZIORVSA-N 1 1 167.252 1.473 10 0 ADAEMO Cc1ccoc1[C@@H]1[NH2+]CCS1 229538962 344600923 /nfs/dbraw/zinc/60/09/23/344600923.db2.gz UYHVLEYVTHGZSF-MRVPVSSYSA-N 1 1 169.249 1.923 10 0 ADAEMO Cc1ccoc1[C@H]1[NH2+]CCS1 229538972 344601247 /nfs/dbraw/zinc/60/12/47/344601247.db2.gz UYHVLEYVTHGZSF-QMMMGPOBSA-N 1 1 169.249 1.923 10 0 ADAEMO CCC1([N@H+]2CCCNCC2)CCC1 229541786 344601756 /nfs/dbraw/zinc/60/17/56/344601756.db2.gz YTJWIYXEMGXFLL-UHFFFAOYSA-N 1 1 182.311 1.614 10 0 ADAEMO CCC1([N@H+]2CCC[C@H](N)C2)CCC1 229558315 344603198 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ADAEMO CCC1([N@H+]2CCN[C@@H](C)C2)CCC1 229561045 344603877 /nfs/dbraw/zinc/60/38/77/344603877.db2.gz MKQYDJCVQIYRMZ-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO Cc1cc(NCc2cnc[nH]2)cc[nH+]1 229569307 344605421 /nfs/dbraw/zinc/60/54/21/344605421.db2.gz SALQYSCMWZOQGZ-UHFFFAOYSA-N 1 1 188.234 1.725 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@@H](O)[C@@H](C)C1 229572680 344605821 /nfs/dbraw/zinc/60/58/21/344605821.db2.gz YZDMZRJVROFSED-GXSJLCMTSA-N 1 1 185.311 1.878 10 0 ADAEMO CCC(CC)[N@H+]1CC[C@H](O)[C@@H](C)C1 229572689 344605877 /nfs/dbraw/zinc/60/58/77/344605877.db2.gz YZDMZRJVROFSED-ONGXEEELSA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC(F)F 229601295 344607020 /nfs/dbraw/zinc/60/70/20/344607020.db2.gz QLRBZWJOKXVLIU-SFYZADRCSA-N 1 1 192.253 1.181 10 0 ADAEMO CC[C@@H]1CCC[C@H]1[NH+]1CC(N)C1 229657328 344609083 /nfs/dbraw/zinc/60/90/83/344609083.db2.gz QXOFLOVYFQQLIP-PSASIEDQSA-N 1 1 168.284 1.208 10 0 ADAEMO CC[C@H]1CCC[C@@H]1[NH+]1CC(N)C1 229657320 344609222 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RZTRIEDLVFQBAA-MNOVXSKESA-N 1 1 180.295 1.518 10 0 ADAEMO C[C@H]1CCc2nc([C@@H](C)[NH3+])[nH]c21 230369628 344632270 /nfs/dbraw/zinc/63/22/70/344632270.db2.gz AHFGIHAJQTXROA-NTSWFWBYSA-N 1 1 165.240 1.479 10 0 ADAEMO C[C@H]1CN[C@H](C)C[N@H+]1[C@@H]1C=CCCC1 230362212 344632326 /nfs/dbraw/zinc/63/23/26/344632326.db2.gz DQLASAOROOKTLX-GRYCIOLGSA-N 1 1 194.322 1.777 10 0 ADAEMO C[C@H]1CN[C@H](C)C[N@@H+]1[C@@H]1C=CCCC1 230362212 344632329 /nfs/dbraw/zinc/63/23/29/344632329.db2.gz DQLASAOROOKTLX-GRYCIOLGSA-N 1 1 194.322 1.777 10 0 ADAEMO CC[C@@H]([NH3+])c1nc2c([nH]1)[C@H](C)CC2 230370017 344632350 /nfs/dbraw/zinc/63/23/50/344632350.db2.gz GEHWPFZWLSWGEV-RNFRBKRXSA-N 1 1 179.267 1.869 10 0 ADAEMO C[C@H]([NH3+])c1nc2c([nH]1)[C@@H](C)CC2 230369629 344632383 /nfs/dbraw/zinc/63/23/83/344632383.db2.gz AHFGIHAJQTXROA-WDSKDSINSA-N 1 1 165.240 1.479 10 0 ADAEMO C[C@H]1CCc2[nH]c([C@H]3CC[NH2+]C3)nc21 230370039 344632368 /nfs/dbraw/zinc/63/23/68/344632368.db2.gz VKOCLCLIMPHFGN-YUMQZZPRSA-N 1 1 191.278 1.536 10 0 ADAEMO C[C@@H]1CCc2[nH]c([C@H]3CC[NH2+]C3)nc21 230370037 344632406 /nfs/dbraw/zinc/63/24/06/344632406.db2.gz VKOCLCLIMPHFGN-SFYZADRCSA-N 1 1 191.278 1.536 10 0 ADAEMO C[NH2+]C(C)(C)c1nc2c([nH]1)[C@H](C)CC2 230370237 344632417 /nfs/dbraw/zinc/63/24/17/344632417.db2.gz FTAJMKDVPPFBMU-SSDOTTSWSA-N 1 1 193.294 1.914 10 0 ADAEMO CC[C@H]1CCc2nc([C@H](C)[NH3+])[nH]c21 230372856 344632852 /nfs/dbraw/zinc/63/28/52/344632852.db2.gz QHLBUUVLDYGOSS-BQBZGAKWSA-N 1 1 179.267 1.869 10 0 ADAEMO CC[C@@H]([NH3+])c1nc2c([nH]1)[C@H](C)OC2 230371311 344632617 /nfs/dbraw/zinc/63/26/17/344632617.db2.gz SJNJLHJZAPYEBU-NTSWFWBYSA-N 1 1 181.239 1.411 10 0 ADAEMO CC[C@H]1CCc2nc(C[NH3+])[nH]c21 230372948 344632647 /nfs/dbraw/zinc/63/26/47/344632647.db2.gz HIAKYQKVAFEIBV-LURJTMIESA-N 1 1 165.240 1.308 10 0 ADAEMO CCc1[nH]c([C@@H]2CC[NH2+]C2)nc1C 230370874 344632689 /nfs/dbraw/zinc/63/26/89/344632689.db2.gz AOSLRIITIOMSMR-MRVPVSSYSA-N 1 1 179.267 1.357 10 0 ADAEMO C[C@H]([NH3+])c1nc2c([nH]1)[C@@H](C)OC2 230370972 344632710 /nfs/dbraw/zinc/63/27/10/344632710.db2.gz IYGMLAKLIJMVKO-CRCLSJGQSA-N 1 1 167.212 1.021 10 0 ADAEMO CC[C@H]([NH3+])c1nc2c([nH]1)[C@H](C)OC2 230371525 344632756 /nfs/dbraw/zinc/63/27/56/344632756.db2.gz SJNJLHJZAPYEBU-WDSKDSINSA-N 1 1 181.239 1.411 10 0 ADAEMO FC(F)(F)c1cnc(C2C[NH2+]C2)[nH]1 230371979 344632791 /nfs/dbraw/zinc/63/27/91/344632791.db2.gz GAFKZGHNAFNSGI-UHFFFAOYSA-N 1 1 191.156 1.115 10 0 ADAEMO C[C@@H]1OCc2nc([C@@H]3CCC[NH2+]3)[nH]c21 230371349 344632800 /nfs/dbraw/zinc/63/28/00/344632800.db2.gz RFEYSTGVNBGYGJ-BQBZGAKWSA-N 1 1 193.250 1.425 10 0 ADAEMO C[C@H]1OCc2nc([C@@H]3CCC[NH2+]3)[nH]c21 230371352 344632803 /nfs/dbraw/zinc/63/28/03/344632803.db2.gz RFEYSTGVNBGYGJ-RQJHMYQMSA-N 1 1 193.250 1.425 10 0 ADAEMO CC[C@H]([NH3+])c1nc2c([nH]1)[C@@H](C)OC2 230371522 344632817 /nfs/dbraw/zinc/63/28/17/344632817.db2.gz SJNJLHJZAPYEBU-RITPCOANSA-N 1 1 181.239 1.411 10 0 ADAEMO C[C@@H]1OCc2nc(C(C)(C)[NH3+])[nH]c21 230371274 344632823 /nfs/dbraw/zinc/63/28/23/344632823.db2.gz RVVVKKUVKGMJAA-YFKPBYRVSA-N 1 1 181.239 1.195 10 0 ADAEMO CC[C@@H]1CCc2nc(C[NH3+])[nH]c21 230372945 344632859 /nfs/dbraw/zinc/63/28/59/344632859.db2.gz HIAKYQKVAFEIBV-ZCFIWIBFSA-N 1 1 165.240 1.308 10 0 ADAEMO C[C@H]([NH3+])c1nc2c([nH]1)[C@H](C)OC2 230370974 344632870 /nfs/dbraw/zinc/63/28/70/344632870.db2.gz IYGMLAKLIJMVKO-WHFBIAKZSA-N 1 1 167.212 1.021 10 0 ADAEMO C[C@@H]1OCc2nc([C@@H](C)[NH3+])[nH]c21 230370973 344632894 /nfs/dbraw/zinc/63/28/94/344632894.db2.gz IYGMLAKLIJMVKO-UHNVWZDZSA-N 1 1 167.212 1.021 10 0 ADAEMO CC[C@@H]1CCc2nc([C@H](C)[NH3+])[nH]c21 230372854 344632908 /nfs/dbraw/zinc/63/29/08/344632908.db2.gz QHLBUUVLDYGOSS-NKWVEPMBSA-N 1 1 179.267 1.869 10 0 ADAEMO C[C@H]1OCc2nc(C(C)(C)[NH3+])[nH]c21 230371277 344632955 /nfs/dbraw/zinc/63/29/55/344632955.db2.gz RVVVKKUVKGMJAA-RXMQYKEDSA-N 1 1 181.239 1.195 10 0 ADAEMO CCc1[nH]c([C@H]2CC[NH2+]C2)nc1C 230370876 344632968 /nfs/dbraw/zinc/63/29/68/344632968.db2.gz AOSLRIITIOMSMR-QMMMGPOBSA-N 1 1 179.267 1.357 10 0 ADAEMO C[C@@H]([NH3+])c1nc2c([nH]1)[C@@H](C)OC2 230370971 344632994 /nfs/dbraw/zinc/63/29/94/344632994.db2.gz IYGMLAKLIJMVKO-RFZPGFLSSA-N 1 1 167.212 1.021 10 0 ADAEMO CCc1[nH]c(C(C)(C)[NH3+])nc1C 230370797 344633034 /nfs/dbraw/zinc/63/30/34/344633034.db2.gz IHHVRNTZMZJHQX-UHFFFAOYSA-N 1 1 167.256 1.474 10 0 ADAEMO CC[C@@H]1CCc2nc([C@@H](C)[NH3+])[nH]c21 230372849 344633050 /nfs/dbraw/zinc/63/30/50/344633050.db2.gz QHLBUUVLDYGOSS-RNFRBKRXSA-N 1 1 179.267 1.869 10 0 ADAEMO CC[C@@H]([NH3+])c1nc2c([nH]1)[C@@H](C)OC2 230371309 344633060 /nfs/dbraw/zinc/63/30/60/344633060.db2.gz SJNJLHJZAPYEBU-PHDIDXHHSA-N 1 1 181.239 1.411 10 0 ADAEMO CCc1[nH]c([C@](C)([NH3+])CC)nc1C 230370965 344633097 /nfs/dbraw/zinc/63/30/97/344633097.db2.gz QMMBELQNGRXAAN-SNVBAGLBSA-N 1 1 181.283 1.864 10 0 ADAEMO CCc1[nH]c([C@@](C)([NH3+])CC)nc1C 230370963 344633130 /nfs/dbraw/zinc/63/31/30/344633130.db2.gz QMMBELQNGRXAAN-JTQLQIEISA-N 1 1 181.283 1.864 10 0 ADAEMO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](N)C2)C1 230427441 344636007 /nfs/dbraw/zinc/63/60/07/344636007.db2.gz FHTLMYJNDICGLB-GMTAPVOTSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1CC[C@@H](C[N@@H+]2CCC(=O)C2)C1 230427201 344636025 /nfs/dbraw/zinc/63/60/25/344636025.db2.gz RDVUXNXCSCKKED-VHSXEESVSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@H]1CC[C@@H](C[N@H+]2CCC(=O)C2)C1 230427201 344636028 /nfs/dbraw/zinc/63/60/28/344636028.db2.gz RDVUXNXCSCKKED-VHSXEESVSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](N)C2)C1 230427448 344636077 /nfs/dbraw/zinc/63/60/77/344636077.db2.gz FHTLMYJNDICGLB-OUAUKWLOSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1CC[C@H](C[N@@H+]2CCC(=O)C2)C1 230427207 344636129 /nfs/dbraw/zinc/63/61/29/344636129.db2.gz RDVUXNXCSCKKED-UWVGGRQHSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@H]1CC[C@H](C[N@H+]2CCC(=O)C2)C1 230427207 344636132 /nfs/dbraw/zinc/63/61/32/344636132.db2.gz RDVUXNXCSCKKED-UWVGGRQHSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@@H]1CC[C@@H](C[N@@H+]2CCC(=O)C2)C1 230427199 344636210 /nfs/dbraw/zinc/63/62/10/344636210.db2.gz RDVUXNXCSCKKED-NXEZZACHSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@@H]1CC[C@@H](C[N@H+]2CCC(=O)C2)C1 230427199 344636212 /nfs/dbraw/zinc/63/62/12/344636212.db2.gz RDVUXNXCSCKKED-NXEZZACHSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@@H]1CC[C@H](C[N@@H+]2CCC(=O)C2)C1 230427204 344636218 /nfs/dbraw/zinc/63/62/18/344636218.db2.gz RDVUXNXCSCKKED-ZJUUUORDSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@@H]1CC[C@H](C[N@H+]2CCC(=O)C2)C1 230427204 344636219 /nfs/dbraw/zinc/63/62/19/344636219.db2.gz RDVUXNXCSCKKED-ZJUUUORDSA-N 1 1 181.279 1.697 10 0 ADAEMO Cc1ccc(N2CC[C@@](C)(O)C2)[nH+]c1 230476536 344636780 /nfs/dbraw/zinc/63/67/80/344636780.db2.gz KNWIHFDGGYATNW-LLVKDONJSA-N 1 1 192.262 1.351 10 0 ADAEMO COC1CC(Nc2cc(C)cc[nH+]2)C1 230599279 344637422 /nfs/dbraw/zinc/63/74/22/344637422.db2.gz QLTDQSFQFMFWKX-UHFFFAOYSA-N 1 1 192.262 1.979 10 0 ADAEMO C[C@H]1C[N@@H+](C[C@H]2CC[C@@H](C)C2)CCN1 230577207 344637472 /nfs/dbraw/zinc/63/74/72/344637472.db2.gz RNUWUBYORMNSLN-WOPDTQHZSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@H]1CN(C[C@H]2CC[C@@H](C)C2)CC[NH2+]1 230577207 344637474 /nfs/dbraw/zinc/63/74/74/344637474.db2.gz RNUWUBYORMNSLN-WOPDTQHZSA-N 1 1 196.338 1.716 10 0 ADAEMO CCc1nc(N2CCCC2)cc(C)[nH+]1 230598771 344637583 /nfs/dbraw/zinc/63/75/83/344637583.db2.gz GUSOVWRYHJADMZ-UHFFFAOYSA-N 1 1 191.278 1.948 10 0 ADAEMO C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](C)C2)CCN1 230577144 344637601 /nfs/dbraw/zinc/63/76/01/344637601.db2.gz RNUWUBYORMNSLN-GRYCIOLGSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@H]1CN(C[C@@H]2CC[C@@H](C)C2)CC[NH2+]1 230577144 344637603 /nfs/dbraw/zinc/63/76/03/344637603.db2.gz RNUWUBYORMNSLN-GRYCIOLGSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](CO)C2)C1 230567489 344637633 /nfs/dbraw/zinc/63/76/33/344637633.db2.gz FHPAXRLGJRNEPY-IJLUTSLNSA-N 1 1 197.322 1.737 10 0 ADAEMO C[C@@H]1CCC[C@@H]1C[N@@H+]1CCC(=O)C1 230685818 344639401 /nfs/dbraw/zinc/63/94/01/344639401.db2.gz GIECNWMXSFGCTM-NXEZZACHSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@@H]1CCC[C@@H]1C[N@H+]1CCC(=O)C1 230685818 344639403 /nfs/dbraw/zinc/63/94/03/344639403.db2.gz GIECNWMXSFGCTM-NXEZZACHSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@H]1CCC[C@@H]1C[N@@H+]1CCC(=O)C1 230685821 344639442 /nfs/dbraw/zinc/63/94/42/344639442.db2.gz GIECNWMXSFGCTM-VHSXEESVSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@H]1CCC[C@@H]1C[N@H+]1CCC(=O)C1 230685821 344639444 /nfs/dbraw/zinc/63/94/44/344639444.db2.gz GIECNWMXSFGCTM-VHSXEESVSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@@H]1CCC[C@H]1C[N@H+]1CC[C@@H](N)C1 230686129 344639499 /nfs/dbraw/zinc/63/94/99/344639499.db2.gz AVSPBSDTAIMTTL-OUAUKWLOSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1CCC[C@@H]1C[N@H+]1CC[C@@H](N)C1 230686124 344639569 /nfs/dbraw/zinc/63/95/69/344639569.db2.gz AVSPBSDTAIMTTL-GMTAPVOTSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1CCC[C@H]1C[N@@H+]1CCC(=O)C1 230685823 344639681 /nfs/dbraw/zinc/63/96/81/344639681.db2.gz GIECNWMXSFGCTM-ZJUUUORDSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@@H]1CCC[C@H]1C[N@H+]1CCC(=O)C1 230685823 344639682 /nfs/dbraw/zinc/63/96/82/344639682.db2.gz GIECNWMXSFGCTM-ZJUUUORDSA-N 1 1 181.279 1.697 10 0 ADAEMO C[C@H]1CCC[C@@H]1C[N@H+]1CCCNCC1 230712677 344639954 /nfs/dbraw/zinc/63/99/54/344639954.db2.gz OSWIJXJHHITBTH-NWDGAFQWSA-N 1 1 196.338 1.718 10 0 ADAEMO C[C@H]1CCC[C@@H]1CN1CCC[NH2+]CC1 230712677 344639956 /nfs/dbraw/zinc/63/99/56/344639956.db2.gz OSWIJXJHHITBTH-NWDGAFQWSA-N 1 1 196.338 1.718 10 0 ADAEMO C[C@@H]1CCC[C@H]1C[N@H+]1CCCNCC1 230712680 344639975 /nfs/dbraw/zinc/63/99/75/344639975.db2.gz OSWIJXJHHITBTH-NEPJUHHUSA-N 1 1 196.338 1.718 10 0 ADAEMO C[C@@H]1CCC[C@H]1CN1CCC[NH2+]CC1 230712680 344639978 /nfs/dbraw/zinc/63/99/78/344639978.db2.gz OSWIJXJHHITBTH-NEPJUHHUSA-N 1 1 196.338 1.718 10 0 ADAEMO C[C@@H]1CCC[C@@H]1C[N@H+]1CCCNCC1 230712675 344640092 /nfs/dbraw/zinc/64/00/92/344640092.db2.gz OSWIJXJHHITBTH-VXGBXAGGSA-N 1 1 196.338 1.718 10 0 ADAEMO C[C@@H]1CCC[C@@H]1CN1CCC[NH2+]CC1 230712675 344640094 /nfs/dbraw/zinc/64/00/94/344640094.db2.gz OSWIJXJHHITBTH-VXGBXAGGSA-N 1 1 196.338 1.718 10 0 ADAEMO C[C@H]1CCC[C@H]1C[N@H+]1CCCNCC1 230712683 344640133 /nfs/dbraw/zinc/64/01/33/344640133.db2.gz OSWIJXJHHITBTH-RYUDHWBXSA-N 1 1 196.338 1.718 10 0 ADAEMO C[C@H]1CCC[C@H]1CN1CCC[NH2+]CC1 230712683 344640135 /nfs/dbraw/zinc/64/01/35/344640135.db2.gz OSWIJXJHHITBTH-RYUDHWBXSA-N 1 1 196.338 1.718 10 0 ADAEMO CC[C@H]1CC[NH2+][C@@H](c2ncno2)C1 230717027 344640444 /nfs/dbraw/zinc/64/04/44/344640444.db2.gz SPDGUBNWVMQXFA-JGVFFNPUSA-N 1 1 181.239 1.520 10 0 ADAEMO C[C@@H]1CCC[C@H]1C[N@H+]1CC[C@@H](CO)C1 230716344 344640455 /nfs/dbraw/zinc/64/04/55/344640455.db2.gz QPGUGFMNPMKMNB-UTUOFQBUSA-N 1 1 197.322 1.737 10 0 ADAEMO C[C@H]1CC[NH2+][C@@H](c2ncno2)C1 230717004 344640475 /nfs/dbraw/zinc/64/04/75/344640475.db2.gz FQFPCHNBSCFASZ-NKWVEPMBSA-N 1 1 167.212 1.130 10 0 ADAEMO C[C@@H]1CCC[C@@H]1C[N@H+]1CC[C@@H](CO)C1 230716338 344640485 /nfs/dbraw/zinc/64/04/85/344640485.db2.gz QPGUGFMNPMKMNB-IJLUTSLNSA-N 1 1 197.322 1.737 10 0 ADAEMO C[C@H]1CC[NH2+][C@H](c2ncno2)C1 230717009 344640521 /nfs/dbraw/zinc/64/05/21/344640521.db2.gz FQFPCHNBSCFASZ-BQBZGAKWSA-N 1 1 167.212 1.130 10 0 ADAEMO C[C@@]1(c2ncno2)CCCC[NH2+]1 230716860 344640553 /nfs/dbraw/zinc/64/05/53/344640553.db2.gz JVZQROPYXKYFHK-QMMMGPOBSA-N 1 1 167.212 1.058 10 0 ADAEMO CC[C@@H]1CC[NH2+][C@H](c2ncno2)C1 230717029 344640573 /nfs/dbraw/zinc/64/05/73/344640573.db2.gz SPDGUBNWVMQXFA-SFYZADRCSA-N 1 1 181.239 1.520 10 0 ADAEMO CC[C@H]1CC[NH2+][C@H](c2ncno2)C1 230717030 344640578 /nfs/dbraw/zinc/64/05/78/344640578.db2.gz SPDGUBNWVMQXFA-YUMQZZPRSA-N 1 1 181.239 1.520 10 0 ADAEMO C[C@@H]1CC[NH2+][C@H](c2ncno2)C1 230717006 344640619 /nfs/dbraw/zinc/64/06/19/344640619.db2.gz FQFPCHNBSCFASZ-RQJHMYQMSA-N 1 1 167.212 1.130 10 0 ADAEMO C[C@@H]1CC[NH2+][C@@H](c2ncno2)C1 230717002 344640681 /nfs/dbraw/zinc/64/06/81/344640681.db2.gz FQFPCHNBSCFASZ-RNFRBKRXSA-N 1 1 167.212 1.130 10 0 ADAEMO CC[C@@H]1CC[NH2+][C@@H](c2ncno2)C1 230717024 344640698 /nfs/dbraw/zinc/64/06/98/344640698.db2.gz 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1.764 10 0 ADAEMO CCC[N@H+]1CC[C@@H](N)[C@H]1c1ccco1 249885717 344827913 /nfs/dbraw/zinc/82/79/13/344827913.db2.gz GMGWKFAOPQGENM-KOLCDFICSA-N 1 1 194.278 1.764 10 0 ADAEMO CCC[N@H+]1C[C@H](C(C)C)NC[C@H]1C 249860794 344827946 /nfs/dbraw/zinc/82/79/46/344827946.db2.gz AFCBABMFEUWHQN-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CCCN1C[C@H](C(C)C)[NH2+]C[C@H]1C 249860794 344827949 /nfs/dbraw/zinc/82/79/49/344827949.db2.gz AFCBABMFEUWHQN-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[N@H+]1C[C@@](C)(C2CC2)NC[C@H]1C 249884852 344827977 /nfs/dbraw/zinc/82/79/77/344827977.db2.gz GJIJLGYZYUMLGP-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CCCN1C[C@@](C)(C2CC2)[NH2+]C[C@H]1C 249884852 344827978 /nfs/dbraw/zinc/82/79/78/344827978.db2.gz GJIJLGYZYUMLGP-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@@H+](C)C[C@@H]1C[C@@H](C)CC[C@H]1O 249885042 344827997 /nfs/dbraw/zinc/82/79/97/344827997.db2.gz BUVWEJGJSLSTEO-GARJFASQSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@H]1O 249885049 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CC[N@@H+](C(C)C)[C@H]1CNCC[C@H]1C 249987541 344828729 /nfs/dbraw/zinc/82/87/29/344828729.db2.gz MLBZLODFCJVFMA-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC[N@@H+](C(C)C)[C@@H]1CCCC[C@H]1N 249914266 344828751 /nfs/dbraw/zinc/82/87/51/344828751.db2.gz JKYRLRJKMJMDAA-GHMZBOCLSA-N 1 1 184.327 1.987 10 0 ADAEMO CCC[N@H+]1C[C@](C)(CC)NC[C@H]1C 249969458 344828771 /nfs/dbraw/zinc/82/87/71/344828771.db2.gz KRDMIXCCSJDPDW-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CCCN1C[C@](C)(CC)[NH2+]C[C@H]1C 249969458 344828772 /nfs/dbraw/zinc/82/87/72/344828772.db2.gz KRDMIXCCSJDPDW-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CCCC[N@H+]1C[C@H](C)NCC[C@H]1C 249907192 344828782 /nfs/dbraw/zinc/82/87/82/344828782.db2.gz YVXUXOCVISJLGB-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[N@H+](C1CNC1)[C@@H]1CCCC[C@H]1C 249901518 344828798 /nfs/dbraw/zinc/82/87/98/344828798.db2.gz GJXNBFJJDDMUCD-ZYHUDNBSSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@@H+](C1CNC1)[C@@H]1CCCC[C@H]1C 249901518 344828799 /nfs/dbraw/zinc/82/87/99/344828799.db2.gz GJXNBFJJDDMUCD-ZYHUDNBSSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@@H+](C(C)C)[C@H]1CCCC[C@H]1N 249914270 344828828 /nfs/dbraw/zinc/82/88/28/344828828.db2.gz JKYRLRJKMJMDAA-MNOVXSKESA-N 1 1 184.327 1.987 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCCCCC[C@H]1N 249988599 344828835 /nfs/dbraw/zinc/82/88/35/344828835.db2.gz MQJFGTUQYVMDLV-GHMZBOCLSA-N 1 1 184.327 1.988 10 0 ADAEMO CCN(C)[C@@H]1CCCCCC[C@H]1[NH3+] 249988599 344828836 /nfs/dbraw/zinc/82/88/36/344828836.db2.gz MQJFGTUQYVMDLV-GHMZBOCLSA-N 1 1 184.327 1.988 10 0 ADAEMO CCC[N@H+]1C[C@H](C2CC2)NC[C@H]1C 249979624 344828857 /nfs/dbraw/zinc/82/88/57/344828857.db2.gz LZAWWRVGEAADLP-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CCCN1C[C@H](C2CC2)[NH2+]C[C@H]1C 249979624 344828859 /nfs/dbraw/zinc/82/88/59/344828859.db2.gz LZAWWRVGEAADLP-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[N@@H+](C)[C@H]1Cc2ccccc2[C@H]1N 249904021 344828867 /nfs/dbraw/zinc/82/88/67/344828867.db2.gz GYHNZOWFUGYSQN-NWDGAFQWSA-N 1 1 190.290 1.563 10 0 ADAEMO CCN(C)[C@H]1Cc2ccccc2[C@H]1[NH3+] 249904021 344828869 /nfs/dbraw/zinc/82/88/69/344828869.db2.gz GYHNZOWFUGYSQN-NWDGAFQWSA-N 1 1 190.290 1.563 10 0 ADAEMO CC[N@@H+](C)[C@@H]1Cc2ccccc2[C@H]1N 249904025 344828879 /nfs/dbraw/zinc/82/88/79/344828879.db2.gz GYHNZOWFUGYSQN-VXGBXAGGSA-N 1 1 190.290 1.563 10 0 ADAEMO CCN(C)[C@@H]1Cc2ccccc2[C@H]1[NH3+] 249904025 344828880 /nfs/dbraw/zinc/82/88/80/344828880.db2.gz GYHNZOWFUGYSQN-VXGBXAGGSA-N 1 1 190.290 1.563 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1CCC[C@H]1N 249902879 344828906 /nfs/dbraw/zinc/82/89/06/344828906.db2.gz GRUPAYIRKURPQG-NXEZZACHSA-N 1 1 168.284 1.351 10 0 ADAEMO CCN(C1CC1)[C@@H]1CCC[C@H]1[NH3+] 249902879 344828907 /nfs/dbraw/zinc/82/89/07/344828907.db2.gz GRUPAYIRKURPQG-NXEZZACHSA-N 1 1 168.284 1.351 10 0 ADAEMO CCC[N@H+]1C[C@@](C)(CC)NC[C@H]1C 249969450 344828912 /nfs/dbraw/zinc/82/89/12/344828912.db2.gz KRDMIXCCSJDPDW-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CCCN1C[C@@](C)(CC)[NH2+]C[C@H]1C 249969450 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250072456 344829177 /nfs/dbraw/zinc/82/91/77/344829177.db2.gz ZGHKKIBMJBJXOY-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1CCCC[C@H]1N 250024917 344829179 /nfs/dbraw/zinc/82/91/79/344829179.db2.gz OQOCRXAMNMCQMX-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCCN(C)[C@@H]1CCCC[C@H]1[NH3+] 250024917 344829181 /nfs/dbraw/zinc/82/91/81/344829181.db2.gz OQOCRXAMNMCQMX-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[N@H+]1C[C@@H](C)NCC[C@H]1C 250053436 344829197 /nfs/dbraw/zinc/82/91/97/344829197.db2.gz WNFAGBKHNATBQP-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CCC[N@H+]1CCCN2CCCC[C@H]2C1 250042385 344829222 /nfs/dbraw/zinc/82/92/22/344829222.db2.gz UTGUQCZEFBEUDG-LBPRGKRZSA-N 1 1 196.338 1.957 10 0 ADAEMO CCCN1CCC[N@@H+]2CCCC[C@H]2C1 250042385 344829223 /nfs/dbraw/zinc/82/92/23/344829223.db2.gz UTGUQCZEFBEUDG-LBPRGKRZSA-N 1 1 196.338 1.957 10 0 ADAEMO CCCN1CCC[N@H+]2CCCC[C@H]2C1 250042385 344829225 /nfs/dbraw/zinc/82/92/25/344829225.db2.gz UTGUQCZEFBEUDG-LBPRGKRZSA-N 1 1 196.338 1.957 10 0 ADAEMO CCC[N@@H+](C)[C@H]1CCC(C)(C)[C@H]1N 250008025 344829241 /nfs/dbraw/zinc/82/92/41/344829241.db2.gz JQWXHQWVINTDMV-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO CCCN(C)[C@H]1CCC(C)(C)[C@H]1[NH3+] 250008025 344829243 /nfs/dbraw/zinc/82/92/43/344829243.db2.gz JQWXHQWVINTDMV-UWVGGRQHSA-N 1 1 184.327 1.844 10 0 ADAEMO CCC[N@@H+](C)[C@@H](C)[C@H](C)N 250020707 344829247 /nfs/dbraw/zinc/82/92/47/344829247.db2.gz NIBZCFUYLOWTPS-YUMQZZPRSA-N 1 1 144.262 1.064 10 0 ADAEMO CCCN(C)[C@@H](C)[C@H](C)[NH3+] 250020707 344829249 /nfs/dbraw/zinc/82/92/49/344829249.db2.gz NIBZCFUYLOWTPS-YUMQZZPRSA-N 1 1 144.262 1.064 10 0 ADAEMO CCC[N@H+]1C[C@H](C)NCC[C@H]1C 250053437 344829258 /nfs/dbraw/zinc/82/92/58/344829258.db2.gz WNFAGBKHNATBQP-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CCCN1C[C@H](C)[NH2+]CC[C@H]1C 250053437 344829259 /nfs/dbraw/zinc/82/92/59/344829259.db2.gz WNFAGBKHNATBQP-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[N@H+](C)[C@@H]1CCC(C)(C)[C@H]1N 250058619 344829305 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CXEMQRMRMOTWDB-KKOKHZNYSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H](C)C2CC2)CCC1=O 251751242 344870573 /nfs/dbraw/zinc/87/05/73/344870573.db2.gz LIPLKEJIKOUMOZ-RKDXNWHRSA-N 1 1 181.279 1.696 10 0 ADAEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1[C@H](C)N 251747217 344870583 /nfs/dbraw/zinc/87/05/83/344870583.db2.gz GRFPZQBPDJZLGF-GARJFASQSA-N 1 1 184.327 1.987 10 0 ADAEMO CC(=O)[C@@H](C)[N@@H+]1CCSC[C@H]1C 251754222 344870613 /nfs/dbraw/zinc/87/06/13/344870613.db2.gz LLSQGAGSRMMLCE-HTQZYQBOSA-N 1 1 187.308 1.401 10 0 ADAEMO CC(=O)[C@@H](C)[N@H+]1CCSC[C@H]1C 251754222 344870614 /nfs/dbraw/zinc/87/06/14/344870614.db2.gz LLSQGAGSRMMLCE-HTQZYQBOSA-N 1 1 187.308 1.401 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](C)C[C@H](N)C1 251753425 344870679 /nfs/dbraw/zinc/87/06/79/344870679.db2.gz HCYFIFSMQHDCJI-GUBZILKMSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)N1C[C@@H](C)C[C@H]([NH3+])C1 251753425 344870680 /nfs/dbraw/zinc/87/06/80/344870680.db2.gz HCYFIFSMQHDCJI-GUBZILKMSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](C)C[C@@H](N)C1 251753428 344870813 /nfs/dbraw/zinc/87/08/13/344870813.db2.gz HCYFIFSMQHDCJI-KXUCPTDWSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)N1C[C@H](C)C[C@@H]([NH3+])C1 251753428 344870816 /nfs/dbraw/zinc/87/08/16/344870816.db2.gz HCYFIFSMQHDCJI-KXUCPTDWSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)[N@H+]1CCCC[C@H]1[C@@H](C)N 251747212 344870826 /nfs/dbraw/zinc/87/08/26/344870826.db2.gz GRFPZQBPDJZLGF-AXFHLTTASA-N 1 1 184.327 1.987 10 0 ADAEMO CC(=O)[C@@H](C)[N@H+]1CC[C@H](C)C1 251763581 344871209 /nfs/dbraw/zinc/87/12/09/344871209.db2.gz UJTZXWNKVIMEOT-JGVFFNPUSA-N 1 1 155.241 1.306 10 0 ADAEMO CC[C@@H](C)[N@H+](C)[C@H]1CCCNC1 251761163 344871280 /nfs/dbraw/zinc/87/12/80/344871280.db2.gz HPRAPIDTOKYMEE-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H](C)[N@@H+](C)[C@H]1CCCNC1 251761163 344871281 /nfs/dbraw/zinc/87/12/81/344871281.db2.gz HPRAPIDTOKYMEE-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H]1C[N@@H+](C)[C@H]([C@H](C)CC)CN1 251758902 344871285 /nfs/dbraw/zinc/87/12/85/344871285.db2.gz LUQWBKNJJWQYPS-MXWKQRLJSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H]1CN(C)[C@H]([C@H](C)CC)C[NH2+]1 251758902 344871286 /nfs/dbraw/zinc/87/12/86/344871286.db2.gz LUQWBKNJJWQYPS-MXWKQRLJSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H]1C[N@@H+](C)[C@@H]([C@H](C)CC)CN1 251758897 344871325 /nfs/dbraw/zinc/87/13/25/344871325.db2.gz LUQWBKNJJWQYPS-GMTAPVOTSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H]1CN(C)[C@@H]([C@H](C)CC)C[NH2+]1 251758897 344871328 /nfs/dbraw/zinc/87/13/28/344871328.db2.gz LUQWBKNJJWQYPS-GMTAPVOTSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)[N@H+](C)[C@H]1CCCNC1 251761159 344871383 /nfs/dbraw/zinc/87/13/83/344871383.db2.gz HPRAPIDTOKYMEE-UWVGGRQHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCCNC1 251761159 344871384 /nfs/dbraw/zinc/87/13/84/344871384.db2.gz HPRAPIDTOKYMEE-UWVGGRQHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H](C)[C@H]1CN[C@H](CC)C[N@H+]1C 251758899 344871482 /nfs/dbraw/zinc/87/14/82/344871482.db2.gz LUQWBKNJJWQYPS-HBNTYKKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)[C@H]1C[NH2+][C@H](CC)CN1C 251758899 344871483 /nfs/dbraw/zinc/87/14/83/344871483.db2.gz LUQWBKNJJWQYPS-HBNTYKKESA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H]1CC[N@@H+]([C@H](C)CC2CC2)CCN1 251770177 344871765 /nfs/dbraw/zinc/87/17/65/344871765.db2.gz VCFMTPBYADHPAJ-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CCN([C@H](C)CC2CC2)CC[NH2+]1 251770177 344871769 /nfs/dbraw/zinc/87/17/69/344871769.db2.gz VCFMTPBYADHPAJ-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CCCC2)C[C@H]1N 251766340 344871846 /nfs/dbraw/zinc/87/18/46/344871846.db2.gz UQYYBOZKBVSDFV-CMPLNLGQSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1CCN(CC2CCCC2)C[C@H]1[NH3+] 251766340 344871848 /nfs/dbraw/zinc/87/18/48/344871848.db2.gz UQYYBOZKBVSDFV-CMPLNLGQSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1C[C@@H](C)C[C@H](OC(=O)[C@@H](C)[NH3+])C1 251767539 344871888 /nfs/dbraw/zinc/87/18/88/344871888.db2.gz DWNRVCPNADWNAA-RGOKHQFPSA-N 1 1 199.294 1.702 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1N 251766343 344871897 /nfs/dbraw/zinc/87/18/97/344871897.db2.gz UQYYBOZKBVSDFV-ZYHUDNBSSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@@H]1CCN(CC2CCCC2)C[C@H]1[NH3+] 251766343 344871900 /nfs/dbraw/zinc/87/19/00/344871900.db2.gz UQYYBOZKBVSDFV-ZYHUDNBSSA-N 1 1 196.338 1.846 10 0 ADAEMO CC[C@H](C)[N@H+]1CCNC[C@H]1C(C)C 251773427 344871922 /nfs/dbraw/zinc/87/19/22/344871922.db2.gz INNDOBSFWRYBGQ-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1N 251772799 344871988 /nfs/dbraw/zinc/87/19/88/344871988.db2.gz VHLGNRIQQUASMH-MWLCHTKSSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1C[C@@H](C)C[C@H]([NH+]2CC(N)C2)C1 251767811 344872066 /nfs/dbraw/zinc/87/20/66/344872066.db2.gz DXDWYBKQNZIZAT-JZYVYDRUSA-N 1 1 182.311 1.454 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCC[C@H]1CO 251767944 344872072 /nfs/dbraw/zinc/87/20/72/344872072.db2.gz ICWFSAOWWFBXGY-ZJUUUORDSA-N 1 1 171.284 1.632 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCNC[C@H]1C(C)C 251773425 344872076 /nfs/dbraw/zinc/87/20/76/344872076.db2.gz INNDOBSFWRYBGQ-MNOVXSKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H]1CCC[N@H+]([C@H](C)CN)CC1 251773608 344872096 /nfs/dbraw/zinc/87/20/96/344872096.db2.gz MPGCSJPDRXDQGS-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H]1CCCN([C@H](C)C[NH3+])CC1 251773608 344872098 /nfs/dbraw/zinc/87/20/98/344872098.db2.gz MPGCSJPDRXDQGS-GHMZBOCLSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@H](C)[N@H+]1CCCC[C@H]1CO 251767943 344872103 /nfs/dbraw/zinc/87/21/03/344872103.db2.gz ICWFSAOWWFBXGY-UWVGGRQHSA-N 1 1 171.284 1.632 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1N 251772796 344872110 /nfs/dbraw/zinc/87/21/10/344872110.db2.gz VHLGNRIQQUASMH-GXSJLCMTSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1CCN(CC2CCC2)C[C@H]1[NH3+] 251772796 344872111 /nfs/dbraw/zinc/87/21/11/344872111.db2.gz VHLGNRIQQUASMH-GXSJLCMTSA-N 1 1 182.311 1.456 10 0 ADAEMO CC[C@H](C)CN1[C@H](C)C[NH2+]C[C@H]1C 251766940 344872134 /nfs/dbraw/zinc/87/21/34/344872134.db2.gz IBCQUBYUQSYIFH-HBNTYKKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H]1CCCN([C@H](C)C[NH3+])CC1 251773611 344872144 /nfs/dbraw/zinc/87/21/44/344872144.db2.gz MPGCSJPDRXDQGS-MNOVXSKESA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@]1(C)C[N@H+]([C@@H]2C[C@H]2C)CCCN1 251774844 344872488 /nfs/dbraw/zinc/87/24/88/344872488.db2.gz WHZHXTLCTCALMO-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@]1(C)CN([C@@H]2C[C@H]2C)CCC[NH2+]1 251774844 344872489 /nfs/dbraw/zinc/87/24/89/344872489.db2.gz WHZHXTLCTCALMO-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@]1(C)C[N@H+]([C@H]2C[C@@H]2C)CCCN1 251774846 344872502 /nfs/dbraw/zinc/87/25/02/344872502.db2.gz WHZHXTLCTCALMO-SDDRHHMPSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@]1(C)CN([C@H]2C[C@@H]2C)CCC[NH2+]1 251774846 344872504 /nfs/dbraw/zinc/87/25/04/344872504.db2.gz WHZHXTLCTCALMO-SDDRHHMPSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CCN(CC2CC2)C[C@H]1[NH3+] 251777995 344872560 /nfs/dbraw/zinc/87/25/60/344872560.db2.gz VWSKNVJIFPNEBK-WCBMZHEXSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@H]1CC[N@H+](CC2CC2)C[C@H]1N 251777995 344872564 /nfs/dbraw/zinc/87/25/64/344872564.db2.gz VWSKNVJIFPNEBK-WCBMZHEXSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2CC2)C[C@H]1N 251777995 344872566 /nfs/dbraw/zinc/87/25/66/344872566.db2.gz VWSKNVJIFPNEBK-WCBMZHEXSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H]1CCN(CC2CC2)C[C@H]1[NH3+] 251777994 344872581 /nfs/dbraw/zinc/87/25/81/344872581.db2.gz VWSKNVJIFPNEBK-PSASIEDQSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H]1CC[N@H+](CC2CC2)C[C@H]1N 251777994 344872583 /nfs/dbraw/zinc/87/25/83/344872583.db2.gz VWSKNVJIFPNEBK-PSASIEDQSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1N 251777994 344872587 /nfs/dbraw/zinc/87/25/87/344872587.db2.gz VWSKNVJIFPNEBK-PSASIEDQSA-N 1 1 168.284 1.066 10 0 ADAEMO CC[C@]1(C)CN([C@H]2C[C@H]2C)CCC[NH2+]1 251774840 344872676 /nfs/dbraw/zinc/87/26/76/344872676.db2.gz WHZHXTLCTCALMO-GRYCIOLGSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@]1(C)C[N@H+]([C@H]2C[C@H]2C)CCCN1 251774840 344872674 /nfs/dbraw/zinc/87/26/74/344872674.db2.gz WHZHXTLCTCALMO-GRYCIOLGSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CC[C@@](C[NH3+])(N(C)C)C[C@H]1C 251775167 344872705 /nfs/dbraw/zinc/87/27/05/344872705.db2.gz KWUXIJACDQFOLX-GMTAPVOTSA-N 1 1 184.327 1.702 10 0 ADAEMO C[C@H]1[C@H](C)CCC[C@@]1([NH3+])CN 251775420 344872745 /nfs/dbraw/zinc/87/27/45/344872745.db2.gz KXMFRBRTGLTBEP-HRDYMLBCSA-N 1 1 156.273 1.099 10 0 ADAEMO C[C@H]1CCN(C2CCC2)C[C@H]1[NH3+] 251777993 344872765 /nfs/dbraw/zinc/87/27/65/344872765.db2.gz VWRSVFNKOKXVKN-WCBMZHEXSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CCN(C2CCC2)C[C@H]1[NH3+] 251777992 344872813 /nfs/dbraw/zinc/87/28/13/344872813.db2.gz VWRSVFNKOKXVKN-PSASIEDQSA-N 1 1 168.284 1.208 10 0 ADAEMO CC[C@H]1CCC[N@H+]1[C@H](C)C(N)=S 251774707 344872829 /nfs/dbraw/zinc/87/28/29/344872829.db2.gz MRAMDYXCMUMLAJ-SFYZADRCSA-N 1 1 186.324 1.535 10 0 ADAEMO CC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=S 251774704 344872845 /nfs/dbraw/zinc/87/28/45/344872845.db2.gz MRAMDYXCMUMLAJ-HTQZYQBOSA-N 1 1 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/nfs/dbraw/zinc/88/88/70/344888870.db2.gz QLBIRWWFNOPCQF-OPRDCNLKSA-N 1 1 182.311 1.467 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1C[C@H](C)CC[C@@H]1N 252161508 344888828 /nfs/dbraw/zinc/88/88/28/344888828.db2.gz PXHCGVLYKKBCTC-VWYCJHECSA-N 1 1 184.327 1.843 10 0 ADAEMO CC(C)N(C)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 252161508 344888830 /nfs/dbraw/zinc/88/88/30/344888830.db2.gz PXHCGVLYKKBCTC-VWYCJHECSA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@@H]1C[C@H]1[N@H+]1CC(C)(C)NC[C@H]1C 252165608 344888867 /nfs/dbraw/zinc/88/88/67/344888867.db2.gz QLBIRWWFNOPCQF-OPRDCNLKSA-N 1 1 182.311 1.467 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=S 252156282 344889066 /nfs/dbraw/zinc/88/90/66/344889066.db2.gz NILFAACLYQAKEP-RNFRBKRXSA-N 1 1 172.297 1.145 10 0 ADAEMO C[C@@H]1C[C@@H]1[N@H+]1CC(C)(C)NC[C@H]1C 252165606 344889139 /nfs/dbraw/zinc/88/91/39/344889139.db2.gz QLBIRWWFNOPCQF-BBBLOLIVSA-N 1 1 182.311 1.467 10 0 ADAEMO C[C@@H]1C[C@@H]1N1CC(C)(C)[NH2+]C[C@H]1C 252165606 344889141 /nfs/dbraw/zinc/88/91/41/344889141.db2.gz QLBIRWWFNOPCQF-BBBLOLIVSA-N 1 1 182.311 1.467 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H]1N 252174046 344889578 /nfs/dbraw/zinc/88/95/78/344889578.db2.gz OPAZRKVSYZFIRL-BBBLOLIVSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1N 252174047 344889717 /nfs/dbraw/zinc/88/97/17/344889717.db2.gz OPAZRKVSYZFIRL-OPRDCNLKSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@H](C)CN)[C@H](C)C1 252178103 344889953 /nfs/dbraw/zinc/88/99/53/344889953.db2.gz PLFHODRUYAVZLK-OPRDCNLKSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]1CCN([C@H](C)C[NH3+])[C@H](C)C1 252178103 344889956 /nfs/dbraw/zinc/88/99/56/344889956.db2.gz PLFHODRUYAVZLK-OPRDCNLKSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H]1CCC[N@H+]1C[C@H]1CCCC1=O 252179097 344889977 /nfs/dbraw/zinc/88/99/77/344889977.db2.gz PQNBVKJGLZOWMC-VHSXEESVSA-N 1 1 181.279 1.840 10 0 ADAEMO C[C@@H]([NH2+][C@H]1C[C@H]1C)C(F)F 299895086 344958355 /nfs/dbraw/zinc/95/83/55/344958355.db2.gz FBAOMTZJKQREFI-PBXRRBTRSA-N 1 1 149.184 1.638 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1C[C@H](C)CC[C@H]1O 252175940 344889986 /nfs/dbraw/zinc/88/99/86/344889986.db2.gz RZTNFBOJFVAWAO-OUAUKWLOSA-N 1 1 185.311 1.876 10 0 ADAEMO CC(C)[C@@H](CN)[N@H+]1CCC[C@H]1C 252176784 344890024 /nfs/dbraw/zinc/89/00/24/344890024.db2.gz PCXZNSSLIPLVRX-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1[C@H](CN)C1CC1 252177779 344890053 /nfs/dbraw/zinc/89/00/53/344890053.db2.gz PIPNSYPAHCLNSB-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCCC[N@H+]1[C@H](CN)C1CC1 252177778 344890089 /nfs/dbraw/zinc/89/00/89/344890089.db2.gz PIPNSYPAHCLNSB-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@H](C)CN 252180433 344890159 /nfs/dbraw/zinc/89/01/59/344890159.db2.gz PXKMEOUMXZPPDZ-GMTAPVOTSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1CCC[N@H+]1C[C@H]1CCCC1=O 252179096 344890191 /nfs/dbraw/zinc/89/01/91/344890191.db2.gz PQNBVKJGLZOWMC-NXEZZACHSA-N 1 1 181.279 1.840 10 0 ADAEMO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@H](C)CN 252180435 344890196 /nfs/dbraw/zinc/89/01/96/344890196.db2.gz PXKMEOUMXZPPDZ-MXWKQRLJSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1[C@H](C)CCC[N@H+]1[C@@H]1CCC[C@H]1N 252178841 344890213 /nfs/dbraw/zinc/89/02/13/344890213.db2.gz PORPPFLWVQZUOQ-WRWGMCAJSA-N 1 1 196.338 1.987 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1C[C@H](C)CC[C@@H]1O 252175941 344890228 /nfs/dbraw/zinc/89/02/28/344890228.db2.gz RZTNFBOJFVAWAO-VWYCJHECSA-N 1 1 185.311 1.876 10 0 ADAEMO COC(=O)[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C 252176572 344890235 /nfs/dbraw/zinc/89/02/35/344890235.db2.gz PCCGFVWVAGDOKJ-GUBZILKMSA-N 1 1 199.294 1.668 10 0 ADAEMO C[C@H](CO)C[N@H+]1CCC[C@H]1C 252183029 344890265 /nfs/dbraw/zinc/89/02/65/344890265.db2.gz QIQBIBXACPCGTM-DTWKUNHWSA-N 1 1 157.257 1.099 10 0 ADAEMO C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2N)[C@@H]1C 252178837 344890302 /nfs/dbraw/zinc/89/03/02/344890302.db2.gz PORPPFLWVQZUOQ-DDHJBXDOSA-N 1 1 196.338 1.987 10 0 ADAEMO CC(C)[C@@H](CN)[N@H+]1CCCC[C@H]1C 252182340 344890348 /nfs/dbraw/zinc/89/03/48/344890348.db2.gz QFYPWLHQEGTDRA-GHMZBOCLSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1C[C@H]1[N@H+]1C[C@@H](C)NC[C@H]1C 252188334 344890563 /nfs/dbraw/zinc/89/05/63/344890563.db2.gz UQDJPQDEGSRSMP-SGIHWFKDSA-N 1 1 168.284 1.077 10 0 ADAEMO C[C@H]1C[C@H]1N1C[C@@H](C)[NH2+]C[C@H]1C 252188334 344890565 /nfs/dbraw/zinc/89/05/65/344890565.db2.gz UQDJPQDEGSRSMP-SGIHWFKDSA-N 1 1 168.284 1.077 10 0 ADAEMO C[C@H]1CCC[N@@H+](CC(N)=S)[C@H]1C 252190279 344890589 /nfs/dbraw/zinc/89/05/89/344890589.db2.gz RNBURTYYHKPKIP-YUMQZZPRSA-N 1 1 186.324 1.393 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2C[C@H]2C)[C@H](C)CN1 252188335 344890631 /nfs/dbraw/zinc/89/06/31/344890631.db2.gz UQDJPQDEGSRSMP-ZYUZMQFOSA-N 1 1 168.284 1.077 10 0 ADAEMO C[C@@H]1CN([C@@H]2C[C@H]2C)[C@H](C)C[NH2+]1 252188335 344890632 /nfs/dbraw/zinc/89/06/32/344890632.db2.gz UQDJPQDEGSRSMP-ZYUZMQFOSA-N 1 1 168.284 1.077 10 0 ADAEMO C[C@H]1[C@H](C)CCC[N@H+]1CC(N)=S 252190278 344890688 /nfs/dbraw/zinc/89/06/88/344890688.db2.gz RNBURTYYHKPKIP-SFYZADRCSA-N 1 1 186.324 1.393 10 0 ADAEMO C[NH2+][C@@H]1CCN([C@@H]2C[C@H]2C)[C@@H](C)C1 252194164 344891022 /nfs/dbraw/zinc/89/10/22/344891022.db2.gz VHRLJPKZUFSYCM-LMLFDSFASA-N 1 1 182.311 1.467 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@@H](N)C2)CC[C@H]1C 252191064 344891030 /nfs/dbraw/zinc/89/10/30/344891030.db2.gz UYDSHPPHUXMXEL-YTWAJWBKSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@H](CN)C1CCCC1 252198981 344891039 /nfs/dbraw/zinc/89/10/39/344891039.db2.gz SWEMBZUZADYRIT-ZYHUDNBSSA-N 1 1 196.338 1.988 10 0 ADAEMO C[NH2+][C@@H]1CCN([C@@H]2C[C@@H]2C)[C@H](C)C1 252194166 344891078 /nfs/dbraw/zinc/89/10/78/344891078.db2.gz VHRLJPKZUFSYCM-LNFKQOIKSA-N 1 1 182.311 1.467 10 0 ADAEMO C[NH2+][C@@H]1CCN([C@@H]2C[C@H]2C)[C@H](C)C1 252194163 344891101 /nfs/dbraw/zinc/89/11/01/344891101.db2.gz VHRLJPKZUFSYCM-GWOFURMSSA-N 1 1 182.311 1.467 10 0 ADAEMO C[C@H]1[C@H](C)CCC[N@@H+]1C1CCNCC1 252192309 344891147 /nfs/dbraw/zinc/89/11/47/344891147.db2.gz RUURRMMCDZBDMI-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1[C@H](C)CCC[N@H+]1C1CCNCC1 252192309 344891148 /nfs/dbraw/zinc/89/11/48/344891148.db2.gz RUURRMMCDZBDMI-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@H](N)C2)CC[C@H]1C 252191063 344891199 /nfs/dbraw/zinc/89/11/99/344891199.db2.gz UYDSHPPHUXMXEL-RCWTZXSCSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@H](CN)C2CC2)CC1 252205453 344891516 /nfs/dbraw/zinc/89/15/16/344891516.db2.gz VAFDHNVTPOWFSH-ZYHUDNBSSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@H]1CCCC[C@H]1N 252202506 344891539 /nfs/dbraw/zinc/89/15/39/344891539.db2.gz UKKNHMIJOZZAGT-MXWKQRLJSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H]1CCCN1[C@H]1CCCC[NH2+]C1 252201462 344891636 /nfs/dbraw/zinc/89/16/36/344891636.db2.gz UDTIVMBDRHKWKD-MNOVXSKESA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@H]1CCCN1[C@H]1CCCC[NH2+]C1 252201463 344891749 /nfs/dbraw/zinc/89/17/49/344891749.db2.gz UDTIVMBDRHKWKD-QWRGUYRKSA-N 1 1 182.311 1.613 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@H]1CCCC[C@@H]1N 252202507 344891760 /nfs/dbraw/zinc/89/17/60/344891760.db2.gz UKKNHMIJOZZAGT-VWYCJHECSA-N 1 1 182.311 1.741 10 0 ADAEMO C[NH2+][C@@H]1CCC[C@H]1N1CCC[C@H]1C 252206422 344891938 /nfs/dbraw/zinc/89/19/38/344891938.db2.gz VFDQXQRDMSSMGI-GMTAPVOTSA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@H]1C[C@@H](C)C[C@H](OC(=O)C[NH3+])C1 252209345 344891993 /nfs/dbraw/zinc/89/19/93/344891993.db2.gz XTMGODMNGADGBA-BRPSZJMVSA-N 1 1 185.267 1.313 10 0 ADAEMO C[C@H]1CCCCC[N@H+]1[C@H](CN)C1CC1 252210194 344892024 /nfs/dbraw/zinc/89/20/24/344892024.db2.gz WCSBYUXSDOLJNJ-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CCC[N@@H+](C2CCC2)[C@H]1CN 252205701 344892058 /nfs/dbraw/zinc/89/20/58/344892058.db2.gz VBJVPOCTFMKBDU-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCCN(C2CCC2)[C@H]1C[NH3+] 252205701 344892060 /nfs/dbraw/zinc/89/20/60/344892060.db2.gz VBJVPOCTFMKBDU-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C[NH2+][C@@H]1CCC[C@@H]1N1CCC[C@H]1C 252206423 344892101 /nfs/dbraw/zinc/89/21/01/344892101.db2.gz VFDQXQRDMSSMGI-MXWKQRLJSA-N 1 1 182.311 1.611 10 0 ADAEMO C[C@@H]1CCC[N@@H+](C2CCC2)[C@H]1CN 252205700 344892110 /nfs/dbraw/zinc/89/21/10/344892110.db2.gz VBJVPOCTFMKBDU-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCCN(C2CCC2)[C@H]1C[NH3+] 252205700 344892113 /nfs/dbraw/zinc/89/21/13/344892113.db2.gz VBJVPOCTFMKBDU-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCCCC[N@H+]1[C@H](CN)C1CC1 252210195 344892127 /nfs/dbraw/zinc/89/21/27/344892127.db2.gz WCSBYUXSDOLJNJ-ZYHUDNBSSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)N)[C@H](C)C1 252205734 344892185 /nfs/dbraw/zinc/89/21/85/344892185.db2.gz VBZKYMDZJPCJKO-GWOFURMSSA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@@H]1CCN([C@H](C)[C@@H](C)[NH3+])[C@H](C)C1 252205734 344892188 /nfs/dbraw/zinc/89/21/88/344892188.db2.gz VBZKYMDZJPCJKO-GWOFURMSSA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@H+]1CC[C@@H](C)C[C@H]1C 252205733 344892315 /nfs/dbraw/zinc/89/23/15/344892315.db2.gz VBZKYMDZJPCJKO-CHWFTXMASA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C)N1CC[C@@H](C)C[C@H]1C 252205733 344892317 /nfs/dbraw/zinc/89/23/17/344892317.db2.gz VBZKYMDZJPCJKO-CHWFTXMASA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@H](CN)C1CCC1 252214641 344892498 /nfs/dbraw/zinc/89/24/98/344892498.db2.gz XHYMBLYXIMUSOJ-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[C@@H]1CNCC[N@H+]1[C@H]1C[C@@H]1C 252211569 344892537 /nfs/dbraw/zinc/89/25/37/344892537.db2.gz YGCRPEBSPYMYOK-DCAQKATOSA-N 1 1 182.311 1.325 10 0 ADAEMO CC(C)[C@@H]1C[NH2+]CCN1[C@H]1C[C@@H]1C 252211569 344892539 /nfs/dbraw/zinc/89/25/39/344892539.db2.gz YGCRPEBSPYMYOK-DCAQKATOSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@H]1[C@H](C)CCC[N@H+]1CC(C)(C)N 252211518 344892574 /nfs/dbraw/zinc/89/25/74/344892574.db2.gz WLOWKUVEJXYGPJ-ZJUUUORDSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1[C@H](C)CCCN1CC(C)(C)[NH3+] 252211518 344892578 /nfs/dbraw/zinc/89/25/78/344892578.db2.gz WLOWKUVEJXYGPJ-ZJUUUORDSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[C@@H]1CNCC[N@H+]1[C@H]1C[C@H]1C 252211571 344892682 /nfs/dbraw/zinc/89/26/82/344892682.db2.gz YGCRPEBSPYMYOK-VWYCJHECSA-N 1 1 182.311 1.325 10 0 ADAEMO CC(C)[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]1C 252211571 344892683 /nfs/dbraw/zinc/89/26/83/344892683.db2.gz YGCRPEBSPYMYOK-VWYCJHECSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1CC1(C)C 252213376 344892720 /nfs/dbraw/zinc/89/27/20/344892720.db2.gz YQWXYLFXBYRHQY-BBBLOLIVSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1C[C@H](N)C[N@@H+]([C@H](C)C2CC2)C1 252211451 344892754 /nfs/dbraw/zinc/89/27/54/344892754.db2.gz YFKZFTPHSMHKDK-KKZNHRDASA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])CN([C@H](C)C2CC2)C1 252211451 344892756 /nfs/dbraw/zinc/89/27/56/344892756.db2.gz YFKZFTPHSMHKDK-KKZNHRDASA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H](N)[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1C 252214805 344892810 /nfs/dbraw/zinc/89/28/10/344892810.db2.gz XIZDBLYEEWUSRJ-MMWGEVLESA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@H]1CCC[N@H+]1[C@H](CN)C1CCC1 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/nfs/dbraw/zinc/89/57/65/344895765.db2.gz DLKHHNWMTKEUGG-AXFHLTTASA-N 1 1 184.327 1.987 10 0 ADAEMO CC[C@H](C)N(C)[C@H]1CCCC[C@H]1[NH3+] 252433857 344895766 /nfs/dbraw/zinc/89/57/66/344895766.db2.gz DLKHHNWMTKEUGG-AXFHLTTASA-N 1 1 184.327 1.987 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1N 252433859 344895812 /nfs/dbraw/zinc/89/58/12/344895812.db2.gz DLKHHNWMTKEUGG-HBNTYKKESA-N 1 1 184.327 1.987 10 0 ADAEMO CC[C@H](C)N(C)[C@@H]1CCCC[C@H]1[NH3+] 252433859 344895815 /nfs/dbraw/zinc/89/58/15/344895815.db2.gz DLKHHNWMTKEUGG-HBNTYKKESA-N 1 1 184.327 1.987 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@H]1N 252433307 344895859 /nfs/dbraw/zinc/89/58/59/344895859.db2.gz BYKURFBOOCWJJX-YUSALJHKSA-N 1 1 196.338 1.987 10 0 ADAEMO CCN(C1CC1)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 252433307 344895861 /nfs/dbraw/zinc/89/58/61/344895861.db2.gz BYKURFBOOCWJJX-YUSALJHKSA-N 1 1 196.338 1.987 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@@H]1N 252433858 344895904 /nfs/dbraw/zinc/89/59/04/344895904.db2.gz DLKHHNWMTKEUGG-DCAQKATOSA-N 1 1 184.327 1.987 10 0 ADAEMO CC[C@H](C)N(C)[C@H]1CCCC[C@@H]1[NH3+] 252433858 344895906 /nfs/dbraw/zinc/89/59/06/344895906.db2.gz DLKHHNWMTKEUGG-DCAQKATOSA-N 1 1 184.327 1.987 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1N 252435342 344895936 /nfs/dbraw/zinc/89/59/36/344895936.db2.gz JJCBTDFMURFCKN-GMTAPVOTSA-N 1 1 184.327 1.844 10 0 ADAEMO CCCN(C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 252435342 344895937 /nfs/dbraw/zinc/89/59/37/344895937.db2.gz JJCBTDFMURFCKN-GMTAPVOTSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@@H](N)C2)CCC[C@H]1C 252434400 344895951 /nfs/dbraw/zinc/89/59/51/344895951.db2.gz FJWRROABPXSSEM-KXNHARMFSA-N 1 1 196.338 1.844 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCCCC[C@H]1N 252434381 344895983 /nfs/dbraw/zinc/89/59/83/344895983.db2.gz OILKKNNBHBNLJH-ZJUUUORDSA-N 1 1 170.300 1.598 10 0 ADAEMO CCN(C)[C@H]1CCCCC[C@H]1[NH3+] 252434381 344895984 /nfs/dbraw/zinc/89/59/84/344895984.db2.gz OILKKNNBHBNLJH-ZJUUUORDSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@H](N)C2)CCC[C@H]1C 252434401 344896043 /nfs/dbraw/zinc/89/60/43/344896043.db2.gz FJWRROABPXSSEM-RHYQMDGZSA-N 1 1 196.338 1.844 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCCCC[C@H]1N 252434380 344896064 /nfs/dbraw/zinc/89/60/64/344896064.db2.gz OILKKNNBHBNLJH-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCN(C)[C@@H]1CCCCC[C@H]1[NH3+] 252434380 344896066 /nfs/dbraw/zinc/89/60/66/344896066.db2.gz OILKKNNBHBNLJH-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@H](C)N(C)[C@@H]1CCC[C@H]1[NH3+] 252436719 344896256 /nfs/dbraw/zinc/89/62/56/344896256.db2.gz QWSSMXUJRCUHEG-IVZWLZJFSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1N 252436719 344896254 /nfs/dbraw/zinc/89/62/54/344896254.db2.gz QWSSMXUJRCUHEG-IVZWLZJFSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@@H+]1C[C@H]1CCCO1 252439713 344896331 /nfs/dbraw/zinc/89/63/31/344896331.db2.gz RXHYVHKZHHTTQW-MWLCHTKSSA-N 1 1 197.278 1.219 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@@H+]1[C@H](C)C1CC1 252438871 344896458 /nfs/dbraw/zinc/89/64/58/344896458.db2.gz HSOJYZUTVFFEAK-RKDXNWHRSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@H]1CC(=O)CC[N@@H+]1C[C@H]1CCCO1 252439712 344896466 /nfs/dbraw/zinc/89/64/66/344896466.db2.gz RXHYVHKZHHTTQW-GXSJLCMTSA-N 1 1 197.278 1.219 10 0 ADAEMO C[C@H]1CC(=O)CC[N@H+]1C[C@H]1CCCO1 252439712 344896469 /nfs/dbraw/zinc/89/64/69/344896469.db2.gz RXHYVHKZHHTTQW-GXSJLCMTSA-N 1 1 197.278 1.219 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1N 252436718 344896475 /nfs/dbraw/zinc/89/64/75/344896475.db2.gz QWSSMXUJRCUHEG-GUBZILKMSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@H](C)N(C)[C@H]1CCC[C@@H]1[NH3+] 252436718 344896477 /nfs/dbraw/zinc/89/64/77/344896477.db2.gz QWSSMXUJRCUHEG-GUBZILKMSA-N 1 1 170.300 1.597 10 0 ADAEMO COC[C@@H](C)[N@@H+]1CCC(=O)C[C@H]1C 252438915 344896488 /nfs/dbraw/zinc/89/64/88/344896488.db2.gz IJGAGVHYQUMSOQ-RKDXNWHRSA-N 1 1 185.267 1.075 10 0 ADAEMO COC[C@@H](C)[N@H+]1CCC(=O)C[C@H]1C 252438915 344896490 /nfs/dbraw/zinc/89/64/90/344896490.db2.gz IJGAGVHYQUMSOQ-RKDXNWHRSA-N 1 1 185.267 1.075 10 0 ADAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1N 252436717 344896763 /nfs/dbraw/zinc/89/67/63/344896763.db2.gz QWSSMXUJRCUHEG-AEJSXWLSSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@H](C)N(C)[C@H]1CCC[C@H]1[NH3+] 252436717 344896765 /nfs/dbraw/zinc/89/67/65/344896765.db2.gz QWSSMXUJRCUHEG-AEJSXWLSSA-N 1 1 170.300 1.597 10 0 ADAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@H]1CC1(C)C 252440887 344896905 /nfs/dbraw/zinc/89/69/05/344896905.db2.gz YBUHMKYNXJDJHY-WPRPVWTQSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@H]1CC(=O)CC[N@H+]1[C@H]1CC1(C)C 252440887 344896906 /nfs/dbraw/zinc/89/69/06/344896906.db2.gz YBUHMKYNXJDJHY-WPRPVWTQSA-N 1 1 181.279 1.838 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCCC[C@H]1O 252440100 344897010 /nfs/dbraw/zinc/89/70/10/344897010.db2.gz WXNAGJJUDIZVNK-DTWKUNHWSA-N 1 1 157.257 1.242 10 0 ADAEMO CC[N@@H+](C(C)C)[C@H]1CCC[C@H]1O 252440252 344897017 /nfs/dbraw/zinc/89/70/17/344897017.db2.gz ZACISQMWDYGRRA-VHSXEESVSA-N 1 1 171.284 1.630 10 0 ADAEMO C[N@@H+](C1CC1)[C@H]1CCCC[C@H]1O 252439838 344897171 /nfs/dbraw/zinc/89/71/71/344897171.db2.gz TXAQSGHEKCSJJH-VHSXEESVSA-N 1 1 169.268 1.384 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@@H+]1[C@H]1CC1(C)C 252440886 344897186 /nfs/dbraw/zinc/89/71/86/344897186.db2.gz YBUHMKYNXJDJHY-SCZZXKLOSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@H+]1[C@H]1CC1(C)C 252440886 344897188 /nfs/dbraw/zinc/89/71/88/344897188.db2.gz YBUHMKYNXJDJHY-SCZZXKLOSA-N 1 1 181.279 1.838 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@@H]1COCC[C@H]1O 252448940 344897373 /nfs/dbraw/zinc/89/73/73/344897373.db2.gz AXMBOXHHZQHZCA-NXEZZACHSA-N 1 1 199.294 1.011 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@H]1COCC[C@H]1O 252448941 344897450 /nfs/dbraw/zinc/89/74/50/344897450.db2.gz AXMBOXHHZQHZCA-VHSXEESVSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@H+]1C[C@H]1CCOC1 252451842 344897703 /nfs/dbraw/zinc/89/77/03/344897703.db2.gz NXFAVSZPFZDILH-NXEZZACHSA-N 1 1 197.278 1.076 10 0 ADAEMO C[N@@H+](Cc1ccoc1)[C@H]1CCC[C@H]1O 252451088 344897722 /nfs/dbraw/zinc/89/77/22/344897722.db2.gz QTAXYMHLNFLAMA-WDEREUQCSA-N 1 1 195.262 1.625 10 0 ADAEMO C/C=C/C[N@H+]1[C@H](CN)CCC[C@H]1C 252464001 344897928 /nfs/dbraw/zinc/89/79/28/344897928.db2.gz VJXPRPJYDZEARY-YHROSDCASA-N 1 1 182.311 1.764 10 0 ADAEMO C/C=C/C[N@@H+]1[C@H](CN)CCC[C@H]1C 252464001 344897930 /nfs/dbraw/zinc/89/79/30/344897930.db2.gz VJXPRPJYDZEARY-YHROSDCASA-N 1 1 182.311 1.764 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](C)NC[C@H]1C 252469124 344898421 /nfs/dbraw/zinc/89/84/21/344898421.db2.gz POENBFVZAYGTCX-LPEHRKFASA-N 1 1 170.300 1.467 10 0 ADAEMO CC[C@H](C)N1C[C@H](C)[NH2+]C[C@H]1C 252469124 344898423 /nfs/dbraw/zinc/89/84/23/344898423.db2.gz POENBFVZAYGTCX-LPEHRKFASA-N 1 1 170.300 1.467 10 0 ADAEMO C[C@@H]1[C@H](O)CC[C@H]1c1ccc[nH+]c1N 252468238 344898433 /nfs/dbraw/zinc/89/84/33/344898433.db2.gz HCQKWZKPSGRTTN-QXFUBDJGSA-N 1 1 192.262 1.538 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](C)NC[C@H]1C 252469123 344898556 /nfs/dbraw/zinc/89/85/56/344898556.db2.gz POENBFVZAYGTCX-KXUCPTDWSA-N 1 1 170.300 1.467 10 0 ADAEMO CC[C@H](C)N1C[C@@H](C)[NH2+]C[C@H]1C 252469123 344898558 /nfs/dbraw/zinc/89/85/58/344898558.db2.gz POENBFVZAYGTCX-KXUCPTDWSA-N 1 1 170.300 1.467 10 0 ADAEMO C[C@H]1C[C@@H](C)C[C@@H]([NH3+])[C@@H]1N(C)C 252471144 344899033 /nfs/dbraw/zinc/89/90/33/344899033.db2.gz HBKQXDPIWYHMGY-UTINFBMNSA-N 1 1 170.300 1.310 10 0 ADAEMO CC[C@H](C)[N@H+]1CCNCC[C@H]1C 252476252 344899394 /nfs/dbraw/zinc/89/93/94/344899394.db2.gz OIQOMMDJXBURGW-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 252475872 344899400 /nfs/dbraw/zinc/89/94/00/344899400.db2.gz IJVXGBSOXMYNQA-QWRGUYRKSA-N 1 1 183.295 1.633 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCNCC[C@H]1C 252476251 344899405 /nfs/dbraw/zinc/89/94/05/344899405.db2.gz OIQOMMDJXBURGW-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+]2CCCC[C@H]2CN1 252476208 344899441 /nfs/dbraw/zinc/89/94/41/344899441.db2.gz KSQKZPHMTMNDPT-QWRGUYRKSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@@H]1C[N@H+]2CCCC[C@H]2CN1 252476208 344899442 /nfs/dbraw/zinc/89/94/42/344899442.db2.gz KSQKZPHMTMNDPT-QWRGUYRKSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@H]1C[N@@H+]2CCCC[C@H]2CN1 252476209 344899453 /nfs/dbraw/zinc/89/94/53/344899453.db2.gz KSQKZPHMTMNDPT-WDEREUQCSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[C@H]1C[N@H+]2CCCC[C@H]2CN1 252476209 344899454 /nfs/dbraw/zinc/89/94/54/344899454.db2.gz KSQKZPHMTMNDPT-WDEREUQCSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]([NH3+])C(=O)O[C@H]1CC[C@@H](C)[C@H](C)C1 252473780 344899476 /nfs/dbraw/zinc/89/94/76/344899476.db2.gz XDASFLZIDNKEFW-KYXWUPHJSA-N 1 1 199.294 1.702 10 0 ADAEMO CCCC[N@H+]1CCN2CCCC[C@H]2C1 252513225 344900545 /nfs/dbraw/zinc/90/05/45/344900545.db2.gz NAYWDGZETMMWCQ-LBPRGKRZSA-N 1 1 196.338 1.957 10 0 ADAEMO CCCCN1CC[N@@H+]2CCCC[C@H]2C1 252513225 344900549 /nfs/dbraw/zinc/90/05/49/344900549.db2.gz NAYWDGZETMMWCQ-LBPRGKRZSA-N 1 1 196.338 1.957 10 0 ADAEMO CCCCN1CC[N@H+]2CCCC[C@H]2C1 252513225 344900550 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344921808 /nfs/dbraw/zinc/92/18/08/344921808.db2.gz PEGJUIDAOQYQIB-NXEZZACHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H]1CN(C2(C)CC2)[C@H](C)C[NH2+]1 252951518 344921810 /nfs/dbraw/zinc/92/18/10/344921810.db2.gz PEGJUIDAOQYQIB-NXEZZACHSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@H]1C[N@H+](C2(C)CC2)[C@H](C)CN1 252951520 344921928 /nfs/dbraw/zinc/92/19/28/344921928.db2.gz PEGJUIDAOQYQIB-ZJUUUORDSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@H]1CN(C2(C)CC2)[C@H](C)C[NH2+]1 252951520 344921930 /nfs/dbraw/zinc/92/19/30/344921930.db2.gz PEGJUIDAOQYQIB-ZJUUUORDSA-N 1 1 182.311 1.611 10 0 ADAEMO C/C=C/CC[N@H+]1C[C@H](C)NC[C@H]1C 252954619 344921976 /nfs/dbraw/zinc/92/19/76/344921976.db2.gz HXPVUEXUPVTUOV-BXXZLRJFSA-N 1 1 182.311 1.635 10 0 ADAEMO C/C=C/CCN1C[C@H](C)[NH2+]C[C@H]1C 252954619 344921978 /nfs/dbraw/zinc/92/19/78/344921978.db2.gz HXPVUEXUPVTUOV-BXXZLRJFSA-N 1 1 182.311 1.635 10 0 ADAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1C[C@H]1C[C@@H]1C 252959050 344922263 /nfs/dbraw/zinc/92/22/63/344922263.db2.gz LRWOEOGITYGFER-IRCOFANPSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1C[C@H]1C[C@H]1C 252959049 344922564 /nfs/dbraw/zinc/92/25/64/344922564.db2.gz LRWOEOGITYGFER-DDHJBXDOSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1C[C@@H]1C[C@H]1C 252959051 344922683 /nfs/dbraw/zinc/92/26/83/344922683.db2.gz LRWOEOGITYGFER-WISYIIOYSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](N)C1 252962537 344922983 /nfs/dbraw/zinc/92/29/83/344922983.db2.gz VVBRSEFRYNTSKZ-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1C[C@@H]1C[N@H+]1CCN[C@H](C)CC1 252967193 344923032 /nfs/dbraw/zinc/92/30/32/344923032.db2.gz UBJNVMQMPHPCLF-HBNTYKKESA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@H]1C[C@@H]1CN1CC[NH2+][C@H](C)CC1 252967193 344923034 /nfs/dbraw/zinc/92/30/34/344923034.db2.gz UBJNVMQMPHPCLF-HBNTYKKESA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)CCN1 252967192 344923250 /nfs/dbraw/zinc/92/32/50/344923250.db2.gz UBJNVMQMPHPCLF-GMTAPVOTSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1CCN(C[C@H]2C[C@H]2C)CC[NH2+]1 252967192 344923252 /nfs/dbraw/zinc/92/32/52/344923252.db2.gz UBJNVMQMPHPCLF-GMTAPVOTSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@H+]1CCC(=O)C[C@H]1C 252966135 344923260 /nfs/dbraw/zinc/92/32/60/344923260.db2.gz SJISJHRGAIPVAL-BBBLOLIVSA-N 1 1 181.279 1.696 10 0 ADAEMO CC1(N2CC[N@H+]3CCC[C@H]3C2)CCC1 252968692 344923563 /nfs/dbraw/zinc/92/35/63/344923563.db2.gz YSSYFQGJBSDNOO-NSHDSACASA-N 1 1 194.322 1.709 10 0 ADAEMO C[N@@H+](C1CCC1)[C@H]1CCC[C@H]1N 252981855 344923783 /nfs/dbraw/zinc/92/37/83/344923783.db2.gz TUDKMWBSPSXZPO-ZJUUUORDSA-N 1 1 168.284 1.351 10 0 ADAEMO CN(C1CCC1)[C@H]1CCC[C@H]1[NH3+] 252981855 344923787 /nfs/dbraw/zinc/92/37/87/344923787.db2.gz TUDKMWBSPSXZPO-ZJUUUORDSA-N 1 1 168.284 1.351 10 0 ADAEMO C[N@@H+](C1CCC1)[C@@H]1CCCC[C@H]1N 252982829 344923792 /nfs/dbraw/zinc/92/37/92/344923792.db2.gz YEJFEKCCGIBEQH-GHMZBOCLSA-N 1 1 182.311 1.741 10 0 ADAEMO CN(C1CCC1)[C@@H]1CCCC[C@H]1[NH3+] 252982829 344923796 /nfs/dbraw/zinc/92/37/96/344923796.db2.gz YEJFEKCCGIBEQH-GHMZBOCLSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H](O)C(C)(C)[N@H+]1CCC[C@H]1C 252980970 344923810 /nfs/dbraw/zinc/92/38/10/344923810.db2.gz OZLAQURSPMCSJX-BDAKNGLRSA-N 1 1 171.284 1.630 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)C2)CCS1 252982799 344923835 /nfs/dbraw/zinc/92/38/35/344923835.db2.gz YBSVGFZQBYNQOC-BDAKNGLRSA-N 1 1 199.319 1.545 10 0 ADAEMO C[C@H]1C[N@H+]([C@H]2CCC(=O)C2)CCS1 252982800 344923876 /nfs/dbraw/zinc/92/38/76/344923876.db2.gz YBSVGFZQBYNQOC-IUCAKERBSA-N 1 1 199.319 1.545 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H]2CCCC2=O)CCS1 252980356 344923923 /nfs/dbraw/zinc/92/39/23/344923923.db2.gz LYWNTZMBSQDZAF-BDAKNGLRSA-N 1 1 199.319 1.545 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H](C)C2CCC2)CCCN1 252980407 344923937 /nfs/dbraw/zinc/92/39/37/344923937.db2.gz MDCXDTVRHMEENX-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H](C)C2CCC2)CCN1 252981238 344923951 /nfs/dbraw/zinc/92/39/51/344923951.db2.gz QFNOZYDPJINEHH-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CNCC[N@@H+]1[C@H](C)C1CCC1 252982050 344924044 /nfs/dbraw/zinc/92/40/44/344924044.db2.gz UOQPGJKXFFLLAX-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1C[NH2+]CCN1[C@H](C)C1CCC1 252982050 344924045 /nfs/dbraw/zinc/92/40/45/344924045.db2.gz UOQPGJKXFFLLAX-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[N@@H+](C1CCC1)[C@@H]1CCC[C@H]1N 252981854 344924050 /nfs/dbraw/zinc/92/40/50/344924050.db2.gz TUDKMWBSPSXZPO-NXEZZACHSA-N 1 1 168.284 1.351 10 0 ADAEMO CN(C1CCC1)[C@@H]1CCC[C@H]1[NH3+] 252981854 344924051 /nfs/dbraw/zinc/92/40/51/344924051.db2.gz TUDKMWBSPSXZPO-NXEZZACHSA-N 1 1 168.284 1.351 10 0 ADAEMO CC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)C1 252978655 344924055 /nfs/dbraw/zinc/92/40/55/344924055.db2.gz CYHRAEJVIPIOSW-HTQZYQBOSA-N 1 1 187.308 1.401 10 0 ADAEMO CC(=O)[C@@H](C)[N@H+]1CCS[C@H](C)C1 252978655 344924057 /nfs/dbraw/zinc/92/40/57/344924057.db2.gz CYHRAEJVIPIOSW-HTQZYQBOSA-N 1 1 187.308 1.401 10 0 ADAEMO C[C@H]1C[N@H+]([C@H]2CCCC2=O)CCS1 252980357 344924062 /nfs/dbraw/zinc/92/40/62/344924062.db2.gz LYWNTZMBSQDZAF-IUCAKERBSA-N 1 1 199.319 1.545 10 0 ADAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@@H](C)[C@H](N)C1 253038478 344924627 /nfs/dbraw/zinc/92/46/27/344924627.db2.gz ZCICYLDDFRHYIN-JFGNBEQYSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H](CC1CC1)N1CC[C@@H](C)[C@H]([NH3+])C1 253038478 344924631 /nfs/dbraw/zinc/92/46/31/344924631.db2.gz ZCICYLDDFRHYIN-JFGNBEQYSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1C[N@H+](CC2(N)CC2)CC[C@H]1C 253057140 344925084 /nfs/dbraw/zinc/92/50/84/344925084.db2.gz BAVFZHFSUTYIRM-NXEZZACHSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1CN(CC2([NH3+])CC2)CC[C@H]1C 253057140 344925085 /nfs/dbraw/zinc/92/50/85/344925085.db2.gz BAVFZHFSUTYIRM-NXEZZACHSA-N 1 1 182.311 1.456 10 0 ADAEMO CN[C@H](C)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C)C1 253055119 344925319 /nfs/dbraw/zinc/92/53/19/344925319.db2.gz ADKXBXCYPRFPQQ-QCNOEVLYSA-N 1 1 198.354 1.961 10 0 ADAEMO CN[C@H](C)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C)C1 253055119 344925323 /nfs/dbraw/zinc/92/53/23/344925323.db2.gz ADKXBXCYPRFPQQ-QCNOEVLYSA-N 1 1 198.354 1.961 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CCC[C@H]1N 253066197 344925657 /nfs/dbraw/zinc/92/56/57/344925657.db2.gz IZCZYKTYJIGFRN-LMLFDSFASA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H](N)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C)C1 253059969 344925691 /nfs/dbraw/zinc/92/56/91/344925691.db2.gz CSMLEHFHKRXROZ-ZNSHCXBVSA-N 1 1 184.327 1.700 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)N1CC[C@@H](C)[C@H](C)C1 253059969 344925693 /nfs/dbraw/zinc/92/56/93/344925693.db2.gz CSMLEHFHKRXROZ-ZNSHCXBVSA-N 1 1 184.327 1.700 10 0 ADAEMO C[C@H](O)C[C@H](C)[N@H+]1C[C@@H](C)C[C@H]1C 253065417 344925705 /nfs/dbraw/zinc/92/57/05/344925705.db2.gz IIQYOFIFURMIRP-VLEAKVRGSA-N 1 1 185.311 1.876 10 0 ADAEMO CC[C@](C)(N)C[N@H+]1C[C@@H](C)C[C@H]1C 253071670 344925712 /nfs/dbraw/zinc/92/57/12/344925712.db2.gz NJQNDRYYKHNSIC-AXFHLTTASA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CCC[C@@H]1N 253066198 344925723 /nfs/dbraw/zinc/92/57/23/344925723.db2.gz IZCZYKTYJIGFRN-RCWTZXSCSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+]1[C@H](C)CN 253070450 344925756 /nfs/dbraw/zinc/92/57/56/344925756.db2.gz MJRAFMMRUDAUSV-HRDYMLBCSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@@H]1C[C@@H](C)[N@@H+]([C@H](C)C(N)=S)C1 253068854 344925760 /nfs/dbraw/zinc/92/57/60/344925760.db2.gz LDMWXQZEPQLBBJ-BWZBUEFSSA-N 1 1 186.324 1.391 10 0 ADAEMO C[C@@H]1C[C@@H](C)[N@@H+]([C@H](C)CN)C1 253070451 344925768 /nfs/dbraw/zinc/92/57/68/344925768.db2.gz MJRAFMMRUDAUSV-IWSPIJDZSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2(N)CC2)C[C@H]1C 253057142 344925771 /nfs/dbraw/zinc/92/57/71/344925771.db2.gz BAVFZHFSUTYIRM-VHSXEESVSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1CCN(CC2([NH3+])CC2)C[C@H]1C 253057142 344925772 /nfs/dbraw/zinc/92/57/72/344925772.db2.gz BAVFZHFSUTYIRM-VHSXEESVSA-N 1 1 182.311 1.456 10 0 ADAEMO CC(=O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 253061425 344925798 /nfs/dbraw/zinc/92/57/98/344925798.db2.gz DZXVEPNHHRZMNU-DTWKUNHWSA-N 1 1 169.268 1.553 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCCCN1 253065323 344925809 /nfs/dbraw/zinc/92/58/09/344925809.db2.gz IGNMSJNOFGURDZ-GRYCIOLGSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCCCN1 253065323 344925812 /nfs/dbraw/zinc/92/58/12/344925812.db2.gz IGNMSJNOFGURDZ-GRYCIOLGSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CC[N@@H+](CC(C)(C)CO)C[C@H]1C 253063080 344925822 /nfs/dbraw/zinc/92/58/22/344925822.db2.gz GJGNVIHTGOHUKN-WDEREUQCSA-N 1 1 199.338 1.983 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C)C1 253070313 344925839 /nfs/dbraw/zinc/92/58/39/344925839.db2.gz MGVZZSJHLZMVPJ-BBBLOLIVSA-N 1 1 183.295 1.942 10 0 ADAEMO C[C@H](O)C[C@H](C)[N@H+]1C[C@H](C)C[C@H]1C 253065418 344925919 /nfs/dbraw/zinc/92/59/19/344925919.db2.gz IIQYOFIFURMIRP-ZNSHCXBVSA-N 1 1 185.311 1.876 10 0 ADAEMO C[C@H](N)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C)C1 253059967 344925936 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1.466 10 0 ADAEMO C[C@H]1C[N@H+](CC[C@@H](C)F)C[C@@H](C)O1 306148848 345037812 /nfs/dbraw/zinc/03/78/12/345037812.db2.gz CTDBKKUOTMBGSV-BBBLOLIVSA-N 1 1 189.274 1.844 10 0 ADAEMO C[C@H](F)CC[N@H+]1C[C@H](C)O[C@H](C)C1 306148849 345037878 /nfs/dbraw/zinc/03/78/78/345037878.db2.gz CTDBKKUOTMBGSV-LPEHRKFASA-N 1 1 189.274 1.844 10 0 ADAEMO C[C@H]1COCC[N@@H+]1Cc1cc[nH]c1 306150386 345039374 /nfs/dbraw/zinc/03/93/74/345039374.db2.gz BBSCHPFOAGNORW-VIFPVBQESA-N 1 1 180.251 1.235 10 0 ADAEMO C[C@H]1COCC[N@H+]1Cc1cc[nH]c1 306150386 345039379 /nfs/dbraw/zinc/03/93/79/345039379.db2.gz BBSCHPFOAGNORW-VIFPVBQESA-N 1 1 180.251 1.235 10 0 ADAEMO C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 306150239 345039654 /nfs/dbraw/zinc/03/96/54/345039654.db2.gz FYEQREKGCNESEV-CHWFTXMASA-N 1 1 180.295 1.079 10 0 ADAEMO C[C@@H]1CC[C@H]1Nc1ccc(N)[nH+]c1 306150879 345040186 /nfs/dbraw/zinc/04/01/86/345040186.db2.gz FSSVMSNXVUXDGG-VXNVDRBHSA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@H]1CC[C@H]1Nc1ccc(N)[nH+]c1 306150877 345040159 /nfs/dbraw/zinc/04/01/59/345040159.db2.gz FSSVMSNXVUXDGG-IONNQARKSA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@H]1CC[C@@H]1Nc1ccc(N)[nH+]c1 306150875 345040440 /nfs/dbraw/zinc/04/04/40/345040440.db2.gz FSSVMSNXVUXDGG-CBAPKCEASA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@@H]1CC[C@@H]1Nc1ccc(N)[nH+]c1 306150873 345040467 /nfs/dbraw/zinc/04/04/67/345040467.db2.gz FSSVMSNXVUXDGG-APPZFPTMSA-N 1 1 177.251 1.874 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H]1C 306151140 345040637 /nfs/dbraw/zinc/04/06/37/345040637.db2.gz BQAVEIYSGMHPAG-CIUDSAMLSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@@H+]1CC[C@H](N)[C@@H]1C 306151140 345040641 /nfs/dbraw/zinc/04/06/41/345040641.db2.gz BQAVEIYSGMHPAG-CIUDSAMLSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H](N)[C@@H]1C 306151140 345040645 /nfs/dbraw/zinc/04/06/45/345040645.db2.gz BQAVEIYSGMHPAG-CIUDSAMLSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H]1C 306151146 345040739 /nfs/dbraw/zinc/04/07/39/345040739.db2.gz BQAVEIYSGMHPAG-YIZRAAEISA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@@H+]1CC[C@H](N)[C@H]1C 306151146 345040742 /nfs/dbraw/zinc/04/07/42/345040742.db2.gz BQAVEIYSGMHPAG-YIZRAAEISA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@H](N)[C@H]1C 306151146 345040745 /nfs/dbraw/zinc/04/07/45/345040745.db2.gz BQAVEIYSGMHPAG-YIZRAAEISA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H]1C 306151144 345040795 /nfs/dbraw/zinc/04/07/95/345040795.db2.gz BQAVEIYSGMHPAG-XHNCKOQMSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@@H]1C 306151144 345040798 /nfs/dbraw/zinc/04/07/98/345040798.db2.gz BQAVEIYSGMHPAG-XHNCKOQMSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H](N)[C@@H]1C 306151144 345040803 /nfs/dbraw/zinc/04/08/03/345040803.db2.gz BQAVEIYSGMHPAG-XHNCKOQMSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C 306151142 345040888 /nfs/dbraw/zinc/04/08/88/345040888.db2.gz BQAVEIYSGMHPAG-DJLDLDEBSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H]1C 306151142 345040892 /nfs/dbraw/zinc/04/08/92/345040892.db2.gz BQAVEIYSGMHPAG-DJLDLDEBSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@H+]1CC[C@@H](N)[C@H]1C 306151142 345040896 /nfs/dbraw/zinc/04/08/96/345040896.db2.gz BQAVEIYSGMHPAG-DJLDLDEBSA-N 1 1 156.273 1.206 10 0 ADAEMO CN1CC(Nc2cc[nH+]cc2Cl)C1 306153390 345044163 /nfs/dbraw/zinc/04/41/63/345044163.db2.gz AXNKGTRJUOJAOT-UHFFFAOYSA-N 1 1 197.669 1.461 10 0 ADAEMO NC(=S)C[N@H+]1CCCC12CCCC2 306153903 345044483 /nfs/dbraw/zinc/04/44/83/345044483.db2.gz HYIWAWRDSBRQKG-UHFFFAOYSA-N 1 1 198.335 1.681 10 0 ADAEMO CNc1nccc(C[N@@H+](C)C2CC2)n1 306154307 345044557 /nfs/dbraw/zinc/04/45/57/345044557.db2.gz BEFQWTXWIRCKMY-UHFFFAOYSA-N 1 1 192.266 1.113 10 0 ADAEMO CNc1nc(C)[nH+]c(C)c1OC 306154273 345044756 /nfs/dbraw/zinc/04/47/56/345044756.db2.gz KEQOJIGBWGQLRN-UHFFFAOYSA-N 1 1 167.212 1.144 10 0 ADAEMO Cc1cnc(C[NH+]2CCC2)c(C)n1 306154351 345045406 /nfs/dbraw/zinc/04/54/06/345045406.db2.gz BJOYHVIIULVIMT-UHFFFAOYSA-N 1 1 177.251 1.299 10 0 ADAEMO C[C@H]1C[C@@H](C)CC[N@@H+](CCN)C1 306154863 345045876 /nfs/dbraw/zinc/04/58/76/345045876.db2.gz IJEABPUCXRWSNJ-UWVGGRQHSA-N 1 1 170.300 1.313 10 0 ADAEMO C[C@H]1C[C@@H](C)CCN(CC[NH3+])C1 306154863 345045878 /nfs/dbraw/zinc/04/58/78/345045878.db2.gz IJEABPUCXRWSNJ-UWVGGRQHSA-N 1 1 170.300 1.313 10 0 ADAEMO C[C@@H]1CC[N@@H+](CCN)C[C@@H](C)C1 306154868 345045884 /nfs/dbraw/zinc/04/58/84/345045884.db2.gz IJEABPUCXRWSNJ-ZJUUUORDSA-N 1 1 170.300 1.313 10 0 ADAEMO C[C@@H]1CCN(CC[NH3+])C[C@@H](C)C1 306154868 345045886 /nfs/dbraw/zinc/04/58/86/345045886.db2.gz IJEABPUCXRWSNJ-ZJUUUORDSA-N 1 1 170.300 1.313 10 0 ADAEMO C[C@H]1CC[N@@H+](CCN)C[C@H](C)C1 306154866 345045912 /nfs/dbraw/zinc/04/59/12/345045912.db2.gz IJEABPUCXRWSNJ-VHSXEESVSA-N 1 1 170.300 1.313 10 0 ADAEMO C[C@H]1CCN(CC[NH3+])C[C@H](C)C1 306154866 345045914 /nfs/dbraw/zinc/04/59/14/345045914.db2.gz IJEABPUCXRWSNJ-VHSXEESVSA-N 1 1 170.300 1.313 10 0 ADAEMO C[N@@H+]1[C@H](CN)CC[C@@H]2CCCC[C@@H]21 306155614 345046343 /nfs/dbraw/zinc/04/63/43/345046343.db2.gz LBRJFMOPVRHKIL-DCAQKATOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1[C@H](CN)CC[C@@H]2CCCC[C@@H]21 306155614 345046346 /nfs/dbraw/zinc/04/63/46/345046346.db2.gz LBRJFMOPVRHKIL-DCAQKATOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@@H+]1[C@H](CN)CC[C@H]2CCCC[C@@H]21 306155620 345046405 /nfs/dbraw/zinc/04/64/05/345046405.db2.gz LBRJFMOPVRHKIL-VWYCJHECSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1[C@H](CN)CC[C@H]2CCCC[C@@H]21 306155620 345046408 /nfs/dbraw/zinc/04/64/08/345046408.db2.gz LBRJFMOPVRHKIL-VWYCJHECSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@@H+]1[C@H](CN)CC[C@H]2CCCC[C@H]21 306155618 345046515 /nfs/dbraw/zinc/04/65/15/345046515.db2.gz LBRJFMOPVRHKIL-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1[C@H](CN)CC[C@H]2CCCC[C@H]21 306155618 345046516 /nfs/dbraw/zinc/04/65/16/345046516.db2.gz LBRJFMOPVRHKIL-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@@H+]1[C@H](CN)CC[C@@H]2CCCC[C@H]21 306155616 345046543 /nfs/dbraw/zinc/04/65/43/345046543.db2.gz LBRJFMOPVRHKIL-GARJFASQSA-N 1 1 182.311 1.598 10 0 ADAEMO C[N@H+]1[C@H](CN)CC[C@@H]2CCCC[C@H]21 306155616 345046545 /nfs/dbraw/zinc/04/65/45/345046545.db2.gz LBRJFMOPVRHKIL-GARJFASQSA-N 1 1 182.311 1.598 10 0 ADAEMO Cc1cc(CN2CC(C)C2)n[nH]1 306156018 345046859 /nfs/dbraw/zinc/04/68/59/345046859.db2.gz IOHFKYDQTYBKSZ-UHFFFAOYSA-N 1 1 165.240 1.170 10 0 ADAEMO Cc1cc(C[NH+]2CC(C)C2)[nH]n1 306156018 345046862 /nfs/dbraw/zinc/04/68/62/345046862.db2.gz IOHFKYDQTYBKSZ-UHFFFAOYSA-N 1 1 165.240 1.170 10 0 ADAEMO CC[N@H+]1CC[C@@H](Nc2cnns2)C1 306155801 345047092 /nfs/dbraw/zinc/04/70/92/345047092.db2.gz CBQQSUDICXWFTB-SSDOTTSWSA-N 1 1 198.295 1.044 10 0 ADAEMO CC1(C[N@H+]2CC[C@@H](O)C2)CCCC1 306155938 345047157 /nfs/dbraw/zinc/04/71/57/345047157.db2.gz LPUHROZNBDKACF-SNVBAGLBSA-N 1 1 183.295 1.633 10 0 ADAEMO Cc1nccc(N2CC([NH3+])C2)c1Cl 306156060 345047172 /nfs/dbraw/zinc/04/71/72/345047172.db2.gz IRGJNAWWYHDYNQ-UHFFFAOYSA-N 1 1 197.669 1.191 10 0 ADAEMO CC[N@H+]1CC[C@H](Nc2cnns2)C1 306155802 345047381 /nfs/dbraw/zinc/04/73/81/345047381.db2.gz CBQQSUDICXWFTB-ZETCQYMHSA-N 1 1 198.295 1.044 10 0 ADAEMO C[C@H]1C[NH2+]CCN1[C@H]1CC[C@H]1C 306159334 345049455 /nfs/dbraw/zinc/04/94/55/345049455.db2.gz DCRMTYXORVFDAL-UTLUCORTSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@@H]1CC[C@H]1C 306159320 345049233 /nfs/dbraw/zinc/04/92/33/345049233.db2.gz DCRMTYXORVFDAL-KXUCPTDWSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1C[NH2+]CCN1[C@@H]1CC[C@H]1C 306159320 345049234 /nfs/dbraw/zinc/04/92/34/345049234.db2.gz DCRMTYXORVFDAL-KXUCPTDWSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1CC[C@H]1[N@H+]1CCNC[C@H]1C 306159327 345049413 /nfs/dbraw/zinc/04/94/13/345049413.db2.gz DCRMTYXORVFDAL-OPRDCNLKSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1CC[C@H]1N1CC[NH2+]C[C@H]1C 306159327 345049416 /nfs/dbraw/zinc/04/94/16/345049416.db2.gz DCRMTYXORVFDAL-OPRDCNLKSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@H]1CC[C@H]1C 306159334 345049453 /nfs/dbraw/zinc/04/94/53/345049453.db2.gz DCRMTYXORVFDAL-UTLUCORTSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1CC[C@@H]1[N@H+]1CCNC[C@H]1C 306159314 345049470 /nfs/dbraw/zinc/04/94/70/345049470.db2.gz DCRMTYXORVFDAL-BBBLOLIVSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1CC[C@@H]1N1CC[NH2+]C[C@H]1C 306159314 345049472 /nfs/dbraw/zinc/04/94/72/345049472.db2.gz DCRMTYXORVFDAL-BBBLOLIVSA-N 1 1 168.284 1.079 10 0 ADAEMO CC1(C)CC[N@H+]1Cc1cnc[nH]1 306159330 345049475 /nfs/dbraw/zinc/04/94/75/345049475.db2.gz LGVNLDQGMFEEKV-UHFFFAOYSA-N 1 1 165.240 1.394 10 0 ADAEMO C[C@@H]1CCN[C@H]([C@H](F)C(C)(C)[NH3+])C1 306160038 345050233 /nfs/dbraw/zinc/05/02/33/345050233.db2.gz FFBOUMSBTNRDFI-VGMNWLOBSA-N 1 1 188.290 1.450 10 0 ADAEMO C[C@@H]1CCN[C@@H]([C@H](F)C(C)(C)[NH3+])C1 306160025 345050297 /nfs/dbraw/zinc/05/02/97/345050297.db2.gz FFBOUMSBTNRDFI-HLTSFMKQSA-N 1 1 188.290 1.450 10 0 ADAEMO C[C@@H]1CCN[C@H]([C@@H](F)C(C)(C)[NH3+])C1 306160029 345050465 /nfs/dbraw/zinc/05/04/65/345050465.db2.gz FFBOUMSBTNRDFI-HRDYMLBCSA-N 1 1 188.290 1.450 10 0 ADAEMO C[C@@H]1CCN[C@@H]([C@@H](F)C(C)(C)[NH3+])C1 306160033 345050546 /nfs/dbraw/zinc/05/05/46/345050546.db2.gz FFBOUMSBTNRDFI-IWSPIJDZSA-N 1 1 188.290 1.450 10 0 ADAEMO CO[C@@H]1CC[N@H+]([C@H](C)C2(C)CC2)C1 306161138 345051662 /nfs/dbraw/zinc/05/16/62/345051662.db2.gz PTPXLJFBDBJNSA-NXEZZACHSA-N 1 1 183.295 1.896 10 0 ADAEMO CO[C@@H]1CC[N@H+]([C@@H](C)C2(C)CC2)C1 306161143 345051855 /nfs/dbraw/zinc/05/18/55/345051855.db2.gz PTPXLJFBDBJNSA-VHSXEESVSA-N 1 1 183.295 1.896 10 0 ADAEMO CC[C@@](C)([C@H](C)[NH3+])N1CCC1 306161310 345052279 /nfs/dbraw/zinc/05/22/79/345052279.db2.gz GRBDLTPIQNXECY-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@](C)([C@H](C)N)[NH+]1CCC1 306161310 345052281 /nfs/dbraw/zinc/05/22/81/345052281.db2.gz GRBDLTPIQNXECY-IUCAKERBSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@](C)([C@H](C)[NH3+])N1CCC1 306161305 345052374 /nfs/dbraw/zinc/05/23/74/345052374.db2.gz GRBDLTPIQNXECY-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@](C)([C@H](C)N)[NH+]1CCC1 306161305 345052375 /nfs/dbraw/zinc/05/23/75/345052375.db2.gz GRBDLTPIQNXECY-DTWKUNHWSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@](C)([C@@H](C)[NH3+])N1CCC1 306161297 345052409 /nfs/dbraw/zinc/05/24/09/345052409.db2.gz GRBDLTPIQNXECY-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@](C)([C@@H](C)N)[NH+]1CCC1 306161297 345052412 /nfs/dbraw/zinc/05/24/12/345052412.db2.gz GRBDLTPIQNXECY-BDAKNGLRSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@](C)([C@@H](C)N)[NH+]1CCC1 306161316 345052474 /nfs/dbraw/zinc/05/24/74/345052474.db2.gz GRBDLTPIQNXECY-RKDXNWHRSA-N 1 1 156.273 1.208 10 0 ADAEMO Nc1[nH+]c2ccncc2n1C1CC1 306162731 345054330 /nfs/dbraw/zinc/05/43/30/345054330.db2.gz WUGZVMYNRCFWJT-UHFFFAOYSA-N 1 1 174.207 1.348 10 0 ADAEMO C[C@H]1CCN1C[C@@]1(C)CC[NH2+]C1 306164020 345055108 /nfs/dbraw/zinc/05/51/08/345055108.db2.gz BFOFJLVMFZGEMM-UWVGGRQHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1C[C@@H]([N@@H+](C)CC2CC2)C(=O)O1 306164035 345055123 /nfs/dbraw/zinc/05/51/23/345055123.db2.gz RUWFZZZTEVDNPZ-VXNVDRBHSA-N 1 1 183.251 1.032 10 0 ADAEMO C[C@H]1CCN1C[C@]1(C)CC[NH2+]C1 306164028 345055170 /nfs/dbraw/zinc/05/51/70/345055170.db2.gz BFOFJLVMFZGEMM-VHSXEESVSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]1C[C@@H]([N@@H+](C)CC2CC2)C(=O)O1 306164032 345055202 /nfs/dbraw/zinc/05/52/02/345055202.db2.gz RUWFZZZTEVDNPZ-IONNQARKSA-N 1 1 183.251 1.032 10 0 ADAEMO C[C@@H]1CCN1C[C@@]1(C)CC[NH2+]C1 306164030 345055218 /nfs/dbraw/zinc/05/52/18/345055218.db2.gz BFOFJLVMFZGEMM-ZJUUUORDSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1CCN1C[C@]1(C)CC[NH2+]C1 306164015 345055330 /nfs/dbraw/zinc/05/53/30/345055330.db2.gz BFOFJLVMFZGEMM-NXEZZACHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1C[C@H]([N@@H+](C)CC2CC2)C(=O)O1 306164027 345055518 /nfs/dbraw/zinc/05/55/18/345055518.db2.gz RUWFZZZTEVDNPZ-APPZFPTMSA-N 1 1 183.251 1.032 10 0 ADAEMO C[C@H]1C[C@H]([N@@H+](C)CC2CC2)C(=O)O1 306164029 345055551 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182.311 1.421 10 0 ADAEMO CCN(C1CC1)[C@@H]1C[N@@H+](C)C[C@@H]1C 306245157 345137162 /nfs/dbraw/zinc/13/71/62/345137162.db2.gz UUUMCTFCKBNCQQ-GXSJLCMTSA-N 1 1 182.311 1.421 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1CN(C)C[C@@H]1C 306245157 345137156 /nfs/dbraw/zinc/13/71/56/345137156.db2.gz UUUMCTFCKBNCQQ-GXSJLCMTSA-N 1 1 182.311 1.421 10 0 ADAEMO CCN(C1CC1)[C@@H]1C[N@H+](C)C[C@@H]1C 306245157 345137159 /nfs/dbraw/zinc/13/71/59/345137159.db2.gz UUUMCTFCKBNCQQ-GXSJLCMTSA-N 1 1 182.311 1.421 10 0 ADAEMO CC[N@@H+](C1CC1)[C@H]1CN(C)C[C@H]1C 306245167 345137188 /nfs/dbraw/zinc/13/71/88/345137188.db2.gz UUUMCTFCKBNCQQ-KOLCDFICSA-N 1 1 182.311 1.421 10 0 ADAEMO CCN(C1CC1)[C@H]1C[N@@H+](C)C[C@H]1C 306245167 345137193 /nfs/dbraw/zinc/13/71/93/345137193.db2.gz UUUMCTFCKBNCQQ-KOLCDFICSA-N 1 1 182.311 1.421 10 0 ADAEMO CC[N@@H+](C1CC1)[C@@H]1CN(C)C[C@H]1C 306245179 345137237 /nfs/dbraw/zinc/13/72/37/345137237.db2.gz UUUMCTFCKBNCQQ-MWLCHTKSSA-N 1 1 182.311 1.421 10 0 ADAEMO CCN(C1CC1)[C@@H]1C[N@H+](C)C[C@H]1C 306245179 345137239 /nfs/dbraw/zinc/13/72/39/345137239.db2.gz UUUMCTFCKBNCQQ-MWLCHTKSSA-N 1 1 182.311 1.421 10 0 ADAEMO CCN(C1CC1)[C@@H]1C[N@@H+](C)C[C@H]1C 306245179 345137243 /nfs/dbraw/zinc/13/72/43/345137243.db2.gz UUUMCTFCKBNCQQ-MWLCHTKSSA-N 1 1 182.311 1.421 10 0 ADAEMO Nc1ccc[nH+]c1N1CCC(F)(F)C1 306245922 345137680 /nfs/dbraw/zinc/13/76/80/345137680.db2.gz VGHGTTLFKDWHIK-UHFFFAOYSA-N 1 1 199.204 1.509 10 0 ADAEMO CC1CC([N@H+]2CC[C@](C)(O)C2)C1 306246948 345138908 /nfs/dbraw/zinc/13/89/08/345138908.db2.gz OTEGGTSZPXLIAJ-RTBKNWGFSA-N 1 1 169.268 1.242 10 0 ADAEMO CC1CC([N@H+]2CC[C@@](C)(O)C2)C1 306246950 345139005 /nfs/dbraw/zinc/13/90/05/345139005.db2.gz OTEGGTSZPXLIAJ-UDNWOFFPSA-N 1 1 169.268 1.242 10 0 ADAEMO CC(=O)[C@@H](C)[NH+]1CC(C)(C)C1 306248358 345140245 /nfs/dbraw/zinc/14/02/45/345140245.db2.gz YQHVMDQQTKUHNN-SSDOTTSWSA-N 1 1 155.241 1.306 10 0 ADAEMO Nc1ccc([NH2+]CCCF)cc1N 306248496 345140395 /nfs/dbraw/zinc/14/03/95/345140395.db2.gz UWSVOJYYCCNXBT-UHFFFAOYSA-N 1 1 183.230 1.623 10 0 ADAEMO CC(=O)[C@H](C)[NH+]1CC(C)(C)C1 306248359 345140415 /nfs/dbraw/zinc/14/04/15/345140415.db2.gz YQHVMDQQTKUHNN-ZETCQYMHSA-N 1 1 155.241 1.306 10 0 ADAEMO Cc1c[nH]c(N2CCC(F)(F)C2)[nH+]1 306248976 345140969 /nfs/dbraw/zinc/14/09/69/345140969.db2.gz VNLVXSXQSONQOD-UHFFFAOYSA-N 1 1 187.193 1.564 10 0 ADAEMO C[C@H]([NH3+])[C@](C)(F)[C@@H]1C[C@H](C)CCN1 306250929 345142325 /nfs/dbraw/zinc/14/23/25/345142325.db2.gz QEYIMFFBEVMLPJ-KATARQTJSA-N 1 1 188.290 1.450 10 0 ADAEMO C[C@@H]1CCN[C@H]([C@](C)(F)[C@@H](C)[NH3+])C1 306250927 345142356 /nfs/dbraw/zinc/14/23/56/345142356.db2.gz QEYIMFFBEVMLPJ-DOLQZWNJSA-N 1 1 188.290 1.450 10 0 ADAEMO C[C@H]([NH3+])[C@@](C)(F)[C@@H]1C[C@H](C)CCN1 306250930 345142372 /nfs/dbraw/zinc/14/23/72/345142372.db2.gz QEYIMFFBEVMLPJ-XFWSIPNHSA-N 1 1 188.290 1.450 10 0 ADAEMO C[C@@H]1CCN[C@H]([C@@](C)(F)[C@@H](C)[NH3+])C1 306250928 345142599 /nfs/dbraw/zinc/14/25/99/345142599.db2.gz QEYIMFFBEVMLPJ-IMSYWVGJSA-N 1 1 188.290 1.450 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1NC1CCCC1 306251869 345143562 /nfs/dbraw/zinc/14/35/62/345143562.db2.gz RHOJBJMADOVZTF-WCBMZHEXSA-N 1 1 168.284 1.269 10 0 ADAEMO C[C@H]1[NH2+]CC[C@@H]1NC1CCCC1 306251868 345143576 /nfs/dbraw/zinc/14/35/76/345143576.db2.gz RHOJBJMADOVZTF-SCZZXKLOSA-N 1 1 168.284 1.269 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@@H]1NC1CCCC1 306251871 345143631 /nfs/dbraw/zinc/14/36/31/345143631.db2.gz RHOJBJMADOVZTF-WPRPVWTQSA-N 1 1 168.284 1.269 10 0 ADAEMO CC[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 306251791 345143696 /nfs/dbraw/zinc/14/36/96/345143696.db2.gz UMAYOMVSJAPIKS-VHSXEESVSA-N 1 1 168.284 1.067 10 0 ADAEMO CC[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 306251792 345143826 /nfs/dbraw/zinc/14/38/26/345143826.db2.gz UMAYOMVSJAPIKS-ZJUUUORDSA-N 1 1 168.284 1.067 10 0 ADAEMO C[C@H]1[NH2+]CC[C@H]1NC1CCCC1 306251866 345143838 /nfs/dbraw/zinc/14/38/38/345143838.db2.gz RHOJBJMADOVZTF-PSASIEDQSA-N 1 1 168.284 1.269 10 0 ADAEMO CC[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 306251789 345143869 /nfs/dbraw/zinc/14/38/69/345143869.db2.gz UMAYOMVSJAPIKS-NXEZZACHSA-N 1 1 168.284 1.067 10 0 ADAEMO C[C@H]1CC[C@H]1[NH2+]Cc1ccn[nH]1 306252423 345144192 /nfs/dbraw/zinc/14/41/92/345144192.db2.gz MDBJJCKOXZWGCF-IONNQARKSA-N 1 1 165.240 1.298 10 0 ADAEMO C[C@H]1CC[C@@H]1[NH2+]Cc1ccn[nH]1 306252422 345144368 /nfs/dbraw/zinc/14/43/68/345144368.db2.gz MDBJJCKOXZWGCF-CBAPKCEASA-N 1 1 165.240 1.298 10 0 ADAEMO CC(C)[N@@H+](C)[C@@]1(CN)CC[C@@H]1C 306253458 345144667 /nfs/dbraw/zinc/14/46/67/345144667.db2.gz MZOUKHJZHXGLBR-VHSXEESVSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[N@@H+](C)[C@@]1(CN)CC[C@H]1C 306253454 345144766 /nfs/dbraw/zinc/14/47/66/345144766.db2.gz MZOUKHJZHXGLBR-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[N@@H+](C)[C@]1(CN)CC[C@H]1C 306253460 345144795 /nfs/dbraw/zinc/14/47/95/345144795.db2.gz MZOUKHJZHXGLBR-ZJUUUORDSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[N@@H+](C)[C@]1(CN)CC[C@@H]1C 306253456 345144938 /nfs/dbraw/zinc/14/49/38/345144938.db2.gz MZOUKHJZHXGLBR-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@@H](C1CC1)[N@H+]1CCNC[C@H]1C 306254066 345145194 /nfs/dbraw/zinc/14/51/94/345145194.db2.gz TVOMERZJDFZMBW-KOLCDFICSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H](N1CC[C@H]([NH3+])[C@H]1C)C1(C)CC1 306254096 345145230 /nfs/dbraw/zinc/14/52/30/345145230.db2.gz TYEPHFYQFBWJMO-UTLUCORTSA-N 1 1 182.311 1.597 10 0 ADAEMO CC[C@H](C1CC1)[N@H+]1CCNC[C@H]1C 306254067 345145213 /nfs/dbraw/zinc/14/52/13/345145213.db2.gz TVOMERZJDFZMBW-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO CC1(c2ncc(CO)[nH]2)CCCC1 306254154 345145218 /nfs/dbraw/zinc/14/52/18/345145218.db2.gz UFEPPXBMPOXZFL-UHFFFAOYSA-N 1 1 180.251 1.734 10 0 ADAEMO C[C@H]([N@H+]1CC[C@H](N)[C@H]1C)C1(C)CC1 306254096 345145228 /nfs/dbraw/zinc/14/52/28/345145228.db2.gz TYEPHFYQFBWJMO-UTLUCORTSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1[C@@H](N)CC[N@@H+]1[C@H](C)C1(C)CC1 306254092 345145320 /nfs/dbraw/zinc/14/53/20/345145320.db2.gz TYEPHFYQFBWJMO-BBBLOLIVSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1[C@@H]([NH3+])CCN1[C@H](C)C1(C)CC1 306254092 345145322 /nfs/dbraw/zinc/14/53/22/345145322.db2.gz TYEPHFYQFBWJMO-BBBLOLIVSA-N 1 1 182.311 1.597 10 0 ADAEMO CC[C@@H](C1CC1)[N@H+]1CCNC[C@@H]1C 306254068 345145325 /nfs/dbraw/zinc/14/53/25/345145325.db2.gz TVOMERZJDFZMBW-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H](C1CC1)[N@H+]1CCNC[C@@H]1C 306254064 345145390 /nfs/dbraw/zinc/14/53/90/345145390.db2.gz TVOMERZJDFZMBW-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1[C@H](N)CC[N@@H+]1[C@H](C)C1(C)CC1 306254095 345145496 /nfs/dbraw/zinc/14/54/96/345145496.db2.gz TYEPHFYQFBWJMO-OPRDCNLKSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1[C@H]([NH3+])CCN1[C@H](C)C1(C)CC1 306254095 345145499 /nfs/dbraw/zinc/14/54/99/345145499.db2.gz TYEPHFYQFBWJMO-OPRDCNLKSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]([N@H+]1CC[C@@H](N)[C@H]1C)C1(C)CC1 306254093 345145521 /nfs/dbraw/zinc/14/55/21/345145521.db2.gz TYEPHFYQFBWJMO-KXUCPTDWSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H](N1CC[C@@H]([NH3+])[C@H]1C)C1(C)CC1 306254093 345145524 /nfs/dbraw/zinc/14/55/24/345145524.db2.gz TYEPHFYQFBWJMO-KXUCPTDWSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@H]([NH3+])[C@H]2C)C[C@H]1C 306255141 345146300 /nfs/dbraw/zinc/14/63/00/345146300.db2.gz OTOYKRQXBNIYCX-XXFSISAASA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@@H]1[C@@H]([N@@H+]2CC[C@H](N)[C@H]2C)C[C@H]1C 306255141 345146305 /nfs/dbraw/zinc/14/63/05/345146305.db2.gz OTOYKRQXBNIYCX-XXFSISAASA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@H](N)[C@H]2C)C[C@H]1C 306255141 345146308 /nfs/dbraw/zinc/14/63/08/345146308.db2.gz OTOYKRQXBNIYCX-XXFSISAASA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@H]1C[C@@H](C)[C@H]1C 306255140 345146529 /nfs/dbraw/zinc/14/65/29/345146529.db2.gz OTOYKRQXBNIYCX-UVOCVTCTSA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@H+]1[C@H]1C[C@@H](C)[C@H]1C 306255140 345146530 /nfs/dbraw/zinc/14/65/30/345146530.db2.gz OTOYKRQXBNIYCX-UVOCVTCTSA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@@H+]1[C@H]1C[C@@H](C)[C@H]1C 306255140 345146531 /nfs/dbraw/zinc/14/65/31/345146531.db2.gz OTOYKRQXBNIYCX-UVOCVTCTSA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@H]2C)[C@@H]1C 306255138 345146554 /nfs/dbraw/zinc/14/65/54/345146554.db2.gz OTOYKRQXBNIYCX-APLZJWDSSA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](N)[C@H]2C)[C@@H]1C 306255138 345146556 /nfs/dbraw/zinc/14/65/56/345146556.db2.gz OTOYKRQXBNIYCX-APLZJWDSSA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@@H]1C[C@H]([N@H+]2CC[C@H](N)[C@H]2C)[C@@H]1C 306255138 345146557 /nfs/dbraw/zinc/14/65/57/345146557.db2.gz OTOYKRQXBNIYCX-APLZJWDSSA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@H]([NH3+])[C@@H]2C)C[C@H]1C 306255139 345146591 /nfs/dbraw/zinc/14/65/91/345146591.db2.gz OTOYKRQXBNIYCX-NMUGVGKYSA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@@H]1[C@@H]([N@@H+]2CC[C@H](N)[C@@H]2C)C[C@H]1C 306255139 345146592 /nfs/dbraw/zinc/14/65/92/345146592.db2.gz OTOYKRQXBNIYCX-NMUGVGKYSA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@H](N)[C@@H]2C)C[C@H]1C 306255139 345146594 /nfs/dbraw/zinc/14/65/94/345146594.db2.gz OTOYKRQXBNIYCX-NMUGVGKYSA-N 1 1 182.311 1.452 10 0 ADAEMO CC1CC([N@H+]2C[C@H](C)O[C@H](C)C2)C1 306255771 345146957 /nfs/dbraw/zinc/14/69/57/345146957.db2.gz PGSTWATYNAWEFY-GGWWSXTCSA-N 1 1 183.295 1.894 10 0 ADAEMO C[C@@H](N)C[NH+]1CCC2(CCC2)CC1 306255556 345147100 /nfs/dbraw/zinc/14/71/00/345147100.db2.gz MQOJXDQNPXROQL-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO CC(C)C[N@H+]1C[C@H]2CC[NH2+]C[C@@H]2C1 306256794 345148072 /nfs/dbraw/zinc/14/80/72/345148072.db2.gz WZYOLMVZTVGOMH-GHMZBOCLSA-N 1 1 182.311 1.184 10 0 ADAEMO CC[C@]1(CN2CC(C)C2)CCC[NH2+]C1 306259158 345149991 /nfs/dbraw/zinc/14/99/91/345149991.db2.gz ZUDUPMBHYNAULM-LBPRGKRZSA-N 1 1 196.338 1.718 10 0 ADAEMO CNc1nc(N2CCC2)c(C)c[nH+]1 306259225 345150010 /nfs/dbraw/zinc/15/00/10/345150010.db2.gz AJFNZFFRSZAGAM-UHFFFAOYSA-N 1 1 178.239 1.037 10 0 ADAEMO CC[C@@]1(CN2CC(C)C2)CCC[NH2+]C1 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197.322 1.879 10 0 ADAEMO C[C@@H]1C[NH2+]CC[C@@H]1N1CC(C)(C)C1 306317101 345195035 /nfs/dbraw/zinc/19/50/35/345195035.db2.gz DUIXFEUDYAIIRT-ZJUUUORDSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@H]1CC[N@H+]1[C@@H]1CC[NH2+]CC1(C)C 306317062 345195048 /nfs/dbraw/zinc/19/50/48/345195048.db2.gz HQQAACSGOUVVLD-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CC[N@H+]1[C@H]1CC[NH2+]CC1(C)C 306317060 345195063 /nfs/dbraw/zinc/19/50/63/345195063.db2.gz HQQAACSGOUVVLD-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1COCCC[N@H+]1CC1(C)CC1 306317141 345195121 /nfs/dbraw/zinc/19/51/21/345195121.db2.gz FAERWPNLEMTKMV-SNVBAGLBSA-N 1 1 183.295 1.897 10 0 ADAEMO C[C@@H]1CC[N@H+]1[C@H]1CC[NH2+]CC1(C)C 306317063 345195135 /nfs/dbraw/zinc/19/51/35/345195135.db2.gz HQQAACSGOUVVLD-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[N@H+]1[C@@H]1CC[NH2+]CC1(C)C 306317059 345195183 /nfs/dbraw/zinc/19/51/83/345195183.db2.gz HQQAACSGOUVVLD-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[NH2+]CC[C@H]1N1CC(C)(C)C1 306317099 345195239 /nfs/dbraw/zinc/19/52/39/345195239.db2.gz DUIXFEUDYAIIRT-VHSXEESVSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1C[NH2+]CC[C@H]1N1CC(C)(C)C1 306317096 345195258 /nfs/dbraw/zinc/19/52/58/345195258.db2.gz DUIXFEUDYAIIRT-NXEZZACHSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@H]1C[NH2+]CC[C@@H]1N1CC(C)(C)C1 306317097 345195283 /nfs/dbraw/zinc/19/52/83/345195283.db2.gz DUIXFEUDYAIIRT-UWVGGRQHSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@H]1COCCC[N@H+]1CC1(C)CC1 306317139 345195292 /nfs/dbraw/zinc/19/52/92/345195292.db2.gz FAERWPNLEMTKMV-JTQLQIEISA-N 1 1 183.295 1.897 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCC[C@H](CO)C1 306317309 345195778 /nfs/dbraw/zinc/19/57/78/345195778.db2.gz RWECEWPAINZDAT-ZJUUUORDSA-N 1 1 183.295 1.489 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1CCC[C@@H](CO)C1 306317306 345195838 /nfs/dbraw/zinc/19/58/38/345195838.db2.gz RWECEWPAINZDAT-NXEZZACHSA-N 1 1 183.295 1.489 10 0 ADAEMO CC[C@H]1C[N@@H+](C)[C@H](C)CC1=O 306317781 345195907 /nfs/dbraw/zinc/19/59/07/345195907.db2.gz HWHADABRDHTYBJ-SFYZADRCSA-N 1 1 155.241 1.306 10 0 ADAEMO CC[C@@H]1C[N@@H+](C)[C@H](C)CC1=O 306317772 345195936 /nfs/dbraw/zinc/19/59/36/345195936.db2.gz HWHADABRDHTYBJ-HTQZYQBOSA-N 1 1 155.241 1.306 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCC[C@@H](CO)C1 306317308 345195987 /nfs/dbraw/zinc/19/59/87/345195987.db2.gz RWECEWPAINZDAT-VHSXEESVSA-N 1 1 183.295 1.489 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCC[C@H](CO)C1 306317307 345195994 /nfs/dbraw/zinc/19/59/94/345195994.db2.gz RWECEWPAINZDAT-UWVGGRQHSA-N 1 1 183.295 1.489 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1ccc(N)nc1 306318221 345196380 /nfs/dbraw/zinc/19/63/80/345196380.db2.gz FBYLICUQUSSCBM-QMMMGPOBSA-N 1 1 177.251 1.258 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1ccc(N)nc1 306318219 345196526 /nfs/dbraw/zinc/19/65/26/345196526.db2.gz FBYLICUQUSSCBM-MRVPVSSYSA-N 1 1 177.251 1.258 10 0 ADAEMO CCc1ccc[nH+]c1NC1COC1 306318865 345197181 /nfs/dbraw/zinc/19/71/81/345197181.db2.gz UVJFOGZSBCHDTM-UHFFFAOYSA-N 1 1 178.235 1.455 10 0 ADAEMO CC[C@H](F)C[N@H+]1CC[C@@H](O)[C@@H]1C 306319985 345197518 /nfs/dbraw/zinc/19/75/18/345197518.db2.gz SSWIBMHWYDXUIT-XHNCKOQMSA-N 1 1 175.247 1.190 10 0 ADAEMO CC[C@@H](F)C[N@H+]1CC[C@@H](O)[C@@H]1C 306319979 345197523 /nfs/dbraw/zinc/19/75/23/345197523.db2.gz SSWIBMHWYDXUIT-DJLDLDEBSA-N 1 1 175.247 1.190 10 0 ADAEMO CSCC[N@H+]1C[C@@H](O)CC[C@@H]1C 306320379 345197967 /nfs/dbraw/zinc/19/79/67/345197967.db2.gz KRWCOVMENJGZBH-IUCAKERBSA-N 1 1 189.324 1.195 10 0 ADAEMO C[C@H]1CCCC[C@@]1(C)NC1C[NH2+]C1 306320627 345198235 /nfs/dbraw/zinc/19/82/35/345198235.db2.gz LKOXQSHXSAJSTC-GXSJLCMTSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@@H]1CCCC[C@@]1(C)NC1C[NH2+]C1 306320629 345198293 /nfs/dbraw/zinc/19/82/93/345198293.db2.gz LKOXQSHXSAJSTC-MWLCHTKSSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H]1CCCC[C@]1(C)NC1C[NH2+]C1 306320630 345198320 /nfs/dbraw/zinc/19/83/20/345198320.db2.gz LKOXQSHXSAJSTC-ONGXEEELSA-N 1 1 182.311 1.517 10 0 ADAEMO CC(C)(O)C[NH2+][C@@H]1CCCC1(F)F 306321167 345198761 /nfs/dbraw/zinc/19/87/61/345198761.db2.gz TXOJRURSAJWYDZ-SSDOTTSWSA-N 1 1 193.237 1.535 10 0 ADAEMO CC(C)(O)C[NH2+][C@H]1CCCC1(F)F 306321170 345198772 /nfs/dbraw/zinc/19/87/72/345198772.db2.gz TXOJRURSAJWYDZ-ZETCQYMHSA-N 1 1 193.237 1.535 10 0 ADAEMO CC(=O)CC[N@H+]1C[C@H]2CCCC[C@H]21 306321183 345198782 /nfs/dbraw/zinc/19/87/82/345198782.db2.gz TYPYWLMWYDUWLS-GHMZBOCLSA-N 1 1 181.279 1.840 10 0 ADAEMO CC[C@@H]1CC[N@@H+]1Cc1c[nH]cn1 306321355 345198822 /nfs/dbraw/zinc/19/88/22/345198822.db2.gz IPVGSZFDGVMVCZ-SECBINFHSA-N 1 1 165.240 1.394 10 0 ADAEMO CC[C@@H]1CC[N@H+]1Cc1c[nH]cn1 306321355 345198824 /nfs/dbraw/zinc/19/88/24/345198824.db2.gz IPVGSZFDGVMVCZ-SECBINFHSA-N 1 1 165.240 1.394 10 0 ADAEMO CC[C@H]1CC[N@@H+]1Cc1c[nH]cn1 306321357 345198898 /nfs/dbraw/zinc/19/88/98/345198898.db2.gz IPVGSZFDGVMVCZ-VIFPVBQESA-N 1 1 165.240 1.394 10 0 ADAEMO N[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 306321729 345199269 /nfs/dbraw/zinc/19/92/69/345199269.db2.gz LIZRJGVULCFFAI-NWDGAFQWSA-N 1 1 194.322 1.766 10 0 ADAEMO [NH3+][C@@H]1CCCN(C[C@H]2CC=CCC2)C1 306321729 345199274 /nfs/dbraw/zinc/19/92/74/345199274.db2.gz LIZRJGVULCFFAI-NWDGAFQWSA-N 1 1 194.322 1.766 10 0 ADAEMO N[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 306321730 345199325 /nfs/dbraw/zinc/19/93/25/345199325.db2.gz LIZRJGVULCFFAI-RYUDHWBXSA-N 1 1 194.322 1.766 10 0 ADAEMO [NH3+][C@H]1CCCN(C[C@H]2CC=CCC2)C1 306321730 345199328 /nfs/dbraw/zinc/19/93/28/345199328.db2.gz LIZRJGVULCFFAI-RYUDHWBXSA-N 1 1 194.322 1.766 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCO[C@@H](C)C1 306321443 345199449 /nfs/dbraw/zinc/19/94/49/345199449.db2.gz BWZHRLXJCGFAIQ-IUCAKERBSA-N 1 1 157.257 1.506 10 0 ADAEMO CC(C)[N@H+]1CCOC[C@H]1C1CC1 306321480 345199523 /nfs/dbraw/zinc/19/95/23/345199523.db2.gz CADWRDXJJXRQIW-JTQLQIEISA-N 1 1 169.268 1.506 10 0 ADAEMO CC[N@@H+](C)[C@H]1CCO[C@H](C)C1 306321441 345199575 /nfs/dbraw/zinc/19/95/75/345199575.db2.gz BWZHRLXJCGFAIQ-BDAKNGLRSA-N 1 1 157.257 1.506 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCO[C@@H](C)C1 306321442 345199585 /nfs/dbraw/zinc/19/95/85/345199585.db2.gz BWZHRLXJCGFAIQ-DTWKUNHWSA-N 1 1 157.257 1.506 10 0 ADAEMO CC(C)[N@H+]1CCOC[C@@H]1C1CC1 306321481 345199637 /nfs/dbraw/zinc/19/96/37/345199637.db2.gz CADWRDXJJXRQIW-SNVBAGLBSA-N 1 1 169.268 1.506 10 0 ADAEMO CC[N@@H+](C)[C@@H]1CCO[C@H](C)C1 306321444 345199743 /nfs/dbraw/zinc/19/97/43/345199743.db2.gz BWZHRLXJCGFAIQ-RKDXNWHRSA-N 1 1 157.257 1.506 10 0 ADAEMO CCCC[N@H+]1C[C@H](O)C2(CC2)C1 306322490 345200000 /nfs/dbraw/zinc/20/00/00/345200000.db2.gz JYQLVRBQNSXQAJ-VIFPVBQESA-N 1 1 169.268 1.243 10 0 ADAEMO CCCC[N@H+]1C[C@@H](O)C2(CC2)C1 306322484 345200234 /nfs/dbraw/zinc/20/02/34/345200234.db2.gz JYQLVRBQNSXQAJ-SECBINFHSA-N 1 1 169.268 1.243 10 0 ADAEMO C[C@@]1(CO)CCC[N@H+](C2CCC2)C1 306323187 345200900 /nfs/dbraw/zinc/20/09/00/345200900.db2.gz ZJURIBSJDYYZMW-LLVKDONJSA-N 1 1 183.295 1.633 10 0 ADAEMO C[C@]1(CO)CCC[N@H+](C2CCC2)C1 306323189 345200758 /nfs/dbraw/zinc/20/07/58/345200758.db2.gz ZJURIBSJDYYZMW-NSHDSACASA-N 1 1 183.295 1.633 10 0 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/nfs/dbraw/zinc/20/32/58/345203258.db2.gz WXJHHNVRMMKSOL-GHMZBOCLSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2ccccn2)[C@H]1C 306325811 345203290 /nfs/dbraw/zinc/20/32/90/345203290.db2.gz SBVZGHWYVMAISK-UWVGGRQHSA-N 1 1 176.263 1.922 10 0 ADAEMO CC[NH+]1CC(Nc2nc(C)cs2)C1 306326015 345203373 /nfs/dbraw/zinc/20/33/73/345203373.db2.gz WSKOEEAFNAQMIR-UHFFFAOYSA-N 1 1 197.307 1.568 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2(C)CCC2)[C@H]1CN 306326071 345203447 /nfs/dbraw/zinc/20/34/47/345203447.db2.gz WXJHHNVRMMKSOL-MNOVXSKESA-N 1 1 196.338 1.846 10 0 ADAEMO Cc1c[nH]nc1C[N@H+]1CC=CCC1 306326227 345203458 /nfs/dbraw/zinc/20/34/58/345203458.db2.gz MAAYRZTVGWQMMF-UHFFFAOYSA-N 1 1 177.251 1.480 10 0 ADAEMO Cc1cn[nH]c1C[N@H+]1CC=CCC1 306326227 345203463 /nfs/dbraw/zinc/20/34/63/345203463.db2.gz MAAYRZTVGWQMMF-UHFFFAOYSA-N 1 1 177.251 1.480 10 0 ADAEMO Cc1cn[nH]c1C[N@@H+]1CC=CCC1 306326227 345203466 /nfs/dbraw/zinc/20/34/66/345203466.db2.gz MAAYRZTVGWQMMF-UHFFFAOYSA-N 1 1 177.251 1.480 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccccn1 306325813 345203516 /nfs/dbraw/zinc/20/35/16/345203516.db2.gz SBVZGHWYVMAISK-ZJUUUORDSA-N 1 1 176.263 1.922 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2(C)CCC2)[C@@H]1CN 306326075 345203658 /nfs/dbraw/zinc/20/36/58/345203658.db2.gz WXJHHNVRMMKSOL-WDEREUQCSA-N 1 1 196.338 1.846 10 0 ADAEMO Cc1cccc(N[C@H]2C[C@H]2CO)[nH+]1 306326913 345203914 /nfs/dbraw/zinc/20/39/14/345203914.db2.gz XIGGALCAGYIWSO-IUCAKERBSA-N 1 1 178.235 1.183 10 0 ADAEMO Cc1cccc(N[C@H]2C[C@@H]2CO)[nH+]1 306326911 345204187 /nfs/dbraw/zinc/20/41/87/345204187.db2.gz XIGGALCAGYIWSO-BDAKNGLRSA-N 1 1 178.235 1.183 10 0 ADAEMO Cc1cccc(N[C@@H]2C[C@@H]2CO)[nH+]1 306326914 345204333 /nfs/dbraw/zinc/20/43/33/345204333.db2.gz XIGGALCAGYIWSO-RKDXNWHRSA-N 1 1 178.235 1.183 10 0 ADAEMO Cc1cccc(N[C@@H]2C[C@H]2CO)[nH+]1 306326912 345204351 /nfs/dbraw/zinc/20/43/51/345204351.db2.gz XIGGALCAGYIWSO-DTWKUNHWSA-N 1 1 178.235 1.183 10 0 ADAEMO C[C@H]1C[C@H]1[C@@H](C)[N@@H+]1C[C@@H](N)[C@H](C)C1 306330268 345207305 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1.567 10 0 ADAEMO Cc1nc([C@H]([NH3+])c2ccoc2)co1 306356136 345227539 /nfs/dbraw/zinc/22/75/39/345227539.db2.gz KCBHZXIQHXQBJR-SECBINFHSA-N 1 1 178.191 1.624 10 0 ADAEMO Cc1nc([C@@H]([NH3+])c2ccoc2)co1 306356137 345227794 /nfs/dbraw/zinc/22/77/94/345227794.db2.gz KCBHZXIQHXQBJR-VIFPVBQESA-N 1 1 178.191 1.624 10 0 ADAEMO CC[C@@H]1CC[N@H+]1[C@@H]1CCOC1 306357149 345228048 /nfs/dbraw/zinc/22/80/48/345228048.db2.gz DNWYWLMIXSDXCD-RKDXNWHRSA-N 1 1 155.241 1.260 10 0 ADAEMO CC[C@@H]1CC[N@H+]1[C@H]1CCOC1 306357143 345228074 /nfs/dbraw/zinc/22/80/74/345228074.db2.gz DNWYWLMIXSDXCD-BDAKNGLRSA-N 1 1 155.241 1.260 10 0 ADAEMO CC[C@H]1CC[N@H+]1[C@H]1CCOC1 306357147 345228088 /nfs/dbraw/zinc/22/80/88/345228088.db2.gz DNWYWLMIXSDXCD-IUCAKERBSA-N 1 1 155.241 1.260 10 0 ADAEMO Cc1nc(N)cc(N2CC(C)(C)C2)[nH+]1 306357154 345228277 /nfs/dbraw/zinc/22/82/77/345228277.db2.gz UTPRTBBUDZVNSL-UHFFFAOYSA-N 1 1 192.266 1.213 10 0 ADAEMO CC[C@H]1CC[N@H+]1[C@@H]1CCOC1 306357145 345228347 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BFSURABQBDDEDV-KATARQTJSA-N 1 1 168.284 1.206 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@@H+]1[C@H]1CC[C@H]1C 306358669 345229380 /nfs/dbraw/zinc/22/93/80/345229380.db2.gz BFSURABQBDDEDV-KATARQTJSA-N 1 1 168.284 1.206 10 0 ADAEMO C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@@H](N)[C@H]1C 306358672 345229471 /nfs/dbraw/zinc/22/94/71/345229471.db2.gz BFSURABQBDDEDV-KYXWUPHJSA-N 1 1 168.284 1.206 10 0 ADAEMO C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H](N)[C@H]1C 306358672 345229473 /nfs/dbraw/zinc/22/94/73/345229473.db2.gz BFSURABQBDDEDV-KYXWUPHJSA-N 1 1 168.284 1.206 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@H+]1[C@H]1CC[C@H]1C 306358674 345229497 /nfs/dbraw/zinc/22/94/97/345229497.db2.gz BFSURABQBDDEDV-RGOKHQFPSA-N 1 1 168.284 1.206 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@@H+]1[C@H]1CC[C@H]1C 306358674 345229501 /nfs/dbraw/zinc/22/95/01/345229501.db2.gz BFSURABQBDDEDV-RGOKHQFPSA-N 1 1 168.284 1.206 10 0 ADAEMO CC(=O)CC[N@H+]1CCC1(C)C 306359333 345229978 /nfs/dbraw/zinc/22/99/78/345229978.db2.gz LFEVXNBJXPPCOK-UHFFFAOYSA-N 1 1 155.241 1.450 10 0 ADAEMO CC[N@H+]1[C@@H](C)C[C@H]1C 306360641 345231501 /nfs/dbraw/zinc/23/15/01/345231501.db2.gz BLVFSOCHGSCLDX-KNVOCYPGSA-N 1 1 113.204 1.489 10 0 ADAEMO c1c[nH]c(C[N@H+]2CCC[C@H]3C[C@H]32)n1 306363488 345233671 /nfs/dbraw/zinc/23/36/71/345233671.db2.gz YEERQIJXCDQGTR-DTWKUNHWSA-N 1 1 177.251 1.394 10 0 ADAEMO C1=CC[N@H+](Cc2c[nH]cn2)CC1 306364577 345234495 /nfs/dbraw/zinc/23/44/95/345234495.db2.gz GIRGVNHIDHWWLG-UHFFFAOYSA-N 1 1 163.224 1.172 10 0 ADAEMO C1=CC[N@@H+](Cc2c[nH]cn2)CC1 306364577 345234497 /nfs/dbraw/zinc/23/44/97/345234497.db2.gz GIRGVNHIDHWWLG-UHFFFAOYSA-N 1 1 163.224 1.172 10 0 ADAEMO C1=CC[N@H+](Cc2cnc[nH]2)CC1 306364577 345234500 /nfs/dbraw/zinc/23/45/00/345234500.db2.gz GIRGVNHIDHWWLG-UHFFFAOYSA-N 1 1 163.224 1.172 10 0 ADAEMO C1=CC[N@@H+](Cc2cnc[nH]2)CC1 306364577 345234502 /nfs/dbraw/zinc/23/45/02/345234502.db2.gz GIRGVNHIDHWWLG-UHFFFAOYSA-N 1 1 163.224 1.172 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@H](O)c2ccccc2)C1 306364679 345235143 /nfs/dbraw/zinc/23/51/43/345235143.db2.gz FBCJNPINZCAGDY-VXGBXAGGSA-N 1 1 191.274 1.672 10 0 ADAEMO C[N@H+]1CC[C@H]([C@H](O)c2ccccc2)C1 306364670 345235224 /nfs/dbraw/zinc/23/52/24/345235224.db2.gz FBCJNPINZCAGDY-NWDGAFQWSA-N 1 1 191.274 1.672 10 0 ADAEMO Nc1ccc(Cn2cccc2)c[nH+]1 306366623 345236289 /nfs/dbraw/zinc/23/62/89/345236289.db2.gz CNQRMVXGFUTPRS-UHFFFAOYSA-N 1 1 173.219 1.514 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1CCCF 306367545 345236501 /nfs/dbraw/zinc/23/65/01/345236501.db2.gz ICCZYJWLCTWFBN-SFYZADRCSA-N 1 1 145.221 1.686 10 0 ADAEMO C[C@H]1C[N@@H+](CCCF)[C@@H]1C 306367544 345236656 /nfs/dbraw/zinc/23/66/56/345236656.db2.gz ICCZYJWLCTWFBN-JGVFFNPUSA-N 1 1 145.221 1.686 10 0 ADAEMO C[C@H]1C[N@@H+](CCCF)[C@H]1C 306367547 345236747 /nfs/dbraw/zinc/23/67/47/345236747.db2.gz ICCZYJWLCTWFBN-YUMQZZPRSA-N 1 1 145.221 1.686 10 0 ADAEMO C[C@H]([NH3+])c1cnc([C@@H]2C[C@@H]2C)[nH]1 306367825 345236981 /nfs/dbraw/zinc/23/69/81/345236981.db2.gz JYSORDNCGMMMOL-LYFYHCNISA-N 1 1 165.240 1.553 10 0 ADAEMO C[N@@H+]1[C@H](CN)CC[C@H]2CCC[C@H]21 306368159 345237098 /nfs/dbraw/zinc/23/70/98/345237098.db2.gz JEBDKJNRUATHIQ-KXUCPTDWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]([NH3+])c1cnc([C@@H]2C[C@H]2C)[nH]1 306367824 345237076 /nfs/dbraw/zinc/23/70/76/345237076.db2.gz JYSORDNCGMMMOL-DSYKOEDSSA-N 1 1 165.240 1.553 10 0 ADAEMO C[N@H+]1[C@H](CN)CC[C@H]2CCC[C@H]21 306368159 345237095 /nfs/dbraw/zinc/23/70/95/345237095.db2.gz JEBDKJNRUATHIQ-KXUCPTDWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@H+]1[C@H](CN)CC[C@H]2CCC[C@@H]21 306368169 345237121 /nfs/dbraw/zinc/23/71/21/345237121.db2.gz JEBDKJNRUATHIQ-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@@H+]1[C@H](CN)CC[C@H]2CCC[C@@H]21 306368169 345237122 /nfs/dbraw/zinc/23/71/22/345237122.db2.gz JEBDKJNRUATHIQ-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]([NH3+])c1cnc([C@H]2C[C@H]2C)[nH]1 306367826 345237158 /nfs/dbraw/zinc/23/71/58/345237158.db2.gz JYSORDNCGMMMOL-VQVTYTSYSA-N 1 1 165.240 1.553 10 0 ADAEMO C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 306367805 345237235 /nfs/dbraw/zinc/23/72/35/345237235.db2.gz JTBRMYRVUHCXMP-BBBLOLIVSA-N 1 1 168.284 1.079 10 0 ADAEMO C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 306367804 345237267 /nfs/dbraw/zinc/23/72/67/345237267.db2.gz JTBRMYRVUHCXMP-AEJSXWLSSA-N 1 1 168.284 1.079 10 0 ADAEMO C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]12 306367807 345237293 /nfs/dbraw/zinc/23/72/93/345237293.db2.gz JTBRMYRVUHCXMP-IVZWLZJFSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]([NH3+])c1cnc([C@H]2C[C@@H]2C)[nH]1 306367823 345237300 /nfs/dbraw/zinc/23/73/00/345237300.db2.gz JYSORDNCGMMMOL-ACZMJKKPSA-N 1 1 165.240 1.553 10 0 ADAEMO C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]12 306367808 345237329 /nfs/dbraw/zinc/23/73/29/345237329.db2.gz JTBRMYRVUHCXMP-OPRDCNLKSA-N 1 1 168.284 1.079 10 0 ADAEMO C[N@H+]1[C@H](CN)CC[C@@H]2CCC[C@H]21 306368165 345237414 /nfs/dbraw/zinc/23/74/14/345237414.db2.gz JEBDKJNRUATHIQ-LPEHRKFASA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@@H+]1[C@H](CN)CC[C@@H]2CCC[C@H]21 306368165 345237416 /nfs/dbraw/zinc/23/74/16/345237416.db2.gz JEBDKJNRUATHIQ-LPEHRKFASA-N 1 1 168.284 1.208 10 0 ADAEMO CC[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCC1 306369703 345238356 /nfs/dbraw/zinc/23/83/56/345238356.db2.gz BWDKNITVXQHGDF-JQWIXIFHSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCC1 306369704 345238372 /nfs/dbraw/zinc/23/83/72/345238372.db2.gz BWDKNITVXQHGDF-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1CN(C)CC[C@H]1[NH2+]C1CCC1 306369705 345238385 /nfs/dbraw/zinc/23/83/85/345238385.db2.gz BWDKNITVXQHGDF-ZYHUDNBSSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H]1CN(C)CC[C@H]1[NH2+]C1CCC1 306369702 345238507 /nfs/dbraw/zinc/23/85/07/345238507.db2.gz BWDKNITVXQHGDF-CMPLNLGQSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1CCC[N@@H+](CCC2(O)CC2)C1 306370118 345238991 /nfs/dbraw/zinc/23/89/91/345238991.db2.gz NEEFXGMDCSLSHD-JTQLQIEISA-N 1 1 183.295 1.633 10 0 ADAEMO C[C@@H]1CC[C@H]2[NH2+][C@H](C)CC[C@@H]2N1 306370137 345239051 /nfs/dbraw/zinc/23/90/51/345239051.db2.gz LQPIKJMBUZADGZ-KYXWUPHJSA-N 1 1 168.284 1.267 10 0 ADAEMO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)CC[C@H]2N1 306370137 345239053 /nfs/dbraw/zinc/23/90/53/345239053.db2.gz LQPIKJMBUZADGZ-KYXWUPHJSA-N 1 1 168.284 1.267 10 0 ADAEMO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)CC[C@@H]2N1 306370134 345239093 /nfs/dbraw/zinc/23/90/93/345239093.db2.gz LQPIKJMBUZADGZ-IMSYWVGJSA-N 1 1 168.284 1.267 10 0 ADAEMO C[C@H]1CC[C@H]2[NH2+][C@H](C)CC[C@@H]2N1 306370140 345239282 /nfs/dbraw/zinc/23/92/82/345239282.db2.gz LQPIKJMBUZADGZ-YNFQOJQRSA-N 1 1 168.284 1.267 10 0 ADAEMO C[C@H]1CC[C@H]2N[C@H](C)CC[C@@H]2[NH2+]1 306370140 345239285 /nfs/dbraw/zinc/23/92/85/345239285.db2.gz LQPIKJMBUZADGZ-YNFQOJQRSA-N 1 1 168.284 1.267 10 0 ADAEMO C[C@H]1CSCC[N@@H+](CCF)C1 306371261 345239610 /nfs/dbraw/zinc/23/96/10/345239610.db2.gz CPDUXRDEOBACLO-MRVPVSSYSA-N 1 1 177.288 1.641 10 0 ADAEMO C[C@@H]1CSCC[N@@H+](CCF)C1 306371263 345239618 /nfs/dbraw/zinc/23/96/18/345239618.db2.gz CPDUXRDEOBACLO-QMMMGPOBSA-N 1 1 177.288 1.641 10 0 ADAEMO O[C@@H]1C[N@@H+](CC2CC2)CCC1(F)F 306371545 345239662 /nfs/dbraw/zinc/23/96/62/345239662.db2.gz OMLJNOLWUHQTTN-MRVPVSSYSA-N 1 1 191.221 1.098 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2ccnn2C)[C@@H]1C 306371172 345239730 /nfs/dbraw/zinc/23/97/30/345239730.db2.gz CJWAXKHMWLCKBJ-DTWKUNHWSA-N 1 1 179.267 1.260 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2ccnn2C)[C@H]1C 306371175 345239756 /nfs/dbraw/zinc/23/97/56/345239756.db2.gz CJWAXKHMWLCKBJ-IUCAKERBSA-N 1 1 179.267 1.260 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccnn1C 306371170 345239807 /nfs/dbraw/zinc/23/98/07/345239807.db2.gz CJWAXKHMWLCKBJ-BDAKNGLRSA-N 1 1 179.267 1.260 10 0 ADAEMO O[C@H]1C[N@@H+](CC2CC2)CCC1(F)F 306371547 345239849 /nfs/dbraw/zinc/23/98/49/345239849.db2.gz OMLJNOLWUHQTTN-QMMMGPOBSA-N 1 1 191.221 1.098 10 0 ADAEMO CC[C@@H]1CC[N@@H+]1Cc1cc[nH]n1 306371768 345240232 /nfs/dbraw/zinc/24/02/32/345240232.db2.gz HSCXYUHHJFDRLT-SECBINFHSA-N 1 1 165.240 1.394 10 0 ADAEMO CC[C@@H]1CC[N@H+]1Cc1cc[nH]n1 306371768 345240235 /nfs/dbraw/zinc/24/02/35/345240235.db2.gz HSCXYUHHJFDRLT-SECBINFHSA-N 1 1 165.240 1.394 10 0 ADAEMO CC[C@H]1CC[N@@H+]1Cc1cc[nH]n1 306371770 345240471 /nfs/dbraw/zinc/24/04/71/345240471.db2.gz HSCXYUHHJFDRLT-VIFPVBQESA-N 1 1 165.240 1.394 10 0 ADAEMO CC[C@H]1CC[N@H+]1Cc1cc[nH]n1 306371770 345240474 /nfs/dbraw/zinc/24/04/74/345240474.db2.gz HSCXYUHHJFDRLT-VIFPVBQESA-N 1 1 165.240 1.394 10 0 ADAEMO CN1CCNc2c[nH+]cc(Cl)c21 306371705 345240545 /nfs/dbraw/zinc/24/05/45/345240545.db2.gz HKLNNTOHUAJSBA-UHFFFAOYSA-N 1 1 183.642 1.597 10 0 ADAEMO CC[C@H]1CC[N@H+]1Cc1cc(C)no1 306373337 345240801 /nfs/dbraw/zinc/24/08/01/345240801.db2.gz IVVIYIYXYLAMQS-VIFPVBQESA-N 1 1 180.251 1.967 10 0 ADAEMO CC[C@@H]1CC[N@H+]1Cc1cc(C)no1 306373336 345240847 /nfs/dbraw/zinc/24/08/47/345240847.db2.gz IVVIYIYXYLAMQS-SECBINFHSA-N 1 1 180.251 1.967 10 0 ADAEMO C[C@H]1CC[C@]1(CN)[N@H+]1CCC[C@H]1C 306375363 345242510 /nfs/dbraw/zinc/24/25/10/345242510.db2.gz SEEHAPZDNNVRLD-HBNTYKKESA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1[C@@]1(CN)CC[C@H]1C 306375361 345242774 /nfs/dbraw/zinc/24/27/74/345242774.db2.gz SEEHAPZDNNVRLD-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CC[C@@]1(CN)[N@H+]1CCC[C@H]1C 306375359 345242783 /nfs/dbraw/zinc/24/27/83/345242783.db2.gz SEEHAPZDNNVRLD-AXFHLTTASA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1[C@]1(CN)CC[C@H]1C 306375365 345242812 /nfs/dbraw/zinc/24/28/12/345242812.db2.gz SEEHAPZDNNVRLD-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CC[C@@H]1[N@H+](C)[C@@H]1CCCNC1 306376187 345242993 /nfs/dbraw/zinc/24/29/93/345242993.db2.gz VOGPQOOPVIXTJZ-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H]1CCCNC1 306376187 345242996 /nfs/dbraw/zinc/24/29/96/345242996.db2.gz VOGPQOOPVIXTJZ-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[C@H]1[N@H+](C)[C@@H]1CCCNC1 306376186 345243085 /nfs/dbraw/zinc/24/30/85/345243085.db2.gz VOGPQOOPVIXTJZ-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[C@H]1[N@@H+](C)[C@@H]1CCCNC1 306376186 345243087 /nfs/dbraw/zinc/24/30/87/345243087.db2.gz VOGPQOOPVIXTJZ-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO CC1(C)[C@H](N)CC[N@@H+]1CC1CC1 306375995 345243095 /nfs/dbraw/zinc/24/30/95/345243095.db2.gz MWWYYNQSOVAISQ-SECBINFHSA-N 1 1 168.284 1.208 10 0 ADAEMO CC1(C)[C@H](N)CC[N@H+]1CC1CC1 306375995 345243097 /nfs/dbraw/zinc/24/30/97/345243097.db2.gz MWWYYNQSOVAISQ-SECBINFHSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[C@@H]1[N@H+](C)[C@H]1CCCNC1 306376189 345243125 /nfs/dbraw/zinc/24/31/25/345243125.db2.gz VOGPQOOPVIXTJZ-VWYCJHECSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[C@@H]1[N@@H+](C)[C@H]1CCCNC1 306376189 345243126 /nfs/dbraw/zinc/24/31/26/345243126.db2.gz VOGPQOOPVIXTJZ-VWYCJHECSA-N 1 1 182.311 1.469 10 0 ADAEMO CC1(C)[C@@H](N)CC[N@@H+]1CC1CC1 306375996 345243157 /nfs/dbraw/zinc/24/31/57/345243157.db2.gz MWWYYNQSOVAISQ-VIFPVBQESA-N 1 1 168.284 1.208 10 0 ADAEMO CC1(C)[C@@H](N)CC[N@H+]1CC1CC1 306375996 345243161 /nfs/dbraw/zinc/24/31/61/345243161.db2.gz MWWYYNQSOVAISQ-VIFPVBQESA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[C@H]1[N@H+](C)[C@H]1CCCNC1 306376188 345243218 /nfs/dbraw/zinc/24/32/18/345243218.db2.gz VOGPQOOPVIXTJZ-OUAUKWLOSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[C@H]1[N@@H+](C)[C@H]1CCCNC1 306376188 345243220 /nfs/dbraw/zinc/24/32/20/345243220.db2.gz VOGPQOOPVIXTJZ-OUAUKWLOSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]([C@H]1C[C@H]1C)[N@@H+]1CC[C@H]([NH3+])C1 306379342 345245271 /nfs/dbraw/zinc/24/52/71/345245271.db2.gz UJBAQRLXKVVMMC-KATARQTJSA-N 1 1 168.284 1.064 10 0 ADAEMO C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](C)C1CC1 306379351 345245314 /nfs/dbraw/zinc/24/53/14/345245314.db2.gz ULJKTRTYRBHVKI-SCZZXKLOSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1C[NH2+]CC[C@H]1[N@@H+](C)C1CC1 306379350 345245359 /nfs/dbraw/zinc/24/53/59/345245359.db2.gz ULJKTRTYRBHVKI-PSASIEDQSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 306379343 345245434 /nfs/dbraw/zinc/24/54/34/345245434.db2.gz 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JPJUECMIRHFVDZ-ZJUUUORDSA-N 1 1 185.311 1.878 10 0 ADAEMO C[NH2+][C@H](C)C[N@H+]1CC[C@H](C)[C@@H]1C 306538328 345412149 /nfs/dbraw/zinc/41/21/49/345412149.db2.gz JRXXTEIASOUSQC-AEJSXWLSSA-N 1 1 170.300 1.325 10 0 ADAEMO C[NH2+][C@H](C)CN1CC[C@H](C)[C@@H]1C 306538328 345412153 /nfs/dbraw/zinc/41/21/53/345412153.db2.gz JRXXTEIASOUSQC-AEJSXWLSSA-N 1 1 170.300 1.325 10 0 ADAEMO C[C@@H]1CCC[N@H+](C(C)(C)CO)[C@@H]1C 306538301 345412203 /nfs/dbraw/zinc/41/22/03/345412203.db2.gz JPJUECMIRHFVDZ-NXEZZACHSA-N 1 1 185.311 1.878 10 0 ADAEMO C[NH2+][C@H](C)C[N@H+]1CC[C@H](C)[C@H]1C 306538330 345412345 /nfs/dbraw/zinc/41/23/45/345412345.db2.gz JRXXTEIASOUSQC-IVZWLZJFSA-N 1 1 170.300 1.325 10 0 ADAEMO C[NH2+][C@H](C)CN1CC[C@H](C)[C@H]1C 306538330 345412347 /nfs/dbraw/zinc/41/23/47/345412347.db2.gz JRXXTEIASOUSQC-IVZWLZJFSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[C@H]1CCC[N@H+](C2COC2)C1 306539133 345412569 /nfs/dbraw/zinc/41/25/69/345412569.db2.gz ULXGABFTGFYZMO-VIFPVBQESA-N 1 1 169.268 1.507 10 0 ADAEMO CC[C@@H]1CCC[N@H+](C2COC2)C1 306539132 345412761 /nfs/dbraw/zinc/41/27/61/345412761.db2.gz ULXGABFTGFYZMO-SECBINFHSA-N 1 1 169.268 1.507 10 0 ADAEMO CC(C)C[N@H+]1CCO[C@@H](C(F)F)C1 306539352 345413197 /nfs/dbraw/zinc/41/31/97/345413197.db2.gz NBOBMGNXUICTSM-MRVPVSSYSA-N 1 1 193.237 1.608 10 0 ADAEMO CC[N@@H+]1C[C@@H](C)[C@@H](N2CCCC2)C1 306539255 345413246 /nfs/dbraw/zinc/41/32/46/345413246.db2.gz QDSSYSNQCDMVGS-MNOVXSKESA-N 1 1 182.311 1.422 10 0 ADAEMO CC[N@H+]1C[C@@H](C)[C@@H](N2CCCC2)C1 306539255 345413248 /nfs/dbraw/zinc/41/32/48/345413248.db2.gz QDSSYSNQCDMVGS-MNOVXSKESA-N 1 1 182.311 1.422 10 0 ADAEMO CC[N@@H+]1C[C@H](C)[C@@H](N2CCCC2)C1 306539257 345413267 /nfs/dbraw/zinc/41/32/67/345413267.db2.gz QDSSYSNQCDMVGS-QWRGUYRKSA-N 1 1 182.311 1.422 10 0 ADAEMO CC[N@H+]1C[C@H](C)[C@@H](N2CCCC2)C1 306539257 345413268 /nfs/dbraw/zinc/41/32/68/345413268.db2.gz QDSSYSNQCDMVGS-QWRGUYRKSA-N 1 1 182.311 1.422 10 0 ADAEMO CC[N@H+]1C[C@@H](N2CCCC2)[C@H](C)C1 306539254 345413300 /nfs/dbraw/zinc/41/33/00/345413300.db2.gz QDSSYSNQCDMVGS-GHMZBOCLSA-N 1 1 182.311 1.422 10 0 ADAEMO CC[N@@H+]1C[C@@H](N2CCCC2)[C@H](C)C1 306539254 345413303 /nfs/dbraw/zinc/41/33/03/345413303.db2.gz QDSSYSNQCDMVGS-GHMZBOCLSA-N 1 1 182.311 1.422 10 0 ADAEMO CC(C)C[N@H+]1CCO[C@H](C(F)F)C1 306539353 345413333 /nfs/dbraw/zinc/41/33/33/345413333.db2.gz NBOBMGNXUICTSM-QMMMGPOBSA-N 1 1 193.237 1.608 10 0 ADAEMO CC[N@@H+]1C[C@H](C)[C@H](N2CCCC2)C1 306539259 345413396 /nfs/dbraw/zinc/41/33/96/345413396.db2.gz QDSSYSNQCDMVGS-WDEREUQCSA-N 1 1 182.311 1.422 10 0 ADAEMO CC[N@H+]1C[C@H](C)[C@H](N2CCCC2)C1 306539259 345413398 /nfs/dbraw/zinc/41/33/98/345413398.db2.gz QDSSYSNQCDMVGS-WDEREUQCSA-N 1 1 182.311 1.422 10 0 ADAEMO Cc1ccc(N[C@@H]2CCC[C@H]2O)[nH+]c1 306540311 345414163 /nfs/dbraw/zinc/41/41/63/345414163.db2.gz OTIHGNIRJZSPEK-NXEZZACHSA-N 1 1 192.262 1.715 10 0 ADAEMO Cc1ccc(N[C@H]2CCC[C@H]2O)[nH+]c1 306540313 345414182 /nfs/dbraw/zinc/41/41/82/345414182.db2.gz OTIHGNIRJZSPEK-VHSXEESVSA-N 1 1 192.262 1.715 10 0 ADAEMO Cc1ccc(N[C@@H]2CCC[C@@H]2O)[nH+]c1 306540314 345414473 /nfs/dbraw/zinc/41/44/73/345414473.db2.gz OTIHGNIRJZSPEK-ZJUUUORDSA-N 1 1 192.262 1.715 10 0 ADAEMO Cc1ccc(N[C@H]2CCC[C@@H]2O)[nH+]c1 306540312 345414482 /nfs/dbraw/zinc/41/44/82/345414482.db2.gz OTIHGNIRJZSPEK-UWVGGRQHSA-N 1 1 192.262 1.715 10 0 ADAEMO C[C@@H]1CC[C@H]1[N@H+]1CCNC(C)(C)C1 306540633 345414786 /nfs/dbraw/zinc/41/47/86/345414786.db2.gz WKCZWDBCQLJUDL-NXEZZACHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CC[C@H]1[N@H+]1CCNC(C)(C)C1 306540635 345414859 /nfs/dbraw/zinc/41/48/59/345414859.db2.gz WKCZWDBCQLJUDL-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CC[C@H]1N1CC[NH2+]C(C)(C)C1 306540635 345414860 /nfs/dbraw/zinc/41/48/60/345414860.db2.gz WKCZWDBCQLJUDL-VHSXEESVSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[C@@H]1[N@H+]1CCNC(C)(C)C1 306540636 345414863 /nfs/dbraw/zinc/41/48/63/345414863.db2.gz WKCZWDBCQLJUDL-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[C@@H]1N1CC[NH2+]C(C)(C)C1 306540636 345414864 /nfs/dbraw/zinc/41/48/64/345414864.db2.gz WKCZWDBCQLJUDL-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]([NH3+])c1nc(CC2CCC2)no1 306540694 345414873 /nfs/dbraw/zinc/41/48/73/345414873.db2.gz WPRAJLHVAAXARD-LURJTMIESA-N 1 1 181.239 1.432 10 0 ADAEMO C[C@H]1CC[C@@H]1[N@H+]1CCNC(C)(C)C1 306540634 345414876 /nfs/dbraw/zinc/41/48/76/345414876.db2.gz WKCZWDBCQLJUDL-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CC[C@@H]1N1CC[NH2+]C(C)(C)C1 306540634 345414878 /nfs/dbraw/zinc/41/48/78/345414878.db2.gz WKCZWDBCQLJUDL-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[N@H+]1CCCC12CCOCC2 306541365 345415667 /nfs/dbraw/zinc/41/56/67/345415667.db2.gz XNWOQZAYFMXYSP-UHFFFAOYSA-N 1 1 169.268 1.651 10 0 ADAEMO CC1(C)CC[N@@H+]1Cc1ccon1 306542174 345415940 /nfs/dbraw/zinc/41/59/40/345415940.db2.gz YTEHVHMQQYKDQR-UHFFFAOYSA-N 1 1 166.224 1.659 10 0 ADAEMO CC1(C)CC[N@H+]1Cc1ccon1 306542174 345415943 /nfs/dbraw/zinc/41/59/43/345415943.db2.gz YTEHVHMQQYKDQR-UHFFFAOYSA-N 1 1 166.224 1.659 10 0 ADAEMO Cc1c[nH+]cn1Cc1ccc(N)nc1 306542055 345416205 /nfs/dbraw/zinc/41/62/05/345416205.db2.gz QJJZDNRPTDZATF-UHFFFAOYSA-N 1 1 188.234 1.217 10 0 ADAEMO CCC1(C[N@H+]2CC[C@H](C)C2)COC1 306542367 345416508 /nfs/dbraw/zinc/41/65/08/345416508.db2.gz QSRUSQDCCIEXBF-JTQLQIEISA-N 1 1 183.295 1.755 10 0 ADAEMO CCC1(C[N@H+]2CC[C@@H](C)C2)COC1 306542368 345416531 /nfs/dbraw/zinc/41/65/31/345416531.db2.gz QSRUSQDCCIEXBF-SNVBAGLBSA-N 1 1 183.295 1.755 10 0 ADAEMO C[C@H](O)C[N@H+]1CCCC12CCC2 306542472 345416553 /nfs/dbraw/zinc/41/65/53/345416553.db2.gz YZZZEGALZOQRSN-VIFPVBQESA-N 1 1 169.268 1.386 10 0 ADAEMO Cc1cc(O[C@H]2CC[NH2+]C2)cc(C)n1 306542765 345416671 /nfs/dbraw/zinc/41/66/71/345416671.db2.gz RHCZAIXGVFJUNX-JTQLQIEISA-N 1 1 192.262 1.439 10 0 ADAEMO Cc1cc(O[C@@H]2CC[NH2+]C2)cc(C)n1 306542767 345416786 /nfs/dbraw/zinc/41/67/86/345416786.db2.gz RHCZAIXGVFJUNX-SNVBAGLBSA-N 1 1 192.262 1.439 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@@]1(C)CO 306543098 345417049 /nfs/dbraw/zinc/41/70/49/345417049.db2.gz ZWAXSGSKKVYJDE-FSIBCCDJSA-N 1 1 169.268 1.409 10 0 ADAEMO C/C=C/C[N@H+]1CCC[C@]1(C)CO 306543099 345417083 /nfs/dbraw/zinc/41/70/83/345417083.db2.gz ZWAXSGSKKVYJDE-HMDXOVGESA-N 1 1 169.268 1.409 10 0 ADAEMO Cc1nc(C[NH2+][C@@H]2[C@H]3CCC[C@H]32)c[nH]1 306544334 345418265 /nfs/dbraw/zinc/41/82/65/345418265.db2.gz UTCIZRXCRKUSSJ-URLYPYJESA-N 1 1 191.278 1.606 10 0 ADAEMO C[C@@H]([NH3+])CN1CCCCCCCC1 306544872 345419431 /nfs/dbraw/zinc/41/94/31/345419431.db2.gz ZLPLSHLOTQYWLI-LLVKDONJSA-N 1 1 184.327 1.990 10 0 ADAEMO c1cc(C[NH2+][C@@H]2[C@H]3CCCC[C@H]32)[nH]n1 306545350 345419798 /nfs/dbraw/zinc/41/97/98/345419798.db2.gz ATPBGOSDTQTALR-URLYPYJESA-N 1 1 191.278 1.688 10 0 ADAEMO CC(C)[C@@]1(C)C[C@H]1[N@@H+]1CCNC[C@H]1C 306546053 345420257 /nfs/dbraw/zinc/42/02/57/345420257.db2.gz AANKPZATPBQQMT-IJLUTSLNSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@@]1(C)C[C@H]1[N@H+]1CCNC[C@H]1C 306546053 345420259 /nfs/dbraw/zinc/42/02/59/345420259.db2.gz AANKPZATPBQQMT-IJLUTSLNSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@@H+]1CCC1CCCC1 306546172 345420270 /nfs/dbraw/zinc/42/02/70/345420270.db2.gz BISDDSHZWVVOMZ-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@H+]1CCC1CCCC1 306546172 345420272 /nfs/dbraw/zinc/42/02/72/345420272.db2.gz BISDDSHZWVVOMZ-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@@H+]1CCC1CCCC1 306546165 345420324 /nfs/dbraw/zinc/42/03/24/345420324.db2.gz BISDDSHZWVVOMZ-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@H+]1CCC1CCCC1 306546165 345420325 /nfs/dbraw/zinc/42/03/25/345420325.db2.gz BISDDSHZWVVOMZ-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1C(=O)CC[N@@H+](CCCF)[C@@H]1C 306546105 345420360 /nfs/dbraw/zinc/42/03/60/345420360.db2.gz ADHLJIXHOCRTCK-DTWKUNHWSA-N 1 1 187.258 1.645 10 0 ADAEMO CC(C)[C@@]1(C)C[C@@H]1[N@@H+]1CCNC[C@H]1C 306546050 345420385 /nfs/dbraw/zinc/42/03/85/345420385.db2.gz AANKPZATPBQQMT-GRYCIOLGSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@@]1(C)C[C@@H]1[N@H+]1CCNC[C@H]1C 306546050 345420387 /nfs/dbraw/zinc/42/03/87/345420387.db2.gz AANKPZATPBQQMT-GRYCIOLGSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@]1(C)C[C@H]1[N@@H+]1CCNC[C@H]1C 306546055 345420405 /nfs/dbraw/zinc/42/04/05/345420405.db2.gz AANKPZATPBQQMT-UTUOFQBUSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@]1(C)C[C@H]1[N@H+]1CCNC[C@H]1C 306546055 345420408 /nfs/dbraw/zinc/42/04/08/345420408.db2.gz AANKPZATPBQQMT-UTUOFQBUSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@@H]1[C@@H](N)CC[N@@H+]1CCC1CCCC1 306546177 345420431 /nfs/dbraw/zinc/42/04/31/345420431.db2.gz BISDDSHZWVVOMZ-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1[C@@H](N)CC[N@H+]1CCC1CCCC1 306546177 345420435 /nfs/dbraw/zinc/42/04/35/345420435.db2.gz BISDDSHZWVVOMZ-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)[C@]1(C)C[C@@H]1[N@@H+]1CCNC[C@H]1C 306546056 345420491 /nfs/dbraw/zinc/42/04/91/345420491.db2.gz AANKPZATPBQQMT-WOPDTQHZSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@]1(C)C[C@@H]1[N@H+]1CCNC[C@H]1C 306546056 345420492 /nfs/dbraw/zinc/42/04/92/345420492.db2.gz AANKPZATPBQQMT-WOPDTQHZSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@H]1[C@@H](C)C(=O)CC[N@H+]1CCCF 306546104 345420531 /nfs/dbraw/zinc/42/05/31/345420531.db2.gz ADHLJIXHOCRTCK-BDAKNGLRSA-N 1 1 187.258 1.645 10 0 ADAEMO C[C@@H]1[C@H](N)CC[N@@H+]1CCC1CCCC1 306546179 345420618 /nfs/dbraw/zinc/42/06/18/345420618.db2.gz BISDDSHZWVVOMZ-ZYHUDNBSSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1[C@H](N)CC[N@H+]1CCC1CCCC1 306546179 345420621 /nfs/dbraw/zinc/42/06/21/345420621.db2.gz BISDDSHZWVVOMZ-ZYHUDNBSSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1C(=O)CC[N@@H+](CCCF)[C@H]1C 306546107 345420665 /nfs/dbraw/zinc/42/06/65/345420665.db2.gz ADHLJIXHOCRTCK-IUCAKERBSA-N 1 1 187.258 1.645 10 0 ADAEMO C[C@H]1C(=O)CC[N@@H+](CCCF)[C@@H]1C 306546108 345420679 /nfs/dbraw/zinc/42/06/79/345420679.db2.gz ADHLJIXHOCRTCK-RKDXNWHRSA-N 1 1 187.258 1.645 10 0 ADAEMO CN1CC[C@H]([N@H+]2CCC(C)(C)C2)C1 306547016 345421417 /nfs/dbraw/zinc/42/14/17/345421417.db2.gz FGLWLYFDAAJPKM-JTQLQIEISA-N 1 1 182.311 1.422 10 0 ADAEMO CN1CC[C@@H]([N@H+]2CCC(C)(C)C2)C1 306547017 345421431 /nfs/dbraw/zinc/42/14/31/345421431.db2.gz FGLWLYFDAAJPKM-SNVBAGLBSA-N 1 1 182.311 1.422 10 0 ADAEMO C[C@H]([NH3+])c1nc2c(s1)C(=O)CCC2 306546725 345421537 /nfs/dbraw/zinc/42/15/37/345421537.db2.gz BXWBVNUBOPLDHW-YFKPBYRVSA-N 1 1 196.275 1.682 10 0 ADAEMO C[C@@H]([NH3+])c1nc2c(s1)C(=O)CCC2 306546724 345421712 /nfs/dbraw/zinc/42/17/12/345421712.db2.gz BXWBVNUBOPLDHW-RXMQYKEDSA-N 1 1 196.275 1.682 10 0 ADAEMO CC[C@@H]1C[N@H+](C2CCC2)CCO1 306548100 345422539 /nfs/dbraw/zinc/42/25/39/345422539.db2.gz NMVDEOYDLOLTIP-SNVBAGLBSA-N 1 1 169.268 1.650 10 0 ADAEMO CC[C@H]1C[N@H+](C2CCC2)CCO1 306548097 345422671 /nfs/dbraw/zinc/42/26/71/345422671.db2.gz NMVDEOYDLOLTIP-JTQLQIEISA-N 1 1 169.268 1.650 10 0 ADAEMO CC[C@@H](C)N1CC2=C(C[NH2+]C2)C1 306548121 345422834 /nfs/dbraw/zinc/42/28/34/345422834.db2.gz NVJOTLWCWVKMBS-MRVPVSSYSA-N 1 1 166.268 1.000 10 0 ADAEMO CC[C@H](C)N1CC2=C(C[NH2+]C2)C1 306548123 345422905 /nfs/dbraw/zinc/42/29/05/345422905.db2.gz NVJOTLWCWVKMBS-QMMMGPOBSA-N 1 1 166.268 1.000 10 0 ADAEMO CC1(C)[C@H]2C[N@@H+](C(C)(C)CN)C[C@H]21 306548700 345423492 /nfs/dbraw/zinc/42/34/92/345423492.db2.gz DBBZZNHUQJXOLS-DTORHVGOSA-N 1 1 182.311 1.312 10 0 ADAEMO CC1(C)[C@H]2C[N@H+](C(C)(C)CN)C[C@H]21 306548700 345423495 /nfs/dbraw/zinc/42/34/95/345423495.db2.gz DBBZZNHUQJXOLS-DTORHVGOSA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@]2(CN)CC[C@H]2C)C1 306549707 345424571 /nfs/dbraw/zinc/42/45/71/345424571.db2.gz GYRIQLPTKIUPLY-GMTAPVOTSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1CC[C@]1(CN)[N@H+]1CC[C@@H](C)C1 306549719 345424603 /nfs/dbraw/zinc/42/46/03/345424603.db2.gz GYRIQLPTKIUPLY-OUAUKWLOSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@]2(CN)CC[C@H]2C)C1 306549714 345424638 /nfs/dbraw/zinc/42/46/38/345424638.db2.gz GYRIQLPTKIUPLY-MXWKQRLJSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1CC[C@@]1(CN)[N@H+]1CC[C@@H](C)C1 306549725 345424761 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C[C@H]1C[NH+](CC2(F)CC2)C[C@H](C)O1 306559277 345435070 /nfs/dbraw/zinc/43/50/70/345435070.db2.gz PWKLMYVBNGWFDH-IUCAKERBSA-N 1 1 187.258 1.598 10 0 ADAEMO C[C@@H]1C[NH+](CC2(F)CC2)C[C@@H](C)O1 306559278 345435085 /nfs/dbraw/zinc/43/50/85/345435085.db2.gz PWKLMYVBNGWFDH-RKDXNWHRSA-N 1 1 187.258 1.598 10 0 ADAEMO C[C@@H]1C[N@@H+](CC2=CCCC2)C[C@@H]1N 306559487 345435179 /nfs/dbraw/zinc/43/51/79/345435179.db2.gz ALHTYPLNWRTFEM-KOLCDFICSA-N 1 1 180.295 1.376 10 0 ADAEMO C[C@H]1C[N@H+](CC2=CCCC2)C[C@@H]1N 306559490 345435288 /nfs/dbraw/zinc/43/52/88/345435288.db2.gz ALHTYPLNWRTFEM-ONGXEEELSA-N 1 1 180.295 1.376 10 0 ADAEMO C[C@H]1C[N@@H+](CC2=CCCC2)C[C@@H]1N 306559490 345435292 /nfs/dbraw/zinc/43/52/92/345435292.db2.gz ALHTYPLNWRTFEM-ONGXEEELSA-N 1 1 180.295 1.376 10 0 ADAEMO C[C@H]1C[N@H+](CC2(F)CC2)C[C@@H](C)O1 306559276 345435384 /nfs/dbraw/zinc/43/53/84/345435384.db2.gz PWKLMYVBNGWFDH-DTORHVGOSA-N 1 1 187.258 1.598 10 0 ADAEMO C[C@H]1C[N@@H+](CC2(F)CC2)C[C@@H](C)O1 306559276 345435387 /nfs/dbraw/zinc/43/53/87/345435387.db2.gz PWKLMYVBNGWFDH-DTORHVGOSA-N 1 1 187.258 1.598 10 0 ADAEMO C[C@@H]([NH3+])c1cnc(-c2ccoc2)[nH]1 306559923 345435587 /nfs/dbraw/zinc/43/55/87/345435587.db2.gz MBXPYVBNWGYOFL-ZCFIWIBFSA-N 1 1 177.207 1.689 10 0 ADAEMO C[C@H]([NH3+])c1cnc(-c2ccoc2)[nH]1 306559922 345435724 /nfs/dbraw/zinc/43/57/24/345435724.db2.gz MBXPYVBNWGYOFL-LURJTMIESA-N 1 1 177.207 1.689 10 0 ADAEMO Cc1ccc(F)c([C@@H](N)CC[NH3+])c1 306560070 345436148 /nfs/dbraw/zinc/43/61/48/345436148.db2.gz AXVQCPJRENRSEH-JTQLQIEISA-N 1 1 182.242 1.483 10 0 ADAEMO Cc1ccc(F)c([C@H](N)CC[NH3+])c1 306560071 345436215 /nfs/dbraw/zinc/43/62/15/345436215.db2.gz AXVQCPJRENRSEH-SNVBAGLBSA-N 1 1 182.242 1.483 10 0 ADAEMO C[C@@H](CO)[NH2+][C@H]1CCCC1(F)F 306560516 345436538 /nfs/dbraw/zinc/43/65/38/345436538.db2.gz BFFXHDKHBQPUMX-BQBZGAKWSA-N 1 1 179.210 1.145 10 0 ADAEMO C[C@@H](CO)[NH2+][C@@H]1CCCC1(F)F 306560517 345436647 /nfs/dbraw/zinc/43/66/47/345436647.db2.gz BFFXHDKHBQPUMX-NKWVEPMBSA-N 1 1 179.210 1.145 10 0 ADAEMO C[C@H](CO)[NH2+][C@H]1CCCC1(F)F 306560519 345436675 /nfs/dbraw/zinc/43/66/75/345436675.db2.gz BFFXHDKHBQPUMX-RQJHMYQMSA-N 1 1 179.210 1.145 10 0 ADAEMO CCC[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 306560866 345436750 /nfs/dbraw/zinc/43/67/50/345436750.db2.gz RQWMRLFEHNTZOG-ILWJIGKKSA-N 1 1 171.284 1.630 10 0 ADAEMO C[C@H](CO)[NH2+][C@@H]1CCCC1(F)F 306560518 345436850 /nfs/dbraw/zinc/43/68/50/345436850.db2.gz BFFXHDKHBQPUMX-RNFRBKRXSA-N 1 1 179.210 1.145 10 0 ADAEMO NCC1([N@@H+]2CCC3(CCC3)C2)CCC1 306561028 345437322 /nfs/dbraw/zinc/43/73/22/345437322.db2.gz SLOLCEIKBAJDDZ-UHFFFAOYSA-N 1 1 194.322 1.744 10 0 ADAEMO NCC1([N@H+]2CCC3(CCC3)C2)CCC1 306561028 345437324 /nfs/dbraw/zinc/43/73/24/345437324.db2.gz SLOLCEIKBAJDDZ-UHFFFAOYSA-N 1 1 194.322 1.744 10 0 ADAEMO O[C@@H]1CC[C@@H]2C[N@H+](C3CCC3)C[C@@H]21 306561696 345437691 /nfs/dbraw/zinc/43/76/91/345437691.db2.gz NNKDQHWVIHVEQR-DVVUODLYSA-N 1 1 181.279 1.242 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2(N)CCCC2)[C@@H]1C 306562103 345437710 /nfs/dbraw/zinc/43/77/10/345437710.db2.gz UFTRWKQVKIBYRE-GHMZBOCLSA-N 1 1 196.338 1.988 10 0 ADAEMO O[C@@H]1CC[C@H]2C[N@H+](C3CCC3)C[C@H]12 306561698 345437765 /nfs/dbraw/zinc/43/77/65/345437765.db2.gz NNKDQHWVIHVEQR-INTQDDNPSA-N 1 1 181.279 1.242 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2(N)CCCC2)[C@H]1C 306562105 345437813 /nfs/dbraw/zinc/43/78/13/345437813.db2.gz UFTRWKQVKIBYRE-QWRGUYRKSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1[C@H](C)CC[N@H+]1CC1(N)CCCC1 306562104 345437854 /nfs/dbraw/zinc/43/78/54/345437854.db2.gz UFTRWKQVKIBYRE-MNOVXSKESA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2(N)CCCC2)[C@@H]1C 306562106 345437993 /nfs/dbraw/zinc/43/79/93/345437993.db2.gz UFTRWKQVKIBYRE-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)[C@H]([NH3+])CCN1CCCF 306562315 345438070 /nfs/dbraw/zinc/43/80/70/345438070.db2.gz CIPSSTUROHMKGT-MRVPVSSYSA-N 1 1 174.263 1.158 10 0 ADAEMO CC1(C)[C@H](N)CC[N@@H+]1CCCF 306562315 345438071 /nfs/dbraw/zinc/43/80/71/345438071.db2.gz CIPSSTUROHMKGT-MRVPVSSYSA-N 1 1 174.263 1.158 10 0 ADAEMO CC1(C)[C@H](N)CC[N@H+]1CCCF 306562315 345438072 /nfs/dbraw/zinc/43/80/72/345438072.db2.gz CIPSSTUROHMKGT-MRVPVSSYSA-N 1 1 174.263 1.158 10 0 ADAEMO CC1(C)[C@@H]([NH3+])CCN1CCCF 306562316 345438115 /nfs/dbraw/zinc/43/81/15/345438115.db2.gz CIPSSTUROHMKGT-QMMMGPOBSA-N 1 1 174.263 1.158 10 0 ADAEMO CC1(C)[C@@H](N)CC[N@@H+]1CCCF 306562316 345438118 /nfs/dbraw/zinc/43/81/18/345438118.db2.gz CIPSSTUROHMKGT-QMMMGPOBSA-N 1 1 174.263 1.158 10 0 ADAEMO CC1(C)[C@@H](N)CC[N@H+]1CCCF 306562316 345438119 /nfs/dbraw/zinc/43/81/19/345438119.db2.gz CIPSSTUROHMKGT-QMMMGPOBSA-N 1 1 174.263 1.158 10 0 ADAEMO NC(=S)C[N@H+]1CC2CCC1CC2 306562653 345438659 /nfs/dbraw/zinc/43/86/59/345438659.db2.gz ULQQEWKFQYXSLQ-UHFFFAOYSA-N 1 1 184.308 1.147 10 0 ADAEMO CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCC2(CCC2)C1 306563376 345438830 /nfs/dbraw/zinc/43/88/30/345438830.db2.gz VRAHKKBXCHHDOH-MNOVXSKESA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H](N)[C@@H](C)[N@@H+]1CCC2(CCC2)C1 306563376 345438833 /nfs/dbraw/zinc/43/88/33/345438833.db2.gz VRAHKKBXCHHDOH-MNOVXSKESA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@H](N)[C@@H](C)[N@H+]1CCC2(CCC2)C1 306563376 345438836 /nfs/dbraw/zinc/43/88/36/345438836.db2.gz VRAHKKBXCHHDOH-MNOVXSKESA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H]([NH3+])[C@@H](C)[N@H+]1CCC2(CCC2)C1 306563375 345439084 /nfs/dbraw/zinc/43/90/84/345439084.db2.gz VRAHKKBXCHHDOH-GHMZBOCLSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H](N)[C@@H](C)[N@@H+]1CCC2(CCC2)C1 306563375 345439086 /nfs/dbraw/zinc/43/90/86/345439086.db2.gz VRAHKKBXCHHDOH-GHMZBOCLSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H](N)[C@@H](C)[N@H+]1CCC2(CCC2)C1 306563375 345439088 /nfs/dbraw/zinc/43/90/88/345439088.db2.gz VRAHKKBXCHHDOH-GHMZBOCLSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]2CO)CC1 306563519 345439455 /nfs/dbraw/zinc/43/94/55/345439455.db2.gz DFQSNCJTQKKHAJ-OUAUKWLOSA-N 1 1 183.295 1.489 10 0 ADAEMO CC[C@@H](N)[C@H](C)[N@@H+]1CCC2(CCC2)C1 306563608 345439496 /nfs/dbraw/zinc/43/94/96/345439496.db2.gz VRAHKKBXCHHDOH-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[C@@H](N)[C@H](C)[N@H+]1CCC2(CCC2)C1 306563608 345439497 /nfs/dbraw/zinc/43/94/97/345439497.db2.gz VRAHKKBXCHHDOH-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@H]2C[C@H]2CO)CC1 306563521 345439523 /nfs/dbraw/zinc/43/95/23/345439523.db2.gz DFQSNCJTQKKHAJ-VWYCJHECSA-N 1 1 183.295 1.489 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@H]2C[C@@H]2CO)CC1 306563516 345439541 /nfs/dbraw/zinc/43/95/41/345439541.db2.gz DFQSNCJTQKKHAJ-MXWKQRLJSA-N 1 1 183.295 1.489 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2CO)CC1 306563515 345439631 /nfs/dbraw/zinc/43/96/31/345439631.db2.gz DFQSNCJTQKKHAJ-GMTAPVOTSA-N 1 1 183.295 1.489 10 0 ADAEMO COc1cc[nH+]cc1[C@@H]1CCC[C@H]1O 306564038 345439920 /nfs/dbraw/zinc/43/99/20/345439920.db2.gz WGKIZGSECSLZTC-WCBMZHEXSA-N 1 1 193.246 1.719 10 0 ADAEMO COc1cc[nH+]cc1[C@H]1CCC[C@@H]1O 306564037 345439951 /nfs/dbraw/zinc/43/99/51/345439951.db2.gz WGKIZGSECSLZTC-SCZZXKLOSA-N 1 1 193.246 1.719 10 0 ADAEMO Cc1ocnc1C[NH2+][C@@H]1CCO[C@@H]1C 306564111 345439971 /nfs/dbraw/zinc/43/99/71/345439971.db2.gz DNRDBHKZALGPEM-VXNVDRBHSA-N 1 1 196.250 1.250 10 0 ADAEMO CC1(C)[C@H](O)CC[N@H+]1CC1=CCCC1 306564165 345440003 /nfs/dbraw/zinc/44/00/03/345440003.db2.gz DQURBVWVXNSDHH-LLVKDONJSA-N 1 1 195.306 1.942 10 0 ADAEMO Cc1ocnc1C[NH2+][C@H]1CCO[C@@H]1C 306564108 345440056 /nfs/dbraw/zinc/44/00/56/345440056.db2.gz DNRDBHKZALGPEM-APPZFPTMSA-N 1 1 196.250 1.250 10 0 ADAEMO Cc1ocnc1C[NH2+][C@H]1CCO[C@H]1C 306564109 345440142 /nfs/dbraw/zinc/44/01/42/345440142.db2.gz DNRDBHKZALGPEM-CBAPKCEASA-N 1 1 196.250 1.250 10 0 ADAEMO COc1cc[nH+]cc1[C@@H]1CCC[C@@H]1O 306564039 345440181 /nfs/dbraw/zinc/44/01/81/345440181.db2.gz WGKIZGSECSLZTC-WPRPVWTQSA-N 1 1 193.246 1.719 10 0 ADAEMO COc1cc[nH+]cc1[C@H]1CCC[C@H]1O 306564036 345440240 /nfs/dbraw/zinc/44/02/40/345440240.db2.gz WGKIZGSECSLZTC-PSASIEDQSA-N 1 1 193.246 1.719 10 0 ADAEMO Cc1ocnc1C[NH2+][C@@H]1CCO[C@H]1C 306564110 345440251 /nfs/dbraw/zinc/44/02/51/345440251.db2.gz DNRDBHKZALGPEM-IONNQARKSA-N 1 1 196.250 1.250 10 0 ADAEMO CC1(C)[C@@H](O)CC[N@H+]1CC1=CCCC1 306564166 345440323 /nfs/dbraw/zinc/44/03/23/345440323.db2.gz DQURBVWVXNSDHH-NSHDSACASA-N 1 1 195.306 1.942 10 0 ADAEMO CCC1(C)C[NH+](CC(C)=O)C1 306564387 345440698 /nfs/dbraw/zinc/44/06/98/345440698.db2.gz WOXAJYOOCRJKKS-UHFFFAOYSA-N 1 1 155.241 1.307 10 0 ADAEMO CC[C@]1(C)C[C@@H]1[NH+]1CCC(=O)CC1 306564537 345440749 /nfs/dbraw/zinc/44/07/49/345440749.db2.gz DUVSBIIFVLPNIL-WDEREUQCSA-N 1 1 181.279 1.840 10 0 ADAEMO CC[C@]1(C)C[C@H]1[NH+]1CCC(=O)CC1 306564534 345440823 /nfs/dbraw/zinc/44/08/23/345440823.db2.gz DUVSBIIFVLPNIL-GHMZBOCLSA-N 1 1 181.279 1.840 10 0 ADAEMO CCC[C@H](C)[N@H+]1CCN[C@@H](C)[C@@H]1C 306565283 345441738 /nfs/dbraw/zinc/44/17/38/345441738.db2.gz RENOPIREKKZRPR-DCAQKATOSA-N 1 1 184.327 1.857 10 0 ADAEMO CCC[C@H](C)[N@H+]1CCN[C@H](C)[C@@H]1C 306565282 345441671 /nfs/dbraw/zinc/44/16/71/345441671.db2.gz RENOPIREKKZRPR-AXFHLTTASA-N 1 1 184.327 1.857 10 0 ADAEMO CCC[C@H](C)N1CC[NH2+][C@H](C)[C@@H]1C 306565282 345441673 /nfs/dbraw/zinc/44/16/73/345441673.db2.gz RENOPIREKKZRPR-AXFHLTTASA-N 1 1 184.327 1.857 10 0 ADAEMO CCC[C@H](C)N1CC[NH2+][C@@H](C)[C@@H]1C 306565283 345441740 /nfs/dbraw/zinc/44/17/40/345441740.db2.gz RENOPIREKKZRPR-DCAQKATOSA-N 1 1 184.327 1.857 10 0 ADAEMO CC(C)c1nc(C2([NH3+])CSC2)no1 306565466 345441809 /nfs/dbraw/zinc/44/18/09/345441809.db2.gz FLNFJOQEKLHLJT-UHFFFAOYSA-N 1 1 199.279 1.094 10 0 ADAEMO CCC[C@H](C)[N@H+]1CCN[C@H](C)[C@H]1C 306565285 345441834 /nfs/dbraw/zinc/44/18/34/345441834.db2.gz RENOPIREKKZRPR-HBNTYKKESA-N 1 1 184.327 1.857 10 0 ADAEMO CCC[C@H](C)N1CC[NH2+][C@H](C)[C@H]1C 306565285 345441836 /nfs/dbraw/zinc/44/18/36/345441836.db2.gz RENOPIREKKZRPR-HBNTYKKESA-N 1 1 184.327 1.857 10 0 ADAEMO Fc1ccc2nc(C3C[NH2+]C3)[nH]c2c1 306565460 345441865 /nfs/dbraw/zinc/44/18/65/345441865.db2.gz FLMDXEMMLXXNGQ-UHFFFAOYSA-N 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345442442 /nfs/dbraw/zinc/44/24/42/345442442.db2.gz FTRCNNIWITZFCB-JTQLQIEISA-N 1 1 180.295 1.390 10 0 ADAEMO C[C@H]1CNCC[N@H+]1CC1=CCCC1 306565758 345442443 /nfs/dbraw/zinc/44/24/43/345442443.db2.gz FTRCNNIWITZFCB-JTQLQIEISA-N 1 1 180.295 1.390 10 0 ADAEMO Cc1ncc([C@@H]2CCC[C@H]2C[NH3+])n1C 306565801 345442449 /nfs/dbraw/zinc/44/24/49/345442449.db2.gz RTGGPPOGOZFAGE-VHSXEESVSA-N 1 1 193.294 1.571 10 0 ADAEMO Cc1ncc([C@H]2CCC[C@H]2C[NH3+])n1C 306565800 345442506 /nfs/dbraw/zinc/44/25/06/345442506.db2.gz RTGGPPOGOZFAGE-UWVGGRQHSA-N 1 1 193.294 1.571 10 0 ADAEMO CN(CC1=CCCC1)C1CC[NH2+]CC1 306566071 345442574 /nfs/dbraw/zinc/44/25/74/345442574.db2.gz FWZBXDGAYMZMCB-UHFFFAOYSA-N 1 1 194.322 1.781 10 0 ADAEMO C[C@@H]1CC[C@@H](C)[N@H+](C(C)(C)CO)C1 306566136 345442857 /nfs/dbraw/zinc/44/28/57/345442857.db2.gz YLYXBKWZFMUKJT-NXEZZACHSA-N 1 1 185.311 1.878 10 0 ADAEMO C[C@H]1CC[C@@H](C)[N@H+](C(C)(C)CO)C1 306566138 345442878 /nfs/dbraw/zinc/44/28/78/345442878.db2.gz YLYXBKWZFMUKJT-VHSXEESVSA-N 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CC(C)[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](N)C1 306658652 345523985 /nfs/dbraw/zinc/52/39/85/345523985.db2.gz JAGGQSSHSPUSCN-WOPDTQHZSA-N 1 1 196.338 1.844 10 0 ADAEMO CC(C)[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](N)C1 306658650 345523994 /nfs/dbraw/zinc/52/39/94/345523994.db2.gz JAGGQSSHSPUSCN-SDDRHHMPSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1CSCC[N@H+]1Cc1ccc[nH]1 306658634 345524050 /nfs/dbraw/zinc/52/40/50/345524050.db2.gz IZQJZHPIJSTWMX-SECBINFHSA-N 1 1 196.319 1.952 10 0 ADAEMO CC(C)[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](N)C1 306658649 345524199 /nfs/dbraw/zinc/52/41/99/345524199.db2.gz JAGGQSSHSPUSCN-GRYCIOLGSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1[C@@H](N)CCC[N@H+]1CC1CCC1 306659570 345524457 /nfs/dbraw/zinc/52/44/57/345524457.db2.gz LTZJZVQEZIOOGB-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1[C@@H]([NH3+])CCCN1CC1CCC1 306659570 345524459 /nfs/dbraw/zinc/52/44/59/345524459.db2.gz LTZJZVQEZIOOGB-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@@H](N)CCC[N@H+]1CC1CCC1 306659725 345524470 /nfs/dbraw/zinc/52/44/70/345524470.db2.gz LTZJZVQEZIOOGB-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@@H]([NH3+])CCCN1CC1CCC1 306659725 345524474 /nfs/dbraw/zinc/52/44/74/345524474.db2.gz LTZJZVQEZIOOGB-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C[N@H+]2CCNCC2(C)C)CC1 306659210 345524544 /nfs/dbraw/zinc/52/45/44/345524544.db2.gz LEPMEVUZPACHSZ-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO CC1(CN2CC[NH2+]CC2(C)C)CC1 306659210 345524547 /nfs/dbraw/zinc/52/45/47/345524547.db2.gz LEPMEVUZPACHSZ-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@@H]1[C@H](N)CCC[N@H+]1CC1CCC1 306659571 345524624 /nfs/dbraw/zinc/52/46/24/345524624.db2.gz LTZJZVQEZIOOGB-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1[C@H]([NH3+])CCCN1CC1CCC1 306659571 345524627 /nfs/dbraw/zinc/52/46/27/345524627.db2.gz LTZJZVQEZIOOGB-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@H](N)CCC[N@H+]1CC1CCC1 306659569 345524766 /nfs/dbraw/zinc/52/47/66/345524766.db2.gz LTZJZVQEZIOOGB-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@H]([NH3+])CCCN1CC1CCC1 306659569 345524771 /nfs/dbraw/zinc/52/47/71/345524771.db2.gz LTZJZVQEZIOOGB-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@@H](C)SCCN1c1[nH]cc[nH+]1 306661158 345525902 /nfs/dbraw/zinc/52/59/02/345525902.db2.gz NRDRQQKLPFNJNE-JGVFFNPUSA-N 1 1 197.307 1.740 10 0 ADAEMO C[C@@H]1SCCN(c2[nH]cc[nH+]2)[C@@H]1C 306661159 345525971 /nfs/dbraw/zinc/52/59/71/345525971.db2.gz NRDRQQKLPFNJNE-SFYZADRCSA-N 1 1 197.307 1.740 10 0 ADAEMO C[C@H]1SCCN(c2[nH]cc[nH+]2)[C@@H]1C 306661157 345526131 /nfs/dbraw/zinc/52/61/31/345526131.db2.gz NRDRQQKLPFNJNE-HTQZYQBOSA-N 1 1 197.307 1.740 10 0 ADAEMO C[NH2+][C@H](C)c1nnc(C(C)(C)F)o1 306663442 345526964 /nfs/dbraw/zinc/52/69/64/345526964.db2.gz VOJHYVTYNYDHSR-RXMQYKEDSA-N 1 1 187.218 1.555 10 0 ADAEMO CN(C)[C@]1(C[NH3+])CCCC12CCC2 306662614 345527053 /nfs/dbraw/zinc/52/70/53/345527053.db2.gz UHTAMFLGAPNHKF-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO CN(C)[C@@]1(C[NH3+])CCCC12CCC2 306662613 345527104 /nfs/dbraw/zinc/52/71/04/345527104.db2.gz UHTAMFLGAPNHKF-LLVKDONJSA-N 1 1 182.311 1.600 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(C(C)(C)F)o1 306663443 345527743 /nfs/dbraw/zinc/52/77/43/345527743.db2.gz VOJHYVTYNYDHSR-YFKPBYRVSA-N 1 1 187.218 1.555 10 0 ADAEMO N[C@@H]1CC[N@@H+]([C@@H]2CC23CCCC3)C1 306665179 345528721 /nfs/dbraw/zinc/52/87/21/345528721.db2.gz SWUBKEVXZISVKK-NXEZZACHSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@@H]1CC[N@H+]([C@@H]2CC23CCCC3)C1 306665179 345528727 /nfs/dbraw/zinc/52/87/27/345528727.db2.gz SWUBKEVXZISVKK-NXEZZACHSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@@H]1CC[N@@H+]([C@H]2CC23CCCC3)C1 306665182 345528770 /nfs/dbraw/zinc/52/87/70/345528770.db2.gz SWUBKEVXZISVKK-ZJUUUORDSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@@H]1CC[N@H+]([C@H]2CC23CCCC3)C1 306665182 345528773 /nfs/dbraw/zinc/52/87/73/345528773.db2.gz SWUBKEVXZISVKK-ZJUUUORDSA-N 1 1 180.295 1.352 10 0 ADAEMO Cc1c[nH]c(N2C[C@H]3C[C@H]3C2)[nH+]1 306665151 345528944 /nfs/dbraw/zinc/52/89/44/345528944.db2.gz SUGLCUIEMABBHG-OCAPTIKFSA-N 1 1 163.224 1.174 10 0 ADAEMO N[C@H]1CC[N@@H+]([C@@H]2CC23CCCC3)C1 306665181 345529042 /nfs/dbraw/zinc/52/90/42/345529042.db2.gz SWUBKEVXZISVKK-VHSXEESVSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@H]1CC[N@H+]([C@@H]2CC23CCCC3)C1 306665181 345529045 /nfs/dbraw/zinc/52/90/45/345529045.db2.gz SWUBKEVXZISVKK-VHSXEESVSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@H]1CC[N@@H+]([C@H]2CC23CCCC3)C1 306665180 345529106 /nfs/dbraw/zinc/52/91/06/345529106.db2.gz SWUBKEVXZISVKK-UWVGGRQHSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@H]1CC[N@H+]([C@H]2CC23CCCC3)C1 306665180 345529109 /nfs/dbraw/zinc/52/91/09/345529109.db2.gz SWUBKEVXZISVKK-UWVGGRQHSA-N 1 1 180.295 1.352 10 0 ADAEMO Cc1c[nH]c(N2CC(C)(C)C2)[nH+]1 306666329 345529655 /nfs/dbraw/zinc/52/96/55/345529655.db2.gz ZHEMFSRKWIMFQM-UHFFFAOYSA-N 1 1 165.240 1.564 10 0 ADAEMO CC[C@@H]1CN(c2[nH]cc[nH+]2)CCO1 306667821 345530148 /nfs/dbraw/zinc/53/01/48/345530148.db2.gz VWGFTBUCTAPGCS-MRVPVSSYSA-N 1 1 181.239 1.025 10 0 ADAEMO CC[C@@H]([NH3+])c1nnc(C(C)(F)F)o1 306667975 345530660 /nfs/dbraw/zinc/53/06/60/345530660.db2.gz FGQMCPWVGPPHMU-SCSAIBSYSA-N 1 1 191.181 1.591 10 0 ADAEMO C[C@H]1C[C@](O)(c2ccsn2)C[N@H+]1C 306668022 345530699 /nfs/dbraw/zinc/53/06/99/345530699.db2.gz FNMRQJVJOIWSRU-IONNQARKSA-N 1 1 198.291 1.055 10 0 ADAEMO C[C@@H]1C[C@](O)(c2ccsn2)C[N@H+]1C 306668023 345530723 /nfs/dbraw/zinc/53/07/23/345530723.db2.gz FNMRQJVJOIWSRU-VXNVDRBHSA-N 1 1 198.291 1.055 10 0 ADAEMO CC[C@H]1CN(c2[nH]cc[nH+]2)CCO1 306667822 345530745 /nfs/dbraw/zinc/53/07/45/345530745.db2.gz VWGFTBUCTAPGCS-QMMMGPOBSA-N 1 1 181.239 1.025 10 0 ADAEMO C[C@@H]1C[C@@](O)(c2ccsn2)C[N@H+]1C 306668020 345530890 /nfs/dbraw/zinc/53/08/90/345530890.db2.gz FNMRQJVJOIWSRU-APPZFPTMSA-N 1 1 198.291 1.055 10 0 ADAEMO C[C@H]1C[C@@](O)(c2ccsn2)C[N@H+]1C 306668021 345530942 /nfs/dbraw/zinc/53/09/42/345530942.db2.gz FNMRQJVJOIWSRU-CBAPKCEASA-N 1 1 198.291 1.055 10 0 ADAEMO CC[C@H]([NH3+])c1nnc(C(C)(F)F)o1 306667974 345531003 /nfs/dbraw/zinc/53/10/03/345531003.db2.gz FGQMCPWVGPPHMU-BYPYZUCNSA-N 1 1 191.181 1.591 10 0 ADAEMO Cc1cc(C)c(-c2nc(C[NH3+])no2)[nH]1 306668608 345531280 /nfs/dbraw/zinc/53/12/80/345531280.db2.gz KPRVKMALOARGQZ-UHFFFAOYSA-N 1 1 192.222 1.140 10 0 ADAEMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C 306669436 345531763 /nfs/dbraw/zinc/53/17/63/345531763.db2.gz WYGRTOLWOXQCEU-VIFPVBQESA-N 1 1 179.267 1.793 10 0 ADAEMO C[C@@H]1C[N@@H+](CC2CC2)C(C)(C)CO1 306670395 345532331 /nfs/dbraw/zinc/53/23/31/345532331.db2.gz LTLKFBOQKXOQBY-SECBINFHSA-N 1 1 183.295 1.896 10 0 ADAEMO C[C@H]1C[N@@H+](CC2CC2)C(C)(C)CO1 306670396 345532380 /nfs/dbraw/zinc/53/23/80/345532380.db2.gz LTLKFBOQKXOQBY-VIFPVBQESA-N 1 1 183.295 1.896 10 0 ADAEMO C[C@H](N)C[N@H+]1C[C@@H](C)CC1(C)C 306670151 345532409 /nfs/dbraw/zinc/53/24/09/345532409.db2.gz XIHRFCWJNZYSEK-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H](N)C[N@H+]1C[C@H](C)CC1(C)C 306670149 345532624 /nfs/dbraw/zinc/53/26/24/345532624.db2.gz XIHRFCWJNZYSEK-BDAKNGLRSA-N 1 1 170.300 1.454 10 0 ADAEMO C[NH2+][C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 306671333 345533095 /nfs/dbraw/zinc/53/30/95/345533095.db2.gz YPFOSFLZUKBBLT-LMLFDSFASA-N 1 1 180.295 1.079 10 0 ADAEMO CC(C)(CN)[NH+]1C[C@H]2CCCC[C@@H]2C1 306672625 345533682 /nfs/dbraw/zinc/53/36/82/345533682.db2.gz MGVOCUFAEITYRT-GHMZBOCLSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)(CN)[N@@H+]1C[C@H]2CCCC[C@H]2C1 306672626 345534320 /nfs/dbraw/zinc/53/43/20/345534320.db2.gz MGVOCUFAEITYRT-PHIMTYICSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)(CN)[N@H+]1C[C@H]2CCCC[C@H]2C1 306672626 345534323 /nfs/dbraw/zinc/53/43/23/345534323.db2.gz MGVOCUFAEITYRT-PHIMTYICSA-N 1 1 196.338 1.846 10 0 ADAEMO CC(C)(CN)[NH+]1C[C@@H]2CCCC[C@H]2C1 306672627 345534378 /nfs/dbraw/zinc/53/43/78/345534378.db2.gz MGVOCUFAEITYRT-QWRGUYRKSA-N 1 1 196.338 1.846 10 0 ADAEMO CC1(C)CC([N@H+]2CCCNCC2)C1 306672872 345534408 /nfs/dbraw/zinc/53/44/08/345534408.db2.gz BLJONVMNAHLDIK-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO CC1(C)CC(N2CCC[NH2+]CC2)C1 306672872 345534412 /nfs/dbraw/zinc/53/44/12/345534412.db2.gz BLJONVMNAHLDIK-UHFFFAOYSA-N 1 1 182.311 1.470 10 0 ADAEMO CC(C)[C@@H](C)N[C@@H]1CC[NH2+]C1(C)C 306673506 345534799 /nfs/dbraw/zinc/53/47/99/345534799.db2.gz NXOKWBHLEVRTKH-NXEZZACHSA-N 1 1 184.327 1.761 10 0 ADAEMO CC(C)[C@H](C)N[C@@H]1CC[NH2+]C1(C)C 306673508 345534998 /nfs/dbraw/zinc/53/49/98/345534998.db2.gz NXOKWBHLEVRTKH-VHSXEESVSA-N 1 1 184.327 1.761 10 0 ADAEMO CC(C)[C@H](C)N[C@H]1CC[NH2+]C1(C)C 306673507 345535103 /nfs/dbraw/zinc/53/51/03/345535103.db2.gz NXOKWBHLEVRTKH-UWVGGRQHSA-N 1 1 184.327 1.761 10 0 ADAEMO CC(C)[C@@H](C)N[C@H]1CC[NH2+]C1(C)C 306673509 345535201 /nfs/dbraw/zinc/53/52/01/345535201.db2.gz NXOKWBHLEVRTKH-ZJUUUORDSA-N 1 1 184.327 1.761 10 0 ADAEMO CC1(C[NH2+][C@@]2(C)CCOC2=O)CCC1 306674870 345536973 /nfs/dbraw/zinc/53/69/73/345536973.db2.gz RLLDDFKDHDVQSG-NSHDSACASA-N 1 1 197.278 1.472 10 0 ADAEMO CC1(C[NH2+][C@]2(C)CCOC2=O)CCC1 306674869 345537214 /nfs/dbraw/zinc/53/72/14/345537214.db2.gz RLLDDFKDHDVQSG-LLVKDONJSA-N 1 1 197.278 1.472 10 0 ADAEMO C[NH2+]CCN1C[C@H]2CCCC[C@H]2C1 306675944 345538296 /nfs/dbraw/zinc/53/82/96/345538296.db2.gz UVLLNRTWGDFPMT-PHIMTYICSA-N 1 1 182.311 1.328 10 0 ADAEMO CC(C)[C@H](C)[N@@H+]1C[C@H]2[C@H](O)CC[C@H]2C1 306676213 345538490 /nfs/dbraw/zinc/53/84/90/345538490.db2.gz VMBLKWPPGXQYNA-NNYUYHANSA-N 1 1 197.322 1.734 10 0 ADAEMO CC1=CCC[N@@H+](CCC2(O)CC2)C1 306676534 345538509 /nfs/dbraw/zinc/53/85/09/345538509.db2.gz WIVDAKOVJFVCMF-UHFFFAOYSA-N 1 1 181.279 1.553 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 306676211 345538659 /nfs/dbraw/zinc/53/86/59/345538659.db2.gz VMBLKWPPGXQYNA-BJDJZHNGSA-N 1 1 197.322 1.734 10 0 ADAEMO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1N 306676428 345538686 /nfs/dbraw/zinc/53/86/86/345538686.db2.gz VZMGZFPORCTPGV-IVZWLZJFSA-N 1 1 170.300 1.500 10 0 ADAEMO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1N 306676429 345538751 /nfs/dbraw/zinc/53/87/51/345538751.db2.gz VZMGZFPORCTPGV-LPEHRKFASA-N 1 1 170.300 1.500 10 0 ADAEMO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1N 306676427 345538801 /nfs/dbraw/zinc/53/88/01/345538801.db2.gz VZMGZFPORCTPGV-GUBZILKMSA-N 1 1 170.300 1.500 10 0 ADAEMO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@H]1N 306676426 345538807 /nfs/dbraw/zinc/53/88/07/345538807.db2.gz VZMGZFPORCTPGV-AEJSXWLSSA-N 1 1 170.300 1.500 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 306676212 345538848 /nfs/dbraw/zinc/53/88/48/345538848.db2.gz VMBLKWPPGXQYNA-FIQHERPVSA-N 1 1 197.322 1.734 10 0 ADAEMO CC(C)[C@H](C)[N@@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 306676214 345538863 /nfs/dbraw/zinc/53/88/63/345538863.db2.gz VMBLKWPPGXQYNA-YFKTTZPYSA-N 1 1 197.322 1.734 10 0 ADAEMO C[C@H]1CC(C)(C)[N@H+]1Cc1cnc[nH]1 306676815 345539141 /nfs/dbraw/zinc/53/91/41/345539141.db2.gz XDZUKMVEDDUYFA-QMMMGPOBSA-N 1 1 179.267 1.783 10 0 ADAEMO C[C@H]1CC(C)(C)[N@@H+]1Cc1c[nH]cn1 306676815 345539143 /nfs/dbraw/zinc/53/91/43/345539143.db2.gz XDZUKMVEDDUYFA-QMMMGPOBSA-N 1 1 179.267 1.783 10 0 ADAEMO C[C@H]1CC(C)(C)[N@H+]1Cc1c[nH]cn1 306676815 345539145 /nfs/dbraw/zinc/53/91/45/345539145.db2.gz XDZUKMVEDDUYFA-QMMMGPOBSA-N 1 1 179.267 1.783 10 0 ADAEMO C[C@@H]1CC(C)(C)[N@H+]1Cc1c[nH]cn1 306676814 345539344 /nfs/dbraw/zinc/53/93/44/345539344.db2.gz XDZUKMVEDDUYFA-MRVPVSSYSA-N 1 1 179.267 1.783 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H]1CO 306677540 345539475 /nfs/dbraw/zinc/53/94/75/345539475.db2.gz ZBVAZMSDNPPATP-VHSXEESVSA-N 1 1 171.284 1.488 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@@H]1CO 306677538 345539625 /nfs/dbraw/zinc/53/96/25/345539625.db2.gz ZBVAZMSDNPPATP-NXEZZACHSA-N 1 1 171.284 1.488 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2cc[nH]c2)CCS1 306677678 345539974 /nfs/dbraw/zinc/53/99/74/345539974.db2.gz ZMAJYBBOOPJFPR-VIFPVBQESA-N 1 1 196.319 1.952 10 0 ADAEMO N[C@@H]1CC[N@H+]([C@@H](C2CCC2)C2CC2)C1 306678518 345540487 /nfs/dbraw/zinc/54/04/87/345540487.db2.gz BHRJRFIQKFKZIU-NEPJUHHUSA-N 1 1 194.322 1.598 10 0 ADAEMO N[C@@H]1CC[N@H+]([C@H](C2CCC2)C2CC2)C1 306678521 345540510 /nfs/dbraw/zinc/54/05/10/345540510.db2.gz BHRJRFIQKFKZIU-VXGBXAGGSA-N 1 1 194.322 1.598 10 0 ADAEMO Cn1nccc1[C@@H]1CCCC[N@H+]1C 306679110 345541035 /nfs/dbraw/zinc/54/10/35/345541035.db2.gz BVZAIJVCZWLJDI-VIFPVBQESA-N 1 1 179.267 1.577 10 0 ADAEMO Cn1nccc1[C@H]1CCCC[N@H+]1C 306679106 345541071 /nfs/dbraw/zinc/54/10/71/345541071.db2.gz BVZAIJVCZWLJDI-SECBINFHSA-N 1 1 179.267 1.577 10 0 ADAEMO NOCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 306679396 345541788 /nfs/dbraw/zinc/54/17/88/345541788.db2.gz IEIQEOVAYJLHHN-QWRGUYRKSA-N 1 1 198.310 1.531 10 0 ADAEMO C[C@H](O)[C@H](C)[N@@H+](C)C(C)(C)C 306680599 345542127 /nfs/dbraw/zinc/54/21/27/345542127.db2.gz LMHXMTBKYQOTHW-YUMQZZPRSA-N 1 1 159.273 1.486 10 0 ADAEMO C[C@@H](O)[C@@H](C)[N@@H+](C)C(C)(C)C 306680596 345542145 /nfs/dbraw/zinc/54/21/45/345542145.db2.gz LMHXMTBKYQOTHW-HTQZYQBOSA-N 1 1 159.273 1.486 10 0 ADAEMO NOCC[N@H+]1CCC[C@H]2CCC[C@@H]21 306680515 345542167 /nfs/dbraw/zinc/54/21/67/345542167.db2.gz LCDBFQNFQLQXSG-ZJUUUORDSA-N 1 1 184.283 1.141 10 0 ADAEMO C[C@H](O)[C@@H](C)[N@@H+](C)C(C)(C)C 306680598 345542183 /nfs/dbraw/zinc/54/21/83/345542183.db2.gz LMHXMTBKYQOTHW-SFYZADRCSA-N 1 1 159.273 1.486 10 0 ADAEMO NOCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 306680513 345542352 /nfs/dbraw/zinc/54/23/52/345542352.db2.gz LCDBFQNFQLQXSG-UWVGGRQHSA-N 1 1 184.283 1.141 10 0 ADAEMO NOCC[N@H+]1CCC[C@@H]2CCC[C@H]21 306680514 345542385 /nfs/dbraw/zinc/54/23/85/345542385.db2.gz LCDBFQNFQLQXSG-VHSXEESVSA-N 1 1 184.283 1.141 10 0 ADAEMO C[C@@H]([C@@H](C)O)[N@@H+](C)C(C)(C)C 306680597 345542517 /nfs/dbraw/zinc/54/25/17/345542517.db2.gz LMHXMTBKYQOTHW-JGVFFNPUSA-N 1 1 159.273 1.486 10 0 ADAEMO NOCC[N@H+]1CCC[C@H]2CCC[C@H]21 306680512 345542528 /nfs/dbraw/zinc/54/25/28/345542528.db2.gz LCDBFQNFQLQXSG-NXEZZACHSA-N 1 1 184.283 1.141 10 0 ADAEMO CCC[N@H+]1CC[C@](O)(C=C(C)C)C1 306681999 345543491 /nfs/dbraw/zinc/54/34/91/345543491.db2.gz PPEVWCLHJJOPHN-NSHDSACASA-N 1 1 183.295 1.799 10 0 ADAEMO CCC[N@H+]1CC[C@@](O)(C=C(C)C)C1 306681998 345543535 /nfs/dbraw/zinc/54/35/35/345543535.db2.gz PPEVWCLHJJOPHN-LLVKDONJSA-N 1 1 183.295 1.799 10 0 ADAEMO CCC[C@@]1(O)CC[N@@H+](C)C[C@@H]1C 306683013 345544452 /nfs/dbraw/zinc/54/44/52/345544452.db2.gz UHDXYYCUTOGJGY-VHSXEESVSA-N 1 1 171.284 1.489 10 0 ADAEMO CCC[C@@]1(O)CC[N@@H+](C)C[C@H]1C 306683011 345544534 /nfs/dbraw/zinc/54/45/34/345544534.db2.gz UHDXYYCUTOGJGY-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO CCC[C@]1(O)CC[N@@H+](C)C[C@@H]1C 306683012 345544649 /nfs/dbraw/zinc/54/46/49/345544649.db2.gz UHDXYYCUTOGJGY-UWVGGRQHSA-N 1 1 171.284 1.489 10 0 ADAEMO CCC[C@]1(O)CC[N@@H+](C)C[C@H]1C 306683014 345544659 /nfs/dbraw/zinc/54/46/59/345544659.db2.gz UHDXYYCUTOGJGY-ZJUUUORDSA-N 1 1 171.284 1.489 10 0 ADAEMO CCC1([N@H+]2CCNC[C@@H](C)C2)CC1 306684479 345545554 /nfs/dbraw/zinc/54/55/54/345545554.db2.gz IFNBTMRCDCXLBB-SNVBAGLBSA-N 1 1 182.311 1.470 10 0 ADAEMO CCC1(N2CC[NH2+]C[C@@H](C)C2)CC1 306684479 345545555 /nfs/dbraw/zinc/54/55/55/345545555.db2.gz IFNBTMRCDCXLBB-SNVBAGLBSA-N 1 1 182.311 1.470 10 0 ADAEMO NOCC[N@H+]1CCC2(CCCC2)C1 306684298 345545679 /nfs/dbraw/zinc/54/56/79/345545679.db2.gz ZLTWYHCSCFSMDN-UHFFFAOYSA-N 1 1 184.283 1.143 10 0 ADAEMO CCC1([N@H+]2CCNC[C@H](C)C2)CC1 306684478 345545785 /nfs/dbraw/zinc/54/57/85/345545785.db2.gz IFNBTMRCDCXLBB-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CCC1(N2CC[NH2+]C[C@H](C)C2)CC1 306684478 345545786 /nfs/dbraw/zinc/54/57/86/345545786.db2.gz IFNBTMRCDCXLBB-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@H]1C[N@@H+](C[Si](C)(C)C)CCC1=O 306685524 345546309 /nfs/dbraw/zinc/54/63/09/345546309.db2.gz FCGCGFNGTDXLCV-VIFPVBQESA-N 1 1 199.370 1.775 10 0 ADAEMO C[C@@H]1CC[C@@]1(CN)[N@@H+]1C[C@H]2C[C@H]2C1 306685478 345546351 /nfs/dbraw/zinc/54/63/51/345546351.db2.gz JBIYDJDVUKTKMT-ZNSHCXBVSA-N 1 1 180.295 1.066 10 0 ADAEMO C[C@@H]1C[N@@H+](C[Si](C)(C)C)CCC1=O 306685523 345546590 /nfs/dbraw/zinc/54/65/90/345546590.db2.gz FCGCGFNGTDXLCV-SECBINFHSA-N 1 1 199.370 1.775 10 0 ADAEMO FC(F)(F)c1noc([C@H]2CC[NH2+]2)n1 306687509 345547606 /nfs/dbraw/zinc/54/76/06/345547606.db2.gz LNGOWMIIYLIQGF-GSVOUGTGSA-N 1 1 193.128 1.123 10 0 ADAEMO FC(F)(F)c1noc([C@@H]2CC[NH2+]2)n1 306687510 345547632 /nfs/dbraw/zinc/54/76/32/345547632.db2.gz LNGOWMIIYLIQGF-VKHMYHEASA-N 1 1 193.128 1.123 10 0 ADAEMO CC1CC(N2[C@@H](C)C[NH2+]C[C@@H]2C)C1 306689641 345548727 /nfs/dbraw/zinc/54/87/27/345548727.db2.gz LGKBOWYJHGFEEI-SEQHWMEXSA-N 1 1 182.311 1.467 10 0 ADAEMO CC1CC([N@H+]2[C@@H](C)CNC[C@H]2C)C1 306689640 345548748 /nfs/dbraw/zinc/54/87/48/345548748.db2.gz LGKBOWYJHGFEEI-GGWWSXTCSA-N 1 1 182.311 1.467 10 0 ADAEMO CC1CC(N2[C@@H](C)C[NH2+]C[C@H]2C)C1 306689640 345548750 /nfs/dbraw/zinc/54/87/50/345548750.db2.gz LGKBOWYJHGFEEI-GGWWSXTCSA-N 1 1 182.311 1.467 10 0 ADAEMO CC1CC(N2[C@H](C)C[NH2+]C[C@H]2C)C1 306689643 345548845 /nfs/dbraw/zinc/54/88/45/345548845.db2.gz LGKBOWYJHGFEEI-WYNUPADASA-N 1 1 182.311 1.467 10 0 ADAEMO CC1=CCC[N@@H+](CC2(C)C[NH2+]C2)C1 306690696 345549426 /nfs/dbraw/zinc/54/94/26/345549426.db2.gz PODAOWGVUHBYIW-UHFFFAOYSA-N 1 1 180.295 1.248 10 0 ADAEMO CC1=CCCN(CC2(C)C[NH2+]C2)C1 306690696 345549430 /nfs/dbraw/zinc/54/94/30/345549430.db2.gz PODAOWGVUHBYIW-UHFFFAOYSA-N 1 1 180.295 1.248 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1CC1(O)CCCC1 306690824 345549510 /nfs/dbraw/zinc/54/95/10/345549510.db2.gz NEHQXBFZISWRIG-AOOOYVTPSA-N 1 1 183.295 1.774 10 0 ADAEMO CC1CC(N[C@@H]2CC[C@H](C)[NH2+]C2)C1 306693732 345550997 /nfs/dbraw/zinc/55/09/97/345550997.db2.gz UBKOGYURCBAKKL-LIZLNQBYSA-N 1 1 182.311 1.515 10 0 ADAEMO CC1CC(N[C@H]2CC[C@@H](C)[NH2+]C2)C1 306693736 345550966 /nfs/dbraw/zinc/55/09/66/345550966.db2.gz UBKOGYURCBAKKL-WIFZPCQCSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1CC[C@H]([NH2+][C@H]2CC2(C)C)CN1 306693795 345550979 /nfs/dbraw/zinc/55/09/79/345550979.db2.gz UDNCDSRINOLNBW-UTLUCORTSA-N 1 1 182.311 1.515 10 0 ADAEMO CC(C)N[C@@H]1CC[C@@H](C)[NH2+]C1 306693391 345551033 /nfs/dbraw/zinc/55/10/33/345551033.db2.gz TUHVWPMOXACLAC-RKDXNWHRSA-N 1 1 156.273 1.125 10 0 ADAEMO CC[C@@H]1CC[N@H+]1C[C@H]1CCOC1 306693755 345551071 /nfs/dbraw/zinc/55/10/71/345551071.db2.gz RRVQBOFQWQBREX-NXEZZACHSA-N 1 1 169.268 1.507 10 0 ADAEMO CC(C)N[C@H]1CC[C@@H](C)[NH2+]C1 306693387 345551125 /nfs/dbraw/zinc/55/11/25/345551125.db2.gz TUHVWPMOXACLAC-BDAKNGLRSA-N 1 1 156.273 1.125 10 0 ADAEMO CC(C)N[C@@H]1CC[C@H](C)[NH2+]C1 306693388 345551167 /nfs/dbraw/zinc/55/11/67/345551167.db2.gz TUHVWPMOXACLAC-DTWKUNHWSA-N 1 1 156.273 1.125 10 0 ADAEMO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC2(C)C)CN1 306693793 345551179 /nfs/dbraw/zinc/55/11/79/345551179.db2.gz UDNCDSRINOLNBW-KXUCPTDWSA-N 1 1 182.311 1.515 10 0 ADAEMO CC1CC(N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 306693737 345551228 /nfs/dbraw/zinc/55/12/28/345551228.db2.gz UBKOGYURCBAKKL-WYNUPADASA-N 1 1 182.311 1.515 10 0 ADAEMO CC(C)N[C@H]1CC[C@H](C)[NH2+]C1 306693390 345551245 /nfs/dbraw/zinc/55/12/45/345551245.db2.gz TUHVWPMOXACLAC-IUCAKERBSA-N 1 1 156.273 1.125 10 0 ADAEMO CC[C@H]1CC[N@H+]1C[C@H]1CCOC1 306693763 345551321 /nfs/dbraw/zinc/55/13/21/345551321.db2.gz RRVQBOFQWQBREX-ZJUUUORDSA-N 1 1 169.268 1.507 10 0 ADAEMO CC[C@H]1CC[N@H+]1C[C@@H]1CCOC1 306693758 345551279 /nfs/dbraw/zinc/55/12/79/345551279.db2.gz RRVQBOFQWQBREX-UWVGGRQHSA-N 1 1 169.268 1.507 10 0 ADAEMO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC2(C)C)CN1 306693792 345551305 /nfs/dbraw/zinc/55/13/05/345551305.db2.gz UDNCDSRINOLNBW-BBBLOLIVSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC2(C)C)CN1 306693794 345551343 /nfs/dbraw/zinc/55/13/43/345551343.db2.gz UDNCDSRINOLNBW-OPRDCNLKSA-N 1 1 182.311 1.515 10 0 ADAEMO CC1CC(N[C@H]2CC[C@H](C)[NH2+]C2)C1 306693734 345551358 /nfs/dbraw/zinc/55/13/58/345551358.db2.gz UBKOGYURCBAKKL-SEQHWMEXSA-N 1 1 182.311 1.515 10 0 ADAEMO CC[C@@H]1CC[N@@H+](CCN)[C@@H]1C 306697315 345553240 /nfs/dbraw/zinc/55/32/40/345553240.db2.gz ZAPIRCWQODLVKG-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO CCc1c[nH]c(N(C)C)[nH+]1 306697057 345553247 /nfs/dbraw/zinc/55/32/47/345553247.db2.gz YPYYOYMYYNDEAH-UHFFFAOYSA-N 1 1 139.202 1.038 10 0 ADAEMO CC[C@H]1CC[N@@H+](CCN)[C@@H]1C 306697312 345553283 /nfs/dbraw/zinc/55/32/83/345553283.db2.gz ZAPIRCWQODLVKG-BDAKNGLRSA-N 1 1 156.273 1.066 10 0 ADAEMO CC[C@@H]1CC[N@@H+](CCN)[C@H]1C 306697313 345553549 /nfs/dbraw/zinc/55/35/49/345553549.db2.gz ZAPIRCWQODLVKG-DTWKUNHWSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@]1(c2noc(C[NH3+])n2)CCCS1 306698398 345553705 /nfs/dbraw/zinc/55/37/05/345553705.db2.gz CIOWSBWBHWEZEG-QMMMGPOBSA-N 1 1 199.279 1.271 10 0 ADAEMO C[C@]1(c2noc(C[NH3+])n2)CCCS1 306698396 345553919 /nfs/dbraw/zinc/55/39/19/345553919.db2.gz CIOWSBWBHWEZEG-MRVPVSSYSA-N 1 1 199.279 1.271 10 0 ADAEMO CC[C@@H](C1CC1)[NH+]1CC(F)C1 306700842 345555391 /nfs/dbraw/zinc/55/53/91/345555391.db2.gz FWFZLNMMVSPFJW-VIFPVBQESA-N 1 1 157.232 1.829 10 0 ADAEMO CC[C@H](C1CC1)[NH+]1CC(F)C1 306700837 345555471 /nfs/dbraw/zinc/55/54/71/345555471.db2.gz FWFZLNMMVSPFJW-SECBINFHSA-N 1 1 157.232 1.829 10 0 ADAEMO C[N@@H+](Cc1cncnc1)C1CC1 306701252 345555874 /nfs/dbraw/zinc/55/58/74/345555874.db2.gz GISRSBWXFHQSMK-UHFFFAOYSA-N 1 1 163.224 1.071 10 0 ADAEMO CC(C)=C[C@H]([NH3+])CN1CCCCC1 306701195 345555884 /nfs/dbraw/zinc/55/58/84/345555884.db2.gz GNNMSTDZTLGSAD-NSHDSACASA-N 1 1 182.311 1.766 10 0 ADAEMO CC(C)=C[C@@H]([NH3+])CN1CCCCC1 306701192 345555894 /nfs/dbraw/zinc/55/58/94/345555894.db2.gz GNNMSTDZTLGSAD-LLVKDONJSA-N 1 1 182.311 1.766 10 0 ADAEMO O=C1CCCC[C@@H]1[N@@H+]1C[C@H]2C[C@H]2C1 306702058 345556451 /nfs/dbraw/zinc/55/64/51/345556451.db2.gz LRHLHDVNDBBSDG-AEJSXWLSSA-N 1 1 179.263 1.450 10 0 ADAEMO O=C1CCCC[C@H]1[N@@H+]1C[C@H]2C[C@H]2C1 306702061 345556578 /nfs/dbraw/zinc/55/65/78/345556578.db2.gz LRHLHDVNDBBSDG-KXUCPTDWSA-N 1 1 179.263 1.450 10 0 ADAEMO CSC(C)(C)c1noc(C[NH3+])n1 306701708 345556593 /nfs/dbraw/zinc/55/65/93/345556593.db2.gz HCPAPOLOIKQLAY-UHFFFAOYSA-N 1 1 187.268 1.126 10 0 ADAEMO F[C@@H]1CCCC[N@H+]([C@H]2CCOC2)C1 306702520 345556911 /nfs/dbraw/zinc/55/69/11/345556911.db2.gz ACBRWMXKSFWIRU-ZJUUUORDSA-N 1 1 187.258 1.599 10 0 ADAEMO F[C@H]1CCCC[N@H+]([C@@H]2CCOC2)C1 306702514 345557026 /nfs/dbraw/zinc/55/70/26/345557026.db2.gz ACBRWMXKSFWIRU-VHSXEESVSA-N 1 1 187.258 1.599 10 0 ADAEMO F[C@@H]1CCCC[N@H+]([C@@H]2CCOC2)C1 306702496 345557038 /nfs/dbraw/zinc/55/70/38/345557038.db2.gz ACBRWMXKSFWIRU-NXEZZACHSA-N 1 1 187.258 1.599 10 0 ADAEMO F[C@H]1CCCC[N@H+]([C@H]2CCOC2)C1 306702505 345557084 /nfs/dbraw/zinc/55/70/84/345557084.db2.gz ACBRWMXKSFWIRU-UWVGGRQHSA-N 1 1 187.258 1.599 10 0 ADAEMO CC1CC([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 306703612 345557258 /nfs/dbraw/zinc/55/72/58/345557258.db2.gz IQXZISYLLYHRIP-RUJICJSRSA-N 1 1 196.338 1.702 10 0 ADAEMO CC1CC([N@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 306703612 345557260 /nfs/dbraw/zinc/55/72/60/345557260.db2.gz IQXZISYLLYHRIP-RUJICJSRSA-N 1 1 196.338 1.702 10 0 ADAEMO CC1CC([N@@H+]2C[C@@H](C)[C@@](C)(CN)C2)C1 306703611 345557366 /nfs/dbraw/zinc/55/73/66/345557366.db2.gz IQXZISYLLYHRIP-RSJDFQLWSA-N 1 1 196.338 1.702 10 0 ADAEMO CC1CC([N@H+]2C[C@@H](C)[C@@](C)(CN)C2)C1 306703611 345557368 /nfs/dbraw/zinc/55/73/68/345557368.db2.gz IQXZISYLLYHRIP-RSJDFQLWSA-N 1 1 196.338 1.702 10 0 ADAEMO CC1CC([N@@H+]2C[C@H](C)[C@@](C)(CN)C2)C1 306703609 345557461 /nfs/dbraw/zinc/55/74/61/345557461.db2.gz IQXZISYLLYHRIP-ADPBJBESSA-N 1 1 196.338 1.702 10 0 ADAEMO CC1CC([N@H+]2C[C@H](C)[C@@](C)(CN)C2)C1 306703609 345557462 /nfs/dbraw/zinc/55/74/62/345557462.db2.gz IQXZISYLLYHRIP-ADPBJBESSA-N 1 1 196.338 1.702 10 0 ADAEMO CC1CC([N@@H+]2C[C@H](C)[C@](C)(CN)C2)C1 306703610 345557515 /nfs/dbraw/zinc/55/75/15/345557515.db2.gz IQXZISYLLYHRIP-POSLAHMBSA-N 1 1 196.338 1.702 10 0 ADAEMO CC1CC([N@H+]2C[C@H](C)[C@](C)(CN)C2)C1 306703610 345557517 /nfs/dbraw/zinc/55/75/17/345557517.db2.gz IQXZISYLLYHRIP-POSLAHMBSA-N 1 1 196.338 1.702 10 0 ADAEMO Cc1[nH+]ccn1CC1CCC(O)CC1 306704401 345558247 /nfs/dbraw/zinc/55/82/47/345558247.db2.gz HFQALNXSNSOTSD-UHFFFAOYSA-N 1 1 194.278 1.743 10 0 ADAEMO CNc1ccc(NC(C)C)c[nH+]1 306705631 345558835 /nfs/dbraw/zinc/55/88/35/345558835.db2.gz LASUFMQJOAOVTB-UHFFFAOYSA-N 1 1 165.240 1.944 10 0 ADAEMO C[C@H](O)C[N@H+]1CC2(CCC2)C[C@@H]1C 306705344 345558917 /nfs/dbraw/zinc/55/89/17/345558917.db2.gz HXYRPWAODHJUTJ-UWVGGRQHSA-N 1 1 183.295 1.632 10 0 ADAEMO FCC[N@@H+]1CCCC[C@@H](F)C1 306706607 345559887 /nfs/dbraw/zinc/55/98/87/345559887.db2.gz JBXCZCXKOGWMNW-MRVPVSSYSA-N 1 1 163.211 1.780 10 0 ADAEMO FCC[N@H+]1CCCC[C@@H](F)C1 306706607 345559889 /nfs/dbraw/zinc/55/98/89/345559889.db2.gz JBXCZCXKOGWMNW-MRVPVSSYSA-N 1 1 163.211 1.780 10 0 ADAEMO CN1CC[C@](C)([N@@H+](C)CC2CC2)C1 306706662 345560071 /nfs/dbraw/zinc/56/00/71/345560071.db2.gz JEJLTLHXFCODBF-NSHDSACASA-N 1 1 182.311 1.422 10 0 ADAEMO COc1cccc(C[NH+]2CCC2)n1 306706591 345560098 /nfs/dbraw/zinc/56/00/98/345560098.db2.gz JBBFBKSIXRZAGL-UHFFFAOYSA-N 1 1 178.235 1.296 10 0 ADAEMO FC(F)C1([NH2+]C2CCC2)CC1 306706492 345560110 /nfs/dbraw/zinc/56/01/10/345560110.db2.gz IXICYWUNSARWLE-UHFFFAOYSA-N 1 1 161.195 1.926 10 0 ADAEMO FCC[N@@H+]1CCCC[C@H](F)C1 306706609 345560246 /nfs/dbraw/zinc/56/02/46/345560246.db2.gz JBXCZCXKOGWMNW-QMMMGPOBSA-N 1 1 163.211 1.780 10 0 ADAEMO FCC[N@H+]1CCCC[C@H](F)C1 306706609 345560249 /nfs/dbraw/zinc/56/02/49/345560249.db2.gz JBXCZCXKOGWMNW-QMMMGPOBSA-N 1 1 163.211 1.780 10 0 ADAEMO C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 306707047 345560392 /nfs/dbraw/zinc/56/03/92/345560392.db2.gz MFPKFJPJZULVHI-OUAUKWLOSA-N 1 1 180.295 1.032 10 0 ADAEMO CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 306707047 345560394 /nfs/dbraw/zinc/56/03/94/345560394.db2.gz MFPKFJPJZULVHI-OUAUKWLOSA-N 1 1 180.295 1.032 10 0 ADAEMO CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 306707047 345560396 /nfs/dbraw/zinc/56/03/96/345560396.db2.gz MFPKFJPJZULVHI-OUAUKWLOSA-N 1 1 180.295 1.032 10 0 ADAEMO C[NH+]1C[C@H]2[C@@H]3CCCC[N@@H+]3C[C@H]2C1 306707045 345560669 /nfs/dbraw/zinc/56/06/69/345560669.db2.gz MFPKFJPJZULVHI-MXWKQRLJSA-N 1 1 180.295 1.032 10 0 ADAEMO CN1C[C@H]2[C@@H]3CCCC[N@H+]3C[C@H]2C1 306707045 345560671 /nfs/dbraw/zinc/56/06/71/345560671.db2.gz MFPKFJPJZULVHI-MXWKQRLJSA-N 1 1 180.295 1.032 10 0 ADAEMO CN1C[C@H]2[C@@H]3CCCC[N@@H+]3C[C@H]2C1 306707045 345560673 /nfs/dbraw/zinc/56/06/73/345560673.db2.gz MFPKFJPJZULVHI-MXWKQRLJSA-N 1 1 180.295 1.032 10 0 ADAEMO C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 306707048 345560726 /nfs/dbraw/zinc/56/07/26/345560726.db2.gz MFPKFJPJZULVHI-VWYCJHECSA-N 1 1 180.295 1.032 10 0 ADAEMO CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 306707048 345560729 /nfs/dbraw/zinc/56/07/29/345560729.db2.gz MFPKFJPJZULVHI-VWYCJHECSA-N 1 1 180.295 1.032 10 0 ADAEMO CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 306707048 345560731 /nfs/dbraw/zinc/56/07/31/345560731.db2.gz MFPKFJPJZULVHI-VWYCJHECSA-N 1 1 180.295 1.032 10 0 ADAEMO C[NH+]1C[C@@H]2[C@H](C1)C[N@H+]1CCCC[C@H]21 306707040 345560793 /nfs/dbraw/zinc/56/07/93/345560793.db2.gz MFPKFJPJZULVHI-GMTAPVOTSA-N 1 1 180.295 1.032 10 0 ADAEMO CN1C[C@@H]2[C@H](C1)C[N@@H+]1CCCC[C@H]21 306707040 345560794 /nfs/dbraw/zinc/56/07/94/345560794.db2.gz MFPKFJPJZULVHI-GMTAPVOTSA-N 1 1 180.295 1.032 10 0 ADAEMO CN1C[C@@H]2[C@H](C1)C[N@H+]1CCCC[C@H]21 306707040 345560795 /nfs/dbraw/zinc/56/07/95/345560795.db2.gz MFPKFJPJZULVHI-GMTAPVOTSA-N 1 1 180.295 1.032 10 0 ADAEMO CC(C)([NH3+])C[N@H+]1CCCC12CCC2 306707228 345560802 /nfs/dbraw/zinc/56/08/02/345560802.db2.gz JOBQSSBYNIZTJO-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CC(C)(N)C[N@@H+]1CCCC12CCC2 306707228 345560805 /nfs/dbraw/zinc/56/08/05/345560805.db2.gz JOBQSSBYNIZTJO-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CC(C)(N)C[N@H+]1CCCC12CCC2 306707228 345560807 /nfs/dbraw/zinc/56/08/07/345560807.db2.gz JOBQSSBYNIZTJO-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CO[C@H](c1[nH+]cn(C)c1N)C(C)C 306708081 345561138 /nfs/dbraw/zinc/56/11/38/345561138.db2.gz NPZOTQOQJRLFNM-QMMMGPOBSA-N 1 1 183.255 1.346 10 0 ADAEMO C[C@H]1CCC[N@H+]1Cc1cc[nH]c1 306707808 345561162 /nfs/dbraw/zinc/56/11/62/345561162.db2.gz KKIDRMVDSHAGJD-VIFPVBQESA-N 1 1 164.252 1.999 10 0 ADAEMO CO[C@@H](c1[nH+]cn(C)c1N)C(C)C 306708080 345561392 /nfs/dbraw/zinc/56/13/92/345561392.db2.gz NPZOTQOQJRLFNM-MRVPVSSYSA-N 1 1 183.255 1.346 10 0 ADAEMO COC1(C)CCN(c2[nH]cc[nH+]2)CC1 306708034 345561533 /nfs/dbraw/zinc/56/15/33/345561533.db2.gz NJBUPMDPJADWJG-UHFFFAOYSA-N 1 1 195.266 1.415 10 0 ADAEMO c1c[nH+]c(N2CC[C@H]3CCC[C@H]32)[nH]1 306708440 345561727 /nfs/dbraw/zinc/56/17/27/345561727.db2.gz NYJPOSIVPLOJMT-RKDXNWHRSA-N 1 1 177.251 1.789 10 0 ADAEMO C[C@H]1C[C@@H](C)N(c2[nH]cc[nH+]2)C1 306708523 345561733 /nfs/dbraw/zinc/56/17/33/345561733.db2.gz OGIOSHLATJRAIN-JGVFFNPUSA-N 1 1 165.240 1.644 10 0 ADAEMO Cc1nccc(N[C@H](C)C[NH3+])c1Cl 306708421 345561748 /nfs/dbraw/zinc/56/17/48/345561748.db2.gz OQIIOMBFXARMDO-ZCFIWIBFSA-N 1 1 199.685 1.803 10 0 ADAEMO C[C@H]1C[C@@H](C)CN1c1[nH]cc[nH+]1 306708525 345561751 /nfs/dbraw/zinc/56/17/51/345561751.db2.gz OGIOSHLATJRAIN-SFYZADRCSA-N 1 1 165.240 1.644 10 0 ADAEMO C[C@H]1C[C@H](C)N(c2[nH]cc[nH+]2)C1 306708527 345561828 /nfs/dbraw/zinc/56/18/28/345561828.db2.gz OGIOSHLATJRAIN-YUMQZZPRSA-N 1 1 165.240 1.644 10 0 ADAEMO c1c[nH+]c(N2CC[C@@H]3CCC[C@H]32)[nH]1 306708438 345561833 /nfs/dbraw/zinc/56/18/33/345561833.db2.gz NYJPOSIVPLOJMT-DTWKUNHWSA-N 1 1 177.251 1.789 10 0 ADAEMO C[C@@H]1C[C@@H](C)N(c2[nH]cc[nH+]2)C1 306708521 345561866 /nfs/dbraw/zinc/56/18/66/345561866.db2.gz OGIOSHLATJRAIN-HTQZYQBOSA-N 1 1 165.240 1.644 10 0 ADAEMO Cc1nccc(N[C@@H](C)C[NH3+])c1Cl 306708416 345561874 /nfs/dbraw/zinc/56/18/74/345561874.db2.gz OQIIOMBFXARMDO-LURJTMIESA-N 1 1 199.685 1.803 10 0 ADAEMO c1c[nH+]c(N2CC[C@H]3CCC[C@@H]32)[nH]1 306708437 345561935 /nfs/dbraw/zinc/56/19/35/345561935.db2.gz NYJPOSIVPLOJMT-BDAKNGLRSA-N 1 1 177.251 1.789 10 0 ADAEMO c1c[nH+]c(N2CC[C@@H]3CCC[C@@H]32)[nH]1 306708439 345562028 /nfs/dbraw/zinc/56/20/28/345562028.db2.gz NYJPOSIVPLOJMT-IUCAKERBSA-N 1 1 177.251 1.789 10 0 ADAEMO C[C@H]1CSCCN1c1[nH]cc[nH+]1 306709376 345562861 /nfs/dbraw/zinc/56/28/61/345562861.db2.gz PMUITFBMDHSUFE-ZETCQYMHSA-N 1 1 183.280 1.351 10 0 ADAEMO C[C@@H]1CSCCN1c1[nH]cc[nH+]1 306709375 345562880 /nfs/dbraw/zinc/56/28/80/345562880.db2.gz PMUITFBMDHSUFE-SSDOTTSWSA-N 1 1 183.280 1.351 10 0 ADAEMO CCN(C)c1[nH]cc(C)[nH+]1 306710593 345563341 /nfs/dbraw/zinc/56/33/41/345563341.db2.gz QZFFHRBGBQZERW-UHFFFAOYSA-N 1 1 139.202 1.174 10 0 ADAEMO CC1(C)[C@@H](O)CC[N@H+]1[C@H]1CCCOC1 306710126 345563389 /nfs/dbraw/zinc/56/33/89/345563389.db2.gz QKWFEVKAGCUESO-UWVGGRQHSA-N 1 1 199.294 1.011 10 0 ADAEMO C1CC1CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306710595 345563480 /nfs/dbraw/zinc/56/34/80/345563480.db2.gz QZNYJKGTAZWOJY-NWDGAFQWSA-N 1 1 194.322 1.328 10 0 ADAEMO C1CC1CCN1CC[C@H]2C[NH2+]C[C@@H]2C1 306710595 345563483 /nfs/dbraw/zinc/56/34/83/345563483.db2.gz QZNYJKGTAZWOJY-NWDGAFQWSA-N 1 1 194.322 1.328 10 0 ADAEMO C1CC1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306710597 345563505 /nfs/dbraw/zinc/56/35/05/345563505.db2.gz QZNYJKGTAZWOJY-VXGBXAGGSA-N 1 1 194.322 1.328 10 0 ADAEMO C1CC1CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 306710597 345563508 /nfs/dbraw/zinc/56/35/08/345563508.db2.gz QZNYJKGTAZWOJY-VXGBXAGGSA-N 1 1 194.322 1.328 10 0 ADAEMO C1CC1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 306710594 345563578 /nfs/dbraw/zinc/56/35/78/345563578.db2.gz QZNYJKGTAZWOJY-NEPJUHHUSA-N 1 1 194.322 1.328 10 0 ADAEMO C1CC1CCN1CC[C@@H]2C[NH2+]C[C@H]2C1 306710594 345563579 /nfs/dbraw/zinc/56/35/79/345563579.db2.gz QZNYJKGTAZWOJY-NEPJUHHUSA-N 1 1 194.322 1.328 10 0 ADAEMO CC1(C)[C@H](O)CC[N@H+]1[C@H]1CCCOC1 306710127 345563598 /nfs/dbraw/zinc/56/35/98/345563598.db2.gz QKWFEVKAGCUESO-VHSXEESVSA-N 1 1 199.294 1.011 10 0 ADAEMO CC1(C)[C@@H](O)CC[N@H+]1[C@@H]1CCCOC1 306710128 345563655 /nfs/dbraw/zinc/56/36/55/345563655.db2.gz QKWFEVKAGCUESO-ZJUUUORDSA-N 1 1 199.294 1.011 10 0 ADAEMO CCC1([N@H+]2CCC[C@H]([NH3+])C2)CC1 306710994 345564112 /nfs/dbraw/zinc/56/41/12/345564112.db2.gz WXVUAFBXADHWOD-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO CCC1(N2CCC[C@H]([NH3+])C2)CC1 306710994 345564115 /nfs/dbraw/zinc/56/41/15/345564115.db2.gz WXVUAFBXADHWOD-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO CCC1([N@H+]2CCC[C@H](N)C2)CC1 306710994 345564118 /nfs/dbraw/zinc/56/41/18/345564118.db2.gz WXVUAFBXADHWOD-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO CCC1([N@H+]2CCC[C@@H]([NH3+])C2)CC1 306710993 345564325 /nfs/dbraw/zinc/56/43/25/345564325.db2.gz WXVUAFBXADHWOD-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CCC1(N2CCC[C@@H]([NH3+])C2)CC1 306710993 345564326 /nfs/dbraw/zinc/56/43/26/345564326.db2.gz WXVUAFBXADHWOD-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CCC1([N@@H+]2CCC[C@@H](N)C2)CC1 306710993 345564327 /nfs/dbraw/zinc/56/43/27/345564327.db2.gz WXVUAFBXADHWOD-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CCC1([N@H+]2CCC[C@@H](N)C2)CC1 306710993 345564328 /nfs/dbraw/zinc/56/43/28/345564328.db2.gz WXVUAFBXADHWOD-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(C)=O 306712613 345565088 /nfs/dbraw/zinc/56/50/88/345565088.db2.gz ZLVFCQDALHMUAA-MNOVXSKESA-N 1 1 196.294 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OEOKIVDTERNDPZ-GHMZBOCLSA-N 1 1 196.338 1.846 10 0 ADAEMO CCC1(CN2C[C@H](C)[C@@H]([NH3+])C2)CCC1 306729032 345578631 /nfs/dbraw/zinc/57/86/31/345578631.db2.gz OEOKIVDTERNDPZ-QWRGUYRKSA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@H]1[C@@H](C)NCC[N@H+]1C1CCCC1 306729047 345578695 /nfs/dbraw/zinc/57/86/95/345578695.db2.gz KLCCFSKTGURDMH-ZJUUUORDSA-N 1 1 182.311 1.611 10 0 ADAEMO CCC1(C[N@H+]2C[C@@H](C)[C@@H](N)C2)CCC1 306729030 345578859 /nfs/dbraw/zinc/57/88/59/345578859.db2.gz OEOKIVDTERNDPZ-MNOVXSKESA-N 1 1 196.338 1.846 10 0 ADAEMO CCC1(CN2C[C@@H](C)[C@@H]([NH3+])C2)CCC1 306729030 345578860 /nfs/dbraw/zinc/57/88/60/345578860.db2.gz OEOKIVDTERNDPZ-MNOVXSKESA-N 1 1 196.338 1.846 10 0 ADAEMO C[N@H+]([C@H]1CCC[C@@]1(C)O)[C@@H]1CCOC1 306731109 345579556 /nfs/dbraw/zinc/57/95/56/345579556.db2.gz QKRMRHIUJLFNGL-OUAUKWLOSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@H]1CCC[N@@H+](Cc2cnc(N)o2)C1 306730088 345579121 /nfs/dbraw/zinc/57/91/21/345579121.db2.gz PFEDSOVAHCOUAJ-QMMMGPOBSA-N 1 1 195.266 1.489 10 0 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/nfs/dbraw/zinc/58/05/76/345580576.db2.gz RMDNPBBFJVLMSF-UHFFFAOYSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H](CN)[N@H+]1CCC2(CCCC2)C1 306734269 345581866 /nfs/dbraw/zinc/58/18/66/345581866.db2.gz UODWTSDFQZIRAM-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@@H](CN)[N@H+]1CCC2(CCCC2)C1 306734268 345581885 /nfs/dbraw/zinc/58/18/85/345581885.db2.gz UODWTSDFQZIRAM-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO c1c[nH+]c(N2C3CCC2CC3)[nH]1 306738741 345585192 /nfs/dbraw/zinc/58/51/92/345585192.db2.gz ITIRSESJRZLCDA-UHFFFAOYSA-N 1 1 163.224 1.541 10 0 ADAEMO Cc1ccc([C@@H](N)CC[NH3+])s1 306739850 345585659 /nfs/dbraw/zinc/58/56/59/345585659.db2.gz SPLLQEFQWZMXBZ-ZETCQYMHSA-N 1 1 170.281 1.405 10 0 ADAEMO Cc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)no1 306739006 345585671 /nfs/dbraw/zinc/58/56/71/345585671.db2.gz BEJRZKQNVJRIFX-YUMQZZPRSA-N 1 1 180.251 1.966 10 0 ADAEMO Cc1cc(C[N@@H+]2[C@@H](C)C[C@H]2C)no1 306739005 345585815 /nfs/dbraw/zinc/58/58/15/345585815.db2.gz BEJRZKQNVJRIFX-OCAPTIKFSA-N 1 1 180.251 1.966 10 0 ADAEMO Cc1cc(C[N@H+]2[C@@H](C)C[C@H]2C)no1 306739005 345585816 /nfs/dbraw/zinc/58/58/16/345585816.db2.gz BEJRZKQNVJRIFX-OCAPTIKFSA-N 1 1 180.251 1.966 10 0 ADAEMO Cc1cc(C[NH+]2[C@H](C)C[C@H]2C)no1 306739004 345585881 /nfs/dbraw/zinc/58/58/81/345585881.db2.gz BEJRZKQNVJRIFX-HTQZYQBOSA-N 1 1 180.251 1.966 10 0 ADAEMO C[C@H]1C[C@H](N)C[N@H+]1C1CCCC1 306742184 345586098 /nfs/dbraw/zinc/58/60/98/345586098.db2.gz FQHWPVDOPKTUMX-IUCAKERBSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H]1C[C@@H](N)C[N@H+]1C1CCCC1 306742188 345586148 /nfs/dbraw/zinc/58/61/48/345586148.db2.gz FQHWPVDOPKTUMX-RKDXNWHRSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H]1C[C@H](N)C[N@H+]1C1CCCC1 306742180 345586217 /nfs/dbraw/zinc/58/62/17/345586217.db2.gz FQHWPVDOPKTUMX-BDAKNGLRSA-N 1 1 168.284 1.351 10 0 ADAEMO Cc1scc(C(=O)C[NH3+])c1C 306742190 345586234 /nfs/dbraw/zinc/58/62/34/345586234.db2.gz VMJAJJRAORLTJJ-UHFFFAOYSA-N 1 1 169.249 1.506 10 0 ADAEMO C[C@H]1C[C@@H](N)C[N@H+]1C1CCCC1 306742181 345586320 /nfs/dbraw/zinc/58/63/20/345586320.db2.gz FQHWPVDOPKTUMX-DTWKUNHWSA-N 1 1 168.284 1.351 10 0 ADAEMO CC(C)[C@@H]1CCCC[N@H+]1CC1(N)CC1 306743075 345586851 /nfs/dbraw/zinc/58/68/51/345586851.db2.gz WMTYUNZUARYSHB-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)[C@H]1CCCC[N@H+]1CC1(N)CC1 306743074 345586933 /nfs/dbraw/zinc/58/69/33/345586933.db2.gz WMTYUNZUARYSHB-LLVKDONJSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1CC([N@H+](C)[C@H](C)CN)C1 306743563 345587438 /nfs/dbraw/zinc/58/74/38/345587438.db2.gz HHFKWVAXTUUABF-QJAFJHJLSA-N 1 1 156.273 1.064 10 0 ADAEMO CC1CC(N(C)[C@H](C)C[NH3+])C1 306743563 345587440 /nfs/dbraw/zinc/58/74/40/345587440.db2.gz HHFKWVAXTUUABF-QJAFJHJLSA-N 1 1 156.273 1.064 10 0 ADAEMO CC1CC([N@H+](C)[C@@H](C)CN)C1 306743562 345587581 /nfs/dbraw/zinc/58/75/81/345587581.db2.gz HHFKWVAXTUUABF-MGURRDGZSA-N 1 1 156.273 1.064 10 0 ADAEMO CC1CC(N(C)[C@@H](C)C[NH3+])C1 306743562 345587582 /nfs/dbraw/zinc/58/75/82/345587582.db2.gz HHFKWVAXTUUABF-MGURRDGZSA-N 1 1 156.273 1.064 10 0 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KNASYIDELFJREX-LPEHRKFASA-N 1 1 184.327 1.890 10 0 ADAEMO C[C@@H]1CSCC[N@H+](C[C@@H](C)N)C1 306748364 345589904 /nfs/dbraw/zinc/58/99/04/345589904.db2.gz JPPGLEYZYGWOKH-DTWKUNHWSA-N 1 1 188.340 1.019 10 0 ADAEMO C[C@@H]1C[C@H]([N@@H+]2CCC(=O)C2)[C@@H]1C 306748972 345590130 /nfs/dbraw/zinc/59/01/30/345590130.db2.gz JYMAJWXMNIPEBR-MRTMQBJTSA-N 1 1 167.252 1.306 10 0 ADAEMO C[C@@H]1C[C@H]([N@H+]2CCC(=O)C2)[C@@H]1C 306748972 345590132 /nfs/dbraw/zinc/59/01/32/345590132.db2.gz JYMAJWXMNIPEBR-MRTMQBJTSA-N 1 1 167.252 1.306 10 0 ADAEMO CN(c1nc(N)cc[nH+]1)C(C)(C)C 306748523 345590200 /nfs/dbraw/zinc/59/02/00/345590200.db2.gz JSYNITIMUXTCFM-UHFFFAOYSA-N 1 1 180.255 1.294 10 0 ADAEMO C[C@H]1[C@H](C)C[C@H]1[N@@H+]1CCC(=O)C1 306748970 345590214 /nfs/dbraw/zinc/59/02/14/345590214.db2.gz JYMAJWXMNIPEBR-KHQFGBGNSA-N 1 1 167.252 1.306 10 0 ADAEMO C[C@H]1[C@H](C)C[C@H]1[N@H+]1CCC(=O)C1 306748970 345590215 /nfs/dbraw/zinc/59/02/15/345590215.db2.gz JYMAJWXMNIPEBR-KHQFGBGNSA-N 1 1 167.252 1.306 10 0 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C[C@H]1C[N@H+](C2CC(C)(C)C2)C[C@@H](C)N1 306788588 345614969 /nfs/dbraw/zinc/61/49/69/345614969.db2.gz XFGUOBRGPKVBQX-AOOOYVTPSA-N 1 1 196.338 1.857 10 0 ADAEMO C[C@H]1CN(C2CC(C)(C)C2)C[C@@H](C)[NH2+]1 306788588 345614971 /nfs/dbraw/zinc/61/49/71/345614971.db2.gz XFGUOBRGPKVBQX-AOOOYVTPSA-N 1 1 196.338 1.857 10 0 ADAEMO c1nc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c[nH]1 306791596 345617397 /nfs/dbraw/zinc/61/73/97/345617397.db2.gz YIDFHRWQGCBOKT-GDPRMGEGSA-N 1 1 191.278 1.688 10 0 ADAEMO CN(c1[nH]cc[nH+]1)C1CCOCC1 306791254 345617505 /nfs/dbraw/zinc/61/75/05/345617505.db2.gz WZSSWABSYODGSY-UHFFFAOYSA-N 1 1 181.239 1.025 10 0 ADAEMO c1nc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c[nH]1 306791597 345617512 /nfs/dbraw/zinc/61/75/12/345617512.db2.gz YIDFHRWQGCBOKT-JMJZKYOTSA-N 1 1 191.278 1.688 10 0 ADAEMO C[C@H]1CN(C2CC(C)(C)C2)C[C@H](C)[NH2+]1 306791319 345617549 /nfs/dbraw/zinc/61/75/49/345617549.db2.gz XFGUOBRGPKVBQX-UWVGGRQHSA-N 1 1 196.338 1.857 10 0 ADAEMO C[C@@H]1CN(C2CC(C)(C)C2)C[C@@H](C)[NH2+]1 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C[N@H+](C1CC(N)C1)[C@@H]1CC[C@H]2C[C@H]21 306801583 345623878 /nfs/dbraw/zinc/62/38/78/345623878.db2.gz RIRXXCPJGSHPEA-CCNJGILJSA-N 1 1 180.295 1.206 10 0 ADAEMO C[N@@H+](C1CC(N)C1)[C@@H]1CC[C@H]2C[C@H]21 306801583 345623880 /nfs/dbraw/zinc/62/38/80/345623880.db2.gz RIRXXCPJGSHPEA-CCNJGILJSA-N 1 1 180.295 1.206 10 0 ADAEMO C[N@@H+](C1CC([NH3+])C1)[C@@H]1CC[C@@H]2C[C@@H]21 306801584 345623894 /nfs/dbraw/zinc/62/38/94/345623894.db2.gz RIRXXCPJGSHPEA-CPVIWBHCSA-N 1 1 180.295 1.206 10 0 ADAEMO C[N@H+](C1CC(N)C1)[C@@H]1CC[C@@H]2C[C@@H]21 306801584 345623897 /nfs/dbraw/zinc/62/38/97/345623897.db2.gz RIRXXCPJGSHPEA-CPVIWBHCSA-N 1 1 180.295 1.206 10 0 ADAEMO C[N@@H+](C1CC(N)C1)[C@@H]1CC[C@@H]2C[C@@H]21 306801584 345623900 /nfs/dbraw/zinc/62/39/00/345623900.db2.gz RIRXXCPJGSHPEA-CPVIWBHCSA-N 1 1 180.295 1.206 10 0 ADAEMO COC(=O)[C@H](C)[NH+]1[C@H](C)C[C@H]1C 306801773 345624164 /nfs/dbraw/zinc/62/41/64/345624164.db2.gz RUPNZZJNQIZNRN-PRJMDXOYSA-N 1 1 171.240 1.031 10 0 ADAEMO 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/nfs/dbraw/zinc/65/30/00/345653000.db2.gz HPSCYSBQJUVLPZ-JOUYRYFISA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@H]1[C@H](C)C[C@H]1[N@H+](C)C1CC(N)C1 306844740 345653084 /nfs/dbraw/zinc/65/30/84/345653084.db2.gz HPSCYSBQJUVLPZ-QNDJDPKUSA-N 1 1 182.311 1.452 10 0 ADAEMO C[C@H]1[C@H](C)C[C@H]1[N@@H+](C)C1CC(N)C1 306844740 345653087 /nfs/dbraw/zinc/65/30/87/345653087.db2.gz HPSCYSBQJUVLPZ-QNDJDPKUSA-N 1 1 182.311 1.452 10 0 ADAEMO Nc1[nH+]cccc1Cc1ccns1 306844003 345653130 /nfs/dbraw/zinc/65/31/30/345653130.db2.gz DHQIIFYZELSZQK-UHFFFAOYSA-N 1 1 191.259 1.711 10 0 ADAEMO C[C@H]1CC(C)(C)c2c[nH+]c(NN)nc21 306846584 345654104 /nfs/dbraw/zinc/65/41/04/345654104.db2.gz KDMBUSXLTAKVPN-LURJTMIESA-N 1 1 192.266 1.547 10 0 ADAEMO C[C@@H]1CC(C)(C)c2c[nH+]c(NN)nc21 306846585 345654311 /nfs/dbraw/zinc/65/43/11/345654311.db2.gz KDMBUSXLTAKVPN-ZCFIWIBFSA-N 1 1 192.266 1.547 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1CCCOC[C@@H]1C 306847588 345654673 /nfs/dbraw/zinc/65/46/73/345654673.db2.gz KAXKKYWKKCNHRC-IUCAKERBSA-N 1 1 185.267 1.075 10 0 ADAEMO CC(=O)[C@@H](C)[N@H+]1CCCOC[C@@H]1C 306847587 345654939 /nfs/dbraw/zinc/65/49/39/345654939.db2.gz KAXKKYWKKCNHRC-DTWKUNHWSA-N 1 1 185.267 1.075 10 0 ADAEMO N[C@H](CC[NH3+])c1cc(F)cc(F)c1 306847384 345655015 /nfs/dbraw/zinc/65/50/15/345655015.db2.gz JRXAGQVDPGLVRK-SECBINFHSA-N 1 1 186.205 1.313 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1CCCOC[C@H]1C 306847586 345655023 /nfs/dbraw/zinc/65/50/23/345655023.db2.gz KAXKKYWKKCNHRC-BDAKNGLRSA-N 1 1 185.267 1.075 10 0 ADAEMO CC(=O)[C@@H](C)[N@H+]1CCCOC[C@H]1C 306847589 345655075 /nfs/dbraw/zinc/65/50/75/345655075.db2.gz KAXKKYWKKCNHRC-RKDXNWHRSA-N 1 1 185.267 1.075 10 0 ADAEMO CCC(=[NH2+])N1CC[C@H](N(C)C)[C@@H]1C 306848794 345655426 /nfs/dbraw/zinc/65/54/26/345655426.db2.gz MFSZIFFRJGNIPC-IUCAKERBSA-N 1 1 183.299 1.398 10 0 ADAEMO CCC(=[NH2+])N1CC[C@H](N(C)C)[C@H]1C 306848792 345655476 /nfs/dbraw/zinc/65/54/76/345655476.db2.gz MFSZIFFRJGNIPC-BDAKNGLRSA-N 1 1 183.299 1.398 10 0 ADAEMO CCC(=[NH2+])N1CC[C@@H](N(C)C)[C@@H]1C 306848793 345655506 /nfs/dbraw/zinc/65/55/06/345655506.db2.gz MFSZIFFRJGNIPC-DTWKUNHWSA-N 1 1 183.299 1.398 10 0 ADAEMO Nc1ncc(C[N@@H+]2C[C@H]3C[C@H]3C2)s1 306848108 345655632 /nfs/dbraw/zinc/65/56/32/345655632.db2.gz MDWCZCLZEHVHGW-KNVOCYPGSA-N 1 1 195.291 1.177 10 0 ADAEMO Cc1c(F)cccc1[C@@H](N)CC[NH3+] 306848020 345655643 /nfs/dbraw/zinc/65/56/43/345655643.db2.gz KTAMHKVVOBGZJO-JTQLQIEISA-N 1 1 182.242 1.483 10 0 ADAEMO Cc1c(F)cccc1[C@H](N)CC[NH3+] 306848021 345655667 /nfs/dbraw/zinc/65/56/67/345655667.db2.gz KTAMHKVVOBGZJO-SNVBAGLBSA-N 1 1 182.242 1.483 10 0 ADAEMO CCC(=[NH2+])N1CC[C@@H](N(C)C)[C@H]1C 306848795 345655915 /nfs/dbraw/zinc/65/59/15/345655915.db2.gz MFSZIFFRJGNIPC-RKDXNWHRSA-N 1 1 183.299 1.398 10 0 ADAEMO C[C@@H](N)C[N@H+]1CC[C@@H](C)[C@H]1C 306850195 345656551 /nfs/dbraw/zinc/65/65/51/345656551.db2.gz OYMDRZAWKPWTPH-IWSPIJDZSA-N 1 1 156.273 1.064 10 0 ADAEMO CC1(C)C[C@H]1c1cc[nH+]c(NN)n1 306850269 345656528 /nfs/dbraw/zinc/65/65/28/345656528.db2.gz OOZWXYCASYCOAC-LURJTMIESA-N 1 1 178.239 1.276 10 0 ADAEMO C[C@@H](N)C[N@@H+]1CC[C@@H](C)[C@H]1C 306850195 345656548 /nfs/dbraw/zinc/65/65/48/345656548.db2.gz OYMDRZAWKPWTPH-IWSPIJDZSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]1[C@H](C)CC[N@H+]1C[C@@H](C)N 306850194 345656820 /nfs/dbraw/zinc/65/68/20/345656820.db2.gz OYMDRZAWKPWTPH-HLTSFMKQSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]1[C@H](C)CC[N@@H+]1C[C@@H](C)N 306850194 345656824 /nfs/dbraw/zinc/65/68/24/345656824.db2.gz OYMDRZAWKPWTPH-HLTSFMKQSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]1CC[N@@H+](C[C@@H](C)N)[C@@H]1C 306850193 345656852 /nfs/dbraw/zinc/65/68/52/345656852.db2.gz OYMDRZAWKPWTPH-DJLDLDEBSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]1CC[N@H+](C[C@@H](C)N)[C@@H]1C 306850193 345656855 /nfs/dbraw/zinc/65/68/55/345656855.db2.gz OYMDRZAWKPWTPH-DJLDLDEBSA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]1CC[N@@H+](C[C@@H](C)N)[C@H]1C 306850196 345656872 /nfs/dbraw/zinc/65/68/72/345656872.db2.gz OYMDRZAWKPWTPH-YIZRAAEISA-N 1 1 156.273 1.064 10 0 ADAEMO C[C@H]1CC[N@H+](C[C@@H](C)N)[C@H]1C 306850196 345656873 /nfs/dbraw/zinc/65/68/73/345656873.db2.gz OYMDRZAWKPWTPH-YIZRAAEISA-N 1 1 156.273 1.064 10 0 ADAEMO CC1(C)C[C@@H]1c1cc[nH+]c(NN)n1 306850271 345656935 /nfs/dbraw/zinc/65/69/35/345656935.db2.gz OOZWXYCASYCOAC-ZCFIWIBFSA-N 1 1 178.239 1.276 10 0 ADAEMO C[C@@H]1C[C@H](N)C[N@H+]1CC1(C)CCC1 306851166 345657225 /nfs/dbraw/zinc/65/72/25/345657225.db2.gz QERSKYPHJUPYFA-ZJUUUORDSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1C[C@H]([NH3+])CN1CC1(C)CCC1 306851166 345657226 /nfs/dbraw/zinc/65/72/26/345657226.db2.gz QERSKYPHJUPYFA-ZJUUUORDSA-N 1 1 182.311 1.598 10 0 ADAEMO Cc1[nH+]cc([C@H](N)C(C)(F)F)n1C 306851163 345657237 /nfs/dbraw/zinc/65/72/37/345657237.db2.gz PXWYIBQRCLFUNQ-ZETCQYMHSA-N 1 1 189.209 1.384 10 0 ADAEMO C[C@@H]1C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C 306851343 345657241 /nfs/dbraw/zinc/65/72/41/345657241.db2.gz QGNTWNAIJXTJSE-KYXWUPHJSA-N 1 1 168.284 1.125 10 0 ADAEMO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1C[C@H]1C 306851344 345657255 /nfs/dbraw/zinc/65/72/55/345657255.db2.gz QGNTWNAIJXTJSE-RGOKHQFPSA-N 1 1 168.284 1.125 10 0 ADAEMO C[C@H]1C[C@@H](N)C[N@H+]1CC1(C)CCC1 306851160 345657323 /nfs/dbraw/zinc/65/73/23/345657323.db2.gz QERSKYPHJUPYFA-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1C[C@@H]([NH3+])CN1CC1(C)CCC1 306851160 345657324 /nfs/dbraw/zinc/65/73/24/345657324.db2.gz QERSKYPHJUPYFA-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C 306851341 345657364 /nfs/dbraw/zinc/65/73/64/345657364.db2.gz QGNTWNAIJXTJSE-IMSYWVGJSA-N 1 1 168.284 1.125 10 0 ADAEMO C[C@H]1C[C@H](O)C[N@H+](C2CCCC2)C1 306851035 345657371 /nfs/dbraw/zinc/65/73/71/345657371.db2.gz PTIZUNTYIBGDBD-ONGXEEELSA-N 1 1 183.295 1.632 10 0 ADAEMO Cc1[nH+]cc([C@@H](N)C(C)(F)F)n1C 306851162 345657404 /nfs/dbraw/zinc/65/74/04/345657404.db2.gz PXWYIBQRCLFUNQ-SSDOTTSWSA-N 1 1 189.209 1.384 10 0 ADAEMO C[C@H]1C[C@H](N)C[N@H+]1CC1(C)CCC1 306851154 345657406 /nfs/dbraw/zinc/65/74/06/345657406.db2.gz QERSKYPHJUPYFA-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1C[C@H]([NH3+])CN1CC1(C)CCC1 306851154 345657407 /nfs/dbraw/zinc/65/74/07/345657407.db2.gz QERSKYPHJUPYFA-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1C[C@@H](N)C[N@H+]1CC1(C)CCC1 306851147 345657430 /nfs/dbraw/zinc/65/74/30/345657430.db2.gz QERSKYPHJUPYFA-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1C[C@@H]([NH3+])CN1CC1(C)CCC1 306851147 345657431 /nfs/dbraw/zinc/65/74/31/345657431.db2.gz QERSKYPHJUPYFA-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@H]1C 306851342 345657437 /nfs/dbraw/zinc/65/74/37/345657437.db2.gz QGNTWNAIJXTJSE-KATARQTJSA-N 1 1 168.284 1.125 10 0 ADAEMO C[C@@H](C(N)=S)[N@H+]1CCC2(CCC2)C1 306852573 345657872 /nfs/dbraw/zinc/65/78/72/345657872.db2.gz RYTFAPMQBNIWNM-QMMMGPOBSA-N 1 1 198.335 1.537 10 0 ADAEMO C[C@H](C(N)=S)[N@H+]1CCC2(CCC2)C1 306852571 345657923 /nfs/dbraw/zinc/65/79/23/345657923.db2.gz RYTFAPMQBNIWNM-MRVPVSSYSA-N 1 1 198.335 1.537 10 0 ADAEMO CNC[C@@H]1CCC[N@@H+]1[C@H]1CCC1(C)C 306853337 345658655 /nfs/dbraw/zinc/65/86/55/345658655.db2.gz SYMIPFVGUXWQIP-QWRGUYRKSA-N 1 1 196.338 1.859 10 0 ADAEMO CNC[C@H]1CCC[N@@H+]1[C@H]1CCC1(C)C 306853336 345658552 /nfs/dbraw/zinc/65/85/52/345658552.db2.gz SYMIPFVGUXWQIP-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO CNC[C@H]1CCC[N@H+]1[C@H]1CCC1(C)C 306853336 345658554 /nfs/dbraw/zinc/65/85/54/345658554.db2.gz SYMIPFVGUXWQIP-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO CNC[C@H]1CCC[N@@H+]1[C@@H]1CCC1(C)C 306853335 345658641 /nfs/dbraw/zinc/65/86/41/345658641.db2.gz SYMIPFVGUXWQIP-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO CNC[C@H]1CCC[N@H+]1[C@@H]1CCC1(C)C 306853335 345658642 /nfs/dbraw/zinc/65/86/42/345658642.db2.gz SYMIPFVGUXWQIP-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@H]1C[N@@H+](CCn2cccn2)[C@@H]1C 306854321 345659003 /nfs/dbraw/zinc/65/90/03/345659003.db2.gz UVELUYQKIUEGJQ-VHSXEESVSA-N 1 1 179.267 1.223 10 0 ADAEMO C[C@H]1C[N@@H+](CCn2cccn2)[C@H]1C 306854320 345659098 /nfs/dbraw/zinc/65/90/98/345659098.db2.gz UVELUYQKIUEGJQ-UWVGGRQHSA-N 1 1 179.267 1.223 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1CCn1cccn1 306854322 345659197 /nfs/dbraw/zinc/65/91/97/345659197.db2.gz UVELUYQKIUEGJQ-ZJUUUORDSA-N 1 1 179.267 1.223 10 0 ADAEMO C[C@@H](Nc1cc[nH+]c(N)n1)C(F)F 306858482 345662169 /nfs/dbraw/zinc/66/21/69/345662169.db2.gz ZJQZULBCPJBAGI-SCSAIBSYSA-N 1 1 188.181 1.124 10 0 ADAEMO C[C@H]1CC[C@H]1Nc1cc(N)[nH+]cn1 306858882 345662217 /nfs/dbraw/zinc/66/22/17/345662217.db2.gz DPTLBGGRXWDUCK-NKWVEPMBSA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@H]1CC[C@H]1Nc1cc(N)nc[nH+]1 306858882 345662220 /nfs/dbraw/zinc/66/22/20/345662220.db2.gz DPTLBGGRXWDUCK-NKWVEPMBSA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@@H]1CC[C@H]1Nc1cc(N)[nH+]cn1 306858887 345662236 /nfs/dbraw/zinc/66/22/36/345662236.db2.gz DPTLBGGRXWDUCK-RNFRBKRXSA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@@H]1CC[C@H]1Nc1cc(N)nc[nH+]1 306858887 345662238 /nfs/dbraw/zinc/66/22/38/345662238.db2.gz DPTLBGGRXWDUCK-RNFRBKRXSA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@H]1CC[C@@H]1Nc1cc(N)[nH+]cn1 306858875 345662337 /nfs/dbraw/zinc/66/23/37/345662337.db2.gz DPTLBGGRXWDUCK-BQBZGAKWSA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@H]1CC[C@@H]1Nc1cc(N)nc[nH+]1 306858875 345662339 /nfs/dbraw/zinc/66/23/39/345662339.db2.gz DPTLBGGRXWDUCK-BQBZGAKWSA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@@H]1CC[C@@H]1Nc1cc(N)[nH+]cn1 306858892 345662364 /nfs/dbraw/zinc/66/23/64/345662364.db2.gz DPTLBGGRXWDUCK-RQJHMYQMSA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@@H]1CC[C@@H]1Nc1cc(N)nc[nH+]1 306858892 345662365 /nfs/dbraw/zinc/66/23/65/345662365.db2.gz DPTLBGGRXWDUCK-RQJHMYQMSA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@H](Nc1cc[nH+]c(N)n1)C(F)F 306858481 345662434 /nfs/dbraw/zinc/66/24/34/345662434.db2.gz ZJQZULBCPJBAGI-BYPYZUCNSA-N 1 1 188.181 1.124 10 0 ADAEMO Cc1[nH+]cc([C@@H]2CCCC2=O)n1C 306860295 345663468 /nfs/dbraw/zinc/66/34/68/345663468.db2.gz DQFLSESVXNMKFM-QMMMGPOBSA-N 1 1 178.235 1.565 10 0 ADAEMO CN(C1CC([NH3+])C1)[C@@H]1CCC1(C)C 306860203 345663540 /nfs/dbraw/zinc/66/35/40/345663540.db2.gz FTQZWLOTQVZPDO-UDNWOFFPSA-N 1 1 182.311 1.597 10 0 ADAEMO C[N@H+](C1CC(N)C1)[C@@H]1CCC1(C)C 306860203 345663542 /nfs/dbraw/zinc/66/35/42/345663542.db2.gz FTQZWLOTQVZPDO-UDNWOFFPSA-N 1 1 182.311 1.597 10 0 ADAEMO C[N@@H+](C1CC(N)C1)[C@@H]1CCC1(C)C 306860203 345663544 /nfs/dbraw/zinc/66/35/44/345663544.db2.gz FTQZWLOTQVZPDO-UDNWOFFPSA-N 1 1 182.311 1.597 10 0 ADAEMO CN(C1CC([NH3+])C1)[C@H]1CCC1(C)C 306860201 345663631 /nfs/dbraw/zinc/66/36/31/345663631.db2.gz FTQZWLOTQVZPDO-RTBKNWGFSA-N 1 1 182.311 1.597 10 0 ADAEMO C[N@H+](C1CC(N)C1)[C@H]1CCC1(C)C 306860201 345663634 /nfs/dbraw/zinc/66/36/34/345663634.db2.gz FTQZWLOTQVZPDO-RTBKNWGFSA-N 1 1 182.311 1.597 10 0 ADAEMO C[N@@H+](C1CC(N)C1)[C@H]1CCC1(C)C 306860201 345663636 /nfs/dbraw/zinc/66/36/36/345663636.db2.gz FTQZWLOTQVZPDO-RTBKNWGFSA-N 1 1 182.311 1.597 10 0 ADAEMO C[N@H+]1CCC[C@H]1CNn1cccc1 306860634 345663941 /nfs/dbraw/zinc/66/39/41/345663941.db2.gz DSAFDRRWCDDOCE-JTQLQIEISA-N 1 1 179.267 1.126 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](N)C(C)(C)C1 306860594 345663993 /nfs/dbraw/zinc/66/39/93/345663993.db2.gz DQXCMYKLAXGBKY-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)N1C[C@@H]([NH3+])C(C)(C)C1 306860594 345663994 /nfs/dbraw/zinc/66/39/94/345663994.db2.gz DQXCMYKLAXGBKY-DTWKUNHWSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](N)C(C)(C)C1 306860600 345664000 /nfs/dbraw/zinc/66/40/00/345664000.db2.gz DQXCMYKLAXGBKY-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)N1C[C@H]([NH3+])C(C)(C)C1 306860600 345664001 /nfs/dbraw/zinc/66/40/01/345664001.db2.gz DQXCMYKLAXGBKY-IUCAKERBSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@@H]1C[C@H]([N@H+]2CCNC[C@H]2C)[C@@H]1C 306860702 345664042 /nfs/dbraw/zinc/66/40/42/345664042.db2.gz DZCZUHGXCPJKNP-DBIOUOCHSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C)[C@@H]1C 306860702 345664043 /nfs/dbraw/zinc/66/40/43/345664043.db2.gz DZCZUHGXCPJKNP-DBIOUOCHSA-N 1 1 182.311 1.325 10 0 ADAEMO 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307022760 345759830 /nfs/dbraw/zinc/75/98/30/345759830.db2.gz HHOOUHKKDNQMOC-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H]([NH3+])C(=O)c1ccns1 307023432 345760238 /nfs/dbraw/zinc/76/02/38/345760238.db2.gz XWYVNIDRYCPIFK-YFKPBYRVSA-N 1 1 170.237 1.063 10 0 ADAEMO CC[C@@H]([NH3+])C(=O)c1ccns1 307023431 345760403 /nfs/dbraw/zinc/76/04/03/345760403.db2.gz XWYVNIDRYCPIFK-RXMQYKEDSA-N 1 1 170.237 1.063 10 0 ADAEMO CC[C@@H](c1ccn(C)n1)[NH+]1CCC1 307024472 345760909 /nfs/dbraw/zinc/76/09/09/345760909.db2.gz WFOQRGRRQLCRPY-JTQLQIEISA-N 1 1 179.267 1.577 10 0 ADAEMO CC[C@H](c1ccn(C)n1)[NH+]1CCC1 307024473 345760915 /nfs/dbraw/zinc/76/09/15/345760915.db2.gz WFOQRGRRQLCRPY-SNVBAGLBSA-N 1 1 179.267 1.577 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@@H]1CCCOC1 307024312 345761122 /nfs/dbraw/zinc/76/11/22/345761122.db2.gz WCELZZYSOZCLAM-AXFHLTTASA-N 1 1 183.295 1.896 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@H]1CCCOC1 307024446 345761235 /nfs/dbraw/zinc/76/12/35/345761235.db2.gz 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c1c[nH]c(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 307182590 345871955 /nfs/dbraw/zinc/87/19/55/345871955.db2.gz OHSPACALPQNNGI-SFYZADRCSA-N 1 1 163.224 1.004 10 0 ADAEMO C[NH2+][C@@H]1CCC[C@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307183755 345872457 /nfs/dbraw/zinc/87/24/57/345872457.db2.gz ZBDNBPMEOBRDJV-LMLFDSFASA-N 1 1 180.295 1.079 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@@H+]1Cc1cc[nH]n1 307184211 345873144 /nfs/dbraw/zinc/87/31/44/345873144.db2.gz BAUZWHLELGKQFB-OCAPTIKFSA-N 1 1 165.240 1.392 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1cc[nH]n1 307184211 345873145 /nfs/dbraw/zinc/87/31/45/345873145.db2.gz BAUZWHLELGKQFB-OCAPTIKFSA-N 1 1 165.240 1.392 10 0 ADAEMO CNc1ccnc(C[NH+]2CCCC2)n1 307184780 345873164 /nfs/dbraw/zinc/87/31/64/345873164.db2.gz GCGAXXVFBCLAPA-UHFFFAOYSA-N 1 1 192.266 1.114 10 0 ADAEMO C/C=C/C[N@@H+](C)C1CCC(O)CC1 307188692 345875488 /nfs/dbraw/zinc/87/54/88/345875488.db2.gz BSPYZSBHTZUEKS-ONEGZZNKSA-N 1 1 183.295 1.798 10 0 ADAEMO C[C@@H](N)C[N@@H+]1CCCC12CCCC2 307188462 345875605 /nfs/dbraw/zinc/87/56/05/345875605.db2.gz BKLLZZLSMADKGR-SNVBAGLBSA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@@H](N)C[N@H+]1CCCC12CCCC2 307188462 345875606 /nfs/dbraw/zinc/87/56/06/345875606.db2.gz BKLLZZLSMADKGR-SNVBAGLBSA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@@H](c1[nH+]cn(N)c1N)C(C)(C)C 307188539 345875618 /nfs/dbraw/zinc/87/56/18/345875618.db2.gz RKVNRNFUTZRHGE-LURJTMIESA-N 1 1 182.271 1.329 10 0 ADAEMO C[C@H](c1[nH+]cn(N)c1N)C(C)(C)C 307188540 345875744 /nfs/dbraw/zinc/87/57/44/345875744.db2.gz RKVNRNFUTZRHGE-ZCFIWIBFSA-N 1 1 182.271 1.329 10 0 ADAEMO Cc1n[nH]cc1C[N@H+]1CCC1(C)C 307188466 345875782 /nfs/dbraw/zinc/87/57/82/345875782.db2.gz BKPVHUPSLNIYIG-UHFFFAOYSA-N 1 1 179.267 1.702 10 0 ADAEMO CC1(C)CN(c2[nH]cc[nH+]2)CCO1 307190330 345876597 /nfs/dbraw/zinc/87/65/97/345876597.db2.gz ZFKKUVGYPMAKDD-UHFFFAOYSA-N 1 1 181.239 1.025 10 0 ADAEMO Cc1cocc1[C@H]([NH3+])c1ncc[nH]1 307191691 345877186 /nfs/dbraw/zinc/87/71/86/345877186.db2.gz ALLSQDMDNKAEJH-QMMMGPOBSA-N 1 1 177.207 1.359 10 0 ADAEMO Cc1cocc1[C@@H]([NH3+])c1ncc[nH]1 307191690 345877298 /nfs/dbraw/zinc/87/72/98/345877298.db2.gz ALLSQDMDNKAEJH-MRVPVSSYSA-N 1 1 177.207 1.359 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1CCn1cccn1 307191503 345877456 /nfs/dbraw/zinc/87/74/56/345877456.db2.gz KLXDDUCPAOISRL-AOOOYVTPSA-N 1 1 179.267 1.366 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)CCN1 307192854 345878368 /nfs/dbraw/zinc/87/83/68/345878368.db2.gz DMNVKTZBFYAMQC-CHWFTXMASA-N 1 1 180.295 1.079 10 0 ADAEMO C[C@@H]1CN([C@H]2C[C@@H]3C[C@@H]3C2)CC[NH2+]1 307192854 345878371 /nfs/dbraw/zinc/87/83/71/345878371.db2.gz DMNVKTZBFYAMQC-CHWFTXMASA-N 1 1 180.295 1.079 10 0 ADAEMO CC1(C)CC[N@H+]1Cc1cnc(N)o1 307192700 345878390 /nfs/dbraw/zinc/87/83/90/345878390.db2.gz MJSNSJCQPJNHOS-UHFFFAOYSA-N 1 1 181.239 1.241 10 0 ADAEMO C[C@H]1C[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)CCN1 307192856 345878450 /nfs/dbraw/zinc/87/84/50/345878450.db2.gz DMNVKTZBFYAMQC-MMWGEVLESA-N 1 1 180.295 1.079 10 0 ADAEMO C[C@H]1CN([C@H]2C[C@@H]3C[C@@H]3C2)CC[NH2+]1 307192856 345878453 /nfs/dbraw/zinc/87/84/53/345878453.db2.gz DMNVKTZBFYAMQC-MMWGEVLESA-N 1 1 180.295 1.079 10 0 ADAEMO CC(=O)[C@@H](C)[N@H+]1CCC2(CC2)C1 307193844 345879954 /nfs/dbraw/zinc/87/99/54/345879954.db2.gz HIOPVSXMFUCILS-MRVPVSSYSA-N 1 1 167.252 1.450 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1CCC2(CC2)C1 307193845 345880006 /nfs/dbraw/zinc/88/00/06/345880006.db2.gz HIOPVSXMFUCILS-QMMMGPOBSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@H]1C[NH2+]C[C@H](C)N1C[C@H]1C[C@H]1C 307194462 345880503 /nfs/dbraw/zinc/88/05/03/345880503.db2.gz PPXSRRXSVFCTEE-VPOLOUISSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1C[C@@H]1CN1[C@H](C)C[NH2+]C[C@H]1C 307194461 345880509 /nfs/dbraw/zinc/88/05/09/345880509.db2.gz PPXSRRXSVFCTEE-GWOFURMSSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ncccn2)C1 307196788 345882651 /nfs/dbraw/zinc/88/26/51/345882651.db2.gz UIROLLHOOSBVPS-VIFPVBQESA-N 1 1 177.251 1.318 10 0 ADAEMO CC(C)[C@H](O)C[N@H+]1CCC[C@H]2C[C@H]21 307197457 345882797 /nfs/dbraw/zinc/88/27/97/345882797.db2.gz RUPUQBUMBRXNCV-HBNTYKKESA-N 1 1 183.295 1.488 10 0 ADAEMO CC[C@@]1(C)C[C@H]1[NH+]1CCNCC1 307199104 345884231 /nfs/dbraw/zinc/88/42/31/345884231.db2.gz WRWUSARZACVCMU-ZJUUUORDSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]([NH3+])C1(C)C 307199309 345884326 /nfs/dbraw/zinc/88/43/26/345884326.db2.gz XCPLZWIIPLQDPW-UTLUCORTSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1[C@H]1C[C@H](N)C1(C)C 307199309 345884327 /nfs/dbraw/zinc/88/43/27/345884327.db2.gz XCPLZWIIPLQDPW-UTLUCORTSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@H]1C[C@H](N)C1(C)C 307199309 345884329 /nfs/dbraw/zinc/88/43/29/345884329.db2.gz XCPLZWIIPLQDPW-UTLUCORTSA-N 1 1 182.311 1.597 10 0 ADAEMO CC[C@@]1(C)C[C@@H]1[NH+]1CCNCC1 307199101 345884380 /nfs/dbraw/zinc/88/43/80/345884380.db2.gz WRWUSARZACVCMU-UWVGGRQHSA-N 1 1 168.284 1.080 10 0 ADAEMO CC[C@]1(C)C[C@H]1[NH+]1CCNCC1 307199100 345884426 /nfs/dbraw/zinc/88/44/26/345884426.db2.gz WRWUSARZACVCMU-NXEZZACHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]([NH3+])C1(C)C 307199305 345884504 /nfs/dbraw/zinc/88/45/04/345884504.db2.gz XCPLZWIIPLQDPW-KXUCPTDWSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H](N)C1(C)C 307199305 345884505 /nfs/dbraw/zinc/88/45/05/345884505.db2.gz XCPLZWIIPLQDPW-KXUCPTDWSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H](N)C1(C)C 307199305 345884508 /nfs/dbraw/zinc/88/45/08/345884508.db2.gz XCPLZWIIPLQDPW-KXUCPTDWSA-N 1 1 182.311 1.597 10 0 ADAEMO CC[C@]1(C)C[C@@H]1[NH+]1CCNCC1 307199103 345884658 /nfs/dbraw/zinc/88/46/58/345884658.db2.gz WRWUSARZACVCMU-VHSXEESVSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@H]1C[C@@H]([NH3+])C1(C)C 307199303 345884671 /nfs/dbraw/zinc/88/46/71/345884671.db2.gz XCPLZWIIPLQDPW-BBBLOLIVSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1[C@H]1C[C@@H](N)C1(C)C 307199303 345884674 /nfs/dbraw/zinc/88/46/74/345884674.db2.gz XCPLZWIIPLQDPW-BBBLOLIVSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@H]1C[C@@H](N)C1(C)C 307199303 345884677 /nfs/dbraw/zinc/88/46/77/345884677.db2.gz XCPLZWIIPLQDPW-BBBLOLIVSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H]([NH3+])C1(C)C 307199307 345884690 /nfs/dbraw/zinc/88/46/90/345884690.db2.gz XCPLZWIIPLQDPW-OPRDCNLKSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@@H](N)C1(C)C 307199307 345884692 /nfs/dbraw/zinc/88/46/92/345884692.db2.gz XCPLZWIIPLQDPW-OPRDCNLKSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H](N)C1(C)C 307199307 345884696 /nfs/dbraw/zinc/88/46/96/345884696.db2.gz XCPLZWIIPLQDPW-OPRDCNLKSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@H+]1CC1(C)CCC1 307200264 345885095 /nfs/dbraw/zinc/88/50/95/345885095.db2.gz BWDJYKRCKZYYOK-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@H]([NH3+])CCN1CC1(C)CCC1 307200264 345885098 /nfs/dbraw/zinc/88/50/98/345885098.db2.gz BWDJYKRCKZYYOK-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@H+]1CC1(C)CCC1 307200262 345885128 /nfs/dbraw/zinc/88/51/28/345885128.db2.gz BWDJYKRCKZYYOK-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@@H]([NH3+])CCN1CC1(C)CCC1 307200262 345885130 /nfs/dbraw/zinc/88/51/30/345885130.db2.gz BWDJYKRCKZYYOK-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO Cc1nc(F)ccc1C[NH+]1CCC1 307199722 345885292 /nfs/dbraw/zinc/88/52/92/345885292.db2.gz CRPSXPJEHSGMKT-UHFFFAOYSA-N 1 1 180.226 1.735 10 0 ADAEMO CCc1nc([C@@H]2COC(=[NH2+])N2)cs1 307201986 345886155 /nfs/dbraw/zinc/88/61/55/345886155.db2.gz CHYWBNYULFVCGC-YFKPBYRVSA-N 1 1 197.263 1.092 10 0 ADAEMO Nc1ccc(N2CC=CC2)[nH+]c1 307201520 345886212 /nfs/dbraw/zinc/88/62/12/345886212.db2.gz CQVGICVNUKSDLP-UHFFFAOYSA-N 1 1 161.208 1.040 10 0 ADAEMO CC[C@H](O)C[N@H+]1CCC=C(C)C1 307201538 345886345 /nfs/dbraw/zinc/88/63/45/345886345.db2.gz FCUROHVKHDWAMW-JTQLQIEISA-N 1 1 169.268 1.409 10 0 ADAEMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccco1 307201283 345886478 /nfs/dbraw/zinc/88/64/78/345886478.db2.gz CWQOKNLUHXHFAK-NXEZZACHSA-N 1 1 195.262 1.625 10 0 ADAEMO CCc1nc([C@H]2COC(=[NH2+])N2)cs1 307201983 345886570 /nfs/dbraw/zinc/88/65/70/345886570.db2.gz CHYWBNYULFVCGC-RXMQYKEDSA-N 1 1 197.263 1.092 10 0 ADAEMO C1C[C@H]2[C@H](C1)CC[N@H+]2[C@@H]1CC[NH2+]C1 307202622 345886887 /nfs/dbraw/zinc/88/68/87/345886887.db2.gz FWQUVOPQLWBOOJ-MXWKQRLJSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@@H]2CC[N@@H+]([C@@H]3CC[NH2+]C3)[C@@H]2C1 307202621 345886911 /nfs/dbraw/zinc/88/69/11/345886911.db2.gz FWQUVOPQLWBOOJ-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@H]2[C@H](C1)CC[N@H+]2[C@H]1CC[NH2+]C1 307202624 345887006 /nfs/dbraw/zinc/88/70/06/345887006.db2.gz FWQUVOPQLWBOOJ-VWYCJHECSA-N 1 1 180.295 1.223 10 0 ADAEMO CC[C@H]([NH3+])c1nc(-c2ccon2)no1 307202874 345887155 /nfs/dbraw/zinc/88/71/55/345887155.db2.gz DOFYZPFMLUSBNE-YFKPBYRVSA-N 1 1 194.194 1.134 10 0 ADAEMO C1C[C@@H]2CC[N@@H+]([C@H]3CC[NH2+]C3)[C@@H]2C1 307202623 345887184 /nfs/dbraw/zinc/88/71/84/345887184.db2.gz FWQUVOPQLWBOOJ-OUAUKWLOSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CCCNC2)[C@@H]1C 307203508 345887658 /nfs/dbraw/zinc/88/76/58/345887658.db2.gz FOVLVZIXERDSKY-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CCN([C@@H]2CCC[NH2+]C2)[C@@H]1C 307203508 345887659 /nfs/dbraw/zinc/88/76/59/345887659.db2.gz FOVLVZIXERDSKY-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1[C@H](C)CC[N@@H+]1[C@H]1CCCNC1 307203513 345887684 /nfs/dbraw/zinc/88/76/84/345887684.db2.gz FOVLVZIXERDSKY-VWYCJHECSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1[C@H](C)CCN1[C@H]1CCC[NH2+]C1 307203513 345887685 /nfs/dbraw/zinc/88/76/85/345887685.db2.gz FOVLVZIXERDSKY-VWYCJHECSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@H]2CCCNC2)[C@@H]1C 307203509 345887760 /nfs/dbraw/zinc/88/77/60/345887760.db2.gz FOVLVZIXERDSKY-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CCN([C@H]2CCC[NH2+]C2)[C@@H]1C 307203509 345887763 /nfs/dbraw/zinc/88/77/63/345887763.db2.gz FOVLVZIXERDSKY-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CCCNC1 307203511 345887817 /nfs/dbraw/zinc/88/78/17/345887817.db2.gz FOVLVZIXERDSKY-OUAUKWLOSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1[C@H](C)CCN1[C@@H]1CCC[NH2+]C1 307203511 345887820 /nfs/dbraw/zinc/88/78/20/345887820.db2.gz FOVLVZIXERDSKY-OUAUKWLOSA-N 1 1 182.311 1.469 10 0 ADAEMO Cc1cc(-c2nc(C[NH3+])no2)cs1 307205750 345889711 /nfs/dbraw/zinc/88/97/11/345889711.db2.gz GWZFZZCCVPDPFU-UHFFFAOYSA-N 1 1 195.247 1.565 10 0 ADAEMO C1=CC[N@@H+](Cc2cc[nH]c2)CC1 307206061 345889752 /nfs/dbraw/zinc/88/97/52/345889752.db2.gz KHLRKXMDZLJWNN-UHFFFAOYSA-N 1 1 162.236 1.777 10 0 ADAEMO C[C@H]1CCN(c2[nH]cc[nH+]2)CCS1 307206730 345890248 /nfs/dbraw/zinc/89/02/48/345890248.db2.gz ISJMDWIYPVTEGM-QMMMGPOBSA-N 1 1 197.307 1.742 10 0 ADAEMO C[C@@H]1CCN(c2[nH]cc[nH+]2)CCS1 307206729 345890858 /nfs/dbraw/zinc/89/08/58/345890858.db2.gz ISJMDWIYPVTEGM-MRVPVSSYSA-N 1 1 197.307 1.742 10 0 ADAEMO C[C@@H]1CC[C@@H](N)C[N@H+]1C1CCCC1 307207697 345891217 /nfs/dbraw/zinc/89/12/17/345891217.db2.gz IPQGKFKSEBKONX-NXEZZACHSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H]1CC[C@@H]([NH3+])CN1C1CCCC1 307207697 345891220 /nfs/dbraw/zinc/89/12/20/345891220.db2.gz IPQGKFKSEBKONX-NXEZZACHSA-N 1 1 182.311 1.741 10 0 ADAEMO Cc1cc(C(=O)C2([NH3+])CC2)sn1 307207800 345891374 /nfs/dbraw/zinc/89/13/74/345891374.db2.gz IWMGOUAUAFODED-UHFFFAOYSA-N 1 1 182.248 1.126 10 0 ADAEMO C[C@H]1CC[C@@H](N)C[N@H+]1C1CCCC1 307207701 345891388 /nfs/dbraw/zinc/89/13/88/345891388.db2.gz IPQGKFKSEBKONX-VHSXEESVSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H]1CC[C@@H]([NH3+])CN1C1CCCC1 307207701 345891391 /nfs/dbraw/zinc/89/13/91/345891391.db2.gz IPQGKFKSEBKONX-VHSXEESVSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H]1CC[C@H](N)C[N@H+]1C1CCCC1 307207699 345891410 /nfs/dbraw/zinc/89/14/10/345891410.db2.gz IPQGKFKSEBKONX-UWVGGRQHSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H]1CC[C@H]([NH3+])CN1C1CCCC1 307207699 345891413 /nfs/dbraw/zinc/89/14/13/345891413.db2.gz IPQGKFKSEBKONX-UWVGGRQHSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H]1CC[C@H]([NH3+])CN1C1CCCC1 307207704 345891515 /nfs/dbraw/zinc/89/15/15/345891515.db2.gz IPQGKFKSEBKONX-ZJUUUORDSA-N 1 1 182.311 1.741 10 0 ADAEMO CC[C@H](F)C[NH+]1C[C@H](C)O[C@@H](C)C1 307208104 345891842 /nfs/dbraw/zinc/89/18/42/345891842.db2.gz NSNIAIIWUJHPIR-GUBZILKMSA-N 1 1 189.274 1.844 10 0 ADAEMO C1=CC[N@@H+](Cc2ccc[nH]2)CC1 307208034 345892045 /nfs/dbraw/zinc/89/20/45/345892045.db2.gz IZIWITWRYOJIAE-UHFFFAOYSA-N 1 1 162.236 1.777 10 0 ADAEMO C[C@H]1CC[C@@H](NC2CCC2)C[NH2+]1 307209512 345892645 /nfs/dbraw/zinc/89/26/45/345892645.db2.gz LGBNTPUBHDTXNZ-WCBMZHEXSA-N 1 1 168.284 1.269 10 0 ADAEMO C[C@@H]1CC[C@@H](NC2CCC2)C[NH2+]1 307209501 345892662 /nfs/dbraw/zinc/89/26/62/345892662.db2.gz LGBNTPUBHDTXNZ-PSASIEDQSA-N 1 1 168.284 1.269 10 0 ADAEMO C[C@H]1CC[C@H](NC2CCC2)C[NH2+]1 307209514 345892823 /nfs/dbraw/zinc/89/28/23/345892823.db2.gz LGBNTPUBHDTXNZ-WPRPVWTQSA-N 1 1 168.284 1.269 10 0 ADAEMO C[C@@H]1CC[C@H](NC2CCC2)C[NH2+]1 307209502 345892949 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/nfs/dbraw/zinc/01/06/42/346010642.db2.gz NNRLTHLKBYIOBS-DJLDLDEBSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](N)C[C@H]1C 307388123 346010704 /nfs/dbraw/zinc/01/07/04/346010704.db2.gz NNRLTHLKBYIOBS-YIZRAAEISA-N 1 1 156.273 1.206 10 0 ADAEMO CC(C)C1([N@H+]2CCNC[C@@H]2C)CC1 307387997 346010842 /nfs/dbraw/zinc/01/08/42/346010842.db2.gz NLERJHPMXOMDSY-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)C1(N2CC[NH2+]C[C@@H]2C)CC1 307387997 346010845 /nfs/dbraw/zinc/01/08/45/346010845.db2.gz NLERJHPMXOMDSY-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](N)C[C@@H]1C 307388020 346010903 /nfs/dbraw/zinc/01/09/03/346010903.db2.gz NNRLTHLKBYIOBS-CIUDSAMLSA-N 1 1 156.273 1.206 10 0 ADAEMO C[C@H]1C[N@H+](C2CNC2)C(C)(C)C1 307392790 346012810 /nfs/dbraw/zinc/01/28/10/346012810.db2.gz ZVWLYAVUCFWOKL-MRVPVSSYSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1C[N@@H+](C2CNC2)C(C)(C)C1 307392790 346012814 /nfs/dbraw/zinc/01/28/14/346012814.db2.gz ZVWLYAVUCFWOKL-MRVPVSSYSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[N@H+]1CC[C@@]2(C1)NCCCS2 307392773 346012872 /nfs/dbraw/zinc/01/28/72/346012872.db2.gz ZSRWYGRETQEJBM-SECBINFHSA-N 1 1 186.324 1.135 10 0 ADAEMO CC[N@H+]1CC[C@]2(C1)NCCCS2 307392774 346013094 /nfs/dbraw/zinc/01/30/94/346013094.db2.gz ZSRWYGRETQEJBM-VIFPVBQESA-N 1 1 186.324 1.135 10 0 ADAEMO C[C@@H]1C[N@H+](C2CNC2)C(C)(C)C1 307392791 346013217 /nfs/dbraw/zinc/01/32/17/346013217.db2.gz ZVWLYAVUCFWOKL-QMMMGPOBSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1C[N@@H+](C2CNC2)C(C)(C)C1 307392791 346013219 /nfs/dbraw/zinc/01/32/19/346013219.db2.gz ZVWLYAVUCFWOKL-QMMMGPOBSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1CC[C@H]([NH2+]C2CCCC2)C[NH2+]1 307393175 346013394 /nfs/dbraw/zinc/01/33/94/346013394.db2.gz LTBXAQSPLMTSTJ-ONGXEEELSA-N 1 1 182.311 1.659 10 0 ADAEMO C[C@@H]1CC[C@H]([NH2+]C2CCCC2)C[NH2+]1 307393172 346013402 /nfs/dbraw/zinc/01/34/02/346013402.db2.gz LTBXAQSPLMTSTJ-KOLCDFICSA-N 1 1 182.311 1.659 10 0 ADAEMO C[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2CN)[C@@H]1C 307392932 346013427 /nfs/dbraw/zinc/01/34/27/346013427.db2.gz LKITWJLLXUYYEO-WYUUTHIRSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CCCC[C@H]2CN)C[C@H]1C 307392928 346013535 /nfs/dbraw/zinc/01/35/35/346013535.db2.gz LKITWJLLXUYYEO-RHYQMDGZSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@H]1CC[C@@H]([NH2+]C2CCCC2)C[NH2+]1 307393170 346013567 /nfs/dbraw/zinc/01/35/67/346013567.db2.gz LTBXAQSPLMTSTJ-GXSJLCMTSA-N 1 1 182.311 1.659 10 0 ADAEMO C[C@@H]1CC[C@@H]([NH2+]C2CCCC2)C[NH2+]1 307393173 346013673 /nfs/dbraw/zinc/01/36/73/346013673.db2.gz LTBXAQSPLMTSTJ-MWLCHTKSSA-N 1 1 182.311 1.659 10 0 ADAEMO C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2CN)[C@@H]1C 307392921 346013761 /nfs/dbraw/zinc/01/37/61/346013761.db2.gz LKITWJLLXUYYEO-KKOKHZNYSA-N 1 1 196.338 1.844 10 0 ADAEMO C[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)N)CC1 307393984 346014076 /nfs/dbraw/zinc/01/40/76/346014076.db2.gz CHKQEWGSMVBKON-HBNTYKKESA-N 1 1 184.327 1.892 10 0 ADAEMO c1nc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]32)c[nH]1 307393994 346014308 /nfs/dbraw/zinc/01/43/08/346014308.db2.gz CIOFFSFFTIBHLW-FKTZTGRPSA-N 1 1 177.251 1.298 10 0 ADAEMO Cc1cc(N2CC=CC2)c(C[NH3+])cn1 307396197 346015809 /nfs/dbraw/zinc/01/58/09/346015809.db2.gz QFMNUMMGSVIXAO-UHFFFAOYSA-N 1 1 189.262 1.225 10 0 ADAEMO C[C@]1(NC2C[NH2+]C2)CC=CCC1 307397361 346016156 /nfs/dbraw/zinc/01/61/56/346016156.db2.gz VKJNOXSFMFDHPV-JTQLQIEISA-N 1 1 166.268 1.047 10 0 ADAEMO Cc1cc(CN2CC=CC2)oc1C[NH3+] 307397515 346016180 /nfs/dbraw/zinc/01/61/80/346016180.db2.gz VYQQHIGVMUVWMX-UHFFFAOYSA-N 1 1 192.262 1.419 10 0 ADAEMO CC(C)[N@@H+](C)[C@H]1CCC[C@]1(C)O 307397168 346016287 /nfs/dbraw/zinc/01/62/87/346016287.db2.gz UTXZDKOJOVMMOD-UWVGGRQHSA-N 1 1 171.284 1.630 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1CCC[C@@]1(C)O 307397167 346016321 /nfs/dbraw/zinc/01/63/21/346016321.db2.gz UTXZDKOJOVMMOD-NXEZZACHSA-N 1 1 171.284 1.630 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H]1CCC[C@]1(C)O 307397170 346016348 /nfs/dbraw/zinc/01/63/48/346016348.db2.gz UTXZDKOJOVMMOD-ZJUUUORDSA-N 1 1 171.284 1.630 10 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CC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 307397638 346016909 /nfs/dbraw/zinc/01/69/09/346016909.db2.gz WIRKKCBISHQULR-JXUBOQSCSA-N 1 1 183.295 1.940 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 307397597 346017059 /nfs/dbraw/zinc/01/70/59/346017059.db2.gz WIRKKCBISHQULR-JLIMGVALSA-N 1 1 183.295 1.940 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@@H](N)[C@H]1C 307398626 346017614 /nfs/dbraw/zinc/01/76/14/346017614.db2.gz UGQUOHYYKAWEJS-GMTAPVOTSA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@]1(CO)CC[N@@H+](CC2CCCC2)C1 307399421 346017974 /nfs/dbraw/zinc/01/79/74/346017974.db2.gz WOPADISGLTXBPM-LBPRGKRZSA-N 1 1 197.322 1.881 10 0 ADAEMO C[C@@]1(CO)CC[N@@H+](CC2CCCC2)C1 307399420 346018063 /nfs/dbraw/zinc/01/80/63/346018063.db2.gz WOPADISGLTXBPM-GFCCVEGCSA-N 1 1 197.322 1.881 10 0 ADAEMO COCc1[nH+]c(C(C)(C)C)n(C)c1N 307401970 346019558 /nfs/dbraw/zinc/01/95/58/346019558.db2.gz AQWLWEIOEZXGIA-UHFFFAOYSA-N 1 1 197.282 1.446 10 0 ADAEMO Cc1c[nH]c(N2CCOCC2(C)C)[nH+]1 307401772 346019643 /nfs/dbraw/zinc/01/96/43/346019643.db2.gz JFQVRPWVINCUJU-UHFFFAOYSA-N 1 1 195.266 1.333 10 0 ADAEMO CCC1([N@H+]2CCNC[C@H]2C)CC1 307402408 346020172 /nfs/dbraw/zinc/02/01/72/346020172.db2.gz BZGMYLTWKCXESD-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO CCC1(N2CC[NH2+]C[C@H]2C)CC1 307402408 346020174 /nfs/dbraw/zinc/02/01/74/346020174.db2.gz BZGMYLTWKCXESD-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO CCC1([N@H+]2CCNC[C@@H]2C)CC1 307402413 346020314 /nfs/dbraw/zinc/02/03/14/346020314.db2.gz BZGMYLTWKCXESD-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CCC1(N2CC[NH2+]C[C@@H]2C)CC1 307402413 346020316 /nfs/dbraw/zinc/02/03/16/346020316.db2.gz BZGMYLTWKCXESD-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CC(=O)C[N@H+]1CCS[C@@H](C)CC1 307403453 346021320 /nfs/dbraw/zinc/02/13/20/346021320.db2.gz BQTVCQXOFYJNSY-VIFPVBQESA-N 1 1 187.308 1.403 10 0 ADAEMO CC(=O)C[N@H+]1CCS[C@H](C)CC1 307403452 346021356 /nfs/dbraw/zinc/02/13/56/346021356.db2.gz BQTVCQXOFYJNSY-SECBINFHSA-N 1 1 187.308 1.403 10 0 ADAEMO C[C@@H]1CNCCC[N@H+]1CC1CC1 307403476 346021428 /nfs/dbraw/zinc/02/14/28/346021428.db2.gz ATGSNQXAZFVTCH-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1C[NH2+]CCCN1CC1CC1 307403476 346021430 /nfs/dbraw/zinc/02/14/30/346021430.db2.gz ATGSNQXAZFVTCH-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]1CNCCC[N@H+]1CC1CC1 307403479 346021499 /nfs/dbraw/zinc/02/14/99/346021499.db2.gz ATGSNQXAZFVTCH-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]1C[NH2+]CCCN1CC1CC1 307403479 346021501 /nfs/dbraw/zinc/02/15/01/346021501.db2.gz ATGSNQXAZFVTCH-VIFPVBQESA-N 1 1 168.284 1.080 10 0 ADAEMO CC(C)n1ncnc1C[NH+]1CCCC1 307406813 346023535 /nfs/dbraw/zinc/02/35/35/346023535.db2.gz DQKVSNMHQSEYJO-UHFFFAOYSA-N 1 1 194.282 1.455 10 0 ADAEMO CCc1c[nH]c(N(C)CC)[nH+]1 307408401 346024763 /nfs/dbraw/zinc/02/47/63/346024763.db2.gz MFPFMDCDNNIYGJ-UHFFFAOYSA-N 1 1 153.229 1.428 10 0 ADAEMO [NH3+][C@@H](c1ccncc1)c1ccns1 307409234 346025295 /nfs/dbraw/zinc/02/52/95/346025295.db2.gz FNWQJLADCHKNRL-VIFPVBQESA-N 1 1 191.259 1.586 10 0 ADAEMO C[C@@H]1CC[N@@H+]([C@@H]2CCCN[C@@H]2C)C1 307409333 346025305 /nfs/dbraw/zinc/02/53/05/346025305.db2.gz FYLRWZCFYMMSSV-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CCCN[C@@H]2C)C1 307409333 346025307 /nfs/dbraw/zinc/02/53/07/346025307.db2.gz FYLRWZCFYMMSSV-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1NCCC[C@H]1[N@@H+]1CC[C@@H](C)C1 307409335 346025363 /nfs/dbraw/zinc/02/53/63/346025363.db2.gz FYLRWZCFYMMSSV-OUAUKWLOSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1NCCC[C@H]1[N@H+]1CC[C@@H](C)C1 307409335 346025366 /nfs/dbraw/zinc/02/53/66/346025366.db2.gz FYLRWZCFYMMSSV-OUAUKWLOSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1NCCC[C@@H]1[N@@H+]1CC[C@@H](C)C1 307409336 346025378 /nfs/dbraw/zinc/02/53/78/346025378.db2.gz FYLRWZCFYMMSSV-VWYCJHECSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1NCCC[C@@H]1[N@H+]1CC[C@@H](C)C1 307409336 346025380 /nfs/dbraw/zinc/02/53/80/346025380.db2.gz FYLRWZCFYMMSSV-VWYCJHECSA-N 1 1 182.311 1.469 10 0 ADAEMO [NH3+][C@H](c1ccncc1)c1ccns1 307409233 346025414 /nfs/dbraw/zinc/02/54/14/346025414.db2.gz FNWQJLADCHKNRL-SECBINFHSA-N 1 1 191.259 1.586 10 0 ADAEMO C[C@@H]1CC[N@@H+]([C@H]2CCCN[C@@H]2C)C1 307409334 346025444 /nfs/dbraw/zinc/02/54/44/346025444.db2.gz FYLRWZCFYMMSSV-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@H]2CCCN[C@@H]2C)C1 307409334 346025446 /nfs/dbraw/zinc/02/54/46/346025446.db2.gz FYLRWZCFYMMSSV-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CC[C@@H](C)[N@H+]1Cc1ncc[nH]1 307409134 346025533 /nfs/dbraw/zinc/02/55/33/346025533.db2.gz MVDXZNUFIZNKGD-DTORHVGOSA-N 1 1 179.267 1.783 10 0 ADAEMO Cc1cn(Cc2c[nH+]cn2C)cc1C 307409259 346025575 /nfs/dbraw/zinc/02/55/75/346025575.db2.gz FPWNXFLXJWNBNV-UHFFFAOYSA-N 1 1 189.262 1.887 10 0 ADAEMO CCNC(=[NH2+])c1ccc(O)cc1Cl 307415539 346029539 /nfs/dbraw/zinc/02/95/39/346029539.db2.gz KPYPRIIQZCFABL-UHFFFAOYSA-N 1 1 198.653 1.980 10 0 ADAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(C)(C)O 307416850 346029941 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197.307 1.357 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1c1cc[nH]n1 307449000 346047025 /nfs/dbraw/zinc/04/70/25/346047025.db2.gz QQOQJCDUQDTFKZ-SNVBAGLBSA-N 1 1 179.267 1.955 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1c1cc[nH]n1 307448999 346047200 /nfs/dbraw/zinc/04/72/00/346047200.db2.gz QQOQJCDUQDTFKZ-JTQLQIEISA-N 1 1 179.267 1.955 10 0 ADAEMO C[C@]1(c2ncc(C[NH3+])[nH]2)CCCS1 307450610 346047656 /nfs/dbraw/zinc/04/76/56/346047656.db2.gz QAXFKUISTDLEDC-SECBINFHSA-N 1 1 197.307 1.611 10 0 ADAEMO CC[C@H](C)N[C@@H]1C[NH2+][C@@H](C)C1 307451019 346048123 /nfs/dbraw/zinc/04/81/23/346048123.db2.gz PPEXOSMAYFICFM-CIUDSAMLSA-N 1 1 156.273 1.125 10 0 ADAEMO CC[C@H](C)N[C@H]1C[NH2+][C@@H](C)C1 307451021 346048143 /nfs/dbraw/zinc/04/81/43/346048143.db2.gz PPEXOSMAYFICFM-XHNCKOQMSA-N 1 1 156.273 1.125 10 0 ADAEMO CC[C@H](C)N[C@@H]1C[NH2+][C@H](C)C1 307451022 346048148 /nfs/dbraw/zinc/04/81/48/346048148.db2.gz PPEXOSMAYFICFM-YIZRAAEISA-N 1 1 156.273 1.125 10 0 ADAEMO CC[C@H](C)N[C@H]1C[NH2+][C@H](C)C1 307451020 346048226 /nfs/dbraw/zinc/04/82/26/346048226.db2.gz PPEXOSMAYFICFM-DJLDLDEBSA-N 1 1 156.273 1.125 10 0 ADAEMO C[C@@]1(c2ncc(C[NH3+])[nH]2)CCCS1 307450611 346048303 /nfs/dbraw/zinc/04/83/03/346048303.db2.gz QAXFKUISTDLEDC-VIFPVBQESA-N 1 1 197.307 1.611 10 0 ADAEMO C[C@H](N)C[N@H+](C)[C@@H]1CSC[C@H]1C 307453075 346049309 /nfs/dbraw/zinc/04/93/09/346049309.db2.gz ZBMLOCWBSNZUEN-HRDYMLBCSA-N 1 1 188.340 1.017 10 0 ADAEMO C[C@H]([NH3+])C[N@H+](C)[C@@H]1CSC[C@@H]1C 307453077 346049084 /nfs/dbraw/zinc/04/90/84/346049084.db2.gz ZBMLOCWBSNZUEN-XHNCKOQMSA-N 1 1 188.340 1.017 10 0 ADAEMO C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CSC[C@@H]1C 307453077 346049087 /nfs/dbraw/zinc/04/90/87/346049087.db2.gz ZBMLOCWBSNZUEN-XHNCKOQMSA-N 1 1 188.340 1.017 10 0 ADAEMO C[C@H](N)C[N@H+](C)[C@@H]1CSC[C@@H]1C 307453077 346049090 /nfs/dbraw/zinc/04/90/90/346049090.db2.gz ZBMLOCWBSNZUEN-XHNCKOQMSA-N 1 1 188.340 1.017 10 0 ADAEMO C[C@H](N)C[N@@H+](C)[C@@H]1CSC[C@@H]1C 307453077 346049093 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ZBMLOCWBSNZUEN-HRDYMLBCSA-N 1 1 188.340 1.017 10 0 ADAEMO Cc1[nH+]cc([C@H]2CCC(=O)[C@@H]2C)n1C 307453081 346049332 /nfs/dbraw/zinc/04/93/32/346049332.db2.gz ZCKFJTUDOCWIRZ-APPZFPTMSA-N 1 1 192.262 1.811 10 0 ADAEMO C[C@H]([NH3+])C[N@H+](C)[C@H]1CSC[C@H]1C 307453076 346049354 /nfs/dbraw/zinc/04/93/54/346049354.db2.gz ZBMLOCWBSNZUEN-VGMNWLOBSA-N 1 1 188.340 1.017 10 0 ADAEMO C[C@H]([NH3+])C[N@@H+](C)[C@H]1CSC[C@H]1C 307453076 346049356 /nfs/dbraw/zinc/04/93/56/346049356.db2.gz ZBMLOCWBSNZUEN-VGMNWLOBSA-N 1 1 188.340 1.017 10 0 ADAEMO C[C@H](N)C[N@@H+](C)[C@H]1CSC[C@H]1C 307453076 346049360 /nfs/dbraw/zinc/04/93/60/346049360.db2.gz ZBMLOCWBSNZUEN-VGMNWLOBSA-N 1 1 188.340 1.017 10 0 ADAEMO CC[C@H](C)[C@]1(C)COC(N)=[NH+]1 307453167 346049404 /nfs/dbraw/zinc/04/94/04/346049404.db2.gz ZRDDBIOQNVMDJU-XPUUQOCRSA-N 1 1 156.229 1.136 10 0 ADAEMO C[C@H]([NH3+])C[N@H+](C)[C@H]1CSC[C@@H]1C 307453074 346049411 /nfs/dbraw/zinc/04/94/11/346049411.db2.gz ZBMLOCWBSNZUEN-CIUDSAMLSA-N 1 1 188.340 1.017 10 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C[C@H](C1CC1)[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 307454033 346049694 /nfs/dbraw/zinc/04/96/94/346049694.db2.gz VQQKDVOFLPFISE-UMNHJUIQSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1C[C@H](C)[C@@](C)(CN)C1 307454033 346049695 /nfs/dbraw/zinc/04/96/95/346049695.db2.gz VQQKDVOFLPFISE-UMNHJUIQSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)C2CC2)C[C@@]1(C)C[NH3+] 307454030 346049739 /nfs/dbraw/zinc/04/97/39/346049739.db2.gz VQQKDVOFLPFISE-CKYFFXLPSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H](C)C2CC2)C[C@@]1(C)CN 307454030 346049742 /nfs/dbraw/zinc/04/97/42/346049742.db2.gz VQQKDVOFLPFISE-CKYFFXLPSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)C2CC2)C[C@@]1(C)CN 307454030 346049745 /nfs/dbraw/zinc/04/97/45/346049745.db2.gz VQQKDVOFLPFISE-CKYFFXLPSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)C2CC2)C[C@]1(C)C[NH3+] 307454031 346049791 /nfs/dbraw/zinc/04/97/91/346049791.db2.gz VQQKDVOFLPFISE-FOGDFJRCSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@H](C)C2CC2)C[C@]1(C)CN 307454031 346049793 /nfs/dbraw/zinc/04/97/93/346049793.db2.gz VQQKDVOFLPFISE-FOGDFJRCSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)C2CC2)C[C@]1(C)CN 307454031 346049796 /nfs/dbraw/zinc/04/97/96/346049796.db2.gz VQQKDVOFLPFISE-FOGDFJRCSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 307454032 346049822 /nfs/dbraw/zinc/04/98/22/346049822.db2.gz VQQKDVOFLPFISE-HOSYDEDBSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@H](C1CC1)[N@@H+]1C[C@H](C)[C@](C)(CN)C1 307454032 346049825 /nfs/dbraw/zinc/04/98/25/346049825.db2.gz VQQKDVOFLPFISE-HOSYDEDBSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1C[C@H](C)[C@](C)(CN)C1 307454032 346049828 /nfs/dbraw/zinc/04/98/28/346049828.db2.gz VQQKDVOFLPFISE-HOSYDEDBSA-N 1 1 196.338 1.702 10 0 ADAEMO C1C[C@H]2[C@H](C1)CC[N@H+]2C[C@H]1CCN1 307454318 346049906 /nfs/dbraw/zinc/04/99/06/346049906.db2.gz WFYWPCSMDOPHOF-MXWKQRLJSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@H]2[C@H](C1)CC[N@@H+]2C[C@H]1CCN1 307454318 346049910 /nfs/dbraw/zinc/04/99/10/346049910.db2.gz WFYWPCSMDOPHOF-MXWKQRLJSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@@H]2CC[N@@H+](C[C@H]3CCN3)[C@@H]2C1 307454317 346049990 /nfs/dbraw/zinc/04/99/90/346049990.db2.gz WFYWPCSMDOPHOF-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@@H]2CC[N@H+](C[C@H]3CCN3)[C@@H]2C1 307454317 346049992 /nfs/dbraw/zinc/04/99/92/346049992.db2.gz WFYWPCSMDOPHOF-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO [NH3+]CC(=O)c1csc2c1CCCC2 307453847 346050067 /nfs/dbraw/zinc/05/00/67/346050067.db2.gz VBXQRMUPBKWGKH-UHFFFAOYSA-N 1 1 195.287 1.768 10 0 ADAEMO C1C[C@H]2[C@H](C1)CC[N@H+]2C[C@@H]1CCN1 307454320 346050324 /nfs/dbraw/zinc/05/03/24/346050324.db2.gz WFYWPCSMDOPHOF-VWYCJHECSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@@H]2CC[N@@H+](C[C@@H]3CCN3)[C@@H]2C1 307454319 346050535 /nfs/dbraw/zinc/05/05/35/346050535.db2.gz WFYWPCSMDOPHOF-OUAUKWLOSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@@H]2CC[N@H+](C[C@@H]3CCN3)[C@@H]2C1 307454319 346050536 /nfs/dbraw/zinc/05/05/36/346050536.db2.gz WFYWPCSMDOPHOF-OUAUKWLOSA-N 1 1 180.295 1.223 10 0 ADAEMO CSC1CCN(c2[nH]cc[nH+]2)CC1 307457556 346052178 /nfs/dbraw/zinc/05/21/78/346052178.db2.gz ZMMHFXYUKAYIHC-UHFFFAOYSA-N 1 1 197.307 1.742 10 0 ADAEMO NC(=[NH2+])c1cccc(O)c1Cl 307457638 346052349 /nfs/dbraw/zinc/05/23/49/346052349.db2.gz ZPNUXDWCRRMYEG-UHFFFAOYSA-N 1 1 170.599 1.330 10 0 ADAEMO Cn1ccc(C[N@@H+]2CC=CCC2)c1 307458307 346052810 /nfs/dbraw/zinc/05/28/10/346052810.db2.gz AEEOYRBFSOOAJN-UHFFFAOYSA-N 1 1 176.263 1.787 10 0 ADAEMO CC(C)[C@@H](C)[NH2+][C@H]1CCCCNC1 307460844 346054347 /nfs/dbraw/zinc/05/43/47/346054347.db2.gz INTSEKFRJCMTIH-MNOVXSKESA-N 1 1 184.327 1.763 10 0 ADAEMO CC[C@@H](c1ccc[nH]1)[NH+]1CCOCC1 307461540 346054320 /nfs/dbraw/zinc/05/43/20/346054320.db2.gz JBQHXQAZAVKCSC-NSHDSACASA-N 1 1 194.278 1.798 10 0 ADAEMO CC1=NN([C@H](C)C(C)C)C(=O)C1[NH3+] 307461450 346054370 /nfs/dbraw/zinc/05/43/70/346054370.db2.gz HWDDJXXMNQMIRI-SSDOTTSWSA-N 1 1 183.255 1.696 10 0 ADAEMO CC(C)[C@H](C)[NH2+][C@@H]1CCCCNC1 307460847 346054386 /nfs/dbraw/zinc/05/43/86/346054386.db2.gz INTSEKFRJCMTIH-WDEREUQCSA-N 1 1 184.327 1.763 10 0 ADAEMO CC(C)[C@@H](C)[NH2+][C@@H]1CCCCNC1 307460843 346054406 /nfs/dbraw/zinc/05/44/06/346054406.db2.gz INTSEKFRJCMTIH-GHMZBOCLSA-N 1 1 184.327 1.763 10 0 ADAEMO CC1=NN([C@@H](C)C(C)C)C(=O)C1[NH3+] 307461452 346054411 /nfs/dbraw/zinc/05/44/11/346054411.db2.gz HWDDJXXMNQMIRI-ZETCQYMHSA-N 1 1 183.255 1.696 10 0 ADAEMO CC(C)[C@H](C)[NH2+][C@H]1CCCCNC1 307460846 346054498 /nfs/dbraw/zinc/05/44/98/346054498.db2.gz INTSEKFRJCMTIH-QWRGUYRKSA-N 1 1 184.327 1.763 10 0 ADAEMO Cc1[nH+]cc([C@](C)(O)CC2CC2)n1C 307462098 346055104 /nfs/dbraw/zinc/05/51/04/346055104.db2.gz GDSPJDXVBFPBPW-LLVKDONJSA-N 1 1 194.278 1.736 10 0 ADAEMO Cc1[nH+]cc([C@@](C)(O)CC2CC2)n1C 307462104 346055119 /nfs/dbraw/zinc/05/51/19/346055119.db2.gz GDSPJDXVBFPBPW-NSHDSACASA-N 1 1 194.278 1.736 10 0 ADAEMO CC1(C)C[N@H+](C2CCCC2)C[C@H]1N 307463197 346055390 /nfs/dbraw/zinc/05/53/90/346055390.db2.gz FJJADVUQJRJYMW-SNVBAGLBSA-N 1 1 182.311 1.598 10 0 ADAEMO C/C=C/CNc1ccc(N)[nH+]c1 307463110 346055405 /nfs/dbraw/zinc/05/54/05/346055405.db2.gz GLYUCVNOUFADRV-NSCUHMNNSA-N 1 1 163.224 1.652 10 0 ADAEMO C[C@@H]1OCCN(c2[nH]cc[nH+]2)[C@H]1C 307463133 346055444 /nfs/dbraw/zinc/05/54/44/346055444.db2.gz GQJWSRPQMASEIP-YUMQZZPRSA-N 1 1 181.239 1.023 10 0 ADAEMO C[C@H]1OCCN(c2[nH]cc[nH+]2)[C@@H]1C 307463130 346055467 /nfs/dbraw/zinc/05/54/67/346055467.db2.gz GQJWSRPQMASEIP-HTQZYQBOSA-N 1 1 181.239 1.023 10 0 ADAEMO CC1(C)C[N@H+](C2CCCC2)C[C@@H]1N 307463196 346055564 /nfs/dbraw/zinc/05/55/64/346055564.db2.gz FJJADVUQJRJYMW-JTQLQIEISA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@@H](C)OCCN1c1[nH]cc[nH+]1 307463131 346055591 /nfs/dbraw/zinc/05/55/91/346055591.db2.gz GQJWSRPQMASEIP-JGVFFNPUSA-N 1 1 181.239 1.023 10 0 ADAEMO C[C@@H]1OCCN(c2[nH]cc[nH+]2)[C@@H]1C 307463132 346055599 /nfs/dbraw/zinc/05/55/99/346055599.db2.gz GQJWSRPQMASEIP-SFYZADRCSA-N 1 1 181.239 1.023 10 0 ADAEMO CC1(c2[nH+]cn(N)c2N)CCCC1 307462730 346055668 /nfs/dbraw/zinc/05/56/68/346055668.db2.gz FCCMWBDMDXOPTD-UHFFFAOYSA-N 1 1 180.255 1.011 10 0 ADAEMO CC(C)=C(C)c1nc(C[NH3+])no1 307463774 346056189 /nfs/dbraw/zinc/05/61/89/346056189.db2.gz GSBNMSPIJVYEMY-UHFFFAOYSA-N 1 1 167.212 1.342 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1CN(C)C[C@@H]1C 307465841 346056974 /nfs/dbraw/zinc/05/69/74/346056974.db2.gz JQUZGKNPZJEADG-VHSXEESVSA-N 1 1 170.300 1.278 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)CN)[C@H](C)[C@@H]1C 307465174 346057118 /nfs/dbraw/zinc/05/71/18/346057118.db2.gz JDHNVWPFIPTQNH-ZYUZMQFOSA-N 1 1 170.300 1.310 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)CN)[C@H](C)[C@H]1C 307465164 346057132 /nfs/dbraw/zinc/05/71/32/346057132.db2.gz JDHNVWPFIPTQNH-DOLQZWNJSA-N 1 1 170.300 1.310 10 0 ADAEMO CCC[N@@H+](C)[C@H]1CN(C)C[C@@H]1C 307465839 346057138 /nfs/dbraw/zinc/05/71/38/346057138.db2.gz JQUZGKNPZJEADG-UWVGGRQHSA-N 1 1 170.300 1.278 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)CN)[C@@H](C)[C@H]1C 307465167 346057151 /nfs/dbraw/zinc/05/71/51/346057151.db2.gz JDHNVWPFIPTQNH-IMSYWVGJSA-N 1 1 170.300 1.310 10 0 ADAEMO CCC[N@@H+](C)[C@@H]1CN(C)C[C@H]1C 307465837 346057187 /nfs/dbraw/zinc/05/71/87/346057187.db2.gz JQUZGKNPZJEADG-NXEZZACHSA-N 1 1 170.300 1.278 10 0 ADAEMO CCC[N@@H+](C)[C@H]1CN(C)C[C@H]1C 307465843 346057201 /nfs/dbraw/zinc/05/72/01/346057201.db2.gz JQUZGKNPZJEADG-ZJUUUORDSA-N 1 1 170.300 1.278 10 0 ADAEMO Cc1c[nH]c(N2CCC(C)CC2)[nH+]1 307465708 346057212 /nfs/dbraw/zinc/05/72/12/346057212.db2.gz DJKIQPQWHIKIBR-UHFFFAOYSA-N 1 1 179.267 1.954 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)CN)[C@@H](C)[C@@H]1C 307465171 346057287 /nfs/dbraw/zinc/05/72/87/346057287.db2.gz JDHNVWPFIPTQNH-KYXWUPHJSA-N 1 1 170.300 1.310 10 0 ADAEMO CC1(C)CCCN1c1[nH]cc[nH+]1 307465489 346057331 /nfs/dbraw/zinc/05/73/31/346057331.db2.gz DDYMKJHGHXKTQF-UHFFFAOYSA-N 1 1 165.240 1.789 10 0 ADAEMO CC1(C)C[N@@H+](CCCF)CCO1 307466141 346057692 /nfs/dbraw/zinc/05/76/92/346057692.db2.gz ANVDBFOLSOGLHU-UHFFFAOYSA-N 1 1 175.247 1.457 10 0 ADAEMO C[C@H]1CC(C)(C)[N@@H+]1Cc1ncc[nH]1 307467923 346058078 /nfs/dbraw/zinc/05/80/78/346058078.db2.gz LRFSNVMYODEOTA-QMMMGPOBSA-N 1 1 179.267 1.783 10 0 ADAEMO C[C@H]1CC(C)(C)[N@H+]1Cc1ncc[nH]1 307467923 346058082 /nfs/dbraw/zinc/05/80/82/346058082.db2.gz LRFSNVMYODEOTA-QMMMGPOBSA-N 1 1 179.267 1.783 10 0 ADAEMO C[C@@H]1CC(C)(C)[N@@H+]1Cc1ncc[nH]1 307467922 346058320 /nfs/dbraw/zinc/05/83/20/346058320.db2.gz LRFSNVMYODEOTA-MRVPVSSYSA-N 1 1 179.267 1.783 10 0 ADAEMO C[C@@H]1CC(C)(C)[N@H+]1Cc1ncc[nH]1 307467922 346058321 /nfs/dbraw/zinc/05/83/21/346058321.db2.gz LRFSNVMYODEOTA-MRVPVSSYSA-N 1 1 179.267 1.783 10 0 ADAEMO CCC[N@H+]1CCOCC2(CC2)C1 307467883 346058387 /nfs/dbraw/zinc/05/83/87/346058387.db2.gz LMJFBDRHOQVQIL-UHFFFAOYSA-N 1 1 169.268 1.509 10 0 ADAEMO Cc1c[nH]c(N(C)CC(C)C)[nH+]1 307467825 346058403 /nfs/dbraw/zinc/05/84/03/346058403.db2.gz QFTILRNTSGIILV-UHFFFAOYSA-N 1 1 167.256 1.810 10 0 ADAEMO C[C@H]1[C@H](C)CC[N@H+]1CC1(C)C[NH2+]C1 307468768 346058609 /nfs/dbraw/zinc/05/86/09/346058609.db2.gz NFKLPHIJLSGSEV-ZJUUUORDSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2(C)C[NH2+]C2)[C@@H]1C 307468767 346058633 /nfs/dbraw/zinc/05/86/33/346058633.db2.gz NFKLPHIJLSGSEV-VHSXEESVSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@H]1CC[N@@H+](CC2(C)C[NH2+]C2)[C@H]1C 307468766 346058727 /nfs/dbraw/zinc/05/87/27/346058727.db2.gz NFKLPHIJLSGSEV-UWVGGRQHSA-N 1 1 182.311 1.326 10 0 ADAEMO CC[N@H+]1CCCC[C@H](F)C1 307468658 346058790 /nfs/dbraw/zinc/05/87/90/346058790.db2.gz MLZYEYVMRMXZTB-QMMMGPOBSA-N 1 1 145.221 1.830 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2(C)C[NH2+]C2)[C@@H]1C 307468765 346058856 /nfs/dbraw/zinc/05/88/56/346058856.db2.gz NFKLPHIJLSGSEV-NXEZZACHSA-N 1 1 182.311 1.326 10 0 ADAEMO CC[N@H+]1CC[C@H](n2cc[nH]c2=S)C1 307469477 346059325 /nfs/dbraw/zinc/05/93/25/346059325.db2.gz UABHHFNUSYWLOK-QMMMGPOBSA-N 1 1 197.307 1.439 10 0 ADAEMO CC[N@H+]1CC[C@@H](n2cc[nH]c2=S)C1 307469476 346059354 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/nfs/dbraw/zinc/07/60/78/346076078.db2.gz GXUHTZWCPMYSOZ-JTQLQIEISA-N 1 1 182.311 1.470 10 0 ADAEMO CCC1([N@H+]2CCN[C@@H](C)C2)CC1 307501380 346077307 /nfs/dbraw/zinc/07/73/07/346077307.db2.gz IJHKXPKGZHOZLG-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CCC1(N2CC[NH2+][C@@H](C)C2)CC1 307501380 346077309 /nfs/dbraw/zinc/07/73/09/346077309.db2.gz IJHKXPKGZHOZLG-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO CCC1([N@H+]2CCN[C@H](C)C2)CC1 307501377 346077492 /nfs/dbraw/zinc/07/74/92/346077492.db2.gz IJHKXPKGZHOZLG-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO CCC1(N2CC[NH2+][C@H](C)C2)CC1 307501377 346077493 /nfs/dbraw/zinc/07/74/93/346077493.db2.gz IJHKXPKGZHOZLG-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@H](C)C[N@H+]1C[C@@H](O)C2(CC2)C1 307502626 346077712 /nfs/dbraw/zinc/07/77/12/346077712.db2.gz VQVJSLLAOAFWBB-VHSXEESVSA-N 1 1 183.295 1.489 10 0 ADAEMO CC1(C)C[NH2+]CC[C@H]1N1CC=CC1 307504326 346078788 /nfs/dbraw/zinc/07/87/88/346078788.db2.gz KDDBWTNAMBGINU-SNVBAGLBSA-N 1 1 180.295 1.246 10 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CGMRTLPKRJBPSE-VXNVDRBHSA-N 1 1 183.251 1.223 10 0 ADAEMO C[C@H]1C[C@H]([NH2+]C2CCCC2)C(=O)O1 307511607 346083097 /nfs/dbraw/zinc/08/30/97/346083097.db2.gz CGMRTLPKRJBPSE-CBAPKCEASA-N 1 1 183.251 1.223 10 0 ADAEMO C[C@@H]1C[C@H]([NH2+]C2CCCC2)C(=O)O1 307511604 346083128 /nfs/dbraw/zinc/08/31/28/346083128.db2.gz CGMRTLPKRJBPSE-APPZFPTMSA-N 1 1 183.251 1.223 10 0 ADAEMO CC(C)(N)C[NH2+]C1CC=CC1 307511825 346083419 /nfs/dbraw/zinc/08/34/19/346083419.db2.gz DPCTXVPQVRLSMG-UHFFFAOYSA-N 1 1 154.257 1.032 10 0 ADAEMO C[C@H]1CN(c2[nH]cc[nH+]2)[C@H](C)CO1 307512026 346083432 /nfs/dbraw/zinc/08/34/32/346083432.db2.gz PHZIPJSPDSDDKP-SFYZADRCSA-N 1 1 181.239 1.023 10 0 ADAEMO C[C@@H]1CN(c2[nH]cc[nH+]2)[C@H](C)CO1 307512021 346083462 /nfs/dbraw/zinc/08/34/62/346083462.db2.gz PHZIPJSPDSDDKP-HTQZYQBOSA-N 1 1 181.239 1.023 10 0 ADAEMO CSC[C@H](C)[N@@H+](C)CCF 307512553 346083499 /nfs/dbraw/zinc/08/34/99/346083499.db2.gz MPGRTFBUHXFCOL-ZETCQYMHSA-N 1 1 165.277 1.639 10 0 ADAEMO CSC[C@@H](C)[N@@H+](C)CCF 307512552 346083529 /nfs/dbraw/zinc/08/35/29/346083529.db2.gz MPGRTFBUHXFCOL-SSDOTTSWSA-N 1 1 165.277 1.639 10 0 ADAEMO C[C@H]1CO[C@H](C)CN1c1[nH]cc[nH+]1 307512024 346083675 /nfs/dbraw/zinc/08/36/75/346083675.db2.gz PHZIPJSPDSDDKP-JGVFFNPUSA-N 1 1 181.239 1.023 10 0 ADAEMO C[C@H]([C@H]1CC1(C)C)[N@H+]1CC[C@H](N)C1 307513202 346083865 /nfs/dbraw/zinc/08/38/65/346083865.db2.gz YQYHMTCHLVSKRI-KXUCPTDWSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H]([C@H]1CC1(C)C)[N@H+]1CC[C@@H](N)C1 307513208 346084062 /nfs/dbraw/zinc/08/40/62/346084062.db2.gz YQYHMTCHLVSKRI-OPRDCNLKSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H]([C@@H]1CC1(C)C)[N@H+]1CC[C@H](N)C1 307513215 346084119 /nfs/dbraw/zinc/08/41/19/346084119.db2.gz YQYHMTCHLVSKRI-UTLUCORTSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H]([C@@H]1CC1(C)C)[N@H+]1CC[C@@H](N)C1 307513196 346084265 /nfs/dbraw/zinc/08/42/65/346084265.db2.gz YQYHMTCHLVSKRI-BBBLOLIVSA-N 1 1 182.311 1.454 10 0 ADAEMO C[C@H]1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 307515410 346085613 /nfs/dbraw/zinc/08/56/13/346085613.db2.gz SBCAYHWMZPIHBR-IVZWLZJFSA-N 1 1 169.268 1.242 10 0 ADAEMO C[C@H]1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 307515414 346085897 /nfs/dbraw/zinc/08/58/97/346085897.db2.gz SBCAYHWMZPIHBR-LPEHRKFASA-N 1 1 169.268 1.242 10 0 ADAEMO CCC[N@H+]1CCc2nc(C)[nH]c2C1 307517458 346086804 /nfs/dbraw/zinc/08/68/04/346086804.db2.gz JKJCESYTKKGCAF-UHFFFAOYSA-N 1 1 179.267 1.486 10 0 ADAEMO C[C@@H](C[NH3+])c1nc2c([nH]1)[C@H](C)OC2 307519063 346087712 /nfs/dbraw/zinc/08/77/12/346087712.db2.gz MCDCITZPMZLLMS-WDSKDSINSA-N 1 1 181.239 1.063 10 0 ADAEMO C[C@H](C[NH3+])c1nc2c([nH]1)[C@@H](C)OC2 307519060 346087721 /nfs/dbraw/zinc/08/77/21/346087721.db2.gz MCDCITZPMZLLMS-PHDIDXHHSA-N 1 1 181.239 1.063 10 0 ADAEMO C[C@@H](C[NH3+])c1nc2c([nH]1)[C@@H](C)OC2 307519058 346087770 /nfs/dbraw/zinc/08/77/70/346087770.db2.gz MCDCITZPMZLLMS-NTSWFWBYSA-N 1 1 181.239 1.063 10 0 ADAEMO C[C@@H]1OCc2nc([C@H](C)C[NH3+])[nH]c21 307519061 346087877 /nfs/dbraw/zinc/08/78/77/346087877.db2.gz MCDCITZPMZLLMS-RITPCOANSA-N 1 1 181.239 1.063 10 0 ADAEMO C[N@@H+](Cc1ccc[nH]1)C1CC1 307519956 346088243 /nfs/dbraw/zinc/08/82/43/346088243.db2.gz WYCMCBSDIMOQPQ-UHFFFAOYSA-N 1 1 150.225 1.609 10 0 ADAEMO C[C@@H]1COCC[N@H+]1[C@@H]1CCC[C@@]1(C)O 307519774 346088338 /nfs/dbraw/zinc/08/83/38/346088338.db2.gz OOOLEDYKLOSOEH-GMTAPVOTSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1COCC[N@H+]1[C@H]1CCC[C@@]1(C)O 307519776 346088355 /nfs/dbraw/zinc/08/83/55/346088355.db2.gz OOOLEDYKLOSOEH-OUAUKWLOSA-N 1 1 199.294 1.011 10 0 ADAEMO C[C@@H]1COCC[N@H+]1[C@H]1CCC[C@]1(C)O 307519778 346088567 /nfs/dbraw/zinc/08/85/67/346088567.db2.gz OOOLEDYKLOSOEH-VWYCJHECSA-N 1 1 199.294 1.011 10 0 ADAEMO CC1(C)SC[C@H]1[NH+]1CCC(=O)CC1 307520525 346088715 /nfs/dbraw/zinc/08/87/15/346088715.db2.gz XUHAKDMAIAZREC-SECBINFHSA-N 1 1 199.319 1.545 10 0 ADAEMO CC1(C)SC[C@@H]1[NH+]1CCC(=O)CC1 307520526 346088763 /nfs/dbraw/zinc/08/87/63/346088763.db2.gz XUHAKDMAIAZREC-VIFPVBQESA-N 1 1 199.319 1.545 10 0 ADAEMO CC[C@H](C)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 307521627 346089650 /nfs/dbraw/zinc/08/96/50/346089650.db2.gz WAQBPYBKSYSZFO-AXFHLTTASA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H](C)N1CC[C@@H]2[NH2+]CC[C@H]2C1 307521629 346089589 /nfs/dbraw/zinc/08/95/89/346089589.db2.gz WAQBPYBKSYSZFO-DCAQKATOSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H](C)N1CC[C@H]2[NH2+]CC[C@H]2C1 307521631 346089623 /nfs/dbraw/zinc/08/96/23/346089623.db2.gz WAQBPYBKSYSZFO-GARJFASQSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@H](C)N1CC[C@H]2[NH2+]CC[C@@H]2C1 307521633 346089695 /nfs/dbraw/zinc/08/96/95/346089695.db2.gz WAQBPYBKSYSZFO-HBNTYKKESA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)=C[C@@H]([NH3+])CN1CCCC1 307523333 346090346 /nfs/dbraw/zinc/09/03/46/346090346.db2.gz DCEJRQQHADSQRE-SNVBAGLBSA-N 1 1 168.284 1.376 10 0 ADAEMO C[N@H+]1CCC[C@@H](NCCF)CC1 307523267 346090393 /nfs/dbraw/zinc/09/03/93/346090393.db2.gz CYULTSOKGCIPRP-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO C[N@H+]1CCC[C@H](NCCF)CC1 307523269 346090430 /nfs/dbraw/zinc/09/04/30/346090430.db2.gz CYULTSOKGCIPRP-VIFPVBQESA-N 1 1 174.263 1.030 10 0 ADAEMO CC(C)=C[C@H]([NH3+])CN1CCCC1 307523331 346090540 /nfs/dbraw/zinc/09/05/40/346090540.db2.gz DCEJRQQHADSQRE-JTQLQIEISA-N 1 1 168.284 1.376 10 0 ADAEMO [NH3+][C@H](CN1CCCC1)C1=CCCCC1 307531291 346094667 /nfs/dbraw/zinc/09/46/67/346094667.db2.gz ULFSOXUNRDIVSD-GFCCVEGCSA-N 1 1 194.322 1.910 10 0 ADAEMO COc1c(C)c[nH+]cc1O 307531218 346094887 /nfs/dbraw/zinc/09/48/87/346094887.db2.gz UAFWSFRAJDNENE-UHFFFAOYSA-N 1 1 139.154 1.104 10 0 ADAEMO [NH3+][C@@H](CN1CCCC1)C1=CCCCC1 307531292 346094696 /nfs/dbraw/zinc/09/46/96/346094696.db2.gz ULFSOXUNRDIVSD-LBPRGKRZSA-N 1 1 194.322 1.910 10 0 ADAEMO CC[NH+](CC)[C@@H]1[C@@H](C)CCN[C@@H]1C 307531677 346095294 /nfs/dbraw/zinc/09/52/94/346095294.db2.gz WFFAQFHLQVXYSD-HBNTYKKESA-N 1 1 184.327 1.715 10 0 ADAEMO CC[NH+](CC)[C@@H]1[C@H](C)CCN[C@@H]1C 307531676 346095314 /nfs/dbraw/zinc/09/53/14/346095314.db2.gz WFFAQFHLQVXYSD-GMTAPVOTSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[NH+](CC)[C@@H]1[C@@H](C)CCN[C@H]1C 307531675 346095483 /nfs/dbraw/zinc/09/54/83/346095483.db2.gz WFFAQFHLQVXYSD-GARJFASQSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[NH+](CC)[C@H]1[C@H](C)NCC[C@H]1C 307531678 346095512 /nfs/dbraw/zinc/09/55/12/346095512.db2.gz WFFAQFHLQVXYSD-OUAUKWLOSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1ccno1 307533333 346096072 /nfs/dbraw/zinc/09/60/72/346096072.db2.gz HENRQZFKOIPCJT-OCAPTIKFSA-N 1 1 166.224 1.657 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+]1CC[C@@](C)(CN)C1 307533935 346096389 /nfs/dbraw/zinc/09/63/89/346096389.db2.gz BCIORVLMDGBEDQ-MNOVXSKESA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CC[C@@](C)(CN)C1 307533935 346096391 /nfs/dbraw/zinc/09/63/91/346096391.db2.gz BCIORVLMDGBEDQ-MNOVXSKESA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@H](C)[N@@H+]1CC[C@@](C)(CN)C1 307533946 346096429 /nfs/dbraw/zinc/09/64/29/346096429.db2.gz BCIORVLMDGBEDQ-QWRGUYRKSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CC[C@@](C)(CN)C1 307533946 346096432 /nfs/dbraw/zinc/09/64/32/346096432.db2.gz BCIORVLMDGBEDQ-QWRGUYRKSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+]1CC[C@](C)(CN)C1 307533926 346096457 /nfs/dbraw/zinc/09/64/57/346096457.db2.gz BCIORVLMDGBEDQ-GHMZBOCLSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1CC[C@](C)(CN)C1 307533926 346096460 /nfs/dbraw/zinc/09/64/60/346096460.db2.gz BCIORVLMDGBEDQ-GHMZBOCLSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1CC[C@](C)(CN)C1 307533957 346096577 /nfs/dbraw/zinc/09/65/77/346096577.db2.gz BCIORVLMDGBEDQ-WDEREUQCSA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)[C@H](C)[N@@H+]1CC[C@](C)(CN)C1 307533957 346096575 /nfs/dbraw/zinc/09/65/75/346096575.db2.gz BCIORVLMDGBEDQ-WDEREUQCSA-N 1 1 184.327 1.702 10 0 ADAEMO C[C@H]1CNCC[N@H+]1[C@H]1C[C@@H]2C[C@@H]2C1 307533509 346096661 /nfs/dbraw/zinc/09/66/61/346096661.db2.gz ICTHBMQYZDNKHQ-MMWGEVLESA-N 1 1 180.295 1.079 10 0 ADAEMO C[C@H]1C[NH2+]CCN1[C@H]1C[C@@H]2C[C@@H]2C1 307533509 346096662 /nfs/dbraw/zinc/09/66/62/346096662.db2.gz ICTHBMQYZDNKHQ-MMWGEVLESA-N 1 1 180.295 1.079 10 0 ADAEMO Cc1ncc([C@H]2[NH2+]CCS2)s1 307534403 346096972 /nfs/dbraw/zinc/09/69/72/346096972.db2.gz AZFIFYIKHQYJFJ-ZETCQYMHSA-N 1 1 186.305 1.787 10 0 ADAEMO Cc1ncc([C@@H]2[NH2+]CCS2)s1 307534402 346097012 /nfs/dbraw/zinc/09/70/12/346097012.db2.gz AZFIFYIKHQYJFJ-SSDOTTSWSA-N 1 1 186.305 1.787 10 0 ADAEMO Cc1nc(C[NH2+][C@H]2CC[C@H]2C)c[nH]1 307534925 346097462 /nfs/dbraw/zinc/09/74/62/346097462.db2.gz JPFNLIOCUGTCFN-XCBNKYQSSA-N 1 1 179.267 1.606 10 0 ADAEMO Cc1nc(C[NH2+][C@H]2CC[C@@H]2C)c[nH]1 307534926 346097471 /nfs/dbraw/zinc/09/74/71/346097471.db2.gz JPFNLIOCUGTCFN-XVKPBYJWSA-N 1 1 179.267 1.606 10 0 ADAEMO Cc1nc(C[NH2+][C@@H]2CC[C@@H]2C)c[nH]1 307534924 346097481 /nfs/dbraw/zinc/09/74/81/346097481.db2.gz JPFNLIOCUGTCFN-OIBJUYFYSA-N 1 1 179.267 1.606 10 0 ADAEMO Cc1c[nH]c(N(C)C[C@H]2CCCO2)[nH+]1 307535825 346097543 /nfs/dbraw/zinc/09/75/43/346097543.db2.gz RURFVCXUTQQDAO-SECBINFHSA-N 1 1 195.266 1.333 10 0 ADAEMO Cc1c[nH]c(N(C)C[C@@H]2CCCO2)[nH+]1 307535826 346097572 /nfs/dbraw/zinc/09/75/72/346097572.db2.gz RURFVCXUTQQDAO-VIFPVBQESA-N 1 1 195.266 1.333 10 0 ADAEMO C[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)O)C1 307535711 346097619 /nfs/dbraw/zinc/09/76/19/346097619.db2.gz IEIIXBWGSPXYGR-UWVGGRQHSA-N 1 1 185.311 1.878 10 0 ADAEMO Cc1nc(C[NH2+][C@@H]2CC[C@H]2C)c[nH]1 307534923 346097659 /nfs/dbraw/zinc/09/76/59/346097659.db2.gz JPFNLIOCUGTCFN-GMSGAONNSA-N 1 1 179.267 1.606 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H](C)[C@H](C)N)C(C)(C)C1 307536701 346098523 /nfs/dbraw/zinc/09/85/23/346098523.db2.gz QARXEYYTRAKQJU-GUBZILKMSA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H](C)[C@H](C)N)C(C)(C)C1 307536704 346098747 /nfs/dbraw/zinc/09/87/47/346098747.db2.gz QARXEYYTRAKQJU-LPEHRKFASA-N 1 1 184.327 1.843 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H](C)[C@@H](C)N)C(C)(C)C1 307536700 346098755 /nfs/dbraw/zinc/09/87/55/346098755.db2.gz QARXEYYTRAKQJU-AEJSXWLSSA-N 1 1 184.327 1.843 10 0 ADAEMO 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/nfs/dbraw/zinc/35/92/24/346359224.db2.gz QKZJPZPDPUELRZ-GFCCVEGCSA-N 1 1 195.306 1.944 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ncccn2)[C@@H]1C 334661843 346359709 /nfs/dbraw/zinc/35/97/09/346359709.db2.gz YKPLTIBOEZWWPV-VHSXEESVSA-N 1 1 191.278 1.707 10 0 ADAEMO C[C@H]1CC[N@@H+](Cc2ncccn2)[C@H]1C 334661841 346359754 /nfs/dbraw/zinc/35/97/54/346359754.db2.gz YKPLTIBOEZWWPV-UWVGGRQHSA-N 1 1 191.278 1.707 10 0 ADAEMO C[C@H]1[C@H](C)CC[N@H+]1Cc1ncccn1 334661844 346359923 /nfs/dbraw/zinc/35/99/23/346359923.db2.gz YKPLTIBOEZWWPV-ZJUUUORDSA-N 1 1 191.278 1.707 10 0 ADAEMO CC(C)[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 334678641 346360272 /nfs/dbraw/zinc/36/02/72/346360272.db2.gz JAOVVOICOWNKNV-SECBINFHSA-N 1 1 194.282 1.283 10 0 ADAEMO CC(C)[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 334678641 346360273 /nfs/dbraw/zinc/36/02/73/346360273.db2.gz JAOVVOICOWNKNV-SECBINFHSA-N 1 1 194.282 1.283 10 0 ADAEMO CC(C)[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 334678641 346360276 /nfs/dbraw/zinc/36/02/76/346360276.db2.gz JAOVVOICOWNKNV-SECBINFHSA-N 1 1 194.282 1.283 10 0 ADAEMO CC(C)[C@@H]1CC[N@H+](Cc2cn[nH]n2)C1 334678641 346360279 /nfs/dbraw/zinc/36/02/79/346360279.db2.gz JAOVVOICOWNKNV-SECBINFHSA-N 1 1 194.282 1.283 10 0 ADAEMO CC(C)[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 334678641 346360281 /nfs/dbraw/zinc/36/02/81/346360281.db2.gz JAOVVOICOWNKNV-SECBINFHSA-N 1 1 194.282 1.283 10 0 ADAEMO C[C@H](O)CC[N@H+]1CCCC2(CC2)C1 334675223 346360637 /nfs/dbraw/zinc/36/06/37/346360637.db2.gz ISMBTWGXYRYMBQ-JTQLQIEISA-N 1 1 183.295 1.633 10 0 ADAEMO CC(C)[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 334678642 346360650 /nfs/dbraw/zinc/36/06/50/346360650.db2.gz JAOVVOICOWNKNV-VIFPVBQESA-N 1 1 194.282 1.283 10 0 ADAEMO CC(C)[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 334678642 346360653 /nfs/dbraw/zinc/36/06/53/346360653.db2.gz JAOVVOICOWNKNV-VIFPVBQESA-N 1 1 194.282 1.283 10 0 ADAEMO CC(C)[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 334678642 346360655 /nfs/dbraw/zinc/36/06/55/346360655.db2.gz JAOVVOICOWNKNV-VIFPVBQESA-N 1 1 194.282 1.283 10 0 ADAEMO CC(C)[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 334678642 346360660 /nfs/dbraw/zinc/36/06/60/346360660.db2.gz JAOVVOICOWNKNV-VIFPVBQESA-N 1 1 194.282 1.283 10 0 ADAEMO CC(C)[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 334678642 346360663 /nfs/dbraw/zinc/36/06/63/346360663.db2.gz JAOVVOICOWNKNV-VIFPVBQESA-N 1 1 194.282 1.283 10 0 ADAEMO Cc1cccc(N2CC(C)(CO)C2)[nH+]1 334682537 346360782 /nfs/dbraw/zinc/36/07/82/346360782.db2.gz FLBJRNHWFOEVER-UHFFFAOYSA-N 1 1 192.262 1.209 10 0 ADAEMO CCn1nncc1C[NH+]1[C@H](C)C[C@H]1C 334723907 346361653 /nfs/dbraw/zinc/36/16/53/346361653.db2.gz ZDRIJELCCCHGGS-RKDXNWHRSA-N 1 1 194.282 1.281 10 0 ADAEMO CCn1nncc1C[NH+]1[C@@H](C)C[C@@H]1C 334723906 346361709 /nfs/dbraw/zinc/36/17/09/346361709.db2.gz ZDRIJELCCCHGGS-IUCAKERBSA-N 1 1 194.282 1.281 10 0 ADAEMO CCn1nncc1C[N@@H+]1[C@@H](C)C[C@H]1C 334723904 346361789 /nfs/dbraw/zinc/36/17/89/346361789.db2.gz ZDRIJELCCCHGGS-DTORHVGOSA-N 1 1 194.282 1.281 10 0 ADAEMO CCn1nncc1C[N@H+]1[C@@H](C)C[C@H]1C 334723904 346361791 /nfs/dbraw/zinc/36/17/91/346361791.db2.gz ZDRIJELCCCHGGS-DTORHVGOSA-N 1 1 194.282 1.281 10 0 ADAEMO Cc1cnc(C[NH+]2CCCC2)nc1 334736894 346362171 /nfs/dbraw/zinc/36/21/71/346362171.db2.gz UNKDSENABKZFTB-UHFFFAOYSA-N 1 1 177.251 1.381 10 0 ADAEMO Cc1c(C[N@H+]2[C@@H](C)C[C@H]2C)cnn1C 334778345 346364186 /nfs/dbraw/zinc/36/41/86/346364186.db2.gz XOQTVXYRIOOZRW-DTORHVGOSA-N 1 1 193.294 1.711 10 0 ADAEMO CCC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 334795276 346364645 /nfs/dbraw/zinc/36/46/45/346364645.db2.gz FJASKFKUMSOTAC-GHMZBOCLSA-N 1 1 195.306 1.897 10 0 ADAEMO CCn1nncc1C[N@H+]1CC[C@H](C)C1 334794069 346364713 /nfs/dbraw/zinc/36/47/13/346364713.db2.gz UQCLQVBHDOSEDG-VIFPVBQESA-N 1 1 194.282 1.140 10 0 ADAEMO CCC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 334795279 346364722 /nfs/dbraw/zinc/36/47/22/346364722.db2.gz FJASKFKUMSOTAC-WDEREUQCSA-N 1 1 195.306 1.897 10 0 ADAEMO CCC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 334795278 346364748 /nfs/dbraw/zinc/36/47/48/346364748.db2.gz FJASKFKUMSOTAC-QWRGUYRKSA-N 1 1 195.306 1.897 10 0 ADAEMO CCn1nncc1C[N@H+]1CC[C@@H](C)C1 334794062 346364841 /nfs/dbraw/zinc/36/48/41/346364841.db2.gz UQCLQVBHDOSEDG-SECBINFHSA-N 1 1 194.282 1.140 10 0 ADAEMO CC(C)[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 334797528 346364867 /nfs/dbraw/zinc/36/48/67/346364867.db2.gz SNYFAEAEDQHJNL-MNOVXSKESA-N 1 1 195.306 1.896 10 0 ADAEMO CC(C)[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 334797526 346364922 /nfs/dbraw/zinc/36/49/22/346364922.db2.gz SNYFAEAEDQHJNL-GHMZBOCLSA-N 1 1 195.306 1.896 10 0 ADAEMO CC(C)[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 334797531 346365058 /nfs/dbraw/zinc/36/50/58/346365058.db2.gz SNYFAEAEDQHJNL-WDEREUQCSA-N 1 1 195.306 1.896 10 0 ADAEMO CC(C)[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 334797530 346365078 /nfs/dbraw/zinc/36/50/78/346365078.db2.gz SNYFAEAEDQHJNL-QWRGUYRKSA-N 1 1 195.306 1.896 10 0 ADAEMO CCC1(C)C[NH+](Cc2cncnc2)C1 334789013 346365111 /nfs/dbraw/zinc/36/51/11/346365111.db2.gz OVNUDMCEXBTOIC-UHFFFAOYSA-N 1 1 191.278 1.709 10 0 ADAEMO CCC[N@H+]1CCC[C@]2(CCOC2)C1 334818816 346365508 /nfs/dbraw/zinc/36/55/08/346365508.db2.gz FXBXCVQYPQCDFC-NSHDSACASA-N 1 1 183.295 1.899 10 0 ADAEMO CCC[N@H+]1CCC[C@@]2(CCOC2)C1 334818814 346365793 /nfs/dbraw/zinc/36/57/93/346365793.db2.gz FXBXCVQYPQCDFC-LLVKDONJSA-N 1 1 183.295 1.899 10 0 ADAEMO Cc1nnc([C@@H](C)[NH+]2CCCC2)[nH]1 334804497 346365808 /nfs/dbraw/zinc/36/58/08/346365808.db2.gz BCHDIBFBFNYMIG-SSDOTTSWSA-N 1 1 180.255 1.270 10 0 ADAEMO CC(C)[C@@H]1CC[N@@H+]1Cc1nccn1C 334886065 346368765 /nfs/dbraw/zinc/36/87/65/346368765.db2.gz XWNIERJWOJFRTP-JTQLQIEISA-N 1 1 193.294 1.650 10 0 ADAEMO CC(C)[C@@H]1CC[N@H+]1Cc1nccn1C 334886065 346368766 /nfs/dbraw/zinc/36/87/66/346368766.db2.gz XWNIERJWOJFRTP-JTQLQIEISA-N 1 1 193.294 1.650 10 0 ADAEMO CC(C)[C@H]1CC[N@@H+]1Cc1nccn1C 334886069 346368978 /nfs/dbraw/zinc/36/89/78/346368978.db2.gz XWNIERJWOJFRTP-SNVBAGLBSA-N 1 1 193.294 1.650 10 0 ADAEMO CC(C)[C@H]1CC[N@H+]1Cc1nccn1C 334886069 346368981 /nfs/dbraw/zinc/36/89/81/346368981.db2.gz XWNIERJWOJFRTP-SNVBAGLBSA-N 1 1 193.294 1.650 10 0 ADAEMO Cc1cc(C[NH+]2CC(C)C2)n(C)n1 334926469 346370072 /nfs/dbraw/zinc/37/00/72/346370072.db2.gz RWPSHJGAGJLVGT-UHFFFAOYSA-N 1 1 179.267 1.180 10 0 ADAEMO Cc1cc(C[N@H+]2[C@@H](C)C[C@H]2C)ncn1 334914949 346370098 /nfs/dbraw/zinc/37/00/98/346370098.db2.gz DJIBPFZUMNKLLJ-AOOOYVTPSA-N 1 1 191.278 1.768 10 0 ADAEMO CC1(F)CC([NH2+][C@@H]2CCC[C@H]2N)C1 335004733 346373566 /nfs/dbraw/zinc/37/35/66/346373566.db2.gz DLFWNOROVXJUQG-DSAQSWLYSA-N 1 1 186.274 1.346 10 0 ADAEMO CCn1cncc1C[N@H+]1[C@@H](C)C[C@H]1C 334947083 346370751 /nfs/dbraw/zinc/37/07/51/346370751.db2.gz DQQAMONMPSCEPH-AOOOYVTPSA-N 1 1 193.294 1.886 10 0 ADAEMO Cc1cc[nH+]c(N[C@H]2C[C@@](C)(O)C2)c1 334953740 346371347 /nfs/dbraw/zinc/37/13/47/346371347.db2.gz FDWJJMOWDPKHDE-JGZJWPJOSA-N 1 1 192.262 1.715 10 0 ADAEMO Cc1cccc(N[C@H]2C[C@@](C)(O)C2)[nH+]1 334954463 346371412 /nfs/dbraw/zinc/37/14/12/346371412.db2.gz HCNRUYPRTOKJLO-JGZJWPJOSA-N 1 1 192.262 1.715 10 0 ADAEMO CC[C@H](C)[N@H+]1CCNC[C@@](C)(F)C1 334975574 346372939 /nfs/dbraw/zinc/37/29/39/346372939.db2.gz YRCQELNATHLBMQ-VHSXEESVSA-N 1 1 188.290 1.418 10 0 ADAEMO CC[C@H](C)N1CC[NH2+]C[C@@](C)(F)C1 334975574 346372941 /nfs/dbraw/zinc/37/29/41/346372941.db2.gz YRCQELNATHLBMQ-VHSXEESVSA-N 1 1 188.290 1.418 10 0 ADAEMO CC[C@H](C)[N@H+]1CCNC[C@](C)(F)C1 334975573 346372951 /nfs/dbraw/zinc/37/29/51/346372951.db2.gz YRCQELNATHLBMQ-UWVGGRQHSA-N 1 1 188.290 1.418 10 0 ADAEMO CC[C@H](C)N1CC[NH2+]C[C@](C)(F)C1 334975573 346372952 /nfs/dbraw/zinc/37/29/52/346372952.db2.gz YRCQELNATHLBMQ-UWVGGRQHSA-N 1 1 188.290 1.418 10 0 ADAEMO Cc1c(Cl)c(C[NH2+]C2CC2)nn1C 334984922 346372960 /nfs/dbraw/zinc/37/29/60/346372960.db2.gz KWAALJQYALNEJJ-UHFFFAOYSA-N 1 1 199.685 1.634 10 0 ADAEMO CC1(F)CC([NH2+][C@@H]2CCC[C@@H]2N)C1 335004732 346373366 /nfs/dbraw/zinc/37/33/66/346373366.db2.gz DLFWNOROVXJUQG-APTHBXDWSA-N 1 1 186.274 1.346 10 0 ADAEMO CC1(F)CC(N[C@@H]2CCC[C@@H]2[NH3+])C1 335004732 346373370 /nfs/dbraw/zinc/37/33/70/346373370.db2.gz DLFWNOROVXJUQG-APTHBXDWSA-N 1 1 186.274 1.346 10 0 ADAEMO CCCC[N@H+]1CCNC[C@@](C)(F)C1 334998507 346373505 /nfs/dbraw/zinc/37/35/05/346373505.db2.gz RRXSUELKNAOKGV-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO CCCCN1CC[NH2+]C[C@@](C)(F)C1 334998507 346373506 /nfs/dbraw/zinc/37/35/06/346373506.db2.gz RRXSUELKNAOKGV-SNVBAGLBSA-N 1 1 188.290 1.420 10 0 ADAEMO CC(C)[N@H+]1CCNC[C@](C)(F)C1 334998197 346373515 /nfs/dbraw/zinc/37/35/15/346373515.db2.gz MBOGFYMTQGSPOM-VIFPVBQESA-N 1 1 174.263 1.028 10 0 ADAEMO CC(C)N1CC[NH2+]C[C@](C)(F)C1 334998197 346373518 /nfs/dbraw/zinc/37/35/18/346373518.db2.gz MBOGFYMTQGSPOM-VIFPVBQESA-N 1 1 174.263 1.028 10 0 ADAEMO CCC[N@H+]1CCNC[C@@](C)(F)C1 334998986 346373537 /nfs/dbraw/zinc/37/35/37/346373537.db2.gz YKZKXLYVTDWSLL-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO CCCN1CC[NH2+]C[C@@](C)(F)C1 334998986 346373540 /nfs/dbraw/zinc/37/35/40/346373540.db2.gz YKZKXLYVTDWSLL-SECBINFHSA-N 1 1 174.263 1.030 10 0 ADAEMO CC1(F)CC(N[C@@H]2CCC[C@H]2[NH3+])C1 335004733 346373568 /nfs/dbraw/zinc/37/35/68/346373568.db2.gz DLFWNOROVXJUQG-DSAQSWLYSA-N 1 1 186.274 1.346 10 0 ADAEMO CCCC[N@H+]1CCNC[C@](C)(F)C1 334998505 346373701 /nfs/dbraw/zinc/37/37/01/346373701.db2.gz RRXSUELKNAOKGV-JTQLQIEISA-N 1 1 188.290 1.420 10 0 ADAEMO CCCCN1CC[NH2+]C[C@](C)(F)C1 334998505 346373703 /nfs/dbraw/zinc/37/37/03/346373703.db2.gz RRXSUELKNAOKGV-JTQLQIEISA-N 1 1 188.290 1.420 10 0 ADAEMO CC1(F)CC([NH2+][C@H]2CCC[C@@H]2N)C1 335004735 346373797 /nfs/dbraw/zinc/37/37/97/346373797.db2.gz DLFWNOROVXJUQG-ZNHWEVIXSA-N 1 1 186.274 1.346 10 0 ADAEMO CC1(F)CC(N[C@H]2CCC[C@@H]2[NH3+])C1 335004735 346373800 /nfs/dbraw/zinc/37/38/00/346373800.db2.gz DLFWNOROVXJUQG-ZNHWEVIXSA-N 1 1 186.274 1.346 10 0 ADAEMO CC1(F)CC([NH2+][C@H]2CCC[C@H]2N)C1 335004734 346373871 /nfs/dbraw/zinc/37/38/71/346373871.db2.gz DLFWNOROVXJUQG-MXAZLMSGSA-N 1 1 186.274 1.346 10 0 ADAEMO CC1(F)CC(N[C@H]2CCC[C@H]2[NH3+])C1 335004734 346373875 /nfs/dbraw/zinc/37/38/75/346373875.db2.gz DLFWNOROVXJUQG-MXAZLMSGSA-N 1 1 186.274 1.346 10 0 ADAEMO CC1=CCC[N@H+]([C@H]2CCOC2)C1 335023112 346374246 /nfs/dbraw/zinc/37/42/46/346374246.db2.gz NFRGNZJBJZZKJB-JTQLQIEISA-N 1 1 167.252 1.427 10 0 ADAEMO CC1=CCC[N@@H+](C[C@H]2COCCO2)C1 335023097 346374272 /nfs/dbraw/zinc/37/42/72/346374272.db2.gz CAZMRNHBBHQMKO-NSHDSACASA-N 1 1 197.278 1.054 10 0 ADAEMO CC1=CCC[N@H+]([C@@H]2CCOC2)C1 335023113 346374357 /nfs/dbraw/zinc/37/43/57/346374357.db2.gz NFRGNZJBJZZKJB-SNVBAGLBSA-N 1 1 167.252 1.427 10 0 ADAEMO CC1=CCC[N@@H+](CC2(O)CCC2)C1 335023130 346374400 /nfs/dbraw/zinc/37/44/00/346374400.db2.gz UFLFYHOAZSUGCS-UHFFFAOYSA-N 1 1 181.279 1.553 10 0 ADAEMO CC1=CCC[N@@H+](CC(C)(C)O)C1 335023131 346374657 /nfs/dbraw/zinc/37/46/57/346374657.db2.gz VHZGUKBYBRJPTJ-UHFFFAOYSA-N 1 1 169.268 1.409 10 0 ADAEMO CC1=CCC[N@@H+](Cc2nccn2C)C1 335023102 346374666 /nfs/dbraw/zinc/37/46/66/346374666.db2.gz FGJCZSGMDMMPQH-UHFFFAOYSA-N 1 1 191.278 1.572 10 0 ADAEMO CC1=CCC[N@H+](Cc2nccn2C)C1 335023102 346374669 /nfs/dbraw/zinc/37/46/69/346374669.db2.gz FGJCZSGMDMMPQH-UHFFFAOYSA-N 1 1 191.278 1.572 10 0 ADAEMO CC1=CCC[N@@H+](C[C@@H]2COCCO2)C1 335023096 346374679 /nfs/dbraw/zinc/37/46/79/346374679.db2.gz CAZMRNHBBHQMKO-LLVKDONJSA-N 1 1 197.278 1.054 10 0 ADAEMO CC1CC([NH2+][C@H]2CCC[C@@H]2N)C1 335031237 346375079 /nfs/dbraw/zinc/37/50/79/346375079.db2.gz GLUUSOSPQZOSBK-QLEHZGMVSA-N 1 1 168.284 1.254 10 0 ADAEMO CC1(C[NH2+][C@H]2CCC[C@@H]2N)CC1 335031207 346375224 /nfs/dbraw/zinc/37/52/24/346375224.db2.gz FIHGOVDFLMRBGS-IUCAKERBSA-N 1 1 168.284 1.256 10 0 ADAEMO CC1(C[NH2+][C@H]2CCC[C@H]2N)CC1 335031205 346375263 /nfs/dbraw/zinc/37/52/63/346375263.db2.gz FIHGOVDFLMRBGS-BDAKNGLRSA-N 1 1 168.284 1.256 10 0 ADAEMO CC1CC([NH2+][C@@H]2CCC[C@@H]2N)C1 335031236 346375378 /nfs/dbraw/zinc/37/53/78/346375378.db2.gz GLUUSOSPQZOSBK-HORUIINNSA-N 1 1 168.284 1.254 10 0 ADAEMO CC1(C[NH2+][C@H]2CCC[C@@H]2N)CCC1 335034868 346375485 /nfs/dbraw/zinc/37/54/85/346375485.db2.gz ZUMFMRIJOAPOHE-UWVGGRQHSA-N 1 1 182.311 1.646 10 0 ADAEMO CC1CC([NH2+][C@H]2CCC[C@H]2N)C1 335031235 346375524 /nfs/dbraw/zinc/37/55/24/346375524.db2.gz GLUUSOSPQZOSBK-BMNUFHGDSA-N 1 1 168.284 1.254 10 0 ADAEMO CC1(C[NH2+][C@@H]2CCC[C@@H]2N)CC1 335031206 346375540 /nfs/dbraw/zinc/37/55/40/346375540.db2.gz FIHGOVDFLMRBGS-DTWKUNHWSA-N 1 1 168.284 1.256 10 0 ADAEMO CC1(C[NH2+][C@H]2CCC[C@H]2N)CCC1 335034870 346375546 /nfs/dbraw/zinc/37/55/46/346375546.db2.gz ZUMFMRIJOAPOHE-ZJUUUORDSA-N 1 1 182.311 1.646 10 0 ADAEMO CC1CC([NH2+][C@@H]2CCC[C@H]2N)C1 335031238 346375550 /nfs/dbraw/zinc/37/55/50/346375550.db2.gz GLUUSOSPQZOSBK-YDYPAMBWSA-N 1 1 168.284 1.254 10 0 ADAEMO CC1(C[NH2+][C@@H]2CCC[C@H]2N)CCC1 335034867 346375637 /nfs/dbraw/zinc/37/56/37/346375637.db2.gz ZUMFMRIJOAPOHE-NXEZZACHSA-N 1 1 182.311 1.646 10 0 ADAEMO CC1=CCC[N@@H+](Cc2ccn(C)n2)C1 335025085 346375642 /nfs/dbraw/zinc/37/56/42/346375642.db2.gz FMFNFOCSNSNOCZ-UHFFFAOYSA-N 1 1 191.278 1.572 10 0 ADAEMO CC1=CCC[N@H+](Cc2ccn(C)n2)C1 335025085 346375643 /nfs/dbraw/zinc/37/56/43/346375643.db2.gz FMFNFOCSNSNOCZ-UHFFFAOYSA-N 1 1 191.278 1.572 10 0 ADAEMO CC1(C[NH2+][C@@H]2CCC[C@H]2N)CC1 335031208 346375657 /nfs/dbraw/zinc/37/56/57/346375657.db2.gz FIHGOVDFLMRBGS-RKDXNWHRSA-N 1 1 168.284 1.256 10 0 ADAEMO C[C@H]([NH2+][C@H]1CCCCNC1)C1CC1 335060272 346376946 /nfs/dbraw/zinc/37/69/46/346376946.db2.gz DJIRUIZRBVXMCP-ONGXEEELSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H]([NH2+][C@@H]1CCCCNC1)C1CC1 335060269 346377016 /nfs/dbraw/zinc/37/70/16/346377016.db2.gz DJIRUIZRBVXMCP-GXSJLCMTSA-N 1 1 182.311 1.517 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 335086953 346377522 /nfs/dbraw/zinc/37/75/22/346377522.db2.gz IUNDAEFNPDWMBU-MRVPVSSYSA-N 1 1 180.255 1.002 10 0 ADAEMO CCC[N@H+]1CC[C@H](c2nnc[nH]2)C1 335086956 346377531 /nfs/dbraw/zinc/37/75/31/346377531.db2.gz IWNXRMRIIXFGOT-QMMMGPOBSA-N 1 1 180.255 1.004 10 0 ADAEMO CCC[N@H+]1CCC[C@H](n2ccnn2)C1 335093020 346377596 /nfs/dbraw/zinc/37/75/96/346377596.db2.gz FEVPNCXJKLRPLZ-JTQLQIEISA-N 1 1 194.282 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/nfs/dbraw/zinc/46/55/07/346465507.db2.gz DVALWGITEYDTRE-NSHDSACASA-N 1 1 194.278 1.246 10 0 ADAEMO CCC(C)(C)NC(=O)[C@H]1CC[N@@H+](C)C1 336506692 346468078 /nfs/dbraw/zinc/46/80/78/346468078.db2.gz BMBCYCXMRBKVDX-VIFPVBQESA-N 1 1 198.310 1.243 10 0 ADAEMO CCC(C)(C)NC(=O)[C@@H]1CC[N@@H+](C)C1 336506687 346468172 /nfs/dbraw/zinc/46/81/72/346468172.db2.gz BMBCYCXMRBKVDX-SECBINFHSA-N 1 1 198.310 1.243 10 0 ADAEMO CNC(=O)CC[N@H+]1C[C@H](C)CC[C@@H]1C 336496243 346468158 /nfs/dbraw/zinc/46/81/58/346468158.db2.gz FHXBSGITKRZOQQ-ZJUUUORDSA-N 1 1 198.310 1.243 10 0 ADAEMO CNC(=O)CC[N@H+]1C[C@@H](C)CC[C@H]1C 336496242 346468319 /nfs/dbraw/zinc/46/83/19/346468319.db2.gz FHXBSGITKRZOQQ-VHSXEESVSA-N 1 1 198.310 1.243 10 0 ADAEMO CNC(=O)CC[N@H+]1C[C@@H](C)CC[C@@H]1C 336496240 346468344 /nfs/dbraw/zinc/46/83/44/346468344.db2.gz FHXBSGITKRZOQQ-UWVGGRQHSA-N 1 1 198.310 1.243 10 0 ADAEMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]1C 336535312 346469832 /nfs/dbraw/zinc/46/98/32/346469832.db2.gz XYIRUMYMTHNBOH-ZJUUUORDSA-N 1 1 198.310 1.193 10 0 ADAEMO CCCC[N@H+]1CCO[C@]2(CCOC2)C1 336533391 346469745 /nfs/dbraw/zinc/46/97/45/346469745.db2.gz WNYKFTXNSZFOEK-LLVKDONJSA-N 1 1 199.294 1.278 10 0 ADAEMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]1C 336535305 346469876 /nfs/dbraw/zinc/46/98/76/346469876.db2.gz XYIRUMYMTHNBOH-NXEZZACHSA-N 1 1 198.310 1.193 10 0 ADAEMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]1C 336535310 346469994 /nfs/dbraw/zinc/46/99/94/346469994.db2.gz XYIRUMYMTHNBOH-VHSXEESVSA-N 1 1 198.310 1.193 10 0 ADAEMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H]1C 336535308 346470036 /nfs/dbraw/zinc/47/00/36/346470036.db2.gz XYIRUMYMTHNBOH-UWVGGRQHSA-N 1 1 198.310 1.193 10 0 ADAEMO CC(C)[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 336552296 346470338 /nfs/dbraw/zinc/47/03/38/346470338.db2.gz YLCQMOFBGHGUMF-WDEREUQCSA-N 1 1 183.295 1.753 10 0 ADAEMO CC(C)[C@H]1CC[N@H+]([C@H]2CCOC2)C1 336552295 346470472 /nfs/dbraw/zinc/47/04/72/346470472.db2.gz YLCQMOFBGHGUMF-QWRGUYRKSA-N 1 1 183.295 1.753 10 0 ADAEMO Cc1cc(C[N@@H+](C)C(C)C)no1 336552361 346470787 /nfs/dbraw/zinc/47/07/87/346470787.db2.gz OQQCTYMBDULPIV-UHFFFAOYSA-N 1 1 168.240 1.823 10 0 ADAEMO Cc1cc(C[N@H+](C)C(C)C)no1 336552361 346470792 /nfs/dbraw/zinc/47/07/92/346470792.db2.gz OQQCTYMBDULPIV-UHFFFAOYSA-N 1 1 168.240 1.823 10 0 ADAEMO CC(C)[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 336552294 346470981 /nfs/dbraw/zinc/47/09/81/346470981.db2.gz YLCQMOFBGHGUMF-MNOVXSKESA-N 1 1 183.295 1.753 10 0 ADAEMO CC(C)[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 336552293 346471050 /nfs/dbraw/zinc/47/10/50/346471050.db2.gz YLCQMOFBGHGUMF-GHMZBOCLSA-N 1 1 183.295 1.753 10 0 ADAEMO CC1=CC[N@H+]([C@H]2CCOC2)CC1 336552714 346471236 /nfs/dbraw/zinc/47/12/36/346471236.db2.gz JGEWQAZWRLAYNX-JTQLQIEISA-N 1 1 167.252 1.427 10 0 ADAEMO CC1=CC[N@@H+](CC(C)(C)O)CC1 336552778 346471664 /nfs/dbraw/zinc/47/16/64/346471664.db2.gz UHGVCDRRPAVPCR-UHFFFAOYSA-N 1 1 169.268 1.409 10 0 ADAEMO CC1=CC[N@H+]([C@@H]2CCOC2)CC1 336552715 346471699 /nfs/dbraw/zinc/47/16/99/346471699.db2.gz JGEWQAZWRLAYNX-SNVBAGLBSA-N 1 1 167.252 1.427 10 0 ADAEMO CC[C@]1(C)CC[N@H+]([C@@H]2CCOC2)C1 336553707 346472174 /nfs/dbraw/zinc/47/21/74/346472174.db2.gz ZQOHCZMRVPCZQM-GHMZBOCLSA-N 1 1 183.295 1.897 10 0 ADAEMO CC[C@@]1(C)CC[N@H+]([C@H]2CCOC2)C1 336553709 346472277 /nfs/dbraw/zinc/47/22/77/346472277.db2.gz ZQOHCZMRVPCZQM-QWRGUYRKSA-N 1 1 183.295 1.897 10 0 ADAEMO CC[C@@]1(C)CC[N@H+]([C@@H]2CCOC2)C1 336553708 346472326 /nfs/dbraw/zinc/47/23/26/346472326.db2.gz ZQOHCZMRVPCZQM-MNOVXSKESA-N 1 1 183.295 1.897 10 0 ADAEMO CC(C)[N@@H+](C)Cc1cc[nH]n1 336553453 346472379 /nfs/dbraw/zinc/47/23/79/346472379.db2.gz YJFDUOYYHNSNCB-UHFFFAOYSA-N 1 1 153.229 1.250 10 0 ADAEMO CC[C@]1(C)CC[N@H+]([C@H]2CCOC2)C1 336553710 346472465 /nfs/dbraw/zinc/47/24/65/346472465.db2.gz ZQOHCZMRVPCZQM-WDEREUQCSA-N 1 1 183.295 1.897 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC2(O)CCC2)CCO1 336554109 346473029 /nfs/dbraw/zinc/47/30/29/346473029.db2.gz UNNRRJSFYIDYFK-SNVBAGLBSA-N 1 1 199.294 1.012 10 0 ADAEMO C[N@H+](Cc1cc[nH]n1)[C@H]1CCCOC1 336554266 346473043 /nfs/dbraw/zinc/47/30/43/346473043.db2.gz LTRHRYBBLJWTBB-JTQLQIEISA-N 1 1 195.266 1.021 10 0 ADAEMO C[N@@H+](Cc1cc[nH]n1)[C@H]1CCCOC1 336554266 346473046 /nfs/dbraw/zinc/47/30/46/346473046.db2.gz LTRHRYBBLJWTBB-JTQLQIEISA-N 1 1 195.266 1.021 10 0 ADAEMO CC[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 336553940 346473070 /nfs/dbraw/zinc/47/30/70/346473070.db2.gz JRSCDWIVYURJMS-SNVBAGLBSA-N 1 1 196.294 1.139 10 0 ADAEMO CC1=CC[N@H+]([C@@H]2CCCC[C@@H]2O)CC1 336554082 346473078 /nfs/dbraw/zinc/47/30/78/346473078.db2.gz NYPOQFKLUDVPJX-NEPJUHHUSA-N 1 1 195.306 1.942 10 0 ADAEMO C[N@H+](Cc1cc[nH]n1)[C@@H]1CCCOC1 336554267 346473098 /nfs/dbraw/zinc/47/30/98/346473098.db2.gz LTRHRYBBLJWTBB-SNVBAGLBSA-N 1 1 195.266 1.021 10 0 ADAEMO C[N@@H+](Cc1cc[nH]n1)[C@@H]1CCCOC1 336554267 346473102 /nfs/dbraw/zinc/47/31/02/346473102.db2.gz LTRHRYBBLJWTBB-SNVBAGLBSA-N 1 1 195.266 1.021 10 0 ADAEMO CC[C@H]1C[N@@H+](CC2(O)CCC2)CCO1 336554108 346473175 /nfs/dbraw/zinc/47/31/75/346473175.db2.gz UNNRRJSFYIDYFK-JTQLQIEISA-N 1 1 199.294 1.012 10 0 ADAEMO C[C@H]1CCC[N@H+]1[C@H]1CCOC1 336553765 346473247 /nfs/dbraw/zinc/47/32/47/346473247.db2.gz OZRVEVGWDVTZMV-IUCAKERBSA-N 1 1 155.241 1.260 10 0 ADAEMO C[C@H]1CC[N@H+]([C@H]2CCOC2)C1 336553752 346473296 /nfs/dbraw/zinc/47/32/96/346473296.db2.gz MWIDAMMIQZNSFL-IUCAKERBSA-N 1 1 155.241 1.117 10 0 ADAEMO C[N@@H+](Cc1cnccn1)C1CCCC1 336554000 346473329 /nfs/dbraw/zinc/47/33/29/346473329.db2.gz ZPTAYXAHVACZAN-UHFFFAOYSA-N 1 1 191.278 1.851 10 0 ADAEMO CC1=CC[N@H+]([C@H]2CCCC[C@@H]2O)CC1 336554084 346473392 /nfs/dbraw/zinc/47/33/92/346473392.db2.gz NYPOQFKLUDVPJX-RYUDHWBXSA-N 1 1 195.306 1.942 10 0 ADAEMO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)o1 336554033 346473406 /nfs/dbraw/zinc/47/34/06/346473406.db2.gz FHINWKNPCRUNIX-SFYZADRCSA-N 1 1 195.266 1.608 10 0 ADAEMO C[C@H]1CCC[N@H+]1[C@@H]1CCOC1 336553764 346473433 /nfs/dbraw/zinc/47/34/33/346473433.db2.gz OZRVEVGWDVTZMV-DTWKUNHWSA-N 1 1 155.241 1.260 10 0 ADAEMO Cc1nnc(C[N@@H+]2CC[C@@H](C)[C@H]2C)o1 336554031 346473459 /nfs/dbraw/zinc/47/34/59/346473459.db2.gz FHINWKNPCRUNIX-HTQZYQBOSA-N 1 1 195.266 1.608 10 0 ADAEMO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@H]2C)o1 336554032 346473479 /nfs/dbraw/zinc/47/34/79/346473479.db2.gz FHINWKNPCRUNIX-JGVFFNPUSA-N 1 1 195.266 1.608 10 0 ADAEMO C[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 336553751 346473490 /nfs/dbraw/zinc/47/34/90/346473490.db2.gz MWIDAMMIQZNSFL-DTWKUNHWSA-N 1 1 155.241 1.117 10 0 ADAEMO CC[C@H]1C(=O)NCC[N@H+]1C1CCCC1 336553939 346473501 /nfs/dbraw/zinc/47/35/01/346473501.db2.gz JRSCDWIVYURJMS-JTQLQIEISA-N 1 1 196.294 1.139 10 0 ADAEMO Cc1nnc(C[N@@H+]2CC[C@H](C)[C@@H]2C)o1 336554034 346473564 /nfs/dbraw/zinc/47/35/64/346473564.db2.gz FHINWKNPCRUNIX-YUMQZZPRSA-N 1 1 195.266 1.608 10 0 ADAEMO CCn1c(C)nnc1C[NH+]1CCCC1 336554756 346474119 /nfs/dbraw/zinc/47/41/19/346474119.db2.gz CAYRMDNTSXNQNV-UHFFFAOYSA-N 1 1 194.282 1.202 10 0 ADAEMO CC1=CC[N@@H+](C[C@@H]2CCCO2)CC1 336555148 346474129 /nfs/dbraw/zinc/47/41/29/346474129.db2.gz GRWQACXNQWNXSY-NSHDSACASA-N 1 1 181.279 1.817 10 0 ADAEMO CC1=CC[N@H+](Cc2nccn2C)CC1 336555594 346474161 /nfs/dbraw/zinc/47/41/61/346474161.db2.gz FWMDFJISZHTSIC-UHFFFAOYSA-N 1 1 191.278 1.572 10 0 ADAEMO CC1=CC[N@@H+](Cc2nccn2C)CC1 336555594 346474163 /nfs/dbraw/zinc/47/41/63/346474163.db2.gz FWMDFJISZHTSIC-UHFFFAOYSA-N 1 1 191.278 1.572 10 0 ADAEMO C[NH+](C)C1CCN(CC2CC2)CC1 336555137 346474327 /nfs/dbraw/zinc/47/43/27/346474327.db2.gz CFZRJZISAIUJPI-UHFFFAOYSA-N 1 1 182.311 1.422 10 0 ADAEMO CN(C)C1CC[NH+](CC2CC2)CC1 336555137 346474328 /nfs/dbraw/zinc/47/43/28/346474328.db2.gz CFZRJZISAIUJPI-UHFFFAOYSA-N 1 1 182.311 1.422 10 0 ADAEMO CC1(C)CCC[N@H+]1C[C@@H]1COCCO1 336555534 346474439 /nfs/dbraw/zinc/47/44/39/346474439.db2.gz YDVYAXMUFGJOJA-SNVBAGLBSA-N 1 1 199.294 1.276 10 0 ADAEMO Cc1nnc(C[N@H+]2CCCC2(C)C)o1 336554949 346474603 /nfs/dbraw/zinc/47/46/03/346474603.db2.gz MYDSQDMQBOLDJO-UHFFFAOYSA-N 1 1 195.266 1.752 10 0 ADAEMO Cc1noc(C[N@H+]2CCCC2(C)C)n1 336555526 346474592 /nfs/dbraw/zinc/47/45/92/346474592.db2.gz XNGVNZOIGRRILG-UHFFFAOYSA-N 1 1 195.266 1.752 10 0 ADAEMO CC1(C)CCC[N@H+]1CCn1cncn1 336556178 346474901 /nfs/dbraw/zinc/47/49/01/346474901.db2.gz VHQMJHKJKNMZKX-UHFFFAOYSA-N 1 1 194.282 1.153 10 0 ADAEMO Cc1cnc(C[N@@H+]2CCC[C@@H]2C)nc1 336556156 346474929 /nfs/dbraw/zinc/47/49/29/346474929.db2.gz QPLLVTQEJWHUQK-JTQLQIEISA-N 1 1 191.278 1.769 10 0 ADAEMO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](C)[C@H]1C 336563242 346475075 /nfs/dbraw/zinc/47/50/75/346475075.db2.gz QAXPXBSLPGCMKS-PSASIEDQSA-N 1 1 193.294 1.948 10 0 ADAEMO Cc1cn[nH]c1C[N@H+]1CC[C@@H](C)[C@H]1C 336563242 346475079 /nfs/dbraw/zinc/47/50/79/346475079.db2.gz QAXPXBSLPGCMKS-PSASIEDQSA-N 1 1 193.294 1.948 10 0 ADAEMO Cc1cn[nH]c1C[N@@H+]1CC[C@@H](C)[C@H]1C 336563242 346475081 /nfs/dbraw/zinc/47/50/81/346475081.db2.gz QAXPXBSLPGCMKS-PSASIEDQSA-N 1 1 193.294 1.948 10 0 ADAEMO Cc1nc(C[N@@H+]2CCCC2(C)C)no1 336556132 346475139 /nfs/dbraw/zinc/47/51/39/346475139.db2.gz KZPUGWLCVLFRQT-UHFFFAOYSA-N 1 1 195.266 1.752 10 0 ADAEMO Cc1nc(C[N@H+]2CCCC2(C)C)no1 336556132 346475141 /nfs/dbraw/zinc/47/51/41/346475141.db2.gz KZPUGWLCVLFRQT-UHFFFAOYSA-N 1 1 195.266 1.752 10 0 ADAEMO Cc1cnc(C[N@@H+]2CCC[C@H]2C)nc1 336556157 346475146 /nfs/dbraw/zinc/47/51/46/346475146.db2.gz QPLLVTQEJWHUQK-SNVBAGLBSA-N 1 1 191.278 1.769 10 0 ADAEMO Cc1c[nH]nc1C[N@@H+]1CC[C@H](C)[C@@H]1C 336563245 346475205 /nfs/dbraw/zinc/47/52/05/346475205.db2.gz QAXPXBSLPGCMKS-WPRPVWTQSA-N 1 1 193.294 1.948 10 0 ADAEMO Cc1cn[nH]c1C[N@H+]1CC[C@H](C)[C@@H]1C 336563245 346475210 /nfs/dbraw/zinc/47/52/10/346475210.db2.gz QAXPXBSLPGCMKS-WPRPVWTQSA-N 1 1 193.294 1.948 10 0 ADAEMO Cc1cn[nH]c1C[N@@H+]1CC[C@H](C)[C@@H]1C 336563245 346475213 /nfs/dbraw/zinc/47/52/13/346475213.db2.gz QAXPXBSLPGCMKS-WPRPVWTQSA-N 1 1 193.294 1.948 10 0 ADAEMO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](C)[C@@H]1C 336563243 346475253 /nfs/dbraw/zinc/47/52/53/346475253.db2.gz 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199.294 1.465 10 0 ADAEMO CC[N@H+]1CCOCC[C@@H]1c1ccno1 616598175 347108641 /nfs/dbraw/zinc/10/86/41/347108641.db2.gz HRPNBKXIDSAJGS-SECBINFHSA-N 1 1 196.250 1.458 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2c[nH]cn2)C1 616601577 347108967 /nfs/dbraw/zinc/10/89/67/347108967.db2.gz CYGNRVRSEYLRQV-JTQLQIEISA-N 1 1 193.294 1.999 10 0 ADAEMO C[N@H+]1CCCC[C@H](n2cccn2)C1 616601232 347109058 /nfs/dbraw/zinc/10/90/58/347109058.db2.gz AWUDXPDEMLJDQE-JTQLQIEISA-N 1 1 179.267 1.540 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2ncccn2)C1 616601755 347109064 /nfs/dbraw/zinc/10/90/64/347109064.db2.gz FQMAXPQHSNFIBD-JTQLQIEISA-N 1 1 191.278 1.676 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2cc[nH]n2)C1 616602203 347109072 /nfs/dbraw/zinc/10/90/72/347109072.db2.gz IIUHPZGRQNERFE-VIFPVBQESA-N 1 1 179.267 1.609 10 0 ADAEMO C[N@@H+]1CCCC[C@H](c2ccn[nH]2)C1 616602203 347109073 /nfs/dbraw/zinc/10/90/73/347109073.db2.gz IIUHPZGRQNERFE-VIFPVBQESA-N 1 1 179.267 1.609 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2ccn[nH]2)C1 616602203 347109074 /nfs/dbraw/zinc/10/90/74/347109074.db2.gz IIUHPZGRQNERFE-VIFPVBQESA-N 1 1 179.267 1.609 10 0 ADAEMO CCOC(=O)[C@H]1CCCC[N@@H+](C)C1 616602089 347109085 /nfs/dbraw/zinc/10/90/85/347109085.db2.gz GVISEGWQUWRFKK-VIFPVBQESA-N 1 1 185.267 1.281 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2cncnc2)C1 616601767 347109154 /nfs/dbraw/zinc/10/91/54/347109154.db2.gz FRDPRWCJUVLOLL-JTQLQIEISA-N 1 1 191.278 1.676 10 0 ADAEMO C[N@H+]1CCCOC[C@@H]1c1ccncc1 616600025 347109173 /nfs/dbraw/zinc/10/91/73/347109173.db2.gz XYBYDDYSCPVDSP-LLVKDONJSA-N 1 1 192.262 1.475 10 0 ADAEMO CC[N@H+]1CCCC[C@H](C(C)=O)C1 616602757 347109184 /nfs/dbraw/zinc/10/91/84/347109184.db2.gz OEUPIOGXGRJBLM-JTQLQIEISA-N 1 1 169.268 1.697 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2cnco2)C1 616601479 347109222 /nfs/dbraw/zinc/10/92/22/347109222.db2.gz CPOBJGJINNHNGA-VIFPVBQESA-N 1 1 180.251 1.874 10 0 ADAEMO OCC[N@H+]1CCC[C@@H](C(F)F)CC1 616601249 347109263 /nfs/dbraw/zinc/10/92/63/347109263.db2.gz NGWCYCAMRHNBGY-MRVPVSSYSA-N 1 1 193.237 1.346 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2ncco2)C1 616601414 347109414 /nfs/dbraw/zinc/10/94/14/347109414.db2.gz CDSPYTDVLROUSP-VIFPVBQESA-N 1 1 180.251 1.874 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2c[nH]cn2)C1 616602193 347109480 /nfs/dbraw/zinc/10/94/80/347109480.db2.gz ICEDFEDPFPGAHK-VIFPVBQESA-N 1 1 179.267 1.609 10 0 ADAEMO CC(C)(C)[N@H+]1CCC[C@@H](C(N)=O)CC1 616601198 347109489 /nfs/dbraw/zinc/10/94/89/347109489.db2.gz LFAMUZKFEFPXSC-SECBINFHSA-N 1 1 198.310 1.372 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2cnno2)C1 616602325 347109500 /nfs/dbraw/zinc/10/95/00/347109500.db2.gz LHZPTKOLYDYAQH-VIFPVBQESA-N 1 1 195.266 1.659 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2cn[nH]c2)C1 616602164 347109538 /nfs/dbraw/zinc/10/95/38/347109538.db2.gz HJFMFXRVOBFZHY-VIFPVBQESA-N 1 1 179.267 1.609 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2cn[nH]n2)C1 616603078 347109899 /nfs/dbraw/zinc/10/98/99/347109899.db2.gz SFBGSYBQVOFHBN-VIFPVBQESA-N 1 1 194.282 1.394 10 0 ADAEMO CC[N@@H+]1CCCC[C@H](c2c[nH]nn2)C1 616603078 347109900 /nfs/dbraw/zinc/10/99/00/347109900.db2.gz SFBGSYBQVOFHBN-VIFPVBQESA-N 1 1 194.282 1.394 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2c[nH]nn2)C1 616603078 347109901 /nfs/dbraw/zinc/10/99/01/347109901.db2.gz SFBGSYBQVOFHBN-VIFPVBQESA-N 1 1 194.282 1.394 10 0 ADAEMO CC[N@@H+]1CCCC[C@H](c2cnn[nH]2)C1 616603078 347109902 /nfs/dbraw/zinc/10/99/02/347109902.db2.gz SFBGSYBQVOFHBN-VIFPVBQESA-N 1 1 194.282 1.394 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2cnn[nH]2)C1 616603078 347109903 /nfs/dbraw/zinc/10/99/03/347109903.db2.gz SFBGSYBQVOFHBN-VIFPVBQESA-N 1 1 194.282 1.394 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2cn[nH]n2)C1 616603645 347109907 /nfs/dbraw/zinc/10/99/07/347109907.db2.gz XTPKHYCDDSVGGL-QMMMGPOBSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@@H+]1CCCC[C@H](c2c[nH]nn2)C1 616603645 347109908 /nfs/dbraw/zinc/10/99/08/347109908.db2.gz XTPKHYCDDSVGGL-QMMMGPOBSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2c[nH]nn2)C1 616603645 347109909 /nfs/dbraw/zinc/10/99/09/347109909.db2.gz XTPKHYCDDSVGGL-QMMMGPOBSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@@H+]1CCCC[C@H](c2cnn[nH]2)C1 616603645 347109910 /nfs/dbraw/zinc/10/99/10/347109910.db2.gz XTPKHYCDDSVGGL-QMMMGPOBSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2cnn[nH]2)C1 616603645 347109911 /nfs/dbraw/zinc/10/99/11/347109911.db2.gz XTPKHYCDDSVGGL-QMMMGPOBSA-N 1 1 180.255 1.004 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2ncc[nH]2)C1 616602792 347109942 /nfs/dbraw/zinc/10/99/42/347109942.db2.gz OORWPOMFLHETLU-JTQLQIEISA-N 1 1 193.294 1.999 10 0 ADAEMO CC[C@H]1CCCC[N@@H+](CCN)C1 616604339 347109973 /nfs/dbraw/zinc/10/99/73/347109973.db2.gz MILXEKVXZSDZHV-JTQLQIEISA-N 1 1 170.300 1.457 10 0 ADAEMO CC[C@H]1CCCCN(CC[NH3+])C1 616604339 347109976 /nfs/dbraw/zinc/10/99/76/347109976.db2.gz MILXEKVXZSDZHV-JTQLQIEISA-N 1 1 170.300 1.457 10 0 ADAEMO CO[C@H]1CCCC[N@H+](C(C)C)C1 616604385 347109993 /nfs/dbraw/zinc/10/99/93/347109993.db2.gz NBMCZOHMUPNYNN-JTQLQIEISA-N 1 1 171.284 1.896 10 0 ADAEMO C[N@H+]1CCCC[C@H](n2ccnc2)C1 616603992 347110002 /nfs/dbraw/zinc/11/00/02/347110002.db2.gz YUYIRRJCHUIUAJ-JTQLQIEISA-N 1 1 179.267 1.540 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2cncnc2)C1 616604555 347110024 /nfs/dbraw/zinc/11/00/24/347110024.db2.gz FRDPRWCJUVLOLL-SNVBAGLBSA-N 1 1 191.278 1.676 10 0 ADAEMO CC[N@H+]1CCCC[C@H](OC)C1 616603538 347110045 /nfs/dbraw/zinc/11/00/45/347110045.db2.gz VVPDEQPTRGTHRO-VIFPVBQESA-N 1 1 157.257 1.507 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2ccncn2)C1 616603550 347110049 /nfs/dbraw/zinc/11/00/49/347110049.db2.gz WBJLYEYIXFYIQV-JTQLQIEISA-N 1 1 191.278 1.676 10 0 ADAEMO CC[C@H]1CCCC[N@@H+](CCO)C1 616604333 347110076 /nfs/dbraw/zinc/11/00/76/347110076.db2.gz MGYRFDIQXGGTLC-JTQLQIEISA-N 1 1 171.284 1.491 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2cnno2)C1 616603063 347110099 /nfs/dbraw/zinc/11/00/99/347110099.db2.gz RYNYQIHCFALPTE-QMMMGPOBSA-N 1 1 181.239 1.269 10 0 ADAEMO CC(C)[N@H+]1CCCC[C@H](CCO)C1 616605035 347110106 /nfs/dbraw/zinc/11/01/06/347110106.db2.gz WGOMSZJFQJRGKB-LLVKDONJSA-N 1 1 185.311 1.879 10 0 ADAEMO CC(C)(C)[N@H+]1CCCC[C@H](C(N)=O)C1 616604945 347110111 /nfs/dbraw/zinc/11/01/11/347110111.db2.gz VEWAXFBUKHJVDM-VIFPVBQESA-N 1 1 198.310 1.372 10 0 ADAEMO CC[N@H+]1CCCC[C@H](CCO)C1 616603636 347110145 /nfs/dbraw/zinc/11/01/45/347110145.db2.gz XMYJNSAFNLQIOE-SNVBAGLBSA-N 1 1 171.284 1.491 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2ccon2)C1 616603999 347110151 /nfs/dbraw/zinc/11/01/51/347110151.db2.gz ZAKHHKNAOFOBBC-VIFPVBQESA-N 1 1 180.251 1.874 10 0 ADAEMO CC(C)[N@H+]1CCCC[C@H](O)C1 616603919 347110159 /nfs/dbraw/zinc/11/01/59/347110159.db2.gz KBXAEONQABXQGD-VIFPVBQESA-N 1 1 157.257 1.242 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2ccno2)C1 616603475 347110166 /nfs/dbraw/zinc/11/01/66/347110166.db2.gz UVZJVUSZTGNSRY-VIFPVBQESA-N 1 1 180.251 1.874 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2cccnn2)C1 616602928 347110180 /nfs/dbraw/zinc/11/01/80/347110180.db2.gz QBOCQWDQBATWCL-JTQLQIEISA-N 1 1 191.278 1.676 10 0 ADAEMO OCC[N@H+]1CCCC[C@H](C(F)F)C1 616603920 347110234 /nfs/dbraw/zinc/11/02/34/347110234.db2.gz KCLSPJRBZGCRAW-QMMMGPOBSA-N 1 1 193.237 1.346 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2conn2)C1 616602981 347110243 /nfs/dbraw/zinc/11/02/43/347110243.db2.gz QYNPORPJTCRVAT-QMMMGPOBSA-N 1 1 181.239 1.269 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2cc[nH]n2)C1 616603633 347110251 /nfs/dbraw/zinc/11/02/51/347110251.db2.gz XMRWTGVANLKRBS-JTQLQIEISA-N 1 1 193.294 1.999 10 0 ADAEMO CC[N@@H+]1CCCC[C@H](c2ccn[nH]2)C1 616603633 347110255 /nfs/dbraw/zinc/11/02/55/347110255.db2.gz XMRWTGVANLKRBS-JTQLQIEISA-N 1 1 193.294 1.999 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2ccn[nH]2)C1 616603633 347110259 /nfs/dbraw/zinc/11/02/59/347110259.db2.gz XMRWTGVANLKRBS-JTQLQIEISA-N 1 1 193.294 1.999 10 0 ADAEMO CC[N@H+]1CCCC[C@H](N(C)C)C1 616603862 347110321 /nfs/dbraw/zinc/11/03/21/347110321.db2.gz YJKHXOSVDOJJEZ-JTQLQIEISA-N 1 1 170.300 1.422 10 0 ADAEMO CCN1CCCC[C@H]([NH+](C)C)C1 616603862 347110324 /nfs/dbraw/zinc/11/03/24/347110324.db2.gz YJKHXOSVDOJJEZ-JTQLQIEISA-N 1 1 170.300 1.422 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2conn2)C1 616603649 347110338 /nfs/dbraw/zinc/11/03/38/347110338.db2.gz XWLHACGSDWRRKR-VIFPVBQESA-N 1 1 195.266 1.659 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2cn[nH]c2)C1 616603536 347110353 /nfs/dbraw/zinc/11/03/53/347110353.db2.gz VURYMUNAZFBJEA-JTQLQIEISA-N 1 1 193.294 1.999 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2ccnnc2)C1 616602932 347110367 /nfs/dbraw/zinc/11/03/67/347110367.db2.gz QGDQTCHAVBCSMW-NSHDSACASA-N 1 1 191.278 1.676 10 0 ADAEMO CC[N@H+]1CCCC[C@H](c2nnc[nH]2)C1 616602968 347110385 /nfs/dbraw/zinc/11/03/85/347110385.db2.gz QWIJBOPGLWOLHA-VIFPVBQESA-N 1 1 194.282 1.394 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2cnoc2)C1 616603558 347110404 /nfs/dbraw/zinc/11/04/04/347110404.db2.gz WEWNHEBLMXHNEL-VIFPVBQESA-N 1 1 180.251 1.874 10 0 ADAEMO CC(C)[C@H]1CCCC[N@@H+](CCN)C1 616604877 347110456 /nfs/dbraw/zinc/11/04/56/347110456.db2.gz SAPLDNVPKNJEJJ-NSHDSACASA-N 1 1 184.327 1.703 10 0 ADAEMO CC[N@H+]1CCCC[C@H](n2ccnc2)C1 616603996 347110463 /nfs/dbraw/zinc/11/04/63/347110463.db2.gz YYZXMCQLWZBGSZ-NSHDSACASA-N 1 1 193.294 1.930 10 0 ADAEMO CC[N@H+]1CCCC[C@H](n2cccn2)C1 616604018 347110493 /nfs/dbraw/zinc/11/04/93/347110493.db2.gz ZRLBQSRCTKWZMK-NSHDSACASA-N 1 1 193.294 1.930 10 0 ADAEMO C[N@H+]1CCCC[C@H](c2nnc[nH]2)C1 616602867 347110519 /nfs/dbraw/zinc/11/05/19/347110519.db2.gz PDCVOTLFHWCIMA-QMMMGPOBSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@H+]1CCC[C@H]1c1cccc(N)n1 616606253 347110843 /nfs/dbraw/zinc/11/08/43/347110843.db2.gz DHCXXNNIFWTBKD-VIFPVBQESA-N 1 1 177.251 1.431 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1c1cnco1 616606409 347110857 /nfs/dbraw/zinc/11/08/57/347110857.db2.gz FDGOMBXOPGTVGM-MRVPVSSYSA-N 1 1 166.224 1.831 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1c1ccnnc1 616606294 347110872 /nfs/dbraw/zinc/11/08/72/347110872.db2.gz AARBBLYNXYYZMU-SNVBAGLBSA-N 1 1 177.251 1.633 10 0 ADAEMO CC[N@H+]1CCC[C@H]1c1cnco1 616606275 347110895 /nfs/dbraw/zinc/11/08/95/347110895.db2.gz FDGOMBXOPGTVGM-QMMMGPOBSA-N 1 1 166.224 1.831 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2ccnnc2)C1 616605596 347110918 /nfs/dbraw/zinc/11/09/18/347110918.db2.gz QGDQTCHAVBCSMW-LLVKDONJSA-N 1 1 191.278 1.676 10 0 ADAEMO CC(C)[N@H+]1CCCC[C@H](N(C)C)C1 616605360 347110972 /nfs/dbraw/zinc/11/09/72/347110972.db2.gz ZFHRHNBYBKZJIX-NSHDSACASA-N 1 1 184.327 1.811 10 0 ADAEMO CC(C)(C)[N@H+]1CCCC[C@H](CO)C1 616605370 347110977 /nfs/dbraw/zinc/11/09/77/347110977.db2.gz ZKQBDDHREIMFDZ-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO CC[N@H+]1CCC[C@H]1c1cccc(N)n1 616606357 347111001 /nfs/dbraw/zinc/11/10/01/347111001.db2.gz GQOHUGHHKMYNCX-JTQLQIEISA-N 1 1 191.278 1.821 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1c1c[nH]nn1 616606424 347111034 /nfs/dbraw/zinc/11/10/34/347111034.db2.gz FVWZCKKYGVAPRJ-SECBINFHSA-N 1 1 180.255 1.350 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@@H]1c1cnn[nH]1 616606424 347111035 /nfs/dbraw/zinc/11/10/35/347111035.db2.gz FVWZCKKYGVAPRJ-SECBINFHSA-N 1 1 180.255 1.350 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1c1cnn[nH]1 616606424 347111037 /nfs/dbraw/zinc/11/10/37/347111037.db2.gz FVWZCKKYGVAPRJ-SECBINFHSA-N 1 1 180.255 1.350 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@@H]1c1cn[nH]n1 616606424 347111039 /nfs/dbraw/zinc/11/10/39/347111039.db2.gz FVWZCKKYGVAPRJ-SECBINFHSA-N 1 1 180.255 1.350 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1c1cn[nH]n1 616606424 347111041 /nfs/dbraw/zinc/11/10/41/347111041.db2.gz FVWZCKKYGVAPRJ-SECBINFHSA-N 1 1 180.255 1.350 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1cnoc1 616606443 347111060 /nfs/dbraw/zinc/11/10/60/347111060.db2.gz HHBREZPYZANSIA-MRVPVSSYSA-N 1 1 152.197 1.441 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1cccc(N)n1 616606370 347111115 /nfs/dbraw/zinc/11/11/15/347111115.db2.gz DHCXXNNIFWTBKD-SECBINFHSA-N 1 1 177.251 1.431 10 0 ADAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1C(N)=O 616605695 347111150 /nfs/dbraw/zinc/11/11/50/347111150.db2.gz OZOOTWGQUWPQOS-SECBINFHSA-N 1 1 198.310 1.515 10 0 ADAEMO CC[N@H+]1CCC[C@H]1c1ccnnc1 616606160 347111163 /nfs/dbraw/zinc/11/11/63/347111163.db2.gz AARBBLYNXYYZMU-JTQLQIEISA-N 1 1 177.251 1.633 10 0 ADAEMO C[N@H+]1CCC[C@H]1c1cnco1 616606304 347111209 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194.282 1.393 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](c2c[nH]nn2)C1 616614614 347120489 /nfs/dbraw/zinc/12/04/89/347120489.db2.gz SALFGNDGUAOCEB-MRVPVSSYSA-N 1 1 194.282 1.393 10 0 ADAEMO CC(C)(C)[N@@H+]1CC[C@@H](c2cnn[nH]2)C1 616614614 347120491 /nfs/dbraw/zinc/12/04/91/347120491.db2.gz SALFGNDGUAOCEB-MRVPVSSYSA-N 1 1 194.282 1.393 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](c2cnn[nH]2)C1 616614614 347120493 /nfs/dbraw/zinc/12/04/93/347120493.db2.gz SALFGNDGUAOCEB-MRVPVSSYSA-N 1 1 194.282 1.393 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2ccncn2)C1 616614555 347120496 /nfs/dbraw/zinc/12/04/96/347120496.db2.gz PCXKRTZPMQUVKX-SNVBAGLBSA-N 1 1 191.278 1.674 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](c2cc[nH]n2)C1 616614792 347120529 /nfs/dbraw/zinc/12/05/29/347120529.db2.gz VGSLVUUEIMTKTL-SECBINFHSA-N 1 1 193.294 1.998 10 0 ADAEMO CC(C)(C)[N@@H+]1CC[C@@H](c2ccn[nH]2)C1 616614792 347120531 /nfs/dbraw/zinc/12/05/31/347120531.db2.gz VGSLVUUEIMTKTL-SECBINFHSA-N 1 1 193.294 1.998 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](c2ccn[nH]2)C1 616614792 347120533 /nfs/dbraw/zinc/12/05/33/347120533.db2.gz VGSLVUUEIMTKTL-SECBINFHSA-N 1 1 193.294 1.998 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1cnno1 616614523 347120536 /nfs/dbraw/zinc/12/05/36/347120536.db2.gz UAUCRVBMBMBKGB-SSDOTTSWSA-N 1 1 167.212 1.226 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1c1cnno1 616614512 347120556 /nfs/dbraw/zinc/12/05/56/347120556.db2.gz SPRDIGNXLGOYHS-MRVPVSSYSA-N 1 1 181.239 1.617 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1cncnc1 616614578 347120579 /nfs/dbraw/zinc/12/05/79/347120579.db2.gz VTBHBYOUNJIZTN-SNVBAGLBSA-N 1 1 177.251 1.633 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](c2cnno2)C1 616614611 347120585 /nfs/dbraw/zinc/12/05/85/347120585.db2.gz RWBWTODQEREZLA-MRVPVSSYSA-N 1 1 195.266 1.657 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2ccno2)C1 616614317 347120602 /nfs/dbraw/zinc/12/06/02/347120602.db2.gz HHPBVALOHRFPBL-SECBINFHSA-N 1 1 180.251 1.872 10 0 ADAEMO CC[N@@H+]1CCCC[C@@H]1c1conn1 616614472 347120619 /nfs/dbraw/zinc/12/06/19/347120619.db2.gz PVHJEEGBVIGUNG-SECBINFHSA-N 1 1 181.239 1.617 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1c1conn1 616614472 347120622 /nfs/dbraw/zinc/12/06/22/347120622.db2.gz PVHJEEGBVIGUNG-SECBINFHSA-N 1 1 181.239 1.617 10 0 ADAEMO OCC[N@@H+]1CCCC[C@@H]1c1ncco1 616614510 347120705 /nfs/dbraw/zinc/12/07/05/347120705.db2.gz SONMSAWKGBBOBC-SECBINFHSA-N 1 1 196.250 1.194 10 0 ADAEMO OCC[N@H+]1CCCC[C@@H]1c1ncco1 616614510 347120708 /nfs/dbraw/zinc/12/07/08/347120708.db2.gz SONMSAWKGBBOBC-SECBINFHSA-N 1 1 196.250 1.194 10 0 ADAEMO OCC[N@H+]1CCCC[C@@H]1c1ccno1 616614458 347120714 /nfs/dbraw/zinc/12/07/14/347120714.db2.gz PDGLEUGQHZMQRJ-SECBINFHSA-N 1 1 196.250 1.194 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2ccon2)C1 616614348 347120751 /nfs/dbraw/zinc/12/07/51/347120751.db2.gz KBBPOZAEESCHMV-SECBINFHSA-N 1 1 180.251 1.872 10 0 ADAEMO CO[C@H]1CCCC[N@H+]1C(C)C 616614461 347120760 /nfs/dbraw/zinc/12/07/60/347120760.db2.gz PFVZFIXUXVNTMD-VIFPVBQESA-N 1 1 157.257 1.853 10 0 ADAEMO OCC[N@H+]1CCCC[C@@H]1c1cnco1 616614516 347120769 /nfs/dbraw/zinc/12/07/69/347120769.db2.gz SYYVSDUEDVDUFA-SECBINFHSA-N 1 1 196.250 1.194 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2conn2)C1 616614571 347120838 /nfs/dbraw/zinc/12/08/38/347120838.db2.gz PSZOZQKBSSATET-MRVPVSSYSA-N 1 1 181.239 1.267 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2cnoc2)C1 616614418 347120851 /nfs/dbraw/zinc/12/08/51/347120851.db2.gz NRWCTGPQFQXARX-SECBINFHSA-N 1 1 180.251 1.872 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2cnno2)C1 616614353 347120926 /nfs/dbraw/zinc/12/09/26/347120926.db2.gz KGMVBSQWDLNGCN-MRVPVSSYSA-N 1 1 181.239 1.267 10 0 ADAEMO OCC[N@@H+]1CCCC[C@@H]1c1cocn1 616614262 347120935 /nfs/dbraw/zinc/12/09/35/347120935.db2.gz NHERNZOXUDECQR-SNVBAGLBSA-N 1 1 196.250 1.194 10 0 ADAEMO OCC[N@H+]1CCCC[C@@H]1c1cocn1 616614262 347120938 /nfs/dbraw/zinc/12/09/38/347120938.db2.gz NHERNZOXUDECQR-SNVBAGLBSA-N 1 1 196.250 1.194 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2cnco2)C1 616614328 347121010 /nfs/dbraw/zinc/12/10/10/347121010.db2.gz IAYDIVSDHSIOKH-SECBINFHSA-N 1 1 180.251 1.872 10 0 ADAEMO C[N@@H+]1CCCC[C@@H]1c1conn1 616614482 347121134 /nfs/dbraw/zinc/12/11/34/347121134.db2.gz QPFXONIDZBISKG-MRVPVSSYSA-N 1 1 167.212 1.226 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1c1conn1 616614482 347121140 /nfs/dbraw/zinc/12/11/40/347121140.db2.gz QPFXONIDZBISKG-MRVPVSSYSA-N 1 1 167.212 1.226 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](n2cccn2)C1 616614417 347121147 /nfs/dbraw/zinc/12/11/47/347121147.db2.gz NRPVWPLZIRCKFU-SNVBAGLBSA-N 1 1 193.294 1.928 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2ncc[nH]2)C1 616614856 347121172 /nfs/dbraw/zinc/12/11/72/347121172.db2.gz YDEXHLPQBJQTHG-SECBINFHSA-N 1 1 179.267 1.607 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](c2ncc[nH]2)C1 616614607 347121186 /nfs/dbraw/zinc/12/11/86/347121186.db2.gz RSGPXAAMEQVDJY-SECBINFHSA-N 1 1 193.294 1.998 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1c1conn1 616615752 347121556 /nfs/dbraw/zinc/12/15/56/347121556.db2.gz QPFXONIDZBISKG-QMMMGPOBSA-N 1 1 167.212 1.226 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1conn1 616615752 347121559 /nfs/dbraw/zinc/12/15/59/347121559.db2.gz QPFXONIDZBISKG-QMMMGPOBSA-N 1 1 167.212 1.226 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 616614857 347121578 /nfs/dbraw/zinc/12/15/78/347121578.db2.gz YGEMGTJAXBUFGJ-MRVPVSSYSA-N 1 1 194.282 1.393 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1cnc[nH]1 616615841 347121585 /nfs/dbraw/zinc/12/15/85/347121585.db2.gz VEJGZDUQGPZLLG-VIFPVBQESA-N 1 1 165.240 1.567 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1c1c[nH]cn1 616615841 347121588 /nfs/dbraw/zinc/12/15/88/347121588.db2.gz VEJGZDUQGPZLLG-VIFPVBQESA-N 1 1 165.240 1.567 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1c[nH]cn1 616615841 347121589 /nfs/dbraw/zinc/12/15/89/347121589.db2.gz VEJGZDUQGPZLLG-VIFPVBQESA-N 1 1 165.240 1.567 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1c1ncccn1 616615159 347121603 /nfs/dbraw/zinc/12/16/03/347121603.db2.gz DWERAJGINNZDHL-VIFPVBQESA-N 1 1 177.251 1.633 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1ncccn1 616615159 347121605 /nfs/dbraw/zinc/12/16/05/347121605.db2.gz DWERAJGINNZDHL-VIFPVBQESA-N 1 1 177.251 1.633 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1c1ncc[nH]1 616615405 347121637 /nfs/dbraw/zinc/12/16/37/347121637.db2.gz ISZDLRHOTGBIME-VIFPVBQESA-N 1 1 179.267 1.957 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1OC 616615467 347121733 /nfs/dbraw/zinc/12/17/33/347121733.db2.gz LOBRUPVGLVZSCO-MRVPVSSYSA-N 1 1 143.230 1.465 10 0 ADAEMO CC[N@@H+]1CCCC[C@H]1c1conn1 616615736 347121761 /nfs/dbraw/zinc/12/17/61/347121761.db2.gz PVHJEEGBVIGUNG-VIFPVBQESA-N 1 1 181.239 1.617 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1c1conn1 616615736 347121766 /nfs/dbraw/zinc/12/17/66/347121766.db2.gz PVHJEEGBVIGUNG-VIFPVBQESA-N 1 1 181.239 1.617 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1ccnnc1 616615181 347121801 /nfs/dbraw/zinc/12/18/01/347121801.db2.gz FOPAYEKTZBZARN-JTQLQIEISA-N 1 1 177.251 1.633 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1cnco1 616615482 347121827 /nfs/dbraw/zinc/12/18/27/347121827.db2.gz MTOSUMAOQHQLBA-QMMMGPOBSA-N 1 1 166.224 1.831 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1cnno1 616615815 347121901 /nfs/dbraw/zinc/12/19/01/347121901.db2.gz UAUCRVBMBMBKGB-ZETCQYMHSA-N 1 1 167.212 1.226 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](c2cocn2)C1 616614873 347121926 /nfs/dbraw/zinc/12/19/26/347121926.db2.gz YVIGVXGYQUPGEY-SECBINFHSA-N 1 1 180.251 1.872 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1c1cnc[nH]1 616615084 347121938 /nfs/dbraw/zinc/12/19/38/347121938.db2.gz BPIPVNBEYWBPSC-JTQLQIEISA-N 1 1 179.267 1.957 10 0 ADAEMO CC[N@@H+]1CCCC[C@H]1c1c[nH]cn1 616615084 347121941 /nfs/dbraw/zinc/12/19/41/347121941.db2.gz BPIPVNBEYWBPSC-JTQLQIEISA-N 1 1 179.267 1.957 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1c1c[nH]cn1 616615084 347121944 /nfs/dbraw/zinc/12/19/44/347121944.db2.gz BPIPVNBEYWBPSC-JTQLQIEISA-N 1 1 179.267 1.957 10 0 ADAEMO CC(C)[N@H+]1CCCC[C@H]1c1cnn[nH]1 616615074 347121964 /nfs/dbraw/zinc/12/19/64/347121964.db2.gz BIFUKPJNTWZSNY-JTQLQIEISA-N 1 1 194.282 1.740 10 0 ADAEMO CC(C)[N@@H+]1CCCC[C@H]1c1c[nH]nn1 616615074 347121967 /nfs/dbraw/zinc/12/19/67/347121967.db2.gz BIFUKPJNTWZSNY-JTQLQIEISA-N 1 1 194.282 1.740 10 0 ADAEMO CC(C)[N@H+]1CCCC[C@H]1c1c[nH]nn1 616615074 347121970 /nfs/dbraw/zinc/12/19/70/347121970.db2.gz BIFUKPJNTWZSNY-JTQLQIEISA-N 1 1 194.282 1.740 10 0 ADAEMO OCC[N@H+]1CCCC[C@H]1c1cnoc1 616615835 347122070 /nfs/dbraw/zinc/12/20/70/347122070.db2.gz CBNHYSWMZYZCNI-JTQLQIEISA-N 1 1 196.250 1.194 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1c1cnno1 616615793 347122108 /nfs/dbraw/zinc/12/21/08/347122108.db2.gz SPRDIGNXLGOYHS-QMMMGPOBSA-N 1 1 181.239 1.617 10 0 ADAEMO CO[C@@H]1CCCC[N@H+]1C(C)C 616615725 347122121 /nfs/dbraw/zinc/12/21/21/347122121.db2.gz PFVZFIXUXVNTMD-SECBINFHSA-N 1 1 157.257 1.853 10 0 ADAEMO C[N@@H+]1CCCC[C@H]1c1ccon1 616615148 347122307 /nfs/dbraw/zinc/12/23/07/347122307.db2.gz DQBIDISGZBCRJB-VIFPVBQESA-N 1 1 166.224 1.831 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1ccon1 616615148 347122308 /nfs/dbraw/zinc/12/23/08/347122308.db2.gz DQBIDISGZBCRJB-VIFPVBQESA-N 1 1 166.224 1.831 10 0 ADAEMO C[N@H+]1CCC[C@@H](c2cnco2)C1 616617037 347122781 /nfs/dbraw/zinc/12/27/81/347122781.db2.gz GPMSWZQMXDKYLV-MRVPVSSYSA-N 1 1 166.224 1.484 10 0 ADAEMO CC[N@H+]1CCC[C@H](c2ccno2)C1 616616988 347122788 /nfs/dbraw/zinc/12/27/88/347122788.db2.gz AACIEKUKNTYNAI-VIFPVBQESA-N 1 1 180.251 1.874 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1cnoc1 616616087 347122801 /nfs/dbraw/zinc/12/28/01/347122801.db2.gz ZVSPVBPNMULHBY-VIFPVBQESA-N 1 1 166.224 1.831 10 0 ADAEMO C[N@H+]1CCCC[C@H]1c1cncnc1 616615846 347122806 /nfs/dbraw/zinc/12/28/06/347122806.db2.gz VTBHBYOUNJIZTN-JTQLQIEISA-N 1 1 177.251 1.633 10 0 ADAEMO CC[N@H+]1CCC[C@H](c2cncnc2)C1 616617052 347122832 /nfs/dbraw/zinc/12/28/32/347122832.db2.gz DJMXUTVPVDQHJW-JTQLQIEISA-N 1 1 191.278 1.676 10 0 ADAEMO CC[N@H+]1CCC[C@H](c2ncco2)C1 616616991 347122844 /nfs/dbraw/zinc/12/28/44/347122844.db2.gz AAKFHZKOMJKEOR-VIFPVBQESA-N 1 1 180.251 1.874 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H](c2cnno2)C1 616617064 347122866 /nfs/dbraw/zinc/12/28/66/347122866.db2.gz HKVKPNIZJOYVQE-SECBINFHSA-N 1 1 195.266 1.657 10 0 ADAEMO OCC[N@@H+]1CCCC[C@H]1c1cocn1 616616415 347122876 /nfs/dbraw/zinc/12/28/76/347122876.db2.gz NHERNZOXUDECQR-JTQLQIEISA-N 1 1 196.250 1.194 10 0 ADAEMO OCC[N@H+]1CCCC[C@H]1c1cocn1 616616415 347122878 /nfs/dbraw/zinc/12/28/78/347122878.db2.gz NHERNZOXUDECQR-JTQLQIEISA-N 1 1 196.250 1.194 10 0 ADAEMO C[N@H+]1CCC[C@H](c2cccnc2N)C1 616617039 347122920 /nfs/dbraw/zinc/12/29/20/347122920.db2.gz CJJMUOFSWZFKFP-VIFPVBQESA-N 1 1 191.278 1.473 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H](c2c[nH]cn2)C1 616616999 347122948 /nfs/dbraw/zinc/12/29/48/347122948.db2.gz FQCJHWKAOUYIIM-SNVBAGLBSA-N 1 1 193.294 1.998 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H](c2cn[nH]c2)C1 616617061 347122958 /nfs/dbraw/zinc/12/29/58/347122958.db2.gz HFHIGGODQPYPCW-SNVBAGLBSA-N 1 1 193.294 1.998 10 0 ADAEMO OCC[N@@H+]1CCCC[C@H]1c1ccon1 616616108 347122966 /nfs/dbraw/zinc/12/29/66/347122966.db2.gz HFHVSEVHJFHLKG-JTQLQIEISA-N 1 1 196.250 1.194 10 0 ADAEMO OCC[N@H+]1CCCC[C@H]1c1ccon1 616616108 347122970 /nfs/dbraw/zinc/12/29/70/347122970.db2.gz HFHVSEVHJFHLKG-JTQLQIEISA-N 1 1 196.250 1.194 10 0 ADAEMO OCC[N@@H+]1CCCC[C@H]1c1ncco1 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/nfs/dbraw/zinc/15/28/64/347152864.db2.gz CPOBJGJINNHNGA-SECBINFHSA-N 1 1 180.251 1.874 10 0 ADAEMO C[N@@H+]1CCCO[C@H](c2ccon2)C1 616651924 347152897 /nfs/dbraw/zinc/15/28/97/347152897.db2.gz QDCATQVJKJWWJS-VIFPVBQESA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@H+]1CCCO[C@H](c2ccon2)C1 616651924 347152902 /nfs/dbraw/zinc/15/29/02/347152902.db2.gz QDCATQVJKJWWJS-VIFPVBQESA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2ncc[nH]2)C1 616651848 347153033 /nfs/dbraw/zinc/15/30/33/347153033.db2.gz AOPDXZHWPWLAFG-SECBINFHSA-N 1 1 179.267 1.609 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2ncccn2)C1 616652224 347153047 /nfs/dbraw/zinc/15/30/47/347153047.db2.gz FQMAXPQHSNFIBD-SNVBAGLBSA-N 1 1 191.278 1.676 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](n2ccnc2)C1 616651833 347153145 /nfs/dbraw/zinc/15/31/45/347153145.db2.gz ALUWQIVXWOYQJO-SNVBAGLBSA-N 1 1 195.266 1.124 10 0 ADAEMO C[N@@H+]1CCCO[C@H](c2cocn2)C1 616651990 347153180 /nfs/dbraw/zinc/15/31/80/347153180.db2.gz QTTOBFJUOSHIAV-VIFPVBQESA-N 1 1 182.223 1.068 10 0 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/nfs/dbraw/zinc/15/36/13/347153613.db2.gz TZLULYLHNFLMRB-LURJTMIESA-N 1 1 183.173 1.269 10 0 ADAEMO C[N@@H+]1CCCO[C@@H](C(F)(F)F)C1 616653074 347153621 /nfs/dbraw/zinc/15/36/21/347153621.db2.gz TZLULYLHNFLMRB-ZCFIWIBFSA-N 1 1 183.173 1.269 10 0 ADAEMO C[N@H+]1CCCO[C@@H](C(F)(F)F)C1 616653074 347153623 /nfs/dbraw/zinc/15/36/23/347153623.db2.gz TZLULYLHNFLMRB-ZCFIWIBFSA-N 1 1 183.173 1.269 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](c2c[nH]cn2)C1 616653305 347153635 /nfs/dbraw/zinc/15/36/35/347153635.db2.gz LMZUYGJWHXEPAC-SNVBAGLBSA-N 1 1 195.266 1.193 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](c2cnc[nH]2)C1 616653305 347153643 /nfs/dbraw/zinc/15/36/43/347153643.db2.gz LMZUYGJWHXEPAC-SNVBAGLBSA-N 1 1 195.266 1.193 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](c2ncco2)C1 616652626 347153696 /nfs/dbraw/zinc/15/36/96/347153696.db2.gz HTVZVRCJMSLIQL-SECBINFHSA-N 1 1 196.250 1.458 10 0 ADAEMO C[C@H]1C[N@H+](C(C)(C)C)CCCO1 616652644 347153746 /nfs/dbraw/zinc/15/37/46/347153746.db2.gz IDQUTVRAGDVQRZ-VIFPVBQESA-N 1 1 171.284 1.896 10 0 ADAEMO CO[C@H]1C[N@H+](C(C)C)CCCO1 616653324 347153820 /nfs/dbraw/zinc/15/38/20/347153820.db2.gz LSHRHYWTHVCJFK-SECBINFHSA-N 1 1 173.256 1.090 10 0 ADAEMO C[N@@H+]1CCCO[C@@H](c2cocn2)C1 616652590 347153849 /nfs/dbraw/zinc/15/38/49/347153849.db2.gz QTTOBFJUOSHIAV-SECBINFHSA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@H+]1CCCO[C@@H](c2cocn2)C1 616652590 347153850 /nfs/dbraw/zinc/15/38/50/347153850.db2.gz QTTOBFJUOSHIAV-SECBINFHSA-N 1 1 182.223 1.068 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](c2cnoc2)C1 616652768 347153857 /nfs/dbraw/zinc/15/38/57/347153857.db2.gz JSWDVWNYURYLFR-SNVBAGLBSA-N 1 1 196.250 1.458 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](c2cn[nH]c2)C1 616653382 347153876 /nfs/dbraw/zinc/15/38/76/347153876.db2.gz NHLOJENDGNKCDG-SNVBAGLBSA-N 1 1 195.266 1.193 10 0 ADAEMO CCOC(=O)[C@@H]1CCCC[N@@H+](C)C1 616652804 347153887 /nfs/dbraw/zinc/15/38/87/347153887.db2.gz GVISEGWQUWRFKK-SECBINFHSA-N 1 1 185.267 1.281 10 0 ADAEMO CC(C)[N@H+]1CCCO[C@@H](N(C)C)C1 616653367 347153940 /nfs/dbraw/zinc/15/39/40/347153940.db2.gz NERYHRMBRLSDNV-SNVBAGLBSA-N 1 1 186.299 1.005 10 0 ADAEMO CC(=O)[C@H]1C[N@@H+](C(C)C)CCCO1 616653464 347154047 /nfs/dbraw/zinc/15/40/47/347154047.db2.gz PYGWAHVJQXOBOI-SNVBAGLBSA-N 1 1 185.267 1.075 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](c2ccon2)C1 616653929 347154451 /nfs/dbraw/zinc/15/44/51/347154451.db2.gz ZVGILYMNOHMTDT-SNVBAGLBSA-N 1 1 196.250 1.458 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2cn[nH]c2)C1 616653982 347154555 /nfs/dbraw/zinc/15/45/55/347154555.db2.gz HJFMFXRVOBFZHY-SECBINFHSA-N 1 1 179.267 1.609 10 0 ADAEMO OCC[N@H+]1CCCC[C@@H](C(F)F)C1 616654037 347154582 /nfs/dbraw/zinc/15/45/82/347154582.db2.gz KCLSPJRBZGCRAW-MRVPVSSYSA-N 1 1 193.237 1.346 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2c[nH]cn2)C1 616653986 347154629 /nfs/dbraw/zinc/15/46/29/347154629.db2.gz ICEDFEDPFPGAHK-SECBINFHSA-N 1 1 179.267 1.609 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2cc[nH]n2)C1 616653995 347154691 /nfs/dbraw/zinc/15/46/91/347154691.db2.gz IIUHPZGRQNERFE-SECBINFHSA-N 1 1 179.267 1.609 10 0 ADAEMO C[N@@H+]1CCCC[C@@H](c2ccn[nH]2)C1 616653995 347154692 /nfs/dbraw/zinc/15/46/92/347154692.db2.gz IIUHPZGRQNERFE-SECBINFHSA-N 1 1 179.267 1.609 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2ccn[nH]2)C1 616653995 347154695 /nfs/dbraw/zinc/15/46/95/347154695.db2.gz IIUHPZGRQNERFE-SECBINFHSA-N 1 1 179.267 1.609 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](n2cccn2)C1 616653643 347154740 /nfs/dbraw/zinc/15/47/40/347154740.db2.gz RSDHBDMGIFEBGY-SNVBAGLBSA-N 1 1 195.266 1.124 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](c2cocn2)C1 616653695 347154753 /nfs/dbraw/zinc/15/47/53/347154753.db2.gz VIMVNLFMXFPFSO-SNVBAGLBSA-N 1 1 196.250 1.458 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](c2cnno2)C1 616654062 347154776 /nfs/dbraw/zinc/15/47/76/347154776.db2.gz LHZPTKOLYDYAQH-SECBINFHSA-N 1 1 195.266 1.659 10 0 ADAEMO CO[C@@H]1CCCC[N@@H+](C)C1 616654076 347154876 /nfs/dbraw/zinc/15/48/76/347154876.db2.gz LSENVXNQAZQNIF-MRVPVSSYSA-N 1 1 143.230 1.117 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2cocn2)C1 616653991 347154961 /nfs/dbraw/zinc/15/49/61/347154961.db2.gz IEVRLFKENMYHOP-SECBINFHSA-N 1 1 180.251 1.874 10 0 ADAEMO CC(C)[N@H+]1CCCO[C@@H](C(F)F)C1 616653908 347154973 /nfs/dbraw/zinc/15/49/73/347154973.db2.gz YVXIDJZQYQYOMC-MRVPVSSYSA-N 1 1 193.237 1.751 10 0 ADAEMO CC(C)[N@H+]1CCCC[C@@H](O)C1 616654035 347155007 /nfs/dbraw/zinc/15/50/07/347155007.db2.gz KBXAEONQABXQGD-SECBINFHSA-N 1 1 157.257 1.242 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](c2cnco2)C1 616653627 347155053 /nfs/dbraw/zinc/15/50/53/347155053.db2.gz RBPNSRKYFBUJGC-SNVBAGLBSA-N 1 1 196.250 1.458 10 0 ADAEMO CO[C@H]1C[N@H+](C(C)(C)C)CCCO1 616653707 347155062 /nfs/dbraw/zinc/15/50/62/347155062.db2.gz VWIMPWWLCSPBCH-SECBINFHSA-N 1 1 187.283 1.480 10 0 ADAEMO CC[N@H+]1CCCO[C@@H](C(F)(F)F)C1 616653686 347155073 /nfs/dbraw/zinc/15/50/73/347155073.db2.gz UNYAVXJXSVQZSX-SSDOTTSWSA-N 1 1 197.200 1.660 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](c2cn[nH]n2)C1 616654915 347155288 /nfs/dbraw/zinc/15/52/88/347155288.db2.gz SFBGSYBQVOFHBN-SECBINFHSA-N 1 1 194.282 1.394 10 0 ADAEMO CC[N@@H+]1CCCC[C@@H](c2c[nH]nn2)C1 616654915 347155290 /nfs/dbraw/zinc/15/52/90/347155290.db2.gz SFBGSYBQVOFHBN-SECBINFHSA-N 1 1 194.282 1.394 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](c2c[nH]nn2)C1 616654915 347155293 /nfs/dbraw/zinc/15/52/93/347155293.db2.gz SFBGSYBQVOFHBN-SECBINFHSA-N 1 1 194.282 1.394 10 0 ADAEMO CC[N@@H+]1CCCC[C@@H](c2cnn[nH]2)C1 616654915 347155296 /nfs/dbraw/zinc/15/52/96/347155296.db2.gz SFBGSYBQVOFHBN-SECBINFHSA-N 1 1 194.282 1.394 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](c2cnn[nH]2)C1 616654915 347155299 /nfs/dbraw/zinc/15/52/99/347155299.db2.gz SFBGSYBQVOFHBN-SECBINFHSA-N 1 1 194.282 1.394 10 0 ADAEMO CO[C@@H]1CCCC[N@H+](C(C)C)C1 616654813 347155375 /nfs/dbraw/zinc/15/53/75/347155375.db2.gz NBMCZOHMUPNYNN-SNVBAGLBSA-N 1 1 171.284 1.896 10 0 ADAEMO CC[C@@H]1CCCC[N@@H+](CCO)C1 616654786 347155507 /nfs/dbraw/zinc/15/55/07/347155507.db2.gz MGYRFDIQXGGTLC-SNVBAGLBSA-N 1 1 171.284 1.491 10 0 ADAEMO CC(=O)[C@H]1CCOCC[N@H+]1C(C)(C)C 616655488 347155515 /nfs/dbraw/zinc/15/55/15/347155515.db2.gz FCMOUPGTCLMLJW-SNVBAGLBSA-N 1 1 199.294 1.465 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2conn2)C1 616654888 347155627 /nfs/dbraw/zinc/15/56/27/347155627.db2.gz QYNPORPJTCRVAT-MRVPVSSYSA-N 1 1 181.239 1.269 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](C(C)=O)C1 616654832 347155653 /nfs/dbraw/zinc/15/56/53/347155653.db2.gz OEUPIOGXGRJBLM-SNVBAGLBSA-N 1 1 169.268 1.697 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](c2nnc[nH]2)C1 616654878 347155663 /nfs/dbraw/zinc/15/56/63/347155663.db2.gz QWIJBOPGLWOLHA-SECBINFHSA-N 1 1 194.282 1.394 10 0 ADAEMO CC(=O)[C@H]1CCOCC[N@@H+]1C(C)C 616655593 347155738 /nfs/dbraw/zinc/15/57/38/347155738.db2.gz HDEYXSCWRANRFZ-SNVBAGLBSA-N 1 1 185.267 1.075 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2cccnn2)C1 616654862 347155848 /nfs/dbraw/zinc/15/58/48/347155848.db2.gz QBOCQWDQBATWCL-SNVBAGLBSA-N 1 1 191.278 1.676 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](c2ncc[nH]2)C1 616654838 347155871 /nfs/dbraw/zinc/15/58/71/347155871.db2.gz OORWPOMFLHETLU-SNVBAGLBSA-N 1 1 193.294 1.999 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2cnno2)C1 616654909 347155885 /nfs/dbraw/zinc/15/58/85/347155885.db2.gz RYNYQIHCFALPTE-MRVPVSSYSA-N 1 1 181.239 1.269 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2nnc[nH]2)C1 616654850 347155994 /nfs/dbraw/zinc/15/59/94/347155994.db2.gz PDCVOTLFHWCIMA-MRVPVSSYSA-N 1 1 180.255 1.004 10 0 ADAEMO CO[C@H]1CCOCC[N@@H+]1C(C)C 616655618 347156027 /nfs/dbraw/zinc/15/60/27/347156027.db2.gz ICSNOFUWLSJVIO-VIFPVBQESA-N 1 1 173.256 1.090 10 0 ADAEMO CO[C@H]1CCOCC[N@H+]1C(C)C 616655618 347156030 /nfs/dbraw/zinc/15/60/30/347156030.db2.gz ICSNOFUWLSJVIO-VIFPVBQESA-N 1 1 173.256 1.090 10 0 ADAEMO C[N@@H+]1CCOCC[C@@H]1c1ccno1 616655530 347156045 /nfs/dbraw/zinc/15/60/45/347156045.db2.gz GCZZEOLMIGVXCL-MRVPVSSYSA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@H+]1CCOCC[C@@H]1c1ccno1 616655530 347156048 /nfs/dbraw/zinc/15/60/48/347156048.db2.gz GCZZEOLMIGVXCL-MRVPVSSYSA-N 1 1 182.223 1.068 10 0 ADAEMO CC[N@H+]1CCOCC[C@H]1C(C)C 616656100 347156242 /nfs/dbraw/zinc/15/62/42/347156242.db2.gz AHFDSDGNHRIKOI-JTQLQIEISA-N 1 1 171.284 1.753 10 0 ADAEMO C[N@H+]1CCOCC[C@H]1C(C)(C)C 616656281 347156259 /nfs/dbraw/zinc/15/62/59/347156259.db2.gz DUBKFCXAFOFMTE-VIFPVBQESA-N 1 1 171.284 1.753 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2cnoc2)C1 616656361 347156304 /nfs/dbraw/zinc/15/63/04/347156304.db2.gz WEWNHEBLMXHNEL-SECBINFHSA-N 1 1 180.251 1.874 10 0 ADAEMO CC(=O)[C@@H]1CCOCC[N@@H+]1C(C)C 616656059 347156394 /nfs/dbraw/zinc/15/63/94/347156394.db2.gz HDEYXSCWRANRFZ-JTQLQIEISA-N 1 1 185.267 1.075 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2ccncn2)C1 616656349 347156522 /nfs/dbraw/zinc/15/65/22/347156522.db2.gz WBJLYEYIXFYIQV-SNVBAGLBSA-N 1 1 191.278 1.676 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2ccno2)C1 616656261 347156556 /nfs/dbraw/zinc/15/65/56/347156556.db2.gz UVZJVUSZTGNSRY-SECBINFHSA-N 1 1 180.251 1.874 10 0 ADAEMO C[N@@H+]1CCOCC[C@@H]1c1cnco1 616655949 347156567 /nfs/dbraw/zinc/15/65/67/347156567.db2.gz NWKMAORLZFBBAF-MRVPVSSYSA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@H+]1CCOCC[C@@H]1c1cnco1 616655949 347156569 /nfs/dbraw/zinc/15/65/69/347156569.db2.gz NWKMAORLZFBBAF-MRVPVSSYSA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@@H+]1CCOCC[C@@H]1c1cnoc1 616656377 347156579 /nfs/dbraw/zinc/15/65/79/347156579.db2.gz UIUSUXMFDPKDRE-SECBINFHSA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@H+]1CCOCC[C@@H]1c1cnoc1 616656377 347156583 /nfs/dbraw/zinc/15/65/83/347156583.db2.gz UIUSUXMFDPKDRE-SECBINFHSA-N 1 1 182.223 1.068 10 0 ADAEMO C[C@H]1CCOCC[N@H+]1C(C)(C)C 616656440 347156592 /nfs/dbraw/zinc/15/65/92/347156592.db2.gz VMJKSBKKLPWFNH-VIFPVBQESA-N 1 1 171.284 1.896 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2cn[nH]n2)C1 616656446 347156655 /nfs/dbraw/zinc/15/66/55/347156655.db2.gz XTPKHYCDDSVGGL-MRVPVSSYSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@@H+]1CCCC[C@@H](c2c[nH]nn2)C1 616656446 347156659 /nfs/dbraw/zinc/15/66/59/347156659.db2.gz XTPKHYCDDSVGGL-MRVPVSSYSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2c[nH]nn2)C1 616656446 347156662 /nfs/dbraw/zinc/15/66/62/347156662.db2.gz XTPKHYCDDSVGGL-MRVPVSSYSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@@H+]1CCCC[C@@H](c2cnn[nH]2)C1 616656446 347156666 /nfs/dbraw/zinc/15/66/66/347156666.db2.gz XTPKHYCDDSVGGL-MRVPVSSYSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2cnn[nH]2)C1 616656446 347156671 /nfs/dbraw/zinc/15/66/71/347156671.db2.gz XTPKHYCDDSVGGL-MRVPVSSYSA-N 1 1 180.255 1.004 10 0 ADAEMO C[N@H+]1CCOCC[C@@H]1c1cccnc1 616655958 347156725 /nfs/dbraw/zinc/15/67/25/347156725.db2.gz OCSOFYZRJLDGQO-LLVKDONJSA-N 1 1 192.262 1.475 10 0 ADAEMO CC(C)[C@H]1CCOCC[N@H+]1C 616656272 347156737 /nfs/dbraw/zinc/15/67/37/347156737.db2.gz ROLCWQFCODMRCI-SECBINFHSA-N 1 1 157.257 1.363 10 0 ADAEMO CO[C@@H]1CCOCC[N@@H+]1C(C)C 616656081 347156759 /nfs/dbraw/zinc/15/67/59/347156759.db2.gz ICSNOFUWLSJVIO-SECBINFHSA-N 1 1 173.256 1.090 10 0 ADAEMO CO[C@@H]1CCOCC[N@H+]1C(C)C 616656081 347156762 /nfs/dbraw/zinc/15/67/62/347156762.db2.gz ICSNOFUWLSJVIO-SECBINFHSA-N 1 1 173.256 1.090 10 0 ADAEMO CC(C)(C)[N@H+]1CCCC[C@@H](C(N)=O)C1 616656280 347156861 /nfs/dbraw/zinc/15/68/61/347156861.db2.gz VEWAXFBUKHJVDM-SECBINFHSA-N 1 1 198.310 1.372 10 0 ADAEMO CO[C@H]1CCOCC[N@H+]1C(C)(C)C 616655929 347156869 /nfs/dbraw/zinc/15/68/69/347156869.db2.gz MYBMZYSETOVABQ-VIFPVBQESA-N 1 1 187.283 1.480 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](c2cn[nH]c2)C1 616656335 347156881 /nfs/dbraw/zinc/15/68/81/347156881.db2.gz VURYMUNAZFBJEA-SNVBAGLBSA-N 1 1 193.294 1.999 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](OC)C1 616656344 347156889 /nfs/dbraw/zinc/15/68/89/347156889.db2.gz VVPDEQPTRGTHRO-SECBINFHSA-N 1 1 157.257 1.507 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](CCO)C1 616656425 347156918 /nfs/dbraw/zinc/15/69/18/347156918.db2.gz XMYJNSAFNLQIOE-JTQLQIEISA-N 1 1 171.284 1.491 10 0 ADAEMO CC[N@@H+]1CCCC[C@@H](c2ccn[nH]2)C1 616656423 347156926 /nfs/dbraw/zinc/15/69/26/347156926.db2.gz XMRWTGVANLKRBS-SNVBAGLBSA-N 1 1 193.294 1.999 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](c2ccn[nH]2)C1 616656423 347156928 /nfs/dbraw/zinc/15/69/28/347156928.db2.gz XMRWTGVANLKRBS-SNVBAGLBSA-N 1 1 193.294 1.999 10 0 ADAEMO C[N@@H+]1CCOCC[C@H]1c1ccno1 616656347 347156932 /nfs/dbraw/zinc/15/69/32/347156932.db2.gz GCZZEOLMIGVXCL-QMMMGPOBSA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@H+]1CCOCC[C@H]1c1ccno1 616656347 347156934 /nfs/dbraw/zinc/15/69/34/347156934.db2.gz GCZZEOLMIGVXCL-QMMMGPOBSA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@H+]1CCOCC[C@@H]1c1ccccn1 616656005 347156939 /nfs/dbraw/zinc/15/69/39/347156939.db2.gz PRNCFIZVDPUIGZ-LLVKDONJSA-N 1 1 192.262 1.475 10 0 ADAEMO CC[N@@H+]1CCOCC[C@@H]1c1cnco1 616655662 347156953 /nfs/dbraw/zinc/15/69/53/347156953.db2.gz KJLWDQYHEMUMPT-SECBINFHSA-N 1 1 196.250 1.458 10 0 ADAEMO CC[N@H+]1CCOCC[C@@H]1c1cnco1 616655662 347156954 /nfs/dbraw/zinc/15/69/54/347156954.db2.gz KJLWDQYHEMUMPT-SECBINFHSA-N 1 1 196.250 1.458 10 0 ADAEMO CC(C)[N@H+]1CCCC[C@@H](CCO)C1 616656363 347156993 /nfs/dbraw/zinc/15/69/93/347156993.db2.gz WGOMSZJFQJRGKB-NSHDSACASA-N 1 1 185.311 1.879 10 0 ADAEMO CC[C@H]1CCOCC[N@H+]1C(C)C 616655953 347157012 /nfs/dbraw/zinc/15/70/12/347157012.db2.gz OASJDMJIPWXSNG-JTQLQIEISA-N 1 1 171.284 1.896 10 0 ADAEMO CC(=O)[C@@H]1CCOCC[N@H+]1C(C)(C)C 616655838 347157024 /nfs/dbraw/zinc/15/70/24/347157024.db2.gz FCMOUPGTCLMLJW-JTQLQIEISA-N 1 1 199.294 1.465 10 0 ADAEMO CO[C@@H]1CCOCC[N@H+]1C(C)(C)C 616656720 347157399 /nfs/dbraw/zinc/15/73/99/347157399.db2.gz MYBMZYSETOVABQ-SECBINFHSA-N 1 1 187.283 1.480 10 0 ADAEMO CC[C@@H]1CCOCC[N@H+]1C(C)C 616656797 347157532 /nfs/dbraw/zinc/15/75/32/347157532.db2.gz OASJDMJIPWXSNG-SNVBAGLBSA-N 1 1 171.284 1.896 10 0 ADAEMO CC[N@@H+]1CCOCC[C@H]1c1cnco1 616656924 347157588 /nfs/dbraw/zinc/15/75/88/347157588.db2.gz KJLWDQYHEMUMPT-VIFPVBQESA-N 1 1 196.250 1.458 10 0 ADAEMO CC[N@H+]1CCOCC[C@H]1c1cnco1 616656924 347157589 /nfs/dbraw/zinc/15/75/89/347157589.db2.gz KJLWDQYHEMUMPT-VIFPVBQESA-N 1 1 196.250 1.458 10 0 ADAEMO CC(C)(C)[N@H+]1CCCC[C@@H](CO)C1 616657139 347157621 /nfs/dbraw/zinc/15/76/21/347157621.db2.gz ZKQBDDHREIMFDZ-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO C[N@H+]1CCOCC[C@@H]1c1ccncc1 616656637 347157784 /nfs/dbraw/zinc/15/77/84/347157784.db2.gz WOVHCIQTEGXVNL-LLVKDONJSA-N 1 1 192.262 1.475 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](N(C)C)C1 616656480 347157829 /nfs/dbraw/zinc/15/78/29/347157829.db2.gz YJKHXOSVDOJJEZ-SNVBAGLBSA-N 1 1 170.300 1.422 10 0 ADAEMO CCN1CCCC[C@@H]([NH+](C)C)C1 616656480 347157830 /nfs/dbraw/zinc/15/78/30/347157830.db2.gz YJKHXOSVDOJJEZ-SNVBAGLBSA-N 1 1 170.300 1.422 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](c2conn2)C1 616656452 347157844 /nfs/dbraw/zinc/15/78/44/347157844.db2.gz XWLHACGSDWRRKR-SECBINFHSA-N 1 1 195.266 1.659 10 0 ADAEMO CC(C)[N@H+]1CCCC[C@@H](N(C)C)C1 616657136 347157854 /nfs/dbraw/zinc/15/78/54/347157854.db2.gz ZFHRHNBYBKZJIX-LLVKDONJSA-N 1 1 184.327 1.811 10 0 ADAEMO C[N@H+]1CCCC[C@@H](n2ccnc2)C1 616657126 347157977 /nfs/dbraw/zinc/15/79/77/347157977.db2.gz YUYIRRJCHUIUAJ-SNVBAGLBSA-N 1 1 179.267 1.540 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](n2ccnc2)C1 616657132 347158014 /nfs/dbraw/zinc/15/80/14/347158014.db2.gz YYZXMCQLWZBGSZ-LLVKDONJSA-N 1 1 193.294 1.930 10 0 ADAEMO C[N@H+]1CCCC[C@@H](c2ccon2)C1 616657135 347158081 /nfs/dbraw/zinc/15/80/81/347158081.db2.gz ZAKHHKNAOFOBBC-SECBINFHSA-N 1 1 180.251 1.874 10 0 ADAEMO CC[N@H+]1CCCC[C@@H](n2cccn2)C1 616657144 347158107 /nfs/dbraw/zinc/15/81/07/347158107.db2.gz ZRLBQSRCTKWZMK-LLVKDONJSA-N 1 1 193.294 1.930 10 0 ADAEMO C[N@H+]1CCOC[C@H](C(F)(F)F)C1 616658176 347158633 /nfs/dbraw/zinc/15/86/33/347158633.db2.gz KCDGYQWUUUROBU-ZCFIWIBFSA-N 1 1 183.173 1.127 10 0 ADAEMO C[N@@H+]1CCOCC[C@H]1c1cnco1 616657950 347158645 /nfs/dbraw/zinc/15/86/45/347158645.db2.gz NWKMAORLZFBBAF-QMMMGPOBSA-N 1 1 182.223 1.068 10 0 ADAEMO C[N@H+]1CCOCC[C@H]1c1cnco1 616657950 347158647 /nfs/dbraw/zinc/15/86/47/347158647.db2.gz NWKMAORLZFBBAF-QMMMGPOBSA-N 1 1 182.223 1.068 10 0 ADAEMO CC(C)[N@H+]1CCOC[C@H](F)C1 616658215 347158679 /nfs/dbraw/zinc/15/86/79/347158679.db2.gz CBVDKXXFPCNIPR-MRVPVSSYSA-N 1 1 161.220 1.065 10 0 ADAEMO C[N@H+]1CCOC[C@H](c2ccncc2)C1 616658239 347158749 /nfs/dbraw/zinc/15/87/49/347158749.db2.gz 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1.228 10 0 ADAEMO CC[C@@H](C)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 626037959 347295461 /nfs/dbraw/zinc/29/54/61/347295461.db2.gz LERKWIFEZRQTJA-BBBLOLIVSA-N 1 1 198.310 1.228 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCO[C@@H](CCF)C1 626004938 347295490 /nfs/dbraw/zinc/29/54/90/347295490.db2.gz QZUJVERCNKWZOO-ZJUUUORDSA-N 1 1 189.274 1.845 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 626015099 347295564 /nfs/dbraw/zinc/29/55/64/347295564.db2.gz IKGJJDBSMIRAPC-SDDRHHMPSA-N 1 1 197.322 1.879 10 0 ADAEMO CCCC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 626013034 347295575 /nfs/dbraw/zinc/29/55/75/347295575.db2.gz QDHUWQKNZKQQMN-NWDGAFQWSA-N 1 1 197.322 1.881 10 0 ADAEMO CCC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 626012838 347295601 /nfs/dbraw/zinc/29/56/01/347295601.db2.gz IULPDODUWMLAHT-WDEREUQCSA-N 1 1 183.295 1.491 10 0 ADAEMO CCCC[N@H+]1CCO[C@H](CCF)C1 626001141 347295626 /nfs/dbraw/zinc/29/56/26/347295626.db2.gz JKLCHBOVVYCHAV-SNVBAGLBSA-N 1 1 189.274 1.847 10 0 ADAEMO CCCCC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 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179.267 1.701 10 0 ADAEMO CC[C@H]1CC[N@H+]1Cc1cnc(C)o1 628293123 347314143 /nfs/dbraw/zinc/31/41/43/347314143.db2.gz MTHGHEVCTMNYRD-VIFPVBQESA-N 1 1 180.251 1.967 10 0 ADAEMO Cc1ncc(C[N@H+]2CC[C@H]2C2CC2)o1 628297781 347314481 /nfs/dbraw/zinc/31/44/81/347314481.db2.gz LHBZESZRICCXAK-NSHDSACASA-N 1 1 192.262 1.967 10 0 ADAEMO CC[C@@H](C)[N@H+](CCO)Cc1cocn1 628301713 347314553 /nfs/dbraw/zinc/31/45/53/347314553.db2.gz DFGCBKMKSCZZAH-SECBINFHSA-N 1 1 198.266 1.267 10 0 ADAEMO CC[C@@H](C)[N@@H+](CCO)Cc1cocn1 628301713 347314555 /nfs/dbraw/zinc/31/45/55/347314555.db2.gz DFGCBKMKSCZZAH-SECBINFHSA-N 1 1 198.266 1.267 10 0 ADAEMO Cc1ncc(C[N@H+]2CC[C@@H]2C2CC2)o1 628297780 347314567 /nfs/dbraw/zinc/31/45/67/347314567.db2.gz LHBZESZRICCXAK-LLVKDONJSA-N 1 1 192.262 1.967 10 0 ADAEMO Cc1c[nH]c(C[N@@H+]2CC[C@@H]2C2CC2)n1 628297892 347314614 /nfs/dbraw/zinc/31/46/14/347314614.db2.gz OZJZSYJTLVOBQE-SNVBAGLBSA-N 1 1 191.278 1.702 10 0 ADAEMO Cc1c[nH]c(C[N@H+]2CC[C@@H]2C2CC2)n1 628297892 347314619 /nfs/dbraw/zinc/31/46/19/347314619.db2.gz OZJZSYJTLVOBQE-SNVBAGLBSA-N 1 1 191.278 1.702 10 0 ADAEMO Cc1ncc(C[N@H+](C)[C@@H](C)CCO)o1 628326132 347314661 /nfs/dbraw/zinc/31/46/61/347314661.db2.gz RMUHSTIJLBBSNN-QMMMGPOBSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1ncc(C[N@H+](C)[C@H](C)CCO)o1 628326131 347314749 /nfs/dbraw/zinc/31/47/49/347314749.db2.gz RMUHSTIJLBBSNN-MRVPVSSYSA-N 1 1 198.266 1.186 10 0 ADAEMO CC[C@H](C)[N@H+](CCO)Cc1cocn1 628301714 347314867 /nfs/dbraw/zinc/31/48/67/347314867.db2.gz DFGCBKMKSCZZAH-VIFPVBQESA-N 1 1 198.266 1.267 10 0 ADAEMO CC[C@H](C)[N@@H+](CCO)Cc1cocn1 628301714 347314869 /nfs/dbraw/zinc/31/48/69/347314869.db2.gz DFGCBKMKSCZZAH-VIFPVBQESA-N 1 1 198.266 1.267 10 0 ADAEMO Cc1c[nH]c(C[N@@H+]2CC[C@H]2C2CC2)n1 628297891 347314904 /nfs/dbraw/zinc/31/49/04/347314904.db2.gz OZJZSYJTLVOBQE-JTQLQIEISA-N 1 1 191.278 1.702 10 0 ADAEMO Cc1c[nH]c(C[N@H+]2CC[C@H]2C2CC2)n1 628297891 347314906 /nfs/dbraw/zinc/31/49/06/347314906.db2.gz OZJZSYJTLVOBQE-JTQLQIEISA-N 1 1 191.278 1.702 10 0 ADAEMO c1nn[nH]c1C[NH2+][C@H]1CCCC12CC2 628363973 347315421 /nfs/dbraw/zinc/31/54/21/347315421.db2.gz GTJPUIFSYHUXLP-VIFPVBQESA-N 1 1 192.266 1.227 10 0 ADAEMO CC[C@@H]1CC[C@@H]1[NH2+]Cc1c[nH]nn1 628363628 347315458 /nfs/dbraw/zinc/31/54/58/347315458.db2.gz RNRYQANYFAZAMO-APPZFPTMSA-N 1 1 180.255 1.083 10 0 ADAEMO C[C@@H](CCC1CC1)[NH2+]Cc1c[nH]nn1 628363448 347315473 /nfs/dbraw/zinc/31/54/73/347315473.db2.gz KPXKEEUAISQKGO-QMMMGPOBSA-N 1 1 194.282 1.473 10 0 ADAEMO C[C@@H](CCC1CC1)[NH2+]Cc1cn[nH]n1 628363448 347315475 /nfs/dbraw/zinc/31/54/75/347315475.db2.gz KPXKEEUAISQKGO-QMMMGPOBSA-N 1 1 194.282 1.473 10 0 ADAEMO Cc1ncc(C[N@H+]2CC[C@H]3C[C@H]3C2)o1 628349927 347315511 /nfs/dbraw/zinc/31/55/11/347315511.db2.gz TURFJSHKOHDYNI-UWVGGRQHSA-N 1 1 192.262 1.825 10 0 ADAEMO CC[C@H]1CC[C@H]1[NH2+]Cc1c[nH]nn1 628363630 347315543 /nfs/dbraw/zinc/31/55/43/347315543.db2.gz RNRYQANYFAZAMO-IONNQARKSA-N 1 1 180.255 1.083 10 0 ADAEMO Cc1ncc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)o1 628349926 347315567 /nfs/dbraw/zinc/31/55/67/347315567.db2.gz TURFJSHKOHDYNI-NXEZZACHSA-N 1 1 192.262 1.825 10 0 ADAEMO CC1=CC[C@H]([NH2+]Cc2c[nH]nn2)CC1 628363542 347315610 /nfs/dbraw/zinc/31/56/10/347315610.db2.gz NSPUPKXHNMDXKR-VIFPVBQESA-N 1 1 192.266 1.393 10 0 ADAEMO CC1=CC[C@H]([NH2+]Cc2cn[nH]n2)CC1 628363542 347315613 /nfs/dbraw/zinc/31/56/13/347315613.db2.gz NSPUPKXHNMDXKR-VIFPVBQESA-N 1 1 192.266 1.393 10 0 ADAEMO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cnc(C)o1 628352765 347315656 /nfs/dbraw/zinc/31/56/56/347315656.db2.gz SXSBHWPFCMHTDW-ZJUUUORDSA-N 1 1 196.250 1.250 10 0 ADAEMO CC1=CC[C@@H]([NH2+]Cc2c[nH]nn2)CC1 628363541 347315685 /nfs/dbraw/zinc/31/56/85/347315685.db2.gz NSPUPKXHNMDXKR-SECBINFHSA-N 1 1 192.266 1.393 10 0 ADAEMO CC1=CC[C@@H]([NH2+]Cc2cn[nH]n2)CC1 628363541 347315688 /nfs/dbraw/zinc/31/56/88/347315688.db2.gz NSPUPKXHNMDXKR-SECBINFHSA-N 1 1 192.266 1.393 10 0 ADAEMO CC[C@@H]1CC[C@H]1[NH2+]Cc1c[nH]nn1 628363631 347315752 /nfs/dbraw/zinc/31/57/52/347315752.db2.gz RNRYQANYFAZAMO-VXNVDRBHSA-N 1 1 180.255 1.083 10 0 ADAEMO C[C@H](CCC1CC1)[NH2+]Cc1c[nH]nn1 628363447 347315801 /nfs/dbraw/zinc/31/58/01/347315801.db2.gz KPXKEEUAISQKGO-MRVPVSSYSA-N 1 1 194.282 1.473 10 0 ADAEMO C[C@H](CCC1CC1)[NH2+]Cc1cn[nH]n1 628363447 347315805 /nfs/dbraw/zinc/31/58/05/347315805.db2.gz KPXKEEUAISQKGO-MRVPVSSYSA-N 1 1 194.282 1.473 10 0 ADAEMO CC[C@H]1CC[C@@H]1[NH2+]Cc1c[nH]nn1 628363629 347315830 /nfs/dbraw/zinc/31/58/30/347315830.db2.gz RNRYQANYFAZAMO-CBAPKCEASA-N 1 1 180.255 1.083 10 0 ADAEMO c1nn[nH]c1C[NH2+][C@@H]1CCCC12CC2 628363972 347315869 /nfs/dbraw/zinc/31/58/69/347315869.db2.gz GTJPUIFSYHUXLP-SECBINFHSA-N 1 1 192.266 1.227 10 0 ADAEMO Cn1cccc1C[N@@H+]1C[C@H]2C[C@H]2C1 628408595 347316211 /nfs/dbraw/zinc/31/62/11/347316211.db2.gz DIFWUCDDKVBLGW-AOOOYVTPSA-N 1 1 176.263 1.477 10 0 ADAEMO c1ncc(C[N@@H+]2C[C@H]3C[C@H]3C2)s1 628408642 347316413 /nfs/dbraw/zinc/31/64/13/347316413.db2.gz DWLDXCIMZAELTM-OCAPTIKFSA-N 1 1 180.276 1.595 10 0 ADAEMO C1C[C@@H](C[N@@H+]2C[C@H]3C[C@H]3C2)CS1 628409979 347316768 /nfs/dbraw/zinc/31/67/68/347316768.db2.gz DAZCBZZXAKIJRV-LPEHRKFASA-N 1 1 183.320 1.691 10 0 ADAEMO C1C[C@H](C[N@@H+]2C[C@H]3C[C@H]3C2)CS1 628409978 347316821 /nfs/dbraw/zinc/31/68/21/347316821.db2.gz DAZCBZZXAKIJRV-BBBLOLIVSA-N 1 1 183.320 1.691 10 0 ADAEMO Cc1cnc(C[N@@H+]2C[C@H]3C[C@H]3C2)s1 628409867 347316838 /nfs/dbraw/zinc/31/68/38/347316838.db2.gz BAHLBVUTYMKYOE-DTORHVGOSA-N 1 1 194.303 1.903 10 0 ADAEMO c1nc(C[N@H+]2C[C@H]3C[C@H]3C2)co1 628409934 347316890 /nfs/dbraw/zinc/31/68/90/347316890.db2.gz CDDAWWIUJHWUKD-OCAPTIKFSA-N 1 1 164.208 1.126 10 0 ADAEMO c1nc(C[N@@H+]2C[C@H]3C[C@H]3C2)co1 628409934 347316894 /nfs/dbraw/zinc/31/68/94/347316894.db2.gz CDDAWWIUJHWUKD-OCAPTIKFSA-N 1 1 164.208 1.126 10 0 ADAEMO Cc1cnccc1C[N@@H+]1C[C@H]2C[C@H]2C1 628409928 347316914 /nfs/dbraw/zinc/31/69/14/347316914.db2.gz CBFGLEYTVJGBDA-TXEJJXNPSA-N 1 1 188.274 1.842 10 0 ADAEMO CCc1nocc1C[N@@H+]1C[C@H]2C[C@H]2C1 628410070 347317000 /nfs/dbraw/zinc/31/70/00/347317000.db2.gz FMMQSOYLWISPPX-DTORHVGOSA-N 1 1 192.262 1.689 10 0 ADAEMO CC[C@@H](C)C[N@@H+]1C[C@H]2C[C@H]2C1 628410073 347317026 /nfs/dbraw/zinc/31/70/26/347317026.db2.gz FMRISSNAYYDZCB-BBBLOLIVSA-N 1 1 153.269 1.984 10 0 ADAEMO CC[C@H](C)C[N@@H+]1C[C@H]2C[C@H]2C1 628410076 347317037 /nfs/dbraw/zinc/31/70/37/347317037.db2.gz FMRISSNAYYDZCB-LPEHRKFASA-N 1 1 153.269 1.984 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@H]3C[C@H]3C2)cn1 628408795 347317050 /nfs/dbraw/zinc/31/70/50/347317050.db2.gz HJTDBWOKDCJNMS-PHIMTYICSA-N 1 1 189.262 1.237 10 0 ADAEMO COC[C@@H](C)C[N@@H+]1C[C@H]2C[C@H]2C1 628410719 347317403 /nfs/dbraw/zinc/31/74/03/347317403.db2.gz QQWJWTXTCOSVDU-LPEHRKFASA-N 1 1 169.268 1.221 10 0 ADAEMO COC[C@H](C)C[N@@H+]1C[C@H]2C[C@H]2C1 628410718 347317414 /nfs/dbraw/zinc/31/74/14/347317414.db2.gz QQWJWTXTCOSVDU-BBBLOLIVSA-N 1 1 169.268 1.221 10 0 ADAEMO FC1(C[N@@H+]2C[C@H]3C[C@H]3C2)CC1 628410660 347317457 /nfs/dbraw/zinc/31/74/57/347317457.db2.gz PKELVSUENNWYAF-OCAPTIKFSA-N 1 1 155.216 1.440 10 0 ADAEMO Cc1nocc1C[N@@H+]1C[C@H]2C[C@H]2C1 628411124 347317510 /nfs/dbraw/zinc/31/75/10/347317510.db2.gz YYHSSBCXJHUASG-DTORHVGOSA-N 1 1 178.235 1.435 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2C[C@H]2C1 628410078 347317596 /nfs/dbraw/zinc/31/75/96/347317596.db2.gz FTXHPCJEIFIDIE-KYXWUPHJSA-N 1 1 151.253 1.594 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2C[C@H]2C1 628410079 347317652 /nfs/dbraw/zinc/31/76/52/347317652.db2.gz FTXHPCJEIFIDIE-RGOKHQFPSA-N 1 1 151.253 1.594 10 0 ADAEMO C/C=C/C[NH2+]Cc1cc(COC)on1 628460064 347318012 /nfs/dbraw/zinc/31/80/12/347318012.db2.gz FQQAUPNICLHFFM-ONEGZZNKSA-N 1 1 196.250 1.487 10 0 ADAEMO C[N@H+](Cc1cocn1)CC1(C)COC1 628424125 347318094 /nfs/dbraw/zinc/31/80/94/347318094.db2.gz ZAMJAMWRHKKSCN-UHFFFAOYSA-N 1 1 196.250 1.143 10 0 ADAEMO C[N@@H+](Cc1cocn1)CC1(C)COC1 628424125 347318096 /nfs/dbraw/zinc/31/80/96/347318096.db2.gz ZAMJAMWRHKKSCN-UHFFFAOYSA-N 1 1 196.250 1.143 10 0 ADAEMO CCC(F)(F)C[NH2+]C1CC(OC)C1 628435236 347318118 /nfs/dbraw/zinc/31/81/18/347318118.db2.gz CTINVVKWBYHCJY-UHFFFAOYSA-N 1 1 193.237 1.799 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@H]3C[C@H]3C2)n1C 628411400 347318143 /nfs/dbraw/zinc/31/81/43/347318143.db2.gz FQDFFSTULCSMCL-AOOOYVTPSA-N 1 1 191.278 1.180 10 0 ADAEMO Cc1ncc(C[N@@H+]2C[C@H]3C[C@H]3C2)o1 628411771 347318403 /nfs/dbraw/zinc/31/84/03/347318403.db2.gz NQZFVEWXPABDRO-DTORHVGOSA-N 1 1 178.235 1.435 10 0 ADAEMO C[N@H+](CC1(C)COC1)CC1(F)CC1 628424091 347318465 /nfs/dbraw/zinc/31/84/65/347318465.db2.gz XZKJBTWIVYEHAZ-UHFFFAOYSA-N 1 1 187.258 1.457 10 0 ADAEMO C/C=C\C[NH2+]Cc1cc(COC)on1 628460063 347318481 /nfs/dbraw/zinc/31/84/81/347318481.db2.gz FQQAUPNICLHFFM-ARJAWSKDSA-N 1 1 196.250 1.487 10 0 ADAEMO C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C 629030734 347325328 /nfs/dbraw/zinc/32/53/28/347325328.db2.gz GUKDJTNIWRGQGL-BYIQDMNASA-N 1 1 196.294 1.019 10 0 ADAEMO C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C 629030735 347325409 /nfs/dbraw/zinc/32/54/09/347325409.db2.gz GUKDJTNIWRGQGL-NUNSBDKSSA-N 1 1 196.294 1.019 10 0 ADAEMO C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 629032599 347326985 /nfs/dbraw/zinc/32/69/85/347326985.db2.gz OCKPDSBTJTXUHD-FSIBCCDJSA-N 1 1 196.294 1.021 10 0 ADAEMO C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 629032603 347327017 /nfs/dbraw/zinc/32/70/17/347327017.db2.gz OCKPDSBTJTXUHD-XOULXFPDSA-N 1 1 196.294 1.021 10 0 ADAEMO C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 629032601 347327032 /nfs/dbraw/zinc/32/70/32/347327032.db2.gz OCKPDSBTJTXUHD-UMBAGQNISA-N 1 1 196.294 1.021 10 0 ADAEMO C/C=C\CNC(=O)C[NH+]1CC(C)(C)C1 629033984 347328063 /nfs/dbraw/zinc/32/80/63/347328063.db2.gz ZUHJUXRPAYGTCI-PLNGDYQASA-N 1 1 196.294 1.021 10 0 ADAEMO C/C=C/CNC(=O)C[NH+]1CC(C)(C)C1 629033986 347328134 /nfs/dbraw/zinc/32/81/34/347328134.db2.gz ZUHJUXRPAYGTCI-SNAWJCMRSA-N 1 1 196.294 1.021 10 0 ADAEMO C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C 629035336 347329219 /nfs/dbraw/zinc/32/92/19/347329219.db2.gz RJCGIIXCBFLPMW-XOULXFPDSA-N 1 1 196.294 1.163 10 0 ADAEMO C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C 629035333 347329661 /nfs/dbraw/zinc/32/96/61/347329661.db2.gz RJCGIIXCBFLPMW-FSIBCCDJSA-N 1 1 196.294 1.163 10 0 ADAEMO C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C 629035335 347329672 /nfs/dbraw/zinc/32/96/72/347329672.db2.gz RJCGIIXCBFLPMW-UMBAGQNISA-N 1 1 196.294 1.163 10 0 ADAEMO C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C 629035334 347329687 /nfs/dbraw/zinc/32/96/87/347329687.db2.gz RJCGIIXCBFLPMW-HMDXOVGESA-N 1 1 196.294 1.163 10 0 ADAEMO C/C=C\CNC(=O)C[N@H+](CC)C1CC1 629041569 347332770 /nfs/dbraw/zinc/33/27/70/347332770.db2.gz XPZFAOWKDFDEGW-HYXAFXHYSA-N 1 1 196.294 1.163 10 0 ADAEMO C/C=C/CNC(=O)C[N@H+](CC)C1CC1 629041568 347332990 /nfs/dbraw/zinc/33/29/90/347332990.db2.gz XPZFAOWKDFDEGW-HWKANZROSA-N 1 1 196.294 1.163 10 0 ADAEMO C/C=C\CNC(=O)C[N@@H+](C)C(C)C 629043999 347333312 /nfs/dbraw/zinc/33/33/12/347333312.db2.gz TXBGSEQITWBUIE-WAYWQWQTSA-N 1 1 184.283 1.019 10 0 ADAEMO C/C=C/CNC(=O)C[N@@H+](C)C(C)C 629043998 347333358 /nfs/dbraw/zinc/33/33/58/347333358.db2.gz TXBGSEQITWBUIE-AATRIKPKSA-N 1 1 184.283 1.019 10 0 ADAEMO C/C=C/CNC(=O)C[N@H+](C)CCC 629042713 347333380 /nfs/dbraw/zinc/33/33/80/347333380.db2.gz KBUXGMBCXCATKZ-GQCTYLIASA-N 1 1 184.283 1.021 10 0 ADAEMO C/C=C\CNC(=O)C[N@H+](C)CCC 629042714 347333422 /nfs/dbraw/zinc/33/34/22/347333422.db2.gz KBUXGMBCXCATKZ-XQRVVYSFSA-N 1 1 184.283 1.021 10 0 ADAEMO Cc1[nH+]cn(CCc2cnoc2)c1C 629163936 347335816 /nfs/dbraw/zinc/33/58/16/347335816.db2.gz DZISBUUJWXSVBC-UHFFFAOYSA-N 1 1 191.234 1.731 10 0 ADAEMO Cc1[nH+]ccn1CCc1cnoc1 629167270 347335913 /nfs/dbraw/zinc/33/59/13/347335913.db2.gz FQXIBBBNOIDQNH-UHFFFAOYSA-N 1 1 177.207 1.422 10 0 ADAEMO CCC(F)(F)C[NH2+]CC(C)(C)O 629260963 347338529 /nfs/dbraw/zinc/33/85/29/347338529.db2.gz ASRFAURLHKUWOC-UHFFFAOYSA-N 1 1 181.226 1.392 10 0 ADAEMO C1CC2(C1)[NH2+]CC[C@@H]2NCC1CC1 629385880 347341897 /nfs/dbraw/zinc/34/18/97/347341897.db2.gz AQXRAPOZKYLPBP-JTQLQIEISA-N 1 1 180.295 1.271 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@@H](C)C1 629390296 347341926 /nfs/dbraw/zinc/34/19/26/347341926.db2.gz DNXHUXMWQFJGHS-WISYIIOYSA-N 1 1 196.338 1.905 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1C 629390153 347341938 /nfs/dbraw/zinc/34/19/38/347341938.db2.gz LLXTWEWDEFCHSR-WRWGMCAJSA-N 1 1 196.338 1.905 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1C 629390151 347341943 /nfs/dbraw/zinc/34/19/43/347341943.db2.gz LLXTWEWDEFCHSR-NNYUYHANSA-N 1 1 196.338 1.905 10 0 ADAEMO CC1CCC(N[C@@H]2CC[NH2+][C@H]2C)CC1 629405001 347341964 /nfs/dbraw/zinc/34/19/64/347341964.db2.gz FSQUHIYMHVBHTR-POSLAHMBSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1NCC1CCCCC1 629405004 347342020 /nfs/dbraw/zinc/34/20/20/347342020.db2.gz FTGBPYBSMOGCCM-CMPLNLGQSA-N 1 1 196.338 1.907 10 0 ADAEMO C1CC2(C1)[NH2+]CC[C@H]2NCC1CC1 629385881 347342002 /nfs/dbraw/zinc/34/20/02/347342002.db2.gz AQXRAPOZKYLPBP-SNVBAGLBSA-N 1 1 180.295 1.271 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1NCC1CC1 629390686 347342055 /nfs/dbraw/zinc/34/20/55/347342055.db2.gz MANJQVYZOSVSDN-VHSXEESVSA-N 1 1 168.284 1.127 10 0 ADAEMO CCCC[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C 629404630 347342069 /nfs/dbraw/zinc/34/20/69/347342069.db2.gz APCRXNMKBUWDIA-OUAUKWLOSA-N 1 1 184.327 1.905 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[C@@H](C)C1 629390294 347342102 /nfs/dbraw/zinc/34/21/02/347342102.db2.gz DNXHUXMWQFJGHS-NOOOWODRSA-N 1 1 196.338 1.905 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@@H]1C 629390150 347342158 /nfs/dbraw/zinc/34/21/58/347342158.db2.gz LLXTWEWDEFCHSR-FIQHERPVSA-N 1 1 196.338 1.905 10 0 ADAEMO CC(C)C[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C 629404720 347342170 /nfs/dbraw/zinc/34/21/70/347342170.db2.gz CLHRCQYSLYSRBT-OUAUKWLOSA-N 1 1 184.327 1.761 10 0 ADAEMO CCC[C@H](C)N[C@@H]1CC[NH2+][C@H]1CC 629390667 347342230 /nfs/dbraw/zinc/34/22/30/347342230.db2.gz LDVGDNVIPDBDAK-GARJFASQSA-N 1 1 184.327 1.905 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@H](C)C1 629390295 347342244 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DNXHUXMWQFJGHS-FIQHERPVSA-N 1 1 196.338 1.905 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@H]1C 629390152 347342391 /nfs/dbraw/zinc/34/23/91/347342391.db2.gz LLXTWEWDEFCHSR-NOOOWODRSA-N 1 1 196.338 1.905 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1NCC(C)C 629405858 347342936 /nfs/dbraw/zinc/34/29/36/347342936.db2.gz VUHIKCFPGYSSRI-VHSXEESVSA-N 1 1 170.300 1.373 10 0 ADAEMO C[C@H]1CCC[C@H]1N[C@@H]1CC[NH2+][C@H]1C 629405647 347343564 /nfs/dbraw/zinc/34/35/64/347343564.db2.gz DCAPSMKFXMWHFZ-UKKRHICBSA-N 1 1 182.311 1.515 10 0 ADAEMO CCC[C@H](CC)N[C@@H]1CC[NH2+][C@H]1C 629406585 347342828 /nfs/dbraw/zinc/34/28/28/347342828.db2.gz OITMGUQMIXDZGP-GARJFASQSA-N 1 1 184.327 1.905 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@H](C)CC1CC1 629408393 347342837 /nfs/dbraw/zinc/34/28/37/347342837.db2.gz USHMPQORNMDWTP-WCABBAIRSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[C@H]1C 629407046 347342846 /nfs/dbraw/zinc/34/28/46/347342846.db2.gz VYLTWYZKSAKYPO-WRWGMCAJSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1C 629405646 347342876 /nfs/dbraw/zinc/34/28/76/347342876.db2.gz DCAPSMKFXMWHFZ-LMLFDSFASA-N 1 1 182.311 1.515 10 0 ADAEMO CCC[C@@H](CC)N[C@@H]1CC[NH2+][C@H]1C 629406586 347342903 /nfs/dbraw/zinc/34/29/03/347342903.db2.gz OITMGUQMIXDZGP-HBNTYKKESA-N 1 1 184.327 1.905 10 0 ADAEMO C[C@H]1CCC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C1 629406131 347342913 /nfs/dbraw/zinc/34/29/13/347342913.db2.gz OCDQDNMHRGIZMR-NNYUYHANSA-N 1 1 196.338 1.905 10 0 ADAEMO CCC(CC)CN[C@@H]1CC[NH2+][C@H]1C 629405480 347342947 /nfs/dbraw/zinc/34/29/47/347342947.db2.gz BSGZBZWVFDCRRT-GXSJLCMTSA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H](C)C1 629406134 347342956 /nfs/dbraw/zinc/34/29/56/347342956.db2.gz OCDQDNMHRGIZMR-WRWGMCAJSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@H]1CCCC[C@H]1N[C@@H]1CC[NH2+][C@H]1C 629407044 347343005 /nfs/dbraw/zinc/34/30/05/347343005.db2.gz VYLTWYZKSAKYPO-NNYUYHANSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+][C@H]1C 629407043 347343020 /nfs/dbraw/zinc/34/30/20/347343020.db2.gz VYLTWYZKSAKYPO-FIQHERPVSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC(C)(C)C1 629408092 347343036 /nfs/dbraw/zinc/34/30/36/347343036.db2.gz QBSCIEOAJVTTRZ-GARJFASQSA-N 1 1 196.338 1.905 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1NC1CCCC1 629405896 347343050 /nfs/dbraw/zinc/34/30/50/347343050.db2.gz XEHMIWGCIHENHT-WDEREUQCSA-N 1 1 182.311 1.659 10 0 ADAEMO CCC[C@H](C)CN[C@@H]1CC[NH2+][C@H]1C 629407126 347343097 /nfs/dbraw/zinc/34/30/97/347343097.db2.gz VEGQFEGDZLYICF-GARJFASQSA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@H]1C 629405648 347343111 /nfs/dbraw/zinc/34/31/11/347343111.db2.gz DCAPSMKFXMWHFZ-VPOLOUISSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@H]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2C)C1 629405404 347343148 /nfs/dbraw/zinc/34/31/48/347343148.db2.gz ACVVBRMLIXVQAB-XWLWVQCSSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCC[C@H]1C 629407045 347343177 /nfs/dbraw/zinc/34/31/77/347343177.db2.gz VYLTWYZKSAKYPO-NOOOWODRSA-N 1 1 196.338 1.905 10 0 ADAEMO CCC[C@H](C)CN[C@@H]1CC[NH2+]C1 629408434 347343191 /nfs/dbraw/zinc/34/31/91/347343191.db2.gz PGZKLCLIGLRSSM-VHSXEESVSA-N 1 1 170.300 1.374 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@H](C)CC1CCC1 629408192 347343203 /nfs/dbraw/zinc/34/32/03/347343203.db2.gz RITQSMDMHCFWOR-JFGNBEQYSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCC1(C)C 629407756 347343222 /nfs/dbraw/zinc/34/32/22/347343222.db2.gz JZXSYCLABNMHMN-AXFHLTTASA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@H]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C1 629405402 347343240 /nfs/dbraw/zinc/34/32/40/347343240.db2.gz ACVVBRMLIXVQAB-UKKRHICBSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1NCC(C)(C)C 629407345 347343266 /nfs/dbraw/zinc/34/32/66/347343266.db2.gz YHDPJTMGYHGZLH-DTWKUNHWSA-N 1 1 170.300 1.373 10 0 ADAEMO CCC[C@@H](C)CN[C@@H]1CC[NH2+]C1 629408432 347343318 /nfs/dbraw/zinc/34/33/18/347343318.db2.gz PGZKLCLIGLRSSM-NXEZZACHSA-N 1 1 170.300 1.374 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@@H](C)C1 629406132 347343352 /nfs/dbraw/zinc/34/33/52/347343352.db2.gz OCDQDNMHRGIZMR-NOOOWODRSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@H]1CCC[C@H](N[C@@H]2CC[NH2+][C@H]2C)C1 629406130 347343428 /nfs/dbraw/zinc/34/34/28/347343428.db2.gz OCDQDNMHRGIZMR-FIQHERPVSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@@H](C)C1 629405401 347343471 /nfs/dbraw/zinc/34/34/71/347343471.db2.gz ACVVBRMLIXVQAB-LMLFDSFASA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC1(C)C 629407757 347343489 /nfs/dbraw/zinc/34/34/89/347343489.db2.gz JZXSYCLABNMHMN-HBNTYKKESA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@@H](CC1CC1)N[C@@H]1CC[NH2+][C@H]1C 629408391 347343546 /nfs/dbraw/zinc/34/35/46/347343546.db2.gz USHMPQORNMDWTP-ATZCPNFKSA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H](CC1CCC1)N[C@@H]1CC[NH2+][C@H]1C 629408190 347343555 /nfs/dbraw/zinc/34/35/55/347343555.db2.gz RITQSMDMHCFWOR-JBLDHEPKSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@H]1CCC[C@@H]1N[C@@H]1CC[NH2+][C@H]1C 629405649 347343576 /nfs/dbraw/zinc/34/35/76/347343576.db2.gz DCAPSMKFXMWHFZ-XWLWVQCSSA-N 1 1 182.311 1.515 10 0 ADAEMO CCC[C@@H](C)CN[C@@H]1CC[NH2+][C@H]1C 629407127 347343604 /nfs/dbraw/zinc/34/36/04/347343604.db2.gz VEGQFEGDZLYICF-OUAUKWLOSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C 629405400 347343619 /nfs/dbraw/zinc/34/36/19/347343619.db2.gz ABQCFWUOCZPJRS-KXUCPTDWSA-N 1 1 170.300 1.515 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC(C)(C)C1 629408093 347343629 /nfs/dbraw/zinc/34/36/29/347343629.db2.gz QBSCIEOAJVTTRZ-HBNTYKKESA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[C@@H](C)C1 629405403 347343640 /nfs/dbraw/zinc/34/36/40/347343640.db2.gz ACVVBRMLIXVQAB-VPOLOUISSA-N 1 1 182.311 1.515 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C1CC1 629523848 347344961 /nfs/dbraw/zinc/34/49/61/347344961.db2.gz JYGYODONEZMFRV-INTQDDNPSA-N 1 1 182.311 1.515 10 0 ADAEMO 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CC(C)C[N@H+]1CC(C)(C)NC[C@H]1C 41202850 351517424 /nfs/dbraw/zinc/51/74/24/351517424.db2.gz PPLUGFQKBVPBJB-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1C(C)(C)C 41167321 351517546 /nfs/dbraw/zinc/51/75/46/351517546.db2.gz YOHIRKLTNQUQSH-MRVPVSSYSA-N 1 1 156.273 1.079 10 0 ADAEMO C[C@@H]1C[NH2+]CCN1C(C)(C)C 41167321 351517549 /nfs/dbraw/zinc/51/75/49/351517549.db2.gz YOHIRKLTNQUQSH-MRVPVSSYSA-N 1 1 156.273 1.079 10 0 ADAEMO C[C@@H]1CNC(C)(C)C[N@H+]1C(C)(C)C 41202862 351517642 /nfs/dbraw/zinc/51/76/42/351517642.db2.gz DXHVLPRMPMTZBJ-SECBINFHSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2N)C1 41664122 351518898 /nfs/dbraw/zinc/51/88/98/351518898.db2.gz KRHXXNOEGGWOAM-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCC[C@]([NH3+])(c2nc[nH]n2)C1 42040689 351519967 /nfs/dbraw/zinc/51/99/67/351519967.db2.gz URZLNNQAROQRSF-VXNVDRBHSA-N 1 1 180.255 1.169 10 0 ADAEMO C[C@@H]1CCC[C@@]([NH3+])(c2nc[nH]n2)C1 42040695 351520252 /nfs/dbraw/zinc/52/02/52/351520252.db2.gz URZLNNQAROQRSF-APPZFPTMSA-N 1 1 180.255 1.169 10 0 ADAEMO OCCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 42251513 351520776 /nfs/dbraw/zinc/52/07/76/351520776.db2.gz ZTVUDCZPHHBLJB-GHMZBOCLSA-N 1 1 199.294 1.012 10 0 ADAEMO OCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 42251527 351520956 /nfs/dbraw/zinc/52/09/56/351520956.db2.gz ZTVUDCZPHHBLJB-QWRGUYRKSA-N 1 1 199.294 1.012 10 0 ADAEMO OCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 42251522 351521376 /nfs/dbraw/zinc/52/13/76/351521376.db2.gz ZTVUDCZPHHBLJB-WDEREUQCSA-N 1 1 199.294 1.012 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CCCCC[C@@H]2N)C1 42372045 351521469 /nfs/dbraw/zinc/52/14/69/351521469.db2.gz LALVMKILLWCYOM-GRYCIOLGSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2)C1 42278896 351521507 /nfs/dbraw/zinc/52/15/07/351521507.db2.gz JWSRDHAROOKJKG-NXEZZACHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H]2CCCNC2)C1 42278896 351521511 /nfs/dbraw/zinc/52/15/11/351521511.db2.gz JWSRDHAROOKJKG-NXEZZACHSA-N 1 1 168.284 1.080 10 0 ADAEMO OCCC[N@H+]1CCO[C@H]2CCCC[C@H]21 42251518 351521545 /nfs/dbraw/zinc/52/15/45/351521545.db2.gz ZTVUDCZPHHBLJB-MNOVXSKESA-N 1 1 199.294 1.012 10 0 ADAEMO CC(C)(O)C[N@H+]1CCCSCC1 42444434 351522371 /nfs/dbraw/zinc/52/23/71/351522371.db2.gz NTLUIRCTCFDPAJ-UHFFFAOYSA-N 1 1 189.324 1.196 10 0 ADAEMO C[N@@H+](CC1CC1)[C@H]1CCCNC1 43501336 351529789 /nfs/dbraw/zinc/52/97/89/351529789.db2.gz GRLAGVTXOMGKSG-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO C[N@H+](CC1CC1)[C@@H]1CCCNC1 43501335 351529431 /nfs/dbraw/zinc/52/94/31/351529431.db2.gz GRLAGVTXOMGKSG-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO C[N@@H+](CC1CC1)[C@@H]1CCCNC1 43501335 351529435 /nfs/dbraw/zinc/52/94/35/351529435.db2.gz GRLAGVTXOMGKSG-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO C[N@H+](CC1CC1)[C@H]1CCCNC1 43501336 351529786 /nfs/dbraw/zinc/52/97/86/351529786.db2.gz GRLAGVTXOMGKSG-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO CC[C@@H](C(N)=S)[N@H+]1CCC[C@@H]1C 43539988 351530795 /nfs/dbraw/zinc/53/07/95/351530795.db2.gz VAEDVFICEOLBEV-YUMQZZPRSA-N 1 1 186.324 1.535 10 0 ADAEMO CCSc1cc(N)cc[nH+]1 43569702 351532312 /nfs/dbraw/zinc/53/23/12/351532312.db2.gz XNWVUYBGFGDAKN-UHFFFAOYSA-N 1 1 154.238 1.776 10 0 ADAEMO CC(C)C[N@@H+](C)CC[C@@H](C)O 44129887 351536492 /nfs/dbraw/zinc/53/64/92/351536492.db2.gz FZFFWTQCQZQSDR-SECBINFHSA-N 1 1 159.273 1.345 10 0 ADAEMO C[C@@H]([C@@H](C)O)[N@@H+](C)C1CCCC1 44128823 351536647 /nfs/dbraw/zinc/53/66/47/351536647.db2.gz XMKICZXSYHNQNV-DTWKUNHWSA-N 1 1 171.284 1.630 10 0 ADAEMO CC(C)C[N@@H+](C)CC[C@H](C)O 44129893 351536837 /nfs/dbraw/zinc/53/68/37/351536837.db2.gz FZFFWTQCQZQSDR-VIFPVBQESA-N 1 1 159.273 1.345 10 0 ADAEMO CC(C)C[N@H+]1C[C@H](N)CC[C@H]1C 44374245 351537287 /nfs/dbraw/zinc/53/72/87/351537287.db2.gz MURLRJHBRRMWKV-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)CN1C[C@H]([NH3+])CC[C@H]1C 44374245 351537291 /nfs/dbraw/zinc/53/72/91/351537291.db2.gz MURLRJHBRRMWKV-NXEZZACHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)C[N@H+]1C[C@@H](N)CC[C@H]1C 44374236 351537517 /nfs/dbraw/zinc/53/75/17/351537517.db2.gz MURLRJHBRRMWKV-ZJUUUORDSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)CN1C[C@@H]([NH3+])CC[C@H]1C 44374236 351537521 /nfs/dbraw/zinc/53/75/21/351537521.db2.gz MURLRJHBRRMWKV-ZJUUUORDSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)C[N@H+]1C[C@@H](N)CC[C@@H]1C 44374241 351537535 /nfs/dbraw/zinc/53/75/35/351537535.db2.gz MURLRJHBRRMWKV-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)CN1C[C@@H]([NH3+])CC[C@@H]1C 44374241 351537538 /nfs/dbraw/zinc/53/75/38/351537538.db2.gz MURLRJHBRRMWKV-UWVGGRQHSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)C[N@H+]1C[C@H](N)CC[C@@H]1C 44374250 351537745 /nfs/dbraw/zinc/53/77/45/351537745.db2.gz MURLRJHBRRMWKV-VHSXEESVSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)CN1C[C@H]([NH3+])CC[C@@H]1C 44374250 351537746 /nfs/dbraw/zinc/53/77/46/351537746.db2.gz MURLRJHBRRMWKV-VHSXEESVSA-N 1 1 170.300 1.454 10 0 ADAEMO CCSc1ccc([C@H]([NH3+])CN)cc1 44472731 351538608 /nfs/dbraw/zinc/53/86/08/351538608.db2.gz VVVSBJDIVTYRTP-SNVBAGLBSA-N 1 1 196.319 1.757 10 0 ADAEMO CCSc1ccc([C@@H]([NH3+])CN)cc1 44472734 351538895 /nfs/dbraw/zinc/53/88/95/351538895.db2.gz VVVSBJDIVTYRTP-JTQLQIEISA-N 1 1 196.319 1.757 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCC[C@@H]1CN 44540311 351539778 /nfs/dbraw/zinc/53/97/78/351539778.db2.gz CLGKGBYAKDCYBQ-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO CCCC[N@H+]1CCC(=O)[C@H](C)C1 49693430 351548284 /nfs/dbraw/zinc/54/82/84/351548284.db2.gz NETLHCNKNRKRLD-SECBINFHSA-N 1 1 169.268 1.697 10 0 ADAEMO C[C@@H]1C[N@@H+](CC2CC2)CCC1=O 49693398 351548326 /nfs/dbraw/zinc/54/83/26/351548326.db2.gz KXEPQZJJGMDELK-MRVPVSSYSA-N 1 1 167.252 1.307 10 0 ADAEMO C[C@@H]1C[N@H+](C2CCCC2)CCC1=O 49693580 351548423 /nfs/dbraw/zinc/54/84/23/351548423.db2.gz VEBNYTGIDZDGMP-SECBINFHSA-N 1 1 181.279 1.840 10 0 ADAEMO C[C@H]1C[N@@H+](CC2CC2)CCC1=O 49693399 351548577 /nfs/dbraw/zinc/54/85/77/351548577.db2.gz KXEPQZJJGMDELK-QMMMGPOBSA-N 1 1 167.252 1.307 10 0 ADAEMO CC(C)[N@H+]1CCC(=O)[C@@H](C)C1 49693403 351548616 /nfs/dbraw/zinc/54/86/16/351548616.db2.gz CWBJJULQPPTXMO-QMMMGPOBSA-N 1 1 155.241 1.306 10 0 ADAEMO CCC[N@H+]1CCC(=O)[C@H](C)C1 49693584 351548645 /nfs/dbraw/zinc/54/86/45/351548645.db2.gz DOAKYXUISRBDIH-MRVPVSSYSA-N 1 1 155.241 1.307 10 0 ADAEMO CCC[N@H+]1CCC(=O)C[C@H]1C 49709120 351548700 /nfs/dbraw/zinc/54/87/00/351548700.db2.gz ICDIGLKXMIDVPW-MRVPVSSYSA-N 1 1 155.241 1.450 10 0 ADAEMO CC(C)CC[N@H+]1CCC(=O)[C@@H](C)C1 49693435 351548775 /nfs/dbraw/zinc/54/87/75/351548775.db2.gz WHLCJHYMXICFBZ-JTQLQIEISA-N 1 1 183.295 1.943 10 0 ADAEMO CCC[N@H+]1CCC(=O)C[C@@H]1C 49709118 351548796 /nfs/dbraw/zinc/54/87/96/351548796.db2.gz ICDIGLKXMIDVPW-QMMMGPOBSA-N 1 1 155.241 1.450 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 49693552 351548805 /nfs/dbraw/zinc/54/88/05/351548805.db2.gz ZYBBQKDRQIEEHY-RKDXNWHRSA-N 1 1 169.268 1.696 10 0 ADAEMO CCCC[N@H+]1CCC(=O)[C@@H](C)C1 49693431 351548887 /nfs/dbraw/zinc/54/88/87/351548887.db2.gz NETLHCNKNRKRLD-VIFPVBQESA-N 1 1 169.268 1.697 10 0 ADAEMO C[C@H]1C[N@H+](C2CCCC2)CCC1=O 49693581 351548983 /nfs/dbraw/zinc/54/89/83/351548983.db2.gz VEBNYTGIDZDGMP-VIFPVBQESA-N 1 1 181.279 1.840 10 0 ADAEMO CC[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 49693553 351549111 /nfs/dbraw/zinc/54/91/11/351549111.db2.gz ZYBBQKDRQIEEHY-BDAKNGLRSA-N 1 1 169.268 1.696 10 0 ADAEMO CC(C)[N@H+]1CCC(=O)[C@H](C)C1 49693402 351549205 /nfs/dbraw/zinc/54/92/05/351549205.db2.gz CWBJJULQPPTXMO-MRVPVSSYSA-N 1 1 155.241 1.306 10 0 ADAEMO CCC[N@H+]1CCC(=O)[C@@H](C)C1 49693585 351549218 /nfs/dbraw/zinc/54/92/18/351549218.db2.gz DOAKYXUISRBDIH-QMMMGPOBSA-N 1 1 155.241 1.307 10 0 ADAEMO OC[C@H]1CCC[N@H+]1C1CCCCC1 50113560 351551482 /nfs/dbraw/zinc/55/14/82/351551482.db2.gz YLYZWKDFKDOVKR-LLVKDONJSA-N 1 1 183.295 1.776 10 0 ADAEMO OC[C@@H]1CCCC[N@H+]1C1CCCC1 50104201 351551669 /nfs/dbraw/zinc/55/16/69/351551669.db2.gz UCDSPEBMOMWVFA-NSHDSACASA-N 1 1 183.295 1.776 10 0 ADAEMO OC[C@@H]1CCC[N@H+]1C1CCCCC1 50113563 351551800 /nfs/dbraw/zinc/55/18/00/351551800.db2.gz YLYZWKDFKDOVKR-NSHDSACASA-N 1 1 183.295 1.776 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCC[C@@H]1CO 50113564 351551958 /nfs/dbraw/zinc/55/19/58/351551958.db2.gz XOWRPMSWKSXAGD-RKDXNWHRSA-N 1 1 157.257 1.242 10 0 ADAEMO OC[C@H]1CCCC[N@H+]1C1CCCC1 50104200 351552139 /nfs/dbraw/zinc/55/21/39/351552139.db2.gz UCDSPEBMOMWVFA-LLVKDONJSA-N 1 1 183.295 1.776 10 0 ADAEMO C[C@@H]1CCC[N@H+]1[C@@H](CN)C1CCCC1 50272224 351552956 /nfs/dbraw/zinc/55/29/56/351552956.db2.gz SWEMBZUZADYRIT-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1CC[N@H+]([C@@H](CN)C2CCCC2)C1 50272236 351552963 /nfs/dbraw/zinc/55/29/63/351552963.db2.gz FLUVELWHNPUAJS-PWSUYJOCSA-N 1 1 196.338 1.846 10 0 ADAEMO CCOc1ccc(C)[nH+]c1N 50440844 351554229 /nfs/dbraw/zinc/55/42/29/351554229.db2.gz LWYZLVDQESKPIC-UHFFFAOYSA-N 1 1 152.197 1.371 10 0 ADAEMO C[C@@H]1CCC[N@@H+](CCN)[C@@H]1C 50563272 351554491 /nfs/dbraw/zinc/55/44/91/351554491.db2.gz SAUMMFLMOYXBTH-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H]1CCC[N@H+](C(C)(C)CN)[C@@H]1C 50563976 351554447 /nfs/dbraw/zinc/55/44/47/351554447.db2.gz MKEYBDQWKRNUTN-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1CCCN(CC[NH3+])[C@@H]1C 50563272 351554493 /nfs/dbraw/zinc/55/44/93/351554493.db2.gz SAUMMFLMOYXBTH-RKDXNWHRSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@@H]1CCC[N@H+](C2CCNCC2)[C@@H]1C 50564940 351554615 /nfs/dbraw/zinc/55/46/15/351554615.db2.gz RUURRMMCDZBDMI-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H]1CCC[N@@H+](C2CCNCC2)[C@@H]1C 50564940 351554616 /nfs/dbraw/zinc/55/46/16/351554616.db2.gz RUURRMMCDZBDMI-GHMZBOCLSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)C[N@@H+](C)CCCCCO 51019818 351555597 /nfs/dbraw/zinc/55/55/97/351555597.db2.gz GVLYYKQBNALCQG-UHFFFAOYSA-N 1 1 173.300 1.737 10 0 ADAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)N)[C@@H]1C 50566841 351555648 /nfs/dbraw/zinc/55/56/48/351555648.db2.gz WLOWKUVEJXYGPJ-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1CCCN(CC(C)(C)[NH3+])[C@@H]1C 50566841 351555650 /nfs/dbraw/zinc/55/56/50/351555650.db2.gz WLOWKUVEJXYGPJ-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2(CO)CCCC2)C1 51294004 351556648 /nfs/dbraw/zinc/55/66/48/351556648.db2.gz GYBIPXPWRROCQC-LLVKDONJSA-N 1 1 197.322 1.881 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1CC(C)(C)CN 51205594 351556687 /nfs/dbraw/zinc/55/66/87/351556687.db2.gz JFWRNXTUOUZBFB-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H]1CCC[N@H+]1CC(C)(C)CN 51205594 351556689 /nfs/dbraw/zinc/55/66/89/351556689.db2.gz JFWRNXTUOUZBFB-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H]1C[C@@H](C)C[NH+](CC(C)(C)CN)C1 51206819 351556735 /nfs/dbraw/zinc/55/67/35/351556735.db2.gz ZYYDOVTYFSTXIM-GHMZBOCLSA-N 1 1 198.354 1.949 10 0 ADAEMO C[C@@H]1CCC[N@H+]1CC(C)(C)CO 51291315 351556748 /nfs/dbraw/zinc/55/67/48/351556748.db2.gz UBJJDJJFQSWKIF-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@@H]1CC[N@H+](CC2(CN)CCCC2)C1 51249972 351556755 /nfs/dbraw/zinc/55/67/55/351556755.db2.gz BSXKZATYUPGMIF-LLVKDONJSA-N 1 1 196.338 1.847 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC2(CN)CCCC2)C1 51249972 351556757 /nfs/dbraw/zinc/55/67/57/351556757.db2.gz BSXKZATYUPGMIF-LLVKDONJSA-N 1 1 196.338 1.847 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC(C)(C)CO)C1 51293990 351556781 /nfs/dbraw/zinc/55/67/81/351556781.db2.gz RHUBYVRUAJNPBX-SECBINFHSA-N 1 1 171.284 1.347 10 0 ADAEMO C[C@@H]1CC[N@H+](C(C)(C)CN)[C@H](C)C1 51730606 351558774 /nfs/dbraw/zinc/55/87/74/351558774.db2.gz ABUCRCVKHDCVSP-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@H](C)c1nc(N)cc(C)[nH+]1 51690784 351559222 /nfs/dbraw/zinc/55/92/22/351559222.db2.gz BWRYXHDSKASIEE-ZCFIWIBFSA-N 1 1 165.240 1.881 10 0 ADAEMO C[C@@H]1CC[N@@H+](CC(C)(C)N)[C@H](C)C1 51746783 351559350 /nfs/dbraw/zinc/55/93/50/351559350.db2.gz OIPXGATZEWTWCX-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1CCN(CC(C)(C)[NH3+])[C@H](C)C1 51746783 351559353 /nfs/dbraw/zinc/55/93/53/351559353.db2.gz OIPXGATZEWTWCX-NXEZZACHSA-N 1 1 184.327 1.844 10 0 ADAEMO O[C@H]1CCCC[C@@H]1[NH2+]CC(F)F 52014962 351562399 /nfs/dbraw/zinc/56/23/99/351562399.db2.gz NLNUFGMGNQICLN-BQBZGAKWSA-N 1 1 179.210 1.145 10 0 ADAEMO O[C@@H]1CCCC[C@@H]1[NH2+]CC(F)F 52014965 351562623 /nfs/dbraw/zinc/56/26/23/351562623.db2.gz NLNUFGMGNQICLN-NKWVEPMBSA-N 1 1 179.210 1.145 10 0 ADAEMO C[C@@H]1C[N@H+](C2CCC2)CCC1=O 52210667 351563416 /nfs/dbraw/zinc/56/34/16/351563416.db2.gz ZQJNUGCDTLZTJA-MRVPVSSYSA-N 1 1 167.252 1.450 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@H+]1C1CCC1 52210779 351563787 /nfs/dbraw/zinc/56/37/87/351563787.db2.gz MZSAHPHCVKRGEU-MRVPVSSYSA-N 1 1 167.252 1.592 10 0 ADAEMO C[C@@H]1CC[N@@H+](C2CCC2)CCN1 52213812 351565014 /nfs/dbraw/zinc/56/50/14/351565014.db2.gz MCRWYUZVNGYSCI-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1CC[N@H+](C2CCC2)CCN1 52213812 351565016 /nfs/dbraw/zinc/56/50/16/351565016.db2.gz MCRWYUZVNGYSCI-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1CCN(C2CCC2)CC[NH2+]1 52213812 351565020 /nfs/dbraw/zinc/56/50/20/351565020.db2.gz MCRWYUZVNGYSCI-SECBINFHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1C[C@H]1Nc1ccc(N)c[nH+]1 52273649 351565694 /nfs/dbraw/zinc/56/56/94/351565694.db2.gz DYSQADGGNRNBAU-HTRCEHHLSA-N 1 1 163.224 1.484 10 0 ADAEMO C[C@@H]1CCC[N@H+]1Cc1ccoc1CN 52375807 351567843 /nfs/dbraw/zinc/56/78/43/351567843.db2.gz RLLBOLAPIZWWLL-SECBINFHSA-N 1 1 194.278 1.723 10 0 ADAEMO C[C@@H]1C[C@@H]1Nc1ccc(N)c[nH+]1 52273645 351565808 /nfs/dbraw/zinc/56/58/08/351565808.db2.gz DYSQADGGNRNBAU-SVRRBLITSA-N 1 1 163.224 1.484 10 0 ADAEMO C[C@@H]1C[C@@H]1Nc1ccc(N)[nH+]c1 52273713 351565862 /nfs/dbraw/zinc/56/58/62/351565862.db2.gz WKPJAWSCGMGRAJ-SVRRBLITSA-N 1 1 163.224 1.484 10 0 ADAEMO C[C@@H]1C[C@@H]1Nc1[nH+]cccc1N 52273492 351565878 /nfs/dbraw/zinc/56/58/78/351565878.db2.gz PFWVDJUQEBIPFJ-SVRRBLITSA-N 1 1 163.224 1.484 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+]CC(F)F 52288029 351565895 /nfs/dbraw/zinc/56/58/95/351565895.db2.gz SGOMASDZSVRKHK-UHNVWZDZSA-N 1 1 135.157 1.250 10 0 ADAEMO C[C@@H]1C[C@H]1[NH2+]Cc1csnn1 52273474 351565929 /nfs/dbraw/zinc/56/59/29/351565929.db2.gz CQDFKQRDIKAICS-IYSWYEEDSA-N 1 1 169.253 1.036 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+]Cc1csnn1 52273470 351565967 /nfs/dbraw/zinc/56/59/67/351565967.db2.gz CQDFKQRDIKAICS-VDTYLAMSSA-N 1 1 169.253 1.036 10 0 ADAEMO C[C@@H]1C[C@H]1Nc1ccc(N)[nH+]c1 52273717 351566124 /nfs/dbraw/zinc/56/61/24/351566124.db2.gz WKPJAWSCGMGRAJ-HTRCEHHLSA-N 1 1 163.224 1.484 10 0 ADAEMO C[C@@H]1C[C@H]1[NH2+]CC(F)F 52288035 351566131 /nfs/dbraw/zinc/56/61/31/351566131.db2.gz SGOMASDZSVRKHK-RFZPGFLSSA-N 1 1 135.157 1.250 10 0 ADAEMO C[C@@H]1C[C@H]1[NH+]1CCC(=O)CC1 52288662 351566441 /nfs/dbraw/zinc/56/64/41/351566441.db2.gz LGWBOCWSOJJSGQ-VXNVDRBHSA-N 1 1 153.225 1.060 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+]CC1(N)CCCC1 52294648 351567979 /nfs/dbraw/zinc/56/79/79/351567979.db2.gz FUABSUPLTJQALV-BDAKNGLRSA-N 1 1 168.284 1.256 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH+]1CCC(=O)CC1 52288658 351566763 /nfs/dbraw/zinc/56/67/63/351566763.db2.gz LGWBOCWSOJJSGQ-APPZFPTMSA-N 1 1 153.225 1.060 10 0 ADAEMO C[C@@H]1CC[N@H+](Cc2ccc(CN)o2)C1 52484424 351567348 /nfs/dbraw/zinc/56/73/48/351567348.db2.gz MTEVWJCFMFDSQR-SECBINFHSA-N 1 1 194.278 1.580 10 0 ADAEMO C[C@@H]1CC[N@@H+](Cc2ccc(CN)o2)C1 52484424 351567350 /nfs/dbraw/zinc/56/73/50/351567350.db2.gz MTEVWJCFMFDSQR-SECBINFHSA-N 1 1 194.278 1.580 10 0 ADAEMO C[C@@H]1C[C@H]1[NH2+]CC1(N)CCCC1 52294654 351567512 /nfs/dbraw/zinc/56/75/12/351567512.db2.gz FUABSUPLTJQALV-RKDXNWHRSA-N 1 1 168.284 1.256 10 0 ADAEMO C[C@@H]1CCC[N@@H+]1Cc1ccoc1CN 52375807 351567838 /nfs/dbraw/zinc/56/78/38/351567838.db2.gz RLLBOLAPIZWWLL-SECBINFHSA-N 1 1 194.278 1.723 10 0 ADAEMO CC[C@@H](C)c1[nH+]c(C)n(N)c1N 52838341 351568950 /nfs/dbraw/zinc/56/89/50/351568950.db2.gz SDWDOAGSOPCGEE-RXMQYKEDSA-N 1 1 168.244 1.001 10 0 ADAEMO C[C@@H]1[NH2+]CCn2c1nnc2C(C)(C)C 53710670 351569516 /nfs/dbraw/zinc/56/95/16/351569516.db2.gz ABHFGZNKOBPANG-ZETCQYMHSA-N 1 1 194.282 1.240 10 0 ADAEMO CC(C)C[C@H]1CNC(C)(C)C[N@H+]1C 62567118 351587255 /nfs/dbraw/zinc/58/72/55/351587255.db2.gz UGBABUONQSDOAU-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)CN1CCC[NH2+]C[C@@H]1C 62566586 351587523 /nfs/dbraw/zinc/58/75/23/351587523.db2.gz UHJSHSOZFBGLTL-JTQLQIEISA-N 1 1 170.300 1.326 10 0 ADAEMO C[C@@H]1CCN([C@@H]2CCCC[NH2+]C2)C1 54135176 351571536 /nfs/dbraw/zinc/57/15/36/351571536.db2.gz MRLZHQLSZNPAJT-GHMZBOCLSA-N 1 1 182.311 1.470 10 0 ADAEMO C[C@@H]1CCC[N@@H+]([C@@H]2CCCCNC2)C1 54134842 351571550 /nfs/dbraw/zinc/57/15/50/351571550.db2.gz LHABYFXLARSQEF-VXGBXAGGSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCCCNC2)C1 54134842 351571554 /nfs/dbraw/zinc/57/15/54/351571554.db2.gz LHABYFXLARSQEF-VXGBXAGGSA-N 1 1 196.338 1.860 10 0 ADAEMO C[C@@H]1CCCN1[C@@H]1CCCC[NH2+]C1 54134822 351571596 /nfs/dbraw/zinc/57/15/96/351571596.db2.gz UDTIVMBDRHKWKD-GHMZBOCLSA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)([NH3+])c1nc(-c2ccco2)no1 54445362 351572347 /nfs/dbraw/zinc/57/23/47/351572347.db2.gz NUVTWLPWOPRNLW-UHFFFAOYSA-N 1 1 193.206 1.523 10 0 ADAEMO CC(C)C1CCC([NH3+])(CN)CC1 54557026 351574097 /nfs/dbraw/zinc/57/40/97/351574097.db2.gz YHKQTNQSTUNZBD-UHFFFAOYSA-N 1 1 170.300 1.489 10 0 ADAEMO CC[C@@H](C)C[N@H+]1CCN[C@@H](C)CC1 54490901 351574191 /nfs/dbraw/zinc/57/41/91/351574191.db2.gz TXSKPLAIVIJRIZ-MNOVXSKESA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@@H](C)CN1CC[NH2+][C@@H](C)CC1 54490901 351574196 /nfs/dbraw/zinc/57/41/96/351574196.db2.gz TXSKPLAIVIJRIZ-MNOVXSKESA-N 1 1 184.327 1.716 10 0 ADAEMO c1nc(C[NH2+]C2CCC2)c[nH]1 54765338 351575079 /nfs/dbraw/zinc/57/50/79/351575079.db2.gz OIGPUPQQLOCMFF-UHFFFAOYSA-N 1 1 151.213 1.052 10 0 ADAEMO C[C@@H]1CCCC[N@@H+]1CC1(CN)CCC1 58082552 351579378 /nfs/dbraw/zinc/57/93/78/351579378.db2.gz WGNUSWXLWOVFLX-LLVKDONJSA-N 1 1 196.338 1.990 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1CC1(CN)CCC1 58082552 351579380 /nfs/dbraw/zinc/57/93/80/351579380.db2.gz WGNUSWXLWOVFLX-LLVKDONJSA-N 1 1 196.338 1.990 10 0 ADAEMO C[C@@H]1CCC[N@H+](CC2(CN)CCC2)C1 58082596 351579525 /nfs/dbraw/zinc/57/95/25/351579525.db2.gz HSNKOYUZNXIUCX-LLVKDONJSA-N 1 1 196.338 1.847 10 0 ADAEMO C[C@@H]1CCC[N@@H+](CC2(CN)CCC2)C1 58082596 351579529 /nfs/dbraw/zinc/57/95/29/351579529.db2.gz HSNKOYUZNXIUCX-LLVKDONJSA-N 1 1 196.338 1.847 10 0 ADAEMO C[C@@H]1C[C@@H](C)C[NH+](CC2(CN)CC2)C1 58082671 351579812 /nfs/dbraw/zinc/57/98/12/351579812.db2.gz OUZJEXOEBNWHPF-GHMZBOCLSA-N 1 1 196.338 1.703 10 0 ADAEMO C[C@@H]([C@@H](C)[NH3+])N1CCC(C)(C)CC1 61819475 351584770 /nfs/dbraw/zinc/58/47/70/351584770.db2.gz JILJVENCLCLHME-ZJUUUORDSA-N 1 1 184.327 1.844 10 0 ADAEMO OCc1cnc(C[NH+]2CCCC2)s1 62201680 351586222 /nfs/dbraw/zinc/58/62/22/351586222.db2.gz NZWBNWHREXFJJJ-UHFFFAOYSA-N 1 1 198.291 1.231 10 0 ADAEMO CC(C)C[C@@H]1CN(C)CCC[NH2+]1 62566631 351587012 /nfs/dbraw/zinc/58/70/12/351587012.db2.gz XOPAQNPHBGVEDQ-SNVBAGLBSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)C[N@H+]1C[C@@H](C)NCC1(C)C 62567089 351587087 /nfs/dbraw/zinc/58/70/87/351587087.db2.gz NONRYIGLEJNTFC-SNVBAGLBSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCNCC1(C)C 62566566 351587147 /nfs/dbraw/zinc/58/71/47/351587147.db2.gz SEQMTSUCLFNSLC-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H](C)N1CC[NH2+]CC1(C)C 62566566 351587150 /nfs/dbraw/zinc/58/71/50/351587150.db2.gz SEQMTSUCLFNSLC-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCNC[C@@H]1C(C)C 62567142 351587157 /nfs/dbraw/zinc/58/71/57/351587157.db2.gz INNDOBSFWRYBGQ-GHMZBOCLSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[N@H+]1CCCNC[C@H]1C 62566585 351587179 /nfs/dbraw/zinc/58/71/79/351587179.db2.gz UHJSHSOZFBGLTL-SNVBAGLBSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)CN1CCC[NH2+]C[C@H]1C 62566585 351587182 /nfs/dbraw/zinc/58/71/82/351587182.db2.gz UHJSHSOZFBGLTL-SNVBAGLBSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)C[C@H]1C[NH2+]C(C)(C)CN1 62566557 351587234 /nfs/dbraw/zinc/58/72/34/351587234.db2.gz VTWRYHRLNFXWGO-VIFPVBQESA-N 1 1 170.300 1.373 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCNC[C@@H]1C 62566593 351587281 /nfs/dbraw/zinc/58/72/81/351587281.db2.gz QPNHEXXKQKXMJZ-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H](C)N1CCC[NH2+]C[C@@H]1C 62566593 351587284 /nfs/dbraw/zinc/58/72/84/351587284.db2.gz QPNHEXXKQKXMJZ-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCN[C@H](C)C1 62566617 351587299 /nfs/dbraw/zinc/58/72/99/351587299.db2.gz WMAAOASPXUJKSJ-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H](C)N1CCC[NH2+][C@H](C)C1 62566617 351587302 /nfs/dbraw/zinc/58/73/02/351587302.db2.gz WMAAOASPXUJKSJ-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCNC(C)(C)C1 62567181 351587324 /nfs/dbraw/zinc/58/73/24/351587324.db2.gz VIDYWYCTCYNLLZ-SNVBAGLBSA-N 1 1 184.327 1.859 10 0 ADAEMO CC(C)C[C@@H]1CN[C@@H](C)C[N@H+]1C 62566545 351587340 /nfs/dbraw/zinc/58/73/40/351587340.db2.gz ZBFUYZALGMATOC-VHSXEESVSA-N 1 1 170.300 1.325 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1C 62566545 351587342 /nfs/dbraw/zinc/58/73/42/351587342.db2.gz ZBFUYZALGMATOC-VHSXEESVSA-N 1 1 170.300 1.325 10 0 ADAEMO C[C@@H]1CCNCC[N@H+]1C1CCCC1 62566928 351587360 /nfs/dbraw/zinc/58/73/60/351587360.db2.gz SJLUIQLWVXLXTB-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC(C)C[N@H+]1CCNCC[C@H]1C 62566638 351587417 /nfs/dbraw/zinc/58/74/17/351587417.db2.gz KJYCYYPYWKSUOE-SNVBAGLBSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)C[N@H+]1CCCN[C@H](C)C1 62566609 351587429 /nfs/dbraw/zinc/58/74/29/351587429.db2.gz FRRKFOCLNFSTOT-SNVBAGLBSA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)CN1CCC[NH2+][C@H](C)C1 62566609 351587431 /nfs/dbraw/zinc/58/74/31/351587431.db2.gz FRRKFOCLNFSTOT-SNVBAGLBSA-N 1 1 170.300 1.326 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCNCC[C@@H]1C 62566648 351587491 /nfs/dbraw/zinc/58/74/91/351587491.db2.gz OIQOMMDJXBURGW-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CC(C)C[N@H+]1CCCNC[C@@H]1C 62566586 351587518 /nfs/dbraw/zinc/58/75/18/351587518.db2.gz UHJSHSOZFBGLTL-JTQLQIEISA-N 1 1 170.300 1.326 10 0 ADAEMO CC(C)C[N@H+]1CCNCC[C@@H]1C 62566639 351587613 /nfs/dbraw/zinc/58/76/13/351587613.db2.gz KJYCYYPYWKSUOE-JTQLQIEISA-N 1 1 170.300 1.326 10 0 ADAEMO C[C@@H]1CNCCC[N@H+]1C1CCCC1 62566921 351587632 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Cc1ccsc1[C@@H](N)CC[NH3+] 259456840 351875248 /nfs/dbraw/zinc/87/52/48/351875248.db2.gz QRTURCGHJDWQNE-ZETCQYMHSA-N 1 1 170.281 1.405 10 0 ADAEMO CC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 259552562 351875807 /nfs/dbraw/zinc/87/58/07/351875807.db2.gz VVSZSLJIAMRMMD-VIFPVBQESA-N 1 1 193.250 1.339 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](CO)[C@H]1C 259528488 351875831 /nfs/dbraw/zinc/87/58/31/351875831.db2.gz VTIIQKLPKLNOEC-RKDXNWHRSA-N 1 1 157.257 1.098 10 0 ADAEMO CC1(C)CC(N[C@H]2CCC[NH2+]C2)C1 259535577 351875859 /nfs/dbraw/zinc/87/58/59/351875859.db2.gz BKQBDFWJRUYCKH-VIFPVBQESA-N 1 1 182.311 1.517 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](CO)[C@H]1C 259528480 351876084 /nfs/dbraw/zinc/87/60/84/351876084.db2.gz VTIIQKLPKLNOEC-BDAKNGLRSA-N 1 1 157.257 1.098 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](CO)[C@@H]1C 259528483 351876262 /nfs/dbraw/zinc/87/62/62/351876262.db2.gz VTIIQKLPKLNOEC-DTWKUNHWSA-N 1 1 157.257 1.098 10 0 ADAEMO CC(C)[N@H+]1CC[C@@H](CO)[C@@H]1C 259528485 351876300 /nfs/dbraw/zinc/87/63/00/351876300.db2.gz VTIIQKLPKLNOEC-IUCAKERBSA-N 1 1 157.257 1.098 10 0 ADAEMO CC1(C)CC(N[C@@H]2CCC[NH2+]C2)C1 259535564 351876348 /nfs/dbraw/zinc/87/63/48/351876348.db2.gz BKQBDFWJRUYCKH-SECBINFHSA-N 1 1 182.311 1.517 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 259552559 351876357 /nfs/dbraw/zinc/87/63/57/351876357.db2.gz VVSZSLJIAMRMMD-SECBINFHSA-N 1 1 193.250 1.339 10 0 ADAEMO CC[N@H+]1CC[C@@H](c2cccnn2)C1 259562602 351876699 /nfs/dbraw/zinc/87/66/99/351876699.db2.gz XDNXMRQRCMYRMA-SECBINFHSA-N 1 1 177.251 1.286 10 0 ADAEMO CC1(c2noc(C[NH3+])n2)CCCC1 259623031 351876793 /nfs/dbraw/zinc/87/67/93/351876793.db2.gz FKCITULYLQUIHR-UHFFFAOYSA-N 1 1 181.239 1.360 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1cccnn1 259564617 351876810 /nfs/dbraw/zinc/87/68/10/351876810.db2.gz WXMPUCXUMGJYAU-SECBINFHSA-N 1 1 163.224 1.243 10 0 ADAEMO CC[N@H+]1CC[C@H](c2cccnn2)C1 259562605 351876859 /nfs/dbraw/zinc/87/68/59/351876859.db2.gz XDNXMRQRCMYRMA-VIFPVBQESA-N 1 1 177.251 1.286 10 0 ADAEMO CC1(c2ncc(C[NH3+])[nH]2)CCCC1 259609601 351877024 /nfs/dbraw/zinc/87/70/24/351877024.db2.gz DOYUUUDNVWVPFI-UHFFFAOYSA-N 1 1 179.267 1.700 10 0 ADAEMO C[N@H+]1CCC[C@H]1c1cccnn1 259564620 351877064 /nfs/dbraw/zinc/87/70/64/351877064.db2.gz WXMPUCXUMGJYAU-VIFPVBQESA-N 1 1 163.224 1.243 10 0 ADAEMO COC(=O)[C@H]1CCCC[N@H+](C(C)C)C1 259634614 351877365 /nfs/dbraw/zinc/87/73/65/351877365.db2.gz GEYNOOOURKMOIQ-JTQLQIEISA-N 1 1 199.294 1.670 10 0 ADAEMO COC(=O)[C@@H]1CCCC[N@H+](C(C)C)C1 259634618 351877535 /nfs/dbraw/zinc/87/75/35/351877535.db2.gz GEYNOOOURKMOIQ-SNVBAGLBSA-N 1 1 199.294 1.670 10 0 ADAEMO [NH3+]Cc1cnc([C@H]2CCCCO2)[nH]1 259664060 351877561 /nfs/dbraw/zinc/87/75/61/351877561.db2.gz IBGGDYGKPGAGSN-MRVPVSSYSA-N 1 1 181.239 1.110 10 0 ADAEMO [NH3+]Cc1cnc([C@@H]2CCCCO2)[nH]1 259664065 351877720 /nfs/dbraw/zinc/87/77/20/351877720.db2.gz IBGGDYGKPGAGSN-QMMMGPOBSA-N 1 1 181.239 1.110 10 0 ADAEMO [NH3+]Cc1cnc([C@H]2CCSC2)[nH]1 259702273 351877962 /nfs/dbraw/zinc/87/79/62/351877962.db2.gz KIRZYTPMVGAFBU-LURJTMIESA-N 1 1 183.280 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1.492 10 0 ADAEMO [NH3+]Cc1ncc(-c2ccsn2)o1 575463373 352254224 /nfs/dbraw/zinc/25/42/24/352254224.db2.gz QSUOJRXRKUYHKG-UHFFFAOYSA-N 1 1 181.220 1.257 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1cccc(N)n1 575463381 352254318 /nfs/dbraw/zinc/25/43/18/352254318.db2.gz UBHZEUDKQLNBHF-MRVPVSSYSA-N 1 1 177.251 1.258 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1cccc(N)n1 575463382 352254659 /nfs/dbraw/zinc/25/46/59/352254659.db2.gz UBHZEUDKQLNBHF-QMMMGPOBSA-N 1 1 177.251 1.258 10 0 ADAEMO CCc1c(Cl)nc[nH+]c1NNC 575464020 352256966 /nfs/dbraw/zinc/25/69/66/352256966.db2.gz WQEVLFQHUQCANG-UHFFFAOYSA-N 1 1 186.646 1.239 10 0 ADAEMO [NH3+][C@@H](c1cnsc1)c1ccns1 575464534 352259503 /nfs/dbraw/zinc/25/95/03/352259503.db2.gz BQTFTLLIKXWJKS-ZETCQYMHSA-N 1 1 197.288 1.648 10 0 ADAEMO [NH3+][C@H](c1cnsc1)c1ccns1 575464532 352259752 /nfs/dbraw/zinc/25/97/52/352259752.db2.gz BQTFTLLIKXWJKS-SSDOTTSWSA-N 1 1 197.288 1.648 10 0 ADAEMO [NH3+]C1(c2cnc(C3CC3)s2)COC1 575464731 352260095 /nfs/dbraw/zinc/26/00/95/352260095.db2.gz ZMDRFCKECJUTJX-UHFFFAOYSA-N 1 1 196.275 1.205 10 0 ADAEMO C/C=C/C[N@@H+]1CCCCC[C@@H]([NH3+])C1 575465115 352261467 /nfs/dbraw/zinc/26/14/67/352261467.db2.gz UJFNVPYOTWKNNA-KXMPLOMGSA-N 1 1 182.311 1.766 10 0 ADAEMO C/C=C/C[N@H+]1CCCCC[C@@H]([NH3+])C1 575465115 352261470 /nfs/dbraw/zinc/26/14/70/352261470.db2.gz UJFNVPYOTWKNNA-KXMPLOMGSA-N 1 1 182.311 1.766 10 0 ADAEMO [NH3+][C@H](c1ccsc1)c1cccnn1 575465191 352261517 /nfs/dbraw/zinc/26/15/17/352261517.db2.gz LFAXHXZIQQGHMA-SECBINFHSA-N 1 1 191.259 1.586 10 0 ADAEMO [NH3+][C@@H](c1ccsc1)c1cccnn1 575465192 352261633 /nfs/dbraw/zinc/26/16/33/352261633.db2.gz LFAXHXZIQQGHMA-VIFPVBQESA-N 1 1 191.259 1.586 10 0 ADAEMO C/C=C/C[N@@H+]1CCCCC[C@H]([NH3+])C1 575465116 352261702 /nfs/dbraw/zinc/26/17/02/352261702.db2.gz UJFNVPYOTWKNNA-VUDBWIFFSA-N 1 1 182.311 1.766 10 0 ADAEMO C/C=C/C[N@H+]1CCCCC[C@H]([NH3+])C1 575465116 352261703 /nfs/dbraw/zinc/26/17/03/352261703.db2.gz UJFNVPYOTWKNNA-VUDBWIFFSA-N 1 1 182.311 1.766 10 0 ADAEMO C[N@@H+]1CCC[C@](N)(c2cncs2)C1 575465293 352262193 /nfs/dbraw/zinc/26/21/93/352262193.db2.gz AQGVCLQZIMWJPV-SECBINFHSA-N 1 1 197.307 1.023 10 0 ADAEMO C[N@H+]1CCC[C@](N)(c2cncs2)C1 575465293 352262196 /nfs/dbraw/zinc/26/21/96/352262196.db2.gz AQGVCLQZIMWJPV-SECBINFHSA-N 1 1 197.307 1.023 10 0 ADAEMO C[N@@H+]1CCC[C@@](N)(c2cncs2)C1 575465295 352262246 /nfs/dbraw/zinc/26/22/46/352262246.db2.gz AQGVCLQZIMWJPV-VIFPVBQESA-N 1 1 197.307 1.023 10 0 ADAEMO C[N@H+]1CCC[C@@](N)(c2cncs2)C1 575465295 352262249 /nfs/dbraw/zinc/26/22/49/352262249.db2.gz AQGVCLQZIMWJPV-VIFPVBQESA-N 1 1 197.307 1.023 10 0 ADAEMO Nc1[nH]cc(C2(Cl)CC2)[nH+]1 575466742 352268088 /nfs/dbraw/zinc/26/80/88/352268088.db2.gz FODUHGZXEUCJLV-UHFFFAOYSA-N 1 1 157.604 1.050 10 0 ADAEMO [NH3+]C(c1cncs1)c1cncs1 575467159 352269830 /nfs/dbraw/zinc/26/98/30/352269830.db2.gz MNLXEZJEELEOBP-UHFFFAOYSA-N 1 1 197.288 1.648 10 0 ADAEMO FC1(F)CCC[N@@H+](C[C@@H]2CO2)CC1 575468160 352273342 /nfs/dbraw/zinc/27/33/42/352273342.db2.gz CUHZYSDKLIHCBS-MRVPVSSYSA-N 1 1 191.221 1.506 10 0 ADAEMO CC(F)(F)CNc1ccc(N)c[nH+]1 575468788 352276330 /nfs/dbraw/zinc/27/63/30/352276330.db2.gz KIJBFHBHPNNCOE-UHFFFAOYSA-N 1 1 187.193 1.731 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@H](N)c2ccsn2)C1 575469398 352279220 /nfs/dbraw/zinc/27/92/20/352279220.db2.gz QPBNDCAMEJTLII-APPZFPTMSA-N 1 1 197.307 1.095 10 0 ADAEMO CN1CC[C@@H]([C@H]([NH3+])c2ccsn2)C1 575469398 352279221 /nfs/dbraw/zinc/27/92/21/352279221.db2.gz QPBNDCAMEJTLII-APPZFPTMSA-N 1 1 197.307 1.095 10 0 ADAEMO C[N@H+]1CC[C@H]([C@H](N)c2ccsn2)C1 575469399 352279241 /nfs/dbraw/zinc/27/92/41/352279241.db2.gz QPBNDCAMEJTLII-CBAPKCEASA-N 1 1 197.307 1.095 10 0 ADAEMO CN1CC[C@H]([C@H]([NH3+])c2ccsn2)C1 575469399 352279243 /nfs/dbraw/zinc/27/92/43/352279243.db2.gz QPBNDCAMEJTLII-CBAPKCEASA-N 1 1 197.307 1.095 10 0 ADAEMO [NH3+][C@H]1CC=C(CN2CC[C@@H](F)C2)C1 575469348 352279350 /nfs/dbraw/zinc/27/93/50/352279350.db2.gz USSOIDGVKFMSMN-ZJUUUORDSA-N 1 1 184.258 1.078 10 0 ADAEMO [NH3+][C@@H]1CC=C(CN2CC[C@@H](F)C2)C1 575469345 352279369 /nfs/dbraw/zinc/27/93/69/352279369.db2.gz USSOIDGVKFMSMN-NXEZZACHSA-N 1 1 184.258 1.078 10 0 ADAEMO [NH3+][C@H]1CC=C(CN2CC[C@H](F)C2)C1 575469346 352279422 /nfs/dbraw/zinc/27/94/22/352279422.db2.gz USSOIDGVKFMSMN-UWVGGRQHSA-N 1 1 184.258 1.078 10 0 ADAEMO C[N@H+]1CC[C@H]([C@@H](N)c2ccsn2)C1 575469400 352279432 /nfs/dbraw/zinc/27/94/32/352279432.db2.gz QPBNDCAMEJTLII-IONNQARKSA-N 1 1 197.307 1.095 10 0 ADAEMO CN1CC[C@H]([C@@H]([NH3+])c2ccsn2)C1 575469400 352279435 /nfs/dbraw/zinc/27/94/35/352279435.db2.gz QPBNDCAMEJTLII-IONNQARKSA-N 1 1 197.307 1.095 10 0 ADAEMO C[N@H+]1CC[C@@H]([C@@H](N)c2ccsn2)C1 575469401 352279671 /nfs/dbraw/zinc/27/96/71/352279671.db2.gz QPBNDCAMEJTLII-VXNVDRBHSA-N 1 1 197.307 1.095 10 0 ADAEMO CN1CC[C@@H]([C@@H]([NH3+])c2ccsn2)C1 575469401 352279674 /nfs/dbraw/zinc/27/96/74/352279674.db2.gz QPBNDCAMEJTLII-VXNVDRBHSA-N 1 1 197.307 1.095 10 0 ADAEMO [NH3+][C@@H]1CC=C(CN2CC[C@H](F)C2)C1 575469347 352279703 /nfs/dbraw/zinc/27/97/03/352279703.db2.gz USSOIDGVKFMSMN-VHSXEESVSA-N 1 1 184.258 1.078 10 0 ADAEMO Cn1c[nH+]c([C@H]2CCCCO2)c1N 575470879 352284773 /nfs/dbraw/zinc/28/47/73/352284773.db2.gz DEDRAJSGAKCORD-SSDOTTSWSA-N 1 1 181.239 1.244 10 0 ADAEMO Cn1c[nH+]c([C@@H]2CCCCO2)c1N 575470880 352284852 /nfs/dbraw/zinc/28/48/52/352284852.db2.gz DEDRAJSGAKCORD-ZETCQYMHSA-N 1 1 181.239 1.244 10 0 ADAEMO C[N@H+]1CCC[C@@H]1C1=NC(=O)CS1 575471065 352285436 /nfs/dbraw/zinc/28/54/36/352285436.db2.gz RTHDOKRZSNDEIT-ZCFIWIBFSA-N 1 1 184.264 1.615 10 0 ADAEMO C[N@H+]1CCC[C@H]1C1=NC(=O)CS1 575471064 352285635 /nfs/dbraw/zinc/28/56/35/352285635.db2.gz RTHDOKRZSNDEIT-LURJTMIESA-N 1 1 184.264 1.615 10 0 ADAEMO c1c(C[C@@H]2CO2)[nH+]c2n1CCCC2 575471172 352286228 /nfs/dbraw/zinc/28/62/28/352286228.db2.gz TXJFMOUVYYCLHB-SECBINFHSA-N 1 1 178.235 1.161 10 0 ADAEMO c1c(C[C@H]2CO2)[nH+]c2n1CCCC2 575471173 352286245 /nfs/dbraw/zinc/28/62/45/352286245.db2.gz TXJFMOUVYYCLHB-VIFPVBQESA-N 1 1 178.235 1.161 10 0 ADAEMO COc1cncc([C@@H]2[NH2+]CCS2)c1 575471345 352286519 /nfs/dbraw/zinc/28/65/19/352286519.db2.gz ZEIIOZPJIABTQO-SECBINFHSA-N 1 1 196.275 1.425 10 0 ADAEMO COc1cncc([C@H]2[NH2+]CCS2)c1 575471346 352286623 /nfs/dbraw/zinc/28/66/23/352286623.db2.gz ZEIIOZPJIABTQO-VIFPVBQESA-N 1 1 196.275 1.425 10 0 ADAEMO [NH3+][C@@H](c1cccnn1)c1cccs1 575471759 352287170 /nfs/dbraw/zinc/28/71/70/352287170.db2.gz GPKRDUDEAJKPEU-VIFPVBQESA-N 1 1 191.259 1.586 10 0 ADAEMO [NH3+][C@H](c1cccnn1)c1cccs1 575471758 352287475 /nfs/dbraw/zinc/28/74/75/352287475.db2.gz GPKRDUDEAJKPEU-SECBINFHSA-N 1 1 191.259 1.586 10 0 ADAEMO Cc1[nH+]c([C@@H]2CC2(C)C)c(N)n1N 575471914 352287950 /nfs/dbraw/zinc/28/79/50/352287950.db2.gz VJGNRLNKDIZBDG-LURJTMIESA-N 1 1 180.255 1.001 10 0 ADAEMO Cc1[nH+]c([C@H]2CC2(C)C)c(N)n1N 575471915 352288150 /nfs/dbraw/zinc/28/81/50/352288150.db2.gz VJGNRLNKDIZBDG-ZCFIWIBFSA-N 1 1 180.255 1.001 10 0 ADAEMO C[C@H]1CCN1c1[nH+]cccc1N 575472027 352288776 /nfs/dbraw/zinc/28/87/76/352288776.db2.gz NEDWJEMEAPCBIL-ZETCQYMHSA-N 1 1 163.224 1.262 10 0 ADAEMO C[N@H+]1CC[C@@H](c2nccc(Cl)n2)C1 575471989 352288790 /nfs/dbraw/zinc/28/87/90/352288790.db2.gz YZSKXZBSRNQAEU-SSDOTTSWSA-N 1 1 197.669 1.549 10 0 ADAEMO C[C@@H]1CCN1c1[nH+]cccc1N 575472026 352288890 /nfs/dbraw/zinc/28/88/90/352288890.db2.gz NEDWJEMEAPCBIL-SSDOTTSWSA-N 1 1 163.224 1.262 10 0 ADAEMO C[N@H+]1CC[C@H](c2nccc(Cl)n2)C1 575471990 352289012 /nfs/dbraw/zinc/28/90/12/352289012.db2.gz YZSKXZBSRNQAEU-ZETCQYMHSA-N 1 1 197.669 1.549 10 0 ADAEMO C[N@@H+]1CCC[C@H]1c1nccc(=S)[nH]1 575472415 352290877 /nfs/dbraw/zinc/29/08/77/352290877.db2.gz CHLGJKUQXRUCMM-ZETCQYMHSA-N 1 1 195.291 1.532 10 0 ADAEMO C[N@H+]1CCC[C@H]1c1nccc(=S)[nH]1 575472415 352290880 /nfs/dbraw/zinc/29/08/80/352290880.db2.gz CHLGJKUQXRUCMM-ZETCQYMHSA-N 1 1 195.291 1.532 10 0 ADAEMO C[N@@H+]1CCC[C@@H]1c1nccc(=S)[nH]1 575472414 352291176 /nfs/dbraw/zinc/29/11/76/352291176.db2.gz CHLGJKUQXRUCMM-SSDOTTSWSA-N 1 1 195.291 1.532 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1nccc(=S)[nH]1 575472414 352291180 /nfs/dbraw/zinc/29/11/80/352291180.db2.gz CHLGJKUQXRUCMM-SSDOTTSWSA-N 1 1 195.291 1.532 10 0 ADAEMO CCC1C[NH+]([C@@H]2CCNC[C@@H]2F)C1 575478614 352295939 /nfs/dbraw/zinc/29/59/39/352295939.db2.gz ILMPTLFOIPFBPL-VHSXEESVSA-N 1 1 186.274 1.028 10 0 ADAEMO CCC1C[NH+]([C@H]2CCNC[C@@H]2F)C1 575478613 352296003 /nfs/dbraw/zinc/29/60/03/352296003.db2.gz ILMPTLFOIPFBPL-UWVGGRQHSA-N 1 1 186.274 1.028 10 0 ADAEMO CC(F)(F)CNc1[nH+]cccc1N 575478529 352296179 /nfs/dbraw/zinc/29/61/79/352296179.db2.gz BDAAOLQXGLXFCQ-UHFFFAOYSA-N 1 1 187.193 1.731 10 0 ADAEMO CCC1C[NH+]([C@H]2CCNC[C@H]2F)C1 575478615 352296234 /nfs/dbraw/zinc/29/62/34/352296234.db2.gz ILMPTLFOIPFBPL-ZJUUUORDSA-N 1 1 186.274 1.028 10 0 ADAEMO CC(F)(F)CNc1ccc[nH+]c1N 575478655 352296881 /nfs/dbraw/zinc/29/68/81/352296881.db2.gz CJRLBHRJCJXZHX-UHFFFAOYSA-N 1 1 187.193 1.731 10 0 ADAEMO N[C@@H]1CC[N@H+](C[C@@]23CCC[C@@H]2C3)C1 575478836 352297166 /nfs/dbraw/zinc/29/71/66/352297166.db2.gz COGALJXOFOVVFH-MXWKQRLJSA-N 1 1 180.295 1.210 10 0 ADAEMO N[C@@H]1CC[N@@H+](C[C@@]23CCC[C@@H]2C3)C1 575478836 352297169 /nfs/dbraw/zinc/29/71/69/352297169.db2.gz COGALJXOFOVVFH-MXWKQRLJSA-N 1 1 180.295 1.210 10 0 ADAEMO N[C@@H]1CC[N@H+](C[C@]23CCC[C@H]2C3)C1 575478835 352297250 /nfs/dbraw/zinc/29/72/50/352297250.db2.gz COGALJXOFOVVFH-HBNTYKKESA-N 1 1 180.295 1.210 10 0 ADAEMO N[C@@H]1CC[N@@H+](C[C@]23CCC[C@H]2C3)C1 575478835 352297253 /nfs/dbraw/zinc/29/72/53/352297253.db2.gz COGALJXOFOVVFH-HBNTYKKESA-N 1 1 180.295 1.210 10 0 ADAEMO CC1C[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](C)N 575479187 352299335 /nfs/dbraw/zinc/29/93/35/352299335.db2.gz NAKWTQOOOLKQBR-OCPDBYLZSA-N 1 1 182.311 1.597 10 0 ADAEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](C)N 575479187 352299337 /nfs/dbraw/zinc/29/93/37/352299337.db2.gz NAKWTQOOOLKQBR-OCPDBYLZSA-N 1 1 182.311 1.597 10 0 ADAEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](C)N 575479188 352299367 /nfs/dbraw/zinc/29/93/67/352299367.db2.gz NAKWTQOOOLKQBR-QBUCEGOBSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CC[C@@H](N)C[N@H+]1C1CCC1 575479313 352299818 /nfs/dbraw/zinc/29/98/18/352299818.db2.gz CSROSLAXQHXGDK-RKDXNWHRSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H]1CC[C@@H]([NH3+])CN1C1CCC1 575479313 352299823 /nfs/dbraw/zinc/29/98/23/352299823.db2.gz CSROSLAXQHXGDK-RKDXNWHRSA-N 1 1 168.284 1.351 10 0 ADAEMO NCC1([N@@H+]2CCCC3(CC3)C2)CC1 575479392 352299859 /nfs/dbraw/zinc/29/98/59/352299859.db2.gz NHYFCNJGSVATDL-UHFFFAOYSA-N 1 1 180.295 1.354 10 0 ADAEMO NCC1([N@H+]2CCCC3(CC3)C2)CC1 575479392 352299865 /nfs/dbraw/zinc/29/98/65/352299865.db2.gz NHYFCNJGSVATDL-UHFFFAOYSA-N 1 1 180.295 1.354 10 0 ADAEMO C[C@H]1CC[C@H](N)C[N@H+]1C1CCC1 575479311 352300021 /nfs/dbraw/zinc/30/00/21/352300021.db2.gz CSROSLAXQHXGDK-IUCAKERBSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@H]1CC[C@H]([NH3+])CN1C1CCC1 575479311 352300024 /nfs/dbraw/zinc/30/00/24/352300024.db2.gz CSROSLAXQHXGDK-IUCAKERBSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@H]1CC[C@@H](N)C[N@H+]1C1CCC1 575479310 352300050 /nfs/dbraw/zinc/30/00/50/352300050.db2.gz CSROSLAXQHXGDK-DTWKUNHWSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@H]1CC[C@@H]([NH3+])CN1C1CCC1 575479310 352300053 /nfs/dbraw/zinc/30/00/53/352300053.db2.gz CSROSLAXQHXGDK-DTWKUNHWSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H]1CC[C@H](N)C[N@H+]1C1CCC1 575479307 352300161 /nfs/dbraw/zinc/30/01/61/352300161.db2.gz CSROSLAXQHXGDK-BDAKNGLRSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H](C)CN 575480497 352305449 /nfs/dbraw/zinc/30/54/49/352305449.db2.gz YCSFHXFWUCVEPV-QBUCEGOBSA-N 1 1 182.311 1.597 10 0 ADAEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2[C@H](C)CN 575480495 352305471 /nfs/dbraw/zinc/30/54/71/352305471.db2.gz YCSFHXFWUCVEPV-OCPDBYLZSA-N 1 1 182.311 1.597 10 0 ADAEMO CC1CC([N@H+]2C[C@@H](N)CC[C@H]2C)C1 575480564 352306010 /nfs/dbraw/zinc/30/60/10/352306010.db2.gz JUDJXXQLHWGXNT-WIFZPCQCSA-N 1 1 182.311 1.597 10 0 ADAEMO CC1CC(N2C[C@@H]([NH3+])CC[C@H]2C)C1 575480564 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575487944 352346116 /nfs/dbraw/zinc/34/61/16/352346116.db2.gz XIYMMCPASCOXQC-UHFFFAOYSA-N 1 1 181.260 1.367 10 0 ADAEMO [NH3+]Cc1cnc([C@@H]2CC23CC3)[nH]1 575488003 352346189 /nfs/dbraw/zinc/34/61/89/352346189.db2.gz OZQLHSZCZPKTKM-ZETCQYMHSA-N 1 1 163.224 1.136 10 0 ADAEMO CC1CC(c2nnc(C[NH3+])o2)C1 575488146 352346908 /nfs/dbraw/zinc/34/69/08/352346908.db2.gz ZVIFMTPXAPTIDK-UHFFFAOYSA-N 1 1 167.212 1.042 10 0 ADAEMO C[C@H]1CC[NH2+]C[C@@H]1CN1CC=CC1 575488421 352348712 /nfs/dbraw/zinc/34/87/12/352348712.db2.gz LSNVJIZWQFMAJS-WDEREUQCSA-N 1 1 180.295 1.104 10 0 ADAEMO C[C@H]1CC[NH2+]C[C@H]1CN1CC=CC1 575488419 352348741 /nfs/dbraw/zinc/34/87/41/352348741.db2.gz LSNVJIZWQFMAJS-QWRGUYRKSA-N 1 1 180.295 1.104 10 0 ADAEMO C[C@@H]1CC[NH2+]C[C@H]1CN1CC=CC1 575488417 352348760 /nfs/dbraw/zinc/34/87/60/352348760.db2.gz LSNVJIZWQFMAJS-MNOVXSKESA-N 1 1 180.295 1.104 10 0 ADAEMO C[C@@H]1CC[NH2+]C[C@@H]1CN1CC=CC1 575488414 352348861 /nfs/dbraw/zinc/34/88/61/352348861.db2.gz 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575489192 352352387 /nfs/dbraw/zinc/35/23/87/352352387.db2.gz BHPLDZDVGWSBKX-PSASIEDQSA-N 1 1 182.267 1.880 10 0 ADAEMO C[C@@H]1CCCCC[C@@H]1[NH+]1CC(N)C1 575489279 352352413 /nfs/dbraw/zinc/35/24/13/352352413.db2.gz DWTDBQJPFRWVFB-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCCCC[C@]12COC(N)=[NH+]2 575489195 352352432 /nfs/dbraw/zinc/35/24/32/352352432.db2.gz BHPLDZDVGWSBKX-WPRPVWTQSA-N 1 1 182.267 1.880 10 0 ADAEMO C[C@H]1CCCCC[C@H]1[NH+]1CC(N)C1 575489252 352352522 /nfs/dbraw/zinc/35/25/22/352352522.db2.gz DWTDBQJPFRWVFB-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCCCC[C@@H]1[NH+]1CC(N)C1 575489281 352352669 /nfs/dbraw/zinc/35/26/69/352352669.db2.gz DWTDBQJPFRWVFB-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCCCC[C@H]1[NH+]1CC(N)C1 575489280 352352703 /nfs/dbraw/zinc/35/27/03/352352703.db2.gz DWTDBQJPFRWVFB-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1CCCCC[C@@]12COC(N)=[NH+]2 575489194 352352739 /nfs/dbraw/zinc/35/27/39/352352739.db2.gz BHPLDZDVGWSBKX-WCBMZHEXSA-N 1 1 182.267 1.880 10 0 ADAEMO C[C@@H]1CCCCC[C@@]1([NH3+])CN 575489385 352353108 /nfs/dbraw/zinc/35/31/08/352353108.db2.gz IDWFYTLHGOIUEE-RKDXNWHRSA-N 1 1 156.273 1.243 10 0 ADAEMO C[C@@H]1CCCCC[C@]1([NH3+])CN 575489382 352353149 /nfs/dbraw/zinc/35/31/49/352353149.db2.gz IDWFYTLHGOIUEE-BDAKNGLRSA-N 1 1 156.273 1.243 10 0 ADAEMO C[C@H]1CCCCC[C@]1([NH3+])CN 575489384 352353157 /nfs/dbraw/zinc/35/31/57/352353157.db2.gz IDWFYTLHGOIUEE-IUCAKERBSA-N 1 1 156.273 1.243 10 0 ADAEMO C[C@H]1CCCCC[C@@]1([NH3+])CN 575489383 352353224 /nfs/dbraw/zinc/35/32/24/352353224.db2.gz IDWFYTLHGOIUEE-DTWKUNHWSA-N 1 1 156.273 1.243 10 0 ADAEMO CC(C)C(C)(C)[N@H+]1CCC[C@H](N)C1 575489714 352354771 /nfs/dbraw/zinc/35/47/71/352354771.db2.gz IHUVDJJFLXFYDE-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO c1cc2c(s1)CC[NH2+]C21COC1 575489982 352355564 /nfs/dbraw/zinc/35/55/64/352355564.db2.gz QJLOGBFTRXKOAU-UHFFFAOYSA-N 1 1 181.260 1.119 10 0 ADAEMO CC[C@@H]1CCCCC[C@]1([NH3+])CN 575490160 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1.715 10 0 ADAEMO CC(C)C(C)(C)[N@H+]1CCC[C@@H](N)C1 575490256 352356952 /nfs/dbraw/zinc/35/69/52/352356952.db2.gz IHUVDJJFLXFYDE-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1C[N@@H+](CC2CSC2)CCC1=O 575490774 352358988 /nfs/dbraw/zinc/35/89/88/352358988.db2.gz UHASUOWWAMQHQW-MRVPVSSYSA-N 1 1 199.319 1.260 10 0 ADAEMO O=C1CC[NH+](CC2CSC2)CC1 575490877 352359329 /nfs/dbraw/zinc/35/93/29/352359329.db2.gz WJQXEAUIGUHDLG-UHFFFAOYSA-N 1 1 185.292 1.014 10 0 ADAEMO NCC12CC(C[N@@H+]1C1CCCC1)C2 575490876 352359420 /nfs/dbraw/zinc/35/94/20/352359420.db2.gz WJHYLEKEHLIQNY-UHFFFAOYSA-N 1 1 180.295 1.352 10 0 ADAEMO NCC12CC(C[N@H+]1C1CCCC1)C2 575490876 352359422 /nfs/dbraw/zinc/35/94/22/352359422.db2.gz WJHYLEKEHLIQNY-UHFFFAOYSA-N 1 1 180.295 1.352 10 0 ADAEMO CC(C)C(C)(C)[N@H+]1CCC(=O)C1 575490836 352359493 /nfs/dbraw/zinc/35/94/93/352359493.db2.gz VODOATJSYYCCEC-UHFFFAOYSA-N 1 1 169.268 1.696 10 0 ADAEMO Cc1ncc(C(=O)C2([NH3+])CC2)s1 575491576 352362678 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575514065 352482311 /nfs/dbraw/zinc/48/23/11/352482311.db2.gz IRKXSZBRHZUZBN-MMWGEVLESA-N 1 1 180.295 1.208 10 0 ADAEMO [NH3+]C[C@@H]1CCN1[C@@H]1CC[C@H]2C[C@H]2C1 575514065 352482315 /nfs/dbraw/zinc/48/23/15/352482315.db2.gz IRKXSZBRHZUZBN-MMWGEVLESA-N 1 1 180.295 1.208 10 0 ADAEMO [NH3+][C@@H]1CC[C@H](N2CCC[C@H](F)C2)C1 575514195 352482568 /nfs/dbraw/zinc/48/25/68/352482568.db2.gz FXCJZCAWCSSTMA-AEJSXWLSSA-N 1 1 186.274 1.300 10 0 ADAEMO [NH3+][C@@H]1CC[C@H](N2CCC[C@@H](F)C2)C1 575514196 352482722 /nfs/dbraw/zinc/48/27/22/352482722.db2.gz FXCJZCAWCSSTMA-BBBLOLIVSA-N 1 1 186.274 1.300 10 0 ADAEMO Cc1cc(N)c[nH+]c1N1CC(C)C1 575514253 352482732 /nfs/dbraw/zinc/48/27/32/352482732.db2.gz GQTQUAQTOSDVRS-UHFFFAOYSA-N 1 1 177.251 1.428 10 0 ADAEMO [NH3+][C@@H]1CC[C@@H](N2CCC[C@@H](F)C2)C1 575514198 352482740 /nfs/dbraw/zinc/48/27/40/352482740.db2.gz FXCJZCAWCSSTMA-OPRDCNLKSA-N 1 1 186.274 1.300 10 0 ADAEMO [NH3+][C@@H]1CC[C@@H](N2CCC[C@H](F)C2)C1 575514197 352482758 /nfs/dbraw/zinc/48/27/58/352482758.db2.gz FXCJZCAWCSSTMA-IVZWLZJFSA-N 1 1 186.274 1.300 10 0 ADAEMO [NH3+][C@@H]1CCC[C@@H]1CN1CC[C@H](F)C1 575514224 352482919 /nfs/dbraw/zinc/48/29/19/352482919.db2.gz WWADNCZLPLXOEO-KXUCPTDWSA-N 1 1 186.274 1.158 10 0 ADAEMO [NH3+][C@@H]1CCC[C@@H]1CN1CC[C@@H](F)C1 575514225 352482935 /nfs/dbraw/zinc/48/29/35/352482935.db2.gz WWADNCZLPLXOEO-OPRDCNLKSA-N 1 1 186.274 1.158 10 0 ADAEMO C[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H]1CN 575514303 352483473 /nfs/dbraw/zinc/48/34/73/352483473.db2.gz IYCGJHIQDCDKOX-OPRDCNLKSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CCC[C@H]1[N@H+]1CC[C@H]1CN 575514302 352483532 /nfs/dbraw/zinc/48/35/32/352483532.db2.gz IYCGJHIQDCDKOX-KXUCPTDWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H]1CN 575514301 352483687 /nfs/dbraw/zinc/48/36/87/352483687.db2.gz IYCGJHIQDCDKOX-BBBLOLIVSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H]1CN 575514304 352483718 /nfs/dbraw/zinc/48/37/18/352483718.db2.gz IYCGJHIQDCDKOX-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO [NH3+][C@H](c1ccccn1)c1cncs1 575514675 352485139 /nfs/dbraw/zinc/48/51/39/352485139.db2.gz LVEUPUNKPLEKCE-SECBINFHSA-N 1 1 191.259 1.586 10 0 ADAEMO [NH3+][C@@H](c1ccccn1)c1cncs1 575514677 352485167 /nfs/dbraw/zinc/48/51/67/352485167.db2.gz LVEUPUNKPLEKCE-VIFPVBQESA-N 1 1 191.259 1.586 10 0 ADAEMO C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H]1CN 575514907 352485953 /nfs/dbraw/zinc/48/59/53/352485953.db2.gz MVXJIOYOFAYNLW-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575514915 352485861 /nfs/dbraw/zinc/48/58/61/352485861.db2.gz MVXJIOYOFAYNLW-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575514913 352486004 /nfs/dbraw/zinc/48/60/04/352486004.db2.gz MVXJIOYOFAYNLW-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575514918 352486076 /nfs/dbraw/zinc/48/60/76/352486076.db2.gz MVXJIOYOFAYNLW-VWYCJHECSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1([N@H+]2CC[C@H]2CN)CCCCC1 575515125 352486508 /nfs/dbraw/zinc/48/65/08/352486508.db2.gz ONYVLFQWXCWHOQ-JTQLQIEISA-N 1 1 182.311 1.742 10 0 ADAEMO CC1([N@H+]2CC[C@@H]2CN)CCCCC1 575515126 352486854 /nfs/dbraw/zinc/48/68/54/352486854.db2.gz ONYVLFQWXCWHOQ-SNVBAGLBSA-N 1 1 182.311 1.742 10 0 ADAEMO CC1CN(c2ccc(N)c[nH+]2)C1 575515195 352487214 /nfs/dbraw/zinc/48/72/14/352487214.db2.gz NIFAUCAIPFWWKN-UHFFFAOYSA-N 1 1 163.224 1.120 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]2CN)C1 575515226 352487240 /nfs/dbraw/zinc/48/72/40/352487240.db2.gz PKPCSHOALKKHLD-KXUCPTDWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[C@H](N2CC[C@@H]2C[NH3+])C1 575515226 352487243 /nfs/dbraw/zinc/48/72/43/352487243.db2.gz PKPCSHOALKKHLD-KXUCPTDWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]2CN)C1 575515230 352487412 /nfs/dbraw/zinc/48/74/12/352487412.db2.gz PKPCSHOALKKHLD-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[C@H](N2CC[C@H]2C[NH3+])C1 575515230 352487415 /nfs/dbraw/zinc/48/74/15/352487415.db2.gz PKPCSHOALKKHLD-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]2CN)C1 575515224 352487617 /nfs/dbraw/zinc/48/76/17/352487617.db2.gz PKPCSHOALKKHLD-BBBLOLIVSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[C@@H](N2CC[C@H]2C[NH3+])C1 575515224 352487622 /nfs/dbraw/zinc/48/76/22/352487622.db2.gz PKPCSHOALKKHLD-BBBLOLIVSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]2CN)C1 575515228 352487660 /nfs/dbraw/zinc/48/76/60/352487660.db2.gz PKPCSHOALKKHLD-OPRDCNLKSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1CC[C@@H](N2CC[C@@H]2C[NH3+])C1 575515228 352487665 /nfs/dbraw/zinc/48/76/65/352487665.db2.gz PKPCSHOALKKHLD-OPRDCNLKSA-N 1 1 168.284 1.208 10 0 ADAEMO [NH3+][C@@H]1CCC[C@@H](N2CC[C@@H](F)C2)C1 575515314 352488072 /nfs/dbraw/zinc/48/80/72/352488072.db2.gz NQFAUOSBJUXXIM-OPRDCNLKSA-N 1 1 186.274 1.300 10 0 ADAEMO [NH3+][C@@H]1CCC[C@H](N2CC[C@@H](F)C2)C1 575515310 352488095 /nfs/dbraw/zinc/48/80/95/352488095.db2.gz NQFAUOSBJUXXIM-BBBLOLIVSA-N 1 1 186.274 1.300 10 0 ADAEMO [NH3+][C@@H]1CCC[C@H](N2CC[C@H](F)C2)C1 575515309 352488277 /nfs/dbraw/zinc/48/82/77/352488277.db2.gz NQFAUOSBJUXXIM-AEJSXWLSSA-N 1 1 186.274 1.300 10 0 ADAEMO [NH3+][C@@H]1CCC[C@@H](N2CC[C@H](F)C2)C1 575515311 352488457 /nfs/dbraw/zinc/48/84/57/352488457.db2.gz NQFAUOSBJUXXIM-IVZWLZJFSA-N 1 1 186.274 1.300 10 0 ADAEMO CCC1CN(c2ccc(N)c[nH+]2)C1 575515534 352490023 /nfs/dbraw/zinc/49/00/23/352490023.db2.gz PRZSVMZBBQHKCP-UHFFFAOYSA-N 1 1 177.251 1.510 10 0 ADAEMO CCC1CN(c2[nH+]cccc2N)C1 575515732 352490250 /nfs/dbraw/zinc/49/02/50/352490250.db2.gz SYRFGIQHGIZKNY-UHFFFAOYSA-N 1 1 177.251 1.510 10 0 ADAEMO C[C@@H](C(N)=S)[N@H+]1CCC[C@H](F)C1 575515908 352491014 /nfs/dbraw/zinc/49/10/14/352491014.db2.gz VPVNVFLMQMKUFS-BQBZGAKWSA-N 1 1 190.287 1.095 10 0 ADAEMO NC[C@H]1CC[N@@H+]1[C@@H]1[C@H]2CCCC[C@H]21 575515861 352491142 /nfs/dbraw/zinc/49/11/42/352491142.db2.gz UPNLLCVAQDFXFJ-ZNSHCXBVSA-N 1 1 180.295 1.208 10 0 ADAEMO NC[C@H]1CC[N@H+]1[C@@H]1[C@H]2CCCC[C@H]21 575515861 352491145 /nfs/dbraw/zinc/49/11/45/352491145.db2.gz UPNLLCVAQDFXFJ-ZNSHCXBVSA-N 1 1 180.295 1.208 10 0 ADAEMO CCC(C)(C)[N@H+]1CC[C@H]1CN 575515843 352491210 /nfs/dbraw/zinc/49/12/10/352491210.db2.gz UMYQUCZTFPASOG-QMMMGPOBSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC(C)(C)N1CC[C@H]1C[NH3+] 575515843 352491219 /nfs/dbraw/zinc/49/12/19/352491219.db2.gz UMYQUCZTFPASOG-QMMMGPOBSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@H](C(N)=S)[N@H+]1CCC[C@H](F)C1 575515915 352491295 /nfs/dbraw/zinc/49/12/95/352491295.db2.gz VPVNVFLMQMKUFS-RQJHMYQMSA-N 1 1 190.287 1.095 10 0 ADAEMO CC1CN(c2c(N)c[nH+]cc2Cl)C1 575515929 352491372 /nfs/dbraw/zinc/49/13/72/352491372.db2.gz VTEQYFXFCMMRED-UHFFFAOYSA-N 1 1 197.669 1.773 10 0 ADAEMO NC[C@@H]1CC[N@@H+]1[C@@H]1[C@H]2CCCC[C@H]21 575515859 352491404 /nfs/dbraw/zinc/49/14/04/352491404.db2.gz UPNLLCVAQDFXFJ-UKKRHICBSA-N 1 1 180.295 1.208 10 0 ADAEMO NC[C@@H]1CC[N@H+]1[C@@H]1[C@H]2CCCC[C@H]21 575515859 352491405 /nfs/dbraw/zinc/49/14/05/352491405.db2.gz UPNLLCVAQDFXFJ-UKKRHICBSA-N 1 1 180.295 1.208 10 0 ADAEMO CCC(C)(C)[N@H+]1CC[C@@H]1CN 575515842 352491438 /nfs/dbraw/zinc/49/14/38/352491438.db2.gz UMYQUCZTFPASOG-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC(C)(C)N1CC[C@@H]1C[NH3+] 575515842 352491444 /nfs/dbraw/zinc/49/14/44/352491444.db2.gz UMYQUCZTFPASOG-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CC1(C)CC[C@@H]([N@H+]2CC[C@H]2CN)C1 575515921 352491450 /nfs/dbraw/zinc/49/14/50/352491450.db2.gz VNZJATRPYIVTFS-ZJUUUORDSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)CC[C@@H](N2CC[C@H]2C[NH3+])C1 575515921 352491455 /nfs/dbraw/zinc/49/14/55/352491455.db2.gz VNZJATRPYIVTFS-ZJUUUORDSA-N 1 1 182.311 1.598 10 0 ADAEMO [NH3+]C[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](F)C1 575515980 352491831 /nfs/dbraw/zinc/49/18/31/352491831.db2.gz WJTNVKHHUSUNSG-IVZWLZJFSA-N 1 1 186.274 1.158 10 0 ADAEMO C[C@H](C(N)=S)[N@H+]1CCC[C@@H](F)C1 575515912 352491473 /nfs/dbraw/zinc/49/14/73/352491473.db2.gz VPVNVFLMQMKUFS-RNFRBKRXSA-N 1 1 190.287 1.095 10 0 ADAEMO CC1(C)CC[C@@H]([N@H+]2CC[C@@H]2CN)C1 575515914 352491483 /nfs/dbraw/zinc/49/14/83/352491483.db2.gz VNZJATRPYIVTFS-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)CC[C@@H](N2CC[C@@H]2C[NH3+])C1 575515914 352491488 /nfs/dbraw/zinc/49/14/88/352491488.db2.gz VNZJATRPYIVTFS-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)CC[C@H]([N@H+]2CC[C@@H]2CN)C1 575515919 352491513 /nfs/dbraw/zinc/49/15/13/352491513.db2.gz VNZJATRPYIVTFS-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)CC[C@H](N2CC[C@@H]2C[NH3+])C1 575515919 352491519 /nfs/dbraw/zinc/49/15/19/352491519.db2.gz VNZJATRPYIVTFS-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)CC[C@H]([N@H+]2CC[C@H]2CN)C1 575515917 352491548 /nfs/dbraw/zinc/49/15/48/352491548.db2.gz VNZJATRPYIVTFS-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)CC[C@H](N2CC[C@H]2C[NH3+])C1 575515917 352491554 /nfs/dbraw/zinc/49/15/54/352491554.db2.gz VNZJATRPYIVTFS-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H](C(N)=S)[N@H+]1CCC[C@@H](F)C1 575515910 352491573 /nfs/dbraw/zinc/49/15/73/352491573.db2.gz VPVNVFLMQMKUFS-NKWVEPMBSA-N 1 1 190.287 1.095 10 0 ADAEMO [NH3+]C[C@@H]1CCC[C@H]1N1CC[C@@H](F)C1 575515980 352491834 /nfs/dbraw/zinc/49/18/34/352491834.db2.gz WJTNVKHHUSUNSG-IVZWLZJFSA-N 1 1 186.274 1.158 10 0 ADAEMO [NH3+]C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](F)C1 575515977 352492099 /nfs/dbraw/zinc/49/20/99/352492099.db2.gz WJTNVKHHUSUNSG-AEJSXWLSSA-N 1 1 186.274 1.158 10 0 ADAEMO [NH3+]C[C@@H]1CCC[C@@H]1N1CC[C@@H](F)C1 575515977 352492100 /nfs/dbraw/zinc/49/21/00/352492100.db2.gz WJTNVKHHUSUNSG-AEJSXWLSSA-N 1 1 186.274 1.158 10 0 ADAEMO [NH3+]C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](F)C1 575515978 352492148 /nfs/dbraw/zinc/49/21/48/352492148.db2.gz WJTNVKHHUSUNSG-GUBZILKMSA-N 1 1 186.274 1.158 10 0 ADAEMO [NH3+]C[C@@H]1CCC[C@@H]1N1CC[C@H](F)C1 575515978 352492151 /nfs/dbraw/zinc/49/21/51/352492151.db2.gz WJTNVKHHUSUNSG-GUBZILKMSA-N 1 1 186.274 1.158 10 0 ADAEMO [NH3+]C[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](F)C1 575515982 352492187 /nfs/dbraw/zinc/49/21/87/352492187.db2.gz WJTNVKHHUSUNSG-LPEHRKFASA-N 1 1 186.274 1.158 10 0 ADAEMO [NH3+]C[C@@H]1CCC[C@H]1N1CC[C@H](F)C1 575515982 352492190 /nfs/dbraw/zinc/49/21/90/352492190.db2.gz WJTNVKHHUSUNSG-LPEHRKFASA-N 1 1 186.274 1.158 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@@H]2CN)CC[C@H]1C 575516207 352492568 /nfs/dbraw/zinc/49/25/68/352492568.db2.gz YTQAAJWWJDZFPG-YTWAJWBKSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CN(c2[nH+]cccc2N)C1 575516232 352492786 /nfs/dbraw/zinc/49/27/86/352492786.db2.gz YIQDOJFZYUFLGD-UHFFFAOYSA-N 1 1 163.224 1.120 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]2CN)[C@@H]1C 575516205 352492839 /nfs/dbraw/zinc/49/28/39/352492839.db2.gz YTQAAJWWJDZFPG-DBIOUOCHSA-N 1 1 182.311 1.454 10 0 ADAEMO NC[C@@H]1CC[N@@H+]1[C@]12CCCC[C@H]1C2 575516168 352492852 /nfs/dbraw/zinc/49/28/52/352492852.db2.gz YIWKGVLBYDHXJQ-DCAQKATOSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@@H]1CC[N@H+]1[C@]12CCCC[C@H]1C2 575516168 352492856 /nfs/dbraw/zinc/49/28/56/352492856.db2.gz YIWKGVLBYDHXJQ-DCAQKATOSA-N 1 1 180.295 1.352 10 0 ADAEMO C[C@@H]1[C@@H]([N@H+]2CC[C@H]2CN)CC[C@H]1C 575516206 352492897 /nfs/dbraw/zinc/49/28/97/352492897.db2.gz YTQAAJWWJDZFPG-RCWTZXSCSA-N 1 1 182.311 1.454 10 0 ADAEMO NC[C@@H]1CC[N@@H+]1[C@@]12CCCC[C@@H]1C2 575516172 352492931 /nfs/dbraw/zinc/49/29/31/352492931.db2.gz YIWKGVLBYDHXJQ-OUAUKWLOSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@@H]1CC[N@H+]1[C@@]12CCCC[C@@H]1C2 575516172 352492933 /nfs/dbraw/zinc/49/29/33/352492933.db2.gz YIWKGVLBYDHXJQ-OUAUKWLOSA-N 1 1 180.295 1.352 10 0 ADAEMO NC1(C[N@@H+]2CCCC3(CC3)C2)CC1 575516662 352493320 /nfs/dbraw/zinc/49/33/20/352493320.db2.gz BBDHNPPVVMNYLV-UHFFFAOYSA-N 1 1 180.295 1.354 10 0 ADAEMO NC1(C[N@H+]2CCCC3(CC3)C2)CC1 575516662 352493323 /nfs/dbraw/zinc/49/33/23/352493323.db2.gz BBDHNPPVVMNYLV-UHFFFAOYSA-N 1 1 180.295 1.354 10 0 ADAEMO [NH3+]C1(CN2CCCC3(CC3)C2)CC1 575516662 352493329 /nfs/dbraw/zinc/49/33/29/352493329.db2.gz BBDHNPPVVMNYLV-UHFFFAOYSA-N 1 1 180.295 1.354 10 0 ADAEMO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]2C[NH3+])[C@@H]1C 575516290 352493400 /nfs/dbraw/zinc/49/34/00/352493400.db2.gz YTQAAJWWJDZFPG-ZNSHCXBVSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CN(c2ccc[nH+]c2N)C1 575516283 352493697 /nfs/dbraw/zinc/49/36/97/352493697.db2.gz ZKMNCOKZJAIMFJ-UHFFFAOYSA-N 1 1 163.224 1.120 10 0 ADAEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2CC(N)=S 575516707 352493885 /nfs/dbraw/zinc/49/38/85/352493885.db2.gz COUPMPKNSSYKDJ-CBLAIPOGSA-N 1 1 198.335 1.535 10 0 ADAEMO CC(C)[N@@H+](C)C1(C(N)=S)CC1 575516757 352493980 /nfs/dbraw/zinc/49/39/80/352493980.db2.gz DUZYPFNRFDJWBU-UHFFFAOYSA-N 1 1 172.297 1.145 10 0 ADAEMO C[C@@H](C(N)=S)[N@H+]1CCCC2(CC2)C1 575516723 352494082 /nfs/dbraw/zinc/49/40/82/352494082.db2.gz DFHYGHLEXHKYOT-QMMMGPOBSA-N 1 1 198.335 1.537 10 0 ADAEMO C[C@H](C(N)=S)[N@H+]1CCCC2(CC2)C1 575516722 352494246 /nfs/dbraw/zinc/49/42/46/352494246.db2.gz DFHYGHLEXHKYOT-MRVPVSSYSA-N 1 1 198.335 1.537 10 0 ADAEMO NC(=S)C[N@H+]1CCCC2(CC2)C1 575516770 352494324 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/nfs/dbraw/zinc/53/72/60/352537260.db2.gz OEPWIOMBNGBODG-DTORHVGOSA-N 1 1 181.279 1.553 10 0 ADAEMO C/C=C/C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 575526051 352537733 /nfs/dbraw/zinc/53/77/33/352537733.db2.gz PKUKMMQCWCPQNL-NUNSBDKSSA-N 1 1 181.279 1.719 10 0 ADAEMO C/C=C/C[NH+]1C[C@H](C)C(=O)[C@@H](C)C1 575526050 352537915 /nfs/dbraw/zinc/53/79/15/352537915.db2.gz PKUKMMQCWCPQNL-AWAZDUCLSA-N 1 1 181.279 1.719 10 0 ADAEMO C[C@H](C(N)=S)[N@@H+]1C[C@H]2CC[C@H]2C1 575526145 352538372 /nfs/dbraw/zinc/53/83/72/352538372.db2.gz QTKRFYRGVHMEGF-PRJMDXOYSA-N 1 1 184.308 1.003 10 0 ADAEMO C1CNCC[N@@H+](C2(C3CC3)CC2)C1 575526215 352538408 /nfs/dbraw/zinc/53/84/08/352538408.db2.gz QVBMETPKPLUGEU-UHFFFAOYSA-N 1 1 180.295 1.224 10 0 ADAEMO C1C[NH2+]CCN(C2(C3CC3)CC2)C1 575526215 352538411 /nfs/dbraw/zinc/53/84/11/352538411.db2.gz QVBMETPKPLUGEU-UHFFFAOYSA-N 1 1 180.295 1.224 10 0 ADAEMO C[C@@H](C(N)=S)[N@@H+]1C[C@H]2CC[C@H]2C1 575526138 352538537 /nfs/dbraw/zinc/53/85/37/352538537.db2.gz QTKRFYRGVHMEGF-BIIVOSGPSA-N 1 1 184.308 1.003 10 0 ADAEMO C1CC(C2(N3CC[NH2+]CC3)CC2)C1 575526104 352538605 /nfs/dbraw/zinc/53/86/05/352538605.db2.gz OLQDKWGBEBRFAS-UHFFFAOYSA-N 1 1 180.295 1.224 10 0 ADAEMO C/C=C/C[N@@H+]1C[C@H](C)C(=O)[C@H](C)C1 575526052 352538938 /nfs/dbraw/zinc/53/89/38/352538938.db2.gz PKUKMMQCWCPQNL-XYBNDFSHSA-N 1 1 181.279 1.719 10 0 ADAEMO C/C=C/C[N@H+]1C[C@H](C)C(=O)[C@H](C)C1 575526052 352538940 /nfs/dbraw/zinc/53/89/40/352538940.db2.gz PKUKMMQCWCPQNL-XYBNDFSHSA-N 1 1 181.279 1.719 10 0 ADAEMO Cc1ccc(-c2ccc[nH]2)c(N)[nH+]1 575526297 352539506 /nfs/dbraw/zinc/53/95/06/352539506.db2.gz SFSGKXRLCSAMHQ-UHFFFAOYSA-N 1 1 173.219 1.967 10 0 ADAEMO CC(C)(CN)[NH+]1C[C@@H]2CC[C@H]2C1 575526263 352539520 /nfs/dbraw/zinc/53/95/20/352539520.db2.gz ROPZNFZEWJYHHJ-IUCAKERBSA-N 1 1 168.284 1.066 10 0 ADAEMO CC(C)(CN)[N@H+]1C[C@H]2CC[C@H]2C1 575526261 352539703 /nfs/dbraw/zinc/53/97/03/352539703.db2.gz ROPZNFZEWJYHHJ-DTORHVGOSA-N 1 1 168.284 1.066 10 0 ADAEMO CC(C)(CN)[N@@H+]1C[C@H]2CC[C@H]2C1 575526261 352539705 /nfs/dbraw/zinc/53/97/05/352539705.db2.gz ROPZNFZEWJYHHJ-DTORHVGOSA-N 1 1 168.284 1.066 10 0 ADAEMO [NH3+]C1(C[N@@H+]2C[C@H]3CC[C@H]3C2)CCC1 575526530 352540037 /nfs/dbraw/zinc/54/00/37/352540037.db2.gz UZRDGCPHLGZSSY-AOOOYVTPSA-N 1 1 180.295 1.210 10 0 ADAEMO NC1(C[N@H+]2C[C@H]3CC[C@H]3C2)CCC1 575526530 352540041 /nfs/dbraw/zinc/54/00/41/352540041.db2.gz UZRDGCPHLGZSSY-AOOOYVTPSA-N 1 1 180.295 1.210 10 0 ADAEMO NC1(C[N@@H+]2C[C@H]3CC[C@H]3C2)CCC1 575526530 352540043 /nfs/dbraw/zinc/54/00/43/352540043.db2.gz UZRDGCPHLGZSSY-AOOOYVTPSA-N 1 1 180.295 1.210 10 0 ADAEMO NC1(C[NH+]2C[C@@H]3CC[C@H]3C2)CCC1 575526532 352540119 /nfs/dbraw/zinc/54/01/19/352540119.db2.gz UZRDGCPHLGZSSY-UWVGGRQHSA-N 1 1 180.295 1.210 10 0 ADAEMO NC[C@H]1CC[N@@H+]1C1CC2(CCC2)C1 575526503 352540311 /nfs/dbraw/zinc/54/03/11/352540311.db2.gz UEDLXGRKWPFONS-SECBINFHSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@H]1CC[N@H+]1C1CC2(CCC2)C1 575526503 352540312 /nfs/dbraw/zinc/54/03/12/352540312.db2.gz UEDLXGRKWPFONS-SECBINFHSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@@H]1CC[N@@H+]1C1CC2(CCC2)C1 575526504 352540406 /nfs/dbraw/zinc/54/04/06/352540406.db2.gz UEDLXGRKWPFONS-VIFPVBQESA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@@H]1CC[N@H+]1C1CC2(CCC2)C1 575526504 352540407 /nfs/dbraw/zinc/54/04/07/352540407.db2.gz UEDLXGRKWPFONS-VIFPVBQESA-N 1 1 180.295 1.352 10 0 ADAEMO NC1(C[NH+]2C[C@H]3CC[C@@H]3C2)CCC1 575526531 352540423 /nfs/dbraw/zinc/54/04/23/352540423.db2.gz UZRDGCPHLGZSSY-NXEZZACHSA-N 1 1 180.295 1.210 10 0 ADAEMO CCC[N@H+]1C[C@H](C)C(=O)[C@H](C)C1 575526614 352540427 /nfs/dbraw/zinc/54/04/27/352540427.db2.gz WRMYXDZZPZVOQC-DTORHVGOSA-N 1 1 169.268 1.553 10 0 ADAEMO N[C@H]1CCC[N@H+](C2(C3CC3)CC2)C1 575526679 352540624 /nfs/dbraw/zinc/54/06/24/352540624.db2.gz WMBCSPXMOLRLAO-JTQLQIEISA-N 1 1 180.295 1.352 10 0 ADAEMO [NH3+][C@H]1CCCN(C2(C3CC3)CC2)C1 575526679 352540625 /nfs/dbraw/zinc/54/06/25/352540625.db2.gz WMBCSPXMOLRLAO-JTQLQIEISA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@@H]1CCC[N@H+](C2(C3CC3)CC2)C1 575526680 352540992 /nfs/dbraw/zinc/54/09/92/352540992.db2.gz WMBCSPXMOLRLAO-SNVBAGLBSA-N 1 1 180.295 1.352 10 0 ADAEMO NCC1([N@H+]2C[C@H]3CC[C@H]3C2)CCC1 575526830 352541400 /nfs/dbraw/zinc/54/14/00/352541400.db2.gz ZMLXDXSZIUXREP-AOOOYVTPSA-N 1 1 180.295 1.210 10 0 ADAEMO NCC1([N@@H+]2C[C@H]3CC[C@H]3C2)CCC1 575526830 352541403 /nfs/dbraw/zinc/54/14/03/352541403.db2.gz ZMLXDXSZIUXREP-AOOOYVTPSA-N 1 1 180.295 1.210 10 0 ADAEMO NCC1([NH+]2C[C@H]3CC[C@@H]3C2)CCC1 575526834 352541677 /nfs/dbraw/zinc/54/16/77/352541677.db2.gz ZMLXDXSZIUXREP-NXEZZACHSA-N 1 1 180.295 1.210 10 0 ADAEMO NCC1([NH+]2C[C@@H]3CC[C@H]3C2)CCC1 575526835 352541703 /nfs/dbraw/zinc/54/17/03/352541703.db2.gz ZMLXDXSZIUXREP-UWVGGRQHSA-N 1 1 180.295 1.210 10 0 ADAEMO NC[C@@]1([NH3+])CCC12CCCCC2 575527061 352542282 /nfs/dbraw/zinc/54/22/82/352542282.db2.gz BXBXSLBMQFBBLY-JTQLQIEISA-N 1 1 168.284 1.387 10 0 ADAEMO N[C@]1(C[NH3+])CCC12CCCCC2 575527061 352542284 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1.278 10 0 ADAEMO C[N@H+]1CC[C@H](C(=O)c2cnsc2)C1 575530039 352554508 /nfs/dbraw/zinc/55/45/08/352554508.db2.gz FEMXTBYNFLELOJ-ZETCQYMHSA-N 1 1 196.275 1.278 10 0 ADAEMO C1C[C@H]2C[C@@]2(C[NH+]2CCNCC2)C1 575530068 352554538 /nfs/dbraw/zinc/55/45/38/352554538.db2.gz BGSUTCRLFGXCJP-WDEREUQCSA-N 1 1 180.295 1.082 10 0 ADAEMO C1C[C@@H]2C[C@]2(C[NH+]2CCNCC2)C1 575530064 352554633 /nfs/dbraw/zinc/55/46/33/352554633.db2.gz BGSUTCRLFGXCJP-MNOVXSKESA-N 1 1 180.295 1.082 10 0 ADAEMO C[N@H+]1CC[C@@H](C(=O)c2cnsc2)C1 575530038 352554655 /nfs/dbraw/zinc/55/46/55/352554655.db2.gz FEMXTBYNFLELOJ-SSDOTTSWSA-N 1 1 196.275 1.278 10 0 ADAEMO C[N@H+]1CC[C@@H](C(=O)c2cccs2)C1 575530325 352555859 /nfs/dbraw/zinc/55/58/59/352555859.db2.gz HZTFMBOOWTXMRA-MRVPVSSYSA-N 1 1 195.287 1.883 10 0 ADAEMO C[N@H+]1CC[C@H](C(=O)C(C)(C)C)C1 575530374 352555938 /nfs/dbraw/zinc/55/59/38/352555938.db2.gz IKPDALQXRUSYRV-QMMMGPOBSA-N 1 1 169.268 1.553 10 0 ADAEMO C[N@H+]1CC[C@@H](C(=O)C(C)(C)C)C1 575530369 352555969 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/nfs/dbraw/zinc/60/05/78/352600578.db2.gz YHKUFGGWVGRZKB-YFKPBYRVSA-N 1 1 181.264 1.264 10 0 ADAEMO [NH3+]Cc1nnc([C@H]2CC23CC3)s1 575539627 352600678 /nfs/dbraw/zinc/60/06/78/352600678.db2.gz YHKUFGGWVGRZKB-RXMQYKEDSA-N 1 1 181.264 1.264 10 0 ADAEMO NCC1([N@@H+]2CC[C@@H]3C[C@@H]32)CCCC1 575539715 352601485 /nfs/dbraw/zinc/60/14/85/352601485.db2.gz ZTRXUFMIPPECNZ-ZJUUUORDSA-N 1 1 180.295 1.352 10 0 ADAEMO NCC1([N@H+]2CC[C@@H]3C[C@@H]32)CCCC1 575539715 352601487 /nfs/dbraw/zinc/60/14/87/352601487.db2.gz ZTRXUFMIPPECNZ-ZJUUUORDSA-N 1 1 180.295 1.352 10 0 ADAEMO NCC1([N@@H+]2CC[C@H]3C[C@H]32)CCCC1 575539714 352601563 /nfs/dbraw/zinc/60/15/63/352601563.db2.gz ZTRXUFMIPPECNZ-VHSXEESVSA-N 1 1 180.295 1.352 10 0 ADAEMO NCC1([N@H+]2CC[C@H]3C[C@H]32)CCCC1 575539714 352601564 /nfs/dbraw/zinc/60/15/64/352601564.db2.gz ZTRXUFMIPPECNZ-VHSXEESVSA-N 1 1 180.295 1.352 10 0 ADAEMO CCc1c[nH]c(N2C[C@H](C)[C@@H]2C)[nH+]1 575540779 352604922 /nfs/dbraw/zinc/60/49/22/352604922.db2.gz 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C[C@H]1CCCC[N@@H+](C[C@@H]2CO2)C1 575540808 352605193 /nfs/dbraw/zinc/60/51/93/352605193.db2.gz BGPZOTUEXGFULS-VHSXEESVSA-N 1 1 169.268 1.507 10 0 ADAEMO C[C@@H]1CCCC[N@@H+](C[C@@H]2CO2)C1 575540806 352605216 /nfs/dbraw/zinc/60/52/16/352605216.db2.gz BGPZOTUEXGFULS-NXEZZACHSA-N 1 1 169.268 1.507 10 0 ADAEMO C1C[N@H+](C[C@@H]2CO2)CCC2(C1)CC2 575540996 352605581 /nfs/dbraw/zinc/60/55/81/352605581.db2.gz JRGFJWBGAMDERW-SNVBAGLBSA-N 1 1 181.279 1.651 10 0 ADAEMO C1C[N@H+](C[C@H]2CO2)CCC2(C1)CC2 575540982 352605620 /nfs/dbraw/zinc/60/56/20/352605620.db2.gz JRGFJWBGAMDERW-JTQLQIEISA-N 1 1 181.279 1.651 10 0 ADAEMO CC(F)(F)C[NH2+]C1(C)CC1 575541018 352605840 /nfs/dbraw/zinc/60/58/40/352605840.db2.gz CQYCFFUCVVPUAV-UHFFFAOYSA-N 1 1 149.184 1.784 10 0 ADAEMO C[C@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CO1 575541709 352608265 /nfs/dbraw/zinc/60/82/65/352608265.db2.gz ZUCMIGZBIQLMNW-HRDYMLBCSA-N 1 1 155.241 1.258 10 0 ADAEMO C[C@H]1CC[C@@H](C)[N@H+]1C[C@H]1CO1 575541721 352608292 /nfs/dbraw/zinc/60/82/92/352608292.db2.gz ZUCMIGZBIQLMNW-YIZRAAEISA-N 1 1 155.241 1.258 10 0 ADAEMO O[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCC1(F)F 575541735 352608409 /nfs/dbraw/zinc/60/84/09/352608409.db2.gz KWLYNYKFKWYDSP-BWZBUEFSSA-N 1 1 191.221 1.287 10 0 ADAEMO O[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC1(F)F 575541737 352608637 /nfs/dbraw/zinc/60/86/37/352608637.db2.gz KWLYNYKFKWYDSP-RNJXMRFFSA-N 1 1 191.221 1.287 10 0 ADAEMO O[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC1(F)F 575541738 352608643 /nfs/dbraw/zinc/60/86/43/352608643.db2.gz KWLYNYKFKWYDSP-XLPZGREQSA-N 1 1 191.221 1.287 10 0 ADAEMO O[C@@H]1CC[C@H]1[NH2+][C@H]1CCCC1(F)F 575541736 352608693 /nfs/dbraw/zinc/60/86/93/352608693.db2.gz KWLYNYKFKWYDSP-PRJMDXOYSA-N 1 1 191.221 1.287 10 0 ADAEMO CC[C@@H]1C[NH2+]C[C@@H]1N1CC[C@@H]2C[C@@H]21 575542028 352609472 /nfs/dbraw/zinc/60/94/72/352609472.db2.gz MXQPUPMRQAKNQM-ZNSHCXBVSA-N 1 1 180.295 1.079 10 0 ADAEMO CC[C@@H]1C[NH2+]C[C@@H]1N1CC[C@H]2C[C@H]21 575542026 352609626 /nfs/dbraw/zinc/60/96/26/352609626.db2.gz MXQPUPMRQAKNQM-YTWAJWBKSA-N 1 1 180.295 1.079 10 0 ADAEMO C[C@@H]1CC[C@H](N2CC[C@H]3C[C@H]32)C[NH2+]1 575542668 352611527 /nfs/dbraw/zinc/61/15/27/352611527.db2.gz YHXRQZXNRZOCML-VPOLOUISSA-N 1 1 180.295 1.221 10 0 ADAEMO C[C@@H]1NCCC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575542705 352611538 /nfs/dbraw/zinc/61/15/38/352611538.db2.gz YYAGLRKUGAHCAC-XWLWVQCSSA-N 1 1 180.295 1.221 10 0 ADAEMO C[C@@H]1NCCC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575542705 352611540 /nfs/dbraw/zinc/61/15/40/352611540.db2.gz YYAGLRKUGAHCAC-XWLWVQCSSA-N 1 1 180.295 1.221 10 0 ADAEMO C[C@@H]1CC[C@H](N2CC[C@@H]3C[C@@H]32)C[NH2+]1 575542669 352611553 /nfs/dbraw/zinc/61/15/53/352611553.db2.gz YHXRQZXNRZOCML-ZNSHCXBVSA-N 1 1 180.295 1.221 10 0 ADAEMO C[C@@H]1NCCC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575542704 352611597 /nfs/dbraw/zinc/61/15/97/352611597.db2.gz YYAGLRKUGAHCAC-VLEAKVRGSA-N 1 1 180.295 1.221 10 0 ADAEMO C[C@@H]1NCCC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575542704 352611599 /nfs/dbraw/zinc/61/15/99/352611599.db2.gz YYAGLRKUGAHCAC-VLEAKVRGSA-N 1 1 180.295 1.221 10 0 ADAEMO [NH3+]C1(CN2CC[C@H]3C[C@H]32)CCCC1 575542805 352612140 /nfs/dbraw/zinc/61/21/40/352612140.db2.gz KQZFEUMMDBIMHB-VHSXEESVSA-N 1 1 180.295 1.352 10 0 ADAEMO [NH3+]C1(CN2CC[C@@H]3C[C@@H]32)CCCC1 575542806 352612207 /nfs/dbraw/zinc/61/22/07/352612207.db2.gz KQZFEUMMDBIMHB-ZJUUUORDSA-N 1 1 180.295 1.352 10 0 ADAEMO C[C@@H]1CC[N@@H+]1C1(CN)CCCCC1 575542786 352612264 /nfs/dbraw/zinc/61/22/64/352612264.db2.gz KQPQJEBLIRCBLF-SNVBAGLBSA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@@H]1CC[N@H+]1C1(CN)CCCCC1 575542786 352612267 /nfs/dbraw/zinc/61/22/67/352612267.db2.gz KQPQJEBLIRCBLF-SNVBAGLBSA-N 1 1 182.311 1.742 10 0 ADAEMO NCC1([NH+]2CC=CC2)CCCCC1 575542900 352612321 /nfs/dbraw/zinc/61/23/21/352612321.db2.gz LOLSVQDDAWGTBP-UHFFFAOYSA-N 1 1 180.295 1.520 10 0 ADAEMO C[C@H]1CC[N@@H+]1C1(CN)CCCCC1 575542785 352612334 /nfs/dbraw/zinc/61/23/34/352612334.db2.gz KQPQJEBLIRCBLF-JTQLQIEISA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@H]1CC[N@H+]1C1(CN)CCCCC1 575542785 352612335 /nfs/dbraw/zinc/61/23/35/352612335.db2.gz KQPQJEBLIRCBLF-JTQLQIEISA-N 1 1 182.311 1.742 10 0 ADAEMO CC(F)(F)C[NH2+]C1CC=CC1 575542918 352612346 /nfs/dbraw/zinc/61/23/46/352612346.db2.gz MCTGNCWUAIPSFJ-UHFFFAOYSA-N 1 1 161.195 1.950 10 0 ADAEMO C[C@H]1C[C@H]1[NH2+]CC(C)(F)F 575543149 352613630 /nfs/dbraw/zinc/61/36/30/352613630.db2.gz ODRNPSHYGRSJIH-NTSWFWBYSA-N 1 1 149.184 1.640 10 0 ADAEMO C[C@H]1C[C@@H]1[NH2+]CC(C)(F)F 575543152 352613468 /nfs/dbraw/zinc/61/34/68/352613468.db2.gz ODRNPSHYGRSJIH-WDSKDSINSA-N 1 1 149.184 1.640 10 0 ADAEMO C[C@@H]1C[C@H]1[NH2+]CC(C)(F)F 575543150 352613671 /nfs/dbraw/zinc/61/36/71/352613671.db2.gz ODRNPSHYGRSJIH-PHDIDXHHSA-N 1 1 149.184 1.640 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+]CC(C)(F)F 575543151 352613779 /nfs/dbraw/zinc/61/37/79/352613779.db2.gz ODRNPSHYGRSJIH-RITPCOANSA-N 1 1 149.184 1.640 10 0 ADAEMO CC1(C)CCN1[C@@H]1CCC[C@H]1[NH3+] 575543851 352615892 /nfs/dbraw/zinc/61/58/92/352615892.db2.gz BGSRGWJITKVKPV-RKDXNWHRSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[N@@H+]1[C@@H]1CCC[C@H]1N 575543851 352615895 /nfs/dbraw/zinc/61/58/95/352615895.db2.gz BGSRGWJITKVKPV-RKDXNWHRSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[N@H+]1[C@@H]1CCC[C@H]1N 575543851 352615896 /nfs/dbraw/zinc/61/58/96/352615896.db2.gz BGSRGWJITKVKPV-RKDXNWHRSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CCN1[C@H]1CCC[C@H]1[NH3+] 575543848 352616093 /nfs/dbraw/zinc/61/60/93/352616093.db2.gz BGSRGWJITKVKPV-BDAKNGLRSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[N@@H+]1[C@H]1CCC[C@H]1N 575543848 352616095 /nfs/dbraw/zinc/61/60/95/352616095.db2.gz BGSRGWJITKVKPV-BDAKNGLRSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[N@H+]1[C@H]1CCC[C@H]1N 575543848 352616097 /nfs/dbraw/zinc/61/60/97/352616097.db2.gz BGSRGWJITKVKPV-BDAKNGLRSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CCN1[C@@H]1CCC[C@@H]1[NH3+] 575543849 352616137 /nfs/dbraw/zinc/61/61/37/352616137.db2.gz BGSRGWJITKVKPV-DTWKUNHWSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[N@@H+]1[C@@H]1CCC[C@@H]1N 575543849 352616138 /nfs/dbraw/zinc/61/61/38/352616138.db2.gz BGSRGWJITKVKPV-DTWKUNHWSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[N@H+]1[C@@H]1CCC[C@@H]1N 575543849 352616141 /nfs/dbraw/zinc/61/61/41/352616141.db2.gz BGSRGWJITKVKPV-DTWKUNHWSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CCN1[C@H]1CCC[C@@H]1[NH3+] 575543850 352616203 /nfs/dbraw/zinc/61/62/03/352616203.db2.gz BGSRGWJITKVKPV-IUCAKERBSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[N@@H+]1[C@H]1CCC[C@@H]1N 575543850 352616206 /nfs/dbraw/zinc/61/62/06/352616206.db2.gz BGSRGWJITKVKPV-IUCAKERBSA-N 1 1 168.284 1.351 10 0 ADAEMO CC1(C)CC[N@H+]1[C@H]1CCC[C@@H]1N 575543850 352616207 /nfs/dbraw/zinc/61/62/07/352616207.db2.gz BGSRGWJITKVKPV-IUCAKERBSA-N 1 1 168.284 1.351 10 0 ADAEMO CN(C)[C@]1(C[NH3+])CCCC12CC2 575544096 352616574 /nfs/dbraw/zinc/61/65/74/352616574.db2.gz UHBHZLACTNSMDA-JTQLQIEISA-N 1 1 168.284 1.210 10 0 ADAEMO NC[C@]1([NH+]2CCC2)CCCC12CC2 575544083 352616583 /nfs/dbraw/zinc/61/65/83/352616583.db2.gz UCJKGQRRGUJGON-LLVKDONJSA-N 1 1 180.295 1.354 10 0 ADAEMO CN(C)[C@@]1(C[NH3+])CCCC12CC2 575544103 352616662 /nfs/dbraw/zinc/61/66/62/352616662.db2.gz UHBHZLACTNSMDA-SNVBAGLBSA-N 1 1 168.284 1.210 10 0 ADAEMO NC[C@@]1([NH+]2CCC2)CCCC12CC2 575544086 352616834 /nfs/dbraw/zinc/61/68/34/352616834.db2.gz UCJKGQRRGUJGON-NSHDSACASA-N 1 1 180.295 1.354 10 0 ADAEMO CC(C[N@H+]1CC[C@@H]2C[C@@H]21)=C1C[NH2+]C1 575544191 352617197 /nfs/dbraw/zinc/61/71/97/352617197.db2.gz VDLDDPVKSGGJRG-KOLCDFICSA-N 1 1 178.279 1.000 10 0 ADAEMO C[N@H+]1CCC[C@@H]1C(=O)c1ccco1 575544284 352617303 /nfs/dbraw/zinc/61/73/03/352617303.db2.gz DOTBNWIVYPEANV-MRVPVSSYSA-N 1 1 179.219 1.557 10 0 ADAEMO C[N@@H+]1CCC[C@@H]1C(=O)c1ccco1 575544284 352617300 /nfs/dbraw/zinc/61/73/00/352617300.db2.gz DOTBNWIVYPEANV-MRVPVSSYSA-N 1 1 179.219 1.557 10 0 ADAEMO C[N@@H+]1CCC[C@H]1C(=O)c1ccco1 575544285 352617506 /nfs/dbraw/zinc/61/75/06/352617506.db2.gz DOTBNWIVYPEANV-QMMMGPOBSA-N 1 1 179.219 1.557 10 0 ADAEMO C[N@H+]1CCC[C@H]1C(=O)c1ccco1 575544285 352617508 /nfs/dbraw/zinc/61/75/08/352617508.db2.gz DOTBNWIVYPEANV-QMMMGPOBSA-N 1 1 179.219 1.557 10 0 ADAEMO CC(C[N@H+]1CC[C@H]2C[C@H]21)=C1C[NH2+]C1 575544189 352617675 /nfs/dbraw/zinc/61/76/75/352617675.db2.gz VDLDDPVKSGGJRG-GXSJLCMTSA-N 1 1 178.279 1.000 10 0 ADAEMO C[N@@H+]1CCC[C@@H]1C(=O)c1ccc[nH]1 575544503 352618020 /nfs/dbraw/zinc/61/80/20/352618020.db2.gz DZSPZNZIBCFTLW-SECBINFHSA-N 1 1 178.235 1.292 10 0 ADAEMO C[N@H+]1CCC[C@@H]1C(=O)c1ccc[nH]1 575544503 352618024 /nfs/dbraw/zinc/61/80/24/352618024.db2.gz DZSPZNZIBCFTLW-SECBINFHSA-N 1 1 178.235 1.292 10 0 ADAEMO C[N@@H+]1CCC[C@H]1C(=O)c1ccc[nH]1 575544506 352618232 /nfs/dbraw/zinc/61/82/32/352618232.db2.gz DZSPZNZIBCFTLW-VIFPVBQESA-N 1 1 178.235 1.292 10 0 ADAEMO C[N@H+]1CCC[C@H]1C(=O)c1ccc[nH]1 575544506 352618235 /nfs/dbraw/zinc/61/82/35/352618235.db2.gz DZSPZNZIBCFTLW-VIFPVBQESA-N 1 1 178.235 1.292 10 0 ADAEMO CC1(C)CC[N@@H+]1[C@H]1CCCC[C@H]1N 575544678 352618561 /nfs/dbraw/zinc/61/85/61/352618561.db2.gz GJJHWHWEGCGUIK-ZJUUUORDSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CC[N@H+]1[C@H]1CCCC[C@H]1N 575544678 352618563 /nfs/dbraw/zinc/61/85/63/352618563.db2.gz GJJHWHWEGCGUIK-ZJUUUORDSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CCN1[C@H]1CCCC[C@H]1[NH3+] 575544678 352618565 /nfs/dbraw/zinc/61/85/65/352618565.db2.gz GJJHWHWEGCGUIK-ZJUUUORDSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CC[N@@H+]1[C@H]1CCCC[C@@H]1N 575544675 352618914 /nfs/dbraw/zinc/61/89/14/352618914.db2.gz GJJHWHWEGCGUIK-UWVGGRQHSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CC[N@H+]1[C@H]1CCCC[C@@H]1N 575544675 352618916 /nfs/dbraw/zinc/61/89/16/352618916.db2.gz GJJHWHWEGCGUIK-UWVGGRQHSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CCN1[C@H]1CCCC[C@@H]1[NH3+] 575544675 352618920 /nfs/dbraw/zinc/61/89/20/352618920.db2.gz GJJHWHWEGCGUIK-UWVGGRQHSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CC[N@@H+]1[C@@H]1CCCC[C@@H]1N 575544677 352618946 /nfs/dbraw/zinc/61/89/46/352618946.db2.gz GJJHWHWEGCGUIK-VHSXEESVSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CC[N@H+]1[C@@H]1CCCC[C@@H]1N 575544677 352618948 /nfs/dbraw/zinc/61/89/48/352618948.db2.gz GJJHWHWEGCGUIK-VHSXEESVSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CCN1[C@@H]1CCCC[C@@H]1[NH3+] 575544677 352618952 /nfs/dbraw/zinc/61/89/52/352618952.db2.gz GJJHWHWEGCGUIK-VHSXEESVSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CC[N@@H+]1[C@@H]1CCCC[C@H]1N 575544674 352618969 /nfs/dbraw/zinc/61/89/69/352618969.db2.gz GJJHWHWEGCGUIK-NXEZZACHSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CC[N@H+]1[C@@H]1CCCC[C@H]1N 575544674 352618972 /nfs/dbraw/zinc/61/89/72/352618972.db2.gz GJJHWHWEGCGUIK-NXEZZACHSA-N 1 1 182.311 1.741 10 0 ADAEMO CC1(C)CCN1[C@@H]1CCCC[C@H]1[NH3+] 575544674 352618975 /nfs/dbraw/zinc/61/89/75/352618975.db2.gz GJJHWHWEGCGUIK-NXEZZACHSA-N 1 1 182.311 1.741 10 0 ADAEMO CC(C)[N@H+]1CCCCC[C@H](N)C1 575544753 352619345 /nfs/dbraw/zinc/61/93/45/352619345.db2.gz AWUNQXRZPXMWNO-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)N1CCCCC[C@H]([NH3+])C1 575544753 352619347 /nfs/dbraw/zinc/61/93/47/352619347.db2.gz AWUNQXRZPXMWNO-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)[N@H+]1CCCCC[C@@H](N)C1 575544754 352619658 /nfs/dbraw/zinc/61/96/58/352619658.db2.gz AWUNQXRZPXMWNO-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CC(C)N1CCCCC[C@@H]([NH3+])C1 575544754 352619659 /nfs/dbraw/zinc/61/96/59/352619659.db2.gz AWUNQXRZPXMWNO-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO NC[C@H]1CC[N@@H+]1[C@H]1CCCC12CC2 575544998 352619974 /nfs/dbraw/zinc/61/99/74/352619974.db2.gz ZCMPXKZUCDGURK-ZJUUUORDSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@H]1CC[N@H+]1[C@H]1CCCC12CC2 575544998 352619976 /nfs/dbraw/zinc/61/99/76/352619976.db2.gz ZCMPXKZUCDGURK-ZJUUUORDSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@@H]1CC[N@H+]1[C@H]1CCCC12CC2 575544996 352620020 /nfs/dbraw/zinc/62/00/20/352620020.db2.gz ZCMPXKZUCDGURK-UWVGGRQHSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@H]1CC[N@@H+]1[C@@H]1CCCC12CC2 575544995 352620107 /nfs/dbraw/zinc/62/01/07/352620107.db2.gz ZCMPXKZUCDGURK-NXEZZACHSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@H]1CC[N@H+]1[C@@H]1CCCC12CC2 575544995 352620111 /nfs/dbraw/zinc/62/01/11/352620111.db2.gz ZCMPXKZUCDGURK-NXEZZACHSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@@H]1CC[N@@H+]1[C@@H]1CCCC12CC2 575544997 352620208 /nfs/dbraw/zinc/62/02/08/352620208.db2.gz ZCMPXKZUCDGURK-VHSXEESVSA-N 1 1 180.295 1.352 10 0 ADAEMO NC[C@@H]1CC[N@H+]1[C@@H]1CCCC12CC2 575544997 352620210 /nfs/dbraw/zinc/62/02/10/352620210.db2.gz ZCMPXKZUCDGURK-VHSXEESVSA-N 1 1 180.295 1.352 10 0 ADAEMO CC(C)=C[C@@H](N)[C@H]1CCCC[N@@H+]1C 575545028 352620260 /nfs/dbraw/zinc/62/02/60/352620260.db2.gz MSBJOUDSMOSQCD-GHMZBOCLSA-N 1 1 182.311 1.764 10 0 ADAEMO CC(C)=C[C@@H]([NH3+])[C@H]1CCCCN1C 575545028 352620266 /nfs/dbraw/zinc/62/02/66/352620266.db2.gz MSBJOUDSMOSQCD-GHMZBOCLSA-N 1 1 182.311 1.764 10 0 ADAEMO CC(C)=C[C@H](N)[C@H]1CCCC[N@@H+]1C 575545031 352620783 /nfs/dbraw/zinc/62/07/83/352620783.db2.gz MSBJOUDSMOSQCD-WDEREUQCSA-N 1 1 182.311 1.764 10 0 ADAEMO CC(C)=C[C@H]([NH3+])[C@H]1CCCCN1C 575545031 352620785 /nfs/dbraw/zinc/62/07/85/352620785.db2.gz MSBJOUDSMOSQCD-WDEREUQCSA-N 1 1 182.311 1.764 10 0 ADAEMO CC(C)=C[C@H](N)[C@@H]1CCCC[N@@H+]1C 575545030 352620788 /nfs/dbraw/zinc/62/07/88/352620788.db2.gz MSBJOUDSMOSQCD-QWRGUYRKSA-N 1 1 182.311 1.764 10 0 ADAEMO CC(C)=C[C@H]([NH3+])[C@@H]1CCCCN1C 575545030 352620790 /nfs/dbraw/zinc/62/07/90/352620790.db2.gz MSBJOUDSMOSQCD-QWRGUYRKSA-N 1 1 182.311 1.764 10 0 ADAEMO CC(C)=C[C@@H](N)[C@@H]1CCCC[N@@H+]1C 575545029 352620868 /nfs/dbraw/zinc/62/08/68/352620868.db2.gz MSBJOUDSMOSQCD-MNOVXSKESA-N 1 1 182.311 1.764 10 0 ADAEMO CC(C)=C[C@@H]([NH3+])[C@@H]1CCCCN1C 575545029 352620871 /nfs/dbraw/zinc/62/08/71/352620871.db2.gz MSBJOUDSMOSQCD-MNOVXSKESA-N 1 1 182.311 1.764 10 0 ADAEMO C[C@@H]1C[C@]1(C)N1CCC[C@@H]([NH3+])C1 575545182 352621651 /nfs/dbraw/zinc/62/16/51/352621651.db2.gz JOGOCTLTWOITMI-BBBLOLIVSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@@]1(C)N1CCC[C@H]([NH3+])C1 575545183 352621408 /nfs/dbraw/zinc/62/14/08/352621408.db2.gz JOGOCTLTWOITMI-KXUCPTDWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@@]1(C)[N@@H+]1CCC[C@H](N)C1 575545183 352621413 /nfs/dbraw/zinc/62/14/13/352621413.db2.gz JOGOCTLTWOITMI-KXUCPTDWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@@]1(C)[N@H+]1CCC[C@H](N)C1 575545183 352621414 /nfs/dbraw/zinc/62/14/14/352621414.db2.gz JOGOCTLTWOITMI-KXUCPTDWSA-N 1 1 168.284 1.208 10 0 ADAEMO [NH3+][C@H]1CCCCCN(C2CC2)C1 575545336 352621429 /nfs/dbraw/zinc/62/14/29/352621429.db2.gz GTOMFXXNPHRPNM-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO N[C@H]1CCCCC[N@@H+](C2CC2)C1 575545336 352621431 /nfs/dbraw/zinc/62/14/31/352621431.db2.gz GTOMFXXNPHRPNM-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO N[C@H]1CCCCC[N@H+](C2CC2)C1 575545336 352621433 /nfs/dbraw/zinc/62/14/33/352621433.db2.gz GTOMFXXNPHRPNM-VIFPVBQESA-N 1 1 168.284 1.352 10 0 ADAEMO [NH3+][C@@H]1CCCCCN(C2CC2)C1 575545335 352621484 /nfs/dbraw/zinc/62/14/84/352621484.db2.gz GTOMFXXNPHRPNM-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO N[C@@H]1CCCCC[N@@H+](C2CC2)C1 575545335 352621488 /nfs/dbraw/zinc/62/14/88/352621488.db2.gz GTOMFXXNPHRPNM-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO N[C@@H]1CCCCC[N@H+](C2CC2)C1 575545335 352621490 /nfs/dbraw/zinc/62/14/90/352621490.db2.gz GTOMFXXNPHRPNM-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@@H]1C[C@@]1(C)N1CCC[C@@H]([NH3+])C1 575545184 352621570 /nfs/dbraw/zinc/62/15/70/352621570.db2.gz JOGOCTLTWOITMI-OPRDCNLKSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@@]1(C)[N@@H+]1CCC[C@@H](N)C1 575545184 352621571 /nfs/dbraw/zinc/62/15/71/352621571.db2.gz JOGOCTLTWOITMI-OPRDCNLKSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@@]1(C)[N@H+]1CCC[C@@H](N)C1 575545184 352621574 /nfs/dbraw/zinc/62/15/74/352621574.db2.gz JOGOCTLTWOITMI-OPRDCNLKSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@]1(C)N1CCC[C@H]([NH3+])C1 575545185 352621589 /nfs/dbraw/zinc/62/15/89/352621589.db2.gz JOGOCTLTWOITMI-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@]1(C)[N@@H+]1CCC[C@H](N)C1 575545185 352621591 /nfs/dbraw/zinc/62/15/91/352621591.db2.gz JOGOCTLTWOITMI-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@]1(C)[N@H+]1CCC[C@H](N)C1 575545185 352621593 /nfs/dbraw/zinc/62/15/93/352621593.db2.gz JOGOCTLTWOITMI-UTLUCORTSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@]1(C)[N@@H+]1CCC[C@@H](N)C1 575545182 352621653 /nfs/dbraw/zinc/62/16/53/352621653.db2.gz JOGOCTLTWOITMI-BBBLOLIVSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[C@]1(C)[N@H+]1CCC[C@@H](N)C1 575545182 352621655 /nfs/dbraw/zinc/62/16/55/352621655.db2.gz JOGOCTLTWOITMI-BBBLOLIVSA-N 1 1 168.284 1.208 10 0 ADAEMO C/C=C/[C@H]([NH2+]C)c1ccsn1 575545403 352621818 /nfs/dbraw/zinc/62/18/18/352621818.db2.gz LQQILHNIKADDBE-SDLBARTOSA-N 1 1 168.265 1.980 10 0 ADAEMO C[C@@H]1CCCC[C@H]1NC1(C)C[NH2+]C1 575545622 352621822 /nfs/dbraw/zinc/62/18/22/352621822.db2.gz MULMQHUODOOZKF-NXEZZACHSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@@H]1CCCC[C@@H]1NC1(C)C[NH2+]C1 575545627 352621844 /nfs/dbraw/zinc/62/18/44/352621844.db2.gz MULMQHUODOOZKF-ZJUUUORDSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H]1CCCC[C@H]1NC1(C)C[NH2+]C1 575545625 352621861 /nfs/dbraw/zinc/62/18/61/352621861.db2.gz MULMQHUODOOZKF-VHSXEESVSA-N 1 1 182.311 1.517 10 0 ADAEMO C/C=C/[C@@H]([NH2+]C)c1ccsn1 575545402 352621977 /nfs/dbraw/zinc/62/19/77/352621977.db2.gz LQQILHNIKADDBE-KGGZQZJCSA-N 1 1 168.265 1.980 10 0 ADAEMO C[C@H]1CCCC[C@@H]1NC1(C)C[NH2+]C1 575545624 352622056 /nfs/dbraw/zinc/62/20/56/352622056.db2.gz MULMQHUODOOZKF-UWVGGRQHSA-N 1 1 182.311 1.517 10 0 ADAEMO N[C@@H]1CCCCC[N@@H+](CC2CC2)C1 575545630 352622701 /nfs/dbraw/zinc/62/27/01/352622701.db2.gz IQOAPUWUHVKSAV-LLVKDONJSA-N 1 1 182.311 1.600 10 0 ADAEMO N[C@H]1CCCCC[N@@H+](CC2CC2)C1 575545633 352622777 /nfs/dbraw/zinc/62/27/77/352622777.db2.gz IQOAPUWUHVKSAV-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO [NH3+][C@H]1CCCCCN(CC2CC2)C1 575545633 352622780 /nfs/dbraw/zinc/62/27/80/352622780.db2.gz IQOAPUWUHVKSAV-NSHDSACASA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@@H]1C[C@@]1(C)C[N@@H+]1CCC[C@H](N)C1 575546196 352624499 /nfs/dbraw/zinc/62/44/99/352624499.db2.gz PLZNZXZCBCPGEH-VWYCJHECSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[C@@]1(C)C[N@H+]1CCC[C@H](N)C1 575546196 352624500 /nfs/dbraw/zinc/62/45/00/352624500.db2.gz PLZNZXZCBCPGEH-VWYCJHECSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[C@@]1(C)C[N@@H+]1CCC[C@@H](N)C1 575546193 352624210 /nfs/dbraw/zinc/62/42/10/352624210.db2.gz PLZNZXZCBCPGEH-MXWKQRLJSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[C@@]1(C)C[N@H+]1CCC[C@@H](N)C1 575546193 352624214 /nfs/dbraw/zinc/62/42/14/352624214.db2.gz PLZNZXZCBCPGEH-MXWKQRLJSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[C@]1(C)C[N@@H+]1CCC[C@@H](N)C1 575546191 352624380 /nfs/dbraw/zinc/62/43/80/352624380.db2.gz PLZNZXZCBCPGEH-GMTAPVOTSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[C@]1(C)C[N@H+]1CCC[C@@H](N)C1 575546191 352624382 /nfs/dbraw/zinc/62/43/82/352624382.db2.gz PLZNZXZCBCPGEH-GMTAPVOTSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[C@]1(C)C[N@@H+]1CCC[C@H](N)C1 575546195 352624520 /nfs/dbraw/zinc/62/45/20/352624520.db2.gz PLZNZXZCBCPGEH-OUAUKWLOSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[C@]1(C)C[N@H+]1CCC[C@H](N)C1 575546195 352624521 /nfs/dbraw/zinc/62/45/21/352624521.db2.gz PLZNZXZCBCPGEH-OUAUKWLOSA-N 1 1 182.311 1.456 10 0 ADAEMO CC1(C)C[C@]1(C)[N@@H+]1CCC[C@H](N)C1 575546241 352624797 /nfs/dbraw/zinc/62/47/97/352624797.db2.gz RXBBWPILUIMHCU-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)C[C@]1(C)[N@H+]1CCC[C@H](N)C1 575546241 352624801 /nfs/dbraw/zinc/62/48/01/352624801.db2.gz RXBBWPILUIMHCU-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO C/C=C/[C@H]([NH3+])C(F)(F)CC 575546343 352624862 /nfs/dbraw/zinc/62/48/62/352624862.db2.gz QLLVWLZHCMZWRN-QVQDZQDPSA-N 1 1 149.184 1.935 10 0 ADAEMO CC1(C)C[C@@]1(C)[N@@H+]1CCC[C@@H](N)C1 575546240 352624968 /nfs/dbraw/zinc/62/49/68/352624968.db2.gz RXBBWPILUIMHCU-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)C[C@@]1(C)[N@H+]1CCC[C@@H](N)C1 575546240 352624974 /nfs/dbraw/zinc/62/49/74/352624974.db2.gz RXBBWPILUIMHCU-MWLCHTKSSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)C[C@@]1(C)[N@@H+]1CCC[C@H](N)C1 575546238 352624988 /nfs/dbraw/zinc/62/49/88/352624988.db2.gz RXBBWPILUIMHCU-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)C[C@@]1(C)[N@H+]1CCC[C@H](N)C1 575546238 352624993 /nfs/dbraw/zinc/62/49/93/352624993.db2.gz RXBBWPILUIMHCU-GXSJLCMTSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)C[C@]1(C)[N@@H+]1CCC[C@@H](N)C1 575546239 352625026 /nfs/dbraw/zinc/62/50/26/352625026.db2.gz RXBBWPILUIMHCU-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)C[C@]1(C)[N@H+]1CCC[C@@H](N)C1 575546239 352625030 /nfs/dbraw/zinc/62/50/30/352625030.db2.gz RXBBWPILUIMHCU-KOLCDFICSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(C)C[C@]1(C)[N@@H+]1CCCNCC1 575546286 352625040 /nfs/dbraw/zinc/62/50/40/352625040.db2.gz UCMZEDIOXUDPRU-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CC1(C)C[C@]1(C)[N@H+]1CCCNCC1 575546286 352625043 /nfs/dbraw/zinc/62/50/43/352625043.db2.gz UCMZEDIOXUDPRU-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CC1(C)C[C@@]1(C)[N@@H+]1CCCNCC1 575546285 352625132 /nfs/dbraw/zinc/62/51/32/352625132.db2.gz UCMZEDIOXUDPRU-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO CC1(C)C[C@@]1(C)[N@H+]1CCCNCC1 575546285 352625136 /nfs/dbraw/zinc/62/51/36/352625136.db2.gz UCMZEDIOXUDPRU-LLVKDONJSA-N 1 1 182.311 1.470 10 0 ADAEMO C/C=C/[C@@H]([NH3+])C(F)(F)CC 575546341 352625196 /nfs/dbraw/zinc/62/51/96/352625196.db2.gz QLLVWLZHCMZWRN-MXTDHUQFSA-N 1 1 149.184 1.935 10 0 ADAEMO CC(F)(F)C[NH2+][C@@H]1C=CCC1 575546451 352625616 /nfs/dbraw/zinc/62/56/16/352625616.db2.gz SWOZAXIZDGBTOF-SSDOTTSWSA-N 1 1 161.195 1.950 10 0 ADAEMO CC(F)(F)C[NH2+][C@H]1C=CCC1 575546453 352625652 /nfs/dbraw/zinc/62/56/52/352625652.db2.gz SWOZAXIZDGBTOF-ZETCQYMHSA-N 1 1 161.195 1.950 10 0 ADAEMO CC(C)[NH2+][C@@H]1CCCCCNC1 575547002 352627035 /nfs/dbraw/zinc/62/70/35/352627035.db2.gz VRNKGGKIRIAGEX-SNVBAGLBSA-N 1 1 170.300 1.517 10 0 ADAEMO CC(C)N[C@@H]1CCCCC[NH2+]C1 575547002 352627039 /nfs/dbraw/zinc/62/70/39/352627039.db2.gz VRNKGGKIRIAGEX-SNVBAGLBSA-N 1 1 170.300 1.517 10 0 ADAEMO CC(C)[NH2+][C@H]1CCCCCNC1 575547001 352627105 /nfs/dbraw/zinc/62/71/05/352627105.db2.gz VRNKGGKIRIAGEX-JTQLQIEISA-N 1 1 170.300 1.517 10 0 ADAEMO CC(C)N[C@H]1CCCCC[NH2+]C1 575547001 352627108 /nfs/dbraw/zinc/62/71/08/352627108.db2.gz VRNKGGKIRIAGEX-JTQLQIEISA-N 1 1 170.300 1.517 10 0 ADAEMO CC[C@H](C)[N@H+]1CCCCC[C@@H](N)C1 575547238 352627797 /nfs/dbraw/zinc/62/77/97/352627797.db2.gz YIQCZRBLLSAFTB-WDEREUQCSA-N 1 1 184.327 1.988 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCCC[C@H](N)C1 575547236 352627924 /nfs/dbraw/zinc/62/79/24/352627924.db2.gz YIQCZRBLLSAFTB-MNOVXSKESA-N 1 1 184.327 1.988 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCCC[C@@H](N)C1 575547228 352628015 /nfs/dbraw/zinc/62/80/15/352628015.db2.gz YIQCZRBLLSAFTB-GHMZBOCLSA-N 1 1 184.327 1.988 10 0 ADAEMO CC[C@H](C)[N@H+]1CCCCC[C@H](N)C1 575547237 352628032 /nfs/dbraw/zinc/62/80/32/352628032.db2.gz YIQCZRBLLSAFTB-QWRGUYRKSA-N 1 1 184.327 1.988 10 0 ADAEMO C1CC[C@H]2C[N@H+](C[C@@H]3CO3)[C@@H]2CC1 575547720 352629186 /nfs/dbraw/zinc/62/91/86/352629186.db2.gz SMDMVJRBCAPDHW-HBNTYKKESA-N 1 1 181.279 1.650 10 0 ADAEMO C1CC[C@H]2[C@H](CC1)C[N@@H+]2C[C@H]1CO1 575547723 352629176 /nfs/dbraw/zinc/62/91/76/352629176.db2.gz SMDMVJRBCAPDHW-VWYCJHECSA-N 1 1 181.279 1.650 10 0 ADAEMO C1CC[C@@H]2C[N@H+](C[C@@H]3CO3)[C@@H]2CC1 575547719 352629200 /nfs/dbraw/zinc/62/92/00/352629200.db2.gz SMDMVJRBCAPDHW-GMTAPVOTSA-N 1 1 181.279 1.650 10 0 ADAEMO C1CC[C@H]2C[N@H+](C[C@H]3CO3)[C@H]2CC1 575547717 352629234 /nfs/dbraw/zinc/62/92/34/352629234.db2.gz SMDMVJRBCAPDHW-DCAQKATOSA-N 1 1 181.279 1.650 10 0 ADAEMO C1CC[C@H]2C[N@H+](C[C@@H]3CO3)[C@H]2CC1 575547716 352629269 /nfs/dbraw/zinc/62/92/69/352629269.db2.gz SMDMVJRBCAPDHW-AXFHLTTASA-N 1 1 181.279 1.650 10 0 ADAEMO C1CC[C@@H]2C[N@H+](C[C@H]3CO3)[C@@H]2CC1 575547722 352629304 /nfs/dbraw/zinc/62/93/04/352629304.db2.gz SMDMVJRBCAPDHW-OUAUKWLOSA-N 1 1 181.279 1.650 10 0 ADAEMO C1CC[C@H]2[C@H](CC1)C[N@@H+]2C[C@@H]1CO1 575547721 352629308 /nfs/dbraw/zinc/62/93/08/352629308.db2.gz SMDMVJRBCAPDHW-MXWKQRLJSA-N 1 1 181.279 1.650 10 0 ADAEMO C1C[N@H+](C[C@H]2CO2)CC2(C1)CC2 575547553 352629344 /nfs/dbraw/zinc/62/93/44/352629344.db2.gz IHUHUBSWVLIBQY-VIFPVBQESA-N 1 1 167.252 1.261 10 0 ADAEMO C1C[N@H+](C[C@@H]2CO2)CC2(C1)CC2 575547552 352629408 /nfs/dbraw/zinc/62/94/08/352629408.db2.gz IHUHUBSWVLIBQY-SECBINFHSA-N 1 1 167.252 1.261 10 0 ADAEMO C1CC[C@H]2C[N@H+](C[C@H]3CO3)[C@@H]2CC1 575547718 352629491 /nfs/dbraw/zinc/62/94/91/352629491.db2.gz SMDMVJRBCAPDHW-GARJFASQSA-N 1 1 181.279 1.650 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@]2(C)CC2(C)C)CCN1 575548682 352631869 /nfs/dbraw/zinc/63/18/69/352631869.db2.gz FVDOZZXZLWBCQB-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1C[N@H+]([C@]2(C)CC2(C)C)CCN1 575548682 352631871 /nfs/dbraw/zinc/63/18/71/352631871.db2.gz FVDOZZXZLWBCQB-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[N@@H+]([C@@]2(C)CC2(C)C)CCN1 575548684 352631973 /nfs/dbraw/zinc/63/19/73/352631973.db2.gz FVDOZZXZLWBCQB-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[N@H+]([C@@]2(C)CC2(C)C)CCN1 575548684 352631975 /nfs/dbraw/zinc/63/19/75/352631975.db2.gz FVDOZZXZLWBCQB-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@]2(C)CC2(C)C)CCN1 575548681 352632147 /nfs/dbraw/zinc/63/21/47/352632147.db2.gz FVDOZZXZLWBCQB-KOLCDFICSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@]2(C)CC2(C)C)CCN1 575548681 352632151 /nfs/dbraw/zinc/63/21/51/352632151.db2.gz FVDOZZXZLWBCQB-KOLCDFICSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[N@@H+]([C@]2(C)CC2(C)C)CCN1 575548680 352632339 /nfs/dbraw/zinc/63/23/39/352632339.db2.gz FVDOZZXZLWBCQB-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[N@H+]([C@]2(C)CC2(C)C)CCN1 575548680 352632341 /nfs/dbraw/zinc/63/23/41/352632341.db2.gz FVDOZZXZLWBCQB-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO Cc1cc(C)n(Cc2[nH]cc[nH+]2)c1 575548873 352632975 /nfs/dbraw/zinc/63/29/75/352632975.db2.gz LAYVGUFDPFGNPD-UHFFFAOYSA-N 1 1 175.235 1.876 10 0 ADAEMO C[C@@H]1CNCC[N@@H+]1[C@]1(C)CC1(C)C 575549326 352633971 /nfs/dbraw/zinc/63/39/71/352633971.db2.gz KTBYOMFRDVEZRN-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1[C@]1(C)CC1(C)C 575549326 352633972 /nfs/dbraw/zinc/63/39/72/352633972.db2.gz KTBYOMFRDVEZRN-MWLCHTKSSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CNCC[N@@H+]1[C@@]1(C)CC1(C)C 575549325 352634183 /nfs/dbraw/zinc/63/41/83/352634183.db2.gz KTBYOMFRDVEZRN-KOLCDFICSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1[C@@]1(C)CC1(C)C 575549325 352634187 /nfs/dbraw/zinc/63/41/87/352634187.db2.gz KTBYOMFRDVEZRN-KOLCDFICSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@]1(C)CC1(C)C 575549324 352634248 /nfs/dbraw/zinc/63/42/48/352634248.db2.gz KTBYOMFRDVEZRN-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CNCC[N@H+]1[C@]1(C)CC1(C)C 575549324 352634252 /nfs/dbraw/zinc/63/42/52/352634252.db2.gz KTBYOMFRDVEZRN-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@@]1(C)CC1(C)C 575549328 352634329 /nfs/dbraw/zinc/63/43/29/352634329.db2.gz KTBYOMFRDVEZRN-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1CNCC[N@H+]1[C@@]1(C)CC1(C)C 575549328 352634333 /nfs/dbraw/zinc/63/43/33/352634333.db2.gz KTBYOMFRDVEZRN-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO Cc1c[nH]c(N2CC[C@H]2C)[nH+]1 575549530 352635000 /nfs/dbraw/zinc/63/50/00/352635000.db2.gz NLMWSUVJDZQHIA-SSDOTTSWSA-N 1 1 151.213 1.317 10 0 ADAEMO Cc1c[nH]c(N2CC[C@@H]2C)[nH+]1 575549531 352635024 /nfs/dbraw/zinc/63/50/24/352635024.db2.gz NLMWSUVJDZQHIA-ZETCQYMHSA-N 1 1 151.213 1.317 10 0 ADAEMO c1c[nH+]c(N2C[C@H]3CCC[C@H]32)[nH]1 575549578 352635301 /nfs/dbraw/zinc/63/53/01/352635301.db2.gz OBNDFSXCONEMLK-HTQZYQBOSA-N 1 1 163.224 1.398 10 0 ADAEMO c1c[nH+]c(N2C[C@@H]3CCC[C@H]32)[nH]1 575549580 352635319 /nfs/dbraw/zinc/63/53/19/352635319.db2.gz OBNDFSXCONEMLK-JGVFFNPUSA-N 1 1 163.224 1.398 10 0 ADAEMO CC(C)(CN)[N@@H+]1CC(C)(C)C1(C)C 575549579 352635333 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163.224 1.398 10 0 ADAEMO c1c[nH+]c(N2C[C@@H]3CCC[C@@H]32)[nH]1 575549582 352635585 /nfs/dbraw/zinc/63/55/85/352635585.db2.gz OBNDFSXCONEMLK-YUMQZZPRSA-N 1 1 163.224 1.398 10 0 ADAEMO C[C@H]1C[C@]1(C)C[N@H+]1CCNC[C@H]1C 575549900 352636164 /nfs/dbraw/zinc/63/61/64/352636164.db2.gz NCMVUJJUXDGEFT-HBNTYKKESA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@H]1C[C@]1(C)CN1CC[NH2+]C[C@H]1C 575549900 352636165 /nfs/dbraw/zinc/63/61/65/352636165.db2.gz NCMVUJJUXDGEFT-HBNTYKKESA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1CNCC[N@@H+]1C[C@@]1(C)C[C@H]1C 575549899 352636230 /nfs/dbraw/zinc/63/62/30/352636230.db2.gz NCMVUJJUXDGEFT-GMTAPVOTSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1C[NH2+]CCN1C[C@@]1(C)C[C@H]1C 575549899 352636233 /nfs/dbraw/zinc/63/62/33/352636233.db2.gz NCMVUJJUXDGEFT-GMTAPVOTSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1CNCC[N@@H+]1C[C@]1(C)C[C@H]1C 575549901 352636245 /nfs/dbraw/zinc/63/62/45/352636245.db2.gz NCMVUJJUXDGEFT-MXWKQRLJSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1C[NH2+]CCN1C[C@]1(C)C[C@H]1C 575549901 352636247 /nfs/dbraw/zinc/63/62/47/352636247.db2.gz NCMVUJJUXDGEFT-MXWKQRLJSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@H]1C[C@@]1(C)CN1CC[NH2+]C[C@H]1C 575549897 352636265 /nfs/dbraw/zinc/63/62/65/352636265.db2.gz NCMVUJJUXDGEFT-AXFHLTTASA-N 1 1 182.311 1.326 10 0 ADAEMO CC[C@H]1[NH2+]CC[C@@H]1NC(C)C 575550382 352638136 /nfs/dbraw/zinc/63/81/36/352638136.db2.gz UBMAVNWEPLGSMY-BDAKNGLRSA-N 1 1 156.273 1.125 10 0 ADAEMO CC[C@H]1[NH2+]CC[C@H]1NC(C)C 575550389 352638244 /nfs/dbraw/zinc/63/82/44/352638244.db2.gz UBMAVNWEPLGSMY-RKDXNWHRSA-N 1 1 156.273 1.125 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@H]1NC(C)C 575550386 352638292 /nfs/dbraw/zinc/63/82/92/352638292.db2.gz UBMAVNWEPLGSMY-DTWKUNHWSA-N 1 1 156.273 1.125 10 0 ADAEMO CC[C@@H]1[NH2+]CC[C@@H]1NC(C)C 575550388 352638310 /nfs/dbraw/zinc/63/83/10/352638310.db2.gz UBMAVNWEPLGSMY-IUCAKERBSA-N 1 1 156.273 1.125 10 0 ADAEMO C[C@@H]1C[N@@H+](C[C@]2(C)C[C@H]2C)CCN1 575550653 352638729 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VFQJIBGBRFKDDD-GMTAPVOTSA-N 1 1 182.311 1.326 10 0 ADAEMO C[C@@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CO1 575551199 352640776 /nfs/dbraw/zinc/64/07/76/352640776.db2.gz CJOSJDDLCAPQRX-HTQZYQBOSA-N 1 1 191.221 1.505 10 0 ADAEMO C[C@@H]1CC(F)(F)CC[N@H+]1C[C@H]1CO1 575551202 352640785 /nfs/dbraw/zinc/64/07/85/352640785.db2.gz CJOSJDDLCAPQRX-SFYZADRCSA-N 1 1 191.221 1.505 10 0 ADAEMO C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CO1 575551201 352640822 /nfs/dbraw/zinc/64/08/22/352640822.db2.gz CJOSJDDLCAPQRX-JGVFFNPUSA-N 1 1 191.221 1.505 10 0 ADAEMO C[C@H]1CC(F)(F)CC[N@H+]1C[C@H]1CO1 575551204 352640951 /nfs/dbraw/zinc/64/09/51/352640951.db2.gz CJOSJDDLCAPQRX-YUMQZZPRSA-N 1 1 191.221 1.505 10 0 ADAEMO FC1(F)CCC[N@@H+](C[C@H]2CO2)CC1 575551209 352641027 /nfs/dbraw/zinc/64/10/27/352641027.db2.gz CUHZYSDKLIHCBS-QMMMGPOBSA-N 1 1 191.221 1.506 10 0 ADAEMO C1CCC2(C1)CC[N@@H+]2C[C@@H]1CO1 575551954 352643584 /nfs/dbraw/zinc/64/35/84/352643584.db2.gz KHXYSBDIHHQDHZ-SECBINFHSA-N 1 1 167.252 1.404 10 0 ADAEMO 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AEUHJAAIGBNSOU-UHFFFAOYSA-N 1 1 184.268 1.047 10 0 ADAEMO c1c[nH+]c(N2C[C@H]3CC[C@@H]3C2)[nH]1 575552987 352646924 /nfs/dbraw/zinc/64/69/24/352646924.db2.gz OKHHWEBYSAKKTI-HTQZYQBOSA-N 1 1 163.224 1.256 10 0 ADAEMO c1c[nH+]c(N2C[C@H]3CC[C@H]3C2)[nH]1 575552988 352646951 /nfs/dbraw/zinc/64/69/51/352646951.db2.gz OKHHWEBYSAKKTI-OCAPTIKFSA-N 1 1 163.224 1.256 10 0 ADAEMO CSc1cc(C(C)C)nc(NN)[nH+]1 575552931 352647188 /nfs/dbraw/zinc/64/71/88/352647188.db2.gz KMHWOEQSKMHBAR-UHFFFAOYSA-N 1 1 198.295 1.608 10 0 ADAEMO c1c[nH+]c(N2C[C@@H]3CC[C@H]3C2)[nH]1 575552989 352647248 /nfs/dbraw/zinc/64/72/48/352647248.db2.gz OKHHWEBYSAKKTI-YUMQZZPRSA-N 1 1 163.224 1.256 10 0 ADAEMO [NH3+][C@]1(C2CC2)CC[N@H+]2CCCC[C@@H]21 575553635 352649039 /nfs/dbraw/zinc/64/90/39/352649039.db2.gz BROPXRJVZVQIAY-MNOVXSKESA-N 1 1 180.295 1.352 10 0 ADAEMO [NH3+][C@@]1(C2CC2)CC[N@H+]2CCCC[C@H]21 575553637 352649124 /nfs/dbraw/zinc/64/91/24/352649124.db2.gz BROPXRJVZVQIAY-WDEREUQCSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@@]1(C2CC2)CC[N@@H+]2CCCC[C@H]21 575553637 352649126 /nfs/dbraw/zinc/64/91/26/352649126.db2.gz BROPXRJVZVQIAY-WDEREUQCSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@@]1(C2CC2)CC[N@H+]2CCCC[C@H]21 575553637 352649127 /nfs/dbraw/zinc/64/91/27/352649127.db2.gz BROPXRJVZVQIAY-WDEREUQCSA-N 1 1 180.295 1.352 10 0 ADAEMO [NH3+][C@@]1(C2CC2)CC[N@H+]2CCCC[C@@H]21 575553634 352649143 /nfs/dbraw/zinc/64/91/43/352649143.db2.gz BROPXRJVZVQIAY-GHMZBOCLSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@@]1(C2CC2)CC[N@@H+]2CCCC[C@@H]21 575553634 352649144 /nfs/dbraw/zinc/64/91/44/352649144.db2.gz BROPXRJVZVQIAY-GHMZBOCLSA-N 1 1 180.295 1.352 10 0 ADAEMO N[C@@]1(C2CC2)CC[N@H+]2CCCC[C@@H]21 575553634 352649146 /nfs/dbraw/zinc/64/91/46/352649146.db2.gz BROPXRJVZVQIAY-GHMZBOCLSA-N 1 1 180.295 1.352 10 0 ADAEMO C[N@@H+]1C[C@](N)(C2CC2)CC1(C)C 575553731 352649634 /nfs/dbraw/zinc/64/96/34/352649634.db2.gz GIGUKTAFXBPKEB-JTQLQIEISA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@H+]1C[C@](N)(C2CC2)CC1(C)C 575553731 352649638 /nfs/dbraw/zinc/64/96/38/352649638.db2.gz GIGUKTAFXBPKEB-JTQLQIEISA-N 1 1 168.284 1.208 10 0 ADAEMO CN1C[C@]([NH3+])(C2CC2)CC1(C)C 575553731 352649641 /nfs/dbraw/zinc/64/96/41/352649641.db2.gz GIGUKTAFXBPKEB-JTQLQIEISA-N 1 1 168.284 1.208 10 0 ADAEMO CCC[C@]1(N)CC[N@@H+]2CCCC[C@H]21 575553801 352649675 /nfs/dbraw/zinc/64/96/75/352649675.db2.gz JANUUECVPSHZFK-QWRGUYRKSA-N 1 1 182.311 1.742 10 0 ADAEMO CCC[C@]1(N)CC[N@H+]2CCCC[C@H]21 575553801 352649678 /nfs/dbraw/zinc/64/96/78/352649678.db2.gz JANUUECVPSHZFK-QWRGUYRKSA-N 1 1 182.311 1.742 10 0 ADAEMO [NH3+]C1(C2CC2)CCN(C2CC2)CC1 575553730 352649686 /nfs/dbraw/zinc/64/96/86/352649686.db2.gz GHOYDUOHUBVDSG-UHFFFAOYSA-N 1 1 180.295 1.352 10 0 ADAEMO CCC[C@@]1(N)CC[N@@H+]2CCCC[C@@H]21 575553799 352649811 /nfs/dbraw/zinc/64/98/11/352649811.db2.gz JANUUECVPSHZFK-GHMZBOCLSA-N 1 1 182.311 1.742 10 0 ADAEMO CCC[C@@]1(N)CC[N@H+]2CCCC[C@@H]21 575553799 352649812 /nfs/dbraw/zinc/64/98/12/352649812.db2.gz JANUUECVPSHZFK-GHMZBOCLSA-N 1 1 182.311 1.742 10 0 ADAEMO C[N@@H+]1C[C@@](N)(C2CC2)CC1(C)C 575553732 352649850 /nfs/dbraw/zinc/64/98/50/352649850.db2.gz GIGUKTAFXBPKEB-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@H+]1C[C@@](N)(C2CC2)CC1(C)C 575553732 352649851 /nfs/dbraw/zinc/64/98/51/352649851.db2.gz GIGUKTAFXBPKEB-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CN1C[C@@]([NH3+])(C2CC2)CC1(C)C 575553732 352649854 /nfs/dbraw/zinc/64/98/54/352649854.db2.gz GIGUKTAFXBPKEB-SNVBAGLBSA-N 1 1 168.284 1.208 10 0 ADAEMO CCC[C@]1(N)CC[N@@H+]2CCCC[C@@H]21 575553800 352649866 /nfs/dbraw/zinc/64/98/66/352649866.db2.gz JANUUECVPSHZFK-MNOVXSKESA-N 1 1 182.311 1.742 10 0 ADAEMO CCC[C@]1(N)CC[N@H+]2CCCC[C@@H]21 575553800 352649868 /nfs/dbraw/zinc/64/98/68/352649868.db2.gz JANUUECVPSHZFK-MNOVXSKESA-N 1 1 182.311 1.742 10 0 ADAEMO CCC[C@@]1(N)CC[N@@H+]2CCCC[C@H]21 575553802 352649875 /nfs/dbraw/zinc/64/98/75/352649875.db2.gz JANUUECVPSHZFK-WDEREUQCSA-N 1 1 182.311 1.742 10 0 ADAEMO CCC[C@@]1(N)CC[N@H+]2CCCC[C@H]21 575553802 352649877 /nfs/dbraw/zinc/64/98/77/352649877.db2.gz JANUUECVPSHZFK-WDEREUQCSA-N 1 1 182.311 1.742 10 0 ADAEMO Cc1c[nH]c(N2C[C@@H](C)[C@@H]2C)[nH+]1 575554195 352651656 /nfs/dbraw/zinc/65/16/56/352651656.db2.gz BNLMJMCJWIITBU-SVRRBLITSA-N 1 1 165.240 1.563 10 0 ADAEMO Cc1c[nH]c(N2C[C@H](C)[C@@H]2C)[nH+]1 575554197 352651862 /nfs/dbraw/zinc/65/18/62/352651862.db2.gz BNLMJMCJWIITBU-XPUUQOCRSA-N 1 1 165.240 1.563 10 0 ADAEMO Cc1c[nH]c(N2C[C@H](C)[C@H]2C)[nH+]1 575554192 352652006 /nfs/dbraw/zinc/65/20/06/352652006.db2.gz BNLMJMCJWIITBU-POYBYMJQSA-N 1 1 165.240 1.563 10 0 ADAEMO Cc1c[nH]c(N2C[C@@H](C)[C@H]2C)[nH+]1 575554189 352652025 /nfs/dbraw/zinc/65/20/25/352652025.db2.gz BNLMJMCJWIITBU-HTRCEHHLSA-N 1 1 165.240 1.563 10 0 ADAEMO c1c[nH+]c(N2CCCC3(CC3)C2)[nH]1 575554408 352652688 /nfs/dbraw/zinc/65/26/88/352652688.db2.gz JNIVZPOUUZXLFW-UHFFFAOYSA-N 1 1 177.251 1.790 10 0 ADAEMO C[C@@H]1CCN1c1[nH]cc[nH+]1 575554500 352652994 /nfs/dbraw/zinc/65/29/94/352652994.db2.gz MQXDRKZJBMWKAN-ZCFIWIBFSA-N 1 1 137.186 1.008 10 0 ADAEMO C[C@H]1CCN1c1[nH]cc[nH+]1 575554499 352653013 /nfs/dbraw/zinc/65/30/13/352653013.db2.gz MQXDRKZJBMWKAN-LURJTMIESA-N 1 1 137.186 1.008 10 0 ADAEMO CCc1c[nH]c(N2CC(C)C2)[nH+]1 575554562 352653055 /nfs/dbraw/zinc/65/30/55/352653055.db2.gz OLLGUPMSGVPFFA-UHFFFAOYSA-N 1 1 165.240 1.428 10 0 ADAEMO CC(C)C1([NH3+])CCN(C2CC2)CC1 575555229 352655124 /nfs/dbraw/zinc/65/51/24/352655124.db2.gz YNTHAGFMSIERRB-UHFFFAOYSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@]1(N)CC[N@@H+]2CCCC[C@H]21 575555257 352655581 /nfs/dbraw/zinc/65/55/81/352655581.db2.gz ZMGZWQJVRIUDRE-UWVGGRQHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[C@]1(N)CC[N@H+]2CCCC[C@H]21 575555257 352655583 /nfs/dbraw/zinc/65/55/83/352655583.db2.gz ZMGZWQJVRIUDRE-UWVGGRQHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[C@@]1(N)CC[N@@H+]2CCCC[C@H]21 575555259 352655608 /nfs/dbraw/zinc/65/56/08/352655608.db2.gz ZMGZWQJVRIUDRE-VHSXEESVSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[C@@]1(N)CC[N@H+]2CCCC[C@H]21 575555259 352655612 /nfs/dbraw/zinc/65/56/12/352655612.db2.gz ZMGZWQJVRIUDRE-VHSXEESVSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[C@]1(N)CC[N@@H+]2CCCC[C@@H]21 575555260 352655627 /nfs/dbraw/zinc/65/56/27/352655627.db2.gz ZMGZWQJVRIUDRE-ZJUUUORDSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[C@]1(N)CC[N@H+]2CCCC[C@@H]21 575555260 352655629 /nfs/dbraw/zinc/65/56/29/352655629.db2.gz ZMGZWQJVRIUDRE-ZJUUUORDSA-N 1 1 168.284 1.352 10 0 ADAEMO CC(C)[C@@]1(N)CC[N@@H+]2CCCC[C@@H]21 575555289 352655723 /nfs/dbraw/zinc/65/57/23/352655723.db2.gz ZVRPJRKBKOZVPH-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[C@@]1(N)CC[N@H+]2CCCC[C@@H]21 575555289 352655725 /nfs/dbraw/zinc/65/57/25/352655725.db2.gz ZVRPJRKBKOZVPH-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[C@]1(N)CC[N@@H+]2CCCC[C@@H]21 575555288 352655778 /nfs/dbraw/zinc/65/57/78/352655778.db2.gz ZVRPJRKBKOZVPH-GHMZBOCLSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[C@]1(N)CC[N@H+]2CCCC[C@@H]21 575555288 352655780 /nfs/dbraw/zinc/65/57/80/352655780.db2.gz ZVRPJRKBKOZVPH-GHMZBOCLSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@]1(N)CC[N@@H+]2CCCC[C@@H]21 575555255 352655794 /nfs/dbraw/zinc/65/57/94/352655794.db2.gz ZMGZWQJVRIUDRE-NXEZZACHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[C@@]1(N)CC[N@H+]2CCCC[C@@H]21 575555255 352655798 /nfs/dbraw/zinc/65/57/98/352655798.db2.gz ZMGZWQJVRIUDRE-NXEZZACHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC(C)[C@]1(N)CC[N@@H+]2CCCC[C@H]21 575555291 352655937 /nfs/dbraw/zinc/65/59/37/352655937.db2.gz ZVRPJRKBKOZVPH-WDEREUQCSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[C@@]1(N)CC[N@@H+]2CCCC[C@H]21 575555290 352655964 /nfs/dbraw/zinc/65/59/64/352655964.db2.gz ZVRPJRKBKOZVPH-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[C@@]1(N)CC[N@H+]2CCCC[C@H]21 575555290 352655965 /nfs/dbraw/zinc/65/59/65/352655965.db2.gz ZVRPJRKBKOZVPH-QWRGUYRKSA-N 1 1 182.311 1.598 10 0 ADAEMO c1c[nH+]c(N2C[C@@H]3CCCC[C@H]32)[nH]1 575555580 352656299 /nfs/dbraw/zinc/65/62/99/352656299.db2.gz JZKASYQBKXHDNH-DTWKUNHWSA-N 1 1 177.251 1.789 10 0 ADAEMO c1c[nH+]c(N2C[C@H]3CCCC[C@H]32)[nH]1 575555582 352656524 /nfs/dbraw/zinc/65/65/24/352656524.db2.gz JZKASYQBKXHDNH-RKDXNWHRSA-N 1 1 177.251 1.789 10 0 ADAEMO c1c[nH+]c(N2C[C@@H]3CCCC[C@@H]32)[nH]1 575555581 352656607 /nfs/dbraw/zinc/65/66/07/352656607.db2.gz JZKASYQBKXHDNH-IUCAKERBSA-N 1 1 177.251 1.789 10 0 ADAEMO c1c[nH+]c(N2C[C@H]3CCCC[C@@H]32)[nH]1 575555579 352656625 /nfs/dbraw/zinc/65/66/25/352656625.db2.gz JZKASYQBKXHDNH-BDAKNGLRSA-N 1 1 177.251 1.789 10 0 ADAEMO C/C=C/[C@@H]([NH2+]C)c1cscn1 575555793 352657699 /nfs/dbraw/zinc/65/76/99/352657699.db2.gz BVIXFEGDEOWLED-KGGZQZJCSA-N 1 1 168.265 1.980 10 0 ADAEMO C/C=C/[C@H]([NH2+]C)c1cscn1 575555794 352657726 /nfs/dbraw/zinc/65/77/26/352657726.db2.gz BVIXFEGDEOWLED-SDLBARTOSA-N 1 1 168.265 1.980 10 0 ADAEMO C/C=C/[C@H]([NH3+])c1ncccn1 575555873 352657837 /nfs/dbraw/zinc/65/78/37/352657837.db2.gz DCMYUXWPDILCDC-XBBYQOBLSA-N 1 1 149.197 1.053 10 0 ADAEMO C/C=C/[C@@H]([NH3+])c1ncccn1 575555872 352657882 /nfs/dbraw/zinc/65/78/82/352657882.db2.gz DCMYUXWPDILCDC-NUOXCJHRSA-N 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182.311 1.600 10 0 ADAEMO C[C@@H](N)C[N@H+]1CCCC2(CC1)CC2 575563849 352692891 /nfs/dbraw/zinc/69/28/91/352692891.db2.gz VADOUHAIBBKQDT-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO [NH3+][C@H](C1=CCCO1)c1ccsn1 575563916 352692972 /nfs/dbraw/zinc/69/29/72/352692972.db2.gz WOZKTWUMYCZHRZ-QMMMGPOBSA-N 1 1 182.248 1.447 10 0 ADAEMO C[C@H]([NH3+])c1nnc(-c2ccsn2)o1 575563964 352693411 /nfs/dbraw/zinc/69/34/11/352693411.db2.gz XGJQQGGYYYPDHD-BYPYZUCNSA-N 1 1 196.235 1.213 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(-c2ccsn2)o1 575563965 352693473 /nfs/dbraw/zinc/69/34/73/352693473.db2.gz XGJQQGGYYYPDHD-SCSAIBSYSA-N 1 1 196.235 1.213 10 0 ADAEMO C[C@@H]1C[N@H+]([C@H]2CCCCC2=O)[C@@H]1C 575564048 352693643 /nfs/dbraw/zinc/69/36/43/352693643.db2.gz ANCLUVDASDBZIN-BBBLOLIVSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@H]1CCCCC1=O 575564051 352694132 /nfs/dbraw/zinc/69/41/32/352694132.db2.gz ANCLUVDASDBZIN-UTLUCORTSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CCCCC2=O)[C@@H]1C 575564050 352694139 /nfs/dbraw/zinc/69/41/39/352694139.db2.gz ANCLUVDASDBZIN-OPRDCNLKSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@H]1CC[N@H+]1C[C@H]1CCCC(=O)C1 575564161 352694181 /nfs/dbraw/zinc/69/41/81/352694181.db2.gz CPKQTMZEGNUENT-UWVGGRQHSA-N 1 1 181.279 1.840 10 0 ADAEMO C[C@@H]1CC[N@H+]1C[C@H]1CCCC(=O)C1 575564165 352694305 /nfs/dbraw/zinc/69/43/05/352694305.db2.gz CPKQTMZEGNUENT-ZJUUUORDSA-N 1 1 181.279 1.840 10 0 ADAEMO C[C@H]1CC[N@H+]1C[C@@H]1CCCC(=O)C1 575564163 352694364 /nfs/dbraw/zinc/69/43/64/352694364.db2.gz CPKQTMZEGNUENT-VHSXEESVSA-N 1 1 181.279 1.840 10 0 ADAEMO CC(=O)C[N@H+]1CCC1(C)C 575564092 352694394 /nfs/dbraw/zinc/69/43/94/352694394.db2.gz BPCDLTNWWFASNG-UHFFFAOYSA-N 1 1 141.214 1.060 10 0 ADAEMO C[C@@H]1CC[N@H+]1C[C@@H]1CCCC(=O)C1 575564160 352694426 /nfs/dbraw/zinc/69/44/26/352694426.db2.gz CPKQTMZEGNUENT-NXEZZACHSA-N 1 1 181.279 1.840 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCCCC1=O 575564049 352694487 /nfs/dbraw/zinc/69/44/87/352694487.db2.gz ANCLUVDASDBZIN-KXUCPTDWSA-N 1 1 181.279 1.838 10 0 ADAEMO Cc1c[nH]c(N2CC[C@H]3C[C@H]32)[nH+]1 575564344 352695588 /nfs/dbraw/zinc/69/55/88/352695588.db2.gz GENKSALWDGJVPK-JGVFFNPUSA-N 1 1 163.224 1.317 10 0 ADAEMO Cc1c[nH]c(N2CC[C@@H]3C[C@@H]32)[nH+]1 575564346 352695769 /nfs/dbraw/zinc/69/57/69/352695769.db2.gz GENKSALWDGJVPK-SFYZADRCSA-N 1 1 163.224 1.317 10 0 ADAEMO CC1(C)CC[N@H+]1[C@@H]1CCC(=O)C1 575564553 352696945 /nfs/dbraw/zinc/69/69/45/352696945.db2.gz GAMLXGGIKXRYPB-MRVPVSSYSA-N 1 1 167.252 1.592 10 0 ADAEMO CC1(C)CC[N@H+]1[C@H]1CCC(=O)C1 575564554 352697019 /nfs/dbraw/zinc/69/70/19/352697019.db2.gz GAMLXGGIKXRYPB-QMMMGPOBSA-N 1 1 167.252 1.592 10 0 ADAEMO C[C@@H](N)C[N@@H+]1C[C@H]2CCCC[C@@]21C 575564676 352697306 /nfs/dbraw/zinc/69/73/06/352697306.db2.gz XLVQYGKKDFDOIM-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H](N)C[N@H+]1C[C@H]2CCCC[C@@]21C 575564676 352697309 /nfs/dbraw/zinc/69/73/09/352697309.db2.gz XLVQYGKKDFDOIM-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]([NH3+])CN1C[C@H]2CCCC[C@@]21C 575564676 352697310 /nfs/dbraw/zinc/69/73/10/352697310.db2.gz XLVQYGKKDFDOIM-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](N)C[N@@H+]1C[C@H]2CCCC[C@]21C 575564674 352697317 /nfs/dbraw/zinc/69/73/17/352697317.db2.gz XLVQYGKKDFDOIM-HBNTYKKESA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](N)C[N@H+]1C[C@H]2CCCC[C@]21C 575564674 352697318 /nfs/dbraw/zinc/69/73/18/352697318.db2.gz XLVQYGKKDFDOIM-HBNTYKKESA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]([NH3+])CN1C[C@H]2CCCC[C@]21C 575564674 352697322 /nfs/dbraw/zinc/69/73/22/352697322.db2.gz XLVQYGKKDFDOIM-HBNTYKKESA-N 1 1 182.311 1.598 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H]1C 575564680 352697357 /nfs/dbraw/zinc/69/73/57/352697357.db2.gz HIHGSPAADNLPCO-RNJXMRFFSA-N 1 1 155.241 1.304 10 0 ADAEMO C[C@H](N)C[N@@H+]1C[C@@H]2CCCC[C@@]21C 575564671 352697380 /nfs/dbraw/zinc/69/73/80/352697380.db2.gz XLVQYGKKDFDOIM-DCAQKATOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](N)C[N@H+]1C[C@@H]2CCCC[C@@]21C 575564671 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XLVQYGKKDFDOIM-AXFHLTTASA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](N)C[N@H+]1C[C@H]2CCCC[C@@]21C 575564670 352697420 /nfs/dbraw/zinc/69/74/20/352697420.db2.gz XLVQYGKKDFDOIM-AXFHLTTASA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]([NH3+])CN1C[C@H]2CCCC[C@@]21C 575564670 352697423 /nfs/dbraw/zinc/69/74/23/352697423.db2.gz XLVQYGKKDFDOIM-AXFHLTTASA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H](N)C[N@@H+]1C[C@H]2CCCC[C@]21C 575564673 352697439 /nfs/dbraw/zinc/69/74/39/352697439.db2.gz XLVQYGKKDFDOIM-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H](N)C[N@H+]1C[C@H]2CCCC[C@]21C 575564673 352697442 /nfs/dbraw/zinc/69/74/42/352697442.db2.gz XLVQYGKKDFDOIM-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]([NH3+])CN1C[C@H]2CCCC[C@]21C 575564673 352697444 /nfs/dbraw/zinc/69/74/44/352697444.db2.gz XLVQYGKKDFDOIM-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H]1C 575564677 352697453 /nfs/dbraw/zinc/69/74/53/352697453.db2.gz HIHGSPAADNLPCO-FXQIFTODSA-N 1 1 155.241 1.304 10 0 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352729394 /nfs/dbraw/zinc/72/93/94/352729394.db2.gz MFKXJFLBXAFKRZ-SECBINFHSA-N 1 1 186.205 1.829 10 0 ADAEMO Cc1cncc([C@](C)([NH3+])C(F)F)c1 575571235 352729493 /nfs/dbraw/zinc/72/94/93/352729493.db2.gz MFKXJFLBXAFKRZ-VIFPVBQESA-N 1 1 186.205 1.829 10 0 ADAEMO CC(C)(C)C(=O)[C@H]1C[NH2+]CC1(F)F 575571257 352729634 /nfs/dbraw/zinc/72/96/34/352729634.db2.gz UMKRGRNHFOSILO-ZCFIWIBFSA-N 1 1 191.221 1.456 10 0 ADAEMO CC(C)(C)C(=O)[C@@H]1C[NH2+]CC1(F)F 575571247 352729876 /nfs/dbraw/zinc/72/98/76/352729876.db2.gz UMKRGRNHFOSILO-LURJTMIESA-N 1 1 191.221 1.456 10 0 ADAEMO C[C@@H]1CC[N@@H+]([C@]2(C)C[C@H]2C)CCN1 575571417 352730317 /nfs/dbraw/zinc/73/03/17/352730317.db2.gz OSNGEHACNFIKJL-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CCN([C@]2(C)C[C@H]2C)CC[NH2+]1 575571417 352730321 /nfs/dbraw/zinc/73/03/21/352730321.db2.gz OSNGEHACNFIKJL-GMTAPVOTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[C@@]1(C)[N@H+]1CCN[C@H](C)CC1 575571419 352730397 /nfs/dbraw/zinc/73/03/97/352730397.db2.gz OSNGEHACNFIKJL-HBNTYKKESA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[C@@]1(C)N1CC[NH2+][C@H](C)CC1 575571419 352730398 /nfs/dbraw/zinc/73/03/98/352730398.db2.gz OSNGEHACNFIKJL-HBNTYKKESA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[C@]1(C)[N@H+]1CCN[C@H](C)CC1 575571414 352730453 /nfs/dbraw/zinc/73/04/53/352730453.db2.gz OSNGEHACNFIKJL-AXFHLTTASA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[C@]1(C)N1CC[NH2+][C@H](C)CC1 575571414 352730458 /nfs/dbraw/zinc/73/04/58/352730458.db2.gz OSNGEHACNFIKJL-AXFHLTTASA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CC[N@@H+]([C@@]2(C)C[C@H]2C)CCN1 575571422 352730535 /nfs/dbraw/zinc/73/05/35/352730535.db2.gz OSNGEHACNFIKJL-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CCN([C@@]2(C)C[C@H]2C)CC[NH2+]1 575571422 352730538 /nfs/dbraw/zinc/73/05/38/352730538.db2.gz OSNGEHACNFIKJL-MXWKQRLJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[C@@]([NH3+])(c2ccns2)CN1C 575571667 352731668 /nfs/dbraw/zinc/73/16/68/352731668.db2.gz NZCUMWOKQBOPAJ-CBAPKCEASA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@](N)(c2ccns2)C[N@H+]1C 575571670 352731647 /nfs/dbraw/zinc/73/16/47/352731647.db2.gz NZCUMWOKQBOPAJ-IONNQARKSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@]([NH3+])(c2ccns2)CN1C 575571670 352731649 /nfs/dbraw/zinc/73/16/49/352731649.db2.gz NZCUMWOKQBOPAJ-IONNQARKSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@@](N)(c2ccns2)C[N@H+]1C 575571667 352731667 /nfs/dbraw/zinc/73/16/67/352731667.db2.gz NZCUMWOKQBOPAJ-CBAPKCEASA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@@](N)(c2ccns2)C[N@H+]1C 575571665 352731842 /nfs/dbraw/zinc/73/18/42/352731842.db2.gz NZCUMWOKQBOPAJ-APPZFPTMSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@@]([NH3+])(c2ccns2)CN1C 575571665 352731846 /nfs/dbraw/zinc/73/18/46/352731846.db2.gz NZCUMWOKQBOPAJ-APPZFPTMSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@](N)(c2ccns2)C[N@H+]1C 575571672 352731918 /nfs/dbraw/zinc/73/19/18/352731918.db2.gz NZCUMWOKQBOPAJ-VXNVDRBHSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@]([NH3+])(c2ccns2)CN1C 575571672 352731920 /nfs/dbraw/zinc/73/19/20/352731920.db2.gz NZCUMWOKQBOPAJ-VXNVDRBHSA-N 1 1 197.307 1.021 10 0 ADAEMO CC(C)[C@H](C)C1([NH3+])CCN(C)CC1 575571763 352732430 /nfs/dbraw/zinc/73/24/30/352732430.db2.gz WTYWUTSUZPXVAL-JTQLQIEISA-N 1 1 184.327 1.702 10 0 ADAEMO CC(C)=CCN1CCC(C)([NH3+])CC1 575571733 352732510 /nfs/dbraw/zinc/73/25/10/352732510.db2.gz WGRUXPIMWWWXRU-UHFFFAOYSA-N 1 1 182.311 1.766 10 0 ADAEMO CC[N@H+]1CC[C@](N)(c2ccsc2)C1 575571816 352732533 /nfs/dbraw/zinc/73/25/33/352732533.db2.gz WZNSLTWWOINCJR-SNVBAGLBSA-N 1 1 196.319 1.628 10 0 ADAEMO CC[N@H+]1CC[C@@](N)(c2ccsc2)C1 575571814 352732615 /nfs/dbraw/zinc/73/26/15/352732615.db2.gz WZNSLTWWOINCJR-JTQLQIEISA-N 1 1 196.319 1.628 10 0 ADAEMO CC(C)[C@@H](C)C1([NH3+])CCN(C)CC1 575571765 352732727 /nfs/dbraw/zinc/73/27/27/352732727.db2.gz WTYWUTSUZPXVAL-SNVBAGLBSA-N 1 1 184.327 1.702 10 0 ADAEMO C[C@H]1C[NH2+][C@@H](c2ccc(F)cn2)S1 575571920 352733164 /nfs/dbraw/zinc/73/31/64/352733164.db2.gz QPRWXYNMOKGMIB-IMTBSYHQSA-N 1 1 198.266 1.944 10 0 ADAEMO C[C@H]1C[NH2+][C@H](c2ccc(F)cn2)S1 575571924 352733288 /nfs/dbraw/zinc/73/32/88/352733288.db2.gz QPRWXYNMOKGMIB-RCOVLWMOSA-N 1 1 198.266 1.944 10 0 ADAEMO C[C@@H]1C[NH2+][C@@H](c2ccc(F)cn2)S1 575571918 352733343 /nfs/dbraw/zinc/73/33/43/352733343.db2.gz QPRWXYNMOKGMIB-HZGVNTEJSA-N 1 1 198.266 1.944 10 0 ADAEMO C[C@@H]1C[NH2+][C@H](c2ccc(F)cn2)S1 575571922 352733413 /nfs/dbraw/zinc/73/34/13/352733413.db2.gz QPRWXYNMOKGMIB-MUWHJKNJSA-N 1 1 198.266 1.944 10 0 ADAEMO C[C@@H]1CCCC[N@H+]([C@H](C)[C@@H](C)N)C1 575572026 352733762 /nfs/dbraw/zinc/73/37/62/352733762.db2.gz LPGZZZNTJLWMPA-GMTAPVOTSA-N 1 1 184.327 1.844 10 0 ADAEMO Cc1cc([C@@H]2[NH2+]CCS2)ccn1 575571957 352733834 /nfs/dbraw/zinc/73/38/34/352733834.db2.gz ROVVUNIBPZIAOG-SECBINFHSA-N 1 1 180.276 1.725 10 0 ADAEMO C[C@@H]1C[C@@]1(C)Nc1ccc[nH+]c1N 575571984 352733899 /nfs/dbraw/zinc/73/38/99/352733899.db2.gz SADYBVBMOQDLNN-GMSGAONNSA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@H+]1CCCC[C@@H](C)C1 575572028 352733978 /nfs/dbraw/zinc/73/39/78/352733978.db2.gz LPGZZZNTJLWMPA-OUAUKWLOSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1C[C@@]1(C)Nc1ccc[nH+]c1N 575571985 352734093 /nfs/dbraw/zinc/73/40/93/352734093.db2.gz SADYBVBMOQDLNN-OIBJUYFYSA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@@H]([C@@H](C)N)[N@H+]1CCCC[C@@H](C)C1 575572027 352734103 /nfs/dbraw/zinc/73/41/03/352734103.db2.gz LPGZZZNTJLWMPA-MXWKQRLJSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1C[C@]1(C)Nc1ccc[nH+]c1N 575571987 352734114 /nfs/dbraw/zinc/73/41/14/352734114.db2.gz SADYBVBMOQDLNN-XVKPBYJWSA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@@H]1C[C@]1(C)Nc1ccc[nH+]c1N 575571986 352734123 /nfs/dbraw/zinc/73/41/23/352734123.db2.gz SADYBVBMOQDLNN-XCBNKYQSSA-N 1 1 177.251 1.874 10 0 ADAEMO Cc1cc([C@H]2[NH2+]CCS2)ccn1 575571958 352734144 /nfs/dbraw/zinc/73/41/44/352734144.db2.gz ROVVUNIBPZIAOG-VIFPVBQESA-N 1 1 180.276 1.725 10 0 ADAEMO C[C@H](N)[C@H](C)[N@H+]1CCCC[C@@H](C)C1 575572029 352734166 /nfs/dbraw/zinc/73/41/66/352734166.db2.gz LPGZZZNTJLWMPA-VWYCJHECSA-N 1 1 184.327 1.844 10 0 ADAEMO Cc1c(N[C@H](C)CF)nc[nH+]c1N 575572236 352735250 /nfs/dbraw/zinc/73/52/50/352735250.db2.gz NJJMTNIFCWOXQS-RXMQYKEDSA-N 1 1 184.218 1.137 10 0 ADAEMO Cc1c(N[C@@H](C)CF)nc[nH+]c1N 575572259 352735305 /nfs/dbraw/zinc/73/53/05/352735305.db2.gz NJJMTNIFCWOXQS-YFKPBYRVSA-N 1 1 184.218 1.137 10 0 ADAEMO C[C@@H]1C[C@@]1(C)Nc1[nH+]cccc1N 575572439 352735920 /nfs/dbraw/zinc/73/59/20/352735920.db2.gz VLZQAZWTGRQCDI-GMSGAONNSA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@H]1C[C@@]1(C)Nc1[nH+]cccc1N 575572440 352736206 /nfs/dbraw/zinc/73/62/06/352736206.db2.gz VLZQAZWTGRQCDI-OIBJUYFYSA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@H]1C[C@]1(C)Nc1[nH+]cccc1N 575572442 352736619 /nfs/dbraw/zinc/73/66/19/352736619.db2.gz VLZQAZWTGRQCDI-XVKPBYJWSA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@]2(C)C[C@@H]2C)o1 575572484 352736745 /nfs/dbraw/zinc/73/67/45/352736745.db2.gz ONFYDAZBJALVTJ-ATVXKPNKSA-N 1 1 181.239 1.387 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@@]2(C)C[C@H]2C)o1 575572485 352736817 /nfs/dbraw/zinc/73/68/17/352736817.db2.gz ONFYDAZBJALVTJ-JHEQGTHGSA-N 1 1 181.239 1.387 10 0 ADAEMO C[C@@H]1C[C@]1(C)Nc1[nH+]cccc1N 575572441 352736874 /nfs/dbraw/zinc/73/68/74/352736874.db2.gz VLZQAZWTGRQCDI-XCBNKYQSSA-N 1 1 177.251 1.874 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@@]2(C)C[C@@H]2C)o1 575572487 352736901 /nfs/dbraw/zinc/73/69/01/352736901.db2.gz ONFYDAZBJALVTJ-WATHFIQWSA-N 1 1 181.239 1.387 10 0 ADAEMO C[C@H]([NH3+])c1nnc([C@]2(C)C[C@H]2C)o1 575572486 352736924 /nfs/dbraw/zinc/73/69/24/352736924.db2.gz ONFYDAZBJALVTJ-QIOHGKGESA-N 1 1 181.239 1.387 10 0 ADAEMO CC[C@H](C)[C@]1([NH3+])C[C@H](C)N(C)C1 575572807 352737953 /nfs/dbraw/zinc/73/79/53/352737953.db2.gz WWQWNLQVCKAFLX-GUBZILKMSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)[C@]1([NH3+])C[C@@H](C)N(C)C1 575572804 352738084 /nfs/dbraw/zinc/73/80/84/352738084.db2.gz WWQWNLQVCKAFLX-AEJSXWLSSA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)[C@@]1([NH3+])C[C@H](C)N(C)C1 575572810 352738119 /nfs/dbraw/zinc/73/81/19/352738119.db2.gz WWQWNLQVCKAFLX-LPEHRKFASA-N 1 1 170.300 1.454 10 0 ADAEMO CC[C@H](C)[C@@]1([NH3+])C[C@@H](C)N(C)C1 575572808 352738176 /nfs/dbraw/zinc/73/81/76/352738176.db2.gz WWQWNLQVCKAFLX-IVZWLZJFSA-N 1 1 170.300 1.454 10 0 ADAEMO C[C@H]1C[C@@](N)(c2cncs2)C[N@H+]1C 575573021 352739284 /nfs/dbraw/zinc/73/92/84/352739284.db2.gz VOSBFPBDFKXAKW-CBAPKCEASA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@@]([NH3+])(c2cncs2)CN1C 575573021 352739286 /nfs/dbraw/zinc/73/92/86/352739286.db2.gz VOSBFPBDFKXAKW-CBAPKCEASA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@@](N)(c2ccsc2)C[N@H+]1C 575573015 352739311 /nfs/dbraw/zinc/73/93/11/352739311.db2.gz YDONHBPTZULFOY-WPRPVWTQSA-N 1 1 196.319 1.626 10 0 ADAEMO C[C@@H]1C[C@](N)(c2ccsc2)C[N@@H+]1C 575573008 352739367 /nfs/dbraw/zinc/73/93/67/352739367.db2.gz YDONHBPTZULFOY-PSASIEDQSA-N 1 1 196.319 1.626 10 0 ADAEMO C[C@@H]1C[C@](N)(c2ccsc2)C[N@H+]1C 575573008 352739369 /nfs/dbraw/zinc/73/93/69/352739369.db2.gz YDONHBPTZULFOY-PSASIEDQSA-N 1 1 196.319 1.626 10 0 ADAEMO C[C@@H]1C[C@@](N)(c2cscn2)C[N@@H+]1C 575573073 352739391 /nfs/dbraw/zinc/73/93/91/352739391.db2.gz YQVXGCVWACZUPD-APPZFPTMSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@@](N)(c2cscn2)C[N@H+]1C 575573073 352739393 /nfs/dbraw/zinc/73/93/93/352739393.db2.gz YQVXGCVWACZUPD-APPZFPTMSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@@](N)(c2cscn2)C[N@@H+]1C 575573075 352739401 /nfs/dbraw/zinc/73/94/01/352739401.db2.gz YQVXGCVWACZUPD-CBAPKCEASA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@@](N)(c2cscn2)C[N@H+]1C 575573075 352739403 /nfs/dbraw/zinc/73/94/03/352739403.db2.gz YQVXGCVWACZUPD-CBAPKCEASA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@](N)(c2cncs2)C[N@H+]1C 575573022 352739427 /nfs/dbraw/zinc/73/94/27/352739427.db2.gz VOSBFPBDFKXAKW-IONNQARKSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@]([NH3+])(c2cncs2)CN1C 575573022 352739428 /nfs/dbraw/zinc/73/94/28/352739428.db2.gz VOSBFPBDFKXAKW-IONNQARKSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@](N)(c2cscn2)C[N@@H+]1C 575573076 352739439 /nfs/dbraw/zinc/73/94/39/352739439.db2.gz YQVXGCVWACZUPD-IONNQARKSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@](N)(c2cscn2)C[N@H+]1C 575573076 352739440 /nfs/dbraw/zinc/73/94/40/352739440.db2.gz YQVXGCVWACZUPD-IONNQARKSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@](N)(c2cncs2)C[N@H+]1C 575573023 352739464 /nfs/dbraw/zinc/73/94/64/352739464.db2.gz VOSBFPBDFKXAKW-VXNVDRBHSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@]([NH3+])(c2cncs2)CN1C 575573023 352739467 /nfs/dbraw/zinc/73/94/67/352739467.db2.gz VOSBFPBDFKXAKW-VXNVDRBHSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@H]1C[C@](N)(c2ccsc2)C[N@@H+]1C 575573013 352739507 /nfs/dbraw/zinc/73/95/07/352739507.db2.gz YDONHBPTZULFOY-WCBMZHEXSA-N 1 1 196.319 1.626 10 0 ADAEMO C[C@H]1C[C@](N)(c2ccsc2)C[N@H+]1C 575573013 352739509 /nfs/dbraw/zinc/73/95/09/352739509.db2.gz YDONHBPTZULFOY-WCBMZHEXSA-N 1 1 196.319 1.626 10 0 ADAEMO C[C@@H]1C[C@@](N)(c2cncs2)C[N@H+]1C 575573020 352739530 /nfs/dbraw/zinc/73/95/30/352739530.db2.gz VOSBFPBDFKXAKW-APPZFPTMSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@](N)(c2cscn2)C[N@@H+]1C 575573078 352739579 /nfs/dbraw/zinc/73/95/79/352739579.db2.gz YQVXGCVWACZUPD-VXNVDRBHSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@](N)(c2cscn2)C[N@H+]1C 575573078 352739582 /nfs/dbraw/zinc/73/95/82/352739582.db2.gz YQVXGCVWACZUPD-VXNVDRBHSA-N 1 1 197.307 1.021 10 0 ADAEMO C[C@@H]1C[C@@](N)(c2ccsc2)C[N@@H+]1C 575573011 352739614 /nfs/dbraw/zinc/73/96/14/352739614.db2.gz YDONHBPTZULFOY-SCZZXKLOSA-N 1 1 196.319 1.626 10 0 ADAEMO C[C@@H]1C[C@@](N)(c2ccsc2)C[N@H+]1C 575573011 352739617 /nfs/dbraw/zinc/73/96/17/352739617.db2.gz YDONHBPTZULFOY-SCZZXKLOSA-N 1 1 196.319 1.626 10 0 ADAEMO C[C@@H]1CCCC[N@@H+](CC2(N)CC2)C1 575573185 352740099 /nfs/dbraw/zinc/74/00/99/352740099.db2.gz UTDVIPKBMVCTAT-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H]1C[C@]1(C)CN1CCC([NH3+])CC1 575573188 352740161 /nfs/dbraw/zinc/74/01/61/352740161.db2.gz ZFIAYQYKVPBIPE-GXSJLCMTSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1CCCC[N@@H+](CC2(N)CC2)C1 575573183 352740259 /nfs/dbraw/zinc/74/02/59/352740259.db2.gz UTDVIPKBMVCTAT-JTQLQIEISA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@H]1C[C@@]1(C)CN1CCC([NH3+])CC1 575573192 352740388 /nfs/dbraw/zinc/74/03/88/352740388.db2.gz ZFIAYQYKVPBIPE-ONGXEEELSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[C@@]1(C)CN1CCC([NH3+])CC1 575573190 352740426 /nfs/dbraw/zinc/74/04/26/352740426.db2.gz ZFIAYQYKVPBIPE-KOLCDFICSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H]1C[C@]1(C)CN1CCC([NH3+])CC1 575573191 352740434 /nfs/dbraw/zinc/74/04/34/352740434.db2.gz ZFIAYQYKVPBIPE-MWLCHTKSSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@H]1C[C@@]1(C)[N@H+]1CCCNCC1 575573250 352740767 /nfs/dbraw/zinc/74/07/67/352740767.db2.gz ZZWAPYAQWCOYBV-VHSXEESVSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]1C[C@@]1(C)N1CCC[NH2+]CC1 575573250 352740769 /nfs/dbraw/zinc/74/07/69/352740769.db2.gz ZZWAPYAQWCOYBV-VHSXEESVSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@H]1C[C@]1(C)[N@H+]1CCNC[C@@H](C)C1 575573245 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1.454 10 0 ADAEMO CC(C)[C@@]1(N)C[N@@H+](C)C(C)(C)C1 575580997 352780362 /nfs/dbraw/zinc/78/03/62/352780362.db2.gz JELQROSJEBHQCL-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[C@@]1([NH3+])CN(C)C(C)(C)C1 575580997 352780364 /nfs/dbraw/zinc/78/03/64/352780364.db2.gz JELQROSJEBHQCL-JTQLQIEISA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[C@]1(N)C[N@H+](C)C(C)(C)C1 575580998 352780550 /nfs/dbraw/zinc/78/05/50/352780550.db2.gz JELQROSJEBHQCL-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[C@]1(N)C[N@@H+](C)C(C)(C)C1 575580998 352780553 /nfs/dbraw/zinc/78/05/53/352780553.db2.gz JELQROSJEBHQCL-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO CC(C)[C@]1([NH3+])CN(C)C(C)(C)C1 575580998 352780559 /nfs/dbraw/zinc/78/05/59/352780559.db2.gz JELQROSJEBHQCL-SNVBAGLBSA-N 1 1 170.300 1.454 10 0 ADAEMO [NH3+][C@H](c1cnsc1)c1ccsn1 575581315 352781879 /nfs/dbraw/zinc/78/18/79/352781879.db2.gz NKQBPJMNHVNFLZ-SSDOTTSWSA-N 1 1 197.288 1.648 10 0 ADAEMO CC(C)[C@@]1([NH3+])CC[N@H+]2CC[C@H]1C2 575581258 352781909 /nfs/dbraw/zinc/78/19/09/352781909.db2.gz MWHMQIWOMJDGPD-UWVGGRQHSA-N 1 1 168.284 1.066 10 0 ADAEMO [NH3+][C@@H](c1cnsc1)c1ccsn1 575581316 352782079 /nfs/dbraw/zinc/78/20/79/352782079.db2.gz NKQBPJMNHVNFLZ-ZETCQYMHSA-N 1 1 197.288 1.648 10 0 ADAEMO CC(C)C[C@@]1([NH3+])CN(C)C(C)(C)C1 575581615 352783293 /nfs/dbraw/zinc/78/32/93/352783293.db2.gz UREZDEZWCUINEI-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@@]1(N)C[N@H+](C)C(C)(C)C1 575581615 352783295 /nfs/dbraw/zinc/78/32/95/352783295.db2.gz UREZDEZWCUINEI-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@@]1(N)C[N@@H+](C)C(C)(C)C1 575581615 352783297 /nfs/dbraw/zinc/78/32/97/352783297.db2.gz UREZDEZWCUINEI-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@]1([NH3+])CN(C)C(C)(C)C1 575581614 352783542 /nfs/dbraw/zinc/78/35/42/352783542.db2.gz UREZDEZWCUINEI-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@]1(N)C[N@H+](C)C(C)(C)C1 575581614 352783546 /nfs/dbraw/zinc/78/35/46/352783546.db2.gz UREZDEZWCUINEI-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)C[C@]1(N)C[N@@H+](C)C(C)(C)C1 575581614 352783548 /nfs/dbraw/zinc/78/35/48/352783548.db2.gz UREZDEZWCUINEI-LLVKDONJSA-N 1 1 184.327 1.844 10 0 ADAEMO CC[C@@]1(N)C[N@H+](C)C(C)(C)C1 575581838 352784075 /nfs/dbraw/zinc/78/40/75/352784075.db2.gz YOOOUJOUZWXGAL-VIFPVBQESA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@]1(N)C[N@@H+](C)C(C)(C)C1 575581838 352784077 /nfs/dbraw/zinc/78/40/77/352784077.db2.gz YOOOUJOUZWXGAL-VIFPVBQESA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@]1([NH3+])CN(C)C(C)(C)C1 575581838 352784080 /nfs/dbraw/zinc/78/40/80/352784080.db2.gz YOOOUJOUZWXGAL-VIFPVBQESA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@]1(N)C[N@H+](C)C(C)(C)C1 575581837 352784127 /nfs/dbraw/zinc/78/41/27/352784127.db2.gz YOOOUJOUZWXGAL-SECBINFHSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@]1(N)C[N@@H+](C)C(C)(C)C1 575581837 352784130 /nfs/dbraw/zinc/78/41/30/352784130.db2.gz YOOOUJOUZWXGAL-SECBINFHSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@]1([NH3+])CN(C)C(C)(C)C1 575581837 352784132 /nfs/dbraw/zinc/78/41/32/352784132.db2.gz YOOOUJOUZWXGAL-SECBINFHSA-N 1 1 156.273 1.208 10 0 ADAEMO CCC[C@@]1([NH3+])CN(C)C(C)(C)C1 575581739 352784156 /nfs/dbraw/zinc/78/41/56/352784156.db2.gz XBLHIVQCVYGNSP-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@@]1(N)C[N@H+](C)C(C)(C)C1 575581739 352784159 /nfs/dbraw/zinc/78/41/59/352784159.db2.gz XBLHIVQCVYGNSP-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@@]1(N)C[N@@H+](C)C(C)(C)C1 575581739 352784162 /nfs/dbraw/zinc/78/41/62/352784162.db2.gz XBLHIVQCVYGNSP-JTQLQIEISA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@]1([NH3+])CN(C)C(C)(C)C1 575581740 352784207 /nfs/dbraw/zinc/78/42/07/352784207.db2.gz XBLHIVQCVYGNSP-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@]1(N)C[N@H+](C)C(C)(C)C1 575581740 352784209 /nfs/dbraw/zinc/78/42/09/352784209.db2.gz XBLHIVQCVYGNSP-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO CCC[C@]1(N)C[N@@H+](C)C(C)(C)C1 575581740 352784211 /nfs/dbraw/zinc/78/42/11/352784211.db2.gz XBLHIVQCVYGNSP-SNVBAGLBSA-N 1 1 170.300 1.598 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@H+]1C[C@H]1C[C@H]1C 575582011 352785994 /nfs/dbraw/zinc/78/59/94/352785994.db2.gz BIYMMBBMFGXUKS-UTINFBMNSA-N 1 1 168.284 1.064 10 0 ADAEMO C[C@H]1[C@H](N)CC[N@@H+]1C[C@H]1C[C@H]1C 575582011 352785996 /nfs/dbraw/zinc/78/59/96/352785996.db2.gz BIYMMBBMFGXUKS-UTINFBMNSA-N 1 1 168.284 1.064 10 0 ADAEMO CCc1c[nH]c(N2CC[C@@H]3C[C@@H]32)[nH+]1 575582115 352786008 /nfs/dbraw/zinc/78/60/08/352786008.db2.gz AQDRVTXMCGAXSI-APPZFPTMSA-N 1 1 177.251 1.571 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](N)[C@H]1C 575582013 352786203 /nfs/dbraw/zinc/78/62/03/352786203.db2.gz BIYMMBBMFGXUKS-ZYUZMQFOSA-N 1 1 168.284 1.064 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](N)[C@H]1C 575582013 352786206 /nfs/dbraw/zinc/78/62/06/352786206.db2.gz BIYMMBBMFGXUKS-ZYUZMQFOSA-N 1 1 168.284 1.064 10 0 ADAEMO CCc1c[nH]c(N2CC[C@H]3C[C@H]32)[nH+]1 575582130 352786259 /nfs/dbraw/zinc/78/62/59/352786259.db2.gz AQDRVTXMCGAXSI-IONNQARKSA-N 1 1 177.251 1.571 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@H+]1C[C@H]1C[C@H]1C 575582010 352786323 /nfs/dbraw/zinc/78/63/23/352786323.db2.gz BIYMMBBMFGXUKS-RGOKHQFPSA-N 1 1 168.284 1.064 10 0 ADAEMO C[C@H]1[C@@H](N)CC[N@@H+]1C[C@H]1C[C@H]1C 575582010 352786325 /nfs/dbraw/zinc/78/63/25/352786325.db2.gz BIYMMBBMFGXUKS-RGOKHQFPSA-N 1 1 168.284 1.064 10 0 ADAEMO CC[C@@H]([NH3+])C[N@@H+]1C[C@H](C)[C@@H]1C 575582184 352786608 /nfs/dbraw/zinc/78/66/08/352786608.db2.gz CKNHOUNDFOJXMU-XHNCKOQMSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H]1C 575582181 352786724 /nfs/dbraw/zinc/78/67/24/352786724.db2.gz CKNHOUNDFOJXMU-IWSPIJDZSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H]1C 575582181 352786726 /nfs/dbraw/zinc/78/67/26/352786726.db2.gz CKNHOUNDFOJXMU-IWSPIJDZSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@H]([NH3+])C[N@H+]1C[C@H](C)[C@@H]1C 575582174 352786742 /nfs/dbraw/zinc/78/67/42/352786742.db2.gz CKNHOUNDFOJXMU-CIUDSAMLSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@@H]([NH3+])C[N@H+]1C[C@H](C)[C@H]1C 575582175 352786807 /nfs/dbraw/zinc/78/68/07/352786807.db2.gz CKNHOUNDFOJXMU-DJLDLDEBSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H]1C 575582177 352787057 /nfs/dbraw/zinc/78/70/57/352787057.db2.gz CKNHOUNDFOJXMU-HLTSFMKQSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H]1C 575582183 352787107 /nfs/dbraw/zinc/78/71/07/352787107.db2.gz CKNHOUNDFOJXMU-VGMNWLOBSA-N 1 1 156.273 1.064 10 0 ADAEMO CC1(C)CC[N@H+]1C[C@@H]1CCCC1=O 575582265 352787430 /nfs/dbraw/zinc/78/74/30/352787430.db2.gz DJJLXZSACWZJMJ-VIFPVBQESA-N 1 1 181.279 1.840 10 0 ADAEMO CC1(C)CC[N@H+]1C[C@H]1CCCC1=O 575582263 352787776 /nfs/dbraw/zinc/78/77/76/352787776.db2.gz DJJLXZSACWZJMJ-SECBINFHSA-N 1 1 181.279 1.840 10 0 ADAEMO CC1(C)CC(c2nnc(C[NH3+])s2)C1 575582418 352788404 /nfs/dbraw/zinc/78/84/04/352788404.db2.gz FIRUPAUBDJWYRT-UHFFFAOYSA-N 1 1 197.307 1.900 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@H](O)c1ccc[nH]1 575582716 352789041 /nfs/dbraw/zinc/78/90/41/352789041.db2.gz SHTQOOPHALLKDB-NXEZZACHSA-N 1 1 180.251 1.142 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1C1(C[NH3+])CCC1 575582731 352789174 /nfs/dbraw/zinc/78/91/74/352789174.db2.gz GSLQTUUMLZTGFV-BDAKNGLRSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1C1(C[NH3+])CCC1 575582731 352789177 /nfs/dbraw/zinc/78/91/77/352789177.db2.gz GSLQTUUMLZTGFV-BDAKNGLRSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1C1(CN)CCC1 575582731 352789180 /nfs/dbraw/zinc/78/91/80/352789180.db2.gz GSLQTUUMLZTGFV-BDAKNGLRSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1C1(CN)CCC1 575582731 352789182 /nfs/dbraw/zinc/78/91/82/352789182.db2.gz GSLQTUUMLZTGFV-BDAKNGLRSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[N@@H+](C2(C[NH3+])CCC2)[C@@H]1C 575582732 352789208 /nfs/dbraw/zinc/78/92/08/352789208.db2.gz GSLQTUUMLZTGFV-DTWKUNHWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[N@H+](C2(C[NH3+])CCC2)[C@@H]1C 575582732 352789212 /nfs/dbraw/zinc/78/92/12/352789212.db2.gz GSLQTUUMLZTGFV-DTWKUNHWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[N@@H+](C2(CN)CCC2)[C@@H]1C 575582732 352789213 /nfs/dbraw/zinc/78/92/13/352789213.db2.gz GSLQTUUMLZTGFV-DTWKUNHWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[N@H+](C2(CN)CCC2)[C@@H]1C 575582732 352789216 /nfs/dbraw/zinc/78/92/16/352789216.db2.gz GSLQTUUMLZTGFV-DTWKUNHWSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[N@@H+](C2(C[NH3+])CCC2)[C@H]1C 575582733 352789224 /nfs/dbraw/zinc/78/92/24/352789224.db2.gz GSLQTUUMLZTGFV-IUCAKERBSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[N@H+](C2(C[NH3+])CCC2)[C@H]1C 575582733 352789225 /nfs/dbraw/zinc/78/92/25/352789225.db2.gz GSLQTUUMLZTGFV-IUCAKERBSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[N@@H+](C2(CN)CCC2)[C@H]1C 575582733 352789228 /nfs/dbraw/zinc/78/92/28/352789228.db2.gz GSLQTUUMLZTGFV-IUCAKERBSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@H]1C[N@H+](C2(CN)CCC2)[C@H]1C 575582733 352789231 /nfs/dbraw/zinc/78/92/31/352789231.db2.gz GSLQTUUMLZTGFV-IUCAKERBSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@@H](O)c1ccc[nH]1 575582718 352789237 /nfs/dbraw/zinc/78/92/37/352789237.db2.gz SHTQOOPHALLKDB-UWVGGRQHSA-N 1 1 180.251 1.142 10 0 ADAEMO C[C@@H]1C[N@@H+](C2(C[NH3+])CCC2)[C@@H]1C 575582734 352789257 /nfs/dbraw/zinc/78/92/57/352789257.db2.gz GSLQTUUMLZTGFV-RKDXNWHRSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[N@H+](C2(C[NH3+])CCC2)[C@@H]1C 575582734 352789259 /nfs/dbraw/zinc/78/92/59/352789259.db2.gz GSLQTUUMLZTGFV-RKDXNWHRSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[N@@H+](C2(CN)CCC2)[C@@H]1C 575582734 352789262 /nfs/dbraw/zinc/78/92/62/352789262.db2.gz GSLQTUUMLZTGFV-RKDXNWHRSA-N 1 1 168.284 1.208 10 0 ADAEMO C[C@@H]1C[N@H+](C2(CN)CCC2)[C@@H]1C 575582734 352789266 /nfs/dbraw/zinc/78/92/66/352789266.db2.gz GSLQTUUMLZTGFV-RKDXNWHRSA-N 1 1 168.284 1.208 10 0 ADAEMO C[N@H+]1CCC[C@@H]1[C@@H](O)c1ccc[nH]1 575582721 352789361 /nfs/dbraw/zinc/78/93/61/352789361.db2.gz SHTQOOPHALLKDB-ZJUUUORDSA-N 1 1 180.251 1.142 10 0 ADAEMO CC1(C)C[C@]1(C)c1nnc(C[NH3+])s1 575582594 352789384 /nfs/dbraw/zinc/78/93/84/352789384.db2.gz GWFHCLVRLSISHV-SECBINFHSA-N 1 1 197.307 1.684 10 0 ADAEMO C[C@H]1CC[C@@H](C)[N@H+]1CC1(C)C[NH2+]C1 575582748 352789403 /nfs/dbraw/zinc/78/94/03/352789403.db2.gz HCBMJOGRCGFSIU-AOOOYVTPSA-N 1 1 182.311 1.469 10 0 ADAEMO CC1(C)C[C@@]1(C)c1nnc(C[NH3+])s1 575582605 352789415 /nfs/dbraw/zinc/78/94/15/352789415.db2.gz GWFHCLVRLSISHV-VIFPVBQESA-N 1 1 197.307 1.684 10 0 ADAEMO C[N@H+]1CCC[C@H]1[C@H](O)c1ccc[nH]1 575582720 352789419 /nfs/dbraw/zinc/78/94/19/352789419.db2.gz SHTQOOPHALLKDB-VHSXEESVSA-N 1 1 180.251 1.142 10 0 ADAEMO C[C@@H]1CN(c2ccc(N)c[nH+]2)[C@@H]1C 575582858 352789812 /nfs/dbraw/zinc/78/98/12/352789812.db2.gz IOBGTEUBRPDICN-HTQZYQBOSA-N 1 1 177.251 1.508 10 0 ADAEMO C[C@H]1[C@H](C)CN1c1ccc(N)c[nH+]1 575582860 352789706 /nfs/dbraw/zinc/78/97/06/352789706.db2.gz IOBGTEUBRPDICN-SFYZADRCSA-N 1 1 177.251 1.508 10 0 ADAEMO C[C@H]([NH3+])c1ncc([C@]2(C)C[C@@H]2C)o1 575582851 352789796 /nfs/dbraw/zinc/78/97/96/352789796.db2.gz IFWBARYQWWPWOY-MHYGZLNHSA-N 1 1 180.251 1.992 10 0 ADAEMO C[C@H]([NH3+])c1ncc([C@@]2(C)C[C@H]2C)o1 575582849 352789930 /nfs/dbraw/zinc/78/99/30/352789930.db2.gz IFWBARYQWWPWOY-FWWHASMVSA-N 1 1 180.251 1.992 10 0 ADAEMO C[C@H]([NH3+])c1ncc([C@]2(C)C[C@H]2C)o1 575582850 352789995 /nfs/dbraw/zinc/78/99/95/352789995.db2.gz IFWBARYQWWPWOY-MATHAZKKSA-N 1 1 180.251 1.992 10 0 ADAEMO C[C@H]1CN(c2ccc(N)c[nH+]2)[C@H]1C 575582861 352790041 /nfs/dbraw/zinc/79/00/41/352790041.db2.gz IOBGTEUBRPDICN-YUMQZZPRSA-N 1 1 177.251 1.508 10 0 ADAEMO C[C@H]1CN(c2ccc(N)c[nH+]2)[C@@H]1C 575582859 352790174 /nfs/dbraw/zinc/79/01/74/352790174.db2.gz IOBGTEUBRPDICN-JGVFFNPUSA-N 1 1 177.251 1.508 10 0 ADAEMO CN(c1[nH]cc[nH+]1)[C@@H]1CCCSC1 575582988 352790808 /nfs/dbraw/zinc/79/08/08/352790808.db2.gz ZKZYUILDPCMACI-MRVPVSSYSA-N 1 1 197.307 1.742 10 0 ADAEMO CN(c1[nH]cc[nH+]1)[C@H]1CCCSC1 575582989 352790932 /nfs/dbraw/zinc/79/09/32/352790932.db2.gz ZKZYUILDPCMACI-QMMMGPOBSA-N 1 1 197.307 1.742 10 0 ADAEMO C[C@@H]([NH3+])CN1C[C@H]2CCCCC[C@@H]21 575583160 352791253 /nfs/dbraw/zinc/79/12/53/352791253.db2.gz JGEKGENPXTWPOY-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@H](C)CN1c1[nH+]cccc1N 575583164 352791327 /nfs/dbraw/zinc/79/13/27/352791327.db2.gz KUBCDHRMZFRAKK-SFYZADRCSA-N 1 1 177.251 1.508 10 0 ADAEMO C[C@@H]([NH3+])CN1C[C@H]2CCCCC[C@H]21 575583155 352791397 /nfs/dbraw/zinc/79/13/97/352791397.db2.gz JGEKGENPXTWPOY-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CN(c2[nH+]cccc2N)[C@@H]1C 575583162 352791446 /nfs/dbraw/zinc/79/14/46/352791446.db2.gz KUBCDHRMZFRAKK-HTQZYQBOSA-N 1 1 177.251 1.508 10 0 ADAEMO C[C@H]1CN(c2[nH+]cccc2N)[C@H]1C 575583165 352791529 /nfs/dbraw/zinc/79/15/29/352791529.db2.gz KUBCDHRMZFRAKK-YUMQZZPRSA-N 1 1 177.251 1.508 10 0 ADAEMO C[C@H]1CN(c2[nH+]cccc2N)[C@@H]1C 575583163 352791547 /nfs/dbraw/zinc/79/15/47/352791547.db2.gz KUBCDHRMZFRAKK-JGVFFNPUSA-N 1 1 177.251 1.508 10 0 ADAEMO C[C@@H]([NH3+])CN1C[C@@H]2CCCCC[C@@H]21 575583177 352792029 /nfs/dbraw/zinc/79/20/29/352792029.db2.gz JGEKGENPXTWPOY-VWYCJHECSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]([NH3+])CN1C[C@@H]2CCCCC[C@H]21 575583168 352792095 /nfs/dbraw/zinc/79/20/95/352792095.db2.gz JGEKGENPXTWPOY-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H](CF)N1CC[C@@H]([NH3+])[C@@H](C)[C@H]1C 575583251 352792157 /nfs/dbraw/zinc/79/21/57/352792157.db2.gz LLYLLPNTFPXCAJ-AXTSPUMRSA-N 1 1 188.290 1.402 10 0 ADAEMO C[C@@H](CF)N1CC[C@@H]([NH3+])[C@@H](C)[C@@H]1C 575583250 352792180 /nfs/dbraw/zinc/79/21/80/352792180.db2.gz LLYLLPNTFPXCAJ-AATLWQCWSA-N 1 1 188.290 1.402 10 0 ADAEMO C[C@H]1[C@H](C)[C@H]([NH3+])CCN1[C@H](C)CF 575583253 352792343 /nfs/dbraw/zinc/79/23/43/352792343.db2.gz LLYLLPNTFPXCAJ-XFWSIPNHSA-N 1 1 188.290 1.402 10 0 ADAEMO C[C@@H]1[C@H]([NH3+])CCN([C@H](C)CF)[C@@H]1C 575583252 352792384 /nfs/dbraw/zinc/79/23/84/352792384.db2.gz LLYLLPNTFPXCAJ-UTINFBMNSA-N 1 1 188.290 1.402 10 0 ADAEMO CC(C)([NH3+])CN1C[C@H]2CCCC[C@@H]21 575583424 352792901 /nfs/dbraw/zinc/79/29/01/352792901.db2.gz KQCYPTWVGHBHFG-ZJUUUORDSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)([NH3+])C[N@H+]1C[C@@H]2CCCC[C@@H]21 575583422 352792846 /nfs/dbraw/zinc/79/28/46/352792846.db2.gz KQCYPTWVGHBHFG-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)([NH3+])CN1C[C@@H]2CCCC[C@@H]21 575583422 352792847 /nfs/dbraw/zinc/79/28/47/352792847.db2.gz KQCYPTWVGHBHFG-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)([NH3+])C[N@H+]1C[C@@H]2CCCC[C@H]21 575583423 352792889 /nfs/dbraw/zinc/79/28/89/352792889.db2.gz KQCYPTWVGHBHFG-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)([NH3+])CN1C[C@@H]2CCCC[C@H]21 575583423 352792890 /nfs/dbraw/zinc/79/28/90/352792890.db2.gz KQCYPTWVGHBHFG-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)([NH3+])C[N@H+]1C[C@H]2CCCC[C@@H]21 575583424 352792900 /nfs/dbraw/zinc/79/29/00/352792900.db2.gz KQCYPTWVGHBHFG-ZJUUUORDSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)([NH3+])C[N@H+]1C[C@H]2CCCC[C@H]21 575583421 352793043 /nfs/dbraw/zinc/79/30/43/352793043.db2.gz KQCYPTWVGHBHFG-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)([NH3+])CN1C[C@H]2CCCC[C@H]21 575583421 352793044 /nfs/dbraw/zinc/79/30/44/352793044.db2.gz KQCYPTWVGHBHFG-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO CC1(CN2CCC2(C)C)C[NH2+]C1 575583725 352793608 /nfs/dbraw/zinc/79/36/08/352793608.db2.gz MALZEEAZLXEMME-UHFFFAOYSA-N 1 1 168.284 1.080 10 0 ADAEMO CC1CC(C[NH3+])(N2C[C@H](C)[C@H]2C)C1 575583773 352794364 /nfs/dbraw/zinc/79/43/64/352794364.db2.gz MOEUASUSFGYYFD-LIZLNQBYSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(CN)([N@@H+]2C[C@H](C)[C@H]2C)C1 575583773 352794368 /nfs/dbraw/zinc/79/43/68/352794368.db2.gz MOEUASUSFGYYFD-LIZLNQBYSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(CN)([N@H+]2C[C@H](C)[C@H]2C)C1 575583773 352794370 /nfs/dbraw/zinc/79/43/70/352794370.db2.gz MOEUASUSFGYYFD-LIZLNQBYSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(C[NH3+])(N2C[C@@H](C)[C@@H]2C)C1 575583775 352794453 /nfs/dbraw/zinc/79/44/53/352794453.db2.gz MOEUASUSFGYYFD-WIFZPCQCSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(CN)([N@@H+]2C[C@@H](C)[C@@H]2C)C1 575583775 352794454 /nfs/dbraw/zinc/79/44/54/352794454.db2.gz MOEUASUSFGYYFD-WIFZPCQCSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(CN)([N@H+]2C[C@@H](C)[C@@H]2C)C1 575583775 352794457 /nfs/dbraw/zinc/79/44/57/352794457.db2.gz MOEUASUSFGYYFD-WIFZPCQCSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(C[NH3+])(N2C[C@H](C)[C@@H]2C)C1 575583774 352794502 /nfs/dbraw/zinc/79/45/02/352794502.db2.gz MOEUASUSFGYYFD-SEQHWMEXSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(CN)([N@@H+]2C[C@H](C)[C@@H]2C)C1 575583774 352794506 /nfs/dbraw/zinc/79/45/06/352794506.db2.gz MOEUASUSFGYYFD-SEQHWMEXSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(CN)([N@H+]2C[C@H](C)[C@@H]2C)C1 575583774 352794508 /nfs/dbraw/zinc/79/45/08/352794508.db2.gz MOEUASUSFGYYFD-SEQHWMEXSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(C[NH3+])(N2C[C@@H](C)[C@H]2C)C1 575583779 352794617 /nfs/dbraw/zinc/79/46/17/352794617.db2.gz MOEUASUSFGYYFD-WYNUPADASA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(CN)([N@@H+]2C[C@@H](C)[C@H]2C)C1 575583779 352794621 /nfs/dbraw/zinc/79/46/21/352794621.db2.gz MOEUASUSFGYYFD-WYNUPADASA-N 1 1 182.311 1.454 10 0 ADAEMO CC1CC(CN)([N@H+]2C[C@@H](C)[C@H]2C)C1 575583779 352794623 /nfs/dbraw/zinc/79/46/23/352794623.db2.gz MOEUASUSFGYYFD-WYNUPADASA-N 1 1 182.311 1.454 10 0 ADAEMO CC1(C)CCN1CC1([NH3+])CCCC1 575583870 352795044 /nfs/dbraw/zinc/79/50/44/352795044.db2.gz NCXWOQFOXVWAGT-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO CC1(C)C[C@@]1(C)c1cnc(C[NH3+])o1 575584067 352795068 /nfs/dbraw/zinc/79/50/68/352795068.db2.gz RVZDHNGMXBYOEE-JTQLQIEISA-N 1 1 180.251 1.821 10 0 ADAEMO CC1(C)C[C@]1(C)c1cnc(C[NH3+])o1 575584068 352795142 /nfs/dbraw/zinc/79/51/42/352795142.db2.gz RVZDHNGMXBYOEE-SNVBAGLBSA-N 1 1 180.251 1.821 10 0 ADAEMO O=C1CCC[C@@H]1C[N@H+]1CC[C@H]2C[C@H]21 575584213 352796077 /nfs/dbraw/zinc/79/60/77/352796077.db2.gz OLGXTWWSMFOGEV-IVZWLZJFSA-N 1 1 179.263 1.450 10 0 ADAEMO C[C@H]1CN(c2ccc[nH+]c2N)[C@@H]1C 575584645 352798227 /nfs/dbraw/zinc/79/82/27/352798227.db2.gz WZAPFMNVSJMMOD-JGVFFNPUSA-N 1 1 177.251 1.508 10 0 ADAEMO C[C@H]1[C@H](C)CN1c1ccc[nH+]c1N 575584648 352798247 /nfs/dbraw/zinc/79/82/47/352798247.db2.gz WZAPFMNVSJMMOD-SFYZADRCSA-N 1 1 177.251 1.508 10 0 ADAEMO CC1(CN2C[C@@H]3CCC[C@H]32)C[NH2+]C1 575584764 352798321 /nfs/dbraw/zinc/79/83/21/352798321.db2.gz QFWGKYWBEBAPGV-VHSXEESVSA-N 1 1 180.295 1.080 10 0 ADAEMO CC1(CN2C[C@@H]3CCC[C@@H]32)C[NH2+]C1 575584763 352798384 /nfs/dbraw/zinc/79/83/84/352798384.db2.gz QFWGKYWBEBAPGV-UWVGGRQHSA-N 1 1 180.295 1.080 10 0 ADAEMO CC1(CN2C[C@H]3CCC[C@H]32)C[NH2+]C1 575584762 352798399 /nfs/dbraw/zinc/79/83/99/352798399.db2.gz QFWGKYWBEBAPGV-NXEZZACHSA-N 1 1 180.295 1.080 10 0 ADAEMO C[C@@H]1CN(c2ccc[nH+]c2N)[C@@H]1C 575584642 352798418 /nfs/dbraw/zinc/79/84/18/352798418.db2.gz WZAPFMNVSJMMOD-HTQZYQBOSA-N 1 1 177.251 1.508 10 0 ADAEMO C[C@H]1CN(c2ccc[nH+]c2N)[C@H]1C 575584653 352798512 /nfs/dbraw/zinc/79/85/12/352798512.db2.gz WZAPFMNVSJMMOD-YUMQZZPRSA-N 1 1 177.251 1.508 10 0 ADAEMO c1c[nH+]c(N2CCC3(CC2)CC3)[nH]1 575584692 352798561 /nfs/dbraw/zinc/79/85/61/352798561.db2.gz XMIPXCWYGPWYII-UHFFFAOYSA-N 1 1 177.251 1.790 10 0 ADAEMO C[C@H]1C[C@@]1(C)c1nnc(C[NH3+])s1 575584884 352798829 /nfs/dbraw/zinc/79/88/29/352798829.db2.gz YJOZAXOIGNIPOH-YLWLKBPMSA-N 1 1 183.280 1.294 10 0 ADAEMO C[C@@H]1C[C@@]1(C)c1cnc(C[NH3+])o1 575584856 352798891 /nfs/dbraw/zinc/79/88/91/352798891.db2.gz XVLOBAZNUUIHOD-HZGVNTEJSA-N 1 1 166.224 1.431 10 0 ADAEMO C[C@H]1C[C@@]1(C)c1cnc(C[NH3+])o1 575584857 352798913 /nfs/dbraw/zinc/79/89/13/352798913.db2.gz XVLOBAZNUUIHOD-IMTBSYHQSA-N 1 1 166.224 1.431 10 0 ADAEMO C[C@@H]1C[C@]1(C)c1nnc(C[NH3+])s1 575584883 352798941 /nfs/dbraw/zinc/79/89/41/352798941.db2.gz YJOZAXOIGNIPOH-XRGYYRRGSA-N 1 1 183.280 1.294 10 0 ADAEMO CC1(CN2C[C@H]3CCC[C@@H]32)C[NH2+]C1 575584765 352799061 /nfs/dbraw/zinc/79/90/61/352799061.db2.gz QFWGKYWBEBAPGV-ZJUUUORDSA-N 1 1 180.295 1.080 10 0 ADAEMO C[C@H]1C[C@]1(C)c1cnc(C[NH3+])o1 575584859 352799189 /nfs/dbraw/zinc/79/91/89/352799189.db2.gz XVLOBAZNUUIHOD-RCOVLWMOSA-N 1 1 166.224 1.431 10 0 ADAEMO C[C@H]1C[C@]1(C)c1nnc(C[NH3+])s1 575584882 352799252 /nfs/dbraw/zinc/79/92/52/352799252.db2.gz YJOZAXOIGNIPOH-XNCJUZBTSA-N 1 1 183.280 1.294 10 0 ADAEMO C[C@@H]1C[C@]1(C)c1cnc(C[NH3+])o1 575584858 352799398 /nfs/dbraw/zinc/79/93/98/352799398.db2.gz XVLOBAZNUUIHOD-MUWHJKNJSA-N 1 1 166.224 1.431 10 0 ADAEMO C[C@@H]1C[C@@]1(C)c1nnc(C[NH3+])s1 575584881 352799425 /nfs/dbraw/zinc/79/94/25/352799425.db2.gz YJOZAXOIGNIPOH-SVGQVSJJSA-N 1 1 183.280 1.294 10 0 ADAEMO C[C@H]1C[N@H+](C2(CN)CCCC2)[C@H]1C 575584992 352800258 /nfs/dbraw/zinc/80/02/58/352800258.db2.gz RUWKKRYYGBDNJA-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1C[N@@H+](C2(CN)CCCC2)[C@@H]1C 575584991 352799788 /nfs/dbraw/zinc/79/97/88/352799788.db2.gz RUWKKRYYGBDNJA-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1C[N@H+](C2(CN)CCCC2)[C@@H]1C 575584991 352799791 /nfs/dbraw/zinc/79/97/91/352799791.db2.gz RUWKKRYYGBDNJA-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO NC1(C[N@@H+]2C[C@@H]3CCCC[C@H]32)CC1 575585042 352799871 /nfs/dbraw/zinc/79/98/71/352799871.db2.gz SYGCQJMFRUEZRN-VHSXEESVSA-N 1 1 180.295 1.352 10 0 ADAEMO NC1(C[N@H+]2C[C@@H]3CCCC[C@H]32)CC1 575585042 352799872 /nfs/dbraw/zinc/79/98/72/352799872.db2.gz SYGCQJMFRUEZRN-VHSXEESVSA-N 1 1 180.295 1.352 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1C1(CN)CCCC1 575584994 352800023 /nfs/dbraw/zinc/80/00/23/352800023.db2.gz RUWKKRYYGBDNJA-ZJUUUORDSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1C1(CN)CCCC1 575584994 352800026 /nfs/dbraw/zinc/80/00/26/352800026.db2.gz RUWKKRYYGBDNJA-ZJUUUORDSA-N 1 1 182.311 1.598 10 0 ADAEMO NC1(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CC1 575585041 352800122 /nfs/dbraw/zinc/80/01/22/352800122.db2.gz SYGCQJMFRUEZRN-UWVGGRQHSA-N 1 1 180.295 1.352 10 0 ADAEMO NC1(C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC1 575585041 352800123 /nfs/dbraw/zinc/80/01/23/352800123.db2.gz SYGCQJMFRUEZRN-UWVGGRQHSA-N 1 1 180.295 1.352 10 0 ADAEMO C[C@H]1C[N@@H+](C2(CN)CCCC2)[C@@H]1C 575584993 352800164 /nfs/dbraw/zinc/80/01/64/352800164.db2.gz RUWKKRYYGBDNJA-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1C[N@H+](C2(CN)CCCC2)[C@@H]1C 575584993 352800165 /nfs/dbraw/zinc/80/01/65/352800165.db2.gz RUWKKRYYGBDNJA-VHSXEESVSA-N 1 1 182.311 1.598 10 0 ADAEMO NC1(C[N@@H+]2C[C@H]3CCCC[C@H]32)CC1 575585040 352800205 /nfs/dbraw/zinc/80/02/05/352800205.db2.gz SYGCQJMFRUEZRN-NXEZZACHSA-N 1 1 180.295 1.352 10 0 ADAEMO NC1(C[N@H+]2C[C@H]3CCCC[C@H]32)CC1 575585040 352800208 /nfs/dbraw/zinc/80/02/08/352800208.db2.gz SYGCQJMFRUEZRN-NXEZZACHSA-N 1 1 180.295 1.352 10 0 ADAEMO C[C@H]1C[N@@H+](C2(CN)CCCC2)[C@H]1C 575584992 352800255 /nfs/dbraw/zinc/80/02/55/352800255.db2.gz RUWKKRYYGBDNJA-UWVGGRQHSA-N 1 1 182.311 1.598 10 0 ADAEMO NC1(C[N@@H+]2C[C@H]3CCCC[C@@H]32)CC1 575585043 352800274 /nfs/dbraw/zinc/80/02/74/352800274.db2.gz SYGCQJMFRUEZRN-ZJUUUORDSA-N 1 1 180.295 1.352 10 0 ADAEMO NC1(C[N@H+]2C[C@H]3CCCC[C@@H]32)CC1 575585043 352800277 /nfs/dbraw/zinc/80/02/77/352800277.db2.gz SYGCQJMFRUEZRN-ZJUUUORDSA-N 1 1 180.295 1.352 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@@H+]1[C@@]1(C)C[C@H]1C 575585142 352800673 /nfs/dbraw/zinc/80/06/73/352800673.db2.gz BDXJCISVJDDSEZ-KKZNHRDASA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@H]1C[C@@]1(C)[N@H+]1CCC(=O)[C@H](C)C1 575585189 352800735 /nfs/dbraw/zinc/80/07/35/352800735.db2.gz CARVIFAAUBKITD-WCABBAIRSA-N 1 1 181.279 1.696 10 0 ADAEMO C[C@@H]1CC(=O)CC[N@@H+]1[C@]1(C)C[C@H]1C 575585139 352800754 /nfs/dbraw/zinc/80/07/54/352800754.db2.gz BDXJCISVJDDSEZ-FXPVBKGRSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@H]1C[C@]1(C)[N@H+]1CCC(=O)C[C@H]1C 575585144 352800778 /nfs/dbraw/zinc/80/07/78/352800778.db2.gz BDXJCISVJDDSEZ-NGZCFLSTSA-N 1 1 181.279 1.838 10 0 ADAEMO C[C@H]1C[C@]1(C)[N@H+]1CCC(=O)[C@H](C)C1 575585190 352800803 /nfs/dbraw/zinc/80/08/03/352800803.db2.gz CARVIFAAUBKITD-YWVKMMECSA-N 1 1 181.279 1.696 10 0 ADAEMO C[C@@H]1C[N@@H+](CC2([NH3+])CCCC2)[C@@H]1C 575585057 352800883 /nfs/dbraw/zinc/80/08/83/352800883.db2.gz UBBFTMBKQVYNJF-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@@H]1CN(CC2([NH3+])CCCC2)[C@@H]1C 575585057 352800885 /nfs/dbraw/zinc/80/08/85/352800885.db2.gz UBBFTMBKQVYNJF-NXEZZACHSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1C[C@@]1(C)[N@H+]1CCC(=O)C[C@H]1C 575585141 352800942 /nfs/dbraw/zinc/80/09/42/352800942.db2.gz BDXJCISVJDDSEZ-IQJOONFLSA-N 1 1 181.279 1.838 10 0 ADAEMO CC[C@@H]([NH3+])C[N@@H+]1CCC1(C)C 575585079 352800989 /nfs/dbraw/zinc/80/09/89/352800989.db2.gz UGFKVVHQFKGYHG-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@]2(C)C[C@H]2C)CCC1=O 575585186 352801031 /nfs/dbraw/zinc/80/10/31/352801031.db2.gz CARVIFAAUBKITD-FXPVBKGRSA-N 1 1 181.279 1.696 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1CC1([NH3+])CCCC1 575585060 352801063 /nfs/dbraw/zinc/80/10/63/352801063.db2.gz UBBFTMBKQVYNJF-ZJUUUORDSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]1[C@H](C)CN1CC1([NH3+])CCCC1 575585060 352801066 /nfs/dbraw/zinc/80/10/66/352801066.db2.gz 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IKUOAHPZYAXLJH-KXUCPTDWSA-N 1 1 180.295 1.208 10 0 ADAEMO C[C@@H]1[C@H](N)CC[N@H+]1C[C@@H]1CC12CC2 575594435 352849773 /nfs/dbraw/zinc/84/97/73/352849773.db2.gz IKUOAHPZYAXLJH-KXUCPTDWSA-N 1 1 180.295 1.208 10 0 ADAEMO C[C@H]1C[N@H+](C[C@H]2C[C@H]2C)C[C@@H](C)N1 575594380 352849825 /nfs/dbraw/zinc/84/98/25/352849825.db2.gz GULMXBVANKHHOH-CHWFTXMASA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@H]1CN(C[C@H]2C[C@H]2C)C[C@@H](C)[NH2+]1 575594380 352849827 /nfs/dbraw/zinc/84/98/27/352849827.db2.gz GULMXBVANKHHOH-CHWFTXMASA-N 1 1 182.311 1.325 10 0 ADAEMO CC1(C)CC[N@H+]1[C@@H]1CCNC[C@H]1F 575594371 352849858 /nfs/dbraw/zinc/84/98/58/352849858.db2.gz GQVNIXDOSZIWIP-RKDXNWHRSA-N 1 1 186.274 1.171 10 0 ADAEMO CC1(C)CCN1[C@@H]1CC[NH2+]C[C@H]1F 575594371 352849859 /nfs/dbraw/zinc/84/98/59/352849859.db2.gz GQVNIXDOSZIWIP-RKDXNWHRSA-N 1 1 186.274 1.171 10 0 ADAEMO CC(C)[N@H+]1CC(C)(C)CC[C@@H]1CN 575594804 352850715 /nfs/dbraw/zinc/85/07/15/352850715.db2.gz NMMACEPPDHQLJB-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@H]1CC[N@H+]1Cc1ncccc1N 575594662 352850630 /nfs/dbraw/zinc/85/06/30/352850630.db2.gz LGCBVHMIODHMOS-QMMMGPOBSA-N 1 1 177.251 1.258 10 0 ADAEMO C[C@H]1CC[C@H](C)[NH+]1C1CC(N)C1 575594783 352850662 /nfs/dbraw/zinc/85/06/62/352850662.db2.gz NHYWSKMLHQMJBA-DKEVHCRPSA-N 1 1 168.284 1.349 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1ncccc1N 575594661 352850674 /nfs/dbraw/zinc/85/06/74/352850674.db2.gz LGCBVHMIODHMOS-MRVPVSSYSA-N 1 1 177.251 1.258 10 0 ADAEMO CC(C)N1CC(C)(C)CC[C@@H]1C[NH3+] 575594804 352850717 /nfs/dbraw/zinc/85/07/17/352850717.db2.gz NMMACEPPDHQLJB-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)[N@H+]1CC(C)(C)CC[C@H]1CN 575594803 352850822 /nfs/dbraw/zinc/85/08/22/352850822.db2.gz NMMACEPPDHQLJB-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)N1CC(C)(C)CC[C@H]1C[NH3+] 575594803 352850823 /nfs/dbraw/zinc/85/08/23/352850823.db2.gz NMMACEPPDHQLJB-JTQLQIEISA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H]1CC[C@@H](C)[NH+]1C1CC(N)C1 575594784 352850827 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OMGJBQGYJSCLPC-HBNTYKKESA-N 1 1 180.295 1.223 10 0 ADAEMO C1CC[C@@H]2[C@@H](C1)CN2[C@@H]1CC[NH2+]C1 575594891 352851344 /nfs/dbraw/zinc/85/13/44/352851344.db2.gz OEJCZDJOEJPZFG-HBNTYKKESA-N 1 1 180.295 1.223 10 0 ADAEMO C1CC[C@@H]2[C@@H](C1)CN2[C@H]1CC[NH2+]C1 575594889 352851316 /nfs/dbraw/zinc/85/13/16/352851316.db2.gz OEJCZDJOEJPZFG-GARJFASQSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@H]2CN([C@@H]3CCC[NH2+]C3)[C@H]2C1 575594905 352851352 /nfs/dbraw/zinc/85/13/52/352851352.db2.gz OMGJBQGYJSCLPC-AXFHLTTASA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@H]2C[N@@H+]([C@@H]3CCCNC3)[C@H]2C1 575594905 352851355 /nfs/dbraw/zinc/85/13/55/352851355.db2.gz OMGJBQGYJSCLPC-AXFHLTTASA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[C@H]2C[N@H+]([C@@H]3CCCNC3)[C@H]2C1 575594905 352851357 /nfs/dbraw/zinc/85/13/57/352851357.db2.gz OMGJBQGYJSCLPC-AXFHLTTASA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](N)C1 575594835 352851361 /nfs/dbraw/zinc/85/13/61/352851361.db2.gz NYUMXLRNHGYLCE-RCWTZXSCSA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@H]1C[C@H]1CN1CC[C@@H](C)[C@@H]([NH3+])C1 575594835 352851364 /nfs/dbraw/zinc/85/13/64/352851364.db2.gz NYUMXLRNHGYLCE-RCWTZXSCSA-N 1 1 182.311 1.312 10 0 ADAEMO C1CC[C@@H]2[C@H](C1)CN2[C@H]1CC[NH2+]C1 575594892 352851383 /nfs/dbraw/zinc/85/13/83/352851383.db2.gz OEJCZDJOEJPZFG-OUAUKWLOSA-N 1 1 180.295 1.223 10 0 ADAEMO C1C[NH2+]C[C@H](N2C[C@H]3CCC[C@H]32)C1 575594906 352851401 /nfs/dbraw/zinc/85/14/01/352851401.db2.gz OMGJBQGYJSCLPC-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CNC[C@H]([N@@H+]2C[C@H]3CCC[C@H]32)C1 575594906 352851403 /nfs/dbraw/zinc/85/14/03/352851403.db2.gz OMGJBQGYJSCLPC-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CNC[C@H]([N@H+]2C[C@H]3CCC[C@H]32)C1 575594906 352851406 /nfs/dbraw/zinc/85/14/06/352851406.db2.gz OMGJBQGYJSCLPC-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C[C@H]1N 575594831 352851539 /nfs/dbraw/zinc/85/15/39/352851539.db2.gz NYUMXLRNHGYLCE-CHWFTXMASA-N 1 1 182.311 1.312 10 0 ADAEMO 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ODPSUZXEJHGRAD-UHFFFAOYSA-N 1 1 182.311 1.742 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@](C)(N)C1 575594954 352851783 /nfs/dbraw/zinc/85/17/83/352851783.db2.gz PSUSPGBYBRZMRM-OPRDCNLKSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@](C)(N)C1 575594954 352851786 /nfs/dbraw/zinc/85/17/86/352851786.db2.gz PSUSPGBYBRZMRM-OPRDCNLKSA-N 1 1 168.284 1.066 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C)[C@@H](N)C1 575594832 352851821 /nfs/dbraw/zinc/85/18/21/352851821.db2.gz NYUMXLRNHGYLCE-DBIOUOCHSA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@@H]1C[C@@H]1CN1CC[C@@H](C)[C@@H]([NH3+])C1 575594832 352851825 /nfs/dbraw/zinc/85/18/25/352851825.db2.gz NYUMXLRNHGYLCE-DBIOUOCHSA-N 1 1 182.311 1.312 10 0 ADAEMO C1CC[C@@H]2[C@H](C1)CN2[C@@H]1CC[NH2+]C1 575594890 352851850 /nfs/dbraw/zinc/85/18/50/352851850.db2.gz OEJCZDJOEJPZFG-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO NC1(C[N@@H+]2CCC23CCCC3)CC1 575594985 352852442 /nfs/dbraw/zinc/85/24/42/352852442.db2.gz QPOQGRMMVSFFOW-UHFFFAOYSA-N 1 1 180.295 1.496 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] 575595019 352852262 /nfs/dbraw/zinc/85/22/62/352852262.db2.gz RTWPHCLIBLTJJN-UTINFBMNSA-N 1 1 168.284 1.206 10 0 ADAEMO C[C@H]1[C@H](C)CN1[C@@H]1CCC[C@H]1[NH3+] 575595019 352852266 /nfs/dbraw/zinc/85/22/66/352852266.db2.gz RTWPHCLIBLTJJN-UTINFBMNSA-N 1 1 168.284 1.206 10 0 ADAEMO C[C@@H](N)C[N@@H+]1CCC12CCCC2 575595066 352852280 /nfs/dbraw/zinc/85/22/80/352852280.db2.gz TXFQPMXJZOSCIP-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@@H](N)C[N@H+]1CCC12CCCC2 575595066 352852283 /nfs/dbraw/zinc/85/22/83/352852283.db2.gz TXFQPMXJZOSCIP-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO C[C@@H]([NH3+])CN1CCC12CCCC2 575595066 352852286 /nfs/dbraw/zinc/85/22/86/352852286.db2.gz TXFQPMXJZOSCIP-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO CC[N@H+]1CC(C)(C)CC[C@@H]1CN 575595068 352852392 /nfs/dbraw/zinc/85/23/92/352852392.db2.gz TZBBMDLFRXBXMI-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCN1CC(C)(C)CC[C@@H]1C[NH3+] 575595068 352852395 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YXHZMTBDBQEWCO-NXEZZACHSA-N 1 1 180.295 1.210 10 0 ADAEMO C[C@@]1(N)CC[N@@H+](C[C@H]2CC23CC3)C1 575595250 352854889 /nfs/dbraw/zinc/85/48/89/352854889.db2.gz YXHZMTBDBQEWCO-NXEZZACHSA-N 1 1 180.295 1.210 10 0 ADAEMO C[C@H]([NH3+])[C@@H](C)N1CCC12CCC2 575595381 352855108 /nfs/dbraw/zinc/85/51/08/352855108.db2.gz GJGCTACHNYNXRQ-DTWKUNHWSA-N 1 1 168.284 1.351 10 0 ADAEMO C1CC[C@@H]2C[N@@H+](C3CNC3)[C@@H]2CC1 575595400 352855138 /nfs/dbraw/zinc/85/51/38/352855138.db2.gz GZUITMYZCPKUNE-MWLCHTKSSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CC[C@@H]2C[N@H+](C3CNC3)[C@@H]2CC1 575595400 352855140 /nfs/dbraw/zinc/85/51/40/352855140.db2.gz GZUITMYZCPKUNE-MWLCHTKSSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@H](CN)[N@H+]1C[C@H]2CCCCC[C@@H]21 575595455 352855218 /nfs/dbraw/zinc/85/52/18/352855218.db2.gz JXISRVGPZNNHEO-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](C[NH3+])N1C[C@H]2CCCCC[C@@H]21 575595455 352855228 /nfs/dbraw/zinc/85/52/28/352855228.db2.gz JXISRVGPZNNHEO-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H]([NH3+])[C@H](C)N1CCC12CCC2 575595382 352855266 /nfs/dbraw/zinc/85/52/66/352855266.db2.gz GJGCTACHNYNXRQ-IUCAKERBSA-N 1 1 168.284 1.351 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C)N1CCC12CCC2 575595383 352855355 /nfs/dbraw/zinc/85/53/55/352855355.db2.gz GJGCTACHNYNXRQ-RKDXNWHRSA-N 1 1 168.284 1.351 10 0 ADAEMO C1CC[C@H]2C[N@@H+](C3CNC3)[C@H]2CC1 575595401 352855470 /nfs/dbraw/zinc/85/54/70/352855470.db2.gz GZUITMYZCPKUNE-ONGXEEELSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@H](C[NH3+])N1C[C@H]2CCCCC[C@H]21 575595454 352855524 /nfs/dbraw/zinc/85/55/24/352855524.db2.gz JXISRVGPZNNHEO-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO C1CC[C@H]2C[N@@H+](C3CNC3)[C@@H]2CC1 575595398 352855398 /nfs/dbraw/zinc/85/53/98/352855398.db2.gz GZUITMYZCPKUNE-GXSJLCMTSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CC[C@H]2C[N@H+](C3CNC3)[C@@H]2CC1 575595398 352855401 /nfs/dbraw/zinc/85/54/01/352855401.db2.gz GZUITMYZCPKUNE-GXSJLCMTSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@H](CN)[N@H+]1C[C@@H]2CCCCC[C@H]21 575595456 352855448 /nfs/dbraw/zinc/85/54/48/352855448.db2.gz JXISRVGPZNNHEO-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](C[NH3+])N1C[C@@H]2CCCCC[C@H]21 575595456 352855454 /nfs/dbraw/zinc/85/54/54/352855454.db2.gz JXISRVGPZNNHEO-OUAUKWLOSA-N 1 1 182.311 1.598 10 0 ADAEMO C1CC[C@H]2C[N@H+](C3CNC3)[C@H]2CC1 575595401 352855472 /nfs/dbraw/zinc/85/54/72/352855472.db2.gz GZUITMYZCPKUNE-ONGXEEELSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CC[C@H]2[C@H](CC1)C[N@H+]2C1CNC1 575595399 352855500 /nfs/dbraw/zinc/85/55/00/352855500.db2.gz GZUITMYZCPKUNE-KOLCDFICSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CC[C@H]2[C@H](CC1)C[N@@H+]2C1CNC1 575595399 352855501 /nfs/dbraw/zinc/85/55/01/352855501.db2.gz GZUITMYZCPKUNE-KOLCDFICSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@H](CN)[N@H+]1C[C@H]2CCCCC[C@H]21 575595454 352855520 /nfs/dbraw/zinc/85/55/20/352855520.db2.gz JXISRVGPZNNHEO-GMTAPVOTSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](CN)[N@H+]1C[C@@H]2CCCCC[C@@H]21 575595457 352855546 /nfs/dbraw/zinc/85/55/46/352855546.db2.gz JXISRVGPZNNHEO-VWYCJHECSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](C[NH3+])N1C[C@@H]2CCCCC[C@@H]21 575595457 352855550 /nfs/dbraw/zinc/85/55/50/352855550.db2.gz JXISRVGPZNNHEO-VWYCJHECSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(=O)[C@@H](C)[N@H+]1CCC12CCCC2 575595638 352855993 /nfs/dbraw/zinc/85/59/93/352855993.db2.gz PVYIXRNDPREOOX-SECBINFHSA-N 1 1 181.279 1.982 10 0 ADAEMO C[C@H](N)[C@H](C)[N@H+]1CCC12CCCC2 575595843 352857036 /nfs/dbraw/zinc/85/70/36/352857036.db2.gz XCAACFCZQHZDIL-UWVGGRQHSA-N 1 1 182.311 1.741 10 0 ADAEMO CC(=O)[C@H](C)[N@H+]1CCC12CCCC2 575595639 352856363 /nfs/dbraw/zinc/85/63/63/352856363.db2.gz PVYIXRNDPREOOX-VIFPVBQESA-N 1 1 181.279 1.982 10 0 ADAEMO NC1CC([N@@H+]2CCC[C@H]2C2CC2)C1 575595828 352856596 /nfs/dbraw/zinc/85/65/96/352856596.db2.gz WQSPFNVXTJUWHW-ILDUYXDCSA-N 1 1 180.295 1.351 10 0 ADAEMO NC1CC([N@H+]2CCC[C@H]2C2CC2)C1 575595828 352856597 /nfs/dbraw/zinc/85/65/97/352856597.db2.gz WQSPFNVXTJUWHW-ILDUYXDCSA-N 1 1 180.295 1.351 10 0 ADAEMO C[C@@H](N)[C@@H](C)[N@@H+]1CCC12CCCC2 575595842 352856611 /nfs/dbraw/zinc/85/66/11/352856611.db2.gz XCAACFCZQHZDIL-NXEZZACHSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H](N)[C@@H](C)[N@H+]1CCC12CCCC2 575595842 352856613 /nfs/dbraw/zinc/85/66/13/352856613.db2.gz XCAACFCZQHZDIL-NXEZZACHSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@@H+]1CCC12CCCC2 575595846 352856686 /nfs/dbraw/zinc/85/66/86/352856686.db2.gz XCAACFCZQHZDIL-VHSXEESVSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@H](N)[C@@H](C)[N@H+]1CCC12CCCC2 575595846 352856690 /nfs/dbraw/zinc/85/66/90/352856690.db2.gz XCAACFCZQHZDIL-VHSXEESVSA-N 1 1 182.311 1.741 10 0 ADAEMO NC1(C[NH+]2CCC3(CC2)CC3)CC1 575595722 352856765 /nfs/dbraw/zinc/85/67/65/352856765.db2.gz URGHJEJVUKKMFF-UHFFFAOYSA-N 1 1 180.295 1.354 10 0 ADAEMO C[C@@H]([C@@H](C)N)[N@@H+]1CCC12CCCC2 575595847 352856823 /nfs/dbraw/zinc/85/68/23/352856823.db2.gz XCAACFCZQHZDIL-ZJUUUORDSA-N 1 1 182.311 1.741 10 0 ADAEMO C[C@@H]([C@@H](C)N)[N@H+]1CCC12CCCC2 575595847 352856825 /nfs/dbraw/zinc/85/68/25/352856825.db2.gz XCAACFCZQHZDIL-ZJUUUORDSA-N 1 1 182.311 1.741 10 0 ADAEMO NC1CC([N@@H+]2CCC[C@@H]2C2CC2)C1 575595829 352856854 /nfs/dbraw/zinc/85/68/54/352856854.db2.gz WQSPFNVXTJUWHW-VQXHTEKXSA-N 1 1 180.295 1.351 10 0 ADAEMO NC1CC([N@H+]2CCC[C@@H]2C2CC2)C1 575595829 352856859 /nfs/dbraw/zinc/85/68/59/352856859.db2.gz WQSPFNVXTJUWHW-VQXHTEKXSA-N 1 1 180.295 1.351 10 0 ADAEMO C[C@H](N)[C@H](C)[N@@H+]1CCC12CCCC2 575595843 352857034 /nfs/dbraw/zinc/85/70/34/352857034.db2.gz XCAACFCZQHZDIL-UWVGGRQHSA-N 1 1 182.311 1.741 10 0 ADAEMO Cc1[nH+]ccn1-c1ccnc(F)n1 575595999 352857564 /nfs/dbraw/zinc/85/75/64/352857564.db2.gz MHSHDZMDHMIVRQ-UHFFFAOYSA-N 1 1 178.170 1.110 10 0 ADAEMO Cc1[nH+]ccn1-c1cncc(F)n1 575599890 352862869 /nfs/dbraw/zinc/86/28/69/352862869.db2.gz XKKXNECQAYHLCG-UHFFFAOYSA-N 1 1 178.170 1.110 10 0 ADAEMO CNNc1cccc(Cl)[nH+]1 575600082 352863519 /nfs/dbraw/zinc/86/35/19/352863519.db2.gz GJUQLYLEFZJYDK-UHFFFAOYSA-N 1 1 157.604 1.281 10 0 ADAEMO Cc1cc(C=O)c(N)[nH+]c1C 575601308 352864381 /nfs/dbraw/zinc/86/43/81/352864381.db2.gz YKZRRLFLBUUGKJ-UHFFFAOYSA-N 1 1 150.181 1.093 10 0 ADAEMO COC(=O)[C@@H]([NH3+])C(C)(C)C(C)(C)C 575602021 352865342 /nfs/dbraw/zinc/86/53/42/352865342.db2.gz GXXFWTXODIRQLX-SSDOTTSWSA-N 1 1 187.283 1.559 10 0 ADAEMO COC(=O)[C@H]([NH3+])C(C)(C)C(C)(C)C 575602026 352865369 /nfs/dbraw/zinc/86/53/69/352865369.db2.gz GXXFWTXODIRQLX-ZETCQYMHSA-N 1 1 187.283 1.559 10 0 ADAEMO CCCC[N@H+]1CCCC[C@@H]1CC(N)=O 590294688 352912422 /nfs/dbraw/zinc/91/24/22/352912422.db2.gz NDPDGJREFCJSJK-SNVBAGLBSA-N 1 1 198.310 1.516 10 0 ADAEMO C[N@@H+](Cc1ccno1)C[C@H]1CCCO1 590295095 352912490 /nfs/dbraw/zinc/91/24/90/352912490.db2.gz OYFYAEGTJMIAOG-SECBINFHSA-N 1 1 196.250 1.285 10 0 ADAEMO C[N@H+](Cc1ccno1)C[C@H]1CCCO1 590295095 352912493 /nfs/dbraw/zinc/91/24/93/352912493.db2.gz OYFYAEGTJMIAOG-SECBINFHSA-N 1 1 196.250 1.285 10 0 ADAEMO CCCC[N@H+]1CCCC[C@H]1CC(N)=O 590294686 352912780 /nfs/dbraw/zinc/91/27/80/352912780.db2.gz NDPDGJREFCJSJK-JTQLQIEISA-N 1 1 198.310 1.516 10 0 ADAEMO C[N@@H+](Cc1ccno1)C[C@@H]1CCCO1 590295096 352912823 /nfs/dbraw/zinc/91/28/23/352912823.db2.gz OYFYAEGTJMIAOG-VIFPVBQESA-N 1 1 196.250 1.285 10 0 ADAEMO C[N@H+](Cc1ccno1)C[C@@H]1CCCO1 590295096 352912825 /nfs/dbraw/zinc/91/28/25/352912825.db2.gz OYFYAEGTJMIAOG-VIFPVBQESA-N 1 1 196.250 1.285 10 0 ADAEMO CCSCC[NH2+]CC(C)(F)F 590374801 352913627 /nfs/dbraw/zinc/91/36/27/352913627.db2.gz CFPOBPRWCOASHC-UHFFFAOYSA-N 1 1 183.267 1.984 10 0 ADAEMO CCOC1C[NH+](CCSCC)C1 590967459 352915393 /nfs/dbraw/zinc/91/53/93/352915393.db2.gz LQEQLCXCDAMLAB-UHFFFAOYSA-N 1 1 189.324 1.460 10 0 ADAEMO CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 591419468 352916045 /nfs/dbraw/zinc/91/60/45/352916045.db2.gz ADGZTBPLRBXWMH-ZJUUUORDSA-N 1 1 198.310 1.243 10 0 ADAEMO CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 591419465 352916090 /nfs/dbraw/zinc/91/60/90/352916090.db2.gz ADGZTBPLRBXWMH-NXEZZACHSA-N 1 1 198.310 1.243 10 0 ADAEMO CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 591419466 352916136 /nfs/dbraw/zinc/91/61/36/352916136.db2.gz ADGZTBPLRBXWMH-UWVGGRQHSA-N 1 1 198.310 1.243 10 0 ADAEMO CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 591419467 352916146 /nfs/dbraw/zinc/91/61/46/352916146.db2.gz ADGZTBPLRBXWMH-VHSXEESVSA-N 1 1 198.310 1.243 10 0 ADAEMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC2CC2)C1 595848194 352922632 /nfs/dbraw/zinc/92/26/32/352922632.db2.gz FFTNMQXTZJHKGV-AOOOYVTPSA-N 1 1 197.278 1.280 10 0 ADAEMO CCC[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 595848834 352922700 /nfs/dbraw/zinc/92/27/00/352922700.db2.gz RVXAQNHMPSIWGI-DTORHVGOSA-N 1 1 185.267 1.280 10 0 ADAEMO CCCC[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 595847328 352922930 /nfs/dbraw/zinc/92/29/30/352922930.db2.gz FKCGQPMXMNFSBJ-AOOOYVTPSA-N 1 1 199.294 1.670 10 0 ADAEMO CC[N@@H+](CCOCC1CC1)C1CC1 607726365 352926503 /nfs/dbraw/zinc/92/65/03/352926503.db2.gz FWGYVQDJBZDKDC-UHFFFAOYSA-N 1 1 183.295 1.897 10 0 ADAEMO C[C@H]1C[N@H+](CCOCC2CC2)CCO1 607725895 352926623 /nfs/dbraw/zinc/92/66/23/352926623.db2.gz APEVHDVBBMGUKM-JTQLQIEISA-N 1 1 199.294 1.134 10 0 ADAEMO C[C@H]1C[N@@H+](CCOCC2CC2)CCO1 607725895 352926626 /nfs/dbraw/zinc/92/66/26/352926626.db2.gz APEVHDVBBMGUKM-JTQLQIEISA-N 1 1 199.294 1.134 10 0 ADAEMO C[C@@H]1C[N@H+](CCOCC2CC2)CCO1 607725896 352926730 /nfs/dbraw/zinc/92/67/30/352926730.db2.gz APEVHDVBBMGUKM-SNVBAGLBSA-N 1 1 199.294 1.134 10 0 ADAEMO C[C@@H]1C[N@@H+](CCOCC2CC2)CCO1 607725896 352926733 /nfs/dbraw/zinc/92/67/33/352926733.db2.gz APEVHDVBBMGUKM-SNVBAGLBSA-N 1 1 199.294 1.134 10 0 ADAEMO CCOC(=O)CC[C@H]1CCCC[N@H+]1C 611109937 352927693 /nfs/dbraw/zinc/92/76/93/352927693.db2.gz YYLDEIQFFVCICV-SNVBAGLBSA-N 1 1 199.294 1.814 10 0 ADAEMO CCOC(=O)CC[C@@H]1CCCC[N@H+]1C 611109936 352927768 /nfs/dbraw/zinc/92/77/68/352927768.db2.gz YYLDEIQFFVCICV-JTQLQIEISA-N 1 1 199.294 1.814 10 0 ADAEMO CC[N@@H+](C)Cc1c[nH]c(C(=O)OC)c1 611253795 352928653 /nfs/dbraw/zinc/92/86/53/352928653.db2.gz RTCWEURFYNMTCM-UHFFFAOYSA-N 1 1 196.250 1.253 10 0 ADAEMO CNc1ccccc1[C@H]1COCC[NH2+]1 616638860 352931824 /nfs/dbraw/zinc/93/18/24/352931824.db2.gz MFSBQUPVTMYYQK-LLVKDONJSA-N 1 1 192.262 1.389 10 0 ADAEMO CC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@H](C1)N2 643064278 352935730 /nfs/dbraw/zinc/93/57/30/352935730.db2.gz NPUGVGKDHDABQR-MXWKQRLJSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H](C1)N2 643064277 352935810 /nfs/dbraw/zinc/93/58/10/352935810.db2.gz NPUGVGKDHDABQR-GARJFASQSA-N 1 1 182.311 1.611 10 0 ADAEMO CC[C@@H](C)[N@@H+]1CC[C@H](N)[C@@H]1C 643075356 352936480 /nfs/dbraw/zinc/93/64/80/352936480.db2.gz BQAVEIYSGMHPAG-VGMNWLOBSA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@@H](C)[N@H+]1CC[C@H](N)[C@@H]1C 643075356 352936484 /nfs/dbraw/zinc/93/64/84/352936484.db2.gz BQAVEIYSGMHPAG-VGMNWLOBSA-N 1 1 156.273 1.206 10 0 ADAEMO CCC(C)(C)CC[N@H+](C)CCN 643081351 352937916 /nfs/dbraw/zinc/93/79/16/352937916.db2.gz NDJOQCYIPVXCOD-UHFFFAOYSA-N 1 1 172.316 1.703 10 0 ADAEMO CCC(C)(C)CC[N@@H+](C)CCN 643081351 352937919 /nfs/dbraw/zinc/93/79/19/352937919.db2.gz 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/nfs/dbraw/zinc/96/42/73/352964273.db2.gz LKARLJROTPWRPU-YTWAJWBKSA-N 1 1 182.311 1.515 10 0 ADAEMO CC[C@H](N[C@@H]1CC[C@H]1C)[C@@H]1CCC[NH2+]1 643489073 352964312 /nfs/dbraw/zinc/96/43/12/352964312.db2.gz OYHLLROBYSYQAW-KXNHARMFSA-N 1 1 196.338 1.905 10 0 ADAEMO CC[C@H](N[C@H]1CC[C@H]1C)[C@@H]1CCC[NH2+]1 643489074 352964368 /nfs/dbraw/zinc/96/43/68/352964368.db2.gz OYHLLROBYSYQAW-RHYQMDGZSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@H](N[C@@H]1CC[C@H]1C)[C@H]1CCC[NH2+]1 643489045 352964469 /nfs/dbraw/zinc/96/44/69/352964469.db2.gz LKARLJROTPWRPU-LMLFDSFASA-N 1 1 182.311 1.515 10 0 ADAEMO C[C@@H](F)CCN[C@H](C)[C@@H]1CCC[NH2+]1 643490996 352964530 /nfs/dbraw/zinc/96/45/30/352964530.db2.gz KKUZGUZIXUMDFA-BBBLOLIVSA-N 1 1 188.290 1.465 10 0 ADAEMO CC[C@H](N[C@@H]1CC[C@@H]1C)[C@@H]1CCC[NH2+]1 643489075 352964722 /nfs/dbraw/zinc/96/47/22/352964722.db2.gz OYHLLROBYSYQAW-YFKTTZPYSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@H](F)CCN[C@H](C)[C@@H]1CCC[NH2+]1 643490995 352964795 /nfs/dbraw/zinc/96/47/95/352964795.db2.gz KKUZGUZIXUMDFA-AEJSXWLSSA-N 1 1 188.290 1.465 10 0 ADAEMO C[C@H](F)CCN[C@@H](C)[C@H]1CCC[NH2+]1 643491000 352965216 /nfs/dbraw/zinc/96/52/16/352965216.db2.gz KKUZGUZIXUMDFA-LPEHRKFASA-N 1 1 188.290 1.465 10 0 ADAEMO C[C@@H]([NH2+][C@@H]1CCC[C@H]1N)C1CC1 643491958 352965319 /nfs/dbraw/zinc/96/53/19/352965319.db2.gz GKNHGROJZPRTRX-SZEHBUNVSA-N 1 1 168.284 1.254 10 0 ADAEMO C[C@H](F)CCN[C@@H]1C[NH2+]CC[C@@H]1C 643491015 352965344 /nfs/dbraw/zinc/96/53/44/352965344.db2.gz NUKGCWMWGDVOOU-LPEHRKFASA-N 1 1 188.290 1.322 10 0 ADAEMO C[C@H](NCC[C@@H](C)F)[C@H]1CCC[NH2+]1 643490999 352965353 /nfs/dbraw/zinc/96/53/53/352965353.db2.gz KKUZGUZIXUMDFA-KXUCPTDWSA-N 1 1 188.290 1.465 10 0 ADAEMO C[C@H](F)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 643490997 352965398 /nfs/dbraw/zinc/96/53/98/352965398.db2.gz KKUZGUZIXUMDFA-GUBZILKMSA-N 1 1 188.290 1.465 10 0 ADAEMO C[C@H](F)CCN[C@H](C)[C@H]1CCC[NH2+]1 643490998 352965408 /nfs/dbraw/zinc/96/54/08/352965408.db2.gz KKUZGUZIXUMDFA-IVZWLZJFSA-N 1 1 188.290 1.465 10 0 ADAEMO C[C@@H]([NH2+][C@H]1CCC[C@H]1N)C1CC1 643491957 352965422 /nfs/dbraw/zinc/96/54/22/352965422.db2.gz GKNHGROJZPRTRX-QNSHHTMESA-N 1 1 168.284 1.254 10 0 ADAEMO C[C@H](F)CCN[C@H]1C[NH2+]CC[C@@H]1C 643491013 352965478 /nfs/dbraw/zinc/96/54/78/352965478.db2.gz NUKGCWMWGDVOOU-GUBZILKMSA-N 1 1 188.290 1.322 10 0 ADAEMO C[C@H](F)CCN[C@H]1C[NH2+]CC[C@H]1C 643491016 352965583 /nfs/dbraw/zinc/96/55/83/352965583.db2.gz NUKGCWMWGDVOOU-UTLUCORTSA-N 1 1 188.290 1.322 10 0 ADAEMO C[C@H](F)CCN[C@@H]1C[NH2+]CC[C@H]1C 643491014 352965608 /nfs/dbraw/zinc/96/56/08/352965608.db2.gz NUKGCWMWGDVOOU-KXUCPTDWSA-N 1 1 188.290 1.322 10 0 ADAEMO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1N)C1CC1 643491953 352965622 /nfs/dbraw/zinc/96/56/22/352965622.db2.gz GKNHGROJZPRTRX-FKTZTGRPSA-N 1 1 168.284 1.254 10 0 ADAEMO C[C@@H](F)CCN[C@H](C)[C@H]1CCC[NH2+]1 643491001 352965626 /nfs/dbraw/zinc/96/56/26/352965626.db2.gz KKUZGUZIXUMDFA-OPRDCNLKSA-N 1 1 188.290 1.465 10 0 ADAEMO C[C@H](NCC[C@@H](C)F)[C@@H]1CCC[NH2+]1 643491002 352965631 /nfs/dbraw/zinc/96/56/31/352965631.db2.gz KKUZGUZIXUMDFA-UTLUCORTSA-N 1 1 188.290 1.465 10 0 ADAEMO C[C@@H]([NH2+][C@H]1CCC[C@@H]1N)C1CC1 643491956 352965633 /nfs/dbraw/zinc/96/56/33/352965633.db2.gz GKNHGROJZPRTRX-JEZHCXPESA-N 1 1 168.284 1.254 10 0 ADAEMO N[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 643493581 352967111 /nfs/dbraw/zinc/96/71/11/352967111.db2.gz LGLFCLKTKIBQGL-BJDJZHNGSA-N 1 1 194.322 1.502 10 0 ADAEMO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 643493583 352967358 /nfs/dbraw/zinc/96/73/58/352967358.db2.gz LGLFCLKTKIBQGL-NNYUYHANSA-N 1 1 194.322 1.502 10 0 ADAEMO N[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 643493582 352967601 /nfs/dbraw/zinc/96/76/01/352967601.db2.gz LGLFCLKTKIBQGL-FIQHERPVSA-N 1 1 194.322 1.502 10 0 ADAEMO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 643493584 352967604 /nfs/dbraw/zinc/96/76/04/352967604.db2.gz LGLFCLKTKIBQGL-YFKTTZPYSA-N 1 1 194.322 1.502 10 0 ADAEMO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H]1N 643494473 352967865 /nfs/dbraw/zinc/96/78/65/352967865.db2.gz HEOQNAYJIZQXPK-NOOOWODRSA-N 1 1 196.338 1.890 10 0 ADAEMO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2N)O1 643494131 352967910 /nfs/dbraw/zinc/96/79/10/352967910.db2.gz HFQWYHDRPCDTRG-ZNSHCXBVSA-N 1 1 198.310 1.023 10 0 ADAEMO C[C@@H]1CC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])O1 643494131 352967914 /nfs/dbraw/zinc/96/79/14/352967914.db2.gz HFQWYHDRPCDTRG-ZNSHCXBVSA-N 1 1 198.310 1.023 10 0 ADAEMO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1N 643494475 352968020 /nfs/dbraw/zinc/96/80/20/352968020.db2.gz HEOQNAYJIZQXPK-WRWGMCAJSA-N 1 1 196.338 1.890 10 0 ADAEMO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H]1N 643494474 352968027 /nfs/dbraw/zinc/96/80/27/352968027.db2.gz HEOQNAYJIZQXPK-WISYIIOYSA-N 1 1 196.338 1.890 10 0 ADAEMO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1N 643494472 352968081 /nfs/dbraw/zinc/96/80/81/352968081.db2.gz HEOQNAYJIZQXPK-DDHJBXDOSA-N 1 1 196.338 1.890 10 0 ADAEMO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2N)O1 643494128 352968461 /nfs/dbraw/zinc/96/84/61/352968461.db2.gz HFQWYHDRPCDTRG-CHWFTXMASA-N 1 1 198.310 1.023 10 0 ADAEMO C[C@@H]1CC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])O1 643494128 352968467 /nfs/dbraw/zinc/96/84/67/352968467.db2.gz HFQWYHDRPCDTRG-CHWFTXMASA-N 1 1 198.310 1.023 10 0 ADAEMO C[C@H]1CC[NH2+]C[C@@H]1N[C@H]1CC1(C)C 643495040 352968513 /nfs/dbraw/zinc/96/85/13/352968513.db2.gz WZFFQBAGXAEQFQ-GUBZILKMSA-N 1 1 182.311 1.373 10 0 ADAEMO C[C@H]1CC[NH2+]C[C@H]1N[C@H]1CC1(C)C 643495039 352968588 /nfs/dbraw/zinc/96/85/88/352968588.db2.gz WZFFQBAGXAEQFQ-AEJSXWLSSA-N 1 1 182.311 1.373 10 0 ADAEMO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2N)O1 643494130 352968649 /nfs/dbraw/zinc/96/86/49/352968649.db2.gz HFQWYHDRPCDTRG-GWOFURMSSA-N 1 1 198.310 1.023 10 0 ADAEMO C[C@@H]1CC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])O1 643494130 352968653 /nfs/dbraw/zinc/96/86/53/352968653.db2.gz HFQWYHDRPCDTRG-GWOFURMSSA-N 1 1 198.310 1.023 10 0 ADAEMO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2N)O1 643494129 352968703 /nfs/dbraw/zinc/96/87/03/352968703.db2.gz HFQWYHDRPCDTRG-DBIOUOCHSA-N 1 1 198.310 1.023 10 0 ADAEMO C[C@@H]1CC[C@H](CN[C@H]2CCC[C@H]2[NH3+])O1 643494129 352968708 /nfs/dbraw/zinc/96/87/08/352968708.db2.gz HFQWYHDRPCDTRG-DBIOUOCHSA-N 1 1 198.310 1.023 10 0 ADAEMO Cc1ccncc1[C@H](C)NCCC[NH3+] 643496723 352970056 /nfs/dbraw/zinc/97/00/56/352970056.db2.gz QMSPVNCXDSXLRT-JTQLQIEISA-N 1 1 193.294 1.389 10 0 ADAEMO Cc1ccncc1[C@@H](C)NCCC[NH3+] 643496724 352970075 /nfs/dbraw/zinc/97/00/75/352970075.db2.gz QMSPVNCXDSXLRT-SNVBAGLBSA-N 1 1 193.294 1.389 10 0 ADAEMO Cc1cncc([C@@H](C)NCCC[NH3+])c1 643496832 352971213 /nfs/dbraw/zinc/97/12/13/352971213.db2.gz ZLLLPWNANCJRCT-SNVBAGLBSA-N 1 1 193.294 1.389 10 0 ADAEMO Cc1cncc([C@H](C)NCCC[NH3+])c1 643496831 352971449 /nfs/dbraw/zinc/97/14/49/352971449.db2.gz ZLLLPWNANCJRCT-JTQLQIEISA-N 1 1 193.294 1.389 10 0 ADAEMO CNCC[NH2+][C@@H](C)Cc1ccoc1 643504549 352975666 /nfs/dbraw/zinc/97/56/66/352975666.db2.gz FXUSOYPXROGSPL-VIFPVBQESA-N 1 1 182.267 1.020 10 0 ADAEMO CNCC[NH2+][C@H](C)Cc1ccoc1 643504548 352976236 /nfs/dbraw/zinc/97/62/36/352976236.db2.gz FXUSOYPXROGSPL-SECBINFHSA-N 1 1 182.267 1.020 10 0 ADAEMO C[NH2+]CCN[C@H]1CC[C@@H]1C(C)(C)C 643504669 352976646 /nfs/dbraw/zinc/97/66/46/352976646.db2.gz VYBWFGZHTPGJLK-UWVGGRQHSA-N 1 1 184.327 1.620 10 0 ADAEMO C[NH2+]CCN[C@@H]1CC[C@H]1C(C)(C)C 643504668 352976998 /nfs/dbraw/zinc/97/69/98/352976998.db2.gz VYBWFGZHTPGJLK-NXEZZACHSA-N 1 1 184.327 1.620 10 0 ADAEMO C[NH2+]CCN[C@H]1CC[C@H]1C(C)(C)C 643504671 352977112 /nfs/dbraw/zinc/97/71/12/352977112.db2.gz VYBWFGZHTPGJLK-ZJUUUORDSA-N 1 1 184.327 1.620 10 0 ADAEMO C[NH2+]CCNC1CC(C(C)C)C1 643504596 352977191 /nfs/dbraw/zinc/97/71/91/352977191.db2.gz MEZIGVUZABETEL-UHFFFAOYSA-N 1 1 170.300 1.230 10 0 ADAEMO CCNCC[NH2+]C1CC(C(C)C)C1 643505460 352977965 /nfs/dbraw/zinc/97/79/65/352977965.db2.gz OEWISYKMOHDZOW-UHFFFAOYSA-N 1 1 184.327 1.620 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H]1CCC[NH2+]1 643505870 352978628 /nfs/dbraw/zinc/97/86/28/352978628.db2.gz BYDRWTKDBPNQBI-ZNSHCXBVSA-N 1 1 182.311 1.373 10 0 ADAEMO C[C@H](NC[C@H]1CCC[NH2+]1)[C@H]1C[C@H]1C 643505869 352978638 /nfs/dbraw/zinc/97/86/38/352978638.db2.gz BYDRWTKDBPNQBI-YTWAJWBKSA-N 1 1 182.311 1.373 10 0 ADAEMO CC(C)C1CC(NC[C@H]2CCC[NH2+]2)C1 643505795 352978658 /nfs/dbraw/zinc/97/86/58/352978658.db2.gz PPTPQFYCBMCKCC-MOENNCHZSA-N 1 1 196.338 1.763 10 0 ADAEMO C[C@H](NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]1C 643505868 352978672 /nfs/dbraw/zinc/97/86/72/352978672.db2.gz BYDRWTKDBPNQBI-RCWTZXSCSA-N 1 1 182.311 1.373 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)NC[C@H]1CCC[NH2+]1 643505867 352979143 /nfs/dbraw/zinc/97/91/43/352979143.db2.gz BYDRWTKDBPNQBI-DBIOUOCHSA-N 1 1 182.311 1.373 10 0 ADAEMO CC(C)C1CC(NC[C@@H]2CCC[NH2+]2)C1 643505794 352979179 /nfs/dbraw/zinc/97/91/79/352979179.db2.gz PPTPQFYCBMCKCC-CXQJBGSLSA-N 1 1 196.338 1.763 10 0 ADAEMO CC(C)C1CC(NCC[NH2+]C2CC2)C1 643507417 352980218 /nfs/dbraw/zinc/98/02/18/352980218.db2.gz CIAKDRWUEKSLAJ-UHFFFAOYSA-N 1 1 196.338 1.763 10 0 ADAEMO CCCC(CCC)NC1C[NH2+]C1 643509507 352980527 /nfs/dbraw/zinc/98/05/27/352980527.db2.gz GMCFUNLRDUIAGJ-UHFFFAOYSA-N 1 1 170.300 1.517 10 0 ADAEMO CCC1(C)CCC(NC2C[NH2+]C2)CC1 643509665 352980532 /nfs/dbraw/zinc/98/05/32/352980532.db2.gz GTVIWIQENNGOKN-UHFFFAOYSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@@H]1C[C@H](NC2C[NH2+]C2)CC(C)(C)C1 643509478 352980591 /nfs/dbraw/zinc/98/05/91/352980591.db2.gz BSMJRLLHVXNZDI-ZJUUUORDSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@H](C)C[C@H](CC)NC1C[NH2+]C1 643509462 352980598 /nfs/dbraw/zinc/98/05/98/352980598.db2.gz ASJZKDGDFOSVSQ-UWVGGRQHSA-N 1 1 184.327 1.763 10 0 ADAEMO CC[C@@H](C)C[C@@H](CC)NC1C[NH2+]C1 643509461 352980609 /nfs/dbraw/zinc/98/06/09/352980609.db2.gz ASJZKDGDFOSVSQ-NXEZZACHSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC[C@@H](C)[C@@H](CC)NC1C[NH2+]C1 643509672 352980690 /nfs/dbraw/zinc/98/06/90/352980690.db2.gz HRJJVOIJYHLYPC-MWLCHTKSSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC[C@H](C)[C@H](CC)NC1C[NH2+]C1 643509673 352980717 /nfs/dbraw/zinc/98/07/17/352980717.db2.gz HRJJVOIJYHLYPC-ONGXEEELSA-N 1 1 184.327 1.763 10 0 ADAEMO CC[C@H](C)C[C@@H](CC)NC1C[NH2+]C1 643509464 352980807 /nfs/dbraw/zinc/98/08/07/352980807.db2.gz ASJZKDGDFOSVSQ-VHSXEESVSA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@H]1C[C@@H](NC2C[NH2+]C2)CC(C)(C)C1 643509477 352980835 /nfs/dbraw/zinc/98/08/35/352980835.db2.gz BSMJRLLHVXNZDI-VHSXEESVSA-N 1 1 196.338 1.763 10 0 ADAEMO CCC[C@@H](C)[C@H](CC)NC1C[NH2+]C1 643509671 352980935 /nfs/dbraw/zinc/98/09/35/352980935.db2.gz HRJJVOIJYHLYPC-KOLCDFICSA-N 1 1 184.327 1.763 10 0 ADAEMO CC[C@@H](C[C@H](C)CC)NC1C[NH2+]C1 643509465 352981002 /nfs/dbraw/zinc/98/10/02/352981002.db2.gz ASJZKDGDFOSVSQ-ZJUUUORDSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC[C@H](C)[C@@H](CC)NC1C[NH2+]C1 643509670 352981023 /nfs/dbraw/zinc/98/10/23/352981023.db2.gz HRJJVOIJYHLYPC-GXSJLCMTSA-N 1 1 184.327 1.763 10 0 ADAEMO C[C@@H]1C[C@@H](NC2C[NH2+]C2)CC(C)(C)C1 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ADAEMO C[C@H](N)[C@H](C)[NH2+][C@H](C)Cc1ccoc1 643540179 353002402 /nfs/dbraw/zinc/00/24/02/353002402.db2.gz XZHXVKIQYNJZCZ-UTLUCORTSA-N 1 1 196.294 1.536 10 0 ADAEMO CC[C@H](N)C[NH2+][C@H](C)C(C)(C)C 643540223 353002438 /nfs/dbraw/zinc/00/24/38/353002438.db2.gz FIYBXOSFKZXARN-BDAKNGLRSA-N 1 1 172.316 1.748 10 0 ADAEMO CC[C@@H](N)C[NH2+][C@@H](C)C(C)(C)C 643540224 353002654 /nfs/dbraw/zinc/00/26/54/353002654.db2.gz FIYBXOSFKZXARN-DTWKUNHWSA-N 1 1 172.316 1.748 10 0 ADAEMO CC[C@@H](N)C[NH2+][C@H](C)Cc1ccoc1 643540770 353003085 /nfs/dbraw/zinc/00/30/85/353003085.db2.gz NCEZFWOWTRPRCZ-MWLCHTKSSA-N 1 1 196.294 1.538 10 0 ADAEMO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccoc1 643540770 353003086 /nfs/dbraw/zinc/00/30/86/353003086.db2.gz NCEZFWOWTRPRCZ-MWLCHTKSSA-N 1 1 196.294 1.538 10 0 ADAEMO CC[C@@H](N)C[NH2+][C@@H](C)Cc1ccoc1 643540768 353003098 /nfs/dbraw/zinc/00/30/98/353003098.db2.gz NCEZFWOWTRPRCZ-GXSJLCMTSA-N 1 1 196.294 1.538 10 0 ADAEMO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccoc1 643540768 353003100 /nfs/dbraw/zinc/00/31/00/353003100.db2.gz NCEZFWOWTRPRCZ-GXSJLCMTSA-N 1 1 196.294 1.538 10 0 ADAEMO CC[C@H](N)C[NH2+][C@H](C)[C@H]1C[C@@H]1C 643540853 353003152 /nfs/dbraw/zinc/00/31/52/353003152.db2.gz ZYTJMTXVMYJUBB-JXUBOQSCSA-N 1 1 170.300 1.358 10 0 ADAEMO CC[C@H](N)C[NH2+][C@H](C)[C@H]1CC1(C)C 643540582 353003161 /nfs/dbraw/zinc/00/31/61/353003161.db2.gz VBASHMSKQGUGOY-KXUCPTDWSA-N 1 1 184.327 1.748 10 0 ADAEMO CC[C@H](N)C[NH2+][C@@H](C)[C@H]1CC1(C)C 643540583 353003165 /nfs/dbraw/zinc/00/31/65/353003165.db2.gz VBASHMSKQGUGOY-LPEHRKFASA-N 1 1 184.327 1.748 10 0 ADAEMO CC[C@H](N)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643540854 353003205 /nfs/dbraw/zinc/00/32/05/353003205.db2.gz ZYTJMTXVMYJUBB-QCLAVDOMSA-N 1 1 170.300 1.358 10 0 ADAEMO CC[C@H](N)C[NH2+][C@H](C)[C@@H]1CC1(C)C 643540584 353003226 /nfs/dbraw/zinc/00/32/26/353003226.db2.gz VBASHMSKQGUGOY-UTLUCORTSA-N 1 1 184.327 1.748 10 0 ADAEMO CC[C@H](N)C[NH2+][C@@H](C)[C@@H]1CC1(C)C 643540581 353003237 /nfs/dbraw/zinc/00/32/37/353003237.db2.gz VBASHMSKQGUGOY-GUBZILKMSA-N 1 1 184.327 1.748 10 0 ADAEMO CC[C@H](N)C[NH2+][C@H](C)Cc1ccoc1 643540769 353003257 /nfs/dbraw/zinc/00/32/57/353003257.db2.gz NCEZFWOWTRPRCZ-KOLCDFICSA-N 1 1 196.294 1.538 10 0 ADAEMO CC[C@H]([NH3+])CN[C@H](C)Cc1ccoc1 643540769 353003259 /nfs/dbraw/zinc/00/32/59/353003259.db2.gz NCEZFWOWTRPRCZ-KOLCDFICSA-N 1 1 196.294 1.538 10 0 ADAEMO CC[C@H](N)C[NH2+][C@@H](C)Cc1ccoc1 643540771 353003400 /nfs/dbraw/zinc/00/34/00/353003400.db2.gz NCEZFWOWTRPRCZ-ONGXEEELSA-N 1 1 196.294 1.538 10 0 ADAEMO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccoc1 643540771 353003403 /nfs/dbraw/zinc/00/34/03/353003403.db2.gz NCEZFWOWTRPRCZ-ONGXEEELSA-N 1 1 196.294 1.538 10 0 ADAEMO CC[C@H](N)C[NH2+][C@H](C)[C@H]1C[C@H]1C 643540852 353003487 /nfs/dbraw/zinc/00/34/87/353003487.db2.gz ZYTJMTXVMYJUBB-IMSYWVGJSA-N 1 1 170.300 1.358 10 0 ADAEMO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCNC1 643545369 353003855 /nfs/dbraw/zinc/00/38/55/353003855.db2.gz GMSFXXCOCMBTPD-UTUOFQBUSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@H]([NH2+][C@H]1CCCCNC1)[C@H]1C[C@H]1C 643545430 353003877 /nfs/dbraw/zinc/00/38/77/353003877.db2.gz SALVGAVKNFYUQY-RHYQMDGZSA-N 1 1 196.338 1.763 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCCCNC1 643545431 353003880 /nfs/dbraw/zinc/00/38/80/353003880.db2.gz SALVGAVKNFYUQY-WYUUTHIRSA-N 1 1 196.338 1.763 10 0 ADAEMO C[C@@H]1[C@@H]([NH2+][C@H]2CCCCNC2)C[C@H]1C 643545464 353003888 /nfs/dbraw/zinc/00/38/88/353003888.db2.gz ZFDAIYJMDXIAJH-RHYQMDGZSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCNC1 643545370 353003897 /nfs/dbraw/zinc/00/38/97/353003897.db2.gz GMSFXXCOCMBTPD-WOPDTQHZSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@H]([NH2+][C@@H]1CCCCNC1)[C@H]1C[C@H]1C 643545429 353003901 /nfs/dbraw/zinc/00/39/01/353003901.db2.gz SALVGAVKNFYUQY-KXNHARMFSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@@H]([NH2+][C@@H]1CCCCNC1)C1CC1 643545314 353003906 /nfs/dbraw/zinc/00/39/06/353003906.db2.gz YGAGQPKXNXJJQM-VXGBXAGGSA-N 1 1 196.338 1.907 10 0 ADAEMO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCCNC1 643545367 353003928 /nfs/dbraw/zinc/00/39/28/353003928.db2.gz GMSFXXCOCMBTPD-GRYCIOLGSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@@H]1[C@@H]([NH2+][C@@H]2CCCCNC2)C[C@H]1C 643545463 353003939 /nfs/dbraw/zinc/00/39/39/353003939.db2.gz ZFDAIYJMDXIAJH-KXNHARMFSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@H]([NH2+][C@@H]1CCCCNC1)C1CC1 643545311 353003958 /nfs/dbraw/zinc/00/39/58/353003958.db2.gz YGAGQPKXNXJJQM-NEPJUHHUSA-N 1 1 196.338 1.907 10 0 ADAEMO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCCNC1 643545368 353003976 /nfs/dbraw/zinc/00/39/76/353003976.db2.gz GMSFXXCOCMBTPD-IJLUTSLNSA-N 1 1 196.338 1.907 10 0 ADAEMO CC[C@@H]([NH2+][C@H]1CCCCNC1)C1CC1 643545312 353003979 /nfs/dbraw/zinc/00/39/79/353003979.db2.gz YGAGQPKXNXJJQM-NWDGAFQWSA-N 1 1 196.338 1.907 10 0 ADAEMO CC[C@H]([NH2+][C@H]1CCCCNC1)C1CC1 643545313 353003992 /nfs/dbraw/zinc/00/39/92/353003992.db2.gz YGAGQPKXNXJJQM-RYUDHWBXSA-N 1 1 196.338 1.907 10 0 ADAEMO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCNC2)[C@@H]1C 643545465 353004022 /nfs/dbraw/zinc/00/40/22/353004022.db2.gz ZFDAIYJMDXIAJH-WYUUTHIRSA-N 1 1 196.338 1.763 10 0 ADAEMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCNC2)[C@@H]1C 643545462 353004157 /nfs/dbraw/zinc/00/41/57/353004157.db2.gz ZFDAIYJMDXIAJH-KKOKHZNYSA-N 1 1 196.338 1.763 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCCCNC1 643545428 353004185 /nfs/dbraw/zinc/00/41/85/353004185.db2.gz SALVGAVKNFYUQY-KKOKHZNYSA-N 1 1 196.338 1.763 10 0 ADAEMO c1nc(C[NH2+][C@@H]2CC23CC3)co1 643800301 353006768 /nfs/dbraw/zinc/00/67/68/353006768.db2.gz OEBGRIFOPRADCB-MRVPVSSYSA-N 1 1 164.208 1.317 10 0 ADAEMO c1nc(C[NH2+][C@H]2CC23CC3)co1 643800302 353006932 /nfs/dbraw/zinc/00/69/32/353006932.db2.gz OEBGRIFOPRADCB-QMMMGPOBSA-N 1 1 164.208 1.317 10 0 ADAEMO CCC(F)(F)C[NH2+]C[C@@H](C)O 17618534 371623760 /nfs/dbraw/zinc/62/37/60/371623760.db2.gz KARKZVSCABYJDX-ZCFIWIBFSA-N 1 1 167.199 1.002 10 0 ADAEMO CCC(F)(F)C[NH2+]C[C@H](C)O 17618536 371624214 /nfs/dbraw/zinc/62/42/14/371624214.db2.gz KARKZVSCABYJDX-LURJTMIESA-N 1 1 167.199 1.002 10 0 ADAEMO CCC(C)(C)[N@@H+](C)CC(C)=O 17712654 371624374 /nfs/dbraw/zinc/62/43/74/371624374.db2.gz FICYLLCLFTVCMF-UHFFFAOYSA-N 1 1 157.257 1.696 10 0 ADAEMO CC(C)(O)C[NH2+]CC(C)(F)F 17401646 371624446 /nfs/dbraw/zinc/62/44/46/371624446.db2.gz ULFWUCVUJHSHQP-UHFFFAOYSA-N 1 1 167.199 1.002 10 0 ADAEMO c1ccc(C[C@H]2C[NH2+]CCCN2)cc1 59327513 371636912 /nfs/dbraw/zinc/63/69/12/371636912.db2.gz SVMWMAWMDBDDIM-LBPRGKRZSA-N 1 1 190.290 1.181 10 0 ADAEMO c1ccc(C[C@H]2CNCCC[NH2+]2)cc1 59327513 371636917 /nfs/dbraw/zinc/63/69/17/371636917.db2.gz SVMWMAWMDBDDIM-LBPRGKRZSA-N 1 1 190.290 1.181 10 0 ADAEMO c1ccc(C[C@@H]2C[NH2+]CCCN2)cc1 59327512 371637096 /nfs/dbraw/zinc/63/70/96/371637096.db2.gz SVMWMAWMDBDDIM-GFCCVEGCSA-N 1 1 190.290 1.181 10 0 ADAEMO c1ccc(C[C@@H]2CNCCC[NH2+]2)cc1 59327512 371637099 /nfs/dbraw/zinc/63/70/99/371637099.db2.gz SVMWMAWMDBDDIM-GFCCVEGCSA-N 1 1 190.290 1.181 10 0 ADAEMO OCCCc1c[nH+]c2ccccn12 60004901 371640016 /nfs/dbraw/zinc/64/00/16/371640016.db2.gz VYUCPNYRFYZFFM-UHFFFAOYSA-N 1 1 176.219 1.259 10 0 ADAEMO c1cnc(C[NH+]2CCCCC2)nc1 98177660 371658370 /nfs/dbraw/zinc/65/83/70/371658370.db2.gz FWJSCYJUQTZNIH-UHFFFAOYSA-N 1 1 177.251 1.463 10 0 ADAEMO C[C@H](Nc1nc(N)cc[nH+]1)C1CC1 161459207 371672136 /nfs/dbraw/zinc/67/21/36/371672136.db2.gz HUBILCUJEKITFL-LURJTMIESA-N 1 1 178.239 1.269 10 0 ADAEMO C[C@@H](Nc1nc(N)cc[nH+]1)C1CC1 161459338 371672200 /nfs/dbraw/zinc/67/22/00/371672200.db2.gz HUBILCUJEKITFL-ZCFIWIBFSA-N 1 1 178.239 1.269 10 0 ADAEMO CC[N@@H+](C)C1CCC(OC)CC1 167006603 371680888 /nfs/dbraw/zinc/68/08/88/371680888.db2.gz DXTURRIABKWIMV-UHFFFAOYSA-N 1 1 171.284 1.896 10 0 ADAEMO CCCCN1CCC([NH+](C)C)CC1 166070272 371681597 /nfs/dbraw/zinc/68/15/97/371681597.db2.gz VKIAUQCTSKVDSG-UHFFFAOYSA-N 1 1 184.327 1.813 10 0 ADAEMO CCCC[NH+]1CCC(N(C)C)CC1 166070272 371681603 /nfs/dbraw/zinc/68/16/03/371681603.db2.gz VKIAUQCTSKVDSG-UHFFFAOYSA-N 1 1 184.327 1.813 10 0 ADAEMO [NH2+]=CN(O)c1ccccc1 198625933 371698444 /nfs/dbraw/zinc/69/84/44/371698444.db2.gz DWSIEUKTERMIGA-UHFFFAOYSA-N 1 1 136.154 1.489 10 0 ADAEMO O[C@H]1CC[N@@H+]2Cc3ccccc3N[C@@H]12 205443978 371706363 /nfs/dbraw/zinc/70/63/63/371706363.db2.gz COZSJNLDVXKSMD-WDEREUQCSA-N 1 1 190.246 1.005 10 0 ADAEMO O[C@H]1CC[N@H+]2Cc3ccccc3N[C@@H]12 205443978 371706366 /nfs/dbraw/zinc/70/63/66/371706366.db2.gz COZSJNLDVXKSMD-WDEREUQCSA-N 1 1 190.246 1.005 10 0 ADAEMO O[C@@H]1CC[N@@H+]2Cc3ccccc3N[C@@H]12 205443992 371706510 /nfs/dbraw/zinc/70/65/10/371706510.db2.gz COZSJNLDVXKSMD-GHMZBOCLSA-N 1 1 190.246 1.005 10 0 ADAEMO O[C@@H]1CC[N@H+]2Cc3ccccc3N[C@@H]12 205443992 371706518 /nfs/dbraw/zinc/70/65/18/371706518.db2.gz COZSJNLDVXKSMD-GHMZBOCLSA-N 1 1 190.246 1.005 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](C)NCC[C@@H]1C 222647218 371716704 /nfs/dbraw/zinc/71/67/04/371716704.db2.gz COXGXXRZIDCPBH-VWYCJHECSA-N 1 1 184.327 1.857 10 0 ADAEMO OCC[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 227567924 371720980 /nfs/dbraw/zinc/72/09/80/371720980.db2.gz SWYPGUMGKPRVBG-NWDGAFQWSA-N 1 1 195.306 1.799 10 0 ADAEMO C[C@H]([NH3+])c1nnc(C(C)(F)F)s1 306688319 371764174 /nfs/dbraw/zinc/76/41/74/371764174.db2.gz JBEXCBWWNTXZKA-VKHMYHEASA-N 1 1 193.222 1.670 10 0 ADAEMO CCC[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238220410 371725688 /nfs/dbraw/zinc/72/56/88/371725688.db2.gz KQOCDDJJHIAYSU-ILWJIGKKSA-N 1 1 168.284 1.351 10 0 ADAEMO CCC[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238220383 371725644 /nfs/dbraw/zinc/72/56/44/371725644.db2.gz KQOCDDJJHIAYSU-OWUUHHOZSA-N 1 1 168.284 1.351 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1ccccc1CO 238349001 371727696 /nfs/dbraw/zinc/72/76/96/371727696.db2.gz GRCNPWXSWZVNHU-GFCCVEGCSA-N 1 1 191.274 1.946 10 0 ADAEMO Cc1cc[nH+]c(N)c1OC(F)(F)F 238470693 371729234 /nfs/dbraw/zinc/72/92/34/371729234.db2.gz RDPSAUVQLQONHH-UHFFFAOYSA-N 1 1 192.140 1.871 10 0 ADAEMO C1CC([NH2+][C@@H]2CC[N@H+]3CC[C@H]2C3)C1 252972649 371736756 /nfs/dbraw/zinc/73/67/56/371736756.db2.gz RTLYUGCSPFDBIF-GXSJLCMTSA-N 1 1 180.295 1.223 10 0 ADAEMO C[C@H](CN)[N@H+]1C[C@H]2CCCC[C@H]2C1 306173250 371744760 /nfs/dbraw/zinc/74/47/60/371744760.db2.gz VBXWSPURRBGOSJ-MXWKQRLJSA-N 1 1 182.311 1.456 10 0 ADAEMO C[C@@H](CN)[N@H+]1C[C@H]2CCCC[C@H]2C1 306173249 371744900 /nfs/dbraw/zinc/74/49/00/371744900.db2.gz VBXWSPURRBGOSJ-GARJFASQSA-N 1 1 182.311 1.456 10 0 ADAEMO CC(C)CC[N@H+]1C[C@H](O)C2(CC2)C1 306430074 371753375 /nfs/dbraw/zinc/75/33/75/371753375.db2.gz PYELWPPJRZKCDD-JTQLQIEISA-N 1 1 183.295 1.489 10 0 ADAEMO CC(C)CC[N@H+]1C[C@@H](O)C2(CC2)C1 306430075 371753414 /nfs/dbraw/zinc/75/34/14/371753414.db2.gz PYELWPPJRZKCDD-SNVBAGLBSA-N 1 1 183.295 1.489 10 0 ADAEMO CC[C@H](Nc1nc(N)cc[nH+]1)C1CC1 306499175 371758139 /nfs/dbraw/zinc/75/81/39/371758139.db2.gz IDMBHJWNLFLWHZ-QMMMGPOBSA-N 1 1 192.266 1.659 10 0 ADAEMO CC[C@@H](Nc1nc(N)cc[nH+]1)C1CC1 306499174 371758247 /nfs/dbraw/zinc/75/82/47/371758247.db2.gz IDMBHJWNLFLWHZ-MRVPVSSYSA-N 1 1 192.266 1.659 10 0 ADAEMO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)[C@@H]1C 306527732 371760922 /nfs/dbraw/zinc/76/09/22/371760922.db2.gz YLJGEAYLLNZICT-RKDXNWHRSA-N 1 1 179.267 1.260 10 0 ADAEMO C[C@@H]([NH3+])c1nnc(C(C)(F)F)s1 306688318 371764165 /nfs/dbraw/zinc/76/41/65/371764165.db2.gz JBEXCBWWNTXZKA-GSVOUGTGSA-N 1 1 193.222 1.670 10 0 ADAEMO Cc1nc(C[NH+]2[C@@H](C)C[C@@H]2C)c[nH]1 306928756 371768211 /nfs/dbraw/zinc/76/82/11/371768211.db2.gz ZFJFFLQAQOBDBJ-YUMQZZPRSA-N 1 1 179.267 1.701 10 0 ADAEMO Cc1ncc(C[N@H+]2[C@@H](C)C[C@H]2C)[nH]1 306928755 371768247 /nfs/dbraw/zinc/76/82/47/371768247.db2.gz ZFJFFLQAQOBDBJ-OCAPTIKFSA-N 1 1 179.267 1.701 10 0 ADAEMO Cc1nc(C[N@@H+]2[C@@H](C)C[C@H]2C)c[nH]1 306928755 371768255 /nfs/dbraw/zinc/76/82/55/371768255.db2.gz ZFJFFLQAQOBDBJ-OCAPTIKFSA-N 1 1 179.267 1.701 10 0 ADAEMO Cc1nc(C[N@H+]2[C@@H](C)C[C@H]2C)c[nH]1 306928755 371768261 /nfs/dbraw/zinc/76/82/61/371768261.db2.gz ZFJFFLQAQOBDBJ-OCAPTIKFSA-N 1 1 179.267 1.701 10 0 ADAEMO Cc1nc(C[NH+]2[C@H](C)C[C@H]2C)c[nH]1 306928754 371768448 /nfs/dbraw/zinc/76/84/48/371768448.db2.gz ZFJFFLQAQOBDBJ-HTQZYQBOSA-N 1 1 179.267 1.701 10 0 ADAEMO C[C@@H]1C[N@H+](C2CC(C)(C)C2)CCN1 307048163 371771423 /nfs/dbraw/zinc/77/14/23/371771423.db2.gz PHIBWOAJHAIUMQ-SECBINFHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CN(C2CC(C)(C)C2)CC[NH2+]1 307048163 371771424 /nfs/dbraw/zinc/77/14/24/371771424.db2.gz PHIBWOAJHAIUMQ-SECBINFHSA-N 1 1 182.311 1.469 10 0 ADAEMO c1cc(C[NH2+][C@H]2C[C@@H]3C[C@@H]3C2)[nH]n1 307104385 371772165 /nfs/dbraw/zinc/77/21/65/371772165.db2.gz BEFAXXLEXXYDSP-DIYOJNKTSA-N 1 1 177.251 1.298 10 0 ADAEMO C[NH+]1CC(Nc2ccnc(Cl)c2)C1 307385156 371780492 /nfs/dbraw/zinc/78/04/92/371780492.db2.gz KIYVZQDMUYRHOI-UHFFFAOYSA-N 1 1 197.669 1.461 10 0 ADAEMO C[C@@H]1C[C@@H](O)C[N@@H+](CC2CC2)C1 307549315 371783252 /nfs/dbraw/zinc/78/32/52/371783252.db2.gz NGFXMDAPNYCFHC-PSASIEDQSA-N 1 1 169.268 1.099 10 0 ADAEMO COCc1[nH+]c2ccccn2c1N 307756640 371783931 /nfs/dbraw/zinc/78/39/31/371783931.db2.gz IQFGJKIMOKDCMG-UHFFFAOYSA-N 1 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152.197 1.340 10 0 ADAEMO OCC[N@H+]1CCC[C@H](C2CC2)C1 307687087 375475723 /nfs/dbraw/zinc/47/57/23/375475723.db2.gz DITLHRHWFSCYQF-JTQLQIEISA-N 1 1 169.268 1.101 10 0 ADAEMO CCC[C@@H](NC1C[NH2+]C1)C1CCC1 324782119 375478439 /nfs/dbraw/zinc/47/84/39/375478439.db2.gz GZCVSTKAYLJPTJ-LLVKDONJSA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+][C@H](C1CCC1)C1CC1 324710388 375478488 /nfs/dbraw/zinc/47/84/88/375478488.db2.gz WLBRIAWRIIBIGH-YGOYTEALSA-N 1 1 196.338 1.890 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+][C@H](C1CCC1)C1CC1 324710386 375478520 /nfs/dbraw/zinc/47/85/20/375478520.db2.gz WLBRIAWRIIBIGH-HOTUBEGUSA-N 1 1 196.338 1.890 10 0 ADAEMO CCC[C@H](NC1C[NH2+]C1)C1CCC1 324782120 375478705 /nfs/dbraw/zinc/47/87/05/375478705.db2.gz GZCVSTKAYLJPTJ-NSHDSACASA-N 1 1 182.311 1.517 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+][C@@H](C1CCC1)C1CC1 324710385 375478720 /nfs/dbraw/zinc/47/87/20/375478720.db2.gz WLBRIAWRIIBIGH-AUTRQRHGSA-N 1 1 196.338 1.890 10 0 ADAEMO CC[C@H]([NH2+][C@H](C)[C@H](C)N)C1CCC1 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/nfs/dbraw/zinc/48/03/92/375480392.db2.gz FCQKVIUXPRVGQK-JTQLQIEISA-N 1 1 168.284 1.127 10 0 ADAEMO C1CC([C@@H](NC2C[NH2+]C2)C2CC2)C1 324864867 375480683 /nfs/dbraw/zinc/48/06/83/375480683.db2.gz BETXGSUAIPJKKX-LLVKDONJSA-N 1 1 180.295 1.127 10 0 ADAEMO C1CC([C@H](NC2C[NH2+]C2)C2CC2)C1 324864870 375480807 /nfs/dbraw/zinc/48/08/07/375480807.db2.gz BETXGSUAIPJKKX-NSHDSACASA-N 1 1 180.295 1.127 10 0 ADAEMO CC[C@@H](NC1C[NH2+]C1)C1CCC1 325017522 375480816 /nfs/dbraw/zinc/48/08/16/375480816.db2.gz FCQKVIUXPRVGQK-SNVBAGLBSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC1 334433510 375483006 /nfs/dbraw/zinc/48/30/06/375483006.db2.gz DFOSHEVEHGMXFG-VIFPVBQESA-N 1 1 196.294 1.092 10 0 ADAEMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC1 334433507 375483074 /nfs/dbraw/zinc/48/30/74/375483074.db2.gz DFOSHEVEHGMXFG-SECBINFHSA-N 1 1 196.294 1.092 10 0 ADAEMO Cc1c[nH]nc1C[NH2+][C@H]1CC12CC2 335281418 375487739 /nfs/dbraw/zinc/48/77/39/375487739.db2.gz NOHVYVBJVNIIKD-VIFPVBQESA-N 1 1 177.251 1.360 10 0 ADAEMO Cc1c[nH]nc1C[NH2+][C@@H]1CC12CC2 335281407 375487942 /nfs/dbraw/zinc/48/79/42/375487942.db2.gz NOHVYVBJVNIIKD-SECBINFHSA-N 1 1 177.251 1.360 10 0 ADAEMO c1snnc1C[NH2+][C@@H]1CC12CC2 335548743 375489073 /nfs/dbraw/zinc/48/90/73/375489073.db2.gz DAXMVJUAVXJAJI-SSDOTTSWSA-N 1 1 181.264 1.180 10 0 ADAEMO c1snnc1C[NH2+][C@H]1CC12CC2 335548747 375489354 /nfs/dbraw/zinc/48/93/54/375489354.db2.gz DAXMVJUAVXJAJI-ZETCQYMHSA-N 1 1 181.264 1.180 10 0 ADAEMO CC(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 336151255 375491577 /nfs/dbraw/zinc/49/15/77/375491577.db2.gz HXZCUMITQFXZTO-SNVBAGLBSA-N 1 1 198.310 1.053 10 0 ADAEMO CC(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 336151254 375491997 /nfs/dbraw/zinc/49/19/97/375491997.db2.gz HXZCUMITQFXZTO-JTQLQIEISA-N 1 1 198.310 1.053 10 0 ADAEMO c1cnn(CC[N@H+]2CCC23CCC3)c1 336486128 375494384 /nfs/dbraw/zinc/49/43/84/375494384.db2.gz UGMZGUBDHYGUDI-UHFFFAOYSA-N 1 1 191.278 1.512 10 0 ADAEMO CO[C@@H](Cn1cc[nH+]c1C)C1CC1 400151593 375500345 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1.907 10 0 ADAEMO C[C@H](NCC1(C)CCC1)[C@@H]1CCC[NH2+]1 400507413 375508193 /nfs/dbraw/zinc/50/81/93/375508193.db2.gz KJFIZGSNUKTQAR-QWRGUYRKSA-N 1 1 196.338 1.907 10 0 ADAEMO CCC[C@@H]1C[C@@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 400525945 375509110 /nfs/dbraw/zinc/50/91/10/375509110.db2.gz QBFCYKKNOWGFGR-USZNOCQGSA-N 1 1 196.338 1.905 10 0 ADAEMO CCC[C@@H]1C[C@@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 400525944 375509372 /nfs/dbraw/zinc/50/93/72/375509372.db2.gz QBFCYKKNOWGFGR-QCNOEVLYSA-N 1 1 196.338 1.905 10 0 ADAEMO CCC[C@@H]1C[C@@H]1N[C@H](C)[C@H]1CCC[NH2+]1 400525941 375509590 /nfs/dbraw/zinc/50/95/90/375509590.db2.gz QBFCYKKNOWGFGR-KKOKHZNYSA-N 1 1 196.338 1.905 10 0 ADAEMO CCC[C@@H]1C[C@@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 400525948 375509601 /nfs/dbraw/zinc/50/96/01/375509601.db2.gz QBFCYKKNOWGFGR-WYUUTHIRSA-N 1 1 196.338 1.905 10 0 ADAEMO C[C@H](NCCCCF)[C@@H]1CCC[NH2+]1 400807382 375509730 /nfs/dbraw/zinc/50/97/30/375509730.db2.gz WULNYFSYIFYMQI-UWVGGRQHSA-N 1 1 188.290 1.466 10 0 ADAEMO C[C@@H](NCCCCF)[C@H]1CCC[NH2+]1 400807380 375509815 /nfs/dbraw/zinc/50/98/15/375509815.db2.gz WULNYFSYIFYMQI-NXEZZACHSA-N 1 1 188.290 1.466 10 0 ADAEMO C[C@H](NCCCCF)[C@H]1CCC[NH2+]1 400807384 375510405 /nfs/dbraw/zinc/51/04/05/375510405.db2.gz WULNYFSYIFYMQI-VHSXEESVSA-N 1 1 188.290 1.466 10 0 ADAEMO C[C@@H](NCCCCF)[C@@H]1CCC[NH2+]1 400807385 375510903 /nfs/dbraw/zinc/51/09/03/375510903.db2.gz WULNYFSYIFYMQI-ZJUUUORDSA-N 1 1 188.290 1.466 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)CC1=CCCC1 401034392 375511753 /nfs/dbraw/zinc/51/17/53/375511753.db2.gz GQWHJRFDGVDCIH-VIFPVBQESA-N 1 1 169.268 1.409 10 0 ADAEMO C[C@H](CO)[N@@H+](C)CC1=CCCC1 401034375 375511927 /nfs/dbraw/zinc/51/19/27/375511927.db2.gz GQWHJRFDGVDCIH-SECBINFHSA-N 1 1 169.268 1.409 10 0 ADAEMO C[N@@H+](CCCCO)CC1=CCCC1 401143264 375512034 /nfs/dbraw/zinc/51/20/34/375512034.db2.gz HPQBKJRNADILLD-UHFFFAOYSA-N 1 1 183.295 1.801 10 0 ADAEMO CC[N@@H+](CCO)CC1=CCCC1 401035163 375512167 /nfs/dbraw/zinc/51/21/67/375512167.db2.gz HAPJKZOHOYDKFZ-UHFFFAOYSA-N 1 1 169.268 1.411 10 0 ADAEMO OCC[C@H]1CC[N@@H+](CC2=CCCC2)C1 401059445 375512376 /nfs/dbraw/zinc/51/23/76/375512376.db2.gz TZDPXXUTCRNIHF-GFCCVEGCSA-N 1 1 195.306 1.801 10 0 ADAEMO OCC[C@@H]1CC[N@@H+](CC2=CCCC2)C1 401059446 375512499 /nfs/dbraw/zinc/51/24/99/375512499.db2.gz TZDPXXUTCRNIHF-LBPRGKRZSA-N 1 1 195.306 1.801 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCCC[C@@H]1N 575594617 375551280 /nfs/dbraw/zinc/55/12/80/375551280.db2.gz KLLPYXYPLWAWTR-VPOLOUISSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCCC[C@H]1N 575594616 375551394 /nfs/dbraw/zinc/55/13/94/375551394.db2.gz KLLPYXYPLWAWTR-LMLFDSFASA-N 1 1 182.311 1.597 10 0 ADAEMO CC[N@@H+](CC(C)=O)[C@H]1CCCOC1 402608686 375526156 /nfs/dbraw/zinc/52/61/56/375526156.db2.gz VXHGQIHYHLPMQC-JTQLQIEISA-N 1 1 185.267 1.076 10 0 ADAEMO CC[N@@H+](CC(C)=O)[C@@H]1CCCOC1 402608688 375526202 /nfs/dbraw/zinc/52/62/02/375526202.db2.gz VXHGQIHYHLPMQC-SNVBAGLBSA-N 1 1 185.267 1.076 10 0 ADAEMO [NH3+]Cc1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1 403392326 375528783 /nfs/dbraw/zinc/52/87/83/375528783.db2.gz QZOLCJXYENGEEP-BWZBUEFSSA-N 1 1 193.250 1.432 10 0 ADAEMO [NH3+]Cc1noc([C@@H]2CC[C@H]3C[C@H]3C2)n1 403392336 375528873 /nfs/dbraw/zinc/52/88/73/375528873.db2.gz QZOLCJXYENGEEP-RNJXMRFFSA-N 1 1 193.250 1.432 10 0 ADAEMO c1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)[nH]n1 403729217 375531436 /nfs/dbraw/zinc/53/14/36/375531436.db2.gz JXQQOVZAJICHMA-OPRDCNLKSA-N 1 1 191.278 1.688 10 0 ADAEMO c1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)[nH]n1 403729216 375531491 /nfs/dbraw/zinc/53/14/91/375531491.db2.gz JXQQOVZAJICHMA-LPEHRKFASA-N 1 1 191.278 1.688 10 0 ADAEMO Cc1cc(C[NH2+]CCF)sn1 404421631 375532234 /nfs/dbraw/zinc/53/22/34/375532234.db2.gz CHRMEGZMOMKUFD-UHFFFAOYSA-N 1 1 174.244 1.511 10 0 ADAEMO C[C@H](C[NH2+]Cc1ccns1)N(C)C 404481651 375533463 /nfs/dbraw/zinc/53/34/63/375533463.db2.gz FIBISNUCOPHLIN-MRVPVSSYSA-N 1 1 199.323 1.183 10 0 ADAEMO FCC[NH2+]Cc1ccns1 404469782 375534060 /nfs/dbraw/zinc/53/40/60/375534060.db2.gz LBOIIOHVCSAPOP-UHFFFAOYSA-N 1 1 160.217 1.202 10 0 ADAEMO C[C@@H](C[NH2+]Cc1ccns1)N(C)C 404481655 375534464 /nfs/dbraw/zinc/53/44/64/375534464.db2.gz FIBISNUCOPHLIN-QMMMGPOBSA-N 1 1 199.323 1.183 10 0 ADAEMO C[C@@H](CN(C)C)[NH2+]Cc1ccns1 404492954 375535252 /nfs/dbraw/zinc/53/52/52/375535252.db2.gz XCSNMWDWCTWRCX-QMMMGPOBSA-N 1 1 199.323 1.183 10 0 ADAEMO CC[C@@H]1CS[C@H](c2cn[nH]c2)[NH2+]1 575470512 375549495 /nfs/dbraw/zinc/54/94/95/375549495.db2.gz ZIKJSIUAWUSXLT-HTQZYQBOSA-N 1 1 183.280 1.523 10 0 ADAEMO CC[C@H]1CS[C@H](c2cn[nH]c2)[NH2+]1 575470516 375549625 /nfs/dbraw/zinc/54/96/25/375549625.db2.gz ZIKJSIUAWUSXLT-JGVFFNPUSA-N 1 1 183.280 1.523 10 0 ADAEMO CC[C@H]1CS[C@@H](c2cn[nH]c2)[NH2+]1 575470518 375549667 /nfs/dbraw/zinc/54/96/67/375549667.db2.gz ZIKJSIUAWUSXLT-YUMQZZPRSA-N 1 1 183.280 1.523 10 0 ADAEMO CC[C@@H]1CS[C@@H](c2cn[nH]c2)[NH2+]1 575470517 375549692 /nfs/dbraw/zinc/54/96/92/375549692.db2.gz ZIKJSIUAWUSXLT-SFYZADRCSA-N 1 1 183.280 1.523 10 0 ADAEMO CC(C)C[N@H+]1CC[C@H](n2ccnn2)C1 585380530 375558434 /nfs/dbraw/zinc/55/84/34/375558434.db2.gz YNLSWUDJUGKRHG-JTQLQIEISA-N 1 1 194.282 1.181 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1C 575594614 375551061 /nfs/dbraw/zinc/55/10/61/375551061.db2.gz KLLPYXYPLWAWTR-CHWFTXMASA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CN([C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1C 575594614 375551066 /nfs/dbraw/zinc/55/10/66/375551066.db2.gz KLLPYXYPLWAWTR-CHWFTXMASA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2N)[C@@H]1C 575594614 375551070 /nfs/dbraw/zinc/55/10/70/375551070.db2.gz KLLPYXYPLWAWTR-CHWFTXMASA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2N)[C@@H]1C 575594614 375551073 /nfs/dbraw/zinc/55/10/73/375551073.db2.gz KLLPYXYPLWAWTR-CHWFTXMASA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 575594617 375551265 /nfs/dbraw/zinc/55/12/65/375551265.db2.gz KLLPYXYPLWAWTR-VPOLOUISSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]1[C@H](C)CN1[C@@H]1CCCC[C@@H]1[NH3+] 575594617 375551270 /nfs/dbraw/zinc/55/12/70/375551270.db2.gz KLLPYXYPLWAWTR-VPOLOUISSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCCC[C@@H]1N 575594617 375551276 /nfs/dbraw/zinc/55/12/76/375551276.db2.gz KLLPYXYPLWAWTR-VPOLOUISSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCCC[C@H]1[NH3+] 575594616 375551384 /nfs/dbraw/zinc/55/13/84/375551384.db2.gz KLLPYXYPLWAWTR-LMLFDSFASA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]1[C@H](C)CN1[C@@H]1CCCC[C@H]1[NH3+] 575594616 375551389 /nfs/dbraw/zinc/55/13/89/375551389.db2.gz KLLPYXYPLWAWTR-LMLFDSFASA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCCC[C@H]1N 575594616 375551398 /nfs/dbraw/zinc/55/13/98/375551398.db2.gz KLLPYXYPLWAWTR-LMLFDSFASA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CCCC[C@H]2[NH3+])[C@@H]1C 575594615 375551417 /nfs/dbraw/zinc/55/14/17/375551417.db2.gz KLLPYXYPLWAWTR-GWOFURMSSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1CN([C@@H]2CCCC[C@H]2[NH3+])[C@@H]1C 575594615 375551421 /nfs/dbraw/zinc/55/14/21/375551421.db2.gz KLLPYXYPLWAWTR-GWOFURMSSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@H]2N)[C@@H]1C 575594615 375551426 /nfs/dbraw/zinc/55/14/26/375551426.db2.gz KLLPYXYPLWAWTR-GWOFURMSSA-N 1 1 182.311 1.597 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CCCC[C@H]2N)[C@@H]1C 575594615 375551431 /nfs/dbraw/zinc/55/14/31/375551431.db2.gz KLLPYXYPLWAWTR-GWOFURMSSA-N 1 1 182.311 1.597 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@H](n2ccnn2)C1 585380531 375557828 /nfs/dbraw/zinc/55/78/28/375557828.db2.gz YNLSWUDJUGKRHG-SNVBAGLBSA-N 1 1 194.282 1.181 10 0 ADAEMO CCOCC[N@@H+](C[C@H](C)O)C(C)C 592979135 375562363 /nfs/dbraw/zinc/56/23/63/375562363.db2.gz NMXQZLVXTUVEMD-JTQLQIEISA-N 1 1 189.299 1.114 10 0 ADAEMO CCOCC[N@@H+](C[C@@H](C)O)C(C)C 592979140 375562590 /nfs/dbraw/zinc/56/25/90/375562590.db2.gz NMXQZLVXTUVEMD-SNVBAGLBSA-N 1 1 189.299 1.114 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1cccn1C 646235312 375585046 /nfs/dbraw/zinc/58/50/46/375585046.db2.gz QOGQOGLJIBKXLL-NSHDSACASA-N 1 1 194.278 1.246 10 0 ADAEMO CC[N@@H+](Cc1conc1C)C1CC1 646053231 375571325 /nfs/dbraw/zinc/57/13/25/375571325.db2.gz NDAYDFPYWLJWHP-UHFFFAOYSA-N 1 1 180.251 1.967 10 0 ADAEMO Cc1nocc1C[N@H+](CCO)C(C)C 646048293 375571996 /nfs/dbraw/zinc/57/19/96/375571996.db2.gz FXIDJTGQLCTQJP-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO CCC[N@@H+](CCO)Cc1conc1C 646048295 375572590 /nfs/dbraw/zinc/57/25/90/375572590.db2.gz GCXLJRVVQDFRMG-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO Cc1nocc1C[N@@H+](C)CC1CC1 646064055 375573183 /nfs/dbraw/zinc/57/31/83/375573183.db2.gz UVIJWAMQPPPOCT-UHFFFAOYSA-N 1 1 180.251 1.825 10 0 ADAEMO Cc1nocc1C[N@H+](C)C(C)(C)CO 646065852 375573524 /nfs/dbraw/zinc/57/35/24/375573524.db2.gz XLTZSRSXBCMLRD-UHFFFAOYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1nocc1C[N@H+](C)CC[C@H](C)O 646088310 375574797 /nfs/dbraw/zinc/57/47/97/375574797.db2.gz ASBWYYAFCGBCNN-QMMMGPOBSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1nocc1C[N@H+](C)CC[C@@H](C)O 646088309 375575016 /nfs/dbraw/zinc/57/50/16/375575016.db2.gz ASBWYYAFCGBCNN-MRVPVSSYSA-N 1 1 198.266 1.186 10 0 ADAEMO CC[N@@H+](CCCO)Cc1conc1C 646091901 375576979 /nfs/dbraw/zinc/57/69/79/375576979.db2.gz ZALNWZSVOQRAEC-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO OCC[N@H+]1CCCC[C@@H]1C1CCC1 646139534 375579791 /nfs/dbraw/zinc/57/97/91/375579791.db2.gz XIYLHRRXJLILSZ-LLVKDONJSA-N 1 1 183.295 1.633 10 0 ADAEMO NC(=O)C[N@H+]1CCCC[C@@H]1C1CCC1 646137680 375580132 /nfs/dbraw/zinc/58/01/32/375580132.db2.gz SAJGSWHSPNWIMH-SNVBAGLBSA-N 1 1 196.294 1.126 10 0 ADAEMO OCC[N@H+]1CCCC[C@H]1C1CCC1 646139535 375580213 /nfs/dbraw/zinc/58/02/13/375580213.db2.gz XIYLHRRXJLILSZ-NSHDSACASA-N 1 1 183.295 1.633 10 0 ADAEMO NC(=O)C[N@H+]1CCCC[C@H]1C1CCC1 646137679 375580597 /nfs/dbraw/zinc/58/05/97/375580597.db2.gz SAJGSWHSPNWIMH-JTQLQIEISA-N 1 1 196.294 1.126 10 0 ADAEMO Cc1nocc1C[N@@H+]1CC=CCC1 646154157 375581101 /nfs/dbraw/zinc/58/11/01/375581101.db2.gz FOCYONCCTNKSTN-UHFFFAOYSA-N 1 1 178.235 1.745 10 0 ADAEMO CCOCC[N@H+](C)Cc1conc1C 646154686 375581725 /nfs/dbraw/zinc/58/17/25/375581725.db2.gz WRNHGXRVGVXEIH-UHFFFAOYSA-N 1 1 198.266 1.451 10 0 ADAEMO CCOCC[N@@H+](C)Cc1conc1C 646154686 375581728 /nfs/dbraw/zinc/58/17/28/375581728.db2.gz WRNHGXRVGVXEIH-UHFFFAOYSA-N 1 1 198.266 1.451 10 0 ADAEMO Cc1nocc1C[N@@H+](C)CCCCO 646172661 375582808 /nfs/dbraw/zinc/58/28/08/375582808.db2.gz IAXMHALKAVTAJC-UHFFFAOYSA-N 1 1 198.266 1.187 10 0 ADAEMO CCc1nocc1C[N@@H+](C)[C@@H](C)CO 646198033 375582846 /nfs/dbraw/zinc/58/28/46/375582846.db2.gz WPKUBOZHGRNQNT-QMMMGPOBSA-N 1 1 198.266 1.050 10 0 ADAEMO CC[N@@H+](Cc1conc1C)[C@H](C)CO 646206489 375583003 /nfs/dbraw/zinc/58/30/03/375583003.db2.gz JSFZPKLYXWYCBJ-MRVPVSSYSA-N 1 1 198.266 1.186 10 0 ADAEMO Cc1sccc1C[N@H+](C)[C@@H](C)CO 646198012 375583068 /nfs/dbraw/zinc/58/30/68/375583068.db2.gz SSMCAFHVYCPZSB-QMMMGPOBSA-N 1 1 199.319 1.869 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1ccsc1 646235247 375584994 /nfs/dbraw/zinc/58/49/94/375584994.db2.gz AZLXJSIXLSLPTM-JTQLQIEISA-N 1 1 197.303 1.969 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1ccc(C)o1 646235320 375585009 /nfs/dbraw/zinc/58/50/09/375585009.db2.gz RUFFWMWBBPYIDG-SNVBAGLBSA-N 1 1 195.262 1.809 10 0 ADAEMO COC[C@@H]1CC[N@H+]1CC[C@@H]1CCOC1 646235272 375585034 /nfs/dbraw/zinc/58/50/34/375585034.db2.gz GZLBGRFVEPMGKM-MNOVXSKESA-N 1 1 199.294 1.134 10 0 ADAEMO COC[C@H]1CC[N@@H+]1Cc1cncs1 646235593 375585060 /nfs/dbraw/zinc/58/50/60/375585060.db2.gz ZPTRTATUQDQNOC-MRVPVSSYSA-N 1 1 198.291 1.364 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1cncs1 646235593 375585065 /nfs/dbraw/zinc/58/50/65/375585065.db2.gz ZPTRTATUQDQNOC-MRVPVSSYSA-N 1 1 198.291 1.364 10 0 ADAEMO COC[C@H]1CC[N@@H+]1Cc1conc1C 646235564 375585104 /nfs/dbraw/zinc/58/51/04/375585104.db2.gz PMMVGTHWSQPVOQ-SNVBAGLBSA-N 1 1 196.250 1.204 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1conc1C 646235564 375585110 /nfs/dbraw/zinc/58/51/10/375585110.db2.gz PMMVGTHWSQPVOQ-SNVBAGLBSA-N 1 1 196.250 1.204 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1ccco1 646235283 375585130 /nfs/dbraw/zinc/58/51/30/375585130.db2.gz HXSIUNAIMJLUPY-SECBINFHSA-N 1 1 181.235 1.500 10 0 ADAEMO COC[C@@H]1CC[N@H+]1CC1(C)CC1 646235270 375585149 /nfs/dbraw/zinc/58/51/49/375585149.db2.gz GVCXSPUNYJKOON-VIFPVBQESA-N 1 1 169.268 1.507 10 0 ADAEMO COC[C@@H]1CC[N@@H+]1Cc1cncs1 646235594 375585166 /nfs/dbraw/zinc/58/51/66/375585166.db2.gz ZPTRTATUQDQNOC-QMMMGPOBSA-N 1 1 198.291 1.364 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1cncs1 646235594 375585171 /nfs/dbraw/zinc/58/51/71/375585171.db2.gz ZPTRTATUQDQNOC-QMMMGPOBSA-N 1 1 198.291 1.364 10 0 ADAEMO COC1CC([NH2+]CC(C)(F)F)C1 646244402 375585177 /nfs/dbraw/zinc/58/51/77/375585177.db2.gz FCWJNZRFNXDWQB-UHFFFAOYSA-N 1 1 179.210 1.409 10 0 ADAEMO COC[C@H]1CC[N@H+]1CC1=CCCOC1 646235354 375585186 /nfs/dbraw/zinc/58/51/86/375585186.db2.gz XPCJQBSGWOYAHI-LLVKDONJSA-N 1 1 197.278 1.054 10 0 ADAEMO COC[C@@H]1CC[N@H+]1C[C@H]1C[C@H]1C 646235549 375585199 /nfs/dbraw/zinc/58/51/99/375585199.db2.gz MEGXEVGZCRXVEW-BBBLOLIVSA-N 1 1 169.268 1.363 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1ccn(C)c1 646235558 375585234 /nfs/dbraw/zinc/58/52/34/375585234.db2.gz NXIARGKMYWOYDP-NSHDSACASA-N 1 1 194.278 1.246 10 0 ADAEMO COC[C@@H]1CC[N@@H+]1Cc1conc1C 646235563 375585268 /nfs/dbraw/zinc/58/52/68/375585268.db2.gz PMMVGTHWSQPVOQ-JTQLQIEISA-N 1 1 196.250 1.204 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1conc1C 646235563 375585272 /nfs/dbraw/zinc/58/52/72/375585272.db2.gz PMMVGTHWSQPVOQ-JTQLQIEISA-N 1 1 196.250 1.204 10 0 ADAEMO COC[C@H]1CC[N@H+]1CC[C@@H]1CCOC1 646235271 375585296 /nfs/dbraw/zinc/58/52/96/375585296.db2.gz GZLBGRFVEPMGKM-GHMZBOCLSA-N 1 1 199.294 1.134 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1ccco1 646235284 375585303 /nfs/dbraw/zinc/58/53/03/375585303.db2.gz HXSIUNAIMJLUPY-VIFPVBQESA-N 1 1 181.235 1.500 10 0 ADAEMO COC[C@@H]1CC[N@H+]1CC1=CCCOC1 646235355 375585319 /nfs/dbraw/zinc/58/53/19/375585319.db2.gz XPCJQBSGWOYAHI-NSHDSACASA-N 1 1 197.278 1.054 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1ccc(C)o1 646235319 375585364 /nfs/dbraw/zinc/58/53/64/375585364.db2.gz RUFFWMWBBPYIDG-JTQLQIEISA-N 1 1 195.262 1.809 10 0 ADAEMO COC[C@H]1CC[N@H+]1CC1(C)CC1 646235269 375585377 /nfs/dbraw/zinc/58/53/77/375585377.db2.gz GVCXSPUNYJKOON-SECBINFHSA-N 1 1 169.268 1.507 10 0 ADAEMO COC[C@@H]1CC[N@H+]1CC[C@H]1CCOC1 646235273 375585443 /nfs/dbraw/zinc/58/54/43/375585443.db2.gz GZLBGRFVEPMGKM-QWRGUYRKSA-N 1 1 199.294 1.134 10 0 ADAEMO COC[C@H]1CC[N@H+]1CC[C@H]1CCOC1 646235274 375585453 /nfs/dbraw/zinc/58/54/53/375585453.db2.gz GZLBGRFVEPMGKM-WDEREUQCSA-N 1 1 199.294 1.134 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1ccn(C)c1 646235557 375585459 /nfs/dbraw/zinc/58/54/59/375585459.db2.gz NXIARGKMYWOYDP-LLVKDONJSA-N 1 1 194.278 1.246 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1cccn1C 646235311 375585477 /nfs/dbraw/zinc/58/54/77/375585477.db2.gz QOGQOGLJIBKXLL-LLVKDONJSA-N 1 1 194.278 1.246 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1ccsc1 646235248 375585572 /nfs/dbraw/zinc/58/55/72/375585572.db2.gz AZLXJSIXLSLPTM-SNVBAGLBSA-N 1 1 197.303 1.969 10 0 ADAEMO COC[C@@H]1CC[N@H+]1CC1(F)CC1 646235254 375585737 /nfs/dbraw/zinc/58/57/37/375585737.db2.gz BPSWXQOOLYIPSZ-QMMMGPOBSA-N 1 1 173.231 1.209 10 0 ADAEMO COC[C@@H]1CC[N@H+]1C[C@@H]1C[C@H]1C 646235551 375585770 /nfs/dbraw/zinc/58/57/70/375585770.db2.gz MEGXEVGZCRXVEW-UTLUCORTSA-N 1 1 169.268 1.363 10 0 ADAEMO COC[C@@H]1CC[N@H+]1Cc1occc1C 646235569 375585861 /nfs/dbraw/zinc/58/58/61/375585861.db2.gz RKFKAWMSAKCYHY-JTQLQIEISA-N 1 1 195.262 1.809 10 0 ADAEMO COC[C@@H]1CC[N@H+]1C[C@@H]1C[C@@H]1C 646235550 375585884 /nfs/dbraw/zinc/58/58/84/375585884.db2.gz MEGXEVGZCRXVEW-GUBZILKMSA-N 1 1 169.268 1.363 10 0 ADAEMO COC[C@H]1CC[N@H+]1Cc1occc1C 646235570 375585920 /nfs/dbraw/zinc/58/59/20/375585920.db2.gz RKFKAWMSAKCYHY-SNVBAGLBSA-N 1 1 195.262 1.809 10 0 ADAEMO COC[C@@H]1CC[N@H+]1C[C@H]1C[C@@H]1C 646235548 375586014 /nfs/dbraw/zinc/58/60/14/375586014.db2.gz MEGXEVGZCRXVEW-AEJSXWLSSA-N 1 1 169.268 1.363 10 0 ADAEMO COC[C@H]1CC[N@H+]1CC1(F)CC1 646235253 375586061 /nfs/dbraw/zinc/58/60/61/375586061.db2.gz BPSWXQOOLYIPSZ-MRVPVSSYSA-N 1 1 173.231 1.209 10 0 ADAEMO C[C@H]1C[N@@H+](Cc2cncs2)[C@@H]1C 646252500 375586702 /nfs/dbraw/zinc/58/67/02/375586702.db2.gz BGUFBUYCQGJQII-JGVFFNPUSA-N 1 1 182.292 1.983 10 0 ADAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1cncs1 646252501 375586864 /nfs/dbraw/zinc/58/68/64/375586864.db2.gz BGUFBUYCQGJQII-SFYZADRCSA-N 1 1 182.292 1.983 10 0 ADAEMO Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H]1C 646252630 375586911 /nfs/dbraw/zinc/58/69/11/375586911.db2.gz KYJYEKFXUORBFV-VXNVDRBHSA-N 1 1 180.251 1.823 10 0 ADAEMO Cc1nocc1C[N@@H+]1C[C@@H](C)[C@@H]1C 646252627 375586925 /nfs/dbraw/zinc/58/69/25/375586925.db2.gz KYJYEKFXUORBFV-APPZFPTMSA-N 1 1 180.251 1.823 10 0 ADAEMO C[C@H](F)CC[NH2+]Cc1csnn1 646245363 375586961 /nfs/dbraw/zinc/58/69/61/375586961.db2.gz ZWKYNQNAJVSGJX-LURJTMIESA-N 1 1 189.259 1.376 10 0 ADAEMO C[C@H]1[C@H](C)C[N@@H+]1C[C@H]1C[C@H]1C 646252595 375586968 /nfs/dbraw/zinc/58/69/68/375586968.db2.gz DGYHUIJUNDEIFF-DOLQZWNJSA-N 1 1 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/nfs/dbraw/zinc/75/54/22/375755422.db2.gz OUSBIQKXHABSDB-DBIOUOCHSA-N 1 1 183.295 1.345 10 0 ADAEMO C[C@@H]1C[C@H](O)C[N@@H+](C[C@@H]2C[C@H]2C)C1 648862335 375755470 /nfs/dbraw/zinc/75/54/70/375755470.db2.gz OUSBIQKXHABSDB-ZNSHCXBVSA-N 1 1 183.295 1.345 10 0 ADAEMO CCSc1nnc([C@@H](C)[NH3+])o1 16039284 409314430 /nfs/dbraw/zinc/31/44/30/409314430.db2.gz WMEFLARLDIDZLE-SCSAIBSYSA-N 1 1 173.241 1.201 10 0 ADAEMO CC[C@H](O)C[N@H+]1CC[C@@H]1C1CC1 651137718 409321739 /nfs/dbraw/zinc/32/17/39/409321739.db2.gz MFDNHHLIPHFZLD-VHSXEESVSA-N 1 1 169.268 1.242 10 0 ADAEMO CC[C@H](O)C[N@H+]1CC[C@H]1C1CC1 651137717 409321867 /nfs/dbraw/zinc/32/18/67/409321867.db2.gz MFDNHHLIPHFZLD-UWVGGRQHSA-N 1 1 169.268 1.242 10 0 ADAEMO CC[C@@H](O)C[N@H+]1CC[C@@H]1C1CC1 651137716 409322128 /nfs/dbraw/zinc/32/21/28/409322128.db2.gz MFDNHHLIPHFZLD-NXEZZACHSA-N 1 1 169.268 1.242 10 0 ADAEMO CC[C@@H](O)C[N@H+]1CC[C@H]1C1CC1 651137719 409322179 /nfs/dbraw/zinc/32/21/79/409322179.db2.gz MFDNHHLIPHFZLD-ZJUUUORDSA-N 1 1 169.268 1.242 10 0 ADAEMO CCCCC[N@@H+](C)[C@H](C)CN 37164969 409325509 /nfs/dbraw/zinc/32/55/09/409325509.db2.gz GLUBOGZUWSRYTF-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCCCCN(C)[C@H](C)C[NH3+] 37164969 409325511 /nfs/dbraw/zinc/32/55/11/409325511.db2.gz GLUBOGZUWSRYTF-SECBINFHSA-N 1 1 158.289 1.456 10 0 ADAEMO CCCCCN1CCC([NH2+]C)CC1 37240819 409325642 /nfs/dbraw/zinc/32/56/42/409325642.db2.gz XGIRNRYJDLDILN-UHFFFAOYSA-N 1 1 184.327 1.860 10 0 ADAEMO Cc1cc(N2CC=CC2)nc(C)[nH+]1 651357044 409325758 /nfs/dbraw/zinc/32/57/58/409325758.db2.gz GMKHYHUKPLOPIQ-UHFFFAOYSA-N 1 1 175.235 1.470 10 0 ADAEMO CC[N@@H+](CC(C)=O)C1CCCC1 37337479 409325853 /nfs/dbraw/zinc/32/58/53/409325853.db2.gz FLWJCPXYCIONPZ-UHFFFAOYSA-N 1 1 169.268 1.840 10 0 ADAEMO CC[N@H+](CC(C)=O)CC(C)C 37336269 409326146 /nfs/dbraw/zinc/32/61/46/409326146.db2.gz HCMOHVAYZOOCBP-UHFFFAOYSA-N 1 1 157.257 1.553 10 0 ADAEMO CCCCC[N@@H+](C)[C@@H](C)CN 37164966 409326301 /nfs/dbraw/zinc/32/63/01/409326301.db2.gz GLUBOGZUWSRYTF-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO CCCCCN(C)[C@@H](C)C[NH3+] 37164966 409326307 /nfs/dbraw/zinc/32/63/07/409326307.db2.gz GLUBOGZUWSRYTF-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO Cc1cc([C@@H](C)NCCC[NH3+])c(C)o1 37713539 409333886 /nfs/dbraw/zinc/33/38/86/409333886.db2.gz BGLVPYCBGAPCCC-SECBINFHSA-N 1 1 196.294 1.896 10 0 ADAEMO C[C@H](NCCC[NH3+])c1ccccc1F 37713210 409333955 /nfs/dbraw/zinc/33/39/55/409333955.db2.gz QPIQWKXIIOFKPD-VIFPVBQESA-N 1 1 196.269 1.825 10 0 ADAEMO CCC1C[NH+](Cc2ccn(C)n2)C1 651610221 409334056 /nfs/dbraw/zinc/33/40/56/409334056.db2.gz HGPLGUGCRISOTI-UHFFFAOYSA-N 1 1 179.267 1.262 10 0 ADAEMO C[C@H](NCCC[NH3+])c1cccc(O)c1 37713289 409334512 /nfs/dbraw/zinc/33/45/12/409334512.db2.gz XGNYEZBQQAMURM-VIFPVBQESA-N 1 1 194.278 1.392 10 0 ADAEMO Cc1cc([C@H](C)NCCC[NH3+])c(C)o1 37713540 409334970 /nfs/dbraw/zinc/33/49/70/409334970.db2.gz BGLVPYCBGAPCCC-VIFPVBQESA-N 1 1 196.294 1.896 10 0 ADAEMO Cc1ccc(C[NH2+]Cc2cn[nH]c2)o1 38005658 409339504 /nfs/dbraw/zinc/33/95/04/409339504.db2.gz SYTVWFNDFYKWLV-UHFFFAOYSA-N 1 1 191.234 1.601 10 0 ADAEMO c1n[nH]cc1C[N@H+]1CCC12CCCC2 651873721 409341257 /nfs/dbraw/zinc/34/12/57/409341257.db2.gz TWJIQURDIQDLOV-UHFFFAOYSA-N 1 1 191.278 1.928 10 0 ADAEMO CC(C)CC[N@H+]1CCC[C@H]1CN 39068423 409341770 /nfs/dbraw/zinc/34/17/70/409341770.db2.gz WBRZULPNYDEOPL-JTQLQIEISA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H](C)NC[C@H]1CCC[NH2+]1 40407790 409343620 /nfs/dbraw/zinc/34/36/20/409343620.db2.gz FFRIJUWBDMHUGD-DTWKUNHWSA-N 1 1 156.273 1.127 10 0 ADAEMO CC[C@@H](C)NC[C@H]1CCC[NH2+]1 40407786 409344114 /nfs/dbraw/zinc/34/41/14/409344114.db2.gz FFRIJUWBDMHUGD-RKDXNWHRSA-N 1 1 156.273 1.127 10 0 ADAEMO CC[C@@H](C)NC[C@@H]1CCC[NH2+]1 40407778 409344266 /nfs/dbraw/zinc/34/42/66/409344266.db2.gz FFRIJUWBDMHUGD-BDAKNGLRSA-N 1 1 156.273 1.127 10 0 ADAEMO CC[C@H](C)NC[C@@H]1CCC[NH2+]1 40407782 409344309 /nfs/dbraw/zinc/34/43/09/409344309.db2.gz FFRIJUWBDMHUGD-IUCAKERBSA-N 1 1 156.273 1.127 10 0 ADAEMO CCCCCc1nc(C[NH3+])no1 41052123 409347809 /nfs/dbraw/zinc/34/78/09/409347809.db2.gz CCAWXCVGHHTCPD-UHFFFAOYSA-N 1 1 169.228 1.261 10 0 ADAEMO C[C@H](CCO)[N@@H+](C)CC1(F)CC1 652050169 409347829 /nfs/dbraw/zinc/34/78/29/409347829.db2.gz XUDQKOZQCGCBGV-MRVPVSSYSA-N 1 1 175.247 1.191 10 0 ADAEMO F[C@H]1CCC[N@H+](CC2(F)CC2)C1 652076707 409347914 /nfs/dbraw/zinc/34/79/14/409347914.db2.gz UHSMYIMZUGSIQI-QMMMGPOBSA-N 1 1 175.222 1.922 10 0 ADAEMO F[C@H]1CCC[N@@H+](CC2(F)CC2)C1 652076707 409347919 /nfs/dbraw/zinc/34/79/19/409347919.db2.gz UHSMYIMZUGSIQI-QMMMGPOBSA-N 1 1 175.222 1.922 10 0 ADAEMO C[C@@H](CCO)[N@@H+](C)CC1(F)CC1 652050170 409348234 /nfs/dbraw/zinc/34/82/34/409348234.db2.gz XUDQKOZQCGCBGV-QMMMGPOBSA-N 1 1 175.247 1.191 10 0 ADAEMO F[C@@H]1CCC[N@H+](CC2(F)CC2)C1 652076706 409348592 /nfs/dbraw/zinc/34/85/92/409348592.db2.gz UHSMYIMZUGSIQI-MRVPVSSYSA-N 1 1 175.222 1.922 10 0 ADAEMO F[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 652076706 409348595 /nfs/dbraw/zinc/34/85/95/409348595.db2.gz UHSMYIMZUGSIQI-MRVPVSSYSA-N 1 1 175.222 1.922 10 0 ADAEMO COC[C@H](C)C[N@H+]1CCC[C@@H](F)C1 652076742 409350026 /nfs/dbraw/zinc/35/00/26/409350026.db2.gz WYLMEHVGHJGSFK-NXEZZACHSA-N 1 1 189.274 1.703 10 0 ADAEMO COC[C@H](C)C[N@H+]1CCC[C@H](F)C1 652076745 409350928 /nfs/dbraw/zinc/35/09/28/409350928.db2.gz WYLMEHVGHJGSFK-ZJUUUORDSA-N 1 1 189.274 1.703 10 0 ADAEMO COC[C@@H](C)C[N@H+]1CCC[C@@H](F)C1 652076744 409350288 /nfs/dbraw/zinc/35/02/88/409350288.db2.gz WYLMEHVGHJGSFK-VHSXEESVSA-N 1 1 189.274 1.703 10 0 ADAEMO COC[C@@H](C)C[N@H+]1CCC[C@H](F)C1 652076743 409351254 /nfs/dbraw/zinc/35/12/54/409351254.db2.gz WYLMEHVGHJGSFK-UWVGGRQHSA-N 1 1 189.274 1.703 10 0 ADAEMO CC(=O)C[N@@H+](C)Cc1ccc(F)cc1 48014778 409368920 /nfs/dbraw/zinc/36/89/20/409368920.db2.gz KFRZEKPAGFHSPG-UHFFFAOYSA-N 1 1 195.237 1.847 10 0 ADAEMO CC(=O)C[N@H+](C)Cc1ccc(F)cc1 48014778 409368926 /nfs/dbraw/zinc/36/89/26/409368926.db2.gz KFRZEKPAGFHSPG-UHFFFAOYSA-N 1 1 195.237 1.847 10 0 ADAEMO CC(=O)C[N@H+](C)CCc1ccncc1 48260529 409369012 /nfs/dbraw/zinc/36/90/12/409369012.db2.gz CXQGSPBQBLZDFD-UHFFFAOYSA-N 1 1 192.262 1.145 10 0 ADAEMO CC(=O)C[N@@H+](C)CCc1ccncc1 48260529 409369019 /nfs/dbraw/zinc/36/90/19/409369019.db2.gz CXQGSPBQBLZDFD-UHFFFAOYSA-N 1 1 192.262 1.145 10 0 ADAEMO CC(C)C[N@@H+](CCO)C1CC1 48065407 409369425 /nfs/dbraw/zinc/36/94/25/409369425.db2.gz FNDPTEQFQGCUCD-UHFFFAOYSA-N 1 1 157.257 1.099 10 0 ADAEMO CCC[N@@H+](C)CCCc1cncn1C 653524056 409371634 /nfs/dbraw/zinc/37/16/34/409371634.db2.gz FVERZLSLMKSDOA-UHFFFAOYSA-N 1 1 195.310 1.695 10 0 ADAEMO CNC(=O)CCC[N@H+]1CCCC1(C)C 653542117 409371663 /nfs/dbraw/zinc/37/16/63/409371663.db2.gz GVFNQDXNYNEBIP-UHFFFAOYSA-N 1 1 198.310 1.387 10 0 ADAEMO CCCCC[N@H+]1CCC[C@@H](O)C1 49773408 409372047 /nfs/dbraw/zinc/37/20/47/409372047.db2.gz BSFOKHIRGHEXGU-SNVBAGLBSA-N 1 1 171.284 1.633 10 0 ADAEMO CC[C@@H](C)[C@@H]([NH3+])c1nc(COC)no1 49672075 409372115 /nfs/dbraw/zinc/37/21/15/409372115.db2.gz USJJPVDSTMOPJF-HTRCEHHLSA-N 1 1 199.254 1.262 10 0 ADAEMO C[N@@H+](CCC(C)(C)C1CC1)CC(N)=O 653494201 409372644 /nfs/dbraw/zinc/37/26/44/409372644.db2.gz UGJISMMUVJBLKV-UHFFFAOYSA-N 1 1 198.310 1.230 10 0 ADAEMO CCC[N@@H+](C)CCCC(=O)N(C)C 653523936 409372729 /nfs/dbraw/zinc/37/27/29/409372729.db2.gz CSELNOCTNLCDIT-UHFFFAOYSA-N 1 1 186.299 1.197 10 0 ADAEMO CCC[N@H+](C)Cc1cc(C(C)=O)no1 653524028 409372885 /nfs/dbraw/zinc/37/28/85/409372885.db2.gz FLDFFHLIMQVDBV-UHFFFAOYSA-N 1 1 196.250 1.719 10 0 ADAEMO CCC[N@@H+](C)Cc1cc(C(C)=O)no1 653524028 409372887 /nfs/dbraw/zinc/37/28/87/409372887.db2.gz FLDFFHLIMQVDBV-UHFFFAOYSA-N 1 1 196.250 1.719 10 0 ADAEMO CC[C@@H](C)[C@H]([NH3+])c1nc(COC)no1 49672073 409373424 /nfs/dbraw/zinc/37/34/24/409373424.db2.gz USJJPVDSTMOPJF-SVRRBLITSA-N 1 1 199.254 1.262 10 0 ADAEMO CC[C@H](C)[C@@H]([NH3+])c1nc(COC)no1 49672076 409374242 /nfs/dbraw/zinc/37/42/42/409374242.db2.gz USJJPVDSTMOPJF-POYBYMJQSA-N 1 1 199.254 1.262 10 0 ADAEMO CC[N@H+]1CCN(C)C2(CCCCC2)C1 653723959 409374390 /nfs/dbraw/zinc/37/43/90/409374390.db2.gz DNPNTVOUFINBJT-UHFFFAOYSA-N 1 1 196.338 1.957 10 0 ADAEMO CCN1CC[N@H+](C)C2(CCCCC2)C1 653723959 409374396 /nfs/dbraw/zinc/37/43/96/409374396.db2.gz DNPNTVOUFINBJT-UHFFFAOYSA-N 1 1 196.338 1.957 10 0 ADAEMO CCN1CC[N@@H+](C)C2(CCCCC2)C1 653723959 409374403 /nfs/dbraw/zinc/37/44/03/409374403.db2.gz DNPNTVOUFINBJT-UHFFFAOYSA-N 1 1 196.338 1.957 10 0 ADAEMO CCC[C@@H](O)C[N@@H+](C)CCC 50193266 409375819 /nfs/dbraw/zinc/37/58/19/409375819.db2.gz BHKZJMWYSLNYAZ-SECBINFHSA-N 1 1 159.273 1.489 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CCC[C@H](N)C1 49954059 409375912 /nfs/dbraw/zinc/37/59/12/409375912.db2.gz GLIOJIKHNWOOFM-MNOVXSKESA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@H](C)CN1CCC[C@H]([NH3+])C1 49954059 409375916 /nfs/dbraw/zinc/37/59/16/409375916.db2.gz GLIOJIKHNWOOFM-MNOVXSKESA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H](C)C[N@H+]1CCC[C@H](N)C1 49954060 409376550 /nfs/dbraw/zinc/37/65/50/409376550.db2.gz GLIOJIKHNWOOFM-QWRGUYRKSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H](C)CN1CCC[C@H]([NH3+])C1 49954060 409376556 /nfs/dbraw/zinc/37/65/56/409376556.db2.gz GLIOJIKHNWOOFM-QWRGUYRKSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@H](C)C[N@H+]1CC[C@H](N)C1 50228084 409376863 /nfs/dbraw/zinc/37/68/63/409376863.db2.gz DCTLWRVJMPZDLC-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCC[N@H+]1CCn2nncc2C1 653793581 409377230 /nfs/dbraw/zinc/37/72/30/409377230.db2.gz PWNBCITVCJVSDL-UHFFFAOYSA-N 1 1 194.282 1.284 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CC[C@H](N)C1 50228083 409377379 /nfs/dbraw/zinc/37/73/79/409377379.db2.gz DCTLWRVJMPZDLC-ZJUUUORDSA-N 1 1 170.300 1.456 10 0 ADAEMO O=C1CC[N@H+](CCCF)C2(CCC2)C1 653763918 409377381 /nfs/dbraw/zinc/37/73/81/409377381.db2.gz DRQKAIXSBHTCRB-UHFFFAOYSA-N 1 1 199.269 1.934 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CCn2nncc2C1 653793608 409377462 /nfs/dbraw/zinc/37/74/62/409377462.db2.gz YKLTXISMNAHAKI-SECBINFHSA-N 1 1 194.282 1.282 10 0 ADAEMO CC(=O)C[N@@H+](CCO)C1CCCCC1 50148327 409377495 /nfs/dbraw/zinc/37/74/95/409377495.db2.gz 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FZWMKJMYEBGYSP-SECBINFHSA-N 1 1 198.310 1.385 10 0 ADAEMO CC(C)[C@H]1CC[N@H+](CC[C@@H](C)O)C1 108298411 409458444 /nfs/dbraw/zinc/45/84/44/409458444.db2.gz FRBRBKWQGKTMMS-MNOVXSKESA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)[C@@H]1CC[N@H+](CC[C@@H](C)O)C1 108298408 409458544 /nfs/dbraw/zinc/45/85/44/409458544.db2.gz FRBRBKWQGKTMMS-GHMZBOCLSA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)C[N@H+]1CCC[C@@H]2COC[C@@H]21 657214740 409458782 /nfs/dbraw/zinc/45/87/82/409458782.db2.gz AUHJXCZXEOMFPD-MNOVXSKESA-N 1 1 183.295 1.753 10 0 ADAEMO CC(=O)C[N@@H+]1CC[C@@H](C(C)C)C1 108288387 409458857 /nfs/dbraw/zinc/45/88/57/409458857.db2.gz WVCRRISGAPKONN-SNVBAGLBSA-N 1 1 169.268 1.553 10 0 ADAEMO C[C@@H]([NH2+]C1CSC1)c1ccn(C)n1 657225409 409458983 /nfs/dbraw/zinc/45/89/83/409458983.db2.gz PLFQRCMOWLILHF-SSDOTTSWSA-N 1 1 197.307 1.186 10 0 ADAEMO C[N@@H+]1CCC[C@H]1CNCc1ccco1 107776409 409459143 /nfs/dbraw/zinc/45/91/43/409459143.db2.gz XEAZVRHWHQSNPZ-JTQLQIEISA-N 1 1 194.278 1.463 10 0 ADAEMO C[N@H+]1CCC[C@H]1CNCc1ccco1 107776409 409459149 /nfs/dbraw/zinc/45/91/49/409459149.db2.gz XEAZVRHWHQSNPZ-JTQLQIEISA-N 1 1 194.278 1.463 10 0 ADAEMO C[C@H]([NH2+]C1CSC1)c1ccn(C)n1 657225411 409459304 /nfs/dbraw/zinc/45/93/04/409459304.db2.gz PLFQRCMOWLILHF-ZETCQYMHSA-N 1 1 197.307 1.186 10 0 ADAEMO CC(=O)C[N@@H+]1CC[C@H](C(C)C)C1 108288389 409459687 /nfs/dbraw/zinc/45/96/87/409459687.db2.gz WVCRRISGAPKONN-JTQLQIEISA-N 1 1 169.268 1.553 10 0 ADAEMO FC1(C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC1 657224298 409459809 /nfs/dbraw/zinc/45/98/09/409459809.db2.gz WXQIXRFBSXQFGK-ZJUUUORDSA-N 1 1 199.269 1.599 10 0 ADAEMO Cc1nc(Cn2c[nH+]c(C)c2C)co1 657253966 409462110 /nfs/dbraw/zinc/46/21/10/409462110.db2.gz JGNJZOMWFRWTOC-UHFFFAOYSA-N 1 1 191.234 1.845 10 0 ADAEMO CCc1[nH+]ccn1C[C@@H](COC)OC 657254876 409462950 /nfs/dbraw/zinc/46/29/50/409462950.db2.gz DTZXXOQNQFZWBO-VIFPVBQESA-N 1 1 198.266 1.107 10 0 ADAEMO CCc1[nH+]ccn1C[C@H](COC)OC 657254874 409463040 /nfs/dbraw/zinc/46/30/40/409463040.db2.gz DTZXXOQNQFZWBO-SECBINFHSA-N 1 1 198.266 1.107 10 0 ADAEMO c1n[nH]cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 657260442 409463616 /nfs/dbraw/zinc/46/36/16/409463616.db2.gz NCDKKCFBKTZYTR-IUCAKERBSA-N 1 1 195.291 1.099 10 0 ADAEMO C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C[C@H]1CS2 657260742 409463898 /nfs/dbraw/zinc/46/38/98/409463898.db2.gz RJNWSBURVNNYIU-KATARQTJSA-N 1 1 183.320 1.832 10 0 ADAEMO C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2C[C@H]1CS2 657260743 409464212 /nfs/dbraw/zinc/46/42/12/409464212.db2.gz RJNWSBURVNNYIU-XKNYDFJKSA-N 1 1 183.320 1.832 10 0 ADAEMO C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[C@H]1CS2 657260741 409464500 /nfs/dbraw/zinc/46/45/00/409464500.db2.gz RJNWSBURVNNYIU-JXUBOQSCSA-N 1 1 183.320 1.832 10 0 ADAEMO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[C@H]1CS2 657260740 409464590 /nfs/dbraw/zinc/46/45/90/409464590.db2.gz RJNWSBURVNNYIU-IMSYWVGJSA-N 1 1 183.320 1.832 10 0 ADAEMO CC(=O)C[N@@H+]1CCS[C@@H](C)C1 123590515 409467817 /nfs/dbraw/zinc/46/78/17/409467817.db2.gz QXVZIPXQRIJMIC-QMMMGPOBSA-N 1 1 173.281 1.013 10 0 ADAEMO CC(=O)C[N@H+]1CCS[C@@H](C)C1 123590515 409467820 /nfs/dbraw/zinc/46/78/20/409467820.db2.gz QXVZIPXQRIJMIC-QMMMGPOBSA-N 1 1 173.281 1.013 10 0 ADAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC[NH3+] 124428891 409469385 /nfs/dbraw/zinc/46/93/85/409469385.db2.gz CLWGYSMMNJILHQ-NXEZZACHSA-N 1 1 170.300 1.598 10 0 ADAEMO CO[C@H](C)C[N@H+]1CCC[C@@H]2COC[C@@H]21 657294569 409469447 /nfs/dbraw/zinc/46/94/47/409469447.db2.gz HTMFSDRKYPAGQT-MXWKQRLJSA-N 1 1 199.294 1.132 10 0 ADAEMO CO[C@@H](C)C[N@H+]1CCC[C@@H]2COC[C@@H]21 657294567 409469524 /nfs/dbraw/zinc/46/95/24/409469524.db2.gz HTMFSDRKYPAGQT-AXFHLTTASA-N 1 1 199.294 1.132 10 0 ADAEMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC[NH3+] 124429110 409469584 /nfs/dbraw/zinc/46/95/84/409469584.db2.gz CLWGYSMMNJILHQ-ZJUUUORDSA-N 1 1 170.300 1.598 10 0 ADAEMO C1C[C@@H]2COC[C@@H]2[N@@H+](CCC2CC2)C1 657294454 409469692 /nfs/dbraw/zinc/46/96/92/409469692.db2.gz DRRKLGFXKVZJAH-NEPJUHHUSA-N 1 1 195.306 1.897 10 0 ADAEMO Cc1cccc(C[N@H+](C)[C@@H](C)CO)n1 124672966 409470326 /nfs/dbraw/zinc/47/03/26/409470326.db2.gz FXLMFPAINLJOPH-JTQLQIEISA-N 1 1 194.278 1.203 10 0 ADAEMO CC[C@H]1CC[C@H](C)[N@H+]1CCC[NH3+] 124428680 409470351 /nfs/dbraw/zinc/47/03/51/409470351.db2.gz CLWGYSMMNJILHQ-UWVGGRQHSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC[NH3+] 124428451 409471070 /nfs/dbraw/zinc/47/10/70/409471070.db2.gz CLWGYSMMNJILHQ-VHSXEESVSA-N 1 1 170.300 1.598 10 0 ADAEMO CC[C@H]1C[C@H](NCc2cc[nH]n2)CO1 657353657 409471468 /nfs/dbraw/zinc/47/14/68/409471468.db2.gz IRNLTAADOMGKQP-UWVGGRQHSA-N 1 1 195.266 1.067 10 0 ADAEMO CC[C@H]1C[C@H]([NH2+]Cc2cocn2)CO1 657355646 409471742 /nfs/dbraw/zinc/47/17/42/409471742.db2.gz XYZWGIWZQDUWBX-WPRPVWTQSA-N 1 1 196.250 1.332 10 0 ADAEMO CC[C@@H]1C[C@H]([NH2+]Cc2cocn2)CO1 657355645 409472101 /nfs/dbraw/zinc/47/21/01/409472101.db2.gz XYZWGIWZQDUWBX-WCBMZHEXSA-N 1 1 196.250 1.332 10 0 ADAEMO CC[C@@H]1C[C@@H]([NH2+]Cc2cocn2)CO1 657355643 409472109 /nfs/dbraw/zinc/47/21/09/409472109.db2.gz XYZWGIWZQDUWBX-PSASIEDQSA-N 1 1 196.250 1.332 10 0 ADAEMO CC[C@H]1C[C@@H]([NH2+]Cc2cocn2)CO1 657355644 409472265 /nfs/dbraw/zinc/47/22/65/409472265.db2.gz XYZWGIWZQDUWBX-SCZZXKLOSA-N 1 1 196.250 1.332 10 0 ADAEMO CC[C@H]1C[C@@H](NCc2cc[nH]n2)CO1 657353660 409472627 /nfs/dbraw/zinc/47/26/27/409472627.db2.gz IRNLTAADOMGKQP-ZJUUUORDSA-N 1 1 195.266 1.067 10 0 ADAEMO CC[C@@H]1C[C@@H](NCc2cc[nH]n2)CO1 657353654 409472686 /nfs/dbraw/zinc/47/26/86/409472686.db2.gz IRNLTAADOMGKQP-NXEZZACHSA-N 1 1 195.266 1.067 10 0 ADAEMO CC[C@@H]1C[C@H](NCc2cc[nH]n2)CO1 657353658 409472769 /nfs/dbraw/zinc/47/27/69/409472769.db2.gz IRNLTAADOMGKQP-VHSXEESVSA-N 1 1 195.266 1.067 10 0 ADAEMO CCC[C@H](C)C[N@@H+](C)[C@@H](C)CN 125539465 409473140 /nfs/dbraw/zinc/47/31/40/409473140.db2.gz PZZHJGOINHVJNJ-UWVGGRQHSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[C@H](C)CN(C)[C@@H](C)C[NH3+] 125539465 409473142 /nfs/dbraw/zinc/47/31/42/409473142.db2.gz PZZHJGOINHVJNJ-UWVGGRQHSA-N 1 1 172.316 1.702 10 0 ADAEMO C1C[C@@H](C[N@H+]2C[C@@H]3C[C@H]2CS3)CO1 657393356 409473471 /nfs/dbraw/zinc/47/34/71/409473471.db2.gz FKVCTZOKXMCKID-GUBZILKMSA-N 1 1 199.319 1.213 10 0 ADAEMO COCCC[N@H+]1C[C@@H]2C[C@H]1CS2 657393369 409473433 /nfs/dbraw/zinc/47/34/33/409473433.db2.gz HUMATVFKGALJSW-IUCAKERBSA-N 1 1 187.308 1.213 10 0 ADAEMO CCC[C@@H](C)CN(C)[C@@H](C)C[NH3+] 125539241 409473927 /nfs/dbraw/zinc/47/39/27/409473927.db2.gz PZZHJGOINHVJNJ-ZJUUUORDSA-N 1 1 172.316 1.702 10 0 ADAEMO CCC[C@@H](C)C[N@@H+](C)[C@@H](C)CN 125539241 409473923 /nfs/dbraw/zinc/47/39/23/409473923.db2.gz PZZHJGOINHVJNJ-ZJUUUORDSA-N 1 1 172.316 1.702 10 0 ADAEMO CC1(C[N@H+]2C[C@@H]3C[C@H]2CS3)COC1 657394490 409473994 /nfs/dbraw/zinc/47/39/94/409473994.db2.gz XDHQWNAKLWHEOH-IUCAKERBSA-N 1 1 199.319 1.213 10 0 ADAEMO CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CS2 657393392 409474089 /nfs/dbraw/zinc/47/40/89/409474089.db2.gz MKCMFRBIHKEXBV-VGMNWLOBSA-N 1 1 187.308 1.211 10 0 ADAEMO C1C[C@H](C[N@H+]2C[C@@H]3C[C@H]2CS3)CO1 657393359 409474134 /nfs/dbraw/zinc/47/41/34/409474134.db2.gz FKVCTZOKXMCKID-UTLUCORTSA-N 1 1 199.319 1.213 10 0 ADAEMO CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CS2 657393390 409474159 /nfs/dbraw/zinc/47/41/59/409474159.db2.gz MKCMFRBIHKEXBV-CIUDSAMLSA-N 1 1 187.308 1.211 10 0 ADAEMO FCCCC[N@H+]1C[C@@H]2C[C@H]1CS2 657393350 409474445 /nfs/dbraw/zinc/47/44/45/409474445.db2.gz DFZLGGMQBBMWGL-IUCAKERBSA-N 1 1 189.299 1.926 10 0 ADAEMO CCOCC[N@H+]1C[C@@H]2C[C@H]1CS2 657393394 409474731 /nfs/dbraw/zinc/47/47/31/409474731.db2.gz MVRMIEFLSKDZIY-IUCAKERBSA-N 1 1 187.308 1.213 10 0 ADAEMO C1CO[C@@H](C[N@H+]2C[C@@H]3C[C@H]2CS3)C1 657399258 409475880 /nfs/dbraw/zinc/47/58/80/409475880.db2.gz QVROPKSCAGDAIR-AEJSXWLSSA-N 1 1 199.319 1.355 10 0 ADAEMO C1CO[C@H](C[N@H+]2C[C@@H]3C[C@H]2CS3)C1 657399259 409476321 /nfs/dbraw/zinc/47/63/21/409476321.db2.gz QVROPKSCAGDAIR-GUBZILKMSA-N 1 1 199.319 1.355 10 0 ADAEMO C[C@@H](C[NH+](C)C)NCC1(F)CC1 657465601 409477187 /nfs/dbraw/zinc/47/71/87/409477187.db2.gz VOXDZIUHTYLARX-QMMMGPOBSA-N 1 1 174.263 1.028 10 0 ADAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H](N)C1 130829555 409483265 /nfs/dbraw/zinc/48/32/65/409483265.db2.gz DCTLWRVJMPZDLC-NXEZZACHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](N)C1 130829771 409483652 /nfs/dbraw/zinc/48/36/52/409483652.db2.gz DCTLWRVJMPZDLC-VHSXEESVSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H]1CCC[N@H+]1CC1(O)CCC1 130869691 409484117 /nfs/dbraw/zinc/48/41/17/409484117.db2.gz YAZXIVUJOBXIHN-SECBINFHSA-N 1 1 169.268 1.386 10 0 ADAEMO CCO[C@H]1C[C@H]([NH2+]Cc2cocn2)C1 657610076 409486014 /nfs/dbraw/zinc/48/60/14/409486014.db2.gz OUBFMICAAOZCNZ-CZMCAQCFSA-N 1 1 196.250 1.332 10 0 ADAEMO Cc1[nH]ncc1C[NH2+][C@H]1[C@H]2CCC[C@H]21 657739204 409491643 /nfs/dbraw/zinc/49/16/43/409491643.db2.gz ZDWZZDDJXUJKSC-JGPRNRPPSA-N 1 1 191.278 1.606 10 0 ADAEMO Cc1c[nH]nc1C[NH2+][C@H]1[C@H]2CCC[C@H]21 657734105 409491725 /nfs/dbraw/zinc/49/17/25/409491725.db2.gz FMANNWUVNFXIOC-DOFRTFSJSA-N 1 1 191.278 1.606 10 0 ADAEMO c1cc(C[NH2+][C@H]2[C@H]3CCC[C@H]32)[nH]n1 657733540 409492016 /nfs/dbraw/zinc/49/20/16/409492016.db2.gz IFDWFFPNZPRIBL-ILWJIGKKSA-N 1 1 177.251 1.298 10 0 ADAEMO C[C@@H]([NH2+]Cc1c[nH]cn1)C(C)(C)C 132847606 409492517 /nfs/dbraw/zinc/49/25/17/409492517.db2.gz UOJSPWWWXYGBNU-MRVPVSSYSA-N 1 1 181.283 1.934 10 0 ADAEMO C[C@H]1C[N@H+]([C@@H]2CCC[C@H]2O)C[C@@H](C)O1 133297024 409494889 /nfs/dbraw/zinc/49/48/89/409494889.db2.gz RXDJMFGLRZRFCA-LMLFDSFASA-N 1 1 199.294 1.009 10 0 ADAEMO Cc1c[nH]nc1C[NH2+]C1CC(C)(C)C1 657802174 409495211 /nfs/dbraw/zinc/49/52/11/409495211.db2.gz TXJRLWCFXIELIW-UHFFFAOYSA-N 1 1 193.294 1.996 10 0 ADAEMO C[C@@H]([NH2+]CC1(F)CC1)c1nccn1C 657794265 409495234 /nfs/dbraw/zinc/49/52/34/409495234.db2.gz QDOKNVIGZZKGLY-MRVPVSSYSA-N 1 1 197.257 1.573 10 0 ADAEMO C[C@H]([NH2+]CC1(F)CC1)c1nccn1C 657794266 409495579 /nfs/dbraw/zinc/49/55/79/409495579.db2.gz QDOKNVIGZZKGLY-QMMMGPOBSA-N 1 1 197.257 1.573 10 0 ADAEMO CC(C)[C@@H](O)C[N@H+]1CC[C@H](C(C)C)C1 134030752 409498381 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VWIGMXDGVBTMKI-UHFFFAOYSA-N 1 1 181.279 1.509 10 0 ADAEMO CC[C@@H](C[N@H+]1CCC2(COC2)C1)OC 662074924 409689719 /nfs/dbraw/zinc/68/97/19/409689719.db2.gz TXGHUDTXPYPBSG-JTQLQIEISA-N 1 1 199.294 1.134 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCc2nccnc2C1 662122157 409689760 /nfs/dbraw/zinc/68/97/60/409689760.db2.gz VZCYMXZDTSZXSB-SECBINFHSA-N 1 1 191.278 1.633 10 0 ADAEMO CC[C@H](C[N@H+]1CCC2(COC2)C1)OC 662074925 409689833 /nfs/dbraw/zinc/68/98/33/409689833.db2.gz TXGHUDTXPYPBSG-SNVBAGLBSA-N 1 1 199.294 1.134 10 0 ADAEMO C1=C[C@H]([N@H+]2CCC3(COC3)C2)CCC1 662076113 409689975 /nfs/dbraw/zinc/68/99/75/409689975.db2.gz SXBBNBGYGIVEAQ-NSHDSACASA-N 1 1 193.290 1.817 10 0 ADAEMO CCC[N@H+]1CCc2nccnc2C1 662125744 409690146 /nfs/dbraw/zinc/69/01/46/409690146.db2.gz RFCIBNJBWPXVRK-UHFFFAOYSA-N 1 1 177.251 1.245 10 0 ADAEMO C1=C[C@@H]([N@H+]2CCC3(COC3)C2)CCC1 662076112 409690161 /nfs/dbraw/zinc/69/01/61/409690161.db2.gz SXBBNBGYGIVEAQ-LLVKDONJSA-N 1 1 193.290 1.817 10 0 ADAEMO CC[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 662116819 409690312 /nfs/dbraw/zinc/69/03/12/409690312.db2.gz JEYWIAVAPQITDG-JTQLQIEISA-N 1 1 198.310 1.243 10 0 ADAEMO CC(C)=CC[N@H+]1CCC2(COC2)C1 662075035 409690389 /nfs/dbraw/zinc/69/03/89/409690389.db2.gz VTEDQGSTSWAUDT-UHFFFAOYSA-N 1 1 181.279 1.675 10 0 ADAEMO FCCC[N@H+]1CCC2(COC2)C1 662075464 409690407 /nfs/dbraw/zinc/69/04/07/409690407.db2.gz ZNKJJBJCTTYSOY-UHFFFAOYSA-N 1 1 173.231 1.068 10 0 ADAEMO CC(C)C[N@H+]1CCc2nccnc2C1 662125697 409690458 /nfs/dbraw/zinc/69/04/58/409690458.db2.gz QEGQFXNITKZFLT-UHFFFAOYSA-N 1 1 191.278 1.491 10 0 ADAEMO CCCC[N@H+]1CCC2(COC2)C1 662076267 409690526 /nfs/dbraw/zinc/69/05/26/409690526.db2.gz YVRCWGRXOOMVNS-UHFFFAOYSA-N 1 1 169.268 1.509 10 0 ADAEMO CC[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 662113693 409690598 /nfs/dbraw/zinc/69/05/98/409690598.db2.gz JEYWIAVAPQITDG-SNVBAGLBSA-N 1 1 198.310 1.243 10 0 ADAEMO CC[C@H](C)[N@H+]1CCc2nccnc2C1 662122158 409690656 /nfs/dbraw/zinc/69/06/56/409690656.db2.gz VZCYMXZDTSZXSB-VIFPVBQESA-N 1 1 191.278 1.633 10 0 ADAEMO CC(C)C[N@H+]1CCC2(COC2)C1 662076271 409690719 /nfs/dbraw/zinc/69/07/19/409690719.db2.gz YXPDBUICXLIWFB-UHFFFAOYSA-N 1 1 169.268 1.365 10 0 ADAEMO CCCC[N@H+]1CCc2nccnc2C1 662123672 409690773 /nfs/dbraw/zinc/69/07/73/409690773.db2.gz ARVMZVPFDNAWBB-UHFFFAOYSA-N 1 1 191.278 1.635 10 0 ADAEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](C)CO 662129582 409690927 /nfs/dbraw/zinc/69/09/27/409690927.db2.gz HUARAZLZQHEJSY-RDFFEMEHSA-N 1 1 197.322 1.878 10 0 ADAEMO NC[C@@H]1CCC[N@@H+]1CCCCCF 308178461 409691015 /nfs/dbraw/zinc/69/10/15/409691015.db2.gz GGNTVZWWFFBYJS-JTQLQIEISA-N 1 1 188.290 1.549 10 0 ADAEMO NC[C@@H]1CCC[N@H+]1CCCCCF 308178461 409691019 /nfs/dbraw/zinc/69/10/19/409691019.db2.gz GGNTVZWWFFBYJS-JTQLQIEISA-N 1 1 188.290 1.549 10 0 ADAEMO CCOCCC[N@H+]1CCC2(COC2)C1 662075733 409691114 /nfs/dbraw/zinc/69/11/14/409691114.db2.gz JQLDFWKMZQMAOF-UHFFFAOYSA-N 1 1 199.294 1.135 10 0 ADAEMO c1cnc2c(n1)CC[N@H+](CC1CC1)C2 662125548 409691324 /nfs/dbraw/zinc/69/13/24/409691324.db2.gz VXMONDWCGSOXIB-UHFFFAOYSA-N 1 1 189.262 1.245 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](C)[C@](C)(CO)C1 662143067 409692304 /nfs/dbraw/zinc/69/23/04/409692304.db2.gz KOGRIGLWGNBSLL-DCAQKATOSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CO)C1 662143077 409692916 /nfs/dbraw/zinc/69/29/16/409692916.db2.gz KOGRIGLWGNBSLL-VWYCJHECSA-N 1 1 185.311 1.735 10 0 ADAEMO C[C@@H]1C[N@@H+](CCCF)C[C@@]1(C)CO 662139253 409693041 /nfs/dbraw/zinc/69/30/41/409693041.db2.gz FJFSVNVXSWPZKZ-ZJUUUORDSA-N 1 1 189.274 1.296 10 0 ADAEMO C[C@H]1C[N@@H+](CCCF)C[C@@]1(C)CO 662139250 409693268 /nfs/dbraw/zinc/69/32/68/409693268.db2.gz FJFSVNVXSWPZKZ-UWVGGRQHSA-N 1 1 189.274 1.296 10 0 ADAEMO C[C@@H]1C[N@@H+](CCCF)C[C@]1(C)CO 662139249 409693742 /nfs/dbraw/zinc/69/37/42/409693742.db2.gz FJFSVNVXSWPZKZ-NXEZZACHSA-N 1 1 189.274 1.296 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 662143070 409694086 /nfs/dbraw/zinc/69/40/86/409694086.db2.gz KOGRIGLWGNBSLL-GARJFASQSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 662143073 409694340 /nfs/dbraw/zinc/69/43/40/409694340.db2.gz KOGRIGLWGNBSLL-OUAUKWLOSA-N 1 1 185.311 1.735 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 662140931 409694612 /nfs/dbraw/zinc/69/46/12/409694612.db2.gz GQBOJKKAKMNGEN-GRYCIOLGSA-N 1 1 199.338 1.981 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@H](C)[C@](C)(CO)C1 662140935 409694684 /nfs/dbraw/zinc/69/46/84/409694684.db2.gz GQBOJKKAKMNGEN-SRVKXCTJSA-N 1 1 199.338 1.981 10 0 ADAEMO CCC[N@@H+](C)Cc1cc(C)ncn1 308207456 409695032 /nfs/dbraw/zinc/69/50/32/409695032.db2.gz DDNGUMYFTUDIRR-UHFFFAOYSA-N 1 1 179.267 1.627 10 0 ADAEMO C[C@H]1C[N@@H+](CCCF)C[C@]1(C)CO 662139251 409695339 /nfs/dbraw/zinc/69/53/39/409695339.db2.gz FJFSVNVXSWPZKZ-VHSXEESVSA-N 1 1 189.274 1.296 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 662140933 409695389 /nfs/dbraw/zinc/69/53/89/409695389.db2.gz GQBOJKKAKMNGEN-SDDRHHMPSA-N 1 1 199.338 1.981 10 0 ADAEMO CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CO)C1 662140937 409695555 /nfs/dbraw/zinc/69/55/55/409695555.db2.gz GQBOJKKAKMNGEN-WOPDTQHZSA-N 1 1 199.338 1.981 10 0 ADAEMO C[C@@H](O)C[N@@H+](CCC1CC1)CC1CC1 662177765 409696649 /nfs/dbraw/zinc/69/66/49/409696649.db2.gz NUOJJPXEYITWEZ-SNVBAGLBSA-N 1 1 197.322 1.879 10 0 ADAEMO CCCN(C)CC(C)(C)[NH2+]CCF 662177937 409698880 /nfs/dbraw/zinc/69/88/80/409698880.db2.gz NKCLHVYXXAWBEA-UHFFFAOYSA-N 1 1 190.306 1.666 10 0 ADAEMO CCC[N@@H+](C)CC(C)(C)NCCF 662177937 409698874 /nfs/dbraw/zinc/69/88/74/409698874.db2.gz NKCLHVYXXAWBEA-UHFFFAOYSA-N 1 1 190.306 1.666 10 0 ADAEMO OCCC[N@@H+](CCC1CC1)CC1CC1 662180012 409698946 /nfs/dbraw/zinc/69/89/46/409698946.db2.gz XAXQTRFIFRBWRS-UHFFFAOYSA-N 1 1 197.322 1.881 10 0 ADAEMO [NH3+][C@@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662235750 409702507 /nfs/dbraw/zinc/70/25/07/409702507.db2.gz SFWZBCBJDVLPJK-WRWGMCAJSA-N 1 1 194.322 1.456 10 0 ADAEMO C[C@H](O)C[N@@H+](CCC1CC1)CC1CC1 662177764 409699477 /nfs/dbraw/zinc/69/94/77/409699477.db2.gz NUOJJPXEYITWEZ-JTQLQIEISA-N 1 1 197.322 1.879 10 0 ADAEMO C[C@H]([NH2+]C(C1CC1)C1CC1)[C@@H](C)N 308215181 409699974 /nfs/dbraw/zinc/69/99/74/409699974.db2.gz ZESPEPHWPIMKNF-SFYZADRCSA-N 1 1 182.311 1.500 10 0 ADAEMO CC[C@H]1CC[N@H+]1CCOCCOC 308225900 409700012 /nfs/dbraw/zinc/70/00/12/409700012.db2.gz MWLLICIXLBJGAA-JTQLQIEISA-N 1 1 187.283 1.134 10 0 ADAEMO C[C@H](N)[C@H](C)[NH2+]C(C1CC1)C1CC1 308215182 409700182 /nfs/dbraw/zinc/70/01/82/409700182.db2.gz ZESPEPHWPIMKNF-YUMQZZPRSA-N 1 1 182.311 1.500 10 0 ADAEMO C[C@H](N)[C@@H](C)[NH2+]C(C1CC1)C1CC1 308215180 409700374 /nfs/dbraw/zinc/70/03/74/409700374.db2.gz ZESPEPHWPIMKNF-JGVFFNPUSA-N 1 1 182.311 1.500 10 0 ADAEMO CC[C@@H]1CC[N@H+]1CCn1cccn1 308215114 409700627 /nfs/dbraw/zinc/70/06/27/409700627.db2.gz IVNRURUPPHPENY-SNVBAGLBSA-N 1 1 179.267 1.367 10 0 ADAEMO C1CNCC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662240967 409700857 /nfs/dbraw/zinc/70/08/57/409700857.db2.gz OESPUJJANMRWLE-ZSBIGDGJSA-N 1 1 194.322 1.328 10 0 ADAEMO C1C[NH2+]CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662240967 409700866 /nfs/dbraw/zinc/70/08/66/409700866.db2.gz OESPUJJANMRWLE-ZSBIGDGJSA-N 1 1 194.322 1.328 10 0 ADAEMO NC[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]2C[C@@H]2C1 662244458 409701154 /nfs/dbraw/zinc/70/11/54/409701154.db2.gz HBVDBFVFLVDDTG-USZNOCQGSA-N 1 1 194.322 1.456 10 0 ADAEMO CC[C@@H]1CC[N@H+]1CCOCCOC 308225902 409701234 /nfs/dbraw/zinc/70/12/34/409701234.db2.gz MWLLICIXLBJGAA-SNVBAGLBSA-N 1 1 187.283 1.134 10 0 ADAEMO CC[C@H]1CC[N@H+]1CCn1cccn1 308215113 409701261 /nfs/dbraw/zinc/70/12/61/409701261.db2.gz IVNRURUPPHPENY-JTQLQIEISA-N 1 1 179.267 1.367 10 0 ADAEMO C[C@@H](N)[C@@H](C)[NH2+]C(C1CC1)C1CC1 308215179 409701298 /nfs/dbraw/zinc/70/12/98/409701298.db2.gz ZESPEPHWPIMKNF-HTQZYQBOSA-N 1 1 182.311 1.500 10 0 ADAEMO N[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662235748 409701315 /nfs/dbraw/zinc/70/13/15/409701315.db2.gz SFWZBCBJDVLPJK-USZNOCQGSA-N 1 1 194.322 1.456 10 0 ADAEMO [NH3+][C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662235748 409701327 /nfs/dbraw/zinc/70/13/27/409701327.db2.gz SFWZBCBJDVLPJK-USZNOCQGSA-N 1 1 194.322 1.456 10 0 ADAEMO CC(C)=CCC[N@H+](C)[C@H](C)CN 662242533 409701407 /nfs/dbraw/zinc/70/14/07/409701407.db2.gz BGHIZPVSFDTJHT-SNVBAGLBSA-N 1 1 170.300 1.622 10 0 ADAEMO CC(C)=CCCN(C)[C@H](C)C[NH3+] 662242533 409701412 /nfs/dbraw/zinc/70/14/12/409701412.db2.gz BGHIZPVSFDTJHT-SNVBAGLBSA-N 1 1 170.300 1.622 10 0 ADAEMO C[C@@H](CN)[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 662246293 409701805 /nfs/dbraw/zinc/70/18/05/409701805.db2.gz VRLNYURTKGGDTL-MMWGEVLESA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@@H](C[NH3+])N(C)C[C@H]1C[C@@H]2C[C@@H]2C1 662246293 409701811 /nfs/dbraw/zinc/70/18/11/409701811.db2.gz VRLNYURTKGGDTL-MMWGEVLESA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@H](CN)[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 662246286 409702344 /nfs/dbraw/zinc/70/23/44/409702344.db2.gz VRLNYURTKGGDTL-CHWFTXMASA-N 1 1 182.311 1.312 10 0 ADAEMO C[C@H](C[NH3+])N(C)C[C@H]1C[C@@H]2C[C@@H]2C1 662246286 409702350 /nfs/dbraw/zinc/70/23/50/409702350.db2.gz VRLNYURTKGGDTL-CHWFTXMASA-N 1 1 182.311 1.312 10 0 ADAEMO N[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662235750 409702504 /nfs/dbraw/zinc/70/25/04/409702504.db2.gz SFWZBCBJDVLPJK-WRWGMCAJSA-N 1 1 194.322 1.456 10 0 ADAEMO CC(C)=CCC[N@H+](C)[C@@H](C)CN 662242532 409702592 /nfs/dbraw/zinc/70/25/92/409702592.db2.gz BGHIZPVSFDTJHT-JTQLQIEISA-N 1 1 170.300 1.622 10 0 ADAEMO CC(C)=CCCN(C)[C@@H](C)C[NH3+] 662242532 409702598 /nfs/dbraw/zinc/70/25/98/409702598.db2.gz BGHIZPVSFDTJHT-JTQLQIEISA-N 1 1 170.300 1.622 10 0 ADAEMO NC[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]2C[C@@H]2C1 662244462 409702818 /nfs/dbraw/zinc/70/28/18/409702818.db2.gz HBVDBFVFLVDDTG-WRWGMCAJSA-N 1 1 194.322 1.456 10 0 ADAEMO C[C@@H]1C[C@H]([NH2+]CCCN(C)C)[C@@H]1C 308266326 409703042 /nfs/dbraw/zinc/70/30/42/409703042.db2.gz QAQNQDSIKHTTNG-MXWKQRLJSA-N 1 1 184.327 1.572 10 0 ADAEMO C[C@H](O)C[N@@H+](C)C[C@H](C)C(C)(C)C 308252829 409703318 /nfs/dbraw/zinc/70/33/18/409703318.db2.gz ISWFVAPBWSVMCL-UWVGGRQHSA-N 1 1 187.327 1.981 10 0 ADAEMO C[C@@H]1C[C@@H]([NH2+]CCCN(C)C)[C@@H]1C 308266325 409703661 /nfs/dbraw/zinc/70/36/61/409703661.db2.gz QAQNQDSIKHTTNG-GMTAPVOTSA-N 1 1 184.327 1.572 10 0 ADAEMO C[C@H]1[C@H](C)C[C@H]1[NH2+]CCCN(C)C 308266327 409703696 /nfs/dbraw/zinc/70/36/96/409703696.db2.gz QAQNQDSIKHTTNG-OUAUKWLOSA-N 1 1 184.327 1.572 10 0 ADAEMO CC[C@H]1CC[N@H+]1CCOCC1CC1 308238610 409703772 /nfs/dbraw/zinc/70/37/72/409703772.db2.gz RTBNIGOQQNOIFE-NSHDSACASA-N 1 1 183.295 1.897 10 0 ADAEMO C[C@@H]1[C@@H]([NH2+]CCCN(C)C)C[C@H]1C 308266328 409703984 /nfs/dbraw/zinc/70/39/84/409703984.db2.gz QAQNQDSIKHTTNG-VWYCJHECSA-N 1 1 184.327 1.572 10 0 ADAEMO CC[C@@H]1CC[N@H+]1CCOCC1CC1 308238607 409704701 /nfs/dbraw/zinc/70/47/01/409704701.db2.gz RTBNIGOQQNOIFE-LLVKDONJSA-N 1 1 183.295 1.897 10 0 ADAEMO CC(C)=CCC[N@@H+](C)CCN 662280263 409710257 /nfs/dbraw/zinc/71/02/57/409710257.db2.gz 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1.374 10 0 ADAEMO CC1(CNCC23CC(C[NH2+]2)C3)CCC1 663501281 409786846 /nfs/dbraw/zinc/78/68/46/409786846.db2.gz UNLZXAKJYTXGQK-UHFFFAOYSA-N 1 1 194.322 1.518 10 0 ADAEMO CNC[C@@H](C)[NH2+][C@H]1CCCSC1 663509725 409787679 /nfs/dbraw/zinc/78/76/79/409787679.db2.gz LVTWWDUKQHYXIU-BDAKNGLRSA-N 1 1 188.340 1.080 10 0 ADAEMO CNC[C@H](C)[NH2+][C@H]1CCCSC1 663509729 409788292 /nfs/dbraw/zinc/78/82/92/409788292.db2.gz LVTWWDUKQHYXIU-IUCAKERBSA-N 1 1 188.340 1.080 10 0 ADAEMO CNC[C@H](C)[NH2+][C@@H]1CCCSC1 663509727 409789865 /nfs/dbraw/zinc/78/98/65/409789865.db2.gz LVTWWDUKQHYXIU-DTWKUNHWSA-N 1 1 188.340 1.080 10 0 ADAEMO CNC[C@@H](C)[NH2+][C@@H]1CCCSC1 663509732 409790904 /nfs/dbraw/zinc/79/09/04/409790904.db2.gz LVTWWDUKQHYXIU-RKDXNWHRSA-N 1 1 188.340 1.080 10 0 ADAEMO CNC[C@H](C)[NH2+]CC1(C)CCC1 663515074 409793364 /nfs/dbraw/zinc/79/33/64/409793364.db2.gz ZMZXTPMLAUFENL-VIFPVBQESA-N 1 1 170.300 1.374 10 0 ADAEMO CNC[C@@H](C)[NH2+]CC1(C)CCC1 663515073 409793527 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/nfs/dbraw/zinc/82/73/97/409827397.db2.gz GDTKWVIGKGRZNA-UHFFFAOYSA-N 1 1 171.284 1.943 10 0 ADAEMO CC[N@@H+](CCCF)[C@@H]1CCOC1 379333479 409828921 /nfs/dbraw/zinc/82/89/21/409828921.db2.gz KTFSPIYQHQIARJ-SECBINFHSA-N 1 1 175.247 1.457 10 0 ADAEMO Cc1[nH]ncc1C[NH2+]CCCCF 379348034 409829363 /nfs/dbraw/zinc/82/93/63/409829363.db2.gz JADZUWCYZHMLNU-UHFFFAOYSA-N 1 1 185.246 1.557 10 0 ADAEMO CC[N@@H+](CCCF)[C@H]1CCOC1 379333481 409830297 /nfs/dbraw/zinc/83/02/97/409830297.db2.gz KTFSPIYQHQIARJ-VIFPVBQESA-N 1 1 175.247 1.457 10 0 ADAEMO Cc1cc(C[N@H+](C)[C@@H](C)CO)cs1 379355959 409832751 /nfs/dbraw/zinc/83/27/51/409832751.db2.gz MQROCSLZDPUWIY-QMMMGPOBSA-N 1 1 199.319 1.869 10 0 ADAEMO COCC[N@H+]1CCO[C@H](C2CCC2)C1 664827099 409834342 /nfs/dbraw/zinc/83/43/42/409834342.db2.gz SKLSSMPQQVWWCS-NSHDSACASA-N 1 1 199.294 1.134 10 0 ADAEMO COCC[N@H+]1CCO[C@@H](C2CCC2)C1 664827098 409834607 /nfs/dbraw/zinc/83/46/07/409834607.db2.gz SKLSSMPQQVWWCS-LLVKDONJSA-N 1 1 199.294 1.134 10 0 ADAEMO CC[C@@H]1CC[N@H+]1CC[C@@H]1CCOC1 379368468 409834665 /nfs/dbraw/zinc/83/46/65/409834665.db2.gz YIXIXXLBSOIHNU-GHMZBOCLSA-N 1 1 183.295 1.897 10 0 ADAEMO CC[N@@H+](CCCCF)[C@H]1CCOC1 379368119 409834710 /nfs/dbraw/zinc/83/47/10/409834710.db2.gz WXFJKINHWQRGTJ-JTQLQIEISA-N 1 1 189.274 1.847 10 0 ADAEMO CC(C)C[N@H+]1CCCc2n[nH]cc2C1 664864508 409834940 /nfs/dbraw/zinc/83/49/40/409834940.db2.gz RLFMSSSNCWINCP-UHFFFAOYSA-N 1 1 193.294 1.814 10 0 ADAEMO CC(C)C[N@H+]1CCCc2[nH]ncc2C1 664864508 409834948 /nfs/dbraw/zinc/83/49/48/409834948.db2.gz RLFMSSSNCWINCP-UHFFFAOYSA-N 1 1 193.294 1.814 10 0 ADAEMO CC[C@H]1CC[N@H+]1CC[C@@H]1CCOC1 379368470 409834954 /nfs/dbraw/zinc/83/49/54/409834954.db2.gz YIXIXXLBSOIHNU-MNOVXSKESA-N 1 1 183.295 1.897 10 0 ADAEMO CC[C@@H]1CC[N@H+]1CC[C@H]1CCOC1 379368472 409835204 /nfs/dbraw/zinc/83/52/04/409835204.db2.gz YIXIXXLBSOIHNU-WDEREUQCSA-N 1 1 183.295 1.897 10 0 ADAEMO CC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 664868767 409835368 /nfs/dbraw/zinc/83/53/68/409835368.db2.gz POGLGGILTVPQGA-UHFFFAOYSA-N 1 1 193.294 1.814 10 0 ADAEMO CC[C@H]1CC[N@H+]1CC[C@H]1CCOC1 379368471 409835494 /nfs/dbraw/zinc/83/54/94/409835494.db2.gz YIXIXXLBSOIHNU-QWRGUYRKSA-N 1 1 183.295 1.897 10 0 ADAEMO CC[N@@H+](CCCCF)[C@@H]1CCOC1 379368120 409835612 /nfs/dbraw/zinc/83/56/12/409835612.db2.gz WXFJKINHWQRGTJ-SNVBAGLBSA-N 1 1 189.274 1.847 10 0 ADAEMO CC[C@H]1CC[N@H+]1CCn1ccnc1 379381247 409837431 /nfs/dbraw/zinc/83/74/31/409837431.db2.gz GNDOIBOYSTZCQZ-JTQLQIEISA-N 1 1 179.267 1.367 10 0 ADAEMO CC[C@@H]1CC[N@H+]1CCn1ccnc1 379381248 409837736 /nfs/dbraw/zinc/83/77/36/409837736.db2.gz GNDOIBOYSTZCQZ-SNVBAGLBSA-N 1 1 179.267 1.367 10 0 ADAEMO CC(C)[N@@H+](CC1CC1)[C@H]1CCOC1 379384608 409838557 /nfs/dbraw/zinc/83/85/57/409838557.db2.gz PAQARMJKIRECMH-NSHDSACASA-N 1 1 183.295 1.896 10 0 ADAEMO CC(C)[N@@H+](CC1CC1)[C@@H]1CCOC1 379384607 409838623 /nfs/dbraw/zinc/83/86/23/409838623.db2.gz PAQARMJKIRECMH-LLVKDONJSA-N 1 1 183.295 1.896 10 0 ADAEMO COCC1(C[NH2+]CC(F)F)CCC1 379390057 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IAXAUUGCCILXBI-GXSJLCMTSA-N 1 1 199.294 1.201 10 0 ADAEMO C[C@H]1C[C@@H]([NH2+][C@H](C)CCN(C)C)[C@H]1C 379572101 409851700 /nfs/dbraw/zinc/85/17/00/409851700.db2.gz GIYFSMBUDSBIFG-WHOHXGKFSA-N 1 1 198.354 1.961 10 0 ADAEMO C[C@H]1C[C@@H]([NH2+][C@H](C)CCN(C)C)[C@@H]1C 379572099 409852116 /nfs/dbraw/zinc/85/21/16/409852116.db2.gz GIYFSMBUDSBIFG-IRCOFANPSA-N 1 1 198.354 1.961 10 0 ADAEMO C[C@H]1[C@H](C)C[C@H]1[NH2+][C@H](C)CCN(C)C 379572103 409852942 /nfs/dbraw/zinc/85/29/42/409852942.db2.gz GIYFSMBUDSBIFG-WISYIIOYSA-N 1 1 198.354 1.961 10 0 ADAEMO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1N 665237677 409853125 /nfs/dbraw/zinc/85/31/25/409853125.db2.gz HGIIIZVHQPJBCM-HBNTYKKESA-N 1 1 184.327 1.892 10 0 ADAEMO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1N 665237676 409853174 /nfs/dbraw/zinc/85/31/74/409853174.db2.gz HGIIIZVHQPJBCM-GARJFASQSA-N 1 1 184.327 1.892 10 0 ADAEMO C[C@H](CCN(C)C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C 379572097 409853845 /nfs/dbraw/zinc/85/38/45/409853845.db2.gz GIYFSMBUDSBIFG-DDHJBXDOSA-N 1 1 198.354 1.961 10 0 ADAEMO CC[C@H](C)CC[NH2+][C@H]1CCC[C@@H]1N 665237675 409854074 /nfs/dbraw/zinc/85/40/74/409854074.db2.gz HGIIIZVHQPJBCM-DCAQKATOSA-N 1 1 184.327 1.892 10 0 ADAEMO CC[C@H](C)CC[NH2+][C@H]1CCC[C@H]1N 665237674 409854360 /nfs/dbraw/zinc/85/43/60/409854360.db2.gz HGIIIZVHQPJBCM-AXFHLTTASA-N 1 1 184.327 1.892 10 0 ADAEMO C[C@@H](N[C@H]1CC[NH2+]C1)[C@H]1CC1(C)C 665242457 409855710 /nfs/dbraw/zinc/85/57/10/409855710.db2.gz YTQLEOMKJPEBAU-KXUCPTDWSA-N 1 1 182.311 1.373 10 0 ADAEMO C[C@]12C[C@H]1CCC[C@H]2N[C@H]1CC[NH2+]C1 665241690 409856315 /nfs/dbraw/zinc/85/63/15/409856315.db2.gz WFEYRICQTVRNQD-KXNHARMFSA-N 1 1 194.322 1.517 10 0 ADAEMO C[C@@H](N[C@H]1CC[NH2+]C1)[C@@H]1CC1(C)C 665242458 409858288 /nfs/dbraw/zinc/85/82/88/409858288.db2.gz YTQLEOMKJPEBAU-UTLUCORTSA-N 1 1 182.311 1.373 10 0 ADAEMO C[C@]12C[C@H]1CCC[C@@H]2N[C@H]1CC[NH2+]C1 665241691 409858393 /nfs/dbraw/zinc/85/83/93/409858393.db2.gz WFEYRICQTVRNQD-RHYQMDGZSA-N 1 1 194.322 1.517 10 0 ADAEMO C[C@H]([NH2+]CC1(N)CCCC1)[C@@H]1C[C@H]1C 665246544 409859582 /nfs/dbraw/zinc/85/95/82/409859582.db2.gz IIXXFIQHKMLLPS-OUAUKWLOSA-N 1 1 196.338 1.892 10 0 ADAEMO CC[N@@H+](CCO)C1CC(C)(C)C1 665249117 409859636 /nfs/dbraw/zinc/85/96/36/409859636.db2.gz IBAXFYDZGBLKDG-UHFFFAOYSA-N 1 1 171.284 1.489 10 0 ADAEMO C[C@H]([NH2+]CC1(N)CCCC1)[C@H]1C[C@H]1C 665246545 409859963 /nfs/dbraw/zinc/85/99/63/409859963.db2.gz IIXXFIQHKMLLPS-VWYCJHECSA-N 1 1 196.338 1.892 10 0 ADAEMO C1C[C@H](CN[C@@H]2CC[NH2+]C2)[C@@H]2C[C@@H]2C1 665263007 409860122 /nfs/dbraw/zinc/86/01/22/409860122.db2.gz DPYUIFFGWFCCOF-IRCOFANPSA-N 1 1 194.322 1.374 10 0 ADAEMO CC[N@@H+](C[C@H](C)O)C1CC(C)(C)C1 665249857 409860486 /nfs/dbraw/zinc/86/04/86/409860486.db2.gz RNGMLFISZZSDLB-VIFPVBQESA-N 1 1 185.311 1.878 10 0 ADAEMO C1C[C@H](CN[C@@H]2CC[NH2+]C2)[C@H]2C[C@H]2C1 665263008 409861895 /nfs/dbraw/zinc/86/18/95/409861895.db2.gz DPYUIFFGWFCCOF-KKOKHZNYSA-N 1 1 194.322 1.374 10 0 ADAEMO C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1(N)CCCC1 665246542 409862270 /nfs/dbraw/zinc/86/22/70/409862270.db2.gz IIXXFIQHKMLLPS-GMTAPVOTSA-N 1 1 196.338 1.892 10 0 ADAEMO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1(N)CCCC1 665246543 409862327 /nfs/dbraw/zinc/86/23/27/409862327.db2.gz IIXXFIQHKMLLPS-MXWKQRLJSA-N 1 1 196.338 1.892 10 0 ADAEMO CC[N@@H+](CCCO)C1CC(C)(C)C1 665248636 409862726 /nfs/dbraw/zinc/86/27/26/409862726.db2.gz JAQQOEXQJKZILH-UHFFFAOYSA-N 1 1 185.311 1.879 10 0 ADAEMO CCC[N@@H+](C[C@H]1CCC(=O)N1)C(C)C 665264366 409862759 /nfs/dbraw/zinc/86/27/59/409862759.db2.gz ULUQGGKAXTXWKZ-SNVBAGLBSA-N 1 1 198.310 1.385 10 0 ADAEMO CC[N@@H+](CC(=O)NC)C1CC(C)(C)C1 665248655 409862974 /nfs/dbraw/zinc/86/29/74/409862974.db2.gz OIXSUJWLCNGHHM-UHFFFAOYSA-N 1 1 198.310 1.243 10 0 ADAEMO C[C@H]1[C@@H](CO)CCC[N@H+]1CCCF 665270559 409864644 /nfs/dbraw/zinc/86/46/44/409864644.db2.gz CTFGJWOBXNVQPV-VHSXEESVSA-N 1 1 189.274 1.439 10 0 ADAEMO C[C@H]1[C@H](CO)CCC[N@H+]1CCCF 665270558 409864873 /nfs/dbraw/zinc/86/48/73/409864873.db2.gz CTFGJWOBXNVQPV-UWVGGRQHSA-N 1 1 189.274 1.439 10 0 ADAEMO C[C@H](NCC12CC(C[NH2+]1)C2)C1CC1 665276950 409864979 /nfs/dbraw/zinc/86/49/79/409864979.db2.gz PQQAWIOOGGGFJX-SILCLGDVSA-N 1 1 180.295 1.127 10 0 ADAEMO C[C@@H](NCC12CC(C[NH2+]1)C2)C1CC1 665276949 409865171 /nfs/dbraw/zinc/86/51/71/409865171.db2.gz PQQAWIOOGGGFJX-FKTRJACZSA-N 1 1 180.295 1.127 10 0 ADAEMO C[C@@H]1[C@H](CO)CCC[N@H+]1CCCF 665270560 409865323 /nfs/dbraw/zinc/86/53/23/409865323.db2.gz CTFGJWOBXNVQPV-ZJUUUORDSA-N 1 1 189.274 1.439 10 0 ADAEMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCCF 665270557 409866478 /nfs/dbraw/zinc/86/64/78/409866478.db2.gz CTFGJWOBXNVQPV-NXEZZACHSA-N 1 1 189.274 1.439 10 0 ADAEMO C[C@@H]1C[C@@H](NCC23CC(C[NH2+]2)C3)[C@@H]1C 665280314 409867902 /nfs/dbraw/zinc/86/79/02/409867902.db2.gz YMJUFQJBVDAONI-HBUVQDDESA-N 1 1 194.322 1.373 10 0 ADAEMO C[C@@H]1[C@@H](NCC23CC(C[NH2+]2)C3)C[C@H]1C 665280316 409868187 /nfs/dbraw/zinc/86/81/87/409868187.db2.gz YMJUFQJBVDAONI-UREMCVEQSA-N 1 1 194.322 1.373 10 0 ADAEMO C1CC([C@H]2CC[N@H+]([C@@H]3CCOC3)C2)C1 665290039 409868272 /nfs/dbraw/zinc/86/82/72/409868272.db2.gz GWXUNMXNIBDHCA-NWDGAFQWSA-N 1 1 195.306 1.897 10 0 ADAEMO OCC[N@H+]1CC[C@H](C2CCC2)C1 665285917 409868725 /nfs/dbraw/zinc/86/87/25/409868725.db2.gz AQKXKWXAFQAREB-JTQLQIEISA-N 1 1 169.268 1.101 10 0 ADAEMO C[C@H]1[C@H](C)C[C@H]1NCC12CC(C[NH2+]1)C2 665280315 409868762 /nfs/dbraw/zinc/86/87/62/409868762.db2.gz YMJUFQJBVDAONI-TZMBILIQSA-N 1 1 194.322 1.373 10 0 ADAEMO OCC[N@H+]1CC[C@@H](C2CCC2)C1 665285918 409868889 /nfs/dbraw/zinc/86/88/89/409868889.db2.gz AQKXKWXAFQAREB-SNVBAGLBSA-N 1 1 169.268 1.101 10 0 ADAEMO C1CC([C@@H]2CC[N@H+]([C@@H]3CCOC3)C2)C1 665290041 409869134 /nfs/dbraw/zinc/86/91/34/409869134.db2.gz GWXUNMXNIBDHCA-VXGBXAGGSA-N 1 1 195.306 1.897 10 0 ADAEMO CC[C@@H]1CC[C@@H]1NCC12CC(C[NH2+]1)C2 665279757 409869198 /nfs/dbraw/zinc/86/91/98/409869198.db2.gz LJHDLKVGEFSWBO-UPOSSJBDSA-N 1 1 194.322 1.517 10 0 ADAEMO CC[C@H]1CC[C@@H]1NCC12CC(C[NH2+]1)C2 665279758 409869234 /nfs/dbraw/zinc/86/92/34/409869234.db2.gz LJHDLKVGEFSWBO-YECOWLKZSA-N 1 1 194.322 1.517 10 0 ADAEMO CC[C@@H](C)NCC12CC(C[NH2+]1)C2 665277289 409869256 /nfs/dbraw/zinc/86/92/56/409869256.db2.gz YKICQSYJAZHTBI-XNWIYYODSA-N 1 1 168.284 1.127 10 0 ADAEMO C[C@@H]1C[C@H](NCC23CC(C[NH2+]2)C3)[C@@H]1C 665280313 409869433 /nfs/dbraw/zinc/86/94/33/409869433.db2.gz YMJUFQJBVDAONI-GRGSRKJBSA-N 1 1 194.322 1.373 10 0 ADAEMO CC[C@H](C)NCC12CC(C[NH2+]1)C2 665277288 409870212 /nfs/dbraw/zinc/87/02/12/409870212.db2.gz YKICQSYJAZHTBI-IDKOKCKLSA-N 1 1 168.284 1.127 10 0 ADAEMO CC1(C)CC[C@H]1NCC12CC(C[NH2+]1)C2 665279983 409870323 /nfs/dbraw/zinc/87/03/23/409870323.db2.gz QTDDLSXULYRYGV-SQLBVSGCSA-N 1 1 194.322 1.517 10 0 ADAEMO C1CC([C@@H]2CC[N@H+]([C@H]3CCOC3)C2)C1 665290038 409870376 /nfs/dbraw/zinc/87/03/76/409870376.db2.gz GWXUNMXNIBDHCA-NEPJUHHUSA-N 1 1 195.306 1.897 10 0 ADAEMO CC[C@H]1CC[C@H]1NCC12CC(C[NH2+]1)C2 665279756 409870430 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IZRWPUCSBWNJDN-AEJSXWLSSA-N 1 1 184.327 1.619 10 0 ADAEMO CNC[C@H](C)[NH2+][C@H](C)Cc1ccoc1 665297695 409872045 /nfs/dbraw/zinc/87/20/45/409872045.db2.gz JWMKMBWVEKCBIZ-ZJUUUORDSA-N 1 1 196.294 1.408 10 0 ADAEMO CNC[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 665297692 409872085 /nfs/dbraw/zinc/87/20/85/409872085.db2.gz JWMKMBWVEKCBIZ-NXEZZACHSA-N 1 1 196.294 1.408 10 0 ADAEMO CNC[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 665297694 409872424 /nfs/dbraw/zinc/87/24/24/409872424.db2.gz JWMKMBWVEKCBIZ-VHSXEESVSA-N 1 1 196.294 1.408 10 0 ADAEMO CNC[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 665297693 409874264 /nfs/dbraw/zinc/87/42/64/409874264.db2.gz JWMKMBWVEKCBIZ-UWVGGRQHSA-N 1 1 196.294 1.408 10 0 ADAEMO CNC[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C 665297617 409874413 /nfs/dbraw/zinc/87/44/13/409874413.db2.gz IZRWPUCSBWNJDN-LPEHRKFASA-N 1 1 184.327 1.619 10 0 ADAEMO CNC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@]21C 665298014 409874986 /nfs/dbraw/zinc/87/49/86/409874986.db2.gz QGFXPKSSPGRVEI-NNYUYHANSA-N 1 1 196.338 1.763 10 0 ADAEMO CNC[C@@H](C)[NH2+]C1CC(C(C)C)C1 665298655 409875031 /nfs/dbraw/zinc/87/50/31/409875031.db2.gz ZLEICSIDWAXZBC-KPPDAEKUSA-N 1 1 184.327 1.619 10 0 ADAEMO CNC[C@H](C)[NH2+]C1CC(C(C)C)C1 665298656 409875157 /nfs/dbraw/zinc/87/51/57/409875157.db2.gz ZLEICSIDWAXZBC-WHXUTIOJSA-N 1 1 184.327 1.619 10 0 ADAEMO CNC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 665298015 409876922 /nfs/dbraw/zinc/87/69/22/409876922.db2.gz QGFXPKSSPGRVEI-QCNOEVLYSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)C1 665669223 409882701 /nfs/dbraw/zinc/88/27/01/409882701.db2.gz GSZXXWIXLVXRGP-VHSXEESVSA-N 1 1 198.310 1.243 10 0 ADAEMO CC[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC)C1 665669224 409883110 /nfs/dbraw/zinc/88/31/10/409883110.db2.gz GSZXXWIXLVXRGP-ZJUUUORDSA-N 1 1 198.310 1.243 10 0 ADAEMO CC[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)C1 665669221 409883373 /nfs/dbraw/zinc/88/33/73/409883373.db2.gz GSZXXWIXLVXRGP-NXEZZACHSA-N 1 1 198.310 1.243 10 0 ADAEMO CC[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC)C1 665669222 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382115680 409890516 /nfs/dbraw/zinc/89/05/16/409890516.db2.gz LYLILGIDISEHKS-ZJUUUORDSA-N 1 1 171.284 1.753 10 0 ADAEMO c1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)[nH]n1 382096671 409890857 /nfs/dbraw/zinc/89/08/57/409890857.db2.gz DZTFNIJCPHQSES-ONGXEEELSA-N 1 1 191.278 1.545 10 0 ADAEMO CCOCCC[N@H+]1C[C@H](C)[C@H]1C 382115679 409891108 /nfs/dbraw/zinc/89/11/08/409891108.db2.gz LYLILGIDISEHKS-VHSXEESVSA-N 1 1 171.284 1.753 10 0 ADAEMO CCOCCC[N@H+]1C[C@H](C)[C@@H]1C 382115678 409891702 /nfs/dbraw/zinc/89/17/02/409891702.db2.gz LYLILGIDISEHKS-UWVGGRQHSA-N 1 1 171.284 1.753 10 0 ADAEMO Cc1noc(C[NH2+]C2(C(C)C)CC2)n1 382141156 409894358 /nfs/dbraw/zinc/89/43/58/409894358.db2.gz MRQQVFAMYMKWRU-UHFFFAOYSA-N 1 1 195.266 1.656 10 0 ADAEMO C[N@@H+](C[C@@H](O)C(F)(F)F)C(C)(C)C 382199973 409895862 /nfs/dbraw/zinc/89/58/62/409895862.db2.gz YZUQONSGIWHZMJ-ZCFIWIBFSA-N 1 1 199.216 1.640 10 0 ADAEMO C[N@@H+](C[C@H](O)C(F)(F)F)C(C)(C)C 382199407 409896067 /nfs/dbraw/zinc/89/60/67/409896067.db2.gz 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382200129 409897840 /nfs/dbraw/zinc/89/78/40/409897840.db2.gz DXOLVHWYEBWWFO-SNVBAGLBSA-N 1 1 169.268 1.673 10 0 ADAEMO CC(C)OCC[N@H+]1C[C@@H](C)[C@H]1C 382183988 409898376 /nfs/dbraw/zinc/89/83/76/409898376.db2.gz APIQEEUJCLCONU-NXEZZACHSA-N 1 1 171.284 1.752 10 0 ADAEMO COCCCC[N@H+]1CC[C@H]1COC 382305128 409899947 /nfs/dbraw/zinc/89/99/47/409899947.db2.gz OOYCLKJKMRGTQR-JTQLQIEISA-N 1 1 187.283 1.134 10 0 ADAEMO COC[C@@H]1CC[N@H+]1CCCCCF 382313773 409899979 /nfs/dbraw/zinc/89/99/79/409899979.db2.gz RAIUAHVQIZZEFN-JTQLQIEISA-N 1 1 189.274 1.847 10 0 ADAEMO COC[C@H]1CC[N@H+]1CC1CCCC1 382314533 409900185 /nfs/dbraw/zinc/90/01/85/409900185.db2.gz RDBYAKZJAJFVKR-LLVKDONJSA-N 1 1 183.295 1.897 10 0 ADAEMO Cc1c[nH]nc1C[NH2+]CC[C@H](C)F 382284486 409900477 /nfs/dbraw/zinc/90/04/77/409900477.db2.gz JORQKZZSMLMWJX-QMMMGPOBSA-N 1 1 185.246 1.556 10 0 ADAEMO COC[C@H]1CC[N@H+]1CCCCCF 382313774 409900549 /nfs/dbraw/zinc/90/05/49/409900549.db2.gz RAIUAHVQIZZEFN-SNVBAGLBSA-N 1 1 189.274 1.847 10 0 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1.099 10 0 ADAEMO CCC[C@@H]([NH3+])Cc1nnc(CC)[nH]1 128734043 573113802 /nfs/dbraw/zinc/11/38/02/573113802.db2.gz DZCONUZXCJXEIW-SSDOTTSWSA-N 1 1 182.271 1.037 10 0 ADAEMO CCC[C@@H]([NH3+])Cc1n[nH]c(CC)n1 128734043 573113808 /nfs/dbraw/zinc/11/38/08/573113808.db2.gz DZCONUZXCJXEIW-SSDOTTSWSA-N 1 1 182.271 1.037 10 0 ADAEMO [NH3+]CCCCc1ccc2cn[nH]c2c1 257953890 573113887 /nfs/dbraw/zinc/11/38/87/573113887.db2.gz BEDKSXWMMIXROU-UHFFFAOYSA-N 1 1 189.262 1.844 10 0 ADAEMO C/C=C/COC(=O)[C@H]1CCC[N@@H+]1C 308289724 573166645 /nfs/dbraw/zinc/16/66/45/573166645.db2.gz GJBVGVLUUSDSGR-CDAZIORVSA-N 1 1 183.251 1.200 10 0 ADAEMO C/C=C/COC(=O)[C@H]1CCC[N@H+]1C 308289724 573166652 /nfs/dbraw/zinc/16/66/52/573166652.db2.gz GJBVGVLUUSDSGR-CDAZIORVSA-N 1 1 183.251 1.200 10 0 ADAEMO CCOC(=O)[C@H](CC)c1c[nH]c(C)[nH+]1 259602285 573166660 /nfs/dbraw/zinc/16/66/60/573166660.db2.gz CXVKQJOMWQTXNH-MRVPVSSYSA-N 1 1 196.250 1.775 10 0 ADAEMO C[NH+](C)[C@H]1C(C)(C)CC[C@]1(C)N 238297453 573166735 /nfs/dbraw/zinc/16/67/35/573166735.db2.gz GRZRCBZDCKMLFO-WPRPVWTQSA-N 1 1 170.300 1.454 10 0 ADAEMO Nc1ccc(N2C[C@H]3CC[C@@H]3C2)[nH+]c1 115233528 573166781 /nfs/dbraw/zinc/16/67/81/573166781.db2.gz FSZHXNVUEMGOIS-RKDXNWHRSA-N 1 1 189.262 1.510 10 0 ADAEMO CCc1ccn2c(N)c[nH+]c2c1OC 238298389 573168243 /nfs/dbraw/zinc/16/82/43/573168243.db2.gz LCOPJSAEJWRJCD-UHFFFAOYSA-N 1 1 191.234 1.488 10 0 ADAEMO C[C@@H]1CN[C@@](C)([C@H]2CCC[N@@H+](C)C2)O1 258561762 573168249 /nfs/dbraw/zinc/16/82/49/573168249.db2.gz OYAYOZSOMYOGPR-OUAUKWLOSA-N 1 1 198.310 1.053 10 0 ADAEMO C/C=C/CN(C)Cc1n[nH]c(C)n1 308294680 573183803 /nfs/dbraw/zinc/18/38/03/573183803.db2.gz JKLMQUQVZACFDB-SNAWJCMRSA-N 1 1 180.255 1.121 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCC[C@@H]1CC(N)=O 308294640 573183687 /nfs/dbraw/zinc/18/36/87/573183687.db2.gz JIHIYGATAAJYSH-RKDXNWHRSA-N 1 1 184.283 1.125 10 0 ADAEMO C[N@@H+](CCCCF)C1CCOCC1 308295147 573183920 /nfs/dbraw/zinc/18/39/20/573183920.db2.gz HSLZEJGEQLQYEG-UHFFFAOYSA-N 1 1 189.274 1.847 10 0 ADAEMO NC[C@H]([NH3+])c1csc(C(F)F)c1 104684816 573183938 /nfs/dbraw/zinc/18/39/38/573183938.db2.gz YOGAPNWLGBPISI-YFKPBYRVSA-N 1 1 192.234 1.644 10 0 ADAEMO CC(=O)[C@H]([NH3+])c1cccc(N(C)C)c1 104683253 573184124 /nfs/dbraw/zinc/18/41/24/573184124.db2.gz TUWVBXINXWSZOC-NSHDSACASA-N 1 1 192.262 1.341 10 0 ADAEMO O=C1C[NH2+]C[C@H](c2ccccc2)C1 257962148 573184147 /nfs/dbraw/zinc/18/41/47/573184147.db2.gz XMJJMXOIHZXOQY-SNVBAGLBSA-N 1 1 175.231 1.333 10 0 ADAEMO CC[N@H+]1CCNCc2ccccc2C1 259359913 573184171 /nfs/dbraw/zinc/18/41/71/573184171.db2.gz KEQTVQVXHHHKIV-UHFFFAOYSA-N 1 1 190.290 1.612 10 0 ADAEMO CCN1CC[NH2+]Cc2ccccc2C1 259359913 573184177 /nfs/dbraw/zinc/18/41/77/573184177.db2.gz KEQTVQVXHHHKIV-UHFFFAOYSA-N 1 1 190.290 1.612 10 0 ADAEMO CC[NH2+]C[C@@H](N)C1CCCCC1 259356493 573184346 /nfs/dbraw/zinc/18/43/46/573184346.db2.gz MCQKWAAADYIWEP-SNVBAGLBSA-N 1 1 170.300 1.504 10 0 ADAEMO CC(C)[C@H](C)C[NH2+]N1CCOCC1 308295912 573184449 /nfs/dbraw/zinc/18/44/49/573184449.db2.gz UZHVRWFTINMYNL-SNVBAGLBSA-N 1 1 186.299 1.115 10 0 ADAEMO CN[C@H]([NH3+])c1cc(Cl)ccc1F 259356507 573184457 /nfs/dbraw/zinc/18/44/57/573184457.db2.gz MCSAXJYOVSKTQJ-QMMMGPOBSA-N 1 1 188.633 1.656 10 0 ADAEMO Cc1ccnc(N)c1C[C@H](C)C[NH3+] 82763109 573184498 /nfs/dbraw/zinc/18/44/98/573184498.db2.gz IXTKBBOICYPURH-ZETCQYMHSA-N 1 1 179.267 1.110 10 0 ADAEMO Cc1[nH]c(C(C)(C)C)nc1CC[NH3+] 257962177 573184528 /nfs/dbraw/zinc/18/45/28/573184528.db2.gz XMXHPZQVHPAHDF-UHFFFAOYSA-N 1 1 181.283 1.517 10 0 ADAEMO CC[C@H](C)[N@H+]1CCC[C@H]1CC(N)=O 308294639 573184562 /nfs/dbraw/zinc/18/45/62/573184562.db2.gz JIHIYGATAAJYSH-IUCAKERBSA-N 1 1 184.283 1.125 10 0 ADAEMO Cc1nnc(CC2([NH3+])CCCCC2)[nH]1 82770849 573184586 /nfs/dbraw/zinc/18/45/86/573184586.db2.gz CIUYCSCMBKGMJD-UHFFFAOYSA-N 1 1 194.282 1.317 10 0 ADAEMO Cc1nc(CC2([NH3+])CCCCC2)n[nH]1 82770849 573184596 /nfs/dbraw/zinc/18/45/96/573184596.db2.gz CIUYCSCMBKGMJD-UHFFFAOYSA-N 1 1 194.282 1.317 10 0 ADAEMO CN[C@@H]([NH3+])c1cc(Cl)ccc1F 259356504 573184634 /nfs/dbraw/zinc/18/46/34/573184634.db2.gz MCSAXJYOVSKTQJ-MRVPVSSYSA-N 1 1 188.633 1.656 10 0 ADAEMO C[C@H]([NH2+]C1COC1)c1cncc(F)c1 235508533 573184647 /nfs/dbraw/zinc/18/46/47/573184647.db2.gz LJIFQJLROHZOJQ-ZETCQYMHSA-N 1 1 196.225 1.270 10 0 ADAEMO C[C@H](CO)c1ccc2c(c1)C[N@H+](C)C2 257967045 573199392 /nfs/dbraw/zinc/19/93/92/573199392.db2.gz CKSZYMIQDQYPDE-SECBINFHSA-N 1 1 191.274 1.728 10 0 ADAEMO Cc1nc(C[NH2+][C@H]2CC=CCC2)no1 235940478 573199404 /nfs/dbraw/zinc/19/94/04/573199404.db2.gz HMHZDCUTCSQBLN-VIFPVBQESA-N 1 1 193.250 1.576 10 0 ADAEMO CC[C@H]1CC[C@@H]2CC(=O)C[N@H+]2C1 238302782 573199438 /nfs/dbraw/zinc/19/94/38/573199438.db2.gz UGNRBIYALYKMGS-DTWKUNHWSA-N 1 1 167.252 1.450 10 0 ADAEMO CC(=O)C[C@@H](C)n1cc[nH+]c1C 82792858 573199469 /nfs/dbraw/zinc/19/94/69/573199469.db2.gz WFYFRZIGTSSXLG-SSDOTTSWSA-N 1 1 166.224 1.732 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CCCOCC1 82792617 573199559 /nfs/dbraw/zinc/19/95/59/573199559.db2.gz OSHYQRYKCXJFEK-VIFPVBQESA-N 1 1 185.267 1.076 10 0 ADAEMO Cc1nnc(C[NH2+]C2(C)CCC2)o1 235949487 573199602 /nfs/dbraw/zinc/19/96/02/573199602.db2.gz MXMWCOUSQHSKTM-UHFFFAOYSA-N 1 1 181.239 1.410 10 0 ADAEMO CC[N@@H+](C)[C@H](C)CC(C)=O 82791739 573199685 /nfs/dbraw/zinc/19/96/85/573199685.db2.gz OQEFECBTZZKUTO-SSDOTTSWSA-N 1 1 143.230 1.306 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CCOC[C@H]1C 82791816 573199697 /nfs/dbraw/zinc/19/96/97/573199697.db2.gz QQNLLQDJDXVSMO-DTWKUNHWSA-N 1 1 185.267 1.075 10 0 ADAEMO CC[N@@H+](CCOC)[C@@H](C)CC(C)=O 82792005 573199714 /nfs/dbraw/zinc/19/97/14/573199714.db2.gz RAYJQCZQHAHVDM-VIFPVBQESA-N 1 1 187.283 1.322 10 0 ADAEMO CNC([NH2+]C)c1ccc(Cl)cc1 238309946 573199744 /nfs/dbraw/zinc/19/97/44/573199744.db2.gz JCCSLBWLXNGUSM-UHFFFAOYSA-N 1 1 184.670 1.777 10 0 ADAEMO C[NH+](C)[C@H]1Cc2ccccc2NC1=O 238302541 573199806 /nfs/dbraw/zinc/19/98/06/573199806.db2.gz OZOFTJDNSBQYTH-JTQLQIEISA-N 1 1 190.246 1.111 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CCO[C@H](C)C1 82791704 573199807 /nfs/dbraw/zinc/19/98/07/573199807.db2.gz XSBDRKYXJBXFKQ-WCBMZHEXSA-N 1 1 185.267 1.075 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CCOC(C)(C)C1 82791858 573199845 /nfs/dbraw/zinc/19/98/45/573199845.db2.gz XBQPWJHRUJSQBZ-VIFPVBQESA-N 1 1 199.294 1.465 10 0 ADAEMO CC(=O)C[C@H](C)n1cc[nH+]c1C 82792857 573199898 /nfs/dbraw/zinc/19/98/98/573199898.db2.gz WFYFRZIGTSSXLG-ZETCQYMHSA-N 1 1 166.224 1.732 10 0 ADAEMO C/C=C\COc1cc(C)[nH+]cc1CO 308305229 573199908 /nfs/dbraw/zinc/19/99/08/573199908.db2.gz IWNMQEYQJOWAQM-ARJAWSKDSA-N 1 1 193.246 1.837 10 0 ADAEMO CC(=O)C(F)(F)[C@H]1CC[N@H+](C)C1 257966407 573199909 /nfs/dbraw/zinc/19/99/09/573199909.db2.gz XZGAQIJMXYNRLJ-ZETCQYMHSA-N 1 1 177.194 1.162 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CCOCC1(C)C 82791944 573200230 /nfs/dbraw/zinc/20/02/30/573200230.db2.gz SHAOZVXUBNJXKM-VIFPVBQESA-N 1 1 199.294 1.465 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1CCO[C@@H](C)C1 82791707 573200252 /nfs/dbraw/zinc/20/02/52/573200252.db2.gz XSBDRKYXJBXFKQ-WPRPVWTQSA-N 1 1 185.267 1.075 10 0 ADAEMO CC(=O)C[C@H](C)[N@H+]1C[C@@H](C)OC[C@H]1C 82791822 573200305 /nfs/dbraw/zinc/20/03/05/573200305.db2.gz KEHOFIJSPJQSEW-IQJOONFLSA-N 1 1 199.294 1.463 10 0 ADAEMO COc1cc(N)cc(CC(C)C)[nH+]1 257967899 573200509 /nfs/dbraw/zinc/20/05/09/573200509.db2.gz YGHNGJIWCOFRDD-UHFFFAOYSA-N 1 1 180.251 1.871 10 0 ADAEMO Cn1c([C@@H]2CC[N@@H+](C)C2)cnc1Cl 258582527 573200548 /nfs/dbraw/zinc/20/05/48/573200548.db2.gz QXSAZDSJKMGHTD-SSDOTTSWSA-N 1 1 199.685 1.493 10 0 ADAEMO CC(=O)C[C@@H](C)[N@@H+](C)C1CC1 82791749 573200622 /nfs/dbraw/zinc/20/06/22/573200622.db2.gz NDIIWHQMVGMMRL-SSDOTTSWSA-N 1 1 155.241 1.448 10 0 ADAEMO CC[N@H+]1CCC=C(CCO)C1 257970200 573200648 /nfs/dbraw/zinc/20/06/48/573200648.db2.gz GJUQXSZLXINPQE-UHFFFAOYSA-N 1 1 155.241 1.021 10 0 ADAEMO CC[N@H+]1CCc2c(N)cc(F)cc2C1 82790189 573200765 /nfs/dbraw/zinc/20/07/65/573200765.db2.gz IHOVKOSRGCIWCV-UHFFFAOYSA-N 1 1 194.253 1.786 10 0 ADAEMO Cc1cnnc(-n2cc[nH+]c2C)c1 235928485 573200776 /nfs/dbraw/zinc/20/07/76/573200776.db2.gz GFMQBXPWRNNGLV-UHFFFAOYSA-N 1 1 174.207 1.279 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1C1(O)CCC1 257969228 573200802 /nfs/dbraw/zinc/20/08/02/573200802.db2.gz KALTYNFFAFRCGK-JTQLQIEISA-N 1 1 183.295 1.776 10 0 ADAEMO CC(=O)C[C@H](C)[N@@H+](C)C1CC1 82791746 573200822 /nfs/dbraw/zinc/20/08/22/573200822.db2.gz NDIIWHQMVGMMRL-ZETCQYMHSA-N 1 1 155.241 1.448 10 0 ADAEMO C[C@H](O)CC[N@@H+](C)C[C@H]1CCCC1=O 253019730 573200827 /nfs/dbraw/zinc/20/08/27/573200827.db2.gz JGVMZIYCQXKCSZ-VHSXEESVSA-N 1 1 199.294 1.058 10 0 ADAEMO CC[C@H]1C[N@H+](C)C[C@@H](C(C)C)N1 238311156 573200855 /nfs/dbraw/zinc/20/08/55/573200855.db2.gz QMNXUXZPPNYYDM-UWVGGRQHSA-N 1 1 170.300 1.325 10 0 ADAEMO CC[C@H]1C[N@@H+](C)C[C@@H](C(C)C)N1 238311156 573200858 /nfs/dbraw/zinc/20/08/58/573200858.db2.gz QMNXUXZPPNYYDM-UWVGGRQHSA-N 1 1 170.300 1.325 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 123829494 573200898 /nfs/dbraw/zinc/20/08/98/573200898.db2.gz OVWJIUCLWSCPPT-WISYIIOYSA-N 1 1 194.322 1.611 10 0 ADAEMO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 123829494 573200902 /nfs/dbraw/zinc/20/09/02/573200902.db2.gz OVWJIUCLWSCPPT-WISYIIOYSA-N 1 1 194.322 1.611 10 0 ADAEMO CNC(C)(C)[C@H]([NH2+]C)C1CCCC1 259371391 573202916 /nfs/dbraw/zinc/20/29/16/573202916.db2.gz LLNKQSKIIZNINC-SNVBAGLBSA-N 1 1 184.327 1.763 10 0 ADAEMO NNc1ccc2[nH]c(C3CC3)[nH+]c2c1 258583665 573202927 /nfs/dbraw/zinc/20/29/27/573202927.db2.gz LIQJXXCUIAMTDK-UHFFFAOYSA-N 1 1 188.234 1.726 10 0 ADAEMO CSC[C@@H](C)[N@H+](C)Cc1ncc[nH]1 308306912 573202963 /nfs/dbraw/zinc/20/29/63/573202963.db2.gz OLFFTJTYXDZUHZ-MRVPVSSYSA-N 1 1 199.323 1.593 10 0 ADAEMO CSC[C@@H](C)[N@@H+](C)Cc1ncc[nH]1 308306912 573202965 /nfs/dbraw/zinc/20/29/65/573202965.db2.gz OLFFTJTYXDZUHZ-MRVPVSSYSA-N 1 1 199.323 1.593 10 0 ADAEMO C1CN(C2CCC3(CC2)CC3)CC[NH2+]1 257968276 573202976 /nfs/dbraw/zinc/20/29/76/573202976.db2.gz HYESFAWRVFOIEY-UHFFFAOYSA-N 1 1 194.322 1.614 10 0 ADAEMO C[NH2+][C@@H](c1cccc(F)c1)[C@H](C)N 259367693 573202981 /nfs/dbraw/zinc/20/29/81/573202981.db2.gz KLVNBAZDGKPCAD-OIBJUYFYSA-N 1 1 182.242 1.433 10 0 ADAEMO Cc1cccc2c1NC(=[NH2+])CO2 259603446 573203021 /nfs/dbraw/zinc/20/30/21/573203021.db2.gz DFOALAPOKUUTPC-UHFFFAOYSA-N 1 1 162.192 1.376 10 0 ADAEMO CC[C@H]1C[N@@H+](C)C[C@@H](CC)C1=O 238311174 573203039 /nfs/dbraw/zinc/20/30/39/573203039.db2.gz RCYRWGNABOBKEO-DTORHVGOSA-N 1 1 169.268 1.553 10 0 ADAEMO OCCc1ccccc1N1C=[NH+]CC1 257968969 573203042 /nfs/dbraw/zinc/20/30/42/573203042.db2.gz CPIATPLMTHIHPB-UHFFFAOYSA-N 1 1 190.246 1.070 10 0 ADAEMO CC[N@@H+](Cc1ccc(N)cn1)C1CC1 129045693 573203058 /nfs/dbraw/zinc/20/30/58/573203058.db2.gz VAOYZQIJAKZNCN-UHFFFAOYSA-N 1 1 191.278 1.648 10 0 ADAEMO CC[C@@H](C)C[N@@H+](C)CCC1(O)CC1 308307128 573203106 /nfs/dbraw/zinc/20/31/06/573203106.db2.gz OYVMTMVXNDIMCY-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO CN[C@@H](c1ccccc1C)[C@@H](C)[NH3+] 259371561 573203107 /nfs/dbraw/zinc/20/31/07/573203107.db2.gz KOYLVPYZBYTCBQ-MWLCHTKSSA-N 1 1 178.279 1.603 10 0 ADAEMO CCc1[nH+]c(N)[nH]c1C(C)C 258584390 573203126 /nfs/dbraw/zinc/20/31/26/573203126.db2.gz SRNTYGRRHKUBPS-UHFFFAOYSA-N 1 1 153.229 1.678 10 0 ADAEMO C1CN[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 257746883 573203528 /nfs/dbraw/zinc/20/35/28/573203528.db2.gz YZKYHFOTARPRHN-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO C1CN[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 257746883 573203532 /nfs/dbraw/zinc/20/35/32/573203532.db2.gz YZKYHFOTARPRHN-GMTAPVOTSA-N 1 1 180.295 1.223 10 0 ADAEMO Cc1nnc(C[NH2+][C@H]2CC2(C)C)o1 235953354 573205517 /nfs/dbraw/zinc/20/55/17/573205517.db2.gz IARDIWAKUCZEDM-ZETCQYMHSA-N 1 1 181.239 1.266 10 0 ADAEMO CNc1nc(NC2CC(C)C2)cc[nH+]1 123840938 573205543 /nfs/dbraw/zinc/20/55/43/573205543.db2.gz BMNHVGZVWATKIH-UHFFFAOYSA-N 1 1 192.266 1.729 10 0 ADAEMO C[N@H+]1CCC[C@H](c2ncc(C=O)o2)C1 257965494 573205545 /nfs/dbraw/zinc/20/55/45/573205545.db2.gz GPBGAVXOROLEEL-QMMMGPOBSA-N 1 1 194.234 1.296 10 0 ADAEMO C[C@H](CC(N)=S)[N@H+]1CC[C@@H](F)C1 689882680 573205743 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168.284 1.352 10 0 ADAEMO C[C@]1(CN)CC[C@@H]2CCCC[N@H+]21 258617443 573276286 /nfs/dbraw/zinc/27/62/86/573276286.db2.gz WMONMNJVCCMEKW-VHSXEESVSA-N 1 1 168.284 1.352 10 0 ADAEMO COC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1C 42863291 573276329 /nfs/dbraw/zinc/27/63/29/573276329.db2.gz YOYAZGOJSFGGPY-VHSXEESVSA-N 1 1 199.294 1.575 10 0 ADAEMO [NH3+][C@@H]1CCC[C@H]1c1nc(C2CC2)n[nH]1 82919179 573276440 /nfs/dbraw/zinc/27/64/40/573276440.db2.gz MGWCTBIEDAMTAH-HTQZYQBOSA-N 1 1 192.266 1.277 10 0 ADAEMO [NH3+][C@H](CN1CCCCC1)C1CCCC1 74240770 573276441 /nfs/dbraw/zinc/27/64/41/573276441.db2.gz LDUYNFVNULIPCM-GFCCVEGCSA-N 1 1 196.338 1.990 10 0 ADAEMO CCc1nc([C@H]2CCCC[C@@H]2[NH3+])n[nH]1 82919151 573276972 /nfs/dbraw/zinc/27/69/72/573276972.db2.gz IKYSKQLIDSLXCL-YUMQZZPRSA-N 1 1 194.282 1.352 10 0 ADAEMO CC(C)c1n[nH]c([C@H]2CCC[C@H]2[NH3+])n1 82919165 573276614 /nfs/dbraw/zinc/27/66/14/573276614.db2.gz INXGRUSIYHTHDI-JGVFFNPUSA-N 1 1 194.282 1.523 10 0 ADAEMO [NH3+]Cc1nc([C@H]2CCCSC2)co1 257990332 573276647 /nfs/dbraw/zinc/27/66/47/573276647.db2.gz FIGHXZGQYBBBMG-ZETCQYMHSA-N 1 1 198.291 1.744 10 0 ADAEMO Cc1nnc([C@@H]2CCCC[C@@H]2[NH3+])[nH]1 82919142 573276764 /nfs/dbraw/zinc/27/67/64/573276764.db2.gz KKMFNOSPLGJETN-SFYZADRCSA-N 1 1 180.255 1.098 10 0 ADAEMO Cc1nc([C@@H]2CCCC[C@@H]2[NH3+])n[nH]1 82919142 573276768 /nfs/dbraw/zinc/27/67/68/573276768.db2.gz KKMFNOSPLGJETN-SFYZADRCSA-N 1 1 180.255 1.098 10 0 ADAEMO [NH3+]Cc1nc([C@@H]2CCCSC2)co1 257990330 573276840 /nfs/dbraw/zinc/27/68/40/573276840.db2.gz FIGHXZGQYBBBMG-SSDOTTSWSA-N 1 1 198.291 1.744 10 0 ADAEMO Cc1cc[nH+]c2c1NC(=O)C[C@@H](C)N2 86160600 573276849 /nfs/dbraw/zinc/27/68/49/573276849.db2.gz RYPFDTRPICWVQN-SSDOTTSWSA-N 1 1 191.234 1.533 10 0 ADAEMO CCc1n[nH]c([C@H]2CCCC[C@@H]2[NH3+])n1 82919151 573276958 /nfs/dbraw/zinc/27/69/58/573276958.db2.gz IKYSKQLIDSLXCL-YUMQZZPRSA-N 1 1 194.282 1.352 10 0 ADAEMO CO[C@@]1(C)CC[N@@H+](CCCC(C)=O)C1 308534803 573291450 /nfs/dbraw/zinc/29/14/50/573291450.db2.gz 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C[C@@H]([N@H+]1CCC[C@H](N)C1)C(C)(C)C 74282050 573299101 /nfs/dbraw/zinc/29/91/01/573299101.db2.gz SHVAXEWOHCCCBO-ZJUUUORDSA-N 1 1 184.327 1.844 10 0 ADAEMO C[C@@H](N1CCC[C@H]([NH3+])C1)C(C)(C)C 74282050 573299105 /nfs/dbraw/zinc/29/91/05/573299105.db2.gz SHVAXEWOHCCCBO-ZJUUUORDSA-N 1 1 184.327 1.844 10 0 ADAEMO O[C@@H]1CC[C@H]1[N@H+]1C[C@@H]2CCCCC[C@@H]21 687978297 573299111 /nfs/dbraw/zinc/29/91/11/573299111.db2.gz AGLGMCKKUHECPK-NNYUYHANSA-N 1 1 195.306 1.774 10 0 ADAEMO CCN1CC[C@@H]([NH2+]C)C(C)(C)C1 259407521 573299165 /nfs/dbraw/zinc/29/91/65/573299165.db2.gz YJPYGDHVMHIQMF-SECBINFHSA-N 1 1 170.300 1.326 10 0 ADAEMO C[N@@H+]1[C@H]2CC[C@@H]1Cc1nc(N)sc12 238335534 573299185 /nfs/dbraw/zinc/29/91/85/573299185.db2.gz RCDQMUKYNPDWJS-VDTYLAMSSA-N 1 1 195.291 1.417 10 0 ADAEMO CC[C@]1(C)CN[C@@H](C2CC2)C[N@H+]1C 82939101 573299199 /nfs/dbraw/zinc/29/91/99/573299199.db2.gz ISHPAPPGPQNANX-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1C 82939101 573299207 /nfs/dbraw/zinc/29/92/07/573299207.db2.gz ISHPAPPGPQNANX-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO CC(C)[N@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C 82938307 573299226 /nfs/dbraw/zinc/29/92/26/573299226.db2.gz VCOWXHGNIFPUDX-JQWIXIFHSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)N1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C 82938307 573299232 /nfs/dbraw/zinc/29/92/32/573299232.db2.gz VCOWXHGNIFPUDX-JQWIXIFHSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[N@H+]1C[C@](C)(C2CC2)NC[C@H]1C 82938304 573299246 /nfs/dbraw/zinc/29/92/46/573299246.db2.gz VCOWXHGNIFPUDX-ZYHUDNBSSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)N1C[C@](C)(C2CC2)[NH2+]C[C@H]1C 82938304 573299251 /nfs/dbraw/zinc/29/92/51/573299251.db2.gz VCOWXHGNIFPUDX-ZYHUDNBSSA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@H]([NH3+])C(C)(C)N1CCCCC1 74282324 573299261 /nfs/dbraw/zinc/29/92/61/573299261.db2.gz KRGDMKWNKSADDT-JTQLQIEISA-N 1 1 184.327 1.988 10 0 ADAEMO C[C@H]1CNC2(CCCC2)C[N@@H+]1C 82937994 573299262 /nfs/dbraw/zinc/29/92/62/573299262.db2.gz HYJZDUZNSBEBSL-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@H]1CNC2(CCCC2)C[N@H+]1C 82937994 573299266 /nfs/dbraw/zinc/29/92/66/573299266.db2.gz HYJZDUZNSBEBSL-VIFPVBQESA-N 1 1 168.284 1.223 10 0 ADAEMO C[N@@H+]1C[C@](C)(C2CC2)NCC1(C)C 82938484 573299269 /nfs/dbraw/zinc/29/92/69/573299269.db2.gz VGRROZLBOXAXHV-LLVKDONJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[N@H+]1C[C@](C)(C2CC2)NCC1(C)C 82938484 573299272 /nfs/dbraw/zinc/29/92/72/573299272.db2.gz VGRROZLBOXAXHV-LLVKDONJSA-N 1 1 182.311 1.469 10 0 ADAEMO C[N@H+]1CC2(CCCC2)NC[C@H]1C1CC1 82938054 573299339 /nfs/dbraw/zinc/29/93/39/573299339.db2.gz ZMGHFDMRWUXSAJ-NSHDSACASA-N 1 1 194.322 1.613 10 0 ADAEMO CN1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 82938054 573299345 /nfs/dbraw/zinc/29/93/45/573299345.db2.gz ZMGHFDMRWUXSAJ-NSHDSACASA-N 1 1 194.322 1.613 10 0 ADAEMO CC(C)C[C@@H]1CN[C@H](C2CC2)C[N@H+]1C 82938983 573299391 /nfs/dbraw/zinc/29/93/91/573299391.db2.gz MYWGTWTUSNXTAO-NEPJUHHUSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+][C@H](C2CC2)CN1C 82938983 573299395 /nfs/dbraw/zinc/29/93/95/573299395.db2.gz MYWGTWTUSNXTAO-NEPJUHHUSA-N 1 1 196.338 1.715 10 0 ADAEMO C[N@@H+]1CC2(CCCC2)NCC1(C)C 82938075 573299405 /nfs/dbraw/zinc/29/94/05/573299405.db2.gz VJZHZRHLUYMVAZ-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO C[N@H+]1CC2(CCCC2)NCC1(C)C 82938075 573299410 /nfs/dbraw/zinc/29/94/10/573299410.db2.gz VJZHZRHLUYMVAZ-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CCc1cc(O)cc(C(=O)C[NH3+])c1 238335854 573299460 /nfs/dbraw/zinc/29/94/60/573299460.db2.gz MXJYZPBRJZYLDE-UHFFFAOYSA-N 1 1 179.219 1.096 10 0 ADAEMO COC[N@H+](C)CCc1cccnc1 259074188 573299465 /nfs/dbraw/zinc/29/94/65/573299465.db2.gz LWQXPFULEJKRJZ-UHFFFAOYSA-N 1 1 180.251 1.160 10 0 ADAEMO COC[N@@H+](C)CCc1cccnc1 259074188 573299466 /nfs/dbraw/zinc/29/94/66/573299466.db2.gz LWQXPFULEJKRJZ-UHFFFAOYSA-N 1 1 180.251 1.160 10 0 ADAEMO CCCC[C@@H](C)[N@H+]1CCCNCC1 50890844 573299485 /nfs/dbraw/zinc/29/94/85/573299485.db2.gz LTZRZXINQHZRIT-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CCCC[C@@H](C)N1CCC[NH2+]CC1 50890844 573299492 /nfs/dbraw/zinc/29/94/92/573299492.db2.gz LTZRZXINQHZRIT-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CC(C)[N@H+]1C[C@@H](C2CC2)NC[C@H]1C 82938739 573299493 /nfs/dbraw/zinc/29/94/93/573299493.db2.gz PKJAEYMDZYRESK-KOLCDFICSA-N 1 1 182.311 1.467 10 0 ADAEMO CC[C@H](C)[C@H]1C[N@@H+](C)C(C)(C)CN1 82937600 573302864 /nfs/dbraw/zinc/30/28/64/573302864.db2.gz OTGZJEGCGYWVFY-VHSXEESVSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H]1C[N@@H+](CC2CC2)CCCN1 82941264 573302191 /nfs/dbraw/zinc/30/21/91/573302191.db2.gz QUUIOZDQHUTMCB-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[C@@H]1CN(CC2CC2)CCC[NH2+]1 82941264 573302196 /nfs/dbraw/zinc/30/21/96/573302196.db2.gz QUUIOZDQHUTMCB-SECBINFHSA-N 1 1 168.284 1.080 10 0 ADAEMO C[NH2+][C@H](C)c1ccncc1O 238338667 573302219 /nfs/dbraw/zinc/30/22/19/573302219.db2.gz VDRVAGSOWDMVBW-ZCFIWIBFSA-N 1 1 152.197 1.068 10 0 ADAEMO CC[N@H+]1C[C@@](C)(C2CC2)NCC1(C)C 82938472 573302223 /nfs/dbraw/zinc/30/22/23/573302223.db2.gz ONIBMNVIOXSCIC-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CCN1C[C@@](C)(C2CC2)[NH2+]CC1(C)C 82938472 573302229 /nfs/dbraw/zinc/30/22/29/573302229.db2.gz ONIBMNVIOXSCIC-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1CC 82937721 573302237 /nfs/dbraw/zinc/30/22/37/573302237.db2.gz BWPJOECSYZVEJD-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CC 82937721 573302242 /nfs/dbraw/zinc/30/22/42/573302242.db2.gz BWPJOECSYZVEJD-MNOVXSKESA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1CC 82938344 573302252 /nfs/dbraw/zinc/30/22/52/573302252.db2.gz VVBLEYXBBCFOSL-VXGBXAGGSA-N 1 1 196.338 1.859 10 0 ADAEMO CO[C@H](C)CNc1ccc(N)c[nH+]1 223655355 573302254 /nfs/dbraw/zinc/30/22/54/573302254.db2.gz GXGPGWXUVDVAGC-SSDOTTSWSA-N 1 1 181.239 1.111 10 0 ADAEMO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CC 82938344 573302258 /nfs/dbraw/zinc/30/22/58/573302258.db2.gz VVBLEYXBBCFOSL-VXGBXAGGSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C 82938904 573302278 /nfs/dbraw/zinc/30/22/78/573302278.db2.gz KDMIXAVBEGVRBN-WDEREUQCSA-N 1 1 182.311 1.469 10 0 ADAEMO CCC[C@H]1CN[C@@H](C2CC2)C[N@H+]1C 82938904 573302284 /nfs/dbraw/zinc/30/22/84/573302284.db2.gz KDMIXAVBEGVRBN-WDEREUQCSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1C 82938861 573302295 /nfs/dbraw/zinc/30/22/95/573302295.db2.gz KRPBZFMIHPHOCX-NXEZZACHSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[C@@H]1CN[C@@H](C2CC2)C[N@H+]1C 82938861 573302299 /nfs/dbraw/zinc/30/22/99/573302299.db2.gz KRPBZFMIHPHOCX-NXEZZACHSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]([NH3+])c1nc(-c2ccc[nH]2)no1 124008534 573302316 /nfs/dbraw/zinc/30/23/16/573302316.db2.gz JBXJLLJHOKIMBQ-YFKPBYRVSA-N 1 1 178.195 1.084 10 0 ADAEMO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@H+]1C 82938417 573302324 /nfs/dbraw/zinc/30/23/24/573302324.db2.gz DICULNBSLDRJSM-NEPJUHHUSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1C 82938417 573302328 /nfs/dbraw/zinc/30/23/28/573302328.db2.gz DICULNBSLDRJSM-NEPJUHHUSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[N@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C 82938290 573302338 /nfs/dbraw/zinc/30/23/38/573302338.db2.gz RXMABMPYZBSFIE-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO CCN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C 82938290 573302346 /nfs/dbraw/zinc/30/23/46/573302346.db2.gz RXMABMPYZBSFIE-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[N@H+]1C[C@@H](C2CC2)NCC1(C)C 82939054 573302358 /nfs/dbraw/zinc/30/23/58/573302358.db2.gz LEZRUJALSNIGKZ-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO CCN1C[C@@H](C2CC2)[NH2+]CC1(C)C 82939054 573302363 /nfs/dbraw/zinc/30/23/63/573302363.db2.gz LEZRUJALSNIGKZ-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@]1(C)C[N@@H+](C)[C@@](C)(C2CC2)CN1 82937963 573302381 /nfs/dbraw/zinc/30/23/81/573302381.db2.gz ACFONBGOCPMTNS-VXGBXAGGSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@]1(C)CN(C)[C@@](C)(C2CC2)C[NH2+]1 82937963 573302385 /nfs/dbraw/zinc/30/23/85/573302385.db2.gz ACFONBGOCPMTNS-VXGBXAGGSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@H+]1C[C@](C)(C2CC2)NC[C@@H]1C 82938291 573302395 /nfs/dbraw/zinc/30/23/95/573302395.db2.gz RXMABMPYZBSFIE-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO CCN1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C 82938291 573302402 /nfs/dbraw/zinc/30/24/02/573302402.db2.gz RXMABMPYZBSFIE-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO C[NH2+][C@@H]1OC(=C(C)C)C(C)(C)O1 238338947 573302414 /nfs/dbraw/zinc/30/24/14/573302414.db2.gz HYAMICAPFOKVHW-MRVPVSSYSA-N 1 1 171.240 1.609 10 0 ADAEMO C[C@@H]1CN[C@H](C[C@H]2CCC[N@H+]2C)OC1 258285725 573302423 /nfs/dbraw/zinc/30/24/23/573302423.db2.gz BVLWDQLJTLZWOE-MXWKQRLJSA-N 1 1 198.310 1.053 10 0 ADAEMO C[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C 82938327 573302470 /nfs/dbraw/zinc/30/24/70/573302470.db2.gz CMPWLVRSAZAXID-WCBMZHEXSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1C 82938327 573302473 /nfs/dbraw/zinc/30/24/73/573302473.db2.gz CMPWLVRSAZAXID-WCBMZHEXSA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)[C@H]1CN[C@H](C2CC2)C[N@H+]1C 82938938 573302499 /nfs/dbraw/zinc/30/24/99/573302499.db2.gz FEJSEYGTZZVBKO-WDEREUQCSA-N 1 1 182.311 1.325 10 0 ADAEMO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C 82938938 573302504 /nfs/dbraw/zinc/30/25/04/573302504.db2.gz FEJSEYGTZZVBKO-WDEREUQCSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C 82938328 573302524 /nfs/dbraw/zinc/30/25/24/573302524.db2.gz CMPWLVRSAZAXID-SCZZXKLOSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1C 82938328 573302528 /nfs/dbraw/zinc/30/25/28/573302528.db2.gz CMPWLVRSAZAXID-SCZZXKLOSA-N 1 1 168.284 1.079 10 0 ADAEMO COc1ccc(Cl)c2c[nH+]cn12 238338650 573302530 /nfs/dbraw/zinc/30/25/30/573302530.db2.gz QMARKTZENDSFQW-UHFFFAOYSA-N 1 1 182.610 1.996 10 0 ADAEMO CC(C)C[C@H]1CN[C@H](C2CC2)C[N@H+]1C 82938984 573302534 /nfs/dbraw/zinc/30/25/34/573302534.db2.gz MYWGTWTUSNXTAO-RYUDHWBXSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)C[C@H]1C[NH2+][C@H](C2CC2)CN1C 82938984 573302536 /nfs/dbraw/zinc/30/25/36/573302536.db2.gz MYWGTWTUSNXTAO-RYUDHWBXSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)C[N@H+]1C[C@H](C2CC2)NC[C@@H]1C 82938726 573302556 /nfs/dbraw/zinc/30/25/56/573302556.db2.gz XEYFXXRROZMNED-CMPLNLGQSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)CN1C[C@H](C2CC2)[NH2+]C[C@@H]1C 82938726 573302561 /nfs/dbraw/zinc/30/25/61/573302561.db2.gz XEYFXXRROZMNED-CMPLNLGQSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)C[N@H+]1C[C@@H](C2CC2)NC[C@@H]1C 82938724 573302598 /nfs/dbraw/zinc/30/25/98/573302598.db2.gz XEYFXXRROZMNED-JQWIXIFHSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)CN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C 82938724 573302600 /nfs/dbraw/zinc/30/26/00/573302600.db2.gz XEYFXXRROZMNED-JQWIXIFHSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@H]1CN[C@](C)(C2CC2)C[N@H+]1CC 82938347 573302638 /nfs/dbraw/zinc/30/26/38/573302638.db2.gz VVBLEYXBBCFOSL-RYUDHWBXSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CC 82938347 573302642 /nfs/dbraw/zinc/30/26/42/573302642.db2.gz VVBLEYXBBCFOSL-RYUDHWBXSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1CNC2(CCCC2)C[N@H+]1C 82938007 573302652 /nfs/dbraw/zinc/30/26/52/573302652.db2.gz ZFISHTVPXNIHOH-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@@H]1C[NH2+]C2(CCCC2)CN1C 82938007 573302657 /nfs/dbraw/zinc/30/26/57/573302657.db2.gz ZFISHTVPXNIHOH-SNVBAGLBSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC1(CC)C[N@H+](C)C(C)(C)CN1 82938674 573302675 /nfs/dbraw/zinc/30/26/75/573302675.db2.gz PRCNBHORNFIVCZ-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC1(CC)C[N@@H+](C)C(C)(C)CN1 82938674 573302678 /nfs/dbraw/zinc/30/26/78/573302678.db2.gz PRCNBHORNFIVCZ-UHFFFAOYSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1C 82938396 573302704 /nfs/dbraw/zinc/30/27/04/573302704.db2.gz XFGWSOCYAJBJGP-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C 82938396 573302712 /nfs/dbraw/zinc/30/27/12/573302712.db2.gz XFGWSOCYAJBJGP-NEPJUHHUSA-N 1 1 196.338 1.859 10 0 ADAEMO COc1ccc(Cl)c2[nH+]cc(N)n12 238338975 573302715 /nfs/dbraw/zinc/30/27/15/573302715.db2.gz KCNLFANWYDOPOU-UHFFFAOYSA-N 1 1 197.625 1.579 10 0 ADAEMO C[C@@H]1CN[C@@H](C2CC2)C[N@H+]1CC1CC1 82938729 573302720 /nfs/dbraw/zinc/30/27/20/573302720.db2.gz LZUXEAORIVMLPU-BXKDBHETSA-N 1 1 194.322 1.469 10 0 ADAEMO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CC1CC1 82938729 573302726 /nfs/dbraw/zinc/30/27/26/573302726.db2.gz LZUXEAORIVMLPU-BXKDBHETSA-N 1 1 194.322 1.469 10 0 ADAEMO CCC[N@H+]1C[C@@H](C2CC2)NC[C@@H]1C 82938758 573302753 /nfs/dbraw/zinc/30/27/53/573302753.db2.gz LZAWWRVGEAADLP-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO CCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C 82938758 573302759 /nfs/dbraw/zinc/30/27/59/573302759.db2.gz LZAWWRVGEAADLP-ONGXEEELSA-N 1 1 182.311 1.469 10 0 ADAEMO c1cc(CNC[C@@H]2CCC[NH2+]C2)c[nH]1 259078997 573302764 /nfs/dbraw/zinc/30/27/64/573302764.db2.gz SKGBYDYXALMHEA-SNVBAGLBSA-N 1 1 193.294 1.104 10 0 ADAEMO CC[C@H](C)[C@H]1C[N@H+](C)C(C)(C)CN1 82937600 573302859 /nfs/dbraw/zinc/30/28/59/573302859.db2.gz OTGZJEGCGYWVFY-VHSXEESVSA-N 1 1 184.327 1.715 10 0 ADAEMO Cc1ccc([C@@]2(C)[NH2+]C[C@H](C)O2)o1 258285776 573302874 /nfs/dbraw/zinc/30/28/74/573302874.db2.gz BVQMGRSMSXRGQY-WPRPVWTQSA-N 1 1 181.235 1.769 10 0 ADAEMO CC(C)[N@H+]1C[C@@](C)(C2CC2)NC[C@H]1C 82938306 573302884 /nfs/dbraw/zinc/30/28/84/573302884.db2.gz VCOWXHGNIFPUDX-PWSUYJOCSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)N1C[C@@](C)(C2CC2)[NH2+]C[C@H]1C 82938306 573302889 /nfs/dbraw/zinc/30/28/89/573302889.db2.gz VCOWXHGNIFPUDX-PWSUYJOCSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@H+]1C 82938939 573303594 /nfs/dbraw/zinc/30/35/94/573303594.db2.gz FEJSEYGTZZVBKO-MNOVXSKESA-N 1 1 182.311 1.325 10 0 ADAEMO Cc1ccc(C)c([C@H]([NH3+])C2(N)CC2)c1 259409021 573302903 /nfs/dbraw/zinc/30/29/03/573302903.db2.gz MDAAQHNBHCNYHN-NSHDSACASA-N 1 1 190.290 1.795 10 0 ADAEMO c1ncc(C[NH+]2CCSCC2)cn1 306233675 573302974 /nfs/dbraw/zinc/30/29/74/573302974.db2.gz CUQCXICSVIOGIP-UHFFFAOYSA-N 1 1 195.291 1.025 10 0 ADAEMO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1C 82937759 573302996 /nfs/dbraw/zinc/30/29/96/573302996.db2.gz XTILAHGORYECHH-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H]1C[NH2+][C@](C)(CC)CN1C 82937759 573303001 /nfs/dbraw/zinc/30/30/01/573303001.db2.gz XTILAHGORYECHH-NXEZZACHSA-N 1 1 170.300 1.469 10 0 ADAEMO C[N@H+]1C[C@@H]2CCC[C@@H]2[NH2+]CC1(C)C 74300022 573303025 /nfs/dbraw/zinc/30/30/25/573303025.db2.gz YTXZYRFYOPPZOX-UWVGGRQHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C 82938326 573303096 /nfs/dbraw/zinc/30/30/96/573303096.db2.gz CMPWLVRSAZAXID-PSASIEDQSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1C 82938326 573303102 /nfs/dbraw/zinc/30/31/02/573303102.db2.gz CMPWLVRSAZAXID-PSASIEDQSA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)[N@H+]1C[C@@H](C2CC2)NC[C@@H]1C 82938740 573303132 /nfs/dbraw/zinc/30/31/32/573303132.db2.gz PKJAEYMDZYRESK-ONGXEEELSA-N 1 1 182.311 1.467 10 0 ADAEMO CC(C)N1C[C@@H](C2CC2)[NH2+]C[C@@H]1C 82938740 573303135 /nfs/dbraw/zinc/30/31/35/573303135.db2.gz PKJAEYMDZYRESK-ONGXEEELSA-N 1 1 182.311 1.467 10 0 ADAEMO CC[C@H]1CN[C@@](C)(CC)C[N@H+]1CC 82937722 573303161 /nfs/dbraw/zinc/30/31/61/573303161.db2.gz BWPJOECSYZVEJD-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H]1C[NH2+][C@@](C)(CC)CN1CC 82937722 573303164 /nfs/dbraw/zinc/30/31/64/573303164.db2.gz BWPJOECSYZVEJD-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[N@H+]1CC(CC)(CC)NC[C@@H]1C 82938551 573303224 /nfs/dbraw/zinc/30/32/24/573303224.db2.gz OOGXYUYMMIPSFT-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CCN1CC(CC)(CC)[NH2+]C[C@@H]1C 82938551 573303228 /nfs/dbraw/zinc/30/32/28/573303228.db2.gz OOGXYUYMMIPSFT-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC(C)[N@H+]1C[C@H](C2CC2)NCC1(C)C 82939061 573303254 /nfs/dbraw/zinc/30/32/54/573303254.db2.gz NEICPCNFMALRJG-LLVKDONJSA-N 1 1 196.338 1.857 10 0 ADAEMO CC(C)N1C[C@H](C2CC2)[NH2+]CC1(C)C 82939061 573303257 /nfs/dbraw/zinc/30/32/57/573303257.db2.gz NEICPCNFMALRJG-LLVKDONJSA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@H]1CN[C@](C)(CC)C[N@H+]1CC 82937724 573303267 /nfs/dbraw/zinc/30/32/67/573303267.db2.gz BWPJOECSYZVEJD-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H]1C[NH2+][C@](C)(CC)CN1CC 82937724 573303270 /nfs/dbraw/zinc/30/32/70/573303270.db2.gz BWPJOECSYZVEJD-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[N@H+]1C[C@@H](C2CC2)NC[C@]1(C)CC 82939078 573303285 /nfs/dbraw/zinc/30/32/85/573303285.db2.gz HZIJHOTVYMBMKE-RYUDHWBXSA-N 1 1 196.338 1.859 10 0 ADAEMO CCN1C[C@@H](C2CC2)[NH2+]C[C@]1(C)CC 82939078 573303292 /nfs/dbraw/zinc/30/32/92/573303292.db2.gz HZIJHOTVYMBMKE-RYUDHWBXSA-N 1 1 196.338 1.859 10 0 ADAEMO CCC[C@H]1CN[C@](C)(CC)C[N@H+]1C 82937798 573303305 /nfs/dbraw/zinc/30/33/05/573303305.db2.gz FWQVGNWQWGOZJJ-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[C@H]1C[NH2+][C@](C)(CC)CN1C 82937798 573303311 /nfs/dbraw/zinc/30/33/11/573303311.db2.gz FWQVGNWQWGOZJJ-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[N@H+]1CC2(CCCC2)NC[C@@H]1C 82937973 573303381 /nfs/dbraw/zinc/30/33/81/573303381.db2.gz PGVPTZBKYLEDHC-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO CCN1CC2(CCCC2)[NH2+]C[C@@H]1C 82937973 573303388 /nfs/dbraw/zinc/30/33/88/573303388.db2.gz PGVPTZBKYLEDHC-JTQLQIEISA-N 1 1 182.311 1.613 10 0 ADAEMO C[N@H+]1C[C@H]2CCC[C@@H]2[NH2+]CC1(C)C 74300019 573303391 /nfs/dbraw/zinc/30/33/91/573303391.db2.gz YTXZYRFYOPPZOX-ZJUUUORDSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H](C)[C@@H]1C[N@H+](C)C(C)(C)CN1 82937597 573303420 /nfs/dbraw/zinc/30/34/20/573303420.db2.gz OTGZJEGCGYWVFY-ZJUUUORDSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H](C)[C@@H]1C[N@@H+](C)C(C)(C)CN1 82937597 573303428 /nfs/dbraw/zinc/30/34/28/573303428.db2.gz OTGZJEGCGYWVFY-ZJUUUORDSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C 82938329 573303513 /nfs/dbraw/zinc/30/35/13/573303513.db2.gz CMPWLVRSAZAXID-WPRPVWTQSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1CN[C@](C)(C2CC2)C[N@H+]1C 82938329 573303518 /nfs/dbraw/zinc/30/35/18/573303518.db2.gz CMPWLVRSAZAXID-WPRPVWTQSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1C 82938366 573303554 /nfs/dbraw/zinc/30/35/54/573303554.db2.gz SFMCCDMBJWNCEE-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C 82938366 573303562 /nfs/dbraw/zinc/30/35/62/573303562.db2.gz SFMCCDMBJWNCEE-GHMZBOCLSA-N 1 1 182.311 1.469 10 0 ADAEMO [NH3+]Cc1ncc(-c2cncs2)o1 74302410 573303565 /nfs/dbraw/zinc/30/35/65/573303565.db2.gz PAQXSFAOELNURU-UHFFFAOYSA-N 1 1 181.220 1.257 10 0 ADAEMO CC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C 82938862 573303576 /nfs/dbraw/zinc/30/35/76/573303576.db2.gz KRPBZFMIHPHOCX-VHSXEESVSA-N 1 1 168.284 1.079 10 0 ADAEMO CC[C@H]1CN[C@@H](C2CC2)C[N@H+]1C 82938862 573303583 /nfs/dbraw/zinc/30/35/83/573303583.db2.gz KRPBZFMIHPHOCX-VHSXEESVSA-N 1 1 168.284 1.079 10 0 ADAEMO COC(=O)[C@@H](C)[NH2+]CC1CC(C)(C)C1 308545676 573313909 /nfs/dbraw/zinc/31/39/09/573313909.db2.gz VUZFFDMMZKASSP-MRVPVSSYSA-N 1 1 199.294 1.574 10 0 ADAEMO C1CN[C@H](C2CC2)C[N@@H+](CC2CC2)C1 82942029 573313960 /nfs/dbraw/zinc/31/39/60/573313960.db2.gz NBWTZFXRDXYMJR-LBPRGKRZSA-N 1 1 194.322 1.470 10 0 ADAEMO C=Cc1c[nH+]c(C)c(N)c1C 209765481 573313961 /nfs/dbraw/zinc/31/39/61/573313961.db2.gz UROIVDOGVMVFDZ-UHFFFAOYSA-N 1 1 148.209 1.924 10 0 ADAEMO CC(C)C[N@H+]1CCCCN[C@@H](C)C1 259412478 573313204 /nfs/dbraw/zinc/31/32/04/573313204.db2.gz MZGFIRKPULMGIA-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CCC[N@H+]1CCCN[C@@H](CC)C1 82941886 573313226 /nfs/dbraw/zinc/31/32/26/573313226.db2.gz GUHFGDMUDMDFIL-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO CCCN1CCC[NH2+][C@@H](CC)C1 82941886 573313232 /nfs/dbraw/zinc/31/32/32/573313232.db2.gz GUHFGDMUDMDFIL-JTQLQIEISA-N 1 1 170.300 1.470 10 0 ADAEMO C[C@@H](C1CCCC1)[N@H+]1CC[C@H](CO)C1 82946094 573313260 /nfs/dbraw/zinc/31/32/60/573313260.db2.gz RGUDYJQNYOGESJ-QWRGUYRKSA-N 1 1 197.322 1.879 10 0 ADAEMO [NH3+]C[C@]1(c2cccc(Cl)c2)CCN1 258255456 573313391 /nfs/dbraw/zinc/31/33/91/573313391.db2.gz QHQCANMMKMLTFF-JTQLQIEISA-N 1 1 196.681 1.487 10 0 ADAEMO C[C@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1C 82943552 573313408 /nfs/dbraw/zinc/31/34/08/573313408.db2.gz QRLSRECASHWWGT-WPRPVWTQSA-N 1 1 168.284 1.079 10 0 ADAEMO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]1C)C(C)C 308547244 573313449 /nfs/dbraw/zinc/31/34/49/573313449.db2.gz QCBZRHSYQULKRT-IVZWLZJFSA-N 1 1 199.294 1.572 10 0 ADAEMO CSCCC[N@@H+](CCN)C(C)C 129342977 573313482 /nfs/dbraw/zinc/31/34/82/573313482.db2.gz BJAWFZDUBWABTE-UHFFFAOYSA-N 1 1 190.356 1.409 10 0 ADAEMO CSCCCN(CC[NH3+])C(C)C 129342977 573313486 /nfs/dbraw/zinc/31/34/86/573313486.db2.gz BJAWFZDUBWABTE-UHFFFAOYSA-N 1 1 190.356 1.409 10 0 ADAEMO CC1([N@H+]2CC[C@H](CO)C2)CCCC1 82946646 573313511 /nfs/dbraw/zinc/31/35/11/573313511.db2.gz MJIRQPODXBPWEZ-JTQLQIEISA-N 1 1 183.295 1.633 10 0 ADAEMO CCC(C)(C)[N@H+]1CC[C@@H](CO)C1 82946519 573313534 /nfs/dbraw/zinc/31/35/34/573313534.db2.gz YITLTQIKDDQUTQ-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO COC(=O)[C@@]1(CC(C)C)CCCC[NH2+]1 258254637 573313546 /nfs/dbraw/zinc/31/35/46/573313546.db2.gz SYXANXYIELUGGM-NSHDSACASA-N 1 1 199.294 1.718 10 0 ADAEMO CCC[C@@H]1CN(C)CCC[NH2+]1 82941602 573313617 /nfs/dbraw/zinc/31/36/17/573313617.db2.gz COJCAUQHFRGHAB-SECBINFHSA-N 1 1 156.273 1.080 10 0 ADAEMO CC[C@@H](C)C[N@H+]1CCCN[C@H](C)C1 82941350 573313682 /nfs/dbraw/zinc/31/36/82/573313682.db2.gz REFUNRQPJWFPEJ-GHMZBOCLSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@@H]1C[N@@H+](C)[C@H](C)CC[NH2+]1 82943392 573313770 /nfs/dbraw/zinc/31/37/70/573313770.db2.gz WQDGRMYILVAFDX-RKDXNWHRSA-N 1 1 156.273 1.079 10 0 ADAEMO CC[C@@H]1CN(C)[C@H](C)CC[NH2+]1 82943392 573313775 /nfs/dbraw/zinc/31/37/75/573313775.db2.gz WQDGRMYILVAFDX-RKDXNWHRSA-N 1 1 156.273 1.079 10 0 ADAEMO CN1CCC[NH2+][C@](C)(C2CC2)C1 82941730 573313822 /nfs/dbraw/zinc/31/38/22/573313822.db2.gz KOUHPQHCWSLGCO-JTQLQIEISA-N 1 1 168.284 1.080 10 0 ADAEMO CC(C)CC[N@H+]1CCCN[C@@H](C)C1 82941283 573313854 /nfs/dbraw/zinc/31/38/54/573313854.db2.gz OQJBJYKMQSROEC-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CC(C)CCN1CCC[NH2+][C@@H](C)C1 82941283 573313859 /nfs/dbraw/zinc/31/38/59/573313859.db2.gz OQJBJYKMQSROEC-NSHDSACASA-N 1 1 184.327 1.716 10 0 ADAEMO CC(C)[N@H+]1CCCN[C@](C)(C2CC2)C1 82941703 573313878 /nfs/dbraw/zinc/31/38/78/573313878.db2.gz VYTWPHWPJNZIHF-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)N1CCC[NH2+][C@](C)(C2CC2)C1 82941703 573313884 /nfs/dbraw/zinc/31/38/84/573313884.db2.gz VYTWPHWPJNZIHF-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@H]1C[N@@H+](C)[C@H](C)CC[NH2+]1 82942310 573314513 /nfs/dbraw/zinc/31/45/13/573314513.db2.gz SCYOPZAWZONRQJ-NXEZZACHSA-N 1 1 170.300 1.325 10 0 ADAEMO CCC1(CC)C[N@@H+](C)CCC[NH2+]1 82942211 573314554 /nfs/dbraw/zinc/31/45/54/573314554.db2.gz BYLWHZLOZKZPSL-UHFFFAOYSA-N 1 1 170.300 1.470 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+](C)[C@@H](C)CC[NH2+]1 82942308 573314631 /nfs/dbraw/zinc/31/46/31/573314631.db2.gz SCYOPZAWZONRQJ-UWVGGRQHSA-N 1 1 170.300 1.325 10 0 ADAEMO CN[C@@H](c1cccs1)C1([NH3+])CC1 259079801 573314734 /nfs/dbraw/zinc/31/47/34/573314734.db2.gz CNHOQPVXSODXTO-QMMMGPOBSA-N 1 1 182.292 1.500 10 0 ADAEMO C[C@H]([NH3+])Cc1cccc2nc[nH]c12 74308518 573314765 /nfs/dbraw/zinc/31/47/65/573314765.db2.gz NFKARABQLSUKSO-ZETCQYMHSA-N 1 1 175.235 1.453 10 0 ADAEMO C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1C 82943297 573314854 /nfs/dbraw/zinc/31/48/54/573314854.db2.gz STQBFOQHWHBNKE-UWVGGRQHSA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[C@H]1C[N@@H+](C)[C@H](C)CC[NH2+]1 82943112 573314886 /nfs/dbraw/zinc/31/48/86/573314886.db2.gz OXCYVZFFHFMMEK-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CCC[C@H]1CN(C)[C@H](C)CC[NH2+]1 82943112 573314889 /nfs/dbraw/zinc/31/48/89/573314889.db2.gz OXCYVZFFHFMMEK-ZJUUUORDSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 82942023 573314927 /nfs/dbraw/zinc/31/49/27/573314927.db2.gz VGVRWVXAVTVYRD-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CCN1CCC[NH2+][C@@H](C2CC2)C1 82942023 573314932 /nfs/dbraw/zinc/31/49/32/573314932.db2.gz VGVRWVXAVTVYRD-SNVBAGLBSA-N 1 1 168.284 1.080 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC(C)C)CCCN1 82941829 573314972 /nfs/dbraw/zinc/31/49/72/573314972.db2.gz LSCSHAMYSASCBK-LLVKDONJSA-N 1 1 184.327 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184.327 1.844 10 0 ADAEMO C[NH2+]CC(=O)c1cccc(O)c1Cl 106877387 573326590 /nfs/dbraw/zinc/32/65/90/573326590.db2.gz KPLAFMYWQHQTPG-UHFFFAOYSA-N 1 1 199.637 1.448 10 0 ADAEMO CC1=CC(=O)Nc2c[nH+]ccc2N1 143569252 573327111 /nfs/dbraw/zinc/32/71/11/573327111.db2.gz JGHRVJALGIBOLW-UHFFFAOYSA-N 1 1 175.191 1.349 10 0 ADAEMO Cc1ccc(C[NH2+]C[C@H](C)N)s1 50226806 573326877 /nfs/dbraw/zinc/32/68/77/573326877.db2.gz CJWTWCDAXARCDF-ZETCQYMHSA-N 1 1 184.308 1.493 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1C1C(C)(C)C1(C)C 86240947 573326953 /nfs/dbraw/zinc/32/69/53/573326953.db2.gz JSQZXPILQXWHPC-VIFPVBQESA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@H]1CNCC[N@H+]1C1C(C)(C)C1(C)C 86240947 573326959 /nfs/dbraw/zinc/32/69/59/573326959.db2.gz JSQZXPILQXWHPC-VIFPVBQESA-N 1 1 196.338 1.715 10 0 ADAEMO CCC[N@@H+](C1CC1)[C@]1(CN)CC[C@H]1C 308549741 573327070 /nfs/dbraw/zinc/32/70/70/573327070.db2.gz RGTVWRPYSIHUPB-PWSUYJOCSA-N 1 1 196.338 1.988 10 0 ADAEMO CCC[N@@H+](C1CC1)[C@@]1(CN)CC[C@@H]1C 308549739 573327102 /nfs/dbraw/zinc/32/71/02/573327102.db2.gz RGTVWRPYSIHUPB-CMPLNLGQSA-N 1 1 196.338 1.988 10 0 ADAEMO CCN(CC)C(C)(C)[C@H](C)[NH3+] 74342082 573328561 /nfs/dbraw/zinc/32/85/61/573328561.db2.gz WIZKNHUIHHMYTP-QMMMGPOBSA-N 1 1 158.289 1.454 10 0 ADAEMO CC1(C)C(C[N@H+]2CC[C@H](N)C2)C1(C)C 86240368 573328589 /nfs/dbraw/zinc/32/85/89/573328589.db2.gz ICBKIZAYGIWFJZ-VIFPVBQESA-N 1 1 196.338 1.702 10 0 ADAEMO C[N@H+]1CCC[C@@H]1c1ccncc1N 259606880 573328693 /nfs/dbraw/zinc/32/86/93/573328693.db2.gz DMHOLAAPFGDDLB-SNVBAGLBSA-N 1 1 177.251 1.431 10 0 ADAEMO C[C@H]1C[N@@H+](C2C(C)(C)C2(C)C)CCN1 86240915 573328734 /nfs/dbraw/zinc/32/87/34/573328734.db2.gz ANWYIVWXKAAKKA-VIFPVBQESA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@H]1C[N@H+](C2C(C)(C)C2(C)C)CCN1 86240915 573328739 /nfs/dbraw/zinc/32/87/39/573328739.db2.gz ANWYIVWXKAAKKA-VIFPVBQESA-N 1 1 196.338 1.715 10 0 ADAEMO CCC[N@@H+](C1CC1)[C@]1(CN)CC[C@@H]1C 308549740 573328904 /nfs/dbraw/zinc/32/89/04/573328904.db2.gz RGTVWRPYSIHUPB-JQWIXIFHSA-N 1 1 196.338 1.988 10 0 ADAEMO CC1(C)C([N@@H+]2CC[C@@H](N)C2)C1(C)C 86240397 573328987 /nfs/dbraw/zinc/32/89/87/573328987.db2.gz KZSZZZBLBWAPPN-MRVPVSSYSA-N 1 1 182.311 1.454 10 0 ADAEMO CC1(C)C([N@H+]2CC[C@@H](N)C2)C1(C)C 86240397 573328990 /nfs/dbraw/zinc/32/89/90/573328990.db2.gz KZSZZZBLBWAPPN-MRVPVSSYSA-N 1 1 182.311 1.454 10 0 ADAEMO CNC([NH2+]C)c1cccc(C)c1 259419710 573329048 /nfs/dbraw/zinc/32/90/48/573329048.db2.gz NKBDKGACMQVCLZ-UHFFFAOYSA-N 1 1 164.252 1.432 10 0 ADAEMO CC1(C)C([N@@H+]2CCC[C@@H](N)C2)C1(C)C 86240867 573329055 /nfs/dbraw/zinc/32/90/55/573329055.db2.gz BCOLTQBJEUGLIG-SECBINFHSA-N 1 1 196.338 1.844 10 0 ADAEMO CC1(C)C([N@H+]2CCC[C@@H](N)C2)C1(C)C 86240867 573329062 /nfs/dbraw/zinc/32/90/62/573329062.db2.gz BCOLTQBJEUGLIG-SECBINFHSA-N 1 1 196.338 1.844 10 0 ADAEMO C[NH2+]CC(=O)c1ccc(Cl)c(O)c1 106877389 573329156 /nfs/dbraw/zinc/32/91/56/573329156.db2.gz IJPXSHSQAIKSDB-UHFFFAOYSA-N 1 1 199.637 1.448 10 0 ADAEMO CC[NH2+][C@]1(C(=O)OC)CCC[C@@H]2C[C@@H]21 308550355 573329215 /nfs/dbraw/zinc/32/92/15/573329215.db2.gz PSGDFSKTJPDWKS-WCABBAIRSA-N 1 1 197.278 1.328 10 0 ADAEMO CC[N@H+]1CCc2ccc(N)cc2CC1 117171673 573329334 /nfs/dbraw/zinc/32/93/34/573329334.db2.gz PDXYCPBDYIMSCY-UHFFFAOYSA-N 1 1 190.290 1.689 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1CCCCC(N)=O 308349035 573329365 /nfs/dbraw/zinc/32/93/65/573329365.db2.gz XHNPVRVOFXTKRA-DTORHVGOSA-N 1 1 184.283 1.125 10 0 ADAEMO CCCC[N@@H+](C)Cc1cnc(N)nc1 308550297 573329380 /nfs/dbraw/zinc/32/93/80/573329380.db2.gz XFLSDHJIGJVEQY-UHFFFAOYSA-N 1 1 194.282 1.291 10 0 ADAEMO CCC[C@H](N)C[NH2+]CC1(C)CCC1 233355574 573329499 /nfs/dbraw/zinc/32/94/99/573329499.db2.gz GXJSASOKPPCWNA-JTQLQIEISA-N 1 1 184.327 1.894 10 0 ADAEMO C[C@H](N)C[NH2+]C1C(C)(C)C1(C)C 86241170 573329586 /nfs/dbraw/zinc/32/95/86/573329586.db2.gz CHLRBWFLHIPDIA-ZETCQYMHSA-N 1 1 170.300 1.358 10 0 ADAEMO C[C@H]([NH3+])c1nc2ncccc2o1 74341212 573329604 /nfs/dbraw/zinc/32/96/04/573329604.db2.gz RYEBMNBAEDFGFG-YFKPBYRVSA-N 1 1 163.180 1.243 10 0 ADAEMO COC(=O)[C@@H](C(C)C)[C@H]1CC[N@@H+](C)C1 259085327 573329751 /nfs/dbraw/zinc/32/97/51/573329751.db2.gz CVVXHIJPPSTQCH-UWVGGRQHSA-N 1 1 199.294 1.383 10 0 ADAEMO COc1cc(Cl)c2[nH+]c(N)[nH]c2c1 238359725 573329764 /nfs/dbraw/zinc/32/97/64/573329764.db2.gz XPHLKPUPOVBVHO-UHFFFAOYSA-N 1 1 197.625 1.807 10 0 ADAEMO CCC[C@@H]([NH3+])C(C)(C)N(C)C 74342085 573329805 /nfs/dbraw/zinc/32/98/05/573329805.db2.gz FDHVLYUYZHWNQU-MRVPVSSYSA-N 1 1 158.289 1.454 10 0 ADAEMO CC1(C)C(C[N@@H+]2CCC(=O)C2)C1(C)C 86240358 573329928 /nfs/dbraw/zinc/32/99/28/573329928.db2.gz HTNBNNRTRICBFW-UHFFFAOYSA-N 1 1 195.306 1.943 10 0 ADAEMO CC1(C)C(C[N@H+]2CCC(=O)C2)C1(C)C 86240358 573329933 /nfs/dbraw/zinc/32/99/33/573329933.db2.gz HTNBNNRTRICBFW-UHFFFAOYSA-N 1 1 195.306 1.943 10 0 ADAEMO CC(C)C[C@H]([NH3+])c1cnc[nH]1 74343047 573329940 /nfs/dbraw/zinc/32/99/40/573329940.db2.gz ARTAAZVLOPIVPP-ZETCQYMHSA-N 1 1 153.229 1.456 10 0 ADAEMO CC[C@H](CC[NH3+])N1CC2CCC1CC2 308549578 573329985 /nfs/dbraw/zinc/32/99/85/573329985.db2.gz WYHSCHWDPXPXIL-MOENNCHZSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1CNCC[N@@H+]1C1C(C)(C)C1(C)C 86240946 573330037 /nfs/dbraw/zinc/33/00/37/573330037.db2.gz JSQZXPILQXWHPC-SECBINFHSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@@H]1CNCC[N@H+]1C1C(C)(C)C1(C)C 86240946 573330044 /nfs/dbraw/zinc/33/00/44/573330044.db2.gz JSQZXPILQXWHPC-SECBINFHSA-N 1 1 196.338 1.715 10 0 ADAEMO COc1cc(C(=O)C[NH3+])ccc1Cl 106877383 573331194 /nfs/dbraw/zinc/33/11/94/573331194.db2.gz QWOZDDHAECDOOC-UHFFFAOYSA-N 1 1 199.637 1.490 10 0 ADAEMO CCN(CC)C(C)(C)[C@@H](C)[NH3+] 74342080 573331318 /nfs/dbraw/zinc/33/13/18/573331318.db2.gz WIZKNHUIHHMYTP-MRVPVSSYSA-N 1 1 158.289 1.454 10 0 ADAEMO CCCOC[C@@H]([NH3+])c1ncc(C)cn1 132653496 573331409 /nfs/dbraw/zinc/33/14/09/573331409.db2.gz YMPRPEZUVJAHIY-SECBINFHSA-N 1 1 195.266 1.211 10 0 ADAEMO CCC[NH2+]Cc1noc(C(C)(C)C)n1 308549829 573331624 /nfs/dbraw/zinc/33/16/24/573331624.db2.gz WYOSSHIROZABDC-UHFFFAOYSA-N 1 1 197.282 1.867 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1C(C)(C)ON 259420491 573331637 /nfs/dbraw/zinc/33/16/37/573331637.db2.gz JNMYUJORSRBMSE-MRVPVSSYSA-N 1 1 172.272 1.140 10 0 ADAEMO CC[C@@H](C[NH3+])[C@@H](NC)c1ccc(C)o1 259419287 573331733 /nfs/dbraw/zinc/33/17/33/573331733.db2.gz YFCFDVBYVYZRFP-GXSJLCMTSA-N 1 1 196.294 1.833 10 0 ADAEMO CC[C@@H](CC[NH3+])N1CC2CCC1CC2 308549577 573331739 /nfs/dbraw/zinc/33/17/39/573331739.db2.gz WYHSCHWDPXPXIL-CXQJBGSLSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)C[C@@H]([NH3+])c1cnc[nH]1 74343048 573331842 /nfs/dbraw/zinc/33/18/42/573331842.db2.gz ARTAAZVLOPIVPP-SSDOTTSWSA-N 1 1 153.229 1.456 10 0 ADAEMO COc1cc(F)cn2c(N)c[nH+]c12 238358694 573334412 /nfs/dbraw/zinc/33/44/12/573334412.db2.gz ACVUCKSCUXEKGO-UHFFFAOYSA-N 1 1 181.170 1.064 10 0 ADAEMO COc1cc(F)cn2c[nH+]cc12 238358805 573334480 /nfs/dbraw/zinc/33/44/80/573334480.db2.gz BJNPSLSHPOBAFE-UHFFFAOYSA-N 1 1 166.155 1.482 10 0 ADAEMO CN[C@H](c1ccccc1F)[C@@H](C)C[NH3+] 259423522 573334533 /nfs/dbraw/zinc/33/45/33/573334533.db2.gz MVJQWNSYZSNMEQ-KWQFWETISA-N 1 1 196.269 1.681 10 0 ADAEMO CCC1(C[N@@H+](C)[C@H](C)CN)CCC1 308345195 573334547 /nfs/dbraw/zinc/33/45/47/573334547.db2.gz UTNCRFWKFGLUAY-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC1(CN(C)[C@H](C)C[NH3+])CCC1 308345195 573334551 /nfs/dbraw/zinc/33/45/51/573334551.db2.gz UTNCRFWKFGLUAY-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO CCOc1ccccc1[C@H](CN)[NH2+]C 50269821 573334709 /nfs/dbraw/zinc/33/47/09/573334709.db2.gz QLEYSCNWLUBILH-JTQLQIEISA-N 1 1 194.278 1.305 10 0 ADAEMO [NH3+]CC1=CCN(Cc2ccco2)CC1 259087658 573334769 /nfs/dbraw/zinc/33/47/69/573334769.db2.gz DHGPGFOFKZYXHW-UHFFFAOYSA-N 1 1 192.262 1.370 10 0 ADAEMO CC[NH2+][C@H](CN)c1cccc(F)c1 50270129 573334801 /nfs/dbraw/zinc/33/48/01/573334801.db2.gz PQVCHVRIGDXEHE-SNVBAGLBSA-N 1 1 182.242 1.435 10 0 ADAEMO C[C@]1(C2CC2)C[NH2+]C2(CCCC2)CN1 82960923 573334857 /nfs/dbraw/zinc/33/48/57/573334857.db2.gz IJCZDADFCKJACJ-LLVKDONJSA-N 1 1 194.322 1.661 10 0 ADAEMO Cc1c[nH+]c2c(N)c(Cl)ccn12 74377387 573334864 /nfs/dbraw/zinc/33/48/64/573334864.db2.gz VMJMQNDENVEIIM-UHFFFAOYSA-N 1 1 181.626 1.878 10 0 ADAEMO CC[C@]1(C)CN[C@H](C(C)C)C[NH2+]1 82960696 573334878 /nfs/dbraw/zinc/33/48/78/573334878.db2.gz MIZRYKBLQAXKET-VHSXEESVSA-N 1 1 170.300 1.373 10 0 ADAEMO C1CCC([C@H]2CNCCC[NH2+]2)CC1 82960983 573338412 /nfs/dbraw/zinc/33/84/12/573338412.db2.gz GQNMZTZZDOUIMP-LLVKDONJSA-N 1 1 182.311 1.518 10 0 ADAEMO COc1cc(F)cc2[nH]c(N)[nH+]c12 238354490 573337674 /nfs/dbraw/zinc/33/76/74/573337674.db2.gz SKHOFASBMZLLRQ-UHFFFAOYSA-N 1 1 181.170 1.293 10 0 ADAEMO CC[C@]1(C)CN[C@@H](C(C)(C)C)C[NH2+]1 82960803 573337725 /nfs/dbraw/zinc/33/77/25/573337725.db2.gz ABLQJXLCUFITGX-MWLCHTKSSA-N 1 1 184.327 1.763 10 0 ADAEMO CCN[C@H](C[NH3+])c1cccc(C)c1 50270107 573337737 /nfs/dbraw/zinc/33/77/37/573337737.db2.gz DOSDVWLDJYWPAT-LLVKDONJSA-N 1 1 178.279 1.604 10 0 ADAEMO CC1(C)CC[C@H]1[NH2+]CCNCC1CC1 308560207 573337753 /nfs/dbraw/zinc/33/77/53/573337753.db2.gz WUDNJWHECQWUKT-LLVKDONJSA-N 1 1 196.338 1.764 10 0 ADAEMO CC(C)(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1 82960811 573337771 /nfs/dbraw/zinc/33/77/71/573337771.db2.gz RCCRSNAQQKNUCN-CMPLNLGQSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@@H]1CNC(CC)(CC)C[NH2+]1 82960767 573337784 /nfs/dbraw/zinc/33/77/84/573337784.db2.gz VRBRYMYTYNAUIR-SECBINFHSA-N 1 1 170.300 1.517 10 0 ADAEMO CC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)CN1 82960716 573337824 /nfs/dbraw/zinc/33/78/24/573337824.db2.gz OOZLRNIGSPMXDW-BDAKNGLRSA-N 1 1 170.300 1.373 10 0 ADAEMO C[N@@H+]1CC(=O)C[C@H]2CCCC[C@@H]21 238354336 573337844 /nfs/dbraw/zinc/33/78/44/573337844.db2.gz SISJWSGECPXIEM-SCZZXKLOSA-N 1 1 167.252 1.450 10 0 ADAEMO CCC1(CC)C[NH2+][C@H](C)CN1 82960606 573337850 /nfs/dbraw/zinc/33/78/50/573337850.db2.gz MIPXLHSUONAUJJ-MRVPVSSYSA-N 1 1 156.273 1.127 10 0 ADAEMO C[N@H+]1CC(=O)C[C@H]2CCCC[C@@H]21 238354336 573337852 /nfs/dbraw/zinc/33/78/52/573337852.db2.gz SISJWSGECPXIEM-SCZZXKLOSA-N 1 1 167.252 1.450 10 0 ADAEMO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1 82960774 573337863 /nfs/dbraw/zinc/33/78/63/573337863.db2.gz MGHMXVABHQHBCO-VHSXEESVSA-N 1 1 168.284 1.127 10 0 ADAEMO CC[NH2+][C@@H](CN)c1ccccc1OC 50270130 573337890 /nfs/dbraw/zinc/33/78/90/573337890.db2.gz ROSRTHYQCDCAJX-JTQLQIEISA-N 1 1 194.278 1.305 10 0 ADAEMO CCC[C@H]1C[NH2+][C@@H](CC)CN1 82960631 573337893 /nfs/dbraw/zinc/33/78/93/573337893.db2.gz XLLPPVNHSFIWMZ-IUCAKERBSA-N 1 1 156.273 1.127 10 0 ADAEMO CCC1(CC)CN[C@H](C(C)C)C[NH2+]1 82960700 573337938 /nfs/dbraw/zinc/33/79/38/573337938.db2.gz DBGPWDKEJBYDLQ-JTQLQIEISA-N 1 1 184.327 1.763 10 0 ADAEMO CCN[C@@H](C[NH3+])c1cccc(C)c1 50270106 573337942 /nfs/dbraw/zinc/33/79/42/573337942.db2.gz DOSDVWLDJYWPAT-NSHDSACASA-N 1 1 178.279 1.604 10 0 ADAEMO CCC[C@H]1C[NH2+][C@H](CC)CN1 82960629 573337967 /nfs/dbraw/zinc/33/79/67/573337967.db2.gz XLLPPVNHSFIWMZ-BDAKNGLRSA-N 1 1 156.273 1.127 10 0 ADAEMO Cc1nc2cc(C(=O)C[NH3+])ccc2[nH]1 74366314 573337987 /nfs/dbraw/zinc/33/79/87/573337987.db2.gz LQDFVVUJIKTZGY-UHFFFAOYSA-N 1 1 189.218 1.013 10 0 ADAEMO CC[C@]1(C)CN[C@H](C(C)(C)C)C[NH2+]1 82960801 573338007 /nfs/dbraw/zinc/33/80/07/573338007.db2.gz ABLQJXLCUFITGX-GXSJLCMTSA-N 1 1 184.327 1.763 10 0 ADAEMO CC(C)C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1 82960837 573338018 /nfs/dbraw/zinc/33/80/18/573338018.db2.gz CLXDZIHCBXBYJL-VXGBXAGGSA-N 1 1 196.338 1.763 10 0 ADAEMO CC[C@@H]1CNC2(CCCCC2)C[NH2+]1 82960771 573338043 /nfs/dbraw/zinc/33/80/43/573338043.db2.gz WYDWHLWCGPOUSO-SNVBAGLBSA-N 1 1 182.311 1.661 10 0 ADAEMO C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1 82960613 573338076 /nfs/dbraw/zinc/33/80/76/573338076.db2.gz URAJZFWFWVBZCQ-CMPLNLGQSA-N 1 1 190.290 1.483 10 0 ADAEMO CC1(C)CN[C@@H](C2CCCCC2)C[NH2+]1 82960725 573338150 /nfs/dbraw/zinc/33/81/50/573338150.db2.gz KEJRBUPHFZLPOT-LLVKDONJSA-N 1 1 196.338 1.907 10 0 ADAEMO CC[C@@H](C)[C@H]1C[NH2+]C(C)(C)CN1 82960718 573338168 /nfs/dbraw/zinc/33/81/68/573338168.db2.gz OOZLRNIGSPMXDW-RKDXNWHRSA-N 1 1 170.300 1.373 10 0 ADAEMO CCC[C@@H]1C[NH2+][C@@H](CC)CN1 82960630 573338186 /nfs/dbraw/zinc/33/81/86/573338186.db2.gz XLLPPVNHSFIWMZ-DTWKUNHWSA-N 1 1 156.273 1.127 10 0 ADAEMO CCC1(CC)C[NH2+][C@@H](C2CC2)CN1 82960955 573338197 /nfs/dbraw/zinc/33/81/97/573338197.db2.gz XPONJEXDHDEKTL-SNVBAGLBSA-N 1 1 182.311 1.517 10 0 ADAEMO CCOc1cccc([C@@H](CN)[NH2+]C)c1 50270003 573338211 /nfs/dbraw/zinc/33/82/11/573338211.db2.gz CGRPDAHBRZHUIH-LLVKDONJSA-N 1 1 194.278 1.305 10 0 ADAEMO C[C@@H]1CNC2(CCCCC2)C[NH2+]1 82960610 573338222 /nfs/dbraw/zinc/33/82/22/573338222.db2.gz ZBOMDCOSEYNVFG-SECBINFHSA-N 1 1 168.284 1.271 10 0 ADAEMO CC[C@]1(C)C[NH2+]C(C)(C)CN1 82960726 573338265 /nfs/dbraw/zinc/33/82/65/573338265.db2.gz AJFIBTJGFLWDKQ-SECBINFHSA-N 1 1 156.273 1.127 10 0 ADAEMO CC[C@@H]1C[NH2+]C2(CCCC2)CN1 82960769 573338274 /nfs/dbraw/zinc/33/82/74/573338274.db2.gz LSCOZORFDGDVKB-SECBINFHSA-N 1 1 168.284 1.271 10 0 ADAEMO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1 82960702 573338313 /nfs/dbraw/zinc/33/83/13/573338313.db2.gz DNHSMDWDMFSNSZ-JTQLQIEISA-N 1 1 182.311 1.517 10 0 ADAEMO CCC[C@H]1C[NH2+][C@](C)(CC)CN1 82960665 573338326 /nfs/dbraw/zinc/33/83/26/573338326.db2.gz YOTYIYVUYAFPGG-VHSXEESVSA-N 1 1 170.300 1.517 10 0 ADAEMO CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960640 573338367 /nfs/dbraw/zinc/33/83/67/573338367.db2.gz HSOLXALXRCJHNY-ZJUUUORDSA-N 1 1 184.327 1.763 10 0 ADAEMO CCC[C@@H]1C[NH2+][C@](C)(CC)CN1 82960664 573338402 /nfs/dbraw/zinc/33/84/02/573338402.db2.gz YOTYIYVUYAFPGG-NXEZZACHSA-N 1 1 170.300 1.517 10 0 ADAEMO CC(C)[N@@H+](C)[C@@H](CN)C1CCCC1 50272048 573342035 /nfs/dbraw/zinc/34/20/35/573342035.db2.gz RLMFLGYIBSYJOH-NSHDSACASA-N 1 1 184.327 1.844 10 0 ADAEMO COC(=O)CCC[C@@H]1CCCC[N@H+]1C 220012068 573342105 /nfs/dbraw/zinc/34/21/05/573342105.db2.gz ZVTDYJUJGUQRLQ-JTQLQIEISA-N 1 1 199.294 1.814 10 0 ADAEMO CNc1nc(C)c([C@H]2CC[N@@H+](C)C2)o1 259090477 573342126 /nfs/dbraw/zinc/34/21/26/573342126.db2.gz JEJKNJFSENPISQ-QMMMGPOBSA-N 1 1 195.266 1.444 10 0 ADAEMO Cc1ccsc1[C@@H](C[NH3+])NC1CC1 50271157 573342134 /nfs/dbraw/zinc/34/21/34/573342134.db2.gz IZXIEGYXFGFQPG-SECBINFHSA-N 1 1 196.319 1.808 10 0 ADAEMO C[N@H+]1CC[C@@H](CC2(O)CCCC2)C1 258005060 573342211 /nfs/dbraw/zinc/34/22/11/573342211.db2.gz MIUUGXQLSJVANT-JTQLQIEISA-N 1 1 183.295 1.633 10 0 ADAEMO COCCc1cn2c([nH+]1)CCC[C@H]2C 258287209 573342222 /nfs/dbraw/zinc/34/22/22/573342222.db2.gz IWIJXDNPVRKERQ-SECBINFHSA-N 1 1 194.278 1.969 10 0 ADAEMO CCCCCc1nnc(C[NH3+])o1 50283458 573342266 /nfs/dbraw/zinc/34/22/66/573342266.db2.gz RIHWWUQSCXMIPA-UHFFFAOYSA-N 1 1 169.228 1.261 10 0 ADAEMO Cc1ccccc1[C@@H](CN)[NH2+]C1CC1 50271107 573342310 /nfs/dbraw/zinc/34/23/10/573342310.db2.gz WYHBZSUHJZGYNN-GFCCVEGCSA-N 1 1 190.290 1.747 10 0 ADAEMO CCN[C@@H](C[NH3+])c1sccc1C 50270152 573342333 /nfs/dbraw/zinc/34/23/33/573342333.db2.gz DMKCFWOFVWGMFB-QMMMGPOBSA-N 1 1 184.308 1.666 10 0 ADAEMO CCC(CC)c1nnc([C@H](C)[NH3+])o1 50284243 573342351 /nfs/dbraw/zinc/34/23/51/573342351.db2.gz XPYCAKFCVYNVLY-LURJTMIESA-N 1 1 183.255 1.993 10 0 ADAEMO COc1cccc2c1[C@H](O)C[N@@H+](C)C2 238362836 573342412 /nfs/dbraw/zinc/34/24/12/573342412.db2.gz CMQFFLCZKCKTRG-SECBINFHSA-N 1 1 193.246 1.174 10 0 ADAEMO CCC[NH2+][C@@H](CN)c1ccco1 50270510 573342483 /nfs/dbraw/zinc/34/24/83/573342483.db2.gz AQPWVFOGDSVRNC-QMMMGPOBSA-N 1 1 168.240 1.279 10 0 ADAEMO C[N@H+](C1CC1)[C@H](CN)C1CCCC1 50272129 573342524 /nfs/dbraw/zinc/34/25/24/573342524.db2.gz LZMKXNOWXZHCNH-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO CN(C1CC1)[C@H](C[NH3+])C1CCCC1 50272129 573342532 /nfs/dbraw/zinc/34/25/32/573342532.db2.gz LZMKXNOWXZHCNH-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO CC(C)[NH2+][C@H](CN)c1ccsc1 50270807 573342556 /nfs/dbraw/zinc/34/25/56/573342556.db2.gz QUTVBQGKKYJGOK-SECBINFHSA-N 1 1 184.308 1.746 10 0 ADAEMO C[C@H]1CC[N@H+]1[C@@H](C[NH3+])C1CCCC1 235562983 573342578 /nfs/dbraw/zinc/34/25/78/573342578.db2.gz MDCBFWSRVPVRDC-ONGXEEELSA-N 1 1 182.311 1.598 10 0 ADAEMO NC[C@@H]([NH2+]C1CC1)c1ccc(F)cc1 50271185 573342592 /nfs/dbraw/zinc/34/25/92/573342592.db2.gz ILJIIAIAYIJEPB-LLVKDONJSA-N 1 1 194.253 1.578 10 0 ADAEMO COCCc1cn2c([nH+]1)CCC[C@@H]2C 258287213 573342594 /nfs/dbraw/zinc/34/25/94/573342594.db2.gz IWIJXDNPVRKERQ-VIFPVBQESA-N 1 1 194.278 1.969 10 0 ADAEMO NCC1([N@@H+]2CC[C@H]3CCCC[C@@H]32)CC1 236173661 573342616 /nfs/dbraw/zinc/34/26/16/573342616.db2.gz IJGHXGQBZXLLAY-MNOVXSKESA-N 1 1 194.322 1.742 10 0 ADAEMO NCC1([N@H+]2CC[C@H]3CCCC[C@@H]32)CC1 236173661 573342639 /nfs/dbraw/zinc/34/26/39/573342639.db2.gz IJGHXGQBZXLLAY-MNOVXSKESA-N 1 1 194.322 1.742 10 0 ADAEMO CCN[C@H](C[NH3+])c1ccc(C)s1 50270299 573342650 /nfs/dbraw/zinc/34/26/50/573342650.db2.gz WPCIIYKCPRBKLO-MRVPVSSYSA-N 1 1 184.308 1.666 10 0 ADAEMO C[C@H]1CCC[N@H+]1C[C@@H](O)C(F)F 235562766 573342667 /nfs/dbraw/zinc/34/26/67/573342667.db2.gz OEIVOZVMLADISE-NKWVEPMBSA-N 1 1 179.210 1.097 10 0 ADAEMO Cc1ccc([C@H](CN)[NH2+]C2CC2)cc1 50271110 573342693 /nfs/dbraw/zinc/34/26/93/573342693.db2.gz KRSWDCOJUPENIC-LBPRGKRZSA-N 1 1 190.290 1.747 10 0 ADAEMO CCCN[C@@H](C[NH3+])c1cccc(F)c1 50270462 573342713 /nfs/dbraw/zinc/34/27/13/573342713.db2.gz ZFUBKCUZWYMGSX-NSHDSACASA-N 1 1 196.269 1.825 10 0 ADAEMO CC(C)[C@]1(CCN(C)C)CCC[NH2+]1 258307817 573342776 /nfs/dbraw/zinc/34/27/76/573342776.db2.gz VEJDXANURVBZFT-LLVKDONJSA-N 1 1 184.327 1.716 10 0 ADAEMO CC(C)C(=O)C[N@@H+](C)C1CC1 86276317 573347785 /nfs/dbraw/zinc/34/77/85/573347785.db2.gz CEFNJLUMFZXXMJ-UHFFFAOYSA-N 1 1 155.241 1.306 10 0 ADAEMO CCOC(=O)[C@@H](CC)[NH2+]C1CC=CC1 132900932 573347800 /nfs/dbraw/zinc/34/78/00/573347800.db2.gz KNQGSIUYCJSSTB-SNVBAGLBSA-N 1 1 197.278 1.636 10 0 ADAEMO CC(C)C(=O)C[N@H+]1CC[C@@H](C)C1 86276375 573347816 /nfs/dbraw/zinc/34/78/16/573347816.db2.gz FYRPGDJOWLVQFM-SECBINFHSA-N 1 1 169.268 1.553 10 0 ADAEMO CCCc1n[nH]c([C@H]2CC[NH2+][C@H]2C)n1 86270280 573347846 /nfs/dbraw/zinc/34/78/46/573347846.db2.gz FRTIOSUKJHQDHU-YUMQZZPRSA-N 1 1 194.282 1.223 10 0 ADAEMO CCCc1nc([C@H]2CC[NH2+][C@H]2C)n[nH]1 86270280 573347848 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/nfs/dbraw/zinc/36/21/50/573362150.db2.gz VKHQFHGINYMADY-UHFFFAOYSA-N 1 1 199.257 1.958 10 0 ADAEMO CC[N@H+]1CC[C@@H]([C@H]2NC(C)(C)CO2)C1 258314699 573366017 /nfs/dbraw/zinc/36/60/17/573366017.db2.gz DAOPXVNTHRFPNV-ZJUUUORDSA-N 1 1 198.310 1.053 10 0 ADAEMO O[C@@H]1CCc2[nH+]c(C3CC3)cn2C1 258312752 573366099 /nfs/dbraw/zinc/36/60/99/573366099.db2.gz JXGNDYQLRPBSFW-MRVPVSSYSA-N 1 1 178.235 1.068 10 0 ADAEMO C[C@@H]1[C@@H](O)CC[C@H]1c1[nH+]ccn1C 83035497 573366392 /nfs/dbraw/zinc/36/63/92/573366392.db2.gz ARGPVHCIKYTWKY-YIZRAAEISA-N 1 1 180.251 1.295 10 0 ADAEMO C[NH2+][C@@H](c1ccc(C)cc1)N(C)C 259609609 573366429 /nfs/dbraw/zinc/36/64/29/573366429.db2.gz QTQWPBMAKHVJJI-LLVKDONJSA-N 1 1 178.279 1.775 10 0 ADAEMO CCn1cc[nH+]c1[C@H]1CC[C@@H](O)[C@@H]1C 83036633 573366446 /nfs/dbraw/zinc/36/64/46/573366446.db2.gz QVZNYEMMTUMZKO-KXUCPTDWSA-N 1 1 194.278 1.777 10 0 ADAEMO C[C@@H]1[C@@H](O)CC[C@@H]1c1ccc[nH+]c1N 83036420 573366577 /nfs/dbraw/zinc/36/65/77/573366577.db2.gz HCQKWZKPSGRTTN-NRPADANISA-N 1 1 192.262 1.538 10 0 ADAEMO C1CCC([NH2+]N2CCOCC2)CC1 78158608 573366683 /nfs/dbraw/zinc/36/66/83/573366683.db2.gz UNQWPCJRFXTMJT-UHFFFAOYSA-N 1 1 184.283 1.156 10 0 ADAEMO CC[N@H+]1CCC[C@H](CCCON)C1 258008262 573369958 /nfs/dbraw/zinc/36/99/58/573369958.db2.gz QRFLUZZTMDKYHO-SNVBAGLBSA-N 1 1 186.299 1.389 10 0 ADAEMO CC[N@@H+]1CCCC[C@@H]1[C@@]1(C)NCCO1 258325601 573370001 /nfs/dbraw/zinc/37/00/01/573370001.db2.gz DMUBGHZKMJCMTD-MNOVXSKESA-N 1 1 198.310 1.197 10 0 ADAEMO CC[N@H+]1CCCC[C@@H]1[C@@]1(C)NCCO1 258325601 573370007 /nfs/dbraw/zinc/37/00/07/573370007.db2.gz DMUBGHZKMJCMTD-MNOVXSKESA-N 1 1 198.310 1.197 10 0 ADAEMO C[NH2+]C[C@H](CN)c1ccc(Cl)o1 258324193 573370028 /nfs/dbraw/zinc/37/00/28/573370028.db2.gz YDCRGXZSAXJXPX-LURJTMIESA-N 1 1 188.658 1.195 10 0 ADAEMO [NH3+][C@H]1CCN[C@H](Cc2ccccc2)C1 107134775 573370034 /nfs/dbraw/zinc/37/00/34/573370034.db2.gz BZZJOBSXKJQQTF-NWDGAFQWSA-N 1 1 190.290 1.308 10 0 ADAEMO C[C@@H]([NH3+])[C@@H](C1CCC1)N(C)C 259428661 573370036 /nfs/dbraw/zinc/37/00/36/573370036.db2.gz IIWSSHGTZNBINI-APPZFPTMSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)C[N@@H+]1CC[C@@](F)(CN)C1 259610116 573370105 /nfs/dbraw/zinc/37/01/05/573370105.db2.gz DQHMXDIASUPEQE-SECBINFHSA-N 1 1 174.263 1.015 10 0 ADAEMO C[C@H](CN)[N@H+](C)[C@@H]1CCCSC1 107133702 573370111 /nfs/dbraw/zinc/37/01/11/573370111.db2.gz CUXAJPOZLLANCX-RKDXNWHRSA-N 1 1 188.340 1.161 10 0 ADAEMO CC(C)C[N@H+]1CC[C@@](F)(CN)C1 259610116 573370113 /nfs/dbraw/zinc/37/01/13/573370113.db2.gz DQHMXDIASUPEQE-SECBINFHSA-N 1 1 174.263 1.015 10 0 ADAEMO C[C@H](CN)[N@@H+](C)[C@@H]1CCCSC1 107133702 573370118 /nfs/dbraw/zinc/37/01/18/573370118.db2.gz CUXAJPOZLLANCX-RKDXNWHRSA-N 1 1 188.340 1.161 10 0 ADAEMO N[C@@H](c1ccccc1)[C@H]1CCC[NH2+]C1 107134762 573370173 /nfs/dbraw/zinc/37/01/73/573370173.db2.gz AKVWZUZQGNZOHI-RYUDHWBXSA-N 1 1 190.290 1.686 10 0 ADAEMO CC(C)Nc1ccccc1C(=O)C[NH3+] 107135762 573370250 /nfs/dbraw/zinc/37/02/50/573370250.db2.gz MMVDOMNGSZXKKF-UHFFFAOYSA-N 1 1 192.262 1.648 10 0 ADAEMO C[C@@H](CC(F)F)[NH2+]CC1(N)CCC1 308366634 573370281 /nfs/dbraw/zinc/37/02/81/573370281.db2.gz IAETWYUYUVLKND-ZETCQYMHSA-N 1 1 192.253 1.501 10 0 ADAEMO C[C@@H](CC(F)F)NCC1([NH3+])CCC1 308366634 573370290 /nfs/dbraw/zinc/37/02/90/573370290.db2.gz IAETWYUYUVLKND-ZETCQYMHSA-N 1 1 192.253 1.501 10 0 ADAEMO C[C@H](CC(F)F)[NH2+]CC1(N)CCC1 308366632 573370331 /nfs/dbraw/zinc/37/03/31/573370331.db2.gz IAETWYUYUVLKND-SSDOTTSWSA-N 1 1 192.253 1.501 10 0 ADAEMO C[C@H](CC(F)F)NCC1([NH3+])CCC1 308366632 573370336 /nfs/dbraw/zinc/37/03/36/573370336.db2.gz IAETWYUYUVLKND-SSDOTTSWSA-N 1 1 192.253 1.501 10 0 ADAEMO CCCC1(O)C[C@@H]2CC[C@H](C1)[N@H+]2C 107129875 573370375 /nfs/dbraw/zinc/37/03/75/573370375.db2.gz BVQZHQLIOYYGPS-ZACCUICWSA-N 1 1 183.295 1.774 10 0 ADAEMO N[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]C1 107134756 573370491 /nfs/dbraw/zinc/37/04/91/573370491.db2.gz AKVWZUZQGNZOHI-NEPJUHHUSA-N 1 1 190.290 1.686 10 0 ADAEMO N[C@H](c1ccccc1)[C@H]1CCC[NH2+]C1 107134766 573370628 /nfs/dbraw/zinc/37/06/28/573370628.db2.gz AKVWZUZQGNZOHI-NWDGAFQWSA-N 1 1 190.290 1.686 10 0 ADAEMO CN[C@H]([NH3+])c1ccc(F)c(F)c1 259429679 573370682 /nfs/dbraw/zinc/37/06/82/573370682.db2.gz PLKIFTBRCOBAOD-QMMMGPOBSA-N 1 1 172.178 1.142 10 0 ADAEMO CC[N@@H+]1CCC[C@@H]1[C@]1(C)NC[C@@H](C)O1 258325135 573370776 /nfs/dbraw/zinc/37/07/76/573370776.db2.gz DLXAKQZQKMLTBS-GMTAPVOTSA-N 1 1 198.310 1.195 10 0 ADAEMO CC[N@H+]1CCC[C@@H]1[C@]1(C)NC[C@@H](C)O1 258325135 573370781 /nfs/dbraw/zinc/37/07/81/573370781.db2.gz DLXAKQZQKMLTBS-GMTAPVOTSA-N 1 1 198.310 1.195 10 0 ADAEMO CC(C)C1(O)C[C@@H]2CC[C@H](C1)[N@H+]2C 107129866 573370783 /nfs/dbraw/zinc/37/07/83/573370783.db2.gz BVDYMZLJWCLNIZ-ZACCUICWSA-N 1 1 183.295 1.630 10 0 ADAEMO CN[C@@H]([NH3+])c1ccc(F)c(F)c1 259429677 573370785 /nfs/dbraw/zinc/37/07/85/573370785.db2.gz PLKIFTBRCOBAOD-MRVPVSSYSA-N 1 1 172.178 1.142 10 0 ADAEMO Cc1ccccc1[C@H]1C[C@@H]([NH3+])CCN1 107134730 573370871 /nfs/dbraw/zinc/37/08/71/573370871.db2.gz OWDLSTXAECMQIH-CMPLNLGQSA-N 1 1 190.290 1.747 10 0 ADAEMO N[C@@H](c1ccncc1)C1(C[NH3+])CCC1 259429512 573371008 /nfs/dbraw/zinc/37/10/08/573371008.db2.gz NBLYTFYHUYZTPB-JTQLQIEISA-N 1 1 191.278 1.210 10 0 ADAEMO NC[C@]1(c2ccccc2Cl)CC[NH2+]1 258320540 573371182 /nfs/dbraw/zinc/37/11/82/573371182.db2.gz UHKBGXAPKXDPOZ-JTQLQIEISA-N 1 1 196.681 1.487 10 0 ADAEMO CC(C)C[N@@H+]1CC[C@](F)(CN)C1 259610121 573371218 /nfs/dbraw/zinc/37/12/18/573371218.db2.gz DQHMXDIASUPEQE-VIFPVBQESA-N 1 1 174.263 1.015 10 0 ADAEMO CC(C)C[N@H+]1CC[C@](F)(CN)C1 259610121 573371223 /nfs/dbraw/zinc/37/12/23/573371223.db2.gz DQHMXDIASUPEQE-VIFPVBQESA-N 1 1 174.263 1.015 10 0 ADAEMO CC[N@@H+]1CCCC[C@H]1[C@@]1(C)NCCO1 258325611 573371308 /nfs/dbraw/zinc/37/13/08/573371308.db2.gz DMUBGHZKMJCMTD-QWRGUYRKSA-N 1 1 198.310 1.197 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1[C@@]1(C)NCCO1 258325611 573371314 /nfs/dbraw/zinc/37/13/14/573371314.db2.gz DMUBGHZKMJCMTD-QWRGUYRKSA-N 1 1 198.310 1.197 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H]1C 83043419 573371357 /nfs/dbraw/zinc/37/13/57/573371357.db2.gz BEJGOKMPUKNLCJ-DOLQZWNJSA-N 1 1 199.294 1.572 10 0 ADAEMO OC[C@@H]1CCCn2c1c[nH+]c2C1CC1 258016699 573371499 /nfs/dbraw/zinc/37/14/99/573371499.db2.gz BSFOUNLLDGCVRM-VIFPVBQESA-N 1 1 192.262 1.630 10 0 ADAEMO C[N@H+]1C[C@@H](C2CCC2)C[C@H]1CN 258639824 573371548 /nfs/dbraw/zinc/37/15/48/573371548.db2.gz YQZGWECMNMVUPI-UWVGGRQHSA-N 1 1 168.284 1.066 10 0 ADAEMO CC[C@@]1(C)C[N@H+](C(C)(C)C)CCN1 83059345 573379478 /nfs/dbraw/zinc/37/94/78/573379478.db2.gz DZTIWUHDONJZEX-NSHDSACASA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@@]1(C)CN(C(C)(C)C)CC[NH2+]1 83059345 573379484 /nfs/dbraw/zinc/37/94/84/573379484.db2.gz DZTIWUHDONJZEX-NSHDSACASA-N 1 1 184.327 1.859 10 0 ADAEMO CO[C@H](c1ncc([C@H](C)[NH3+])[nH]1)C(C)C 308565582 573378805 /nfs/dbraw/zinc/37/88/05/573378805.db2.gz YEBBZCMEGKZPQN-CBAPKCEASA-N 1 1 197.282 1.773 10 0 ADAEMO CN[C@@H]1CC[N@H+](C(C)(C)C)C1(C)C 259430611 573378878 /nfs/dbraw/zinc/37/88/78/573378878.db2.gz NXVFQPLOPZINAX-SECBINFHSA-N 1 1 184.327 1.857 10 0 ADAEMO CN[C@@H]1CC[N@@H+](C(C)(C)C)C1(C)C 259430611 573378883 /nfs/dbraw/zinc/37/88/83/573378883.db2.gz NXVFQPLOPZINAX-SECBINFHSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@H](C[NH2+]CCNCC1CC1)C1CC1 133153231 573379486 /nfs/dbraw/zinc/37/94/86/573379486.db2.gz WSRAHJGFGQBOJJ-SNVBAGLBSA-N 1 1 196.338 1.622 10 0 ADAEMO C[C@H](CNCC[NH2+]CC1CC1)C1CC1 133153231 573379494 /nfs/dbraw/zinc/37/94/94/573379494.db2.gz WSRAHJGFGQBOJJ-SNVBAGLBSA-N 1 1 196.338 1.622 10 0 ADAEMO CCC1(CC)C[N@@H+](C2CC2)CCN1 83059782 573378999 /nfs/dbraw/zinc/37/89/99/573378999.db2.gz KKIGCFCQOVFDTG-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CCC1(CC)C[N@H+](C2CC2)CCN1 83059782 573379002 /nfs/dbraw/zinc/37/90/02/573379002.db2.gz KKIGCFCQOVFDTG-UHFFFAOYSA-N 1 1 182.311 1.613 10 0 ADAEMO CC[C@H](C)[N@H+]1CCN[C@H](C(C)C)C1 83059608 573379048 /nfs/dbraw/zinc/37/90/48/573379048.db2.gz AKHVXYLCIQHHIB-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@H](C)N1CC[NH2+][C@H](C(C)C)C1 83059608 573379052 /nfs/dbraw/zinc/37/90/52/573379052.db2.gz AKHVXYLCIQHHIB-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO COc1cc[nH+]cc1CC(C)(C)O 259093305 573379061 /nfs/dbraw/zinc/37/90/61/573379061.db2.gz DJGFNJDFOQAFGN-UHFFFAOYSA-N 1 1 181.235 1.404 10 0 ADAEMO CC[C@@H]1C[N@H+](C(C)(C)C)CCN1 83059356 573379112 /nfs/dbraw/zinc/37/91/12/573379112.db2.gz DHAZTJVKQYGWIP-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@H]1CN(C(C)(C)C)CC[NH2+]1 83059356 573379115 /nfs/dbraw/zinc/37/91/15/573379115.db2.gz DHAZTJVKQYGWIP-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@@]1(C)C[N@@H+](CC2CCC2)CCN1 83060274 573379137 /nfs/dbraw/zinc/37/91/37/573379137.db2.gz PELIPRQVQTXNRD-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@]1(C)CN(CC2CCC2)CC[NH2+]1 83060274 573379140 /nfs/dbraw/zinc/37/91/40/573379140.db2.gz PELIPRQVQTXNRD-LBPRGKRZSA-N 1 1 196.338 1.860 10 0 ADAEMO CC[C@@H](CN)[N@@H+](C)CCCC(F)F 688718733 573379145 /nfs/dbraw/zinc/37/91/45/573379145.db2.gz KYTAWQIVMOYZGK-QMMMGPOBSA-N 1 1 194.269 1.701 10 0 ADAEMO CC[C@@H](C[NH3+])N(C)CCCC(F)F 688718733 573379150 /nfs/dbraw/zinc/37/91/50/573379150.db2.gz KYTAWQIVMOYZGK-QMMMGPOBSA-N 1 1 194.269 1.701 10 0 ADAEMO CC[C@H](CN)[N@@H+](C)CCCC(F)F 688718730 573379244 /nfs/dbraw/zinc/37/92/44/573379244.db2.gz KYTAWQIVMOYZGK-MRVPVSSYSA-N 1 1 194.269 1.701 10 0 ADAEMO CC[C@H](C[NH3+])N(C)CCCC(F)F 688718730 573379249 /nfs/dbraw/zinc/37/92/49/573379249.db2.gz KYTAWQIVMOYZGK-MRVPVSSYSA-N 1 1 194.269 1.701 10 0 ADAEMO CC1CCC([N@H+]2CCN[C@H](C)C2)CC1 83060111 573379289 /nfs/dbraw/zinc/37/92/89/573379289.db2.gz SADNVRRAEYOVIC-MOENNCHZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC1CCC(N2CC[NH2+][C@H](C)C2)CC1 83060111 573379292 /nfs/dbraw/zinc/37/92/92/573379292.db2.gz SADNVRRAEYOVIC-MOENNCHZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@](C)(N)C[NH2+]C[C@@H](C)C1CC1 133167316 573379326 /nfs/dbraw/zinc/37/93/26/573379326.db2.gz UREJYYGRCFOIRN-KOLCDFICSA-N 1 1 184.327 1.750 10 0 ADAEMO CC(C)[C@@H]1C[N@H+]([C@@H](C)C2CC2)CCN1 83060545 573379356 /nfs/dbraw/zinc/37/93/56/573379356.db2.gz UGNOVJSQSOMZHL-JQWIXIFHSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@@H]1CN([C@@H](C)C2CC2)CC[NH2+]1 83060545 573379360 /nfs/dbraw/zinc/37/93/60/573379360.db2.gz UGNOVJSQSOMZHL-JQWIXIFHSA-N 1 1 196.338 1.715 10 0 ADAEMO O=C1CCC[C@H]1CC[NH+]1CCOCC1 86354055 573379506 /nfs/dbraw/zinc/37/95/06/573379506.db2.gz AKILCCUIRIWDCL-JTQLQIEISA-N 1 1 197.278 1.078 10 0 ADAEMO CC[C@@H]1C[N@H+]([C@@H](C)C(C)C)CCN1 83060237 573379545 /nfs/dbraw/zinc/37/95/45/573379545.db2.gz XZBCGUJEGGJFEI-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC[C@@H]1CN([C@@H](C)C(C)C)CC[NH2+]1 83060237 573379550 /nfs/dbraw/zinc/37/95/50/573379550.db2.gz XZBCGUJEGGJFEI-WDEREUQCSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[C@H](C)[N@H+]1CCN[C@@H](C)C1 83060396 573379618 /nfs/dbraw/zinc/37/96/18/573379618.db2.gz BTJZBFVUOFHOEM-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO CC(C)C[C@H](C)N1CC[NH2+][C@@H](C)C1 83060396 573379624 /nfs/dbraw/zinc/37/96/24/573379624.db2.gz BTJZBFVUOFHOEM-QWRGUYRKSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@@H]1CCC[C@H]([N@H+]2CCN[C@H](C)C2)C1 83060322 573379663 /nfs/dbraw/zinc/37/96/63/573379663.db2.gz HITIHVHGJSEZTQ-UTUOFQBUSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@H+]1CC[C@@H]([C@]2(C)CCCC[NH2+]2)C1 258333785 573379680 /nfs/dbraw/zinc/37/96/80/573379680.db2.gz XFIKQXWGORPWQU-NEPJUHHUSA-N 1 1 196.338 1.860 10 0 ADAEMO CC(C)[C@H]1C[N@H+]([C@@H](C)C2CC2)CCN1 83060546 573379698 /nfs/dbraw/zinc/37/96/98/573379698.db2.gz UGNOVJSQSOMZHL-CMPLNLGQSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)[C@H]1CN([C@@H](C)C2CC2)CC[NH2+]1 83060546 573379708 /nfs/dbraw/zinc/37/97/08/573379708.db2.gz UGNOVJSQSOMZHL-CMPLNLGQSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@H]1CCC[C@H]([N@H+]2CCN[C@H](C)C2)C1 83060324 573379792 /nfs/dbraw/zinc/37/97/92/573379792.db2.gz HITIHVHGJSEZTQ-TUAOUCFPSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@](C)(N)C[NH2+]C[C@H](C)C1CC1 133167709 573379879 /nfs/dbraw/zinc/37/98/79/573379879.db2.gz UREJYYGRCFOIRN-ONGXEEELSA-N 1 1 184.327 1.750 10 0 ADAEMO CC[C@@H](CN1C[C@H]2CCC[C@H]2C1)[NH2+]C 126153023 573379938 /nfs/dbraw/zinc/37/99/38/573379938.db2.gz QGISOIVOPJMMMV-TUAOUCFPSA-N 1 1 196.338 1.716 10 0 ADAEMO Cc1n[nH]c2c(C)c(C[NH3+])ccc12 259431474 573379963 /nfs/dbraw/zinc/37/99/63/573379963.db2.gz NYPSTYKCWSZWPV-UHFFFAOYSA-N 1 1 175.235 1.638 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCN[C@@](C)(C2CC2)C1 83059630 573379989 /nfs/dbraw/zinc/37/99/89/573379989.db2.gz RHGNAWXUGIVKCS-ZYHUDNBSSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H](C)N1CC[NH2+][C@@](C)(C2CC2)C1 83059630 573379995 /nfs/dbraw/zinc/37/99/95/573379995.db2.gz RHGNAWXUGIVKCS-ZYHUDNBSSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[N@H+]1CCc2cc(N)cnc2CC1 117970577 573380107 /nfs/dbraw/zinc/38/01/07/573380107.db2.gz DUUQIPHRUDSMSR-UHFFFAOYSA-N 1 1 191.278 1.084 10 0 ADAEMO C[C@@H]1C[N@H+]([C@@H]2CCCC[C@H]2C)CCN1 83060060 573380162 /nfs/dbraw/zinc/38/01/62/573380162.db2.gz VGCJATOHIWLNMJ-IJLUTSLNSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@](C[NH3+])(C1CC1)N(C)C 83057100 573380214 /nfs/dbraw/zinc/38/02/14/573380214.db2.gz QUMAFLMFHUNGAG-VIFPVBQESA-N 1 1 156.273 1.066 10 0 ADAEMO CCC(C)(C)[N@H+]1CCN[C@H](C2CC2)C1 83059891 573384457 /nfs/dbraw/zinc/38/44/57/573384457.db2.gz YKLALJPZSBWCMQ-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO C[NH+](C)CCN[C@H]1Cc2ccccc21 308567987 573384471 /nfs/dbraw/zinc/38/44/71/573384471.db2.gz BEWLSTOTHUXNQS-LBPRGKRZSA-N 1 1 190.290 1.435 10 0 ADAEMO C[C@@H](CO)[N@@H+](C)C[C@H](C)C(F)(F)F 308372853 573384492 /nfs/dbraw/zinc/38/44/92/573384492.db2.gz LSCQJLNUAGMBBO-BQBZGAKWSA-N 1 1 199.216 1.497 10 0 ADAEMO CCC(C)(C)[N@H+]1CCN[C@H](C)C1 83059860 573384532 /nfs/dbraw/zinc/38/45/32/573384532.db2.gz QJDKDUUNNAEWPL-SECBINFHSA-N 1 1 170.300 1.469 10 0 ADAEMO CC(C)[C@@H]1C[N@H+](C2CCCC2)CCN1 83059789 573384547 /nfs/dbraw/zinc/38/45/47/573384547.db2.gz SCWXNVMZPHTQTH-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@@H]1CN(C2CCCC2)CC[NH2+]1 83059789 573384552 /nfs/dbraw/zinc/38/45/52/573384552.db2.gz SCWXNVMZPHTQTH-LBPRGKRZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@]1(C)C[N@@H+](C2CC2)CCN1 83059761 573384582 /nfs/dbraw/zinc/38/45/82/573384582.db2.gz WILOZGVHLMMECW-SNVBAGLBSA-N 1 1 168.284 1.223 10 0 ADAEMO CC[C@]1(C)C[N@H+](C2CC2)CCN1 83059761 573384589 /nfs/dbraw/zinc/38/45/89/573384589.db2.gz WILOZGVHLMMECW-SNVBAGLBSA-N 1 1 168.284 1.223 10 0 ADAEMO COc1ccc(C)n2c[nH+]cc12 238376049 573384590 /nfs/dbraw/zinc/38/45/90/573384590.db2.gz NHPVSFXNOVHWQT-UHFFFAOYSA-N 1 1 162.192 1.651 10 0 ADAEMO CCC[C@@H](N)C[NH2+]C[C@@H](C)C1CC1 133182856 573384628 /nfs/dbraw/zinc/38/46/28/573384628.db2.gz MMLRNBPEOCTCFJ-MWLCHTKSSA-N 1 1 184.327 1.750 10 0 ADAEMO CC(C)[C@]1(C)[C@H](N)CC[N@@H+]1C 107158781 573383835 /nfs/dbraw/zinc/38/38/35/573383835.db2.gz MDARQSJDMBFJHI-RKDXNWHRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC(C)[C@]1(C)[C@H](N)CC[N@H+]1C 107158781 573383842 /nfs/dbraw/zinc/38/38/42/573383842.db2.gz MDARQSJDMBFJHI-RKDXNWHRSA-N 1 1 156.273 1.064 10 0 ADAEMO CC[C@H]1C[N@H+](C(C)(C)C)CCN1 83059358 573383911 /nfs/dbraw/zinc/38/39/11/573383911.db2.gz DHAZTJVKQYGWIP-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO CC[C@H]1CN(C(C)(C)C)CC[NH2+]1 83059358 573383915 /nfs/dbraw/zinc/38/39/15/573383915.db2.gz DHAZTJVKQYGWIP-VIFPVBQESA-N 1 1 170.300 1.469 10 0 ADAEMO COC(=O)/C=C\C[C@@H]1CCCC[N@H+]1C 258333706 573383994 /nfs/dbraw/zinc/38/39/94/573383994.db2.gz XDTPTENGWFAZGY-NVDWLVSRSA-N 1 1 197.278 1.590 10 0 ADAEMO CC[C@H]1C[N@H+](C(C)(C)CC)CCN1 83059875 573384049 /nfs/dbraw/zinc/38/40/49/573384049.db2.gz WIHMWGBWAMJGFE-JTQLQIEISA-N 1 1 184.327 1.859 10 0 ADAEMO CC(C)C[C@@H](N)C[NH2+]C[C@H](C)C1CC1 133198223 573384072 /nfs/dbraw/zinc/38/40/72/573384072.db2.gz MCQWOEBVJMNJGR-CMPLNLGQSA-N 1 1 198.354 1.996 10 0 ADAEMO COC(=O)[C@](C)([NH3+])C1=CCCCC1 238375870 573384091 /nfs/dbraw/zinc/38/40/91/573384091.db2.gz MEFFMRRDSHKKCA-SNVBAGLBSA-N 1 1 183.251 1.377 10 0 ADAEMO C[C@H]1CCCC[C@@H]1[N@@H+]1CCN[C@H](C)C1 83060058 573384181 /nfs/dbraw/zinc/38/41/81/573384181.db2.gz VGCJATOHIWLNMJ-TUAOUCFPSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H](N)C[NH2+]C[C@H](C)C1CC1 133219974 573384269 /nfs/dbraw/zinc/38/42/69/573384269.db2.gz YEJXUGYKZSLUQB-WCBMZHEXSA-N 1 1 170.300 1.359 10 0 ADAEMO CC[C@H](CN1C[C@H]2CCC[C@H]2C1)[NH2+]C 126153251 573384363 /nfs/dbraw/zinc/38/43/63/573384363.db2.gz QGISOIVOPJMMMV-GRYCIOLGSA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@H](C[NH2+]C[C@](C)(N)C1CC1)C1CC1 133183677 573384379 /nfs/dbraw/zinc/38/43/79/573384379.db2.gz HRBBCECUVLXKQQ-SKDRFNHKSA-N 1 1 196.338 1.750 10 0 ADAEMO C[C@@H](C1CC1)[N@H+]1CCNC[C@H]1C 83086581 573386431 /nfs/dbraw/zinc/38/64/31/573386431.db2.gz XBMPKFYLNXKNDU-BDAKNGLRSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@@H](C1CC1)N1CC[NH2+]C[C@H]1C 83086581 573386439 /nfs/dbraw/zinc/38/64/39/573386439.db2.gz XBMPKFYLNXKNDU-BDAKNGLRSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]([NH3+])c1ccn2cncc2c1 107159603 573386450 /nfs/dbraw/zinc/38/64/50/573386450.db2.gz DNLDJFKGWFZIST-ZETCQYMHSA-N 1 1 161.208 1.354 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@H]1CCCC[C@H]1C 83086514 573386454 /nfs/dbraw/zinc/38/64/54/573386454.db2.gz IEUGRACNMMHLLD-WOPDTQHZSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H]1CN[C@H](C)C[N@H+]1CC1CCC1 83085316 573386466 /nfs/dbraw/zinc/38/64/66/573386466.db2.gz RQMZMWZKRPIUCL-PWSUYJOCSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@@H]1CNCC[N@H+]1[C@@H](C)C1CC1 83086583 573386493 /nfs/dbraw/zinc/38/64/93/573386493.db2.gz HFVDJKCYHNKUDU-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO [NH3+][C@@H](CC1CC1)c1nnc(C2CC2)o1 238653999 573386514 /nfs/dbraw/zinc/38/65/14/573386514.db2.gz AXNUHYWEBBXVLB-QMMMGPOBSA-N 1 1 193.250 1.747 10 0 ADAEMO CC[C@@H](C[NH2+]C)[C@H](NC)c1ccc[nH]1 259432665 573385788 /nfs/dbraw/zinc/38/57/88/573385788.db2.gz ZDOHWFIMIKCGFF-ONGXEEELSA-N 1 1 195.310 1.521 10 0 ADAEMO CCC[C@H](N)C[NH2+][C@@H](C)CC(F)F 308372308 573385812 /nfs/dbraw/zinc/38/58/12/573385812.db2.gz LLBPOFOUUMISMH-YUMQZZPRSA-N 1 1 194.269 1.747 10 0 ADAEMO CC[C@H]1CN[C@@H](C)C[N@H+]1C1CC1 83085156 573385821 /nfs/dbraw/zinc/38/58/21/573385821.db2.gz CPZKKFAMCNDXIG-IUCAKERBSA-N 1 1 168.284 1.221 10 0 ADAEMO CC[C@H]1C[NH2+][C@@H](C)CN1C1CC1 83085156 573385827 /nfs/dbraw/zinc/38/58/27/573385827.db2.gz CPZKKFAMCNDXIG-IUCAKERBSA-N 1 1 168.284 1.221 10 0 ADAEMO CCC[C@H]([NH3+])CN[C@@H](C)CC(F)F 308372308 573385835 /nfs/dbraw/zinc/38/58/35/573385835.db2.gz LLBPOFOUUMISMH-YUMQZZPRSA-N 1 1 194.269 1.747 10 0 ADAEMO CC(C)C[C@H]1C[N@@H+](C2CCC2)CCN1 83084147 573386548 /nfs/dbraw/zinc/38/65/48/573386548.db2.gz HMDADPAFPPPAIY-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)C[C@H]1C[N@H+](C2CCC2)CCN1 83084147 573386551 /nfs/dbraw/zinc/38/65/51/573386551.db2.gz HMDADPAFPPPAIY-NSHDSACASA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@@H](C)C[N@H+]1CCNC(C)(C)C1 83084827 573385864 /nfs/dbraw/zinc/38/58/64/573385864.db2.gz WEGRSQMZACEDSH-NSHDSACASA-N 1 1 198.354 1.962 10 0 ADAEMO CC(C)[C@@H]1CN[C@@H](C)C[N@H+]1C1CC1 83085170 573385879 /nfs/dbraw/zinc/38/58/79/573385879.db2.gz IVKFMEUEOULYNN-ONGXEEELSA-N 1 1 182.311 1.467 10 0 ADAEMO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1C1CC1 83085170 573385882 /nfs/dbraw/zinc/38/58/82/573385882.db2.gz IVKFMEUEOULYNN-ONGXEEELSA-N 1 1 182.311 1.467 10 0 ADAEMO CC[C@@H]1C[N@@H+](CC(C)(C)C)CCN1 83061830 573385919 /nfs/dbraw/zinc/38/59/19/573385919.db2.gz VVNVCOYHDVHWFI-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@@H]1CN(CC(C)(C)C)CC[NH2+]1 83061830 573385926 /nfs/dbraw/zinc/38/59/26/573385926.db2.gz VVNVCOYHDVHWFI-SNVBAGLBSA-N 1 1 184.327 1.716 10 0 ADAEMO Cc1ncn2c(C[NH3+])cccc12 107159506 573385928 /nfs/dbraw/zinc/38/59/28/573385928.db2.gz ZVRAECHMUFZXLH-UHFFFAOYSA-N 1 1 161.208 1.101 10 0 ADAEMO CNC(C)(C)C[NH2+]C[C@H](C)C1CC1 133202627 573385959 /nfs/dbraw/zinc/38/59/59/573385959.db2.gz WLWZAPHWYNSBIE-VIFPVBQESA-N 1 1 184.327 1.620 10 0 ADAEMO C[C@H]1C[C@@H]1[N@@H+]1CCNC2(CCCC2)C1 83084155 573385991 /nfs/dbraw/zinc/38/59/91/573385991.db2.gz ARLKNPXNKXNLJF-QWRGUYRKSA-N 1 1 194.322 1.613 10 0 ADAEMO C[C@H]1C[C@@H]1[N@H+]1CCNC2(CCCC2)C1 83084155 573385999 /nfs/dbraw/zinc/38/59/99/573385999.db2.gz ARLKNPXNKXNLJF-QWRGUYRKSA-N 1 1 194.322 1.613 10 0 ADAEMO C[C@H]1CNCC[N@@H+]1[C@H]1CC[C@@H](C)[C@H]1C 83087781 573386009 /nfs/dbraw/zinc/38/60/09/573386009.db2.gz KRRPNYILXKNZQJ-KXNHARMFSA-N 1 1 196.338 1.715 10 0 ADAEMO C[C@H]1C[C@@H]1[N@H+]1CCNC(C)(C)C1 83084185 573386042 /nfs/dbraw/zinc/38/60/42/573386042.db2.gz XCWRRNUWLDUOEN-IUCAKERBSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1C[C@@H]1N1CC[NH2+]C(C)(C)C1 83084185 573386047 /nfs/dbraw/zinc/38/60/47/573386047.db2.gz XCWRRNUWLDUOEN-IUCAKERBSA-N 1 1 168.284 1.079 10 0 ADAEMO CC(C)C[C@@H](N)C[NH2+]C[C@@H](C)C1CC1 133197866 573386051 /nfs/dbraw/zinc/38/60/51/573386051.db2.gz MCQWOEBVJMNJGR-ZYHUDNBSSA-N 1 1 198.354 1.996 10 0 ADAEMO CC(C)C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2C)CCN1 83084203 573386077 /nfs/dbraw/zinc/38/60/77/573386077.db2.gz PRWXPUSTTCFCHS-QJPTWQEYSA-N 1 1 196.338 1.715 10 0 ADAEMO CC(C)C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2C)CCN1 83084203 573386084 /nfs/dbraw/zinc/38/60/84/573386084.db2.gz PRWXPUSTTCFCHS-QJPTWQEYSA-N 1 1 196.338 1.715 10 0 ADAEMO CC[C@@H](C)[C@H](C)[N@H+]1CCNC[C@@H]1C 83086796 573386095 /nfs/dbraw/zinc/38/60/95/573386095.db2.gz VWBHDLQZVYBZIY-VWYCJHECSA-N 1 1 184.327 1.715 10 0 ADAEMO C[C@H]1CCC[C@H]1[N@H+]1CCNC(C)(C)C1 83084353 573386107 /nfs/dbraw/zinc/38/61/07/573386107.db2.gz PRABUAHXFMMJRS-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO CC[C@H](C)[C@H]1C[N@H+](C2CC2)[C@H](C)CN1 83085146 573386119 /nfs/dbraw/zinc/38/61/19/573386119.db2.gz NIHWOCJPBQSDPJ-HOSYDEDBSA-N 1 1 196.338 1.857 10 0 ADAEMO CC[C@H](C)[C@H]1C[N@@H+](C2CC2)[C@H](C)CN1 83085146 573386124 /nfs/dbraw/zinc/38/61/24/573386124.db2.gz NIHWOCJPBQSDPJ-HOSYDEDBSA-N 1 1 196.338 1.857 10 0 ADAEMO C[C@H](C[NH2+]CC1(N)CCCC1)C1CC1 133212902 573386126 /nfs/dbraw/zinc/38/61/26/573386126.db2.gz VYNQFJJQLNBGFO-SNVBAGLBSA-N 1 1 196.338 1.894 10 0 ADAEMO CC(C)[C@@H]1C[N@@H+]([C@H]2C[C@H]2C)CCN1 83084150 573386172 /nfs/dbraw/zinc/38/61/72/573386172.db2.gz DVEADZJVNUWYQJ-VWYCJHECSA-N 1 1 182.311 1.325 10 0 ADAEMO CC(C)[C@@H]1C[N@H+]([C@H]2C[C@H]2C)CCN1 83084150 573386177 /nfs/dbraw/zinc/38/61/77/573386177.db2.gz DVEADZJVNUWYQJ-VWYCJHECSA-N 1 1 182.311 1.325 10 0 ADAEMO C[C@@H]1CCC[C@@H]1[N@H+]1CCNC(C)(C)C1 83084350 573386185 /nfs/dbraw/zinc/38/61/85/573386185.db2.gz PRABUAHXFMMJRS-MNOVXSKESA-N 1 1 196.338 1.859 10 0 ADAEMO CC(C)[C@]1(C)C(=O)CC[N@H+]1C 107158480 573386192 /nfs/dbraw/zinc/38/61/92/573386192.db2.gz UBMJWKDSLPYNFK-SECBINFHSA-N 1 1 155.241 1.306 10 0 ADAEMO CC(C)[C@]1(C)C(=O)CC[N@@H+]1C 107158480 573386193 /nfs/dbraw/zinc/38/61/93/573386193.db2.gz UBMJWKDSLPYNFK-SECBINFHSA-N 1 1 155.241 1.306 10 0 ADAEMO CC(C)[C@H](C)C[N@H+]1C[C@@H](C)NC[C@H]1C 83086367 573386196 /nfs/dbraw/zinc/38/61/96/573386196.db2.gz FJIPZMXUECYBHD-IJLUTSLNSA-N 1 1 198.354 1.961 10 0 ADAEMO CC[C@H]1C[N@@H+](CC(C)(C)C)CCN1 83061833 573386232 /nfs/dbraw/zinc/38/62/32/573386232.db2.gz VVNVCOYHDVHWFI-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO CC[C@H]1CN(CC(C)(C)C)CC[NH2+]1 83061833 573386236 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1.840 10 0 ADAEMO CC[C@H]1C[NH2+]CCN1CC(C)(C)C 83086785 573386289 /nfs/dbraw/zinc/38/62/89/573386289.db2.gz ZYNQIPIXCXNUJP-JTQLQIEISA-N 1 1 184.327 1.716 10 0 ADAEMO CC1(C)C[N@H+]([C@@H]2CC2(C)C)CCN1 83063489 573386299 /nfs/dbraw/zinc/38/62/99/573386299.db2.gz XSEIWIDMNDDXFR-SECBINFHSA-N 1 1 182.311 1.469 10 0 ADAEMO CC1(C)C[N@@H+]([C@@H]2CC2(C)C)CCN1 83063489 573386301 /nfs/dbraw/zinc/38/63/01/573386301.db2.gz XSEIWIDMNDDXFR-SECBINFHSA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@H]1C[N@@H+]([C@@H](C)C2CC2)CCN1 83060581 573386312 /nfs/dbraw/zinc/38/63/12/573386312.db2.gz DFGVGKROYHSLKS-IUCAKERBSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1CN([C@@H](C)C2CC2)CC[NH2+]1 83060581 573386318 /nfs/dbraw/zinc/38/63/18/573386318.db2.gz DFGVGKROYHSLKS-IUCAKERBSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1C[N@@H+]([C@@H]2CC2(C)C)CCN1 83063462 573386335 /nfs/dbraw/zinc/38/63/35/573386335.db2.gz XUDVVMATVWOZPK-DTWKUNHWSA-N 1 1 168.284 1.079 10 0 ADAEMO C[C@H]1C[N@H+]([C@@H]2CC2(C)C)CCN1 83063462 573386340 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ADAEMO CC[N@H+]1CC[C@H](C[C@H]2[NH2+][C@H](C)CO2)C1 258668591 573474302 /nfs/dbraw/zinc/47/43/02/573474302.db2.gz STZVQTDZNDXWTR-MXWKQRLJSA-N 1 1 198.310 1.053 10 0 ADAEMO CC[N@H+]1CC[C@H](C[C@@H]2[NH2+][C@@H](C)CO2)C1 258668583 573474346 /nfs/dbraw/zinc/47/43/46/573474346.db2.gz STZVQTDZNDXWTR-HBNTYKKESA-N 1 1 198.310 1.053 10 0 ADAEMO CC(=O)c1cnoc1[C@@H]1CC[N@H+](C)C1 258398869 573474595 /nfs/dbraw/zinc/47/45/95/573474595.db2.gz BXFLYWPUJDOMPP-MRVPVSSYSA-N 1 1 194.234 1.296 10 0 ADAEMO CC1(C)C[C@@H]1c1nnc(C[NH3+])o1 83339856 573474797 /nfs/dbraw/zinc/47/47/97/573474797.db2.gz XZFKVJPYBIHCAT-RXMQYKEDSA-N 1 1 167.212 1.042 10 0 ADAEMO CC[C@H]1c2nc[nH]c(=O)c2C[N@@H+]1C 107226883 573474990 /nfs/dbraw/zinc/47/49/90/573474990.db2.gz PYOBAACSEUBZGK-ZETCQYMHSA-N 1 1 179.223 1.079 10 0 ADAEMO Clc1ccc([C@@H]2COCC[NH2+]2)cn1 75087538 573475221 /nfs/dbraw/zinc/47/52/21/573475221.db2.gz SGEIWPMYUJVWOF-QMMMGPOBSA-N 1 1 198.653 1.396 10 0 ADAEMO C[NH+](C)C[C@H](F)c1ccccc1O 107279514 573475297 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/nfs/dbraw/zinc/47/97/72/573479772.db2.gz HGZSUYVQXLABPK-IJLUTSLNSA-N 1 1 196.338 1.988 10 0 ADAEMO CCOCc1c(C)cc[nH+]c1N 86528149 573479782 /nfs/dbraw/zinc/47/97/82/573479782.db2.gz VEMZERDPNOVCFU-UHFFFAOYSA-N 1 1 166.224 1.509 10 0 ADAEMO C[C@H]1CCC[C@@H]1[N@@H+](C)CCN 83394210 573479794 /nfs/dbraw/zinc/47/97/94/573479794.db2.gz UQOWXVFYTGSJSL-IUCAKERBSA-N 1 1 156.273 1.066 10 0 ADAEMO C[C@H]1CCC[C@@H]1N(C)CC[NH3+] 83394210 573479800 /nfs/dbraw/zinc/47/98/00/573479800.db2.gz UQOWXVFYTGSJSL-IUCAKERBSA-N 1 1 156.273 1.066 10 0 ADAEMO CN[C@H](c1cccnc1)C1(C[NH3+])CC1 259464801 573479841 /nfs/dbraw/zinc/47/98/41/573479841.db2.gz PTOGFJDZOIKVNM-SNVBAGLBSA-N 1 1 191.278 1.081 10 0 ADAEMO C[N@@H+](Cc1ccc[nH]1)CC(C)(C)CO 258677570 573485324 /nfs/dbraw/zinc/48/53/24/573485324.db2.gz AOTQOUGPSFLYMG-UHFFFAOYSA-N 1 1 196.294 1.465 10 0 ADAEMO Cc1ccc([C@]2(C)[NH2+][C@H](C)CO2)o1 258678208 573485367 /nfs/dbraw/zinc/48/53/67/573485367.db2.gz TUDWDNKUECYERL-GMSGAONNSA-N 1 1 181.235 1.769 10 0 ADAEMO CC[C@@H](C)[N@H+]1CCCCN[C@H](C)C1 259470503 573485378 /nfs/dbraw/zinc/48/53/78/573485378.db2.gz QSTKAYCJYPSLEC-GHMZBOCLSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[C@H](C)[NH2+][C@]1(C(=O)OC)CC[C@H]1C 308599697 573485499 /nfs/dbraw/zinc/48/54/99/573485499.db2.gz NXARZVGXWUHDOZ-WCABBAIRSA-N 1 1 199.294 1.716 10 0 ADAEMO C[C@H](c1coc(CN)c1)[NH+]1CCCC1 257819624 573485527 /nfs/dbraw/zinc/48/55/27/573485527.db2.gz FNFPYOKBAHPBRP-SECBINFHSA-N 1 1 194.278 1.895 10 0 ADAEMO [NH3+]Cc1[nH]ncc1-c1ccc(O)cc1 257819194 573485550 /nfs/dbraw/zinc/48/55/50/573485550.db2.gz DBTQMLVKBBEWAV-UHFFFAOYSA-N 1 1 189.218 1.241 10 0 ADAEMO CC(C)c1cn2c([nH+]1)C[C@H](CO)CC2 258678358 573485718 /nfs/dbraw/zinc/48/57/18/573485718.db2.gz XRADPZMRCAARFF-SECBINFHSA-N 1 1 194.278 1.561 10 0 ADAEMO Cc1[nH+]ccn1CC[C@H]1CCC[C@@H]1O 86547606 573485776 /nfs/dbraw/zinc/48/57/76/573485776.db2.gz ZQUXPJYYGPTQSS-MNOVXSKESA-N 1 1 194.278 1.743 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@H]1CCO 259471639 573485811 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1 1 192.306 1.558 10 0 ADAEMO C[N@H+]1CCC[C@H](c2cncc(N)c2)C1 259613457 573509378 /nfs/dbraw/zinc/50/93/78/573509378.db2.gz DTDMBHAMRZMDEC-VIFPVBQESA-N 1 1 191.278 1.473 10 0 ADAEMO CO[C@H](C)C[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 224238884 573519104 /nfs/dbraw/zinc/51/91/04/573519104.db2.gz TVCSEUNPIAIVJA-UTLUCORTSA-N 1 1 199.294 1.321 10 0 ADAEMO CCc1[nH+]ccn1[C@@H]1CCC(=O)C1 86618873 573519183 /nfs/dbraw/zinc/51/91/83/573519183.db2.gz URKDRSXUNAZKFD-MRVPVSSYSA-N 1 1 178.235 1.740 10 0 ADAEMO C[N@H+]1CCCC[C@@]1(CN)C(C)(C)C 258735758 573519192 /nfs/dbraw/zinc/51/91/92/573519192.db2.gz OXSBQXWVBGPXOA-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CN1CCCC[C@@]1(C[NH3+])C(C)(C)C 258735758 573519196 /nfs/dbraw/zinc/51/91/96/573519196.db2.gz OXSBQXWVBGPXOA-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCOCC[N@@H+](CC)[C@@H]1CCC(=O)C1 86618532 573519221 /nfs/dbraw/zinc/51/92/21/573519221.db2.gz YVBHXKDBIWPBCA-SNVBAGLBSA-N 1 1 199.294 1.466 10 0 ADAEMO CCCC[N@@H+](C)[C@@H]1CCC(=O)C1 86617777 573519317 /nfs/dbraw/zinc/51/93/17/573519317.db2.gz HOLGTEMPVRKTIY-SECBINFHSA-N 1 1 169.268 1.840 10 0 ADAEMO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N)c1 258732581 573519328 /nfs/dbraw/zinc/51/93/28/573519328.db2.gz KCSAQXBLBFLDDP-LLVKDONJSA-N 1 1 192.306 1.740 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@@H]1CCC(=O)C1 86618490 573519353 /nfs/dbraw/zinc/51/93/53/573519353.db2.gz GUIWEUAFXDYSSE-SECBINFHSA-N 1 1 181.279 1.982 10 0 ADAEMO C[C@H]1CCC[N@H+]([C@@H]2CCC(=O)C2)C1 86617814 573519393 /nfs/dbraw/zinc/51/93/93/573519393.db2.gz IPLUZIXWSJFWIF-VHSXEESVSA-N 1 1 181.279 1.840 10 0 ADAEMO Cc1ccccc1CC[NH2+]C[C@H](C)N 258736574 573519401 /nfs/dbraw/zinc/51/94/01/573519401.db2.gz KOTIFXWVBVNEPP-NSHDSACASA-N 1 1 192.306 1.474 10 0 ADAEMO CCc1oc(N)nc1[C@H]1CCC[N@H+]1C 258046702 573519403 /nfs/dbraw/zinc/51/94/03/573519403.db2.gz JTIUSLRDSLURLU-SSDOTTSWSA-N 1 1 195.266 1.586 10 0 ADAEMO Cc1ccc[nH+]c1NCC(C)(C)O 83466541 573519455 /nfs/dbraw/zinc/51/94/55/573519455.db2.gz WMNSILIMCPSGBI-UHFFFAOYSA-N 1 1 180.251 1.573 10 0 ADAEMO CC1(C)CN[C@](C)([C@H]2CCC[NH2+]C2)O1 258731191 573519523 /nfs/dbraw/zinc/51/95/23/573519523.db2.gz VSOKUXASVGYZLF-ONGXEEELSA-N 1 1 198.310 1.101 10 0 ADAEMO Cc1ccc(NCC(C)(C)O)[nH+]c1 83466557 573519539 /nfs/dbraw/zinc/51/95/39/573519539.db2.gz AFSQDVGIYYPYKP-UHFFFAOYSA-N 1 1 180.251 1.573 10 0 ADAEMO C[NH2+]CC(F)(F)C1CCSCC1 257823107 573519590 /nfs/dbraw/zinc/51/95/90/573519590.db2.gz GLYUIRIOKDLBGD-UHFFFAOYSA-N 1 1 195.278 1.984 10 0 ADAEMO C[C@@H](N)C[N@@H+]1CCC2=C(CCCC2)C1 238423470 573519623 /nfs/dbraw/zinc/51/96/23/573519623.db2.gz PXUAQJGHXRUTPS-SNVBAGLBSA-N 1 1 194.322 1.910 10 0 ADAEMO C[C@H]1CCC[N@H+](CCNC2CC2)[C@@H]1C 50564281 573519626 /nfs/dbraw/zinc/51/96/26/573519626.db2.gz BMPFFKVCIGUEFC-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO C[C@@H](N)C[N@H+]1CCC2=C(CCCC2)C1 238423470 573519629 /nfs/dbraw/zinc/51/96/29/573519629.db2.gz PXUAQJGHXRUTPS-SNVBAGLBSA-N 1 1 194.322 1.910 10 0 ADAEMO C[N@@H+](C1CC1)[C@@H]1CCC(=O)C1 86617838 573519634 /nfs/dbraw/zinc/51/96/34/573519634.db2.gz DEZRJEZFATVAIM-MRVPVSSYSA-N 1 1 153.225 1.202 10 0 ADAEMO C[C@H]1CCC[N@@H+](CCNC2CC2)[C@@H]1C 50564281 573519636 /nfs/dbraw/zinc/51/96/36/573519636.db2.gz BMPFFKVCIGUEFC-WDEREUQCSA-N 1 1 196.338 1.859 10 0 ADAEMO COC(=O)C1([NH2+]CCC2CC2)CCC1 308604016 573519660 /nfs/dbraw/zinc/51/96/60/573519660.db2.gz PCCKDMOMQVLGOL-UHFFFAOYSA-N 1 1 197.278 1.472 10 0 ADAEMO CC(C)[C@@H](CO)[N@@H+](C)Cc1ccc[nH]1 258734913 573519670 /nfs/dbraw/zinc/51/96/70/573519670.db2.gz FGKACCXPIQQDDE-LLVKDONJSA-N 1 1 196.294 1.463 10 0 ADAEMO Cc1ccc(C(N)=[NH2+])c(O)c1C 107328146 573519673 /nfs/dbraw/zinc/51/96/73/573519673.db2.gz NAPYHOZUEFVKRU-UHFFFAOYSA-N 1 1 164.208 1.293 10 0 ADAEMO C[N@H+]([C@H]1CCC(=O)C1)[C@@H]1CCSC1 86618075 573519751 /nfs/dbraw/zinc/51/97/51/573519751.db2.gz SOYINUBVJULWTG-DTWKUNHWSA-N 1 1 199.319 1.545 10 0 ADAEMO C[N@@H+](CC1CCC1)[C@H]1CCC(=O)C1 86618350 573519774 /nfs/dbraw/zinc/51/97/74/573519774.db2.gz GBZWUPQMDJPISF-JTQLQIEISA-N 1 1 181.279 1.840 10 0 ADAEMO CNc1cccn2c[nH+]c(C)c12 107327425 573519778 /nfs/dbraw/zinc/51/97/78/573519778.db2.gz UGTJXJJXVBCOIU-UHFFFAOYSA-N 1 1 161.208 1.684 10 0 ADAEMO C[C@@H]1CSCC[N@H+]1[C@@H]1CCC(=O)C1 86618561 573519819 /nfs/dbraw/zinc/51/98/19/573519819.db2.gz KLLKVNVJLSUUAN-RKDXNWHRSA-N 1 1 199.319 1.545 10 0 ADAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CC[NH2+]1 107331414 573532078 /nfs/dbraw/zinc/53/20/78/573532078.db2.gz UXBNGOSEKZAXIZ-NXEZZACHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CCN1 107331414 573532088 /nfs/dbraw/zinc/53/20/88/573532088.db2.gz UXBNGOSEKZAXIZ-NXEZZACHSA-N 1 1 168.284 1.223 10 0 ADAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CCN1 107331414 573532093 /nfs/dbraw/zinc/53/20/93/573532093.db2.gz UXBNGOSEKZAXIZ-NXEZZACHSA-N 1 1 168.284 1.223 10 0 ADAEMO CC(C)[N@H+]1CC[C@H](C(F)(F)CO)C1 257828904 573532121 /nfs/dbraw/zinc/53/21/21/573532121.db2.gz ILYFVATWZCNIRH-QMMMGPOBSA-N 1 1 193.237 1.344 10 0 ADAEMO C[N@H+]1CCCC[C@H]1CCC1(O)CC1 258051517 573532156 /nfs/dbraw/zinc/53/21/56/573532156.db2.gz OZSWRCSCUHKKSJ-JTQLQIEISA-N 1 1 183.295 1.776 10 0 ADAEMO NCc1nnc([N-]c2ccccc2)o1 236281509 573532190 /nfs/dbraw/zinc/53/21/90/573532190.db2.gz RBRNKICXTQSRPY-UHFFFAOYSA-N 1 1 190.206 1.272 10 0 ADAEMO [NH3+]Cc1nnc(Nc2ccccc2)o1 236281509 573532196 /nfs/dbraw/zinc/53/21/96/573532196.db2.gz RBRNKICXTQSRPY-UHFFFAOYSA-N 1 1 190.206 1.272 10 0 ADAEMO C[N@H+]1Cc2cccc(CCCO)c2C1 257828916 573532265 /nfs/dbraw/zinc/53/22/65/573532265.db2.gz IMJGHYUZTXRXRA-UHFFFAOYSA-N 1 1 191.274 1.557 10 0 ADAEMO CCCC[C@@]1(O)CC[N@@H+](C)C1 83503973 573532287 /nfs/dbraw/zinc/53/22/87/573532287.db2.gz TUKUCRHVUDYOAC-SECBINFHSA-N 1 1 157.257 1.243 10 0 ADAEMO CN[C@H](C1CCCC1)[C@@H]1CCC[NH2+]1 259488135 573532373 /nfs/dbraw/zinc/53/23/73/573532373.db2.gz RDEAUJCVWGKYJZ-WDEREUQCSA-N 1 1 182.311 1.517 10 0 ADAEMO C[N@H+]1CC[C@@H]([NH3+])CC12CCCC2 107331403 573532428 /nfs/dbraw/zinc/53/24/28/573532428.db2.gz AEEBCEPEYSDIFD-SECBINFHSA-N 1 1 168.284 1.352 10 0 ADAEMO [NH3+]CC(=O)c1ccc2ccncc2c1 258059201 573532517 /nfs/dbraw/zinc/53/25/17/573532517.db2.gz LEWOJOZYGCDCMW-UHFFFAOYSA-N 1 1 186.214 1.376 10 0 ADAEMO COC(=[NH2+])CSCC(C)C 83497751 573532543 /nfs/dbraw/zinc/53/25/43/573532543.db2.gz GRCAKVPGDQTXES-UHFFFAOYSA-N 1 1 161.270 1.999 10 0 ADAEMO CC[NH+](CC)[C@@H](C)c1nnc(N)o1 238255874 573532563 /nfs/dbraw/zinc/53/25/63/573532563.db2.gz PXLHXWPWKWSXDS-LURJTMIESA-N 1 1 184.243 1.055 10 0 ADAEMO COC(=[NH2+])CSC(C)C 83489612 573532584 /nfs/dbraw/zinc/53/25/84/573532584.db2.gz PASMCDCVWSYGRO-UHFFFAOYSA-N 1 1 147.243 1.752 10 0 ADAEMO CC(C)(C)[N@H+]1CC[C@H](O)C1(C)C 259495055 573536765 /nfs/dbraw/zinc/53/67/65/573536765.db2.gz SLKPHRGERKWVBO-QMMMGPOBSA-N 1 1 171.284 1.630 10 0 ADAEMO Cc1nc(C2([NH3+])CC2)[nH]c1C(C)C 258761335 573536815 /nfs/dbraw/zinc/53/68/15/573536815.db2.gz SDTZXJUEEBTAJC-UHFFFAOYSA-N 1 1 179.267 1.789 10 0 ADAEMO CC[C@H](C(C)=O)[N@@H+](C)C(C)C 220564616 573536867 /nfs/dbraw/zinc/53/68/67/573536867.db2.gz BGMVUDNUHYOXBJ-SECBINFHSA-N 1 1 157.257 1.694 10 0 ADAEMO C[NH2+][C@@H](C(C)C)C1(CN)CCC1 259494999 573536868 /nfs/dbraw/zinc/53/68/68/573536868.db2.gz RPHVCYLXWRJAIW-VIFPVBQESA-N 1 1 170.300 1.359 10 0 ADAEMO COC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1C(C)C 257829183 573536869 /nfs/dbraw/zinc/53/68/69/573536869.db2.gz GTKCBWUTDSPHDO-ZJUUUORDSA-N 1 1 199.294 1.383 10 0 ADAEMO C[C@@H]1C[C@@H](O)C[C@@H]2CCCC[N@H+]21 238430674 573536871 /nfs/dbraw/zinc/53/68/71/573536871.db2.gz ZOQLPPZVXYRAAA-KXUCPTDWSA-N 1 1 169.268 1.384 10 0 ADAEMO C[C@@H]1CCN[C@@H](c2ccccc2)[NH2+]1 238433883 573536907 /nfs/dbraw/zinc/53/69/07/573536907.db2.gz HHEGNOULRWVFSD-MWLCHTKSSA-N 1 1 176.263 1.657 10 0 ADAEMO OC/C=C/C[NH2+]C/C(Cl)=C/Cl 717467630 573536940 /nfs/dbraw/zinc/53/69/40/573536940.db2.gz QKEKRXRQTJMOIO-HEPFNKNVSA-N 1 1 196.077 1.444 10 0 ADAEMO C[C@@H](O)[C@@H]1CCCC[N@@H+](C)CCC1 238433738 573536971 /nfs/dbraw/zinc/53/69/71/573536971.db2.gz XHWFWVUENAPBOD-GHMZBOCLSA-N 1 1 185.311 1.879 10 0 ADAEMO C[C@H]1CCCC[C@@]12OCC[N@@H+]2CCO 238430837 573537079 /nfs/dbraw/zinc/53/70/79/573537079.db2.gz RPXJJFCISBDUEQ-WDEREUQCSA-N 1 1 199.294 1.217 10 0 ADAEMO C[C@H]1CCCC[C@@]12OCC[N@H+]2CCO 238430837 573537082 /nfs/dbraw/zinc/53/70/82/573537082.db2.gz RPXJJFCISBDUEQ-WDEREUQCSA-N 1 1 199.294 1.217 10 0 ADAEMO C[N@H+]1CC[C@H](c2ccc(NN)cc2)C1 259494693 573537149 /nfs/dbraw/zinc/53/71/49/573537149.db2.gz NLPDCMYXMOCPML-JTQLQIEISA-N 1 1 191.278 1.391 10 0 ADAEMO CCC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 86654878 573537151 /nfs/dbraw/zinc/53/71/51/573537151.db2.gz GLTAVCAOXNBAMK-JTQLQIEISA-N 1 1 185.267 1.075 10 0 ADAEMO CCC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 86654878 573537160 /nfs/dbraw/zinc/53/71/60/573537160.db2.gz GLTAVCAOXNBAMK-JTQLQIEISA-N 1 1 185.267 1.075 10 0 ADAEMO OC/C=C\C[NH2+]C/C(Cl)=C/Cl 717467634 573537273 /nfs/dbraw/zinc/53/72/73/573537273.db2.gz QKEKRXRQTJMOIO-PQZOIKATSA-N 1 1 196.077 1.444 10 0 ADAEMO C[C@@]12CCCC[C@@]1(C)CN(CC[NH3+])C2 238430785 573537296 /nfs/dbraw/zinc/53/72/96/573537296.db2.gz BSACSQJSCRYXNF-RYUDHWBXSA-N 1 1 196.338 1.847 10 0 ADAEMO C[NH2+]CCCN(C)CCc1cc[nH]c1 258760892 573537297 /nfs/dbraw/zinc/53/72/97/573537297.db2.gz NDBKHARIRBOQHN-UHFFFAOYSA-N 1 1 195.310 1.099 10 0 ADAEMO Cc1[nH]cnc1C[C@@H]1CCC[NH2+]C1 257829046 573537410 /nfs/dbraw/zinc/53/74/10/573537410.db2.gz IQLALEWVQQMBRI-VIFPVBQESA-N 1 1 179.267 1.260 10 0 ADAEMO C[NH2+][C@H](C(C)=O)c1ccccc1OC 259492364 573537697 /nfs/dbraw/zinc/53/76/97/573537697.db2.gz RKIPOWBCOPVNHC-LLVKDONJSA-N 1 1 193.246 1.545 10 0 ADAEMO Cc1ccc(C[NH2+]C[C@@H](C)N)cc1C 258760912 573537704 /nfs/dbraw/zinc/53/77/04/573537704.db2.gz NDRDAJCSWJDNTF-LLVKDONJSA-N 1 1 192.306 1.740 10 0 ADAEMO Cc1cc(F)ccc1C[NH2+]CCN 50576563 573537916 /nfs/dbraw/zinc/53/79/16/573537916.db2.gz VQUAEXCDAGTYDR-UHFFFAOYSA-N 1 1 182.242 1.182 10 0 ADAEMO C[NH+](C)CC(C)(C)NCc1ccc[nH]1 308614879 573537965 /nfs/dbraw/zinc/53/79/65/573537965.db2.gz LSTYGWKVUSJIDN-UHFFFAOYSA-N 1 1 195.310 1.445 10 0 ADAEMO Cc1nc(CC[NH3+])[nH]c1C1CCC1 257829466 573537979 /nfs/dbraw/zinc/53/79/79/573537979.db2.gz IXEWRIHTJIQBAI-UHFFFAOYSA-N 1 1 179.267 1.487 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@@H]1[C@H]1N[C@H](C)CO1 258761356 573538052 /nfs/dbraw/zinc/53/80/52/573538052.db2.gz WSPKHQFBHDDZBI-MXWKQRLJSA-N 1 1 198.310 1.194 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1[C@H]1N[C@H](C)CO1 258761356 573538060 /nfs/dbraw/zinc/53/80/60/573538060.db2.gz WSPKHQFBHDDZBI-MXWKQRLJSA-N 1 1 198.310 1.194 10 0 ADAEMO Cc1ccc([C@H]2NCC[C@@H](C)[NH2+]2)cc1 238434144 573538183 /nfs/dbraw/zinc/53/81/83/573538183.db2.gz KCUVJOHDFBYLOS-PWSUYJOCSA-N 1 1 190.290 1.965 10 0 ADAEMO C[C@@H](CNC1CC1)[N@@H+]1C[C@H](C)C[C@H]1C 158280872 573538211 /nfs/dbraw/zinc/53/82/11/573538211.db2.gz IZRKMKYIZQWAHE-MXWKQRLJSA-N 1 1 196.338 1.857 10 0 ADAEMO C[C@@H](CNC1CC1)[N@H+]1C[C@H](C)C[C@H]1C 158280872 573538215 /nfs/dbraw/zinc/53/82/15/573538215.db2.gz IZRKMKYIZQWAHE-MXWKQRLJSA-N 1 1 196.338 1.857 10 0 ADAEMO Cc1ccc(F)cc1C(=O)C[NH3+] 83553862 573546281 /nfs/dbraw/zinc/54/62/81/573546281.db2.gz IWGSQHMNAMSTIR-UHFFFAOYSA-N 1 1 167.183 1.276 10 0 ADAEMO CC(C)C[C@@H](CO)[NH2+]CC(F)F 40776799 573546284 /nfs/dbraw/zinc/54/62/84/573546284.db2.gz DXAXVPYIHYXWTC-ZETCQYMHSA-N 1 1 181.226 1.248 10 0 ADAEMO Cc1cc([C@H]2CC[N@H+](C)C2)[nH]n1 259119713 573546363 /nfs/dbraw/zinc/54/63/63/573546363.db2.gz RQRZWWUPKGOLJO-QMMMGPOBSA-N 1 1 165.240 1.137 10 0 ADAEMO Cc1cc([C@H]2CC[N@@H+](C)C2)n[nH]1 259119713 573546371 /nfs/dbraw/zinc/54/63/71/573546371.db2.gz RQRZWWUPKGOLJO-QMMMGPOBSA-N 1 1 165.240 1.137 10 0 ADAEMO Cc1cc([C@H]2CC[N@H+](C)C2)n[nH]1 259119713 573546377 /nfs/dbraw/zinc/54/63/77/573546377.db2.gz RQRZWWUPKGOLJO-QMMMGPOBSA-N 1 1 165.240 1.137 10 0 ADAEMO C[C@@H]1C[C@@H]1c1cnc(C[NH3+])o1 83554434 573546526 /nfs/dbraw/zinc/54/65/26/573546526.db2.gz GVBHPTLLJVPPGQ-RITPCOANSA-N 1 1 152.197 1.257 10 0 ADAEMO Cc1ncc([C@@H]2CSCC[NH2+]2)o1 257825047 573546560 /nfs/dbraw/zinc/54/65/60/573546560.db2.gz GYXDOGZPYRQGCI-ZETCQYMHSA-N 1 1 184.264 1.361 10 0 ADAEMO [NH3+]Cc1ncc(C2CCC2)o1 83554496 573546613 /nfs/dbraw/zinc/54/66/13/573546613.db2.gz GLJVWCVQAXBUQD-UHFFFAOYSA-N 1 1 152.197 1.401 10 0 ADAEMO [NH3+]Cc1ncc(C2CCOCC2)o1 83554448 573546643 /nfs/dbraw/zinc/54/66/43/573546643.db2.gz MFDNCCAFFCROOE-UHFFFAOYSA-N 1 1 182.223 1.027 10 0 ADAEMO C[C@@H]1[C@@H](c2cn(C)cn2)CC[N@H+]1C 238436478 573546673 /nfs/dbraw/zinc/54/66/73/573546673.db2.gz FDEFGBHHIMCLIF-BDAKNGLRSA-N 1 1 179.267 1.228 10 0 ADAEMO CCC[C@@H]1C[C@@H]1c1nc(C[NH3+])no1 393667116 573546795 /nfs/dbraw/zinc/54/67/95/573546795.db2.gz MLUSFDRBRCXURG-RQJHMYQMSA-N 1 1 181.239 1.432 10 0 ADAEMO CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1N 86663179 573550232 /nfs/dbraw/zinc/55/02/32/573550232.db2.gz YXJPOIKPPIPDBD-GUBZILKMSA-N 1 1 170.300 1.644 10 0 ADAEMO C=COCCC[NH2+]Cc1nnc(C)o1 393667205 573550266 /nfs/dbraw/zinc/55/02/66/573550266.db2.gz MZDKVFQHDYFWGL-UHFFFAOYSA-N 1 1 197.238 1.018 10 0 ADAEMO C[C@H](O)[C@H](F)[C@H]1CCC[N@@H+](C)C1 257826001 573549634 /nfs/dbraw/zinc/54/96/34/573549634.db2.gz HIRGQSWDOYEROY-CIUDSAMLSA-N 1 1 175.247 1.047 10 0 ADAEMO CCN[C@@H](C[NH3+])c1c(C)cccc1C 126504167 573549712 /nfs/dbraw/zinc/54/97/12/573549712.db2.gz DHHWJIVQTIRABX-NSHDSACASA-N 1 1 192.306 1.913 10 0 ADAEMO [NH3+][C@@H](C1=CCCCCC1)c1cn[nH]n1 236305126 573549733 /nfs/dbraw/zinc/54/97/33/573549733.db2.gz GMWIIRGPGQTOKH-JTQLQIEISA-N 1 1 192.266 1.695 10 0 ADAEMO C[NH2+][C@H](C)Cc1cc(C(C)(C)C)[nH]n1 257826203 573549769 /nfs/dbraw/zinc/54/97/69/573549769.db2.gz HLBCHGNUPYCQTF-MRVPVSSYSA-N 1 1 195.310 1.858 10 0 ADAEMO C[N@H+]1CC[C@H]2C(=O)CCCC[C@@H]21 197380682 573549781 /nfs/dbraw/zinc/54/97/81/573549781.db2.gz MJAVKLRNFDWXMO-BDAKNGLRSA-N 1 1 167.252 1.450 10 0 ADAEMO C[N@@H+](CCCC(F)F)CC(C)(C)[NH3+] 688725442 573549862 /nfs/dbraw/zinc/54/98/62/573549862.db2.gz FJCWLWNTNBGCKS-UHFFFAOYSA-N 1 1 194.269 1.701 10 0 ADAEMO CN(CCCC(F)F)CC(C)(C)[NH3+] 688725442 573549869 /nfs/dbraw/zinc/54/98/69/573549869.db2.gz FJCWLWNTNBGCKS-UHFFFAOYSA-N 1 1 194.269 1.701 10 0 ADAEMO C[N@H+](CCCC(F)F)CC(C)(C)N 688725442 573549871 /nfs/dbraw/zinc/54/98/71/573549871.db2.gz FJCWLWNTNBGCKS-UHFFFAOYSA-N 1 1 194.269 1.701 10 0 ADAEMO C[N@@H+](CCCC(F)F)CC(C)(C)N 688725442 573549877 /nfs/dbraw/zinc/54/98/77/573549877.db2.gz FJCWLWNTNBGCKS-UHFFFAOYSA-N 1 1 194.269 1.701 10 0 ADAEMO C[N@H+]1CC[C@@H]2C(=O)CCCC[C@@H]21 197380710 573549951 /nfs/dbraw/zinc/54/99/51/573549951.db2.gz MJAVKLRNFDWXMO-IUCAKERBSA-N 1 1 167.252 1.450 10 0 ADAEMO CCC1CN(C2CC[NH2+]CC2)C1 86662935 573549969 /nfs/dbraw/zinc/54/99/69/573549969.db2.gz AXQUPTJFLNUHMF-UHFFFAOYSA-N 1 1 168.284 1.080 10 0 ADAEMO CCC1(CC)CN(C2CC([NH3+])C2)C1 86662779 573550088 /nfs/dbraw/zinc/55/00/88/573550088.db2.gz VJQIKIZBZGZEED-UHFFFAOYSA-N 1 1 182.311 1.598 10 0 ADAEMO CCc1nc(C[NH2+][C@@H](C)C2CC2)no1 308627998 573550117 /nfs/dbraw/zinc/55/01/17/573550117.db2.gz XQHXBILNCFBOTC-ZETCQYMHSA-N 1 1 195.266 1.520 10 0 ADAEMO C[C@@H](O)C[N@H+]1C[C@H]2CCCCC[C@H]21 687980235 573550159 /nfs/dbraw/zinc/55/01/59/573550159.db2.gz IUBIHAIFUCQBEQ-GMTAPVOTSA-N 1 1 183.295 1.632 10 0 ADAEMO CCC[C@@]1(C)CN(C)CC[N@H+]1C 259111741 573550178 /nfs/dbraw/zinc/55/01/78/573550178.db2.gz QYPRCQALYVLFKG-JTQLQIEISA-N 1 1 170.300 1.422 10 0 ADAEMO CN(C(=O)S)[C@@H]1CCC[N@@H+](C)C1 258770774 573550181 /nfs/dbraw/zinc/55/01/81/573550181.db2.gz XAZHXDLMTJLZEU-SSDOTTSWSA-N 1 1 188.296 1.062 10 0 ADAEMO CCC[C@@]1(C)C[N@H+](C)CCN1C 259111741 573550182 /nfs/dbraw/zinc/55/01/82/573550182.db2.gz QYPRCQALYVLFKG-JTQLQIEISA-N 1 1 170.300 1.422 10 0 ADAEMO CCC[C@@]1(C)C[N@@H+](C)CCN1C 259111741 573550188 /nfs/dbraw/zinc/55/01/88/573550188.db2.gz QYPRCQALYVLFKG-JTQLQIEISA-N 1 1 170.300 1.422 10 0 ADAEMO [NH3+]CCCN1CC2(CCCC2)C1 86663365 573554725 /nfs/dbraw/zinc/55/47/25/573554725.db2.gz JRWHYOOBGIJHKP-UHFFFAOYSA-N 1 1 168.284 1.211 10 0 ADAEMO CCNC[C@@H]([NH2+]C)C1CCCC1 259122834 573554784 /nfs/dbraw/zinc/55/47/84/573554784.db2.gz BHHMEDDFWOVTJZ-SNVBAGLBSA-N 1 1 170.300 1.374 10 0 ADAEMO C[C@@H]([NH3+])c1ncc(-c2ccnn2C)o1 83554554 573554800 /nfs/dbraw/zinc/55/48/00/573554800.db2.gz OACSNUJYVIDRHT-ZCFIWIBFSA-N 1 1 192.222 1.095 10 0 ADAEMO C[C@@H]([NH3+])c1ncc(-c2cnn(C)c2)o1 83554702 573554816 /nfs/dbraw/zinc/55/48/16/573554816.db2.gz GCJIBZWZCISLRI-ZCFIWIBFSA-N 1 1 192.222 1.095 10 0 ADAEMO CCNC[C@H]([NH2+]C)C1CCCC1 259122832 573554875 /nfs/dbraw/zinc/55/48/75/573554875.db2.gz BHHMEDDFWOVTJZ-JTQLQIEISA-N 1 1 170.300 1.374 10 0 ADAEMO CCc1ccc([C@H](NC)[C@@H](C)[NH3+])cc1 259505716 573554886 /nfs/dbraw/zinc/55/48/86/573554886.db2.gz REYKNWXQNXBOTE-BXKDBHETSA-N 1 1 192.306 1.857 10 0 ADAEMO C[C@H]1CCN[C@@H](c2ccccc2)[NH2+]1 238438368 573554946 /nfs/dbraw/zinc/55/49/46/573554946.db2.gz HHEGNOULRWVFSD-GXSJLCMTSA-N 1 1 176.263 1.657 10 0 ADAEMO C[C@H]([NH3+])c1ncc(-c2ccoc2)o1 83554621 573554966 /nfs/dbraw/zinc/55/49/66/573554966.db2.gz IWBMRLOFWXDRQA-LURJTMIESA-N 1 1 178.191 1.954 10 0 ADAEMO C[C@@H]([NH3+])c1ncc([C@H]2CCCO2)o1 83554680 573554989 /nfs/dbraw/zinc/55/49/89/573554989.db2.gz NVUMKRUDGLYYOO-RNFRBKRXSA-N 1 1 182.223 1.546 10 0 ADAEMO C[N@H+]1CCC[C@](CO)(C2CCCC2)C1 258773460 573555055 /nfs/dbraw/zinc/55/50/55/573555055.db2.gz LKSOEMBOOVJLFK-LBPRGKRZSA-N 1 1 197.322 1.881 10 0 ADAEMO C[NH2+]Cc1ncc([C@@H]2CCCCO2)o1 83555094 573555071 /nfs/dbraw/zinc/55/50/71/573555071.db2.gz XOZDBUFQPSEESR-QMMMGPOBSA-N 1 1 196.250 1.636 10 0 ADAEMO CN[C@@H](c1ccc(C)cc1)C1C[NH2+]C1 259120827 573555081 /nfs/dbraw/zinc/55/50/81/573555081.db2.gz BFVNJMLESKLJNG-LBPRGKRZSA-N 1 1 190.290 1.475 10 0 ADAEMO C[NH2+]Cc1ncc([C@@H]2C[C@@H]2C)o1 83555133 573555134 /nfs/dbraw/zinc/55/51/34/573555134.db2.gz XHFZJBFLQPJVQE-NKWVEPMBSA-N 1 1 166.224 1.517 10 0 ADAEMO NC1CC([NH+]2CCCCCC2)C1 86662788 573555150 /nfs/dbraw/zinc/55/51/50/573555150.db2.gz DCCUFPRVCKMRMK-UHFFFAOYSA-N 1 1 168.284 1.352 10 0 ADAEMO CCCc1cnc([C@@H](C)[NH3+])o1 83554574 573555151 /nfs/dbraw/zinc/55/51/51/573555151.db2.gz XQTZHAAHGVVLOH-ZCFIWIBFSA-N 1 1 154.213 1.647 10 0 ADAEMO [NH3+]C1CC(N2CC3(CCCCC3)C2)C1 86662784 573555175 /nfs/dbraw/zinc/55/51/75/573555175.db2.gz TYGFWLVACQXTDY-UHFFFAOYSA-N 1 1 194.322 1.742 10 0 ADAEMO C[C@@H]([NH3+])c1ncc([C@@H]2CCCCO2)o1 83554550 573555292 /nfs/dbraw/zinc/55/52/92/573555292.db2.gz JCDOQZVOKKGTRM-SFYZADRCSA-N 1 1 196.250 1.936 10 0 ADAEMO C[C@@H]([NH3+])c1ncc(C[C@H]2CCCO2)o1 83554712 573555308 /nfs/dbraw/zinc/55/53/08/573555308.db2.gz REOODDOPCZZBMB-HTQZYQBOSA-N 1 1 196.250 1.416 10 0 ADAEMO C[C@H]([C@H]1CCC[NH2+]C1)N1CC(C)(C)C1 86663358 573555334 /nfs/dbraw/zinc/55/53/34/573555334.db2.gz QKBIDBYFZIFWGL-MNOVXSKESA-N 1 1 196.338 1.716 10 0 ADAEMO C[C@@H]1CCC[C@H]2CC(=O)CC[N@H+]21 197045088 573555356 /nfs/dbraw/zinc/55/53/56/573555356.db2.gz RZKUAFVYXNIANN-BDAKNGLRSA-N 1 1 167.252 1.592 10 0 ADAEMO C[C@@H]([NH3+])c1ncc([C@@H]2CCCOC2)o1 83554740 573555365 /nfs/dbraw/zinc/55/53/65/573555365.db2.gz PMNQGXUSULQLAJ-HTQZYQBOSA-N 1 1 196.250 1.588 10 0 ADAEMO CCOC(=O)[C@@]12CCC[N@H+]1[C@@H](C)CC2 259506605 573555378 /nfs/dbraw/zinc/55/53/78/573555378.db2.gz BJIJSLBBQSRJSR-ONGXEEELSA-N 1 1 197.278 1.566 10 0 ADAEMO CC(C)[N@@H+](C)CC1(CO)CCC1 259120966 573555479 /nfs/dbraw/zinc/55/54/79/573555479.db2.gz YIWNCESXBJLOGF-UHFFFAOYSA-N 1 1 171.284 1.489 10 0 ADAEMO C[NH2+]Cc1ncc([C@@H]2CCCOC2)o1 83555277 573555392 /nfs/dbraw/zinc/55/53/92/573555392.db2.gz JKSOZGYTGBTPGL-MRVPVSSYSA-N 1 1 196.250 1.288 10 0 ADAEMO C[C@H]([NH3+])c1ncc(C[C@H]2CCCO2)o1 83554711 573555445 /nfs/dbraw/zinc/55/54/45/573555445.db2.gz REOODDOPCZZBMB-JGVFFNPUSA-N 1 1 196.250 1.416 10 0 ADAEMO COC(=O)CC[C@@H]1CCC[N@@H+](C)[C@@H]1C 259505301 573555451 /nfs/dbraw/zinc/55/54/51/573555451.db2.gz BEYYVWNCLGFXRL-ZJUUUORDSA-N 1 1 199.294 1.670 10 0 ADAEMO C[NH2+][C@@H](C)c1ncc([C@H]2CCCO2)o1 83556157 573555468 /nfs/dbraw/zinc/55/54/68/573555468.db2.gz LUZIRZVPNIJPSB-JGVFFNPUSA-N 1 1 196.250 1.807 10 0 ADAEMO CCC1CN([C@@H]2CCCCC[C@@H]2[NH3+])C1 86678525 573560109 /nfs/dbraw/zinc/56/01/09/573560109.db2.gz IFYMUEGCOZRFSQ-NWDGAFQWSA-N 1 1 196.338 1.988 10 0 ADAEMO CCC1C[NH+]([C@@H]2CCCCC[C@@H]2N)C1 86678525 573560116 /nfs/dbraw/zinc/56/01/16/573560116.db2.gz IFYMUEGCOZRFSQ-NWDGAFQWSA-N 1 1 196.338 1.988 10 0 ADAEMO CCCC1CN(c2ccc(N)[nH+]c2)C1 86677995 573560183 /nfs/dbraw/zinc/56/01/83/573560183.db2.gz VVMZNHBJJQWHAX-UHFFFAOYSA-N 1 1 191.278 1.900 10 0 ADAEMO CC(C)[NH2+][C@@H]1CCCCC[C@@H]1N 86678573 573560196 /nfs/dbraw/zinc/56/01/96/573560196.db2.gz AAFRDQFVOVQECU-VHSXEESVSA-N 1 1 170.300 1.644 10 0 ADAEMO Cn1ccc([C@@H]([NH3+])c2ccoc2)n1 83573580 573560225 /nfs/dbraw/zinc/56/02/25/573560225.db2.gz DSZYTSHDPGVCRW-VIFPVBQESA-N 1 1 177.207 1.061 10 0 ADAEMO COC(=O)[C@H]1C[N@@H+](C)CC[C@@H]1C(C)C 257830860 573560248 /nfs/dbraw/zinc/56/02/48/573560248.db2.gz HINMGTJDJKJQFL-ZJUUUORDSA-N 1 1 199.294 1.383 10 0 ADAEMO CC1C[NH+](C2(CN)CCCC2)C1 86679163 573560405 /nfs/dbraw/zinc/56/04/05/573560405.db2.gz GVMYOUIVNYCXGO-UHFFFAOYSA-N 1 1 168.284 1.210 10 0 ADAEMO CC1CN(C2(C[NH3+])CCCC2)C1 86679163 573560410 /nfs/dbraw/zinc/56/04/10/573560410.db2.gz GVMYOUIVNYCXGO-UHFFFAOYSA-N 1 1 168.284 1.210 10 0 ADAEMO C[C@H](CN)[NH+]1CC(C(C)(C)C)C1 86678909 573560514 /nfs/dbraw/zinc/56/05/14/573560514.db2.gz PWJTVHOZIYOBAK-MRVPVSSYSA-N 1 1 170.300 1.312 10 0 ADAEMO CC1C[NH+](C[C@@H](N)c2ccccc2)C1 86678053 573560531 /nfs/dbraw/zinc/56/05/31/573560531.db2.gz NSEBLQBDDLRROS-GFCCVEGCSA-N 1 1 190.290 1.638 10 0 ADAEMO CC1(C)C[NH+]([C@@H](CN)C2CC2)C1 86679611 573560564 /nfs/dbraw/zinc/56/05/64/573560564.db2.gz IKLVGCNCUPNPMB-VIFPVBQESA-N 1 1 168.284 1.066 10 0 ADAEMO CC[C@H](CN)[NH+]1CC2(CCCC2)C1 86679643 573560605 /nfs/dbraw/zinc/56/06/05/573560605.db2.gz YMMXDXQMWNAMCZ-SNVBAGLBSA-N 1 1 182.311 1.600 10 0 ADAEMO C[C@@H]([NH3+])Cc1[nH]ncc1C1CCCC1 257830453 573560640 /nfs/dbraw/zinc/56/06/40/573560640.db2.gz JMYAUNQUZZTEPX-MRVPVSSYSA-N 1 1 193.294 1.957 10 0 ADAEMO CCC1C[NH+]([C@H](CC)CN)C1 86679627 573560659 /nfs/dbraw/zinc/56/06/59/573560659.db2.gz NJSXOLJWBKPFNY-SECBINFHSA-N 1 1 156.273 1.066 10 0 ADAEMO CC1CN([C@H]2CCCCC[C@H]2[NH3+])C1 86678536 573560692 /nfs/dbraw/zinc/56/06/92/573560692.db2.gz IRKOODKTQBKQKG-MNOVXSKESA-N 1 1 182.311 1.598 10 0 ADAEMO N[C@@H](CC[NH3+])c1coc2ccccc12 259511443 573565730 /nfs/dbraw/zinc/56/57/30/573565730.db2.gz VDIJZJYQMKEDPE-JTQLQIEISA-N 1 1 190.246 1.781 10 0 ADAEMO C[C@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238432215 573565748 /nfs/dbraw/zinc/56/57/48/573565748.db2.gz PTCGYHQIMQCUOG-KXGXSXBTSA-N 1 1 194.322 1.739 10 0 ADAEMO COC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C 308624952 573565753 /nfs/dbraw/zinc/56/57/53/573565753.db2.gz VMXXMHSTZJIRRH-IVZWLZJFSA-N 1 1 199.294 1.572 10 0 ADAEMO Cc1nc2cc(NC[NH3+])ccc2n1C 258777965 573565936 /nfs/dbraw/zinc/56/59/36/573565936.db2.gz BHLPTUPIFLJPRL-UHFFFAOYSA-N 1 1 190.250 1.210 10 0 ADAEMO CC1=CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 75423269 573568363 /nfs/dbraw/zinc/56/83/63/573568363.db2.gz FXRJBSCEKKBHIG-LBPRGKRZSA-N 1 1 194.322 1.638 10 0 ADAEMO CCCc1nc(C[NH2+]C(C)(C)C)no1 308625245 573568495 /nfs/dbraw/zinc/56/84/95/573568495.db2.gz VRZBREPSUNMMQL-UHFFFAOYSA-N 1 1 197.282 1.910 10 0 ADAEMO Cc1c(C(=O)C[NH3+])ccc2occc12 75428270 573568798 /nfs/dbraw/zinc/56/87/98/573568798.db2.gz AGQYXPFOAJTSFT-UHFFFAOYSA-N 1 1 189.214 1.883 10 0 ADAEMO CC(C)[N@H+]1C[C@H](O)CCC1(C)C 259511683 573568830 /nfs/dbraw/zinc/56/88/30/573568830.db2.gz UNRHJHYYHLQCDG-SECBINFHSA-N 1 1 171.284 1.630 10 0 ADAEMO CCC(CC)C[N@@H+]1CCC(=O)C1 130383439 573568905 /nfs/dbraw/zinc/56/89/05/573568905.db2.gz YKPPYQHVJWCGJK-UHFFFAOYSA-N 1 1 169.268 1.697 10 0 ADAEMO CCC(CC)C[N@H+]1CCC(=O)C1 130383439 573568908 /nfs/dbraw/zinc/56/89/08/573568908.db2.gz YKPPYQHVJWCGJK-UHFFFAOYSA-N 1 1 169.268 1.697 10 0 ADAEMO C[N@@H+](C1CCCC1)C1(CO)CCC1 306422232 573569877 /nfs/dbraw/zinc/56/98/77/573569877.db2.gz ANQMVGKPEPMFEI-UHFFFAOYSA-N 1 1 183.295 1.776 10 0 ADAEMO COC(=O)[C@@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C 308624947 573569924 /nfs/dbraw/zinc/56/99/24/573569924.db2.gz VMXXMHSTZJIRRH-BBBLOLIVSA-N 1 1 199.294 1.572 10 0 ADAEMO C[C@H]1[C@@H](CCCO)CC[N@H+]1C 238444130 573569968 /nfs/dbraw/zinc/56/99/68/573569968.db2.gz AGFCKAHUTYTBSH-IUCAKERBSA-N 1 1 157.257 1.099 10 0 ADAEMO CN1CC[N@@H+](C)C[C@@H]1c1cccs1 258779742 573570103 /nfs/dbraw/zinc/57/01/03/573570103.db2.gz LXKIOOLXUBJJJO-SECBINFHSA-N 1 1 196.319 1.666 10 0 ADAEMO CN1CC[N@H+](C)[C@@H](c2cccs2)C1 258779742 573570105 /nfs/dbraw/zinc/57/01/05/573570105.db2.gz LXKIOOLXUBJJJO-SECBINFHSA-N 1 1 196.319 1.666 10 0 ADAEMO CN1CC[N@@H+](C)[C@@H](c2cccs2)C1 258779742 573570112 /nfs/dbraw/zinc/57/01/12/573570112.db2.gz LXKIOOLXUBJJJO-SECBINFHSA-N 1 1 196.319 1.666 10 0 ADAEMO C[NH2+]CC[C@@H](C)[N@@H+]1C[C@H]2CCC[C@H]2C1 126568077 573570271 /nfs/dbraw/zinc/57/02/71/573570271.db2.gz TWHSXIWNONIRKS-UTUOFQBUSA-N 1 1 196.338 1.716 10 0 ADAEMO Cc1c(C(=O)C[NH3+])ccc2c1CCO2 75429286 573570278 /nfs/dbraw/zinc/57/02/78/573570278.db2.gz HBFVARPQKJHGDQ-UHFFFAOYSA-N 1 1 191.230 1.071 10 0 ADAEMO Cc1[nH+]c(N)[nH]c1Cc1ccco1 258779531 573570299 /nfs/dbraw/zinc/57/02/99/573570299.db2.gz LVOLDYPGECNMIN-UHFFFAOYSA-N 1 1 177.207 1.484 10 0 ADAEMO CN1CC[N@@H+](C)C[C@H]1c1cccs1 258779747 573570352 /nfs/dbraw/zinc/57/03/52/573570352.db2.gz LXKIOOLXUBJJJO-VIFPVBQESA-N 1 1 196.319 1.666 10 0 ADAEMO CN1CC[N@H+](C)[C@H](c2cccs2)C1 258779747 573570359 /nfs/dbraw/zinc/57/03/59/573570359.db2.gz LXKIOOLXUBJJJO-VIFPVBQESA-N 1 1 196.319 1.666 10 0 ADAEMO CN1CC[N@@H+](C)[C@H](c2cccs2)C1 258779747 573570364 /nfs/dbraw/zinc/57/03/64/573570364.db2.gz LXKIOOLXUBJJJO-VIFPVBQESA-N 1 1 196.319 1.666 10 0 ADAEMO CCc1nc(C[NH3+])oc1C 75423127 573570387 /nfs/dbraw/zinc/57/03/87/573570387.db2.gz JEJASMDWCLVRAS-UHFFFAOYSA-N 1 1 140.186 1.004 10 0 ADAEMO Cc1ccc([C@@H]2CC[N@H+](C)C2)cc1N 257829718 573573897 /nfs/dbraw/zinc/57/38/97/573573897.db2.gz IUPKIMBXESMDLA-LLVKDONJSA-N 1 1 190.290 1.996 10 0 ADAEMO N[C@@H](C1CCCC1)[C@H]1CCCC[NH2+]1 259513202 573573382 /nfs/dbraw/zinc/57/33/82/573573382.db2.gz VGRDMQASZJHARB-MNOVXSKESA-N 1 1 182.311 1.646 10 0 ADAEMO C[C@@H]1CCCC[C@H]1[NH+]1CC(N)C1 83634026 573573391 /nfs/dbraw/zinc/57/33/91/573573391.db2.gz WEGWLGHRRWCRSM-PSASIEDQSA-N 1 1 168.284 1.208 10 0 ADAEMO CC1(C)CCC[C@H]([NH+]2CC(N)C2)C1 83634920 573573447 /nfs/dbraw/zinc/57/34/47/573573447.db2.gz JNBGWHWVBIQJBB-JTQLQIEISA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@H](C)C[C@@H](CC)[NH+]1CC(N)C1 83634351 573573482 /nfs/dbraw/zinc/57/34/82/573573482.db2.gz AWQSFTDHGOBZMC-GXSJLCMTSA-N 1 1 184.327 1.844 10 0 ADAEMO C[NH2+]CCCc1[nH]ncc1C1CC1 257832587 573573505 /nfs/dbraw/zinc/57/35/05/573573505.db2.gz KQGSSYZYBPVUDB-UHFFFAOYSA-N 1 1 179.267 1.439 10 0 ADAEMO COc1ccc(C)cc1[C@](C)([NH3+])CN 259113784 573573512 /nfs/dbraw/zinc/57/35/12/573573512.db2.gz RGZPRIXYSSYUFH-LLVKDONJSA-N 1 1 194.278 1.136 10 0 ADAEMO CC(C)[C@@H](C)[N@@H+]1Cc2cncnc2C1 585332262 573573531 /nfs/dbraw/zinc/57/35/31/573573531.db2.gz PBAIDENGTLPLHU-SECBINFHSA-N 1 1 191.278 1.837 10 0 ADAEMO CC(C)[C@@H](C)[N@H+]1Cc2cncnc2C1 585332262 573573538 /nfs/dbraw/zinc/57/35/38/573573538.db2.gz PBAIDENGTLPLHU-SECBINFHSA-N 1 1 191.278 1.837 10 0 ADAEMO C[C@H]1CCC[C@H](C)C1N1CC([NH3+])C1 83634170 573573575 /nfs/dbraw/zinc/57/35/75/573573575.db2.gz BNZIQZZEHIOGDA-IUCAKERBSA-N 1 1 182.311 1.454 10 0 ADAEMO NC1C[NH+]([C@H]2CCC[C@@H](C3CC3)C2)C1 83634124 573573654 /nfs/dbraw/zinc/57/36/54/573573654.db2.gz FQVPKDKXYUSUEO-PWSUYJOCSA-N 1 1 194.322 1.598 10 0 ADAEMO C[C@H]1CCCC[C@@H]1[NH+]1CC(N)C1 83634025 573576956 /nfs/dbraw/zinc/57/69/56/573576956.db2.gz WEGWLGHRRWCRSM-WPRPVWTQSA-N 1 1 168.284 1.208 10 0 ADAEMO Cc1cc(F)cc([C@@H](N)C[NH+](C)C)c1 86693692 573577030 /nfs/dbraw/zinc/57/70/30/573577030.db2.gz OGMLAKKPBWFXHQ-NSHDSACASA-N 1 1 196.269 1.696 10 0 ADAEMO CCC[N@@H+](CCO)Cc1ccc[nH]1 308401272 573577223 /nfs/dbraw/zinc/57/72/23/573577223.db2.gz HGDIEZQNMUSEPY-UHFFFAOYSA-N 1 1 182.267 1.219 10 0 ADAEMO C[NH2+][C@H]1CCN2CCCC[C@@H]2C1 107404545 573577224 /nfs/dbraw/zinc/57/72/24/573577224.db2.gz XEUOZPNVGNZKFM-VHSXEESVSA-N 1 1 168.284 1.223 10 0 ADAEMO CC(C)[N@H+]1C[C@@H](CO)CCC1(C)C 259517401 573577328 /nfs/dbraw/zinc/57/73/28/573577328.db2.gz UZDIIYCUUNYVPG-JTQLQIEISA-N 1 1 185.311 1.878 10 0 ADAEMO CC(=O)C[C@H]1CCC[N@H+](C)CC1 107404991 573577424 /nfs/dbraw/zinc/57/74/24/573577424.db2.gz DFTKHLPLNAPZKO-JTQLQIEISA-N 1 1 169.268 1.697 10 0 ADAEMO CCC[C@@H]1CCCC[N@@H+]1CCNC 213068558 573577431 /nfs/dbraw/zinc/57/74/31/573577431.db2.gz HZVICVNWCPQXQC-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO CCC[C@@H]1CCCC[N@H+]1CCNC 213068558 573577434 /nfs/dbraw/zinc/57/74/34/573577434.db2.gz HZVICVNWCPQXQC-LLVKDONJSA-N 1 1 184.327 1.860 10 0 ADAEMO C/C=C\C[N@@H+]1CCNC[C@@H]1C(C)(C)C 308401581 573577491 /nfs/dbraw/zinc/57/74/91/573577491.db2.gz RUFOTXMAPFJBEY-ISALQUGTSA-N 1 1 196.338 1.882 10 0 ADAEMO C/C=C\C[N@H+]1CCNC[C@@H]1C(C)(C)C 308401581 573577497 /nfs/dbraw/zinc/57/74/97/573577497.db2.gz RUFOTXMAPFJBEY-ISALQUGTSA-N 1 1 196.338 1.882 10 0 ADAEMO C[C@@H]1CC[N@H+]1Cc1ccccc1N 86688191 573577502 /nfs/dbraw/zinc/57/75/02/573577502.db2.gz WQOHOOWMKBVKBR-SECBINFHSA-N 1 1 176.263 1.863 10 0 ADAEMO Cc1cc2ccccn2c1[NH2+]N 259517667 573577563 /nfs/dbraw/zinc/57/75/63/573577563.db2.gz PIWQJIWNWJAKGX-UHFFFAOYSA-N 1 1 161.208 1.533 10 0 ADAEMO Cc1[nH+]ccn1-c1nccn2nccc12 130445058 573583645 /nfs/dbraw/zinc/58/36/45/573583645.db2.gz YJNLTXWBJPZDOI-UHFFFAOYSA-N 1 1 199.217 1.223 10 0 ADAEMO CC(C)[C@H](CN)[N@@H+](C)C(C)(C)C 258803772 573583659 /nfs/dbraw/zinc/58/36/59/573583659.db2.gz KHYYOFQDVXXVPE-VIFPVBQESA-N 1 1 172.316 1.700 10 0 ADAEMO C[C@H]([NH3+])c1n[nH]c2cc(F)ccc12 107410025 573583878 /nfs/dbraw/zinc/58/38/78/573583878.db2.gz KWEDWNICKWAILN-YFKPBYRVSA-N 1 1 179.198 1.722 10 0 ADAEMO CN(Cc1cc[nH]c1)C[C@@H]1CC[NH2+]C1 258805395 573583906 /nfs/dbraw/zinc/58/39/06/573583906.db2.gz DDRJOHWZVLXRLY-LLVKDONJSA-N 1 1 193.294 1.056 10 0 ADAEMO C[C@@H]([NH3+])c1n[nH]c2cc(F)ccc12 107410028 573583923 /nfs/dbraw/zinc/58/39/23/573583923.db2.gz KWEDWNICKWAILN-RXMQYKEDSA-N 1 1 179.198 1.722 10 0 ADAEMO NC1([C@H]([NH3+])c2ccc(Cl)cc2)CC1 259115253 573584052 /nfs/dbraw/zinc/58/40/52/573584052.db2.gz ADKABYOFGOCIPH-SECBINFHSA-N 1 1 196.681 1.831 10 0 ADAEMO CC[C@@H]1CC[N@@H+](C[C@@H](C)CO)[C@@H]1C 308402805 573584056 /nfs/dbraw/zinc/58/40/56/573584056.db2.gz HXHKKIOMHHJPCI-GMTAPVOTSA-N 1 1 185.311 1.735 10 0 ADAEMO CC[C@@H](C)N[C@H]1C[NH2+]C(C)(C)C1 258802091 573584113 /nfs/dbraw/zinc/58/41/13/573584113.db2.gz SRYWPTBDEGZBAQ-RKDXNWHRSA-N 1 1 170.300 1.515 10 0 ADAEMO CC(C)C(C)(C)C[NH2+][C@@H]1CCOC1=O 308637328 573585885 /nfs/dbraw/zinc/58/58/85/573585885.db2.gz CTWLUEGFLVUSMQ-SECBINFHSA-N 1 1 199.294 1.574 10 0 ADAEMO CN1CC[N@H+](C)C[C@H]1c1ccco1 258804228 573585931 /nfs/dbraw/zinc/58/59/31/573585931.db2.gz NNYFYROIQDWYJD-VIFPVBQESA-N 1 1 180.251 1.198 10 0 ADAEMO CN1CC[N@@H+](C)C[C@H]1c1ccco1 258804228 573585937 /nfs/dbraw/zinc/58/59/37/573585937.db2.gz NNYFYROIQDWYJD-VIFPVBQESA-N 1 1 180.251 1.198 10 0 ADAEMO CC1=C[C@H](C)[C@@H]2C[N@@H+](C)C[C@@H]2[C@@H]1N 238442118 573585999 /nfs/dbraw/zinc/58/59/99/573585999.db2.gz IBXKWTWHPOSMEQ-DMLMCSCLSA-N 1 1 180.295 1.088 10 0 ADAEMO CC1=C[C@H](C)[C@@H]2C[N@H+](C)C[C@@H]2[C@@H]1N 238442118 573586002 /nfs/dbraw/zinc/58/60/02/573586002.db2.gz IBXKWTWHPOSMEQ-DMLMCSCLSA-N 1 1 180.295 1.088 10 0 ADAEMO CC[C@H](C)[N@@H+]1C[C@@H](NC)CC1(C)C 259519257 573586021 /nfs/dbraw/zinc/58/60/21/573586021.db2.gz VELNEKDWEMCHKW-UWVGGRQHSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@@H](NC)CC1(C)C 259519257 573586027 /nfs/dbraw/zinc/58/60/27/573586027.db2.gz VELNEKDWEMCHKW-UWVGGRQHSA-N 1 1 184.327 1.857 10 0 ADAEMO C[C@@H](O)[C@@]12CCCC[N@@H+]1CCC2 238442364 573586214 /nfs/dbraw/zinc/58/62/14/573586214.db2.gz GYQLCXFDKRLSBP-ZJUUUORDSA-N 1 1 169.268 1.386 10 0 ADAEMO CC[C@H](C)N[C@H]1C[NH2+]C(C)(C)C1 258802082 573586235 /nfs/dbraw/zinc/58/62/35/573586235.db2.gz SRYWPTBDEGZBAQ-DTWKUNHWSA-N 1 1 170.300 1.515 10 0 ADAEMO CCCc1nc(C[C@@H](C)C[NH3+])[nH]c1C 258803247 573586343 /nfs/dbraw/zinc/58/63/43/573586343.db2.gz WXQANVMAAPIYSD-MRVPVSSYSA-N 1 1 195.310 1.808 10 0 ADAEMO CCCc1[nH]c(C[C@@H](C)C[NH3+])nc1C 258803247 573586348 /nfs/dbraw/zinc/58/63/48/573586348.db2.gz WXQANVMAAPIYSD-MRVPVSSYSA-N 1 1 195.310 1.808 10 0 ADAEMO Cc1ccc([C@H]([NH3+])C2(N)CC2)cc1C 259519505 573586405 /nfs/dbraw/zinc/58/64/05/573586405.db2.gz SAZVPFPWANFUQS-NSHDSACASA-N 1 1 190.290 1.795 10 0 ADAEMO C[C@H]1[C@@H](C)[C@@H](C)[N@@H+](CCO)[C@@H]1C 238441806 573587310 /nfs/dbraw/zinc/58/73/10/573587310.db2.gz JJZQRTLEXMBIFW-UTINFBMNSA-N 1 1 171.284 1.344 10 0 ADAEMO CC[C@H](C)[N@@H+]1C[C@H](NC)CC1(C)C 259519258 573587335 /nfs/dbraw/zinc/58/73/35/573587335.db2.gz VELNEKDWEMCHKW-VHSXEESVSA-N 1 1 184.327 1.857 10 0 ADAEMO CC[C@H](C)[N@H+]1C[C@H](NC)CC1(C)C 259519258 573587340 /nfs/dbraw/zinc/58/73/40/573587340.db2.gz VELNEKDWEMCHKW-VHSXEESVSA-N 1 1 184.327 1.857 10 0 ADAEMO CC(C)[C@@H](CN)[N@@H+](C)C(C)(C)C 258803770 573587345 /nfs/dbraw/zinc/58/73/45/573587345.db2.gz KHYYOFQDVXXVPE-SECBINFHSA-N 1 1 172.316 1.700 10 0 ADAEMO C[NH2+]CCCN(C)CCc1ccc[nH]1 258803496 573587442 /nfs/dbraw/zinc/58/74/42/573587442.db2.gz RRYCLUQYZGHFNN-UHFFFAOYSA-N 1 1 195.310 1.099 10 0 ADAEMO CC[N@@H+](CC1CC1)[C@@H]1CC[NH2+]C[C@H]1C 308640914 573587485 /nfs/dbraw/zinc/58/74/85/573587485.db2.gz CYNBBIVZCTUMOU-ZYHUDNBSSA-N 1 1 196.338 1.716 10 0 ADAEMO CC[N@@H+](CC1CC1)[C@H]1CC[NH2+]C[C@@H]1C 308640912 573587639 /nfs/dbraw/zinc/58/76/39/573587639.db2.gz CYNBBIVZCTUMOU-JQWIXIFHSA-N 1 1 196.338 1.716 10 0 ADAEMO CC(C)C[N@H+]1CCC(C)(C)[C@@H](CO)C1 259117496 573587710 /nfs/dbraw/zinc/58/77/10/573587710.db2.gz BWIXSOTWJXBFTB-LLVKDONJSA-N 1 1 199.338 1.983 10 0 ADAEMO Cc1[nH]c([C@H](CO)C(C)C)[nH+]c1C 258806211 573587819 /nfs/dbraw/zinc/58/78/19/573587819.db2.gz XKEPBEBLYBHSNJ-SECBINFHSA-N 1 1 182.267 1.758 10 0 ADAEMO CC(C)C[N@H+]1CCC[C@@H](N)C1(C)C 258804150 573587974 /nfs/dbraw/zinc/58/79/74/573587974.db2.gz NLUQYZVBKXTPIJ-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CC(C)CN1CCC[C@@H]([NH3+])C1(C)C 258804150 573587977 /nfs/dbraw/zinc/58/79/77/573587977.db2.gz NLUQYZVBKXTPIJ-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CN1CC[N@H+](C)C[C@@H]1c1ccco1 258804226 573588067 /nfs/dbraw/zinc/58/80/67/573588067.db2.gz NNYFYROIQDWYJD-SECBINFHSA-N 1 1 180.251 1.198 10 0 ADAEMO CN1CC[N@@H+](C)C[C@@H]1c1ccco1 258804226 573588073 /nfs/dbraw/zinc/58/80/73/573588073.db2.gz NNYFYROIQDWYJD-SECBINFHSA-N 1 1 180.251 1.198 10 0 ADAEMO C[C@@H]1Oc2ccc(N)cc2NC1=[NH2+] 75489796 573590349 /nfs/dbraw/zinc/59/03/49/573590349.db2.gz QZXLKDQUIQUKHC-YFKPBYRVSA-N 1 1 177.207 1.038 10 0 ADAEMO C[C@@H]1[C@H](CCO)[C@@H]2CCCC[C@@H]2[N@H+]1C 238443698 573590357 /nfs/dbraw/zinc/59/03/57/573590357.db2.gz VFQFCAUJBVYBAQ-RHYQMDGZSA-N 1 1 197.322 1.878 10 0 ADAEMO O[C@@H]1C[N@@H+](CCCCF)CC12CC2 308404413 573590435 /nfs/dbraw/zinc/59/04/35/573590435.db2.gz KVHSPPOGISTYTB-SECBINFHSA-N 1 1 187.258 1.193 10 0 ADAEMO CC(C)([NH3+])C[C@@H](N)c1cccc(F)c1 259521673 573590456 /nfs/dbraw/zinc/59/04/56/573590456.db2.gz VUTIUSDANORWNJ-SNVBAGLBSA-N 1 1 196.269 1.953 10 0 ADAEMO C[N@H+]1CCC[C@H](/C=C\CCO)C1 258063781 573590562 /nfs/dbraw/zinc/59/05/62/573590562.db2.gz DWDBGTIGLRMWBG-ODTOEKCJSA-N 1 1 169.268 1.267 10 0 ADAEMO C[C@H](CN)[N@H+]1CCCC(C)(C)CC1 83680178 573590568 /nfs/dbraw/zinc/59/05/68/573590568.db2.gz FHTSRDMQIQJBIO-SNVBAGLBSA-N 1 1 184.327 1.846 10 0 ADAEMO Cc1ccc([C@H]2[NH2+]CC(C)(C)O2)o1 258813029 573590609 /nfs/dbraw/zinc/59/06/09/573590609.db2.gz YKTYPRWYLPUYPM-VIFPVBQESA-N 1 1 181.235 1.985 10 0 ADAEMO CO[C@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 308405006 573590677 /nfs/dbraw/zinc/59/06/77/573590677.db2.gz JFHKYNZXDJSFHY-ONGXEEELSA-N 1 1 183.295 1.896 10 0 ADAEMO Cc1occc1CNCC(C)(C)C[NH3+] 308641229 573590784 /nfs/dbraw/zinc/59/07/84/573590784.db2.gz DCPSHUGACHHEFH-UHFFFAOYSA-N 1 1 196.294 1.663 10 0 ADAEMO C/C=C/C[N@@H+]1CC[C@@H](CCOC)C1 308405029 573590804 /nfs/dbraw/zinc/59/08/04/573590804.db2.gz JGCKOMHLXHHSRJ-UFFNRZRYSA-N 1 1 183.295 1.921 10 0 ADAEMO CC(C)c1ccc(CC[NH2+]CN)cc1 258812874 573590805 /nfs/dbraw/zinc/59/08/05/573590805.db2.gz FNWHPFJFQFEKLW-UHFFFAOYSA-N 1 1 192.306 1.858 10 0 ADAEMO C[NH2+][C@@H](C)CC1=CC[N@@H+](C)CC1 258063984 573590927 /nfs/dbraw/zinc/59/09/27/573590927.db2.gz LYVTWYSSYSNUBD-VIFPVBQESA-N 1 1 168.284 1.246 10 0 ADAEMO [NH3+]Cc1n[nH]cc1Cc1ccccc1 259521188 573590936 /nfs/dbraw/zinc/59/09/36/573590936.db2.gz AHPXYLLMKHUAJI-UHFFFAOYSA-N 1 1 187.246 1.459 10 0 ADAEMO C[C@H]1C[C@H](CCO)CC[N@H+]1C 144488322 573590319 /nfs/dbraw/zinc/59/03/19/573590319.db2.gz KNKRSHUAKMXBDO-IUCAKERBSA-N 1 1 157.257 1.099 10 0 ADAEMO C/C=C/C[N@@H+](C)[C@@H](CC)C(=O)OC 308405378 573592827 /nfs/dbraw/zinc/59/28/27/573592827.db2.gz JJGBMHLLVSSYJH-IWGCBNPKSA-N 1 1 185.267 1.446 10 0 ADAEMO CC1(c2ncc(C[NH3+])[nH]2)CCC1 259521221 573592132 /nfs/dbraw/zinc/59/21/32/573592132.db2.gz AIJLCSJHRRXNFU-UHFFFAOYSA-N 1 1 165.240 1.310 10 0 ADAEMO CC[N@H+]1CCC[C@@H](CCONC)C1 258063517 573592216 /nfs/dbraw/zinc/59/22/16/573592216.db2.gz VIXHMKWOQKHGHW-JTQLQIEISA-N 1 1 186.299 1.259 10 0 ADAEMO C[N@H+]1CCC[C@@](C)(c2cc(N)on2)C1 257835392 573592223 /nfs/dbraw/zinc/59/22/23/573592223.db2.gz AISLISVLWQUMMJ-SNVBAGLBSA-N 1 1 195.266 1.240 10 0 ADAEMO CC1(C)CCC[N@@H+](CCC(N)=O)CC1 83680982 573592236 /nfs/dbraw/zinc/59/22/36/573592236.db2.gz DPXVCANRVHLULE-UHFFFAOYSA-N 1 1 198.310 1.374 10 0 ADAEMO CC1(C)CO[C@](C)([C@H]2CCC[NH2+]C2)N1 258813508 573592273 /nfs/dbraw/zinc/59/22/73/573592273.db2.gz YLPSLIJNNVCRKB-GXSJLCMTSA-N 1 1 198.310 1.101 10 0 ADAEMO C[NH2+][C@@H](CC(C)C)C1(CN)CC1 259521627 573592277 /nfs/dbraw/zinc/59/22/77/573592277.db2.gz UDRMLDAJUVLETH-VIFPVBQESA-N 1 1 170.300 1.359 10 0 ADAEMO C[C@@H](C[NH3+])c1[nH]nc2cc(F)ccc12 107424339 573592500 /nfs/dbraw/zinc/59/25/00/573592500.db2.gz RKFFZZPAPHMETA-LURJTMIESA-N 1 1 193.225 1.764 10 0 ADAEMO C[N@H+]1CCCNC[C@H]1C1CCCC1 82394822 573592584 /nfs/dbraw/zinc/59/25/84/573592584.db2.gz VHPRYIGIVAUIGD-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO CN1CCC[NH2+]C[C@H]1C1CCCC1 82394822 573592587 /nfs/dbraw/zinc/59/25/87/573592587.db2.gz VHPRYIGIVAUIGD-NSHDSACASA-N 1 1 182.311 1.470 10 0 ADAEMO Cc1nc(C)n(CCC[NH3+])c1C 60312297 573592632 /nfs/dbraw/zinc/59/26/32/573592632.db2.gz CZUXFFSUVDISFM-UHFFFAOYSA-N 1 1 167.256 1.157 10 0 ADAEMO C[C@@H](CN)[N@H+]1CCCC(C)(C)CC1 83680175 573592699 /nfs/dbraw/zinc/59/26/99/573592699.db2.gz FHTSRDMQIQJBIO-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO C[NH2+][C@@H]1c2c(n[nH]c2C(C)C)C[C@H]1C 107426607 573592725 /nfs/dbraw/zinc/59/27/25/573592725.db2.gz AYEVNHKTCJJFQL-HQJQHLMTSA-N 1 1 193.294 1.986 10 0 ADAEMO CCC(CC)C[NH2+]C[C@@H](C)N 130470114 573592775 /nfs/dbraw/zinc/59/27/75/573592775.db2.gz BLQNEDQUDJUSBL-MRVPVSSYSA-N 1 1 158.289 1.359 10 0 ADAEMO C[C@@H]1C[C@@H](CCO)CC[N@H+]1C 144488534 573592787 /nfs/dbraw/zinc/59/27/87/573592787.db2.gz KNKRSHUAKMXBDO-RKDXNWHRSA-N 1 1 157.257 1.099 10 0 ADAEMO C/C=C\C[N@@H+](C)[C@@H](CC)C(=O)OC 308405380 573592813 /nfs/dbraw/zinc/59/28/13/573592813.db2.gz JJGBMHLLVSSYJH-PGBBXKAQSA-N 1 1 185.267 1.446 10 0 ADAEMO C/C=C\C[N@H+](C)[C@@H](CC)C(=O)OC 308405380 573592816 /nfs/dbraw/zinc/59/28/16/573592816.db2.gz JJGBMHLLVSSYJH-PGBBXKAQSA-N 1 1 185.267 1.446 10 0 ADAEMO CN[C@@H](CC[NH3+])c1ccccc1OC 259136826 573594028 /nfs/dbraw/zinc/59/40/28/573594028.db2.gz AZIWGQCDTVLJMJ-JTQLQIEISA-N 1 1 194.278 1.305 10 0 ADAEMO Cc1[nH]nc2c(C[NH3+])ccc(F)c12 259522092 573594057 /nfs/dbraw/zinc/59/40/57/573594057.db2.gz QMZXRBXXPIVQOE-UHFFFAOYSA-N 1 1 179.198 1.469 10 0 ADAEMO C[C@H](C[NH3+])C[N@@H+](C)CCc1ccc[nH]1 258814297 573594060 /nfs/dbraw/zinc/59/40/60/573594060.db2.gz SUVKEQIWNURALZ-SNVBAGLBSA-N 1 1 195.310 1.084 10 0 ADAEMO C[C@H](C[NH3+])CN(C)CCc1ccc[nH]1 258814297 573594068 /nfs/dbraw/zinc/59/40/68/573594068.db2.gz SUVKEQIWNURALZ-SNVBAGLBSA-N 1 1 195.310 1.084 10 0 ADAEMO CC1(C)CO[C@@](C)([C@@H]2CCC[NH2+]C2)N1 258813516 573594137 /nfs/dbraw/zinc/59/41/37/573594137.db2.gz YLPSLIJNNVCRKB-KOLCDFICSA-N 1 1 198.310 1.101 10 0 ADAEMO FC1(F)C[NH2+]C[C@H]1Oc1ccccc1 257835364 573594199 /nfs/dbraw/zinc/59/41/99/573594199.db2.gz AHRWFBBHCHJCCN-SECBINFHSA-N 1 1 199.200 1.673 10 0 ADAEMO Cc1n[nH]c2c1[C@@]1(CC[NH2+]C1)[C@@H](C)C2 107422458 573594203 /nfs/dbraw/zinc/59/42/03/573594203.db2.gz ASWVMIYDCYDWRK-WRWORJQWSA-N 1 1 191.278 1.141 10 0 ADAEMO C[C@@H](C[NH3+])C[N@@H+](C)CCc1ccc[nH]1 258814294 573594352 /nfs/dbraw/zinc/59/43/52/573594352.db2.gz SUVKEQIWNURALZ-JTQLQIEISA-N 1 1 195.310 1.084 10 0 ADAEMO C[C@@H](C[NH3+])CN(C)CCc1ccc[nH]1 258814294 573594358 /nfs/dbraw/zinc/59/43/58/573594358.db2.gz SUVKEQIWNURALZ-JTQLQIEISA-N 1 1 195.310 1.084 10 0 ADAEMO C[C@H](CN)[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700013 573594370 /nfs/dbraw/zinc/59/43/70/573594370.db2.gz PRKZCKZHESOPQP-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO C[C@H](CN)[N@H+]1CCC[C@H]2CCC[C@@H]21 83700013 573594374 /nfs/dbraw/zinc/59/43/74/573594374.db2.gz PRKZCKZHESOPQP-MXWKQRLJSA-N 1 1 182.311 1.598 10 0 ADAEMO CC[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@@H]1C 86730558 573594453 /nfs/dbraw/zinc/59/44/53/573594453.db2.gz HGKIKDQAUREUMJ-KKOKHZNYSA-N 1 1 196.338 1.763 10 0 ADAEMO CN1CC[N@@H+](C)C[C@@]1(C)c1cc[nH]c1 259137153 573594464 /nfs/dbraw/zinc/59/44/64/573594464.db2.gz SWDDYSFHAPKWHJ-NSHDSACASA-N 1 1 193.294 1.107 10 0 ADAEMO CN1CC[N@H+](C)[C@](C)(c2cc[nH]c2)C1 259137153 573594491 /nfs/dbraw/zinc/59/44/91/573594491.db2.gz SWDDYSFHAPKWHJ-NSHDSACASA-N 1 1 193.294 1.107 10 0 ADAEMO CN1CC[N@@H+](C)[C@](C)(c2cc[nH]c2)C1 259137153 573594494 /nfs/dbraw/zinc/59/44/94/573594494.db2.gz SWDDYSFHAPKWHJ-NSHDSACASA-N 1 1 193.294 1.107 10 0 ADAEMO C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@@H]1C 86730544 573594591 /nfs/dbraw/zinc/59/45/91/573594591.db2.gz ZLJRWNYWZZDAOB-DBIOUOCHSA-N 1 1 182.311 1.373 10 0 ADAEMO C[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[NH2+]C1 86730754 573594633 /nfs/dbraw/zinc/59/46/33/573594633.db2.gz OCQZWORXDKWFDR-UTUOFQBUSA-N 1 1 196.338 1.907 10 0 ADAEMO C[N@@H+](CCc1cc[nH]c1)C(C)(C)CO 258816172 573598121 /nfs/dbraw/zinc/59/81/21/573598121.db2.gz LDAFRPNQTRQLJM-UHFFFAOYSA-N 1 1 196.294 1.260 10 0 ADAEMO C[C@@H]1CCC[C@@]1(O)Cc1[nH+]ccn1C 86750375 573598216 /nfs/dbraw/zinc/59/82/16/573598216.db2.gz SLFSDFYLIAXFLC-MWLCHTKSSA-N 1 1 194.278 1.514 10 0 ADAEMO N[C@@H](C[C@@H]1CCC[NH2+]1)c1cc[nH]c1 259138531 573598293 /nfs/dbraw/zinc/59/82/93/573598293.db2.gz CRNBYZARPUKCRH-UWVGGRQHSA-N 1 1 179.267 1.157 10 0 ADAEMO C[C@H]1CC[C@@](O)(Cc2[nH+]ccn2C)C1 86750288 573598315 /nfs/dbraw/zinc/59/83/15/573598315.db2.gz PZRHDSSLVGSJTD-ONGXEEELSA-N 1 1 194.278 1.514 10 0 ADAEMO CC(C)[C@H](CO)C[C@H]1CC[N@@H+](C)C1 259523717 573598333 /nfs/dbraw/zinc/59/83/33/573598333.db2.gz VYXFVPZJPUEYIX-MNOVXSKESA-N 1 1 185.311 1.593 10 0 ADAEMO N[C@H](C[C@@H]1CCC[NH2+]1)c1cc[nH]c1 259138535 573598514 /nfs/dbraw/zinc/59/85/14/573598514.db2.gz CRNBYZARPUKCRH-VHSXEESVSA-N 1 1 179.267 1.157 10 0 ADAEMO CC(C)[C@@H](CO)C[C@H]1CC[N@@H+](C)C1 259523716 573598529 /nfs/dbraw/zinc/59/85/29/573598529.db2.gz VYXFVPZJPUEYIX-GHMZBOCLSA-N 1 1 185.311 1.593 10 0 ADAEMO CC[C@@H]1CC[N@@H+](C)C[C@@H]1C(=O)OC 257835678 573598567 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1 1 188.290 1.548 10 0 ADAEMO CC(C)(C)N1CCC[C@](F)(C[NH3+])C1 259525601 573601908 /nfs/dbraw/zinc/60/19/08/573601908.db2.gz ASLHHSLDBLEKJH-JTQLQIEISA-N 1 1 188.290 1.548 10 0 ADAEMO Cn1cc[nH+]c1C[C@H]1CCC[C@@H]1O 86753241 573601929 /nfs/dbraw/zinc/60/19/29/573601929.db2.gz ZLAWDESLKNZXNQ-BDAKNGLRSA-N 1 1 180.251 1.124 10 0 ADAEMO Cc1c[nH]c(C2CCC(O)CC2)[nH+]1 259124779 573601957 /nfs/dbraw/zinc/60/19/57/573601957.db2.gz QEZRNTPWFYOADU-UHFFFAOYSA-N 1 1 180.251 1.737 10 0 ADAEMO CC(C)(C)[N@H+]1CCC[C@@](F)(CN)C1 259525611 573601974 /nfs/dbraw/zinc/60/19/74/573601974.db2.gz ASLHHSLDBLEKJH-SNVBAGLBSA-N 1 1 188.290 1.548 10 0 ADAEMO CC(C)(C)N1CCC[C@@](F)(C[NH3+])C1 259525611 573601978 /nfs/dbraw/zinc/60/19/78/573601978.db2.gz ASLHHSLDBLEKJH-SNVBAGLBSA-N 1 1 188.290 1.548 10 0 ADAEMO C[C@@H]1CC[C@@](O)(Cc2[nH+]ccn2C)C1 86750286 573602035 /nfs/dbraw/zinc/60/20/35/573602035.db2.gz PZRHDSSLVGSJTD-KOLCDFICSA-N 1 1 194.278 1.514 10 0 ADAEMO Cn1cc[nH+]c1C[C@@H](O)c1ccco1 86749776 573602083 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186.375 1.533 10 0 ADAEMO C[Si](C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](N)C1 238446240 573602292 /nfs/dbraw/zinc/60/22/92/573602292.db2.gz KYGXVNVHXWHACO-HLTSFMKQSA-N 1 1 186.375 1.533 10 0 ADAEMO CCC(CC)CNc1cc(N)[nH+]cn1 130564521 573602337 /nfs/dbraw/zinc/60/23/37/573602337.db2.gz GTKFCAGPUWSDGA-UHFFFAOYSA-N 1 1 194.282 1.907 10 0 ADAEMO CCC(CC)CNc1cc(N)nc[nH+]1 130564521 573602343 /nfs/dbraw/zinc/60/23/43/573602343.db2.gz GTKFCAGPUWSDGA-UHFFFAOYSA-N 1 1 194.282 1.907 10 0 ADAEMO Cn1cc[nH+]c1C[C@H](O)c1ccco1 86749774 573602382 /nfs/dbraw/zinc/60/23/82/573602382.db2.gz VRZNPZWIINWUAO-QMMMGPOBSA-N 1 1 192.218 1.289 10 0 ADAEMO C[C@@H]1CCC[C@]1(O)Cc1[nH+]ccn1C 86750370 573602414 /nfs/dbraw/zinc/60/24/14/573602414.db2.gz SLFSDFYLIAXFLC-KOLCDFICSA-N 1 1 194.278 1.514 10 0 ADAEMO Cn1cc[nH+]c1CC1(O)CCCCC1 86749487 573602422 /nfs/dbraw/zinc/60/24/22/573602422.db2.gz WSWRLTWKJIRYOY-UHFFFAOYSA-N 1 1 194.278 1.658 10 0 ADAEMO CCn1cc[nH+]c1CC(C)(C)O 86749543 573602450 /nfs/dbraw/zinc/60/24/50/573602450.db2.gz UALVEFQGLUBUFF-UHFFFAOYSA-N 1 1 168.240 1.216 10 0 ADAEMO Cn1cc[nH+]c1CC1(O)CCCC1 86749531 573602518 /nfs/dbraw/zinc/60/25/18/573602518.db2.gz PTUBKHCTIMGJNX-UHFFFAOYSA-N 1 1 180.251 1.268 10 0 ADAEMO C[NH2+][C@H]1CC[N@H+](C2CC2)CC1(C)C 259124924 573606904 /nfs/dbraw/zinc/60/69/04/573606904.db2.gz CLNBLKGNYQZUNK-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO C[NH2+][C@H]1CCN(C2CC2)CC1(C)C 259124924 573606909 /nfs/dbraw/zinc/60/69/09/573606909.db2.gz CLNBLKGNYQZUNK-JTQLQIEISA-N 1 1 182.311 1.469 10 0 ADAEMO C[C@@H]1[C@@H](O)CC[C@H]1Cc1[nH+]ccn1C 86754627 573606912 /nfs/dbraw/zinc/60/69/12/573606912.db2.gz MBTAYXSPJMKOIW-GUBZILKMSA-N 1 1 194.278 1.370 10 0 ADAEMO C[C@@H]1CC[C@@]2(C)NCC[N@@H+]2C1 238447366 573607101 /nfs/dbraw/zinc/60/71/01/573607101.db2.gz HCUOOWTWUFAYOR-BDAKNGLRSA-N 1 1 154.257 1.038 10 0 ADAEMO C[C@@H]1CC[C@@]2(C)NCC[N@H+]2C1 238447366 573607103 /nfs/dbraw/zinc/60/71/03/573607103.db2.gz HCUOOWTWUFAYOR-BDAKNGLRSA-N 1 1 154.257 1.038 10 0 ADAEMO Cn1cc[nH+]c1C[C@H]1CCC[C@H]1O 86753246 573607133 /nfs/dbraw/zinc/60/71/33/573607133.db2.gz ZLAWDESLKNZXNQ-RKDXNWHRSA-N 1 1 180.251 1.124 10 0 ADAEMO C1=CC2=C3CC4=C([C@@H]34)[C@@H]2[NH+]=C1 96341688 573607326 /nfs/dbraw/zinc/60/73/26/573607326.db2.gz OCKIMODCXQMMBG-WCBMZHEXSA-N 1 1 141.173 1.636 10 0 ADAEMO CNCC(C)(C)[NH2+]C(C)(C)C 75543890 573609889 /nfs/dbraw/zinc/60/98/89/573609889.db2.gz HODUFERJZSRBHU-UHFFFAOYSA-N 1 1 158.289 1.373 10 0 ADAEMO C[C@H]1CC[C@@H]2CC(=O)C[N@H+]2C1 238447477 573610107 /nfs/dbraw/zinc/61/01/07/573610107.db2.gz OAINFUWCLDYLIA-JGVFFNPUSA-N 1 1 153.225 1.060 10 0 ADAEMO CNOCC[C@H]1CCC[N@H+]1C(C)C 258069476 573610205 /nfs/dbraw/zinc/61/02/05/573610205.db2.gz VUXXJHWEXSYPQV-SNVBAGLBSA-N 1 1 186.299 1.400 10 0 ADAEMO CC1(C)CC[C@@H](N)C(C)(C)[NH2+]1 142760229 573610209 /nfs/dbraw/zinc/61/02/09/573610209.db2.gz YGRYZPZBLXHLEH-SSDOTTSWSA-N 1 1 156.273 1.254 10 0 ADAEMO CCNC[C@@H]([NH2+]C)c1cccs1 259129378 573610329 /nfs/dbraw/zinc/61/03/29/573610329.db2.gz BOPWOVMXEOXDAM-MRVPVSSYSA-N 1 1 184.308 1.618 10 0 ADAEMO CC[C@H](CO)C[N@@H+](C)C1CCCC1 259125312 573610348 /nfs/dbraw/zinc/61/03/48/573610348.db2.gz YQQGITBDHVPLBO-JTQLQIEISA-N 1 1 185.311 1.879 10 0 ADAEMO Cc1ccc(C(F)F)c(N)[nH+]1 238447934 573610402 /nfs/dbraw/zinc/61/04/02/573610402.db2.gz RPIIQJDLSITYJD-UHFFFAOYSA-N 1 1 158.151 1.910 10 0 ADAEMO Cc1ccc2c(c1)NC(=[NH2+])CO2 75545380 573610414 /nfs/dbraw/zinc/61/04/14/573610414.db2.gz MIWVZQIIUCNGMR-UHFFFAOYSA-N 1 1 162.192 1.376 10 0 ADAEMO COc1cccc([C@H]([NH3+])C2(N)CC2)c1 259127922 573611780 /nfs/dbraw/zinc/61/17/80/573611780.db2.gz ASTBNLPRFJNPRW-JTQLQIEISA-N 1 1 192.262 1.186 10 0 ADAEMO CCC[C@H](N)[C@@H]1CCCC[NH2+]1 259528982 573611788 /nfs/dbraw/zinc/61/17/88/573611788.db2.gz WGOITRUPFSUCJD-IUCAKERBSA-N 1 1 156.273 1.256 10 0 ADAEMO C[C@@H]1OCC[C@H]1c1cnc(C[NH3+])o1 86762295 573611818 /nfs/dbraw/zinc/61/18/18/573611818.db2.gz VZGPLMFYCRPRAY-NKWVEPMBSA-N 1 1 182.223 1.026 10 0 ADAEMO CCNC[C@H]([NH2+]C)c1cccs1 259129382 573611113 /nfs/dbraw/zinc/61/11/13/573611113.db2.gz BOPWOVMXEOXDAM-QMMMGPOBSA-N 1 1 184.308 1.618 10 0 ADAEMO Cc1nc2cc([C@@H](C)[NH3+])ccc2[nH]1 82399004 573611118 /nfs/dbraw/zinc/61/11/18/573611118.db2.gz ABZMIWVPWPYGRD-ZCFIWIBFSA-N 1 1 175.235 1.891 10 0 ADAEMO C[C@@H]1OCC[C@@H]1c1cnc(C[NH3+])o1 86762298 573611226 /nfs/dbraw/zinc/61/12/26/573611226.db2.gz VZGPLMFYCRPRAY-BQBZGAKWSA-N 1 1 182.223 1.026 10 0 ADAEMO CC[N@@H+](C)CC1(C(=O)OC)CCC1 259125517 573611232 /nfs/dbraw/zinc/61/12/32/573611232.db2.gz YTGSIVKTPIMMOS-UHFFFAOYSA-N 1 1 185.267 1.281 10 0 ADAEMO CCC[C@H](N)[C@H]1CCCC[NH2+]1 259528981 573611341 /nfs/dbraw/zinc/61/13/41/573611341.db2.gz WGOITRUPFSUCJD-DTWKUNHWSA-N 1 1 156.273 1.256 10 0 ADAEMO C[C@H]([NH3+])C(F)(F)c1ccncc1 259127426 573611370 /nfs/dbraw/zinc/61/13/70/573611370.db2.gz LMIGSDIEDKLGFM-LURJTMIESA-N 1 1 172.178 1.521 10 0 ADAEMO COCc1ccc(C(=O)C[NH3+])c(F)c1 258067356 573611390 /nfs/dbraw/zinc/61/13/90/573611390.db2.gz LWXWEFIWPIEUGY-UHFFFAOYSA-N 1 1 197.209 1.114 10 0 ADAEMO C[C@@H]1CCn2c(c[nH+]c2CCO)C1 258067540 573611400 /nfs/dbraw/zinc/61/14/00/573611400.db2.gz DKKQREHZHOEZJM-MRVPVSSYSA-N 1 1 180.251 1.000 10 0 ADAEMO C[C@H]1OCC[C@H]1c1cnc(C[NH3+])o1 86762293 573611413 /nfs/dbraw/zinc/61/14/13/573611413.db2.gz VZGPLMFYCRPRAY-RNFRBKRXSA-N 1 1 182.223 1.026 10 0 ADAEMO CC[C@@H](CO)C[N@@H+](C)C1CCCC1 259125313 573611526 /nfs/dbraw/zinc/61/15/26/573611526.db2.gz YQQGITBDHVPLBO-SNVBAGLBSA-N 1 1 185.311 1.879 10 0 ADAEMO CC[N@H+]1CCCC[C@H]1CCONC 258069525 573611620 /nfs/dbraw/zinc/61/16/20/573611620.db2.gz VVSPYCBKPHKGIK-JTQLQIEISA-N 1 1 186.299 1.402 10 0 ADAEMO CCC[C@H]([NH2+]C)C1(CN)CCC1 259127416 573611637 /nfs/dbraw/zinc/61/16/37/573611637.db2.gz BMRSHUQTUYDFSB-VIFPVBQESA-N 1 1 170.300 1.504 10 0 ADAEMO C[C@H]1C[C@@H](C)C[C@@]2([NH2+]CCS2)C1=O 238449237 573611666 /nfs/dbraw/zinc/61/16/66/573611666.db2.gz OMVVZMWPPWNIHA-WEDXCCLWSA-N 1 1 199.319 1.654 10 0 ADAEMO CNC(=[NH2+])c1ccc2nc(C)[nH]c2c1 259129512 573611691 /nfs/dbraw/zinc/61/16/91/573611691.db2.gz JDACAXRJFYIAOD-UHFFFAOYSA-N 1 1 188.234 1.416 10 0 ADAEMO CC(C)[C@@H]1NC[C@@H]2CCCC[N@@H+]21 142798437 573622951 /nfs/dbraw/zinc/62/29/51/573622951.db2.gz UTBZVIWKTRYIMO-VHSXEESVSA-N 1 1 168.284 1.426 10 0 ADAEMO CC(C)[C@@H]1NC[C@@H]2CCCC[N@H+]21 142798437 573622957 /nfs/dbraw/zinc/62/29/57/573622957.db2.gz UTBZVIWKTRYIMO-VHSXEESVSA-N 1 1 168.284 1.426 10 0 ADAEMO C[C@@]1(CO)CCC[N@H+](C2CC2)C1 107457373 573622295 /nfs/dbraw/zinc/62/22/95/573622295.db2.gz CROCSAMURRZOAW-SNVBAGLBSA-N 1 1 169.268 1.243 10 0 ADAEMO C[C@@]1(CO)CC[N@H+](C2CCCC2)C1 107460515 573622338 /nfs/dbraw/zinc/62/23/38/573622338.db2.gz SNXHKEMDVFLQOX-LLVKDONJSA-N 1 1 183.295 1.633 10 0 ADAEMO CC(C)(C)[C@H]1NC[C@H]2CCCC[N@H+]12 142800701 573622480 /nfs/dbraw/zinc/62/24/80/573622480.db2.gz PJFNIXLCYJAWEU-ZJUUUORDSA-N 1 1 182.311 1.816 10 0 ADAEMO CC(C)(C)[C@H]1NC[C@H]2CCCC[N@@H+]12 142800701 573622484 /nfs/dbraw/zinc/62/24/84/573622484.db2.gz PJFNIXLCYJAWEU-ZJUUUORDSA-N 1 1 182.311 1.816 10 0 ADAEMO C[C@H]1[C@@H](c2ccccc2)NCC[N@@H+]1C 107462275 573622589 /nfs/dbraw/zinc/62/25/89/573622589.db2.gz WYMVCYMGIWEEFN-JQWIXIFHSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@H]1[C@@H](c2ccccc2)NCC[N@H+]1C 107462275 573622593 /nfs/dbraw/zinc/62/25/93/573622593.db2.gz WYMVCYMGIWEEFN-JQWIXIFHSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@@H](CCN(C)C)[NH2+][C@@H]1[C@H]2CCC[C@H]21 308659453 573622616 /nfs/dbraw/zinc/62/26/16/573622616.db2.gz PLDSEVKMIBWPLV-NNYUYHANSA-N 1 1 196.338 1.715 10 0 ADAEMO C[N@@H+]1CCN[C@@H]2Cc3ccccc3[C@@H]21 107461965 573622621 /nfs/dbraw/zinc/62/26/21/573622621.db2.gz FPZUOKSUDYKYBA-NEPJUHHUSA-N 1 1 188.274 1.187 10 0 ADAEMO C[N@H+]1CCN[C@@H]2Cc3ccccc3[C@@H]21 107461965 573622630 /nfs/dbraw/zinc/62/26/30/573622630.db2.gz FPZUOKSUDYKYBA-NEPJUHHUSA-N 1 1 188.274 1.187 10 0 ADAEMO C[C@@H](N)[C@@H](C)[NH2+]CC(C1CC1)C1CC1 308643939 573622680 /nfs/dbraw/zinc/62/26/80/573622680.db2.gz FVIGBCJILFWPOY-RKDXNWHRSA-N 1 1 196.338 1.748 10 0 ADAEMO C[C@@H]1[C@@H](c2ccccc2)NCC[N@@H+]1C 107462273 573622794 /nfs/dbraw/zinc/62/27/94/573622794.db2.gz WYMVCYMGIWEEFN-PWSUYJOCSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@@H]1[C@@H](c2ccccc2)NCC[N@H+]1C 107462273 573622795 /nfs/dbraw/zinc/62/27/95/573622795.db2.gz WYMVCYMGIWEEFN-PWSUYJOCSA-N 1 1 190.290 1.651 10 0 ADAEMO C[C@H](C[NH2+][C@H](C)CCN(C)C)C1CC1 308643993 573622809 /nfs/dbraw/zinc/62/28/09/573622809.db2.gz FYKNFJUNJPPGFK-GHMZBOCLSA-N 1 1 198.354 1.962 10 0 ADAEMO Cc1cnc2[nH]c(C[NH+](C)C)nc2c1 86796068 573622838 /nfs/dbraw/zinc/62/28/38/573622838.db2.gz JKHSDIDTVNILTQ-UHFFFAOYSA-N 1 1 190.250 1.328 10 0 ADAEMO CC1(C)C(=O)CCC[N@@H+]1C1CC1 259534847 573628881 /nfs/dbraw/zinc/62/88/81/573628881.db2.gz WGQNWNXCZPBXQF-UHFFFAOYSA-N 1 1 167.252 1.592 10 0 ADAEMO CC1(C)C(=O)CCC[N@H+]1C1CC1 259534847 573628887 /nfs/dbraw/zinc/62/88/87/573628887.db2.gz WGQNWNXCZPBXQF-UHFFFAOYSA-N 1 1 167.252 1.592 10 0 ADAEMO C[C@H]1CC[C@@H](c2noc(C[NH3+])n2)C1 83781285 573628963 /nfs/dbraw/zinc/62/89/63/573628963.db2.gz FDMCJAHWVBDPJO-NKWVEPMBSA-N 1 1 181.239 1.432 10 0 ADAEMO C[C@@H]1CC[C@H](c2noc(C[NH3+])n2)C1 83781279 573629012 /nfs/dbraw/zinc/62/90/12/573629012.db2.gz FDMCJAHWVBDPJO-RQJHMYQMSA-N 1 1 181.239 1.432 10 0 ADAEMO CC[C@](C)(N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86810715 573629190 /nfs/dbraw/zinc/62/91/90/573629190.db2.gz NSVNRHBLOVIOFK-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@](C)(N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86810715 573629192 /nfs/dbraw/zinc/62/91/92/573629192.db2.gz NSVNRHBLOVIOFK-AXFHLTTASA-N 1 1 184.327 1.702 10 0 ADAEMO CC[C@@](C)(CO)CCc1[nH+]ccn1C 126684852 573629268 /nfs/dbraw/zinc/62/92/68/573629268.db2.gz ZALVLWAWMQXVMH-LLVKDONJSA-N 1 1 196.294 1.761 10 0 ADAEMO CC[C@](C)([NH3+])CN(C)C(C)C 86808841 573629387 /nfs/dbraw/zinc/62/93/87/573629387.db2.gz UFFQOPJZCAXJNU-VIFPVBQESA-N 1 1 158.289 1.454 10 0 ADAEMO C[C@H]1C[NH2+][C@@](C)(c2ccccn2)O1 258824931 573629401 /nfs/dbraw/zinc/62/94/01/573629401.db2.gz YWEWHULAJOGBFP-WCBMZHEXSA-N 1 1 178.235 1.263 10 0 ADAEMO CC[C@](C)(N)C[NH+]1C[C@@H](C)[C@H](C)C1 86810722 573629408 /nfs/dbraw/zinc/62/94/08/573629408.db2.gz NSVNRHBLOVIOFK-MXWKQRLJSA-N 1 1 184.327 1.702 10 0 ADAEMO C[C@H]1CC[C@H](c2noc(C[NH3+])n2)C1 83781281 573629445 /nfs/dbraw/zinc/62/94/45/573629445.db2.gz FDMCJAHWVBDPJO-BQBZGAKWSA-N 1 1 181.239 1.432 10 0 ADAEMO Cc1cccc2c1C[N@@H+](C)C2 148196665 573629504 /nfs/dbraw/zinc/62/95/04/573629504.db2.gz KSBJIQAPBZOPDL-UHFFFAOYSA-N 1 1 147.221 1.940 10 0 ADAEMO C[N@H+]1CCCC[C@@H]1C/C=C\CO 258073639 573632198 /nfs/dbraw/zinc/63/21/98/573632198.db2.gz FMLSUWXIOPVBNW-TZGMSPROSA-N 1 1 169.268 1.409 10 0 ADAEMO CC[C@@](C)(N)C[N@H+]1CCCC1(C)C 86810340 573632208 /nfs/dbraw/zinc/63/22/08/573632208.db2.gz GPAWBYWKDANDKU-LLVKDONJSA-N 1 1 184.327 1.988 10 0 ADAEMO CCc1oc(C[NH3+])nc1[C@H]1CCCO1 258074871 573632237 /nfs/dbraw/zinc/63/22/37/573632237.db2.gz LTCJQHSWZINEJA-MRVPVSSYSA-N 1 1 196.250 1.547 10 0 ADAEMO CC[C@@](C)([NH3+])CN1CCCCC1 86808884 573632259 /nfs/dbraw/zinc/63/22/59/573632259.db2.gz NADHDHYLRGRHRN-SNVBAGLBSA-N 1 1 170.300 1.600 10 0 ADAEMO C[C@H](F)C[C@@H]1CC[N@@H+](C)C[C@H]1CO 259538332 573632305 /nfs/dbraw/zinc/63/23/05/573632305.db2.gz BOBNSVKWWPMUJC-GUBZILKMSA-N 1 1 189.274 1.295 10 0 ADAEMO CC[C@](C)(N)C[N@@H+]1CC[C@H](C)C1 86809385 573632357 /nfs/dbraw/zinc/63/23/57/573632357.db2.gz SHRBYKFFMHEAIL-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@](C)(N)C[N@H+]1CC[C@H](C)C1 86809385 573632363 /nfs/dbraw/zinc/63/23/63/573632363.db2.gz SHRBYKFFMHEAIL-UWVGGRQHSA-N 1 1 170.300 1.456 10 0 ADAEMO C[N@H+]1CCC[C@H](C/C=C\CCO)C1 258073569 573632390 /nfs/dbraw/zinc/63/23/90/573632390.db2.gz FLCUBTLLHCMXEC-QUCGXOGASA-N 1 1 183.295 1.657 10 0 ADAEMO C[C@@H](CC(F)F)C[N@@H+](C)[C@@H](C)CN 688732575 573632402 /nfs/dbraw/zinc/63/24/02/573632402.db2.gz ZFFPVOASROUSDJ-YUMQZZPRSA-N 1 1 194.269 1.557 10 0 ADAEMO C[C@@H](CC(F)F)CN(C)[C@@H](C)C[NH3+] 688732575 573632408 /nfs/dbraw/zinc/63/24/08/573632408.db2.gz ZFFPVOASROUSDJ-YUMQZZPRSA-N 1 1 194.269 1.557 10 0 ADAEMO CCC[C@@H](C)[N@H+]1CCC[C@@H]1C(N)=O 393544027 573632431 /nfs/dbraw/zinc/63/24/31/573632431.db2.gz AOCXOAATGLGVPK-RKDXNWHRSA-N 1 1 184.283 1.125 10 0 ADAEMO CC[C@](C)(N)C[NH+]1CCCC1 86808722 573632503 /nfs/dbraw/zinc/63/25/03/573632503.db2.gz CKBGTEHZFQBCMW-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO CC[C@@](C)([NH3+])CN1CCC(C)CC1 86808720 573632522 /nfs/dbraw/zinc/63/25/22/573632522.db2.gz KVOOCVFQHDYWRZ-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@](C)(N)C[NH+]1CCC(C)CC1 86808720 573632528 /nfs/dbraw/zinc/63/25/28/573632528.db2.gz KVOOCVFQHDYWRZ-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCc1c[nH]c([C@H]2CSCC[NH2+]2)n1 257835049 573632560 /nfs/dbraw/zinc/63/25/60/573632560.db2.gz KNEYIJGBZPKWJR-MRVPVSSYSA-N 1 1 197.307 1.350 10 0 ADAEMO CC[NH2+][C@@H](C)c1nnc([C@@H]2C[C@@H]2C)o1 50618839 573632644 /nfs/dbraw/zinc/63/26/44/573632644.db2.gz RVWMQTSDLADIFO-BIIVOSGPSA-N 1 1 195.266 1.864 10 0 ADAEMO CC[C@](C)(N)C[NH2+]C1CCC1 86810161 573632649 /nfs/dbraw/zinc/63/26/49/573632649.db2.gz VXWHFXHBDHFSGU-VIFPVBQESA-N 1 1 156.273 1.256 10 0 ADAEMO CC/C=C\CC[NH+]1CCNCC1 78522385 573632650 /nfs/dbraw/zinc/63/26/50/573632650.db2.gz WUIFXNHFUFQLHJ-ARJAWSKDSA-N 1 1 168.284 1.248 10 0 ADAEMO C[NH2+][C@@H](C)c1nnc(CCC(C)C)o1 50618518 573632848 /nfs/dbraw/zinc/63/28/48/573632848.db2.gz AVNUXXKIWOARFK-QMMMGPOBSA-N 1 1 197.282 1.939 10 0 ADAEMO CCC(N)(CC)C[NH2+][C@@H]1C[C@H]1C 86814715 573632857 /nfs/dbraw/zinc/63/28/57/573632857.db2.gz JZTKYJKHOQPISS-RKDXNWHRSA-N 1 1 170.300 1.502 10 0 ADAEMO CC[C@@H](C)C[NH2+]C[C@@](C)(N)CC 86810200 573632904 /nfs/dbraw/zinc/63/29/04/573632904.db2.gz DUKUOEGNXNPCDZ-ZJUUUORDSA-N 1 1 172.316 1.750 10 0 ADAEMO C[N@@H+]1CC[C@@H](C2CCCCC2)[C@H]1C[NH3+] 257845727 573638000 /nfs/dbraw/zinc/63/80/00/573638000.db2.gz NMOOOQPGUKECRZ-NWDGAFQWSA-N 1 1 196.338 1.846 10 0 ADAEMO CN1CC[C@@H](C2CCCCC2)[C@H]1C[NH3+] 257845727 573638011 /nfs/dbraw/zinc/63/80/11/573638011.db2.gz NMOOOQPGUKECRZ-NWDGAFQWSA-N 1 1 196.338 1.846 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/nfs/dbraw/zinc/78/20/07/573782007.db2.gz XXOUDYAYRXCZNR-UHFFFAOYSA-N 1 1 183.295 1.943 10 0 ADAEMO CC1=CN(C)C=C[N@@H+]1C 100226970 573782225 /nfs/dbraw/zinc/78/22/25/573782225.db2.gz SXCLJEUBBROISF-UHFFFAOYSA-N 1 1 124.187 1.196 10 0 ADAEMO CC1=CN(C)C=C[N@H+]1C 100226970 573782232 /nfs/dbraw/zinc/78/22/32/573782232.db2.gz SXCLJEUBBROISF-UHFFFAOYSA-N 1 1 124.187 1.196 10 0 ADAEMO CC[C@H](CC1CC1)[NH2+][C@H]1CCOC1=O 308739142 573782261 /nfs/dbraw/zinc/78/22/61/573782261.db2.gz NMAYSYCOKXLCMM-ZJUUUORDSA-N 1 1 197.278 1.470 10 0 ADAEMO C1=CN2CCC[NH2+][C@@H]2c2ccccc21 238111410 573782276 /nfs/dbraw/zinc/78/22/76/573782276.db2.gz BXSOAEABPWYYPK-LBPRGKRZSA-N 1 1 186.258 1.965 10 0 ADAEMO CCC[C@@H](CN)[N@@H+](C)CCC1CC1 308431415 573782335 /nfs/dbraw/zinc/78/23/35/573782335.db2.gz ZUJYPWITNDJEBO-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[C@@H](C[NH3+])N(C)CCC1CC1 308431415 573782342 /nfs/dbraw/zinc/78/23/42/573782342.db2.gz ZUJYPWITNDJEBO-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CCCC[N@@H+](CC(N)=O)C1CCC1 308436980 573782441 /nfs/dbraw/zinc/78/24/41/573782441.db2.gz XCJMYCRRFIXSSG-UHFFFAOYSA-N 1 1 184.283 1.126 10 0 ADAEMO COC1CC([N@@H+](C)CCC(C)=O)C1 308432466 573782487 /nfs/dbraw/zinc/78/24/87/573782487.db2.gz ULFMQMSXRGOQOW-UHFFFAOYSA-N 1 1 185.267 1.075 10 0 ADAEMO C[S@](=[NH2+])c1ccc(O)cc1 238503032 573782511 /nfs/dbraw/zinc/78/25/11/573782511.db2.gz LONBWWGMGZKSCG-JTQLQIEISA-N 1 1 155.222 1.762 10 0 ADAEMO CC(=O)C(F)(F)C[C@H]1CCC[N@@H+]1C 257877229 573782634 /nfs/dbraw/zinc/78/26/34/573782634.db2.gz UTDNTSRGNXHGHR-MRVPVSSYSA-N 1 1 191.221 1.695 10 0 ADAEMO O=C1CC[N@H+]2CCC[C@H]2C1 100229276 573782641 /nfs/dbraw/zinc/78/26/41/573782641.db2.gz FCWHHMNOPCFAJN-ZETCQYMHSA-N 1 1 139.198 1.296 10 0 ADAEMO C[C@@]1(c2ccccn2)[NH2+]CCS1 238504238 573784535 /nfs/dbraw/zinc/78/45/35/573784535.db2.gz VNABFZNDBJZNIG-SECBINFHSA-N 1 1 180.276 1.591 10 0 ADAEMO Cc1nc(C[NH2+][C@H]2C[C@H]2C2CC2)c[nH]1 308737904 573783978 /nfs/dbraw/zinc/78/39/78/573783978.db2.gz MPBKBCLCEZADQW-QWRGUYRKSA-N 1 1 191.278 1.606 10 0 ADAEMO CC[N@H+]1CCCCC[C@H]1CN 125090133 573784099 /nfs/dbraw/zinc/78/40/99/573784099.db2.gz FHDZKULYVQNSGD-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO CCN1CCCCC[C@H]1C[NH3+] 125090133 573784103 /nfs/dbraw/zinc/78/41/03/573784103.db2.gz FHDZKULYVQNSGD-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO C[N@H+]1CC[C@@](CO)(c2cccs2)C1 258947144 573784183 /nfs/dbraw/zinc/78/41/83/573784183.db2.gz YRQCEPYKLZNGSX-SNVBAGLBSA-N 1 1 197.303 1.314 10 0 ADAEMO CO[C@@H]([NH3+])c1cc(F)ccc1F 259186656 573784227 /nfs/dbraw/zinc/78/42/27/573784227.db2.gz CXOCFGGSMSOBQF-MRVPVSSYSA-N 1 1 173.162 1.569 10 0 ADAEMO CCCC[N@H+]1CCC(C)(C)[C@@H](N)C1 258947007 573784436 /nfs/dbraw/zinc/78/44/36/573784436.db2.gz YPIOVRYFKJDWFU-JTQLQIEISA-N 1 1 184.327 1.846 10 0 ADAEMO C1C[C@@H]2C[NH2+]C[C@H]3CCCN(C1)C23 238114570 573787088 /nfs/dbraw/zinc/78/70/88/573787088.db2.gz JZFBFUZYCUSECW-NXEZZACHSA-N 1 1 180.295 1.080 10 0 ADAEMO C[N@@H+](C1CCC1)[C@](C)(CN)C1CC1 127205789 573787128 /nfs/dbraw/zinc/78/71/28/573787128.db2.gz BBXNVOZSVGUBEU-LLVKDONJSA-N 1 1 182.311 1.598 10 0 ADAEMO COc1cccc(C[N@H+](C)CO)c1 258943770 573787172 /nfs/dbraw/zinc/78/71/72/573787172.db2.gz QMGRSDZABJULMH-UHFFFAOYSA-N 1 1 181.235 1.077 10 0 ADAEMO COc1cccc(C[N@@H+](C)CO)c1 258943770 573787177 /nfs/dbraw/zinc/78/71/77/573787177.db2.gz QMGRSDZABJULMH-UHFFFAOYSA-N 1 1 181.235 1.077 10 0 ADAEMO CC[C@H](C)[N@@H+](CC)CC(C)(C)N 40925900 573787273 /nfs/dbraw/zinc/78/72/73/573787273.db2.gz CVLYVXKJFBGZAJ-VIFPVBQESA-N 1 1 172.316 1.844 10 0 ADAEMO CC[C@H](C)N(CC)CC(C)(C)[NH3+] 40925900 573787277 /nfs/dbraw/zinc/78/72/77/573787277.db2.gz CVLYVXKJFBGZAJ-VIFPVBQESA-N 1 1 172.316 1.844 10 0 ADAEMO C[N@H+](C1CCC1)[C@H](CN)C(C)(C)C 127173371 573787286 /nfs/dbraw/zinc/78/72/86/573787286.db2.gz XJMXHNZFGZUQRR-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO CN(C1CCC1)[C@H](C[NH3+])C(C)(C)C 127173371 573787292 /nfs/dbraw/zinc/78/72/92/573787292.db2.gz XJMXHNZFGZUQRR-SNVBAGLBSA-N 1 1 184.327 1.844 10 0 ADAEMO Cc1nc2cc([C@@H]([NH3+])CN)ccc2o1 259186007 573787345 /nfs/dbraw/zinc/78/73/45/573787345.db2.gz XONZTILMRYRZOL-QMMMGPOBSA-N 1 1 191.234 1.095 10 0 ADAEMO C[N@@H+](Cc1cccs1)[C@@H]1C[C@H]1CO 308432891 573787495 /nfs/dbraw/zinc/78/74/95/573787495.db2.gz UPHFKMUIENWIHO-WCBMZHEXSA-N 1 1 197.303 1.561 10 0 ADAEMO CCC(CC)[N@@H+](C)CC(C)(C)N 40925973 573787553 /nfs/dbraw/zinc/78/75/53/573787553.db2.gz CIPACJZMHQEOST-UHFFFAOYSA-N 1 1 172.316 1.844 10 0 ADAEMO CCC(CC)N(C)CC(C)(C)[NH3+] 40925973 573787557 /nfs/dbraw/zinc/78/75/57/573787557.db2.gz CIPACJZMHQEOST-UHFFFAOYSA-N 1 1 172.316 1.844 10 0 ADAEMO CC[C@@H](C(=O)OC)[N@H+](C)CCCF 308433529 573787582 /nfs/dbraw/zinc/78/75/82/573787582.db2.gz UZFJWRIDFAXPGX-QMMMGPOBSA-N 1 1 191.246 1.229 10 0 ADAEMO CC[C@@H](C(=O)OC)[N@@H+](C)CCCF 308433529 573787589 /nfs/dbraw/zinc/78/75/89/573787589.db2.gz UZFJWRIDFAXPGX-QMMMGPOBSA-N 1 1 191.246 1.229 10 0 ADAEMO CC[N@@H+]1CC(=O)CCC1(C)C 258944724 573794159 /nfs/dbraw/zinc/79/41/59/573794159.db2.gz YMKLRZWIBJJFQU-UHFFFAOYSA-N 1 1 155.241 1.450 10 0 ADAEMO CC[N@H+]1CC(=O)CCC1(C)C 258944724 573794163 /nfs/dbraw/zinc/79/41/63/573794163.db2.gz YMKLRZWIBJJFQU-UHFFFAOYSA-N 1 1 155.241 1.450 10 0 ADAEMO C[C@](N)(C[NH3+])c1ccc2c(c1)CCC2 258945279 573794175 /nfs/dbraw/zinc/79/41/75/573794175.db2.gz AJWYRJGVXCMMOX-LBPRGKRZSA-N 1 1 190.290 1.308 10 0 ADAEMO NN[C@H]([NH3+])c1cccc2ccccc12 259188902 573794251 /nfs/dbraw/zinc/79/42/51/573794251.db2.gz CZBKCGOSFGRKCW-NSHDSACASA-N 1 1 187.246 1.260 10 0 ADAEMO C1CC[N@H+]2[C@H](C1)CCNC[C@H]2C1CC1 238104300 573794262 /nfs/dbraw/zinc/79/42/62/573794262.db2.gz FUKCUZNARNCQOY-NEPJUHHUSA-N 1 1 194.322 1.613 10 0 ADAEMO C1CC[N@@H+]2[C@H](C1)CCNC[C@H]2C1CC1 238104300 573794267 /nfs/dbraw/zinc/79/42/67/573794267.db2.gz FUKCUZNARNCQOY-NEPJUHHUSA-N 1 1 194.322 1.613 10 0 ADAEMO CC[C@@](CN)(C1CC1)[N@@H+](C)C1CCC1 127210301 573794293 /nfs/dbraw/zinc/79/42/93/573794293.db2.gz INKZCQMLOUBMFN-GFCCVEGCSA-N 1 1 196.338 1.988 10 0 ADAEMO Cc1cnc([C@@H]2C[N@H+](C)CCN2)s1 76187822 573794295 /nfs/dbraw/zinc/79/42/95/573794295.db2.gz NFUXKRUFMWHVTE-QMMMGPOBSA-N 1 1 197.307 1.028 10 0 ADAEMO Cc1cnc([C@@H]2C[N@@H+](C)CCN2)s1 76187822 573794300 /nfs/dbraw/zinc/79/43/00/573794300.db2.gz NFUXKRUFMWHVTE-QMMMGPOBSA-N 1 1 197.307 1.028 10 0 ADAEMO CC[C@H](F)C[N@@H+](C)CCCCCO 308442650 573794372 /nfs/dbraw/zinc/79/43/72/573794372.db2.gz ZPHYKJYZAGOOEI-JTQLQIEISA-N 1 1 191.290 1.829 10 0 ADAEMO C1CC[N@H+]2[C@@H](C1)CCNC[C@H]2C1CC1 238103973 573794525 /nfs/dbraw/zinc/79/45/25/573794525.db2.gz FUKCUZNARNCQOY-RYUDHWBXSA-N 1 1 194.322 1.613 10 0 ADAEMO C1CC[N@@H+]2[C@@H](C1)CCNC[C@H]2C1CC1 238103973 573794532 /nfs/dbraw/zinc/79/45/32/573794532.db2.gz FUKCUZNARNCQOY-RYUDHWBXSA-N 1 1 194.322 1.613 10 0 ADAEMO Cc1cn[nH]c1CNC(=[NH2+])C1CC1 716781153 573794656 /nfs/dbraw/zinc/79/46/56/573794656.db2.gz QDHNQRYGISGHNO-UHFFFAOYSA-N 1 1 178.239 1.195 10 0 ADAEMO CC(C)CCCOC(=O)[C@H](C)[NH3+] 40952228 573794714 /nfs/dbraw/zinc/79/47/14/573794714.db2.gz GIMSZQAKXAZQBY-QMMMGPOBSA-N 1 1 173.256 1.313 10 0 ADAEMO CCC1CC([NH2+]C[C@H]2CCN(C)C2)C1 308731308 573794739 /nfs/dbraw/zinc/79/47/39/573794739.db2.gz JOWIWQMXAKIASH-MOENNCHZSA-N 1 1 196.338 1.716 10 0 ADAEMO Cc1cnc([C@H]2C[N@H+](C)CCN2)s1 76187823 573794769 /nfs/dbraw/zinc/79/47/69/573794769.db2.gz NFUXKRUFMWHVTE-MRVPVSSYSA-N 1 1 197.307 1.028 10 0 ADAEMO Cc1cnc([C@H]2C[N@@H+](C)CCN2)s1 76187823 573794773 /nfs/dbraw/zinc/79/47/73/573794773.db2.gz NFUXKRUFMWHVTE-MRVPVSSYSA-N 1 1 197.307 1.028 10 0 ADAEMO C[N@@H+](Cc1cc(N)no1)C1CCC1 259189183 573794841 /nfs/dbraw/zinc/79/48/41/573794841.db2.gz JCXXCNDXRLYXAG-UHFFFAOYSA-N 1 1 181.239 1.241 10 0 ADAEMO Cn1c[nH+]c(-c2ccc(N)cc2)c1N 238521424 573794916 /nfs/dbraw/zinc/79/49/16/573794916.db2.gz IQWAFYVKQPTVEY-UHFFFAOYSA-N 1 1 188.234 1.252 10 0 ADAEMO C[N@H+](C1CCC1)[C@@H](CN)C1CCCC1 127208431 573794933 /nfs/dbraw/zinc/79/49/33/573794933.db2.gz AAMWOJFROHYQAB-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO CC[N@@H+](CCOC)Cc1ccc[nH]1 393590445 573794985 /nfs/dbraw/zinc/79/49/85/573794985.db2.gz NDBHKHMGPGOWDY-UHFFFAOYSA-N 1 1 182.267 1.483 10 0 ADAEMO CC[C@](CN)(C1CC1)[N@@H+](C)C1CCC1 127210547 573795143 /nfs/dbraw/zinc/79/51/43/573795143.db2.gz INKZCQMLOUBMFN-LBPRGKRZSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@](N)(C[NH3+])c1ccc2c(c1)CCC2 258945275 573795260 /nfs/dbraw/zinc/79/52/60/573795260.db2.gz AJWYRJGVXCMMOX-GFCCVEGCSA-N 1 1 190.290 1.308 10 0 ADAEMO C1Cc2[nH]nc(C[C@@H]3CCC[NH2+]3)c2C1 107233283 573795320 /nfs/dbraw/zinc/79/53/20/573795320.db2.gz DXZDYKZNKPXHGP-QMMMGPOBSA-N 1 1 191.278 1.193 10 0 ADAEMO C1CCCC2(CCC1)C[NH2+]CCN2 238103272 573795516 /nfs/dbraw/zinc/79/55/16/573795516.db2.gz XGPCMEWJLCKYTI-UHFFFAOYSA-N 1 1 182.311 1.662 10 0 ADAEMO CCCCCC[C@H](C)OC(=O)C[NH3+] 40952549 573795531 /nfs/dbraw/zinc/79/55/31/573795531.db2.gz AQPBALXWUHHVFE-VIFPVBQESA-N 1 1 187.283 1.847 10 0 ADAEMO CCCCCCOC(=O)[C@H](C)[NH3+] 40952835 573795609 /nfs/dbraw/zinc/79/56/09/573795609.db2.gz MLTVWQGWBXYHFY-QMMMGPOBSA-N 1 1 173.256 1.457 10 0 ADAEMO CNC[NH2+]CCc1ccc(C)cc1C 258945555 573795642 /nfs/dbraw/zinc/79/56/42/573795642.db2.gz UBQJWGKISSOWNK-UHFFFAOYSA-N 1 1 192.306 1.612 10 0 ADAEMO C[C@H]1CCC[C@@H]([N@@H+](C)C2(CN)CC2)C1 235650963 573795662 /nfs/dbraw/zinc/79/56/62/573795662.db2.gz XCJYZWMJAZFHND-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@H]1CCC[C@@H](N(C)C2(C[NH3+])CC2)C1 235650963 573795669 /nfs/dbraw/zinc/79/56/69/573795669.db2.gz XCJYZWMJAZFHND-WDEREUQCSA-N 1 1 196.338 1.988 10 0 ADAEMO CC(C)CCCOC(=O)[C@@H](C)[NH3+] 40952226 573795699 /nfs/dbraw/zinc/79/56/99/573795699.db2.gz GIMSZQAKXAZQBY-MRVPVSSYSA-N 1 1 173.256 1.313 10 0 ADAEMO CCC[C@H](c1nnc(C)o1)[NH+](C)C 308440765 573795801 /nfs/dbraw/zinc/79/58/01/573795801.db2.gz YUQXEVGOJSGUEX-MRVPVSSYSA-N 1 1 183.255 1.781 10 0 ADAEMO CC(C)(C)[C@H]1C[NH2+]C2(CCCC2)N1 238102811 573795810 /nfs/dbraw/zinc/79/58/10/573795810.db2.gz YZHRJPCOONVRDN-SECBINFHSA-N 1 1 182.311 1.864 10 0 ADAEMO Cc1cc(C2CC[NH2+]CC2)cnc1N 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/nfs/dbraw/zinc/81/38/73/573813873.db2.gz RVBZASKQNONLJA-VIFPVBQESA-N 1 1 199.294 1.527 10 0 ADAEMO CC(C)C[NH2+]C[C@@]1(C)CCCCN1 127357830 573813886 /nfs/dbraw/zinc/81/38/86/573813886.db2.gz VLPLGLPMNYTFTR-LLVKDONJSA-N 1 1 184.327 1.764 10 0 ADAEMO CC[N@H+]1C[C@H](CO)CC1(C)C 259199457 573813946 /nfs/dbraw/zinc/81/39/46/573813946.db2.gz BXNNYNQHQZVAGV-MRVPVSSYSA-N 1 1 157.257 1.099 10 0 ADAEMO Cc1nc(N)c2c([nH+]1)NCCCC2 238522643 573813976 /nfs/dbraw/zinc/81/39/76/573813976.db2.gz GKPUXGJIYMMGBI-UHFFFAOYSA-N 1 1 178.239 1.115 10 0 ADAEMO CNc1[nH]c(CC(C)C)c(C)[nH+]1 258962723 573814030 /nfs/dbraw/zinc/81/40/30/573814030.db2.gz ZZHBQCRSAFMAAH-UHFFFAOYSA-N 1 1 167.256 1.958 10 0 ADAEMO CC[C@@H](COC)[NH2+][C@@H](C)c1ccon1 308744634 573814094 /nfs/dbraw/zinc/81/40/94/573814094.db2.gz QTMCNBCHVABVDS-IUCAKERBSA-N 1 1 198.266 1.750 10 0 ADAEMO Cc1ccc([C@@H]2C[NH2+]C[C@H](N)C2)cc1 238522330 573814112 /nfs/dbraw/zinc/81/41/12/573814112.db2.gz NYHITPPRCNISAQ-NWDGAFQWSA-N 1 1 190.290 1.399 10 0 ADAEMO C[C@@H](N)c1cnc([C@@H]2CCC[NH2+]C2)o1 258139453 573814165 /nfs/dbraw/zinc/81/41/65/573814165.db2.gz PSJNTRCRFOUGQX-HTQZYQBOSA-N 1 1 195.266 1.161 10 0 ADAEMO Cc1ccc([C@@H]2C[NH2+]C[C@@H](N)C2)cc1 238521774 573814211 /nfs/dbraw/zinc/81/42/11/573814211.db2.gz NYHITPPRCNISAQ-RYUDHWBXSA-N 1 1 190.290 1.399 10 0 ADAEMO C=Cc1ccccc1[C@H]1CNCC[NH2+]1 238132996 573814253 /nfs/dbraw/zinc/81/42/53/573814253.db2.gz UDEKDOPLGCNSDY-GFCCVEGCSA-N 1 1 188.274 1.564 10 0 ADAEMO C[NH2+][C@H]1CC[N@H+](C(C)C)CC1(C)C 259198720 573814261 /nfs/dbraw/zinc/81/42/61/573814261.db2.gz IRAULMRPRGUJNT-JTQLQIEISA-N 1 1 184.327 1.715 10 0 ADAEMO CCC[N@@H+](C(C)C)[C@H](C)[C@@H](C)N 41053799 573823873 /nfs/dbraw/zinc/82/38/73/573823873.db2.gz RVSKMFOQHTWARO-NXEZZACHSA-N 1 1 172.316 1.843 10 0 ADAEMO CC[C@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)N 41053791 573823894 /nfs/dbraw/zinc/82/38/94/573823894.db2.gz JZUULQCRAKAFKZ-VWYCJHECSA-N 1 1 184.327 1.987 10 0 ADAEMO CC(C)(C)[C@H]([NH3+])C(=O)c1cncnc1 122777711 573823259 /nfs/dbraw/zinc/82/32/59/573823259.db2.gz ICFSEUSWNJHXQU-SECBINFHSA-N 1 1 193.250 1.033 10 0 ADAEMO Cc1cc([C@H]2CC[C@@H]([NH3+])C2)cnc1N 238525563 573823339 /nfs/dbraw/zinc/82/33/39/573823339.db2.gz XGKFWVSOQBTBHI-WCBMZHEXSA-N 1 1 191.278 1.567 10 0 ADAEMO C=C/C=C/C[NH+]1CCOCC1 238130747 573823489 /nfs/dbraw/zinc/82/34/89/573823489.db2.gz LGXOPVIQSYUNBL-ONEGZZNKSA-N 1 1 153.225 1.061 10 0 ADAEMO CC(C)CNC1=CC(=[NH2+])OC1(C)C 238129562 573823526 /nfs/dbraw/zinc/82/35/26/573823526.db2.gz CMTWDPHQFOACDN-UHFFFAOYSA-N 1 1 182.267 1.902 10 0 ADAEMO CCCC[N@H+]1CCC[C@H]1CC(N)=O 308445183 573823670 /nfs/dbraw/zinc/82/36/70/573823670.db2.gz AWNZHCXKHXVUHH-VIFPVBQESA-N 1 1 184.283 1.126 10 0 ADAEMO CC[C@@H](C)[N@@H+](CCN)C1CC1 41056885 573823685 /nfs/dbraw/zinc/82/36/85/573823685.db2.gz VSAQQMLJQSMUCZ-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CC[C@@H](C)N(CC[NH3+])C1CC1 41056885 573823689 /nfs/dbraw/zinc/82/36/89/573823689.db2.gz VSAQQMLJQSMUCZ-MRVPVSSYSA-N 1 1 156.273 1.208 10 0 ADAEMO CC1(C)C[C@@H](O)C[N@H+]1C[C@@H]1CCCO1 259204669 573823703 /nfs/dbraw/zinc/82/37/03/573823703.db2.gz CGNJXSYPPJWKPQ-ZJUUUORDSA-N 1 1 199.294 1.011 10 0 ADAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)N 41053843 573823762 /nfs/dbraw/zinc/82/37/62/573823762.db2.gz AYLJKUDAAIGXDE-UTLUCORTSA-N 1 1 172.316 1.698 10 0 ADAEMO CC[C@@H](CN)[N@H+](C)C[C@H](C)CC 94249452 573823766 /nfs/dbraw/zinc/82/37/66/573823766.db2.gz SBRKHZBABIQSCQ-ZJUUUORDSA-N 1 1 172.316 1.702 10 0 ADAEMO CCCCC[N@@H+](C)[C@@H](C)[C@@H](C)N 41053812 573826130 /nfs/dbraw/zinc/82/61/30/573826130.db2.gz OKDNNQBLRSGSNL-ZJUUUORDSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCCCN(C)[C@@H](C)[C@@H](C)[NH3+] 41053812 573826134 /nfs/dbraw/zinc/82/61/34/573826134.db2.gz OKDNNQBLRSGSNL-ZJUUUORDSA-N 1 1 172.316 1.844 10 0 ADAEMO CC[C@H](C)[N@@H+](CCN)C(C)C 41056194 573826174 /nfs/dbraw/zinc/82/61/74/573826174.db2.gz MOXBBXCCHQCFCY-VIFPVBQESA-N 1 1 158.289 1.454 10 0 ADAEMO C[C@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)N 41053889 573826261 /nfs/dbraw/zinc/82/62/61/573826261.db2.gz HTCCDPCGUJUZPT-YIZRAAEISA-N 1 1 156.273 1.206 10 0 ADAEMO C[C@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)N 41053889 573826268 /nfs/dbraw/zinc/82/62/68/573826268.db2.gz HTCCDPCGUJUZPT-YIZRAAEISA-N 1 1 156.273 1.206 10 0 ADAEMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=S 43514028 573826311 /nfs/dbraw/zinc/82/63/11/573826311.db2.gz MWJDDJRWMSTSEY-YUMQZZPRSA-N 1 1 188.340 1.639 10 0 ADAEMO CCC[C@@H](C)[N@@H+](CCN)C1CCC1 233275655 573826333 /nfs/dbraw/zinc/82/63/33/573826333.db2.gz AGBMKQLUAZFIAU-SNVBAGLBSA-N 1 1 184.327 1.988 10 0 ADAEMO CCCC[N@@H+](CC)[C@@H](C)[C@@H](C)N 41053760 573826363 /nfs/dbraw/zinc/82/63/63/573826363.db2.gz VCTXHEIJUCFQKU-ZJUUUORDSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCCN(CC)[C@@H](C)[C@@H](C)[NH3+] 41053760 573826370 /nfs/dbraw/zinc/82/63/70/573826370.db2.gz VCTXHEIJUCFQKU-ZJUUUORDSA-N 1 1 172.316 1.844 10 0 ADAEMO CCCCC[N@H+](CCN)C1CC1 41057033 573826389 /nfs/dbraw/zinc/82/63/89/573826389.db2.gz MDTDXGHPQBKPRO-UHFFFAOYSA-N 1 1 170.300 1.600 10 0 ADAEMO CCCCC[N@@H+](CCN)C1CC1 41057033 573826393 /nfs/dbraw/zinc/82/63/93/573826393.db2.gz MDTDXGHPQBKPRO-UHFFFAOYSA-N 1 1 170.300 1.600 10 0 ADAEMO C[NH2+]Cc1nc(Br)co1 257884999 573826403 /nfs/dbraw/zinc/82/64/03/573826403.db2.gz KZULEDTVVTWUHS-UHFFFAOYSA-N 1 1 191.028 1.157 10 0 ADAEMO Cc1ncn(-c2ccc[nH+]c2N)c1C 238526262 573826565 /nfs/dbraw/zinc/82/65/65/573826565.db2.gz YXDLTBBJMJYOGE-UHFFFAOYSA-N 1 1 188.234 1.466 10 0 ADAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)[C@@H](C)N 41053810 573826582 /nfs/dbraw/zinc/82/65/82/573826582.db2.gz XOVUWADPUAJPPA-BBBLOLIVSA-N 1 1 172.316 1.843 10 0 ADAEMO CCC[NH2+][C@H](COC)c1coc(C)n1 308445082 573826622 /nfs/dbraw/zinc/82/66/22/573826622.db2.gz AELUYEYCOPFEGX-SECBINFHSA-N 1 1 198.266 1.670 10 0 ADAEMO C[C@@H]1C[C@@H]1Nc1ccc[nH+]c1N 122792379 573826730 /nfs/dbraw/zinc/82/67/30/573826730.db2.gz TUTSAHOIPXPPFT-SVRRBLITSA-N 1 1 163.224 1.484 10 0 ADAEMO CCC[N@@H+](CCN)[C@@H](C)CC 41056537 573826732 /nfs/dbraw/zinc/82/67/32/573826732.db2.gz BDBFEWLWOBERHM-VIFPVBQESA-N 1 1 158.289 1.456 10 0 ADAEMO COCCc1[nH+]cc2n1C[C@@H](C)CC2 258436333 573826777 /nfs/dbraw/zinc/82/67/77/573826777.db2.gz WLCVSYNQUAGPJV-VIFPVBQESA-N 1 1 194.278 1.654 10 0 ADAEMO CCCC[N@@H+](C)[C@@H](C)C(N)=S 43513836 573826813 /nfs/dbraw/zinc/82/68/13/573826813.db2.gz WGFHRUYOCIISLR-ZETCQYMHSA-N 1 1 174.313 1.393 10 0 ADAEMO Cc1cc([C@H]2CC[C@H]([NH3+])C2)cnc1N 238525748 573826829 /nfs/dbraw/zinc/82/68/29/573826829.db2.gz XGKFWVSOQBTBHI-WPRPVWTQSA-N 1 1 191.278 1.567 10 0 ADAEMO C[N@H+]1CC[C@@H](O)[C@@H]1c1cccc(N)c1 257884678 573826063 /nfs/dbraw/zinc/82/60/63/573826063.db2.gz WBHYMOUVNPXJMQ-MNOVXSKESA-N 1 1 192.262 1.006 10 0 ADAEMO Cc1c[nH+]c(N)cc1C(F)F 238531514 573831031 /nfs/dbraw/zinc/83/10/31/573831031.db2.gz HOIYAOLSNZWTDP-UHFFFAOYSA-N 1 1 158.151 1.910 10 0 ADAEMO CCC[C@@]1(O)CCC[N@@H+](C)C1 84329250 573830367 /nfs/dbraw/zinc/83/03/67/573830367.db2.gz RXODDKRIHRRYMD-SECBINFHSA-N 1 1 157.257 1.243 10 0 ADAEMO COCC[N@@H+](CC[C@H](C)O)C(C)C 131405392 573830379 /nfs/dbraw/zinc/83/03/79/573830379.db2.gz LVUBTBMWSHBZPS-JTQLQIEISA-N 1 1 189.299 1.114 10 0 ADAEMO CC[N@H+]1CCC[C@H]([C@H](F)CO)C1 257886275 573830397 /nfs/dbraw/zinc/83/03/97/573830397.db2.gz MQXISLNPIIGPPZ-DTWKUNHWSA-N 1 1 175.247 1.049 10 0 ADAEMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=S 43514027 573830609 /nfs/dbraw/zinc/83/06/09/573830609.db2.gz MWJDDJRWMSTSEY-SFYZADRCSA-N 1 1 188.340 1.639 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc2[nH]cnc2c1 259206163 573830654 /nfs/dbraw/zinc/83/06/54/573830654.db2.gz IMNSCDSLJSRZEI-SNVBAGLBSA-N 1 1 189.218 1.152 10 0 ADAEMO CCCOC(=O)C[N@@H+]1CCC[C@@H]1C 308446116 573830666 /nfs/dbraw/zinc/83/06/66/573830666.db2.gz BGVGMGAAKVEDSV-VIFPVBQESA-N 1 1 185.267 1.424 10 0 ADAEMO CCCOC(=O)C[N@H+]1CCC[C@@H]1C 308446116 573830671 /nfs/dbraw/zinc/83/06/71/573830671.db2.gz BGVGMGAAKVEDSV-VIFPVBQESA-N 1 1 185.267 1.424 10 0 ADAEMO Cc1ccc([C@@]2(C)N[NH+]=C(N)S2)o1 238526960 573830700 /nfs/dbraw/zinc/83/07/00/573830700.db2.gz HCLHZSSYFYWIAA-QMMMGPOBSA-N 1 1 197.263 1.327 10 0 ADAEMO CC[C@@H](CO)C[N@@H+](C)C(C)(C)C 258961813 573830759 /nfs/dbraw/zinc/83/07/59/573830759.db2.gz KKBODOSNBHRZEA-SECBINFHSA-N 1 1 173.300 1.735 10 0 ADAEMO CCC[N@@H+](CC)[C@H](C)C(N)=S 43514004 573830958 /nfs/dbraw/zinc/83/09/58/573830958.db2.gz SBWAPACSWHYLFY-SSDOTTSWSA-N 1 1 174.313 1.393 10 0 ADAEMO CN(C)c1cccc(F)c1C(=O)C[NH3+] 258143096 573831052 /nfs/dbraw/zinc/83/10/52/573831052.db2.gz STPVSBVPTIIOAE-UHFFFAOYSA-N 1 1 196.225 1.033 10 0 ADAEMO N[C@@H](c1cccc(F)c1)[C@@H]1CC[NH2+]C1 257886421 573831211 /nfs/dbraw/zinc/83/12/11/573831211.db2.gz WGKLNNQXJJHSMF-KOLCDFICSA-N 1 1 194.253 1.435 10 0 ADAEMO CC[N@H+]1CCC[C@@H](CO)C1(C)C 259572885 573831307 /nfs/dbraw/zinc/83/13/07/573831307.db2.gz YSLGEFICHXKAFR-VIFPVBQESA-N 1 1 171.284 1.489 10 0 ADAEMO CC(C)[N@@H+]1Cc2cc(N)c(=O)[nH]c2C1 257885321 573831323 /nfs/dbraw/zinc/83/13/23/573831323.db2.gz WDQRJLGUKHPFAQ-UHFFFAOYSA-N 1 1 193.250 1.093 10 0 ADAEMO C#[N+]c1cccc(=O)[nH]1 100860376 573831401 /nfs/dbraw/zinc/83/14/01/573831401.db2.gz KVICLNUHAIWNMS-UHFFFAOYSA-N 1 1 120.111 1.338 10 0 ADAEMO C[N@@H+]1CCC[C@H]1c1oncc1C=O 258432015 573831442 /nfs/dbraw/zinc/83/14/42/573831442.db2.gz FULRLPYHHQZJGX-QMMMGPOBSA-N 1 1 180.207 1.254 10 0 ADAEMO C[N@H+]1CCC[C@H]1c1oncc1C=O 258432015 573831445 /nfs/dbraw/zinc/83/14/45/573831445.db2.gz FULRLPYHHQZJGX-QMMMGPOBSA-N 1 1 180.207 1.254 10 0 ADAEMO CN[C@@H]([NH3+])c1ccc(OC)c(F)c1 259206962 573831467 /nfs/dbraw/zinc/83/14/67/573831467.db2.gz GGGJYYJXJKBNFK-SECBINFHSA-N 1 1 184.214 1.011 10 0 ADAEMO CC[C@H](N)[C@H](C)[N@@H+](C)C1CCC1 127343917 573831666 /nfs/dbraw/zinc/83/16/66/573831666.db2.gz LSZLPHSTTVRESZ-WPRPVWTQSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@H]([NH3+])[C@H](C)N(C)C1CCC1 127343917 573831672 /nfs/dbraw/zinc/83/16/72/573831672.db2.gz LSZLPHSTTVRESZ-WPRPVWTQSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@@H](C)[C@@]1(O)CC[N@@H+](C)C1 84329255 573831704 /nfs/dbraw/zinc/83/17/04/573831704.db2.gz QKVGJJLWFLGNRG-RKDXNWHRSA-N 1 1 157.257 1.099 10 0 ADAEMO CC[N@H+]1CCC[C@H]([C@@H](F)CO)C1 257886276 573831784 /nfs/dbraw/zinc/83/17/84/573831784.db2.gz MQXISLNPIIGPPZ-IUCAKERBSA-N 1 1 175.247 1.049 10 0 ADAEMO CC[N@H+]1CCC[C@H](CO)C1(C)C 259572883 573831883 /nfs/dbraw/zinc/83/18/83/573831883.db2.gz YSLGEFICHXKAFR-SECBINFHSA-N 1 1 171.284 1.489 10 0 ADAEMO C[N@@H+](C[C@@H](N)CC1CC1)C1CCCC1 308446495 573832008 /nfs/dbraw/zinc/83/20/08/573832008.db2.gz AUMQBDRSWYGJQH-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO CN(C[C@@H]([NH3+])CC1CC1)C1CCCC1 308446495 573832018 /nfs/dbraw/zinc/83/20/18/573832018.db2.gz AUMQBDRSWYGJQH-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO Nc1c(C2CCCCCC2)[nH+]cn1N 84328764 573832064 /nfs/dbraw/zinc/83/20/64/573832064.db2.gz WGNSXZSJYZJSDG-UHFFFAOYSA-N 1 1 194.282 1.617 10 0 ADAEMO Cc1oc(N)nc1[C@H]1CCCC[N@H+]1C 258150977 573832073 /nfs/dbraw/zinc/83/20/73/573832073.db2.gz RZQAGNGRPHSDLV-MRVPVSSYSA-N 1 1 195.266 1.722 10 0 ADAEMO Cc1oc(N)nc1[C@H]1CCCC[N@@H+]1C 258150977 573832079 /nfs/dbraw/zinc/83/20/79/573832079.db2.gz RZQAGNGRPHSDLV-MRVPVSSYSA-N 1 1 195.266 1.722 10 0 ADAEMO COC(=O)[C@]1([NH2+]C(C)C)CC[C@@H]2C[C@@H]21 308445999 573832089 /nfs/dbraw/zinc/83/20/89/573832089.db2.gz ANCIEVATNGMUCO-YWVKMMECSA-N 1 1 197.278 1.326 10 0 ADAEMO COC[N@@H+](C)CCC(C)(C)C 258962104 573832147 /nfs/dbraw/zinc/83/21/47/573832147.db2.gz ATMRUQDJKOSGMH-UHFFFAOYSA-N 1 1 159.273 1.958 10 0 ADAEMO CNCC(C)(C)[NH2+]CCc1cc[nH]c1 258962099 573832208 /nfs/dbraw/zinc/83/22/08/573832208.db2.gz XVEYKBAWDMWOAB-UHFFFAOYSA-N 1 1 195.310 1.145 10 0 ADAEMO CC[C@H](N)[C@@H](C)[N@@H+](C)C1CCC1 127343464 573832239 /nfs/dbraw/zinc/83/22/39/573832239.db2.gz LSZLPHSTTVRESZ-SCZZXKLOSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[C@H]([NH3+])[C@@H](C)N(C)C1CCC1 127343464 573832244 /nfs/dbraw/zinc/83/22/44/573832244.db2.gz LSZLPHSTTVRESZ-SCZZXKLOSA-N 1 1 170.300 1.597 10 0 ADAEMO CCC[C@]1(O)CCC[N@@H+](C)C1 84329248 573832304 /nfs/dbraw/zinc/83/23/04/573832304.db2.gz RXODDKRIHRRYMD-VIFPVBQESA-N 1 1 157.257 1.243 10 0 ADAEMO C[C@H]([NH3+])c1nc([C@]2(C)CCCO2)no1 87226445 573832392 /nfs/dbraw/zinc/83/23/92/573832392.db2.gz PHOSRWPQJMWLFC-RCOVLWMOSA-N 1 1 197.238 1.115 10 0 ADAEMO CC[N@H+]1CCC[C@@H]([C@H](F)CO)C1 257886277 573832397 /nfs/dbraw/zinc/83/23/97/573832397.db2.gz MQXISLNPIIGPPZ-RKDXNWHRSA-N 1 1 175.247 1.049 10 0 ADAEMO CC[C@H](C)[C@@]1(O)CC[N@@H+](C)C1 84329256 573832446 /nfs/dbraw/zinc/83/24/46/573832446.db2.gz QKVGJJLWFLGNRG-DTWKUNHWSA-N 1 1 157.257 1.099 10 0 ADAEMO C[C@H]([NH3+])c1nc([C@@]2(C)CCCO2)no1 87226447 573832490 /nfs/dbraw/zinc/83/24/90/573832490.db2.gz PHOSRWPQJMWLFC-IMTBSYHQSA-N 1 1 197.238 1.115 10 0 ADAEMO N[C@@H](c1cccc(F)c1)[C@H]1CC[NH2+]C1 257886425 573832517 /nfs/dbraw/zinc/83/25/17/573832517.db2.gz WGKLNNQXJJHSMF-ONGXEEELSA-N 1 1 194.253 1.435 10 0 ADAEMO CN(C)[C@@H](C[NH3+])C1CCCCCC1 84328471 573832535 /nfs/dbraw/zinc/83/25/35/573832535.db2.gz VTFNXVBNOZUBQO-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO CC[C@@H](N)[C@@H](C)[N@@H+](C)C1CCC1 127343691 573832558 /nfs/dbraw/zinc/83/25/58/573832558.db2.gz LSZLPHSTTVRESZ-PSASIEDQSA-N 1 1 170.300 1.597 10 0 ADAEMO Cc1c[nH+]c(N)c(OC(C)C)c1 238148724 573832562 /nfs/dbraw/zinc/83/25/62/573832562.db2.gz LZRHWFUIUICNCN-UHFFFAOYSA-N 1 1 166.224 1.759 10 0 ADAEMO CC[C@@H]([NH3+])[C@@H](C)N(C)C1CCC1 127343691 573832566 /nfs/dbraw/zinc/83/25/66/573832566.db2.gz LSZLPHSTTVRESZ-PSASIEDQSA-N 1 1 170.300 1.597 10 0 ADAEMO CC[N@H+]1CCC[C@@H]([C@@H](F)CO)C1 257886274 573832618 /nfs/dbraw/zinc/83/26/18/573832618.db2.gz MQXISLNPIIGPPZ-BDAKNGLRSA-N 1 1 175.247 1.049 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 335748072 573835248 /nfs/dbraw/zinc/83/52/48/573835248.db2.gz IFFYACANYHIQKI-SECBINFHSA-N 1 1 194.282 1.393 10 0 ADAEMO Cc1cc[nH+]c(N[C@H]2CC[C@H]2O)c1 585297598 573835275 /nfs/dbraw/zinc/83/52/75/573835275.db2.gz HCXNDCAFKAZNNI-DTWKUNHWSA-N 1 1 178.235 1.325 10 0 ADAEMO Cc1nnc([C@@H]2CCCCC[C@H]2[NH3+])[nH]1 87221465 573835289 /nfs/dbraw/zinc/83/52/89/573835289.db2.gz RTJAZHHSIAOIMN-RKDXNWHRSA-N 1 1 194.282 1.488 10 0 ADAEMO Cc1nc([C@@H]2CCCCC[C@H]2[NH3+])n[nH]1 87221465 573835293 /nfs/dbraw/zinc/83/52/93/573835293.db2.gz RTJAZHHSIAOIMN-RKDXNWHRSA-N 1 1 194.282 1.488 10 0 ADAEMO CC[C@@H](C)[C@@]1(O)CCC[N@@H+](C)C1 84332080 573835432 /nfs/dbraw/zinc/83/54/32/573835432.db2.gz JNVCDBAFRJRRGI-NXEZZACHSA-N 1 1 171.284 1.489 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@@H]1[C@H]1NCCCO1 258153177 573835590 /nfs/dbraw/zinc/83/55/90/573835590.db2.gz PQXWVOKNKGZMIS-MNOVXSKESA-N 1 1 198.310 1.195 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H]1[C@H]1NCCCO1 258153177 573835598 /nfs/dbraw/zinc/83/55/98/573835598.db2.gz PQXWVOKNKGZMIS-MNOVXSKESA-N 1 1 198.310 1.195 10 0 ADAEMO Cc1ccccc1[C@H](N)C(C)(C)C[NH3+] 259575286 573835615 /nfs/dbraw/zinc/83/56/15/573835615.db2.gz YUIFUXMEUZJWKP-NSHDSACASA-N 1 1 192.306 1.980 10 0 ADAEMO CC(C)[N@@H+]1CCC[C@H]1[C@H]1NCCCO1 258153179 573835633 /nfs/dbraw/zinc/83/56/33/573835633.db2.gz PQXWVOKNKGZMIS-QWRGUYRKSA-N 1 1 198.310 1.195 10 0 ADAEMO CC(C)[N@H+]1CCC[C@H]1[C@H]1NCCCO1 258153179 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197.238 1.115 10 0 ADAEMO CC1CCC([C@H]2COC(N)=[NH+]2)CC1 84340294 573842113 /nfs/dbraw/zinc/84/21/13/573842113.db2.gz YZLOIJIQULDUHB-AMDVSUOASA-N 1 1 182.267 1.526 10 0 ADAEMO CC[N@H+]1CC[C@@H](CCO)C(C)(C)C1 259208009 573842209 /nfs/dbraw/zinc/84/22/09/573842209.db2.gz JKIPCUJCYXNVAK-JTQLQIEISA-N 1 1 185.311 1.737 10 0 ADAEMO CC[C@H](C(N)=S)[N@@H+](CC)C(C)C 43539689 573842309 /nfs/dbraw/zinc/84/23/09/573842309.db2.gz HNQWLPXGCOJWFK-MRVPVSSYSA-N 1 1 188.340 1.781 10 0 ADAEMO CC(C)[N@H+]1CCC[C@@H](C2(O)CC2)C1 258158851 573847156 /nfs/dbraw/zinc/84/71/56/573847156.db2.gz WQUBRKLESSAUAX-SNVBAGLBSA-N 1 1 183.295 1.632 10 0 ADAEMO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]21)C(=O)OC 308452031 573847172 /nfs/dbraw/zinc/84/71/72/573847172.db2.gz CRWNVSZLTGVNSX-XFWSIPNHSA-N 1 1 197.278 1.326 10 0 ADAEMO CC[C@@H](CN)[N@H+]1CCC(C)(C)C1 87232782 573847183 /nfs/dbraw/zinc/84/71/83/573847183.db2.gz GFSMVWIFKVWURH-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@@H](C[NH3+])N1CCC(C)(C)C1 87232782 573847188 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184.327 1.846 10 0 ADAEMO CC[C@@](C)(CN)C[N@@H+](C)C1CCC1 127565498 573915118 /nfs/dbraw/zinc/91/51/18/573915118.db2.gz ATVDRVJLOZFUQE-NSHDSACASA-N 1 1 184.327 1.846 10 0 ADAEMO C[N@H+]1CC[C@@H](O)[C@H]1c1cccc(O)c1 257898164 573915147 /nfs/dbraw/zinc/91/51/47/573915147.db2.gz YHGHAYBXKYNZJS-GHMZBOCLSA-N 1 1 193.246 1.130 10 0 ADAEMO C[C@H](N)C[NH2+]CC1(C2CC2)CCC1 393597828 573915159 /nfs/dbraw/zinc/91/51/59/573915159.db2.gz KGCCMSGUOHSXMU-VIFPVBQESA-N 1 1 182.311 1.504 10 0 ADAEMO CN[C@H](c1cccc(C)c1)C1([NH3+])CC1 259237677 573915192 /nfs/dbraw/zinc/91/51/92/573915192.db2.gz MZISDDIYUDZRKT-LLVKDONJSA-N 1 1 190.290 1.747 10 0 ADAEMO Cc1ccc2[nH]nc(C[NH3+])c2c1Cl 76636750 573915196 /nfs/dbraw/zinc/91/51/96/573915196.db2.gz GSETVZGVOXPFJF-UHFFFAOYSA-N 1 1 195.653 1.983 10 0 ADAEMO Cc1[nH]c([C@@H]2CC[N@H+](C)C2)cc1CO 259237780 573915278 /nfs/dbraw/zinc/91/52/78/573915278.db2.gz PCYDBEBFPKEYJY-SECBINFHSA-N 1 1 194.278 1.235 10 0 ADAEMO C[NH2+][C@@H](C1CCCCC1)[C@@H](C)N 259238328 573915307 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1.420 10 0 ADAEMO C[C@@H]([NH3+])c1nc(C2(C)CC2)no1 87548497 573941439 /nfs/dbraw/zinc/94/14/39/573941439.db2.gz AWNNXCDIHPCCTM-RXMQYKEDSA-N 1 1 167.212 1.141 10 0 ADAEMO C[NH2+]CCCN(C)[C@@H]1CCSC1 42409536 573941464 /nfs/dbraw/zinc/94/14/64/573941464.db2.gz ZJBHEZBHKRUWDS-SECBINFHSA-N 1 1 188.340 1.033 10 0 ADAEMO CCC[N@@H+](C)[C@H](CC)CNC(C)=O 238214990 573941533 /nfs/dbraw/zinc/94/15/33/573941533.db2.gz VWZQUNQCRQXGLZ-SNVBAGLBSA-N 1 1 186.299 1.243 10 0 ADAEMO C1Cc2onc(C[NH2+]C3CC3)c2C1 87547263 573941556 /nfs/dbraw/zinc/94/15/56/573941556.db2.gz KNZHTPQXFWZINP-UHFFFAOYSA-N 1 1 178.235 1.415 10 0 ADAEMO C[NH2+]CCCN(C)[C@H]1CCSC1 42409537 573941583 /nfs/dbraw/zinc/94/15/83/573941583.db2.gz ZJBHEZBHKRUWDS-VIFPVBQESA-N 1 1 188.340 1.033 10 0 ADAEMO CC1(c2noc([C@H]([NH3+])C3CC3)n2)CC1 87548370 573941594 /nfs/dbraw/zinc/94/15/94/573941594.db2.gz AFCRIFSKZZTAHD-SSDOTTSWSA-N 1 1 193.250 1.531 10 0 ADAEMO C[NH2+]C(C)(C)c1nc(C2(C)CC2)no1 87548575 573941798 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1 1 194.282 1.352 10 0 ADAEMO C[N@@H+](CC(C)(C)C)[C@@H](CN)C1CC1 45069947 573946459 /nfs/dbraw/zinc/94/64/59/573946459.db2.gz SMZNAYNDASIJAQ-JTQLQIEISA-N 1 1 184.327 1.702 10 0 ADAEMO CN(CC(C)(C)C)[C@@H](C[NH3+])C1CC1 45069947 573946462 /nfs/dbraw/zinc/94/64/62/573946462.db2.gz SMZNAYNDASIJAQ-JTQLQIEISA-N 1 1 184.327 1.702 10 0 ADAEMO CCC[C@H](C)n1nnc2c1CC[NH2+]C2 85004573 573946477 /nfs/dbraw/zinc/94/64/77/573946477.db2.gz PXBDYFZKLFYINL-QMMMGPOBSA-N 1 1 194.282 1.285 10 0 ADAEMO Cc1c[nH+]c(N)c([C@@H](O)C2(C)CC2)c1 87550137 573946512 /nfs/dbraw/zinc/94/65/12/573946512.db2.gz KQOGYWHLKLQIDO-SECBINFHSA-N 1 1 192.262 1.806 10 0 ADAEMO Cn1cc[nH+]c1C[C@H](O)C1(C)CC1 87550000 573946536 /nfs/dbraw/zinc/94/65/36/573946536.db2.gz TWXYABALEBXMMM-QMMMGPOBSA-N 1 1 180.251 1.124 10 0 ADAEMO C[N@@H+](CCC(N)=S)CC(C)(C)C 45073797 573946556 /nfs/dbraw/zinc/94/65/56/573946556.db2.gz SNNSEGVRXMAVOD-UHFFFAOYSA-N 1 1 188.340 1.641 10 0 ADAEMO CCc1[nH+]ccn1CCCC(N)=S 42419844 573946590 /nfs/dbraw/zinc/94/65/90/573946590.db2.gz WYWAUHDHFLFUPY-UHFFFAOYSA-N 1 1 197.307 1.512 10 0 ADAEMO CC1([C@@H](O)Cc2ccc[nH+]c2N)CC1 87550142 573946596 /nfs/dbraw/zinc/94/65/96/573946596.db2.gz FSCZSVLPWHXLEP-VIFPVBQESA-N 1 1 192.262 1.367 10 0 ADAEMO CCc1[nH+]ccn1[C@@H](C)CC(N)=S 42419858 573946618 /nfs/dbraw/zinc/94/66/18/573946618.db2.gz OTDCMEJPQSQSJY-ZETCQYMHSA-N 1 1 197.307 1.683 10 0 ADAEMO CC(C)[C@@H](C)n1nnc2c1CC[NH2+]C2 85004604 573947564 /nfs/dbraw/zinc/94/75/64/573947564.db2.gz LQZMKDAKZNUMMX-MRVPVSSYSA-N 1 1 194.282 1.141 10 0 ADAEMO C[N@H+]1CC[C@@H](CC2CCC(O)CC2)C1 259025989 573947681 /nfs/dbraw/zinc/94/76/81/573947681.db2.gz AXCRXPZNZDSCSB-CXQJBGSLSA-N 1 1 197.322 1.879 10 0 ADAEMO [NH3+][C@H]1CC[C@@H](c2n[nH]c(C3CC3)n2)C1 85008427 573947685 /nfs/dbraw/zinc/94/76/85/573947685.db2.gz IJAVOUSGHIQOQE-SFYZADRCSA-N 1 1 192.266 1.277 10 0 ADAEMO [NH3+][C@H]1CC[C@@H](c2nc(C3CC3)n[nH]2)C1 85008427 573947688 /nfs/dbraw/zinc/94/76/88/573947688.db2.gz IJAVOUSGHIQOQE-SFYZADRCSA-N 1 1 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45135317 573948085 /nfs/dbraw/zinc/94/80/85/573948085.db2.gz OFVDVNJKMNKISH-LPEHRKFASA-N 1 1 182.311 1.454 10 0 ADAEMO CCC(CC)n1nnc2c1CC[NH2+]C2 85004585 573948220 /nfs/dbraw/zinc/94/82/20/573948220.db2.gz XPVOKEWYPULIKK-UHFFFAOYSA-N 1 1 194.282 1.285 10 0 ADAEMO CCCC[N@@H+](CCN)C1CCCC1 42428178 573951879 /nfs/dbraw/zinc/95/18/79/573951879.db2.gz LACGFAURUBFPOQ-UHFFFAOYSA-N 1 1 184.327 1.990 10 0 ADAEMO Cc1cc[nH+]c(N)c1[C@H](O)CC1CC1 87581105 573951880 /nfs/dbraw/zinc/95/18/80/573951880.db2.gz FJYKODCDCZGCEH-SECBINFHSA-N 1 1 192.262 1.806 10 0 ADAEMO CC1(C)CCC[N@H+]1[C@@H](CN)C1CCC1 87584991 573951980 /nfs/dbraw/zinc/95/19/80/573951980.db2.gz XZPCZCSBGIUBJD-NSHDSACASA-N 1 1 196.338 1.988 10 0 ADAEMO C[C@@H]1C[N@@H+]([C@@H](CN)C2CCC2)C[C@@H]1C 87585132 573952022 /nfs/dbraw/zinc/95/20/22/573952022.db2.gz OMIYMPOIRFDRKZ-UMNHJUIQSA-N 1 1 196.338 1.702 10 0 ADAEMO C[C@@H]1CCC[N@H+]([C@@H](CN)C2CCC2)C1 87584697 573952038 /nfs/dbraw/zinc/95/20/38/573952038.db2.gz DYEFMEGWOXEXKT-PWSUYJOCSA-N 1 1 196.338 1.846 10 0 ADAEMO Cc1ccc2c[nH+]c([C@@H](C)O)n2c1 257915623 573952090 /nfs/dbraw/zinc/95/20/90/573952090.db2.gz QTCGQKIUTRNENX-MRVPVSSYSA-N 1 1 176.219 1.696 10 0 ADAEMO CN1CC[N@@H+](C)[C@](C)(C2CCC2)C1 259026882 573952116 /nfs/dbraw/zinc/95/21/16/573952116.db2.gz JIZGOZDVEOHFRI-NSHDSACASA-N 1 1 182.311 1.422 10 0 ADAEMO CN1CC[N@H+](C)C[C@@]1(C)C1CCC1 259026882 573952119 /nfs/dbraw/zinc/95/21/19/573952119.db2.gz JIZGOZDVEOHFRI-NSHDSACASA-N 1 1 182.311 1.422 10 0 ADAEMO CN1CC[N@@H+](C)C[C@@]1(C)C1CCC1 259026882 573952124 /nfs/dbraw/zinc/95/21/24/573952124.db2.gz JIZGOZDVEOHFRI-NSHDSACASA-N 1 1 182.311 1.422 10 0 ADAEMO CC[N@H+]1CCC[C@H]1CCCONC 257911155 573952165 /nfs/dbraw/zinc/95/21/65/573952165.db2.gz IWEKQVJCVLSKCO-JTQLQIEISA-N 1 1 186.299 1.402 10 0 ADAEMO COC(=[NH2+])CC1CC1 87583193 573952201 /nfs/dbraw/zinc/95/22/01/573952201.db2.gz BGQBLPYNLKEMGS-UHFFFAOYSA-N 1 1 113.160 1.410 10 0 ADAEMO CN1CC[N@@H+](C)[C@@](C)(C2CCC2)C1 259026877 573952345 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NC[C@]1(F)CCC[N@H+]2CCCC[C@H]21 257910256 573952488 /nfs/dbraw/zinc/95/24/88/573952488.db2.gz QFJGVCQDUSGUAB-VHSXEESVSA-N 1 1 186.274 1.302 10 0 ADAEMO CC(C)C[NH2+]C[C@H]1CC[C@@H]1N1CCC1 308471771 573955397 /nfs/dbraw/zinc/95/53/97/573955397.db2.gz BYIMKNUKHDJUAX-NEPJUHHUSA-N 1 1 196.338 1.716 10 0 ADAEMO C[NH2+]C(C)(C)c1nc(CC2CC2)no1 87580348 573955398 /nfs/dbraw/zinc/95/53/98/573955398.db2.gz CPQDMKKRUVYNOB-UHFFFAOYSA-N 1 1 195.266 1.477 10 0 ADAEMO CCC1CCN(C[C@H]([NH3+])CC)CC1 42447462 573955429 /nfs/dbraw/zinc/95/54/29/573955429.db2.gz RQIIJSPFYGTCDZ-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC1CC[NH+](C[C@H](N)CC)CC1 42447462 573955435 /nfs/dbraw/zinc/95/54/35/573955435.db2.gz RQIIJSPFYGTCDZ-LLVKDONJSA-N 1 1 184.327 1.846 10 0 ADAEMO CCC[N@H+]1CCCC[C@H](N)C1 238215438 573955518 /nfs/dbraw/zinc/95/55/18/573955518.db2.gz JNYTYWVMEZSDAS-VIFPVBQESA-N 1 1 156.273 1.210 10 0 ADAEMO C[C@@H]1CCCC[N@H+]1[C@@H](CN)C1CCC1 87584688 573955523 /nfs/dbraw/zinc/95/55/23/573955523.db2.gz 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87575324 573955765 /nfs/dbraw/zinc/95/57/65/573955765.db2.gz DBOXIMRELQXDMJ-UHFFFAOYSA-N 1 1 183.280 1.714 10 0 ADAEMO [NH2+]=C(c1cncs1)N1CCCC1 87575329 573955781 /nfs/dbraw/zinc/95/57/81/573955781.db2.gz LHTCDJJINPGWQC-UHFFFAOYSA-N 1 1 181.264 1.564 10 0 ADAEMO NC[C@]1([NH3+])CCC[C@@H](C2CC2)C1 81640748 573955797 /nfs/dbraw/zinc/95/57/97/573955797.db2.gz USMIJIIONYFTLR-ZJUUUORDSA-N 1 1 168.284 1.243 10 0 ADAEMO CCCNC(=[NH2+])c1cncs1 87575320 573955833 /nfs/dbraw/zinc/95/58/33/573955833.db2.gz VPBQZYGQXJHMJQ-UHFFFAOYSA-N 1 1 169.253 1.468 10 0 ADAEMO CC(C)NC(=[NH2+])c1cncs1 87575321 573955897 /nfs/dbraw/zinc/95/58/97/573955897.db2.gz ZIRPYPSDBGZKEU-UHFFFAOYSA-N 1 1 169.253 1.466 10 0 ADAEMO CN(C)[C@@]1(C[NH3+])CCC[C@H](C2CC2)C1 81640476 573955938 /nfs/dbraw/zinc/95/59/38/573955938.db2.gz XVVYPICNQDKMCT-RYUDHWBXSA-N 1 1 196.338 1.846 10 0 ADAEMO C[NH2+]Cc1c[nH]c(CC2CC2)n1 87583886 573955946 /nfs/dbraw/zinc/95/59/46/573955946.db2.gz KNSWHXCYOULIDY-UHFFFAOYSA-N 1 1 165.240 1.082 10 0 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574005561 /nfs/dbraw/zinc/00/55/61/574005561.db2.gz KRGJLGONDCCLAH-UHFFFAOYSA-N 1 1 189.262 1.387 10 0 ADAEMO CCNC[C@H]([NH2+]C)C1CCCCC1 259270586 574005662 /nfs/dbraw/zinc/00/56/62/574005662.db2.gz HZCLLUUQMUPEJZ-NSHDSACASA-N 1 1 184.327 1.764 10 0 ADAEMO CC(C)OC[C@@]1(O)CC[N@H+]2CCC[C@@H]21 123356005 574005712 /nfs/dbraw/zinc/00/57/12/574005712.db2.gz REVOTEXRKCSGNA-MNOVXSKESA-N 1 1 199.294 1.011 10 0 ADAEMO NC(=O)CC[N@H+]1CC[C@H]2CCCC[C@@H]21 111250446 574005773 /nfs/dbraw/zinc/00/57/73/574005773.db2.gz MTBAOCRQRVPFBP-ZJUUUORDSA-N 1 1 196.294 1.126 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc2[nH]ccc2c1 104486826 574005891 /nfs/dbraw/zinc/00/58/91/574005891.db2.gz TUSJACZMXHHQQP-LLVKDONJSA-N 1 1 188.230 1.757 10 0 ADAEMO CCC[C@H]1[C@@H](O)CCC[N@H+]1C 238240044 574005897 /nfs/dbraw/zinc/00/58/97/574005897.db2.gz YRFSFOZGXWYRQK-IUCAKERBSA-N 1 1 157.257 1.242 10 0 ADAEMO CN1CCCC[C@@H]1C1([NH3+])CCCC1 258199517 574005931 /nfs/dbraw/zinc/00/59/31/574005931.db2.gz ZDKRFQIDKHJDHJ-SNVBAGLBSA-N 1 1 182.311 1.742 10 0 ADAEMO C[N@H+]1CCC[C@H]1CC(=O)NC(C)(C)C 82317089 574005954 /nfs/dbraw/zinc/00/59/54/574005954.db2.gz GRELIETTYOATOH-VIFPVBQESA-N 1 1 198.310 1.385 10 0 ADAEMO C[N@@H+]1CC[C@@H](c2csc(C=O)n2)C1 259271351 574005972 /nfs/dbraw/zinc/00/59/72/574005972.db2.gz OVMKRAFBBPCANS-SSDOTTSWSA-N 1 1 196.275 1.375 10 0 ADAEMO C[N@H+]1CC[C@@H](c2csc(C=O)n2)C1 259271351 574005977 /nfs/dbraw/zinc/00/59/77/574005977.db2.gz OVMKRAFBBPCANS-SSDOTTSWSA-N 1 1 196.275 1.375 10 0 ADAEMO c1ncn(C2CC2)c1[C@H]1[NH2+]CCS1 85189987 574007949 /nfs/dbraw/zinc/00/79/49/574007949.db2.gz WEGMSIKLXVCSCU-VIFPVBQESA-N 1 1 195.291 1.553 10 0 ADAEMO CC[C@H]([NH3+])Cc1nnc(C(C)C)[nH]1 128036305 574008649 /nfs/dbraw/zinc/00/86/49/574008649.db2.gz YVROPBLTEADEGN-ZETCQYMHSA-N 1 1 182.271 1.208 10 0 ADAEMO [NH3+]Cc1nnc([C@@H]2CCCCS2)o1 87682239 574008650 /nfs/dbraw/zinc/00/86/50/574008650.db2.gz HHKPTRNXDXZWCK-LURJTMIESA-N 1 1 199.279 1.487 10 0 ADAEMO CCCn1cncc1[C@@H]1[NH2+]CCS1 85186347 574008720 /nfs/dbraw/zinc/00/87/20/574008720.db2.gz GSCNOPCAWFWHFO-SECBINFHSA-N 1 1 197.307 1.628 10 0 ADAEMO COc1c(C)ccc(C(=O)C[NH3+])c1C 258201148 574008145 /nfs/dbraw/zinc/00/81/45/574008145.db2.gz YLXIMNCZEBMBNV-UHFFFAOYSA-N 1 1 193.246 1.453 10 0 ADAEMO Cc1sc(N)nc1[C@H]1CCC[N@@H+]1C 258202368 574008176 /nfs/dbraw/zinc/00/81/76/574008176.db2.gz WWHLWXHYAHZLOA-SSDOTTSWSA-N 1 1 197.307 1.800 10 0 ADAEMO CN1CC[C@H](C[NH2+]CC2CCCC2)C1 48732709 574008215 /nfs/dbraw/zinc/00/82/15/574008215.db2.gz FDKRWMFFQVONMH-GFCCVEGCSA-N 1 1 196.338 1.718 10 0 ADAEMO Cc1sc(N)nc1[C@@H]1CCC[N@@H+]1C 258202379 574008293 /nfs/dbraw/zinc/00/82/93/574008293.db2.gz WWHLWXHYAHZLOA-ZETCQYMHSA-N 1 1 197.307 1.800 10 0 ADAEMO C[C@H](CC[NH3+])c1cc(O)ccc1C=O 258203133 574008309 /nfs/dbraw/zinc/00/83/09/574008309.db2.gz YOPKYGHGHXHHHI-MRVPVSSYSA-N 1 1 193.246 1.657 10 0 ADAEMO COCc1cccc(C(=O)C[NH3+])c1F 258201183 574008327 /nfs/dbraw/zinc/00/83/27/574008327.db2.gz YMVYNJCXJZNFOJ-UHFFFAOYSA-N 1 1 197.209 1.114 10 0 ADAEMO CC1(C)[C@H](CCO)CC[N@H+]1C1CC1 259272183 574008388 /nfs/dbraw/zinc/00/83/88/574008388.db2.gz GCMICZTZWMKTFE-VIFPVBQESA-N 1 1 183.295 1.632 10 0 ADAEMO CCn1cncc1[C@@H]1[NH2+]CCS1 85183693 574008412 /nfs/dbraw/zinc/00/84/12/574008412.db2.gz YHRJVHGTMVBWIN-MRVPVSSYSA-N 1 1 183.280 1.238 10 0 ADAEMO [NH3+][C@@H]1COc2c1cc(F)c(O)c2F 104491450 574008458 /nfs/dbraw/zinc/00/84/58/574008458.db2.gz QEOLRYONQQOBNJ-RXMQYKEDSA-N 1 1 187.145 1.063 10 0 ADAEMO Nc1ccc(CCCC[NH3+])cc1S 259273540 574008488 /nfs/dbraw/zinc/00/84/88/574008488.db2.gz SIUGVTQHIAPTQR-UHFFFAOYSA-N 1 1 196.319 1.839 10 0 ADAEMO CC(=O)[C@@H]([NH3+])c1ccc(O)cc1Cl 104492593 574008515 /nfs/dbraw/zinc/00/85/15/574008515.db2.gz NFJHUSMLZUQJTA-SECBINFHSA-N 1 1 199.637 1.634 10 0 ADAEMO CCCc1nnc(C[C@H]([NH3+])CC)[nH]1 128036786 574008536 /nfs/dbraw/zinc/00/85/36/574008536.db2.gz GIDNYDGGBCETMY-SSDOTTSWSA-N 1 1 182.271 1.037 10 0 ADAEMO CCCc1nc(C[C@H]([NH3+])CC)n[nH]1 128036786 574008541 /nfs/dbraw/zinc/00/85/41/574008541.db2.gz GIDNYDGGBCETMY-SSDOTTSWSA-N 1 1 182.271 1.037 10 0 ADAEMO C[C@@H](CC[NH3+])c1cc(O)ccc1C=O 258203137 574008622 /nfs/dbraw/zinc/00/86/22/574008622.db2.gz YOPKYGHGHXHHHI-QMMMGPOBSA-N 1 1 193.246 1.657 10 0 ADAEMO CC(C)C[NH+]1C[C@@H]2CN(C)C[C@H]2C1 585382959 574018502 /nfs/dbraw/zinc/01/85/02/574018502.db2.gz WLEPGEBDHUCCAG-QWRGUYRKSA-N 1 1 182.311 1.136 10 0 ADAEMO CCCC1([C@H]2[NH2+]CCNC2=O)CCC1 686130308 574018528 /nfs/dbraw/zinc/01/85/28/574018528.db2.gz ACVWWCZCKPXEBE-VIFPVBQESA-N 1 1 196.294 1.045 10 0 ADAEMO CC[NH2+][C@@]1(C(F)F)CCCOC1 87689040 574018547 /nfs/dbraw/zinc/01/85/47/574018547.db2.gz KQCXPCHTXDBUBX-QMMMGPOBSA-N 1 1 179.210 1.410 10 0 ADAEMO [NH3+]Cc1nnc(OC2CCCC2)s1 87698767 574018737 /nfs/dbraw/zinc/01/87/37/574018737.db2.gz OWVKQDJGYQSAGU-UHFFFAOYSA-N 1 1 199.279 1.318 10 0 ADAEMO Cc1[nH+]ccn1CCF 87689877 574018986 /nfs/dbraw/zinc/01/89/86/574018986.db2.gz CUGVYZXPQPAIJS-UHFFFAOYSA-N 1 1 128.150 1.161 10 0 ADAEMO CCc1cccc([C@@H]2CNCC[NH2+]2)c1 104508696 574019117 /nfs/dbraw/zinc/01/91/17/574019117.db2.gz KWEOXROWCXAKCO-LBPRGKRZSA-N 1 1 190.290 1.483 10 0 ADAEMO F[C@H]1CCC[C@@H]1[NH2+]Cc1cnc[nH]1 585385831 574020387 /nfs/dbraw/zinc/02/03/87/574020387.db2.gz HZYROWQWAOKCTD-IUCAKERBSA-N 1 1 183.230 1.390 10 0 ADAEMO Clc1cncc([C@@H]2COCC[NH2+]2)c1 104504841 574020400 /nfs/dbraw/zinc/02/04/00/574020400.db2.gz QPGWVHLKUQSDPI-VIFPVBQESA-N 1 1 198.653 1.396 10 0 ADAEMO Cc1cc([C@H]2COCC[NH2+]2)cs1 104506089 574020426 /nfs/dbraw/zinc/02/04/26/574020426.db2.gz YXYBAMJCZWQKII-SECBINFHSA-N 1 1 183.276 1.717 10 0 ADAEMO [NH3+]Cc1cnc([C@H]2CCCS2)[nH]1 87716548 574020500 /nfs/dbraw/zinc/02/05/00/574020500.db2.gz IRZDSQHQEKMYEO-SSDOTTSWSA-N 1 1 183.280 1.437 10 0 ADAEMO Cc1oncc1C[NH2+][C@@H]1CCC[C@H]1F 585385488 574020595 /nfs/dbraw/zinc/02/05/95/574020595.db2.gz BWBDAKBSDPHAEF-NXEZZACHSA-N 1 1 198.241 1.963 10 0 ADAEMO [NH3+]Cc1cnc([C@@H]2CCCS2)[nH]1 87716545 574020600 /nfs/dbraw/zinc/02/06/00/574020600.db2.gz IRZDSQHQEKMYEO-ZETCQYMHSA-N 1 1 183.280 1.437 10 0 ADAEMO F[C@@H]1CCC[C@H]1[NH2+]Cc1cnc[nH]1 585385832 574020633 /nfs/dbraw/zinc/02/06/33/574020633.db2.gz HZYROWQWAOKCTD-RKDXNWHRSA-N 1 1 183.230 1.390 10 0 ADAEMO Cc1cc(C[NH2+][C@H]2CCC[C@H]2F)on1 585385791 574020691 /nfs/dbraw/zinc/02/06/91/574020691.db2.gz GWXPLBSMGIMZPZ-ZJUUUORDSA-N 1 1 198.241 1.963 10 0 ADAEMO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2F)on1 585385788 574020737 /nfs/dbraw/zinc/02/07/37/574020737.db2.gz GWXPLBSMGIMZPZ-NXEZZACHSA-N 1 1 198.241 1.963 10 0 ADAEMO CC[N@H+](C1CNC1)[C@@H]1CCC[C@@H]1C 85258834 574020838 /nfs/dbraw/zinc/02/08/38/574020838.db2.gz VAIYJIHPAZQHHM-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO CC[N@@H+](C1CNC1)[C@@H]1CCC[C@@H]1C 85258834 574020841 /nfs/dbraw/zinc/02/08/41/574020841.db2.gz VAIYJIHPAZQHHM-GXSJLCMTSA-N 1 1 182.311 1.469 10 0 ADAEMO [NH3+]Cc1cnc([C@H]2CCCCS2)[nH]1 87716542 574020919 /nfs/dbraw/zinc/02/09/19/574020919.db2.gz SJIOSCXWVNSZEN-MRVPVSSYSA-N 1 1 197.307 1.827 10 0 ADAEMO CC[C@@H](C(C)C)[N@H+](C)C1CNC1 85257083 574020924 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CC(C)C[N@H+]1C2CC(C2)[C@@H]1CN 258524293 574023839 /nfs/dbraw/zinc/02/38/39/574023839.db2.gz MRSYVNGZRXMJIW-RTBKNWGFSA-N 1 1 168.284 1.064 10 0 ADAEMO CCN[C@]1(C(F)(F)F)CC[N@H+](C)C1 85277315 574023918 /nfs/dbraw/zinc/02/39/18/574023918.db2.gz JJYJKDMHICECCM-SSDOTTSWSA-N 1 1 196.216 1.233 10 0 ADAEMO CCN[C@]1(C(F)(F)F)CC[N@@H+](C)C1 85277315 574023921 /nfs/dbraw/zinc/02/39/21/574023921.db2.gz JJYJKDMHICECCM-SSDOTTSWSA-N 1 1 196.216 1.233 10 0 ADAEMO CC(C)C[N@H+]1C2CC(C2)[C@H]1CN 258524295 574023952 /nfs/dbraw/zinc/02/39/52/574023952.db2.gz MRSYVNGZRXMJIW-UDNWOFFPSA-N 1 1 168.284 1.064 10 0 ADAEMO CC[N@H+]1CCC[C@H]1Cc1cccnn1 259277820 574023957 /nfs/dbraw/zinc/02/39/57/574023957.db2.gz BGIKEUUQOBTSIE-NSHDSACASA-N 1 1 191.278 1.503 10 0 ADAEMO CCn1cncc1[C@H]1[NH2+][C@H](C)CS1 85309763 574032574 /nfs/dbraw/zinc/03/25/74/574032574.db2.gz SIZGFKHADCVPAQ-APPZFPTMSA-N 1 1 197.307 1.627 10 0 ADAEMO O=C1CC[N@H+]2CCC[C@@H]2C12CC2 143718794 574032720 /nfs/dbraw/zinc/03/27/20/574032720.db2.gz 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IBQGXMNIBNVHEL-QMMMGPOBSA-N 1 1 192.266 1.507 10 0 ADAEMO C[N@@H+](CCCCC(N)=S)C1CC1 49582593 574044562 /nfs/dbraw/zinc/04/45/62/574044562.db2.gz RBRGKAQHFTZCRW-UHFFFAOYSA-N 1 1 186.324 1.537 10 0 ADAEMO C[C@H]([NH3+])C(=O)c1cc2ccoc2cn1 214594044 574044573 /nfs/dbraw/zinc/04/45/73/574044573.db2.gz YRFBEJZIDYZOTN-LURJTMIESA-N 1 1 190.202 1.358 10 0 ADAEMO C[C@H]([NH3+])C(=O)OCCc1cccs1 49585120 574044581 /nfs/dbraw/zinc/04/45/81/574044581.db2.gz JAYDGNWSSPDXLR-ZETCQYMHSA-N 1 1 199.275 1.181 10 0 ADAEMO Cc1c[nH+]c(N)nc1N[C@H](C)C1CC1 87811948 574044582 /nfs/dbraw/zinc/04/45/82/574044582.db2.gz KNMVXELVGBKNNC-SSDOTTSWSA-N 1 1 192.266 1.578 10 0 ADAEMO Cc1nc(N)cc(NCC(C)(C)C)[nH+]1 87820590 574044587 /nfs/dbraw/zinc/04/45/87/574044587.db2.gz JOKPCZCFSZOHEJ-UHFFFAOYSA-N 1 1 194.282 1.825 10 0 ADAEMO CNCC[N@H+](C)[C@H]1CCC[C@H]1C1CC1 393613878 574045175 /nfs/dbraw/zinc/04/51/75/574045175.db2.gz UBOFNJZKBDGHNJ-RYUDHWBXSA-N 1 1 196.338 1.716 10 0 ADAEMO CNCC[N@@H+](C)[C@H]1CCC[C@H]1C1CC1 393613878 574045176 /nfs/dbraw/zinc/04/51/76/574045176.db2.gz UBOFNJZKBDGHNJ-RYUDHWBXSA-N 1 1 196.338 1.716 10 0 ADAEMO Cc1nc(N)cc(N[C@H]2C[C@H]2C)[nH+]1 87827205 574044622 /nfs/dbraw/zinc/04/46/22/574044622.db2.gz ZZISRICXSYUDFF-VDTYLAMSSA-N 1 1 178.239 1.188 10 0 ADAEMO CNc1cc(N[C@@H]2C[C@@H]2C)[nH+]c(C)n1 87827324 574044626 /nfs/dbraw/zinc/04/46/26/574044626.db2.gz NNUYXIRHJVTNCY-POYBYMJQSA-N 1 1 192.266 1.647 10 0 ADAEMO CNc1nc(N2CCC[C@H]2C)cc[nH+]1 87820266 574044633 /nfs/dbraw/zinc/04/46/33/574044633.db2.gz IBQGXMNIBNVHEL-MRVPVSSYSA-N 1 1 192.266 1.507 10 0 ADAEMO CCNc1nc(NC2CCC2)cc[nH+]1 87827141 574044644 /nfs/dbraw/zinc/04/46/44/574044644.db2.gz OHGNKUBWKSAKNS-UHFFFAOYSA-N 1 1 192.266 1.873 10 0 ADAEMO CNc1nc(NCCSC)cc[nH+]1 87830628 574044657 /nfs/dbraw/zinc/04/46/57/574044657.db2.gz RCAWHUJSDNHSOY-UHFFFAOYSA-N 1 1 198.295 1.293 10 0 ADAEMO Cc1[nH+]ccn1CCCCC(N)=S 49582868 574044670 /nfs/dbraw/zinc/04/46/70/574044670.db2.gz DUFDZGPXYLWMPJ-UHFFFAOYSA-N 1 1 197.307 1.648 10 0 ADAEMO Cc1c[nH+]c(N)nc1NC1CCC1 87827132 574044694 /nfs/dbraw/zinc/04/46/94/574044694.db2.gz FCFMXAKLLYWTRT-UHFFFAOYSA-N 1 1 178.239 1.332 10 0 ADAEMO Cc1c(N[C@H]2C[C@@H]2C)nc[nH+]c1N 87827460 574044699 /nfs/dbraw/zinc/04/46/99/574044699.db2.gz IUPDSIHMBBOHSZ-FSPLSTOPSA-N 1 1 178.239 1.188 10 0 ADAEMO C[C@H]1C[C@@H]1CN(C)c1cc[nH+]c(N)n1 87830453 574044713 /nfs/dbraw/zinc/04/47/13/574044713.db2.gz OWTPZXCNAHGOHX-JGVFFNPUSA-N 1 1 192.266 1.151 10 0 ADAEMO CCNc1nc(N[C@H]2C[C@@H]2C)cc[nH+]1 87827636 574044733 /nfs/dbraw/zinc/04/47/33/574044733.db2.gz UMTJJZKMBJQZLM-YUMQZZPRSA-N 1 1 192.266 1.729 10 0 ADAEMO Cc1nc(N)cc(N(C)CC2CC2)[nH+]1 87820421 574044746 /nfs/dbraw/zinc/04/47/46/574044746.db2.gz KMMQGSNHSVDSKZ-UHFFFAOYSA-N 1 1 192.266 1.213 10 0 ADAEMO CC[C@H](C)CNc1cc(N)nc(C)[nH+]1 87828100 574044751 /nfs/dbraw/zinc/04/47/51/574044751.db2.gz VLSPHQSHIWFFCD-ZETCQYMHSA-N 1 1 194.282 1.825 10 0 ADAEMO Cc1c(N[C@@H]2CC2(C)C)nc[nH+]c1N 87825754 574044768 /nfs/dbraw/zinc/04/47/68/574044768.db2.gz JCJRTOZVEHROKC-SSDOTTSWSA-N 1 1 192.266 1.578 10 0 ADAEMO Cc1nc(N)c(C)c(N[C@@H]2C[C@@H]2C)[nH+]1 87827618 574044821 /nfs/dbraw/zinc/04/48/21/574044821.db2.gz CUSPOBAVBSZVIA-YLWLKBPMSA-N 1 1 192.266 1.496 10 0 ADAEMO Cc1c[nH+]c(N)nc1N(C)CC1CC1 87820490 574044830 /nfs/dbraw/zinc/04/48/30/574044830.db2.gz BJPNBRJJAMDAMC-UHFFFAOYSA-N 1 1 192.266 1.213 10 0 ADAEMO CNc1nc(N[C@@H](C)C2CC2)cc[nH+]1 87811995 574044833 /nfs/dbraw/zinc/04/48/33/574044833.db2.gz QDBUWLAFEAEDRK-ZETCQYMHSA-N 1 1 192.266 1.729 10 0 ADAEMO CC[C@@H]1CCCN1c1cc[nH+]c(N)n1 87820407 574044854 /nfs/dbraw/zinc/04/48/54/574044854.db2.gz KWTWKAYYXSMILS-MRVPVSSYSA-N 1 1 192.266 1.438 10 0 ADAEMO C[C@H]1C[C@@H]1CN(C)c1cc(N)[nH+]cn1 87830365 574044858 /nfs/dbraw/zinc/04/48/58/574044858.db2.gz ZHCIFIZZRRMPQM-JGVFFNPUSA-N 1 1 192.266 1.151 10 0 ADAEMO CNc1nc(N[C@@H]2C[C@H]2C)c(C)c[nH+]1 87827561 574044867 /nfs/dbraw/zinc/04/48/67/574044867.db2.gz DPBGEOPOFWCHCO-HTRCEHHLSA-N 1 1 192.266 1.647 10 0 ADAEMO Cc1c[nH+]c(N)nc1N[C@H]1C[C@@H]1C 87827598 574044884 /nfs/dbraw/zinc/04/48/84/574044884.db2.gz HTWSKIWQOBRNBC-FSPLSTOPSA-N 1 1 178.239 1.188 10 0 ADAEMO CCNc1nc(N[C@@H]2C[C@@H]2C)cc[nH+]1 87827634 574044888 /nfs/dbraw/zinc/04/48/88/574044888.db2.gz UMTJJZKMBJQZLM-JGVFFNPUSA-N 1 1 192.266 1.729 10 0 ADAEMO C[C@@H]1C[C@@H]1CN(C)c1cc(N)[nH+]cn1 87830364 574044895 /nfs/dbraw/zinc/04/48/95/574044895.db2.gz ZHCIFIZZRRMPQM-HTQZYQBOSA-N 1 1 192.266 1.151 10 0 ADAEMO Cc1c(NC2CCC2)nc[nH+]c1N 87827100 574044916 /nfs/dbraw/zinc/04/49/16/574044916.db2.gz QNZOOBSCWRLQHV-UHFFFAOYSA-N 1 1 178.239 1.332 10 0 ADAEMO CCC[N@@H+](C)CCCCC(N)=S 49582609 574044933 /nfs/dbraw/zinc/04/49/33/574044933.db2.gz QBGGJOPZGHOCTB-UHFFFAOYSA-N 1 1 188.340 1.785 10 0 ADAEMO CC1(Nc2cc(N)[nH+]cn2)CCCC1 87831669 574044934 /nfs/dbraw/zinc/04/49/34/574044934.db2.gz YQUOVOFCJMHKGI-UHFFFAOYSA-N 1 1 192.266 1.803 10 0 ADAEMO CC1(Nc2cc(N)nc[nH+]2)CCCC1 87831669 574044936 /nfs/dbraw/zinc/04/49/36/574044936.db2.gz YQUOVOFCJMHKGI-UHFFFAOYSA-N 1 1 192.266 1.803 10 0 ADAEMO CNc1nc(N)c2ccccc2[nH+]1 87821073 574044946 /nfs/dbraw/zinc/04/49/46/574044946.db2.gz ZJSKGXHXRSURQN-UHFFFAOYSA-N 1 1 174.207 1.254 10 0 ADAEMO CNc1nc(N[C@H]2C[C@@H]2C)c(C)c[nH+]1 87827559 574044950 /nfs/dbraw/zinc/04/49/50/574044950.db2.gz DPBGEOPOFWCHCO-XPUUQOCRSA-N 1 1 192.266 1.647 10 0 ADAEMO CNc1cc(N[C@H]2C[C@@H]2C)nc[nH+]1 87827350 574044954 /nfs/dbraw/zinc/04/49/54/574044954.db2.gz QCBLXAYKDZMOCQ-BQBZGAKWSA-N 1 1 178.239 1.339 10 0 ADAEMO CC(C)[C@@H](C)CNc1cc(N)[nH+]cn1 87831472 574044959 /nfs/dbraw/zinc/04/49/59/574044959.db2.gz PYATYLVHXQSMMF-QMMMGPOBSA-N 1 1 194.282 1.763 10 0 ADAEMO CC(C)[C@@H](C)CNc1cc(N)nc[nH+]1 87831472 574044961 /nfs/dbraw/zinc/04/49/61/574044961.db2.gz PYATYLVHXQSMMF-QMMMGPOBSA-N 1 1 194.282 1.763 10 0 ADAEMO CC[C@H](C)CNc1cc(N)[nH+]cn1 87828092 574044977 /nfs/dbraw/zinc/04/49/77/574044977.db2.gz XJQZBGCTBPDABX-ZETCQYMHSA-N 1 1 180.255 1.517 10 0 ADAEMO CC[C@H](C)CNc1cc(N)nc[nH+]1 87828092 574044978 /nfs/dbraw/zinc/04/49/78/574044978.db2.gz XJQZBGCTBPDABX-ZETCQYMHSA-N 1 1 180.255 1.517 10 0 ADAEMO C[C@H]([NH3+])C(=O)OCc1cccs1 49584745 574044995 /nfs/dbraw/zinc/04/49/95/574044995.db2.gz YCUDNJYIKHJUDX-LURJTMIESA-N 1 1 185.248 1.139 10 0 ADAEMO CNc1cc(NCC(C)(C)C)nc[nH+]1 87820621 574045005 /nfs/dbraw/zinc/04/50/05/574045005.db2.gz NELOAPQBJORONS-UHFFFAOYSA-N 1 1 194.282 1.976 10 0 ADAEMO CNc1cc(NCC(C)(C)C)[nH+]cn1 87820621 574045006 /nfs/dbraw/zinc/04/50/06/574045006.db2.gz NELOAPQBJORONS-UHFFFAOYSA-N 1 1 194.282 1.976 10 0 ADAEMO CSCCNc1nc(N)[nH+]cc1C 87830611 574045015 /nfs/dbraw/zinc/04/50/15/574045015.db2.gz WKWIYNGIGGOGHH-UHFFFAOYSA-N 1 1 198.295 1.142 10 0 ADAEMO CC(C)[N@@H+](C)CCCCC(N)=S 49582522 574045028 /nfs/dbraw/zinc/04/50/28/574045028.db2.gz TXWQAXQJLNPWKE-UHFFFAOYSA-N 1 1 188.340 1.783 10 0 ADAEMO Cc1c(SC(C)C)nc[nH+]c1NN 87892140 574048228 /nfs/dbraw/zinc/04/82/28/574048228.db2.gz MPRDLMDXZAKVSX-UHFFFAOYSA-N 1 1 198.295 1.571 10 0 ADAEMO CSc1nc(NN)[nH+]cc1Cl 87892457 574048233 /nfs/dbraw/zinc/04/82/33/574048233.db2.gz URHVZHCWYSACMZ-UHFFFAOYSA-N 1 1 190.659 1.138 10 0 ADAEMO CSc1nc[nH+]c(NN)c1C(C)C 87892434 574048404 /nfs/dbraw/zinc/04/84/04/574048404.db2.gz ALSVMUZDROCIGV-UHFFFAOYSA-N 1 1 198.295 1.608 10 0 ADAEMO CCc1c(SC)nc[nH+]c1NN 87892495 574048455 /nfs/dbraw/zinc/04/84/55/574048455.db2.gz AZRGSPQKTVEMJV-UHFFFAOYSA-N 1 1 184.268 1.047 10 0 ADAEMO CCCSc1nc[nH+]c(NN)c1C 87889950 574048532 /nfs/dbraw/zinc/04/85/32/574048532.db2.gz CRESKRZOQBFQTQ-UHFFFAOYSA-N 1 1 198.295 1.573 10 0 ADAEMO CC(C)[C@H](C)Nc1cncc(NN)[nH+]1 87884323 574048606 /nfs/dbraw/zinc/04/86/06/574048606.db2.gz FOQPCHMQHJCHQI-ZETCQYMHSA-N 1 1 195.270 1.219 10 0 ADAEMO CCCc1c(SC)nc[nH+]c1NN 87892479 574048619 /nfs/dbraw/zinc/04/86/19/574048619.db2.gz MZUJQZGMNZJVJQ-UHFFFAOYSA-N 1 1 198.295 1.437 10 0 ADAEMO CC[C@H]1CC[N@H+]1CC(C)(C)O 307366718 517833118 /nfs/dbraw/zinc/83/31/18/517833118.db2.gz LEVRBNXAXPGMIA-QMMMGPOBSA-N 1 1 157.257 1.242 10 0 ADAEMO CNC(=O)CC[N@H+]1CCCCC[C@H]1C 334269923 517956160 /nfs/dbraw/zinc/95/61/60/517956160.db2.gz DTPBGJKCLKFQPS-SNVBAGLBSA-N 1 1 198.310 1.387 10 0 ADAEMO CC1(C)C[C@@H]1[NH2+]C[C@](C)(N)C1CC1 45137661 518185281 /nfs/dbraw/zinc/18/52/81/518185281.db2.gz IRPLGPGPKICNHJ-ONGXEEELSA-N 1 1 182.311 1.502 10 0 ADAEMO O[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC12CC2 334884644 518203567 /nfs/dbraw/zinc/20/35/67/518203567.db2.gz KWIAJIWDWHQERH-GHMZBOCLSA-N 1 1 193.290 1.552 10 0 ADAEMO CCC[C@H]([NH3+])c1nc([C@@H]2C[C@H]2C)no1 232009449 630747689 /nfs/dbraw/zinc/74/76/89/630747689.db2.gz GUGUAMQTAYEZNT-PRJMDXOYSA-N 1 1 195.266 1.993 10 0 ADAEMO CCC[C@H](C)[N@@H+]1C[C@H](CC)[C@@H](O)C1 388329502 538431446 /nfs/dbraw/zinc/43/14/46/538431446.db2.gz DEUQTJWPQMXWPC-DCAQKATOSA-N 1 1 185.311 1.878 10 0 ADAEMO CC(C)CC[N@H+]1CC[C@@H](N(C)C)C1 388738701 538436635 /nfs/dbraw/zinc/43/66/35/538436635.db2.gz XHFXFWYETGOXJP-LLVKDONJSA-N 1 1 184.327 1.668 10 0 ADAEMO CC[C@@H](C)C[N@@H+](C)CC1(CO)CC1 388709488 538436642 /nfs/dbraw/zinc/43/66/42/538436642.db2.gz PDLBVPOYSYQWFC-SNVBAGLBSA-N 1 1 185.311 1.737 10 0 ADAEMO CCC[NH2+][C@@H]1CCN(CC)[C@@H](C)C1 219776254 520022716 /nfs/dbraw/zinc/02/27/16/520022716.db2.gz BJAWYUUOTGPVGF-WDEREUQCSA-N 1 1 184.327 1.859 10 0 ADAEMO CCC[NH2+][C@H]1CCN(CC)[C@@H](C)C1 219776324 520093744 /nfs/dbraw/zinc/09/37/44/520093744.db2.gz BJAWYUUOTGPVGF-QWRGUYRKSA-N 1 1 184.327 1.859 10 0 ADAEMO CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 219746185 520118552 /nfs/dbraw/zinc/11/85/52/520118552.db2.gz GFIXYKWAEVBRHO-DTWKUNHWSA-N 1 1 156.273 1.079 10 0 ADAEMO CC[NH2+][C@@H]1CCN(CC)[C@@H](C)C1 219776080 520118978 /nfs/dbraw/zinc/11/89/78/520118978.db2.gz UPDYRBLXXJCEPE-VHSXEESVSA-N 1 1 170.300 1.469 10 0 ADAEMO CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 219746246 520216235 /nfs/dbraw/zinc/21/62/35/520216235.db2.gz GFIXYKWAEVBRHO-IUCAKERBSA-N 1 1 156.273 1.079 10 0 ADAEMO CC[NH2+][C@H]1CCN(CC)[C@@H](C)C1 219776155 520216581 /nfs/dbraw/zinc/21/65/81/520216581.db2.gz UPDYRBLXXJCEPE-UWVGGRQHSA-N 1 1 170.300 1.469 10 0 ADAEMO C[C@@H]1C[C@@H](N(C)CCF)CC[N@H+]1C 306547757 629656677 /nfs/dbraw/zinc/65/66/77/629656677.db2.gz GCMLIBDPRNQSED-ZJUUUORDSA-N 1 1 188.290 1.370 10 0 ADAEMO C[C@H]1C[C@@H](N(C)CCF)CC[N@H+]1C 306547744 629656913 /nfs/dbraw/zinc/65/69/13/629656913.db2.gz GCMLIBDPRNQSED-UWVGGRQHSA-N 1 1 188.290 1.370 10 0 ADAEMO C[C@@H]1C[C@H](N(C)CCF)CC[N@H+]1C 306547737 629657206 /nfs/dbraw/zinc/65/72/06/629657206.db2.gz GCMLIBDPRNQSED-NXEZZACHSA-N 1 1 188.290 1.370 10 0 ADAEMO CC1(C)CC[N@H+]1Cc1cncnc1 306541064 629657708 /nfs/dbraw/zinc/65/77/08/629657708.db2.gz PJADWNPFDVBVNG-UHFFFAOYSA-N 1 1 177.251 1.461 10 0 ADAEMO C[C@H]1C[C@H](N(C)CCF)CC[N@H+]1C 306547751 629658783 /nfs/dbraw/zinc/65/87/83/629658783.db2.gz GCMLIBDPRNQSED-VHSXEESVSA-N 1 1 188.290 1.370 10 0 ADAEMO C[C@H](CO)C[N@H+]1C[C@H](C)CC1(C)C 306583001 629662754 /nfs/dbraw/zinc/66/27/54/629662754.db2.gz DQMDKARZQNPIRI-ZJUUUORDSA-N 1 1 185.311 1.735 10 0 ADAEMO FCC[NH2+][C@H]1CCc2cccnc21 306650633 629665969 /nfs/dbraw/zinc/66/59/69/629665969.db2.gz FISHBYAIBHLMFU-VIFPVBQESA-N 1 1 180.226 1.628 10 0 ADAEMO CC1(C)OCC[C@H]1[NH2+]Cc1c[nH]cn1 306629333 629666178 /nfs/dbraw/zinc/66/61/78/629666178.db2.gz LCWUCCXCLJOJKA-SECBINFHSA-N 1 1 195.266 1.067 10 0 ADAEMO FCC[N@H+]1C[C@H]2CC=CC[C@H]2C1 306625820 629667374 /nfs/dbraw/zinc/66/73/74/629667374.db2.gz HKCAUKIFVKWUTG-AOOOYVTPSA-N 1 1 169.243 1.854 10 0 ADAEMO FCC[NH2+][C@@H]1CCc2cccnc21 306650632 629667674 /nfs/dbraw/zinc/66/76/74/629667674.db2.gz FISHBYAIBHLMFU-SECBINFHSA-N 1 1 180.226 1.628 10 0 ADAEMO C[C@H](CO)C[N@H+]1CCC2(CCCC2)C1 306689157 629668910 /nfs/dbraw/zinc/66/89/10/629668910.db2.gz KKTYWWRSBPEPJN-NSHDSACASA-N 1 1 197.322 1.881 10 0 ADAEMO FCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 306687858 629668995 /nfs/dbraw/zinc/66/89/95/629668995.db2.gz IJKCUKNIHMLEQB-VHSXEESVSA-N 1 1 187.258 1.599 10 0 ADAEMO FCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 306687858 629668998 /nfs/dbraw/zinc/66/89/98/629668998.db2.gz IJKCUKNIHMLEQB-VHSXEESVSA-N 1 1 187.258 1.599 10 0 ADAEMO c1cc(C[N@H+]2CC[C@H]3C[C@H]32)ccn1 306686221 629669738 /nfs/dbraw/zinc/66/97/38/629669738.db2.gz FWTHTDJDQHDXAB-WDEREUQCSA-N 1 1 174.247 1.676 10 0 ADAEMO c1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)ccn1 306686219 629669814 /nfs/dbraw/zinc/66/98/14/629669814.db2.gz FWTHTDJDQHDXAB-MNOVXSKESA-N 1 1 174.247 1.676 10 0 ADAEMO COC(=O)C[N@H+]1C[C@H]2CC=CC[C@H]2C1 306716199 629670045 /nfs/dbraw/zinc/67/00/45/629670045.db2.gz BDBJKIYUZXISSQ-AOOOYVTPSA-N 1 1 195.262 1.057 10 0 ADAEMO CSCC[N@@H+](C)CCCF 306685363 629670171 /nfs/dbraw/zinc/67/01/71/629670171.db2.gz DVSVJFHWAJOTAM-UHFFFAOYSA-N 1 1 165.277 1.641 10 0 ADAEMO FCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 306687859 629670342 /nfs/dbraw/zinc/67/03/42/629670342.db2.gz IJKCUKNIHMLEQB-ZJUUUORDSA-N 1 1 187.258 1.599 10 0 ADAEMO FCC[N@H+]1CCO[C@H]2CCCC[C@H]21 306687859 629670349 /nfs/dbraw/zinc/67/03/49/629670349.db2.gz IJKCUKNIHMLEQB-ZJUUUORDSA-N 1 1 187.258 1.599 10 0 ADAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCF 306666721 629670408 /nfs/dbraw/zinc/67/04/08/629670408.db2.gz AAYHZHMUJAQLDE-UWVGGRQHSA-N 1 1 186.274 1.124 10 0 ADAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCF 306666726 629670939 /nfs/dbraw/zinc/67/09/39/629670939.db2.gz AAYHZHMUJAQLDE-VHSXEESVSA-N 1 1 186.274 1.124 10 0 ADAEMO FCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 306687857 629671644 /nfs/dbraw/zinc/67/16/44/629671644.db2.gz IJKCUKNIHMLEQB-UWVGGRQHSA-N 1 1 187.258 1.599 10 0 ADAEMO FCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 306687857 629671647 /nfs/dbraw/zinc/67/16/47/629671647.db2.gz IJKCUKNIHMLEQB-UWVGGRQHSA-N 1 1 187.258 1.599 10 0 ADAEMO c1n[nH]c2c1[C@H]([NH2+]C1CCC1)CCC2 306694635 629672774 /nfs/dbraw/zinc/67/27/74/629672774.db2.gz TVOFYVZQSYZDNH-SNVBAGLBSA-N 1 1 191.278 1.929 10 0 ADAEMO CC1(C)C[N@H+](CCCF)C[C@H]1N 306743113 629673533 /nfs/dbraw/zinc/67/35/33/629673533.db2.gz WQALCDXPEDEIBZ-MRVPVSSYSA-N 1 1 174.263 1.015 10 0 ADAEMO CC1(C)C[N@@H+](CCCF)C[C@H]1N 306743113 629673539 /nfs/dbraw/zinc/67/35/39/629673539.db2.gz WQALCDXPEDEIBZ-MRVPVSSYSA-N 1 1 174.263 1.015 10 0 ADAEMO CC1(C)C[N@@H+](CCC2CCC2)C[C@H]1N 306693756 629673582 /nfs/dbraw/zinc/67/35/82/629673582.db2.gz UBXLTJHJNALWLF-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO CC1(C)CN(CCC2CCC2)C[C@H]1[NH3+] 306693756 629673595 /nfs/dbraw/zinc/67/35/95/629673595.db2.gz UBXLTJHJNALWLF-LLVKDONJSA-N 1 1 196.338 1.846 10 0 ADAEMO C[N@@H+](Cc1cnc(N)cn1)C(C)(C)C 306749594 629673670 /nfs/dbraw/zinc/67/36/70/629673670.db2.gz LVSWVXRTLZTCJK-UHFFFAOYSA-N 1 1 194.282 1.289 10 0 ADAEMO CC1(C)C[N@H+](CCCF)C[C@@H]1N 306743114 629673757 /nfs/dbraw/zinc/67/37/57/629673757.db2.gz WQALCDXPEDEIBZ-QMMMGPOBSA-N 1 1 174.263 1.015 10 0 ADAEMO CC1(C)C[N@@H+](CCCF)C[C@@H]1N 306743114 629673766 /nfs/dbraw/zinc/67/37/66/629673766.db2.gz WQALCDXPEDEIBZ-QMMMGPOBSA-N 1 1 174.263 1.015 10 0 ADAEMO CC[N@@H+](C)C[C@@H]1CCC=CO1 306720200 629674035 /nfs/dbraw/zinc/67/40/35/629674035.db2.gz ZBOAHXVRPNDYIO-VIFPVBQESA-N 1 1 155.241 1.631 10 0 ADAEMO CC[N@H+]1CC[C@@H](NC(=O)C=C(C)C)C1 306693189 629674498 /nfs/dbraw/zinc/67/44/98/629674498.db2.gz SPFAGZWPSZNPFG-SNVBAGLBSA-N 1 1 196.294 1.163 10 0 ADAEMO CC1(C)C[N@@H+](CCC2CCC2)C[C@@H]1N 306693757 629675633 /nfs/dbraw/zinc/67/56/33/629675633.db2.gz UBXLTJHJNALWLF-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO CC1(C)CN(CCC2CCC2)C[C@@H]1[NH3+] 306693757 629675658 /nfs/dbraw/zinc/67/56/58/629675658.db2.gz UBXLTJHJNALWLF-NSHDSACASA-N 1 1 196.338 1.846 10 0 ADAEMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccno1 306769725 629677705 /nfs/dbraw/zinc/67/77/05/629677705.db2.gz AHYUXIDZXHVXMT-PSASIEDQSA-N 1 1 196.250 1.020 10 0 ADAEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccoc1 306828777 629677768 /nfs/dbraw/zinc/67/77/68/629677768.db2.gz GFCIYVNPOBIDMS-GXSJLCMTSA-N 1 1 195.262 1.625 10 0 ADAEMO C[C@H]1C[N@H+](CCN2CCCC2)[C@@H]1C 306842657 629677903 /nfs/dbraw/zinc/67/79/03/629677903.db2.gz CLONHCXQWLKKJI-WDEREUQCSA-N 1 1 182.311 1.422 10 0 ADAEMO C[C@H]1C[N@@H+](CCN2CCCC2)[C@@H]1C 306842657 629677905 /nfs/dbraw/zinc/67/79/05/629677905.db2.gz CLONHCXQWLKKJI-WDEREUQCSA-N 1 1 182.311 1.422 10 0 ADAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccoc1 306828780 629677971 /nfs/dbraw/zinc/67/79/71/629677971.db2.gz GFCIYVNPOBIDMS-ONGXEEELSA-N 1 1 195.262 1.625 10 0 ADAEMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccoc2)C1 306781649 629678350 /nfs/dbraw/zinc/67/83/50/629678350.db2.gz FIFYUIASNPMYRS-KOLCDFICSA-N 1 1 195.262 1.482 10 0 ADAEMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccoc1 306828778 629678778 /nfs/dbraw/zinc/67/87/78/629678778.db2.gz GFCIYVNPOBIDMS-KOLCDFICSA-N 1 1 195.262 1.625 10 0 ADAEMO C[C@H]1C[N@H+](CCN2CCCC2)[C@H]1C 306842655 629679161 /nfs/dbraw/zinc/67/91/61/629679161.db2.gz CLONHCXQWLKKJI-QWRGUYRKSA-N 1 1 182.311 1.422 10 0 ADAEMO C[C@H]1C[N@@H+](CCN2CCCC2)[C@H]1C 306842655 629679163 /nfs/dbraw/zinc/67/91/63/629679163.db2.gz CLONHCXQWLKKJI-QWRGUYRKSA-N 1 1 182.311 1.422 10 0 ADAEMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccoc2)C1 306781646 629679631 /nfs/dbraw/zinc/67/96/31/629679631.db2.gz FIFYUIASNPMYRS-GXSJLCMTSA-N 1 1 195.262 1.482 10 0 ADAEMO O[C@@H](C[N@H+]1CCC2(CCC2)C1)C1CC1 306858797 629681589 /nfs/dbraw/zinc/68/15/89/629681589.db2.gz ZZGHLQMWERXYRT-NSHDSACASA-N 1 1 195.306 1.633 10 0 ADAEMO C[C@H]1C[C@@H](CO)CC[N@H+]1CCF 306866746 629681780 /nfs/dbraw/zinc/68/17/80/629681780.db2.gz OGJLGLJJGTVBMK-IUCAKERBSA-N 1 1 175.247 1.049 10 0 ADAEMO CC1(C)C[C@H]([NH2+]Cc2c[nH]cn2)CO1 306897947 629681968 /nfs/dbraw/zinc/68/19/68/629681968.db2.gz VPVHJRJAOYVDEB-QMMMGPOBSA-N 1 1 195.266 1.067 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@@H+]1CCN1CCCC1 306926197 629682494 /nfs/dbraw/zinc/68/24/94/629682494.db2.gz PICOUWZYUAIVJQ-PHIMTYICSA-N 1 1 182.311 1.565 10 0 ADAEMO C[C@H]1C[C@@H](C)[N@H+]1CCN1CCCC1 306926197 629682498 /nfs/dbraw/zinc/68/24/98/629682498.db2.gz PICOUWZYUAIVJQ-PHIMTYICSA-N 1 1 182.311 1.565 10 0 ADAEMO O[C@H](C[N@H+]1CCC2(CCC2)C1)C1CC1 306858796 629682717 /nfs/dbraw/zinc/68/27/17/629682717.db2.gz ZZGHLQMWERXYRT-LLVKDONJSA-N 1 1 195.306 1.633 10 0 ADAEMO C[N@H+](C1CCCCC1)[C@H]1COC[C@@H]1O 306874919 629682942 /nfs/dbraw/zinc/68/29/42/629682942.db2.gz FGMLMJJPGGFEBN-QWRGUYRKSA-N 1 1 199.294 1.011 10 0 ADAEMO C[N@H+](C1CCCCC1)[C@H]1COC[C@H]1O 306874921 629683153 /nfs/dbraw/zinc/68/31/53/629683153.db2.gz FGMLMJJPGGFEBN-WDEREUQCSA-N 1 1 199.294 1.011 10 0 ADAEMO Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](C)C2)o1 306892701 629683172 /nfs/dbraw/zinc/68/31/72/629683172.db2.gz HKUKRDGGHLBFEL-LDYMZIIASA-N 1 1 195.262 1.401 10 0 ADAEMO C[C@H]1C[C@H](C)[NH+]1CCN1CCCC1 306926198 629683507 /nfs/dbraw/zinc/68/35/07/629683507.db2.gz PICOUWZYUAIVJQ-QWRGUYRKSA-N 1 1 182.311 1.565 10 0 ADAEMO C[C@@H]1C[C@@H](C)[NH+]1CCN1CCCC1 306926196 629683683 /nfs/dbraw/zinc/68/36/83/629683683.db2.gz PICOUWZYUAIVJQ-GHMZBOCLSA-N 1 1 182.311 1.565 10 0 ADAEMO C[C@@H]1C[N@@H+](C[C@H](O)C2CC2)[C@H](C)[C@@H]1C 306958727 629684819 /nfs/dbraw/zinc/68/48/19/629684819.db2.gz WFVHMPJFXVZDFG-BFLSOPEQSA-N 1 1 197.322 1.734 10 0 ADAEMO CCCC[N@H+]1C[C@H](N)C(C)(C)C1 306937376 629684943 /nfs/dbraw/zinc/68/49/43/629684943.db2.gz LANFSUAPZYWBIN-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCN1C[C@H]([NH3+])C(C)(C)C1 306937376 629684966 /nfs/dbraw/zinc/68/49/66/629684966.db2.gz LANFSUAPZYWBIN-VIFPVBQESA-N 1 1 170.300 1.456 10 0 ADAEMO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCF 306950763 629685239 /nfs/dbraw/zinc/68/52/39/629685239.db2.gz FYFYPTNWZIHSEN-IUCAKERBSA-N 1 1 175.247 1.455 10 0 ADAEMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCF 306950763 629685246 /nfs/dbraw/zinc/68/52/46/629685246.db2.gz FYFYPTNWZIHSEN-IUCAKERBSA-N 1 1 175.247 1.455 10 0 ADAEMO C[C@@H]1C[N@@H+](C[C@H](O)C2CC2)[C@@H](C)[C@@H]1C 306958729 629685482 /nfs/dbraw/zinc/68/54/82/629685482.db2.gz WFVHMPJFXVZDFG-SVDPJWKOSA-N 1 1 197.322 1.734 10 0 ADAEMO CCCC[N@H+]1C[C@@H](N)C(C)(C)C1 306937375 629685509 /nfs/dbraw/zinc/68/55/09/629685509.db2.gz LANFSUAPZYWBIN-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO CCCCN1C[C@@H]([NH3+])C(C)(C)C1 306937375 629685526 /nfs/dbraw/zinc/68/55/26/629685526.db2.gz LANFSUAPZYWBIN-SECBINFHSA-N 1 1 170.300 1.456 10 0 ADAEMO C[C@@H]1C[N@@H+](C[C@H](O)C2CC2)[C@@H](C)[C@H]1C 306958730 629685560 /nfs/dbraw/zinc/68/55/60/629685560.db2.gz WFVHMPJFXVZDFG-WDCWCFNPSA-N 1 1 197.322 1.734 10 0 ADAEMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccno1 306942384 629685757 /nfs/dbraw/zinc/68/57/57/629685757.db2.gz IJEHLSLQUBXCNQ-BDAKNGLRSA-N 1 1 196.250 1.020 10 0 ADAEMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCF 306950761 629685925 /nfs/dbraw/zinc/68/59/25/629685925.db2.gz FYFYPTNWZIHSEN-DTWKUNHWSA-N 1 1 175.247 1.455 10 0 ADAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCF 306950761 629685927 /nfs/dbraw/zinc/68/59/27/629685927.db2.gz FYFYPTNWZIHSEN-DTWKUNHWSA-N 1 1 175.247 1.455 10 0 ADAEMO CC[C@H]1CO[C@H](C)C[N@@H+]1CCF 306950759 629685994 /nfs/dbraw/zinc/68/59/94/629685994.db2.gz FYFYPTNWZIHSEN-BDAKNGLRSA-N 1 1 175.247 1.455 10 0 ADAEMO CC[C@H]1CO[C@H](C)C[N@H+]1CCF 306950759 629686000 /nfs/dbraw/zinc/68/60/00/629686000.db2.gz FYFYPTNWZIHSEN-BDAKNGLRSA-N 1 1 175.247 1.455 10 0 ADAEMO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCF 306950765 629686100 /nfs/dbraw/zinc/68/61/00/629686100.db2.gz FYFYPTNWZIHSEN-RKDXNWHRSA-N 1 1 175.247 1.455 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231294986 630889489 /nfs/dbraw/zinc/88/94/89/630889489.db2.gz BSNBNKIYMYQDGK-UHFFFAOYSA-N 1 1 194.282 1.147 10 0 ADAEMO CCC[N@@H+](C)C[C@H]1CCC2(COC2)O1 929412140 630889952 /nfs/dbraw/zinc/88/99/52/630889952.db2.gz MGWLPJWACMTHIG-SNVBAGLBSA-N 1 1 199.294 1.276 10 0 ADAEMO CCC[N@@H+](C)C[C@@H]1CCC2(COC2)O1 929412139 630890089 /nfs/dbraw/zinc/89/00/89/630890089.db2.gz MGWLPJWACMTHIG-JTQLQIEISA-N 1 1 199.294 1.276 10 0 ADAEMO Oc1cncc(C[NH2+]CC2(F)CC2)c1 922975785 630891087 /nfs/dbraw/zinc/89/10/87/630891087.db2.gz MDCHQDUDZXQEJA-UHFFFAOYSA-N 1 1 196.225 1.379 10 0 ADAEMO CCC[N@@H+](CC)Cc1cn(CC)nn1 929366783 630892545 /nfs/dbraw/zinc/89/25/45/630892545.db2.gz FXJTWCKFWNZZRH-UHFFFAOYSA-N 1 1 196.298 1.530 10 0 ADAEMO C1CC2(C1)[NH2+]CC[C@@H]2NCCC1CC1 923399042 630896292 /nfs/dbraw/zinc/89/62/92/630896292.db2.gz NRXNUVRCDIRWCS-NSHDSACASA-N 1 1 194.322 1.661 10 0 ADAEMO C1CC2(C1)[NH2+]CC[C@H]2NCCC1CC1 923399039 630897615 /nfs/dbraw/zinc/89/76/15/630897615.db2.gz NRXNUVRCDIRWCS-LLVKDONJSA-N 1 1 194.322 1.661 10 0 ADAEMO C(C[NH2+]C1CC1)CN(C1CC1)C1CC1 923402033 630898300 /nfs/dbraw/zinc/89/83/00/630898300.db2.gz SNCCXAVMQWWLLZ-UHFFFAOYSA-N 1 1 194.322 1.755 10 0 ADAEMO NCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 923524975 630900464 /nfs/dbraw/zinc/90/04/64/630900464.db2.gz BUUIJTPWPKCRPP-VXGBXAGGSA-N 1 1 194.322 1.456 10 0 ADAEMO CCCC(N)=[NH+]OCc1ccnn1C 781153992 630917093 /nfs/dbraw/zinc/91/70/93/630917093.db2.gz DNCKAOOIHFGFEQ-UHFFFAOYSA-N 1 1 196.254 1.219 10 0 ADAEMO CCOC1CC(C[N@H+]2CC[C@@H]3C[C@@H]32)C1 795978009 630930585 /nfs/dbraw/zinc/93/05/85/630930585.db2.gz UJWZBWFLFJCWRT-RSJDFQLWSA-N 1 1 195.306 1.896 10 0 ADAEMO CCOC1CC(C[N@H+]2CC[C@H]3C[C@H]32)C1 795978007 630930768 /nfs/dbraw/zinc/93/07/68/630930768.db2.gz UJWZBWFLFJCWRT-POSLAHMBSA-N 1 1 195.306 1.896 10 0 ADAEMO CCCC[C@@H]1C[NH2+]C[C@@H](N)C1 757212302 630933409 /nfs/dbraw/zinc/93/34/09/630933409.db2.gz HYHGIDOAFIPZPJ-IUCAKERBSA-N 1 1 156.273 1.113 10 0 ADAEMO CCCC[C@@H]1C[NH2+]C[C@H](N)C1 757212301 630933568 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