smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+]1CC[C@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685953573 538898021 /nfs/dbraw/zinc/89/80/21/538898021.db2.gz IPDQFBPYUUAKGD-LBPRGKRZSA-N 2 1 224.392 2.767 10 0 BFAEMP C[N@H+]1CC[C@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000685953998 538898659 /nfs/dbraw/zinc/89/86/59/538898659.db2.gz KFEWITYVXVMMAX-NSHDSACASA-N 2 1 224.392 2.624 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955281 538900635 /nfs/dbraw/zinc/90/06/35/538900635.db2.gz XEFHJHVSJYSVAI-LBPRGKRZSA-N 2 1 224.392 2.768 10 0 BFAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685955141 538900838 /nfs/dbraw/zinc/90/08/38/538900838.db2.gz ULZDRCOAEHUBHH-RFQIPJPRSA-N 2 1 224.392 2.623 10 0 BFAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@]12C[C@H](C)CC[C@@H]2C ZINC000685955294 538900989 /nfs/dbraw/zinc/90/09/89/538900989.db2.gz XJQTYBFEUIBKIB-XJFOESAGSA-N 2 1 224.392 2.623 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000685952696 538896829 /nfs/dbraw/zinc/89/68/29/538896829.db2.gz CCNDXQBWRBZZJH-DYEKYZERSA-N 2 1 224.392 2.624 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC(C)(C)C2 ZINC000685952697 538896998 /nfs/dbraw/zinc/89/69/98/538896998.db2.gz CCNDXQBWRBZZJH-MBNYWOFBSA-N 2 1 224.392 2.624 10 0 BFAEMP C[N@@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000685953123 538897262 /nfs/dbraw/zinc/89/72/62/538897262.db2.gz GFWBJPCIVZVTBS-MBHSVXNSSA-N 2 1 224.392 2.624 10 0 BFAEMP C[N@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000685953123 538897264 /nfs/dbraw/zinc/89/72/64/538897264.db2.gz GFWBJPCIVZVTBS-MBHSVXNSSA-N 2 1 224.392 2.624 10 0 BFAEMP CCC(CC)(C[NH3+])C[N@H+]1CCCC[C@H]1C ZINC000051208822 168323109 /nfs/dbraw/zinc/32/31/09/168323109.db2.gz ZVOANWJGXIXBDM-GFCCVEGCSA-N 2 1 212.381 2.626 10 0 BFAEMP CCC(CC)(C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000019507447 168323526 /nfs/dbraw/zinc/32/35/26/168323526.db2.gz BQHLQIAIRJKCLB-UHFFFAOYSA-N 2 1 232.371 2.562 10 0 BFAEMP CCC(CC)(C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000019507447 168323528 /nfs/dbraw/zinc/32/35/28/168323528.db2.gz BQHLQIAIRJKCLB-UHFFFAOYSA-N 2 1 232.371 2.562 10 0 BFAEMP Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)oc1C[NH3+] ZINC000052420736 178005776 /nfs/dbraw/zinc/00/57/76/178005776.db2.gz OIKGBXFBECDBLG-PHIMTYICSA-N 2 1 236.359 2.525 10 0 BFAEMP CCC(CC)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019073 168360112 /nfs/dbraw/zinc/36/01/12/168360112.db2.gz GTHSQXWZPBMQQU-GOOCMWNKSA-N 2 1 238.419 2.885 10 0 BFAEMP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381579411 398264917 /nfs/dbraw/zinc/26/49/17/398264917.db2.gz BJUIXENQMJYMRL-NWDGAFQWSA-N 2 1 246.345 2.625 10 0 BFAEMP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381579411 398264920 /nfs/dbraw/zinc/26/49/20/398264920.db2.gz BJUIXENQMJYMRL-NWDGAFQWSA-N 2 1 246.345 2.625 10 0 BFAEMP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381579412 398264958 /nfs/dbraw/zinc/26/49/58/398264958.db2.gz BJUIXENQMJYMRL-RYUDHWBXSA-N 2 1 246.345 2.625 10 0 BFAEMP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381579412 398264960 /nfs/dbraw/zinc/26/49/60/398264960.db2.gz BJUIXENQMJYMRL-RYUDHWBXSA-N 2 1 246.345 2.625 10 0 BFAEMP CC[C@@H](C)n1cc[nH+]c1[C@H]1CC[C@H]([NH3+])CC1 ZINC000584883630 343086707 /nfs/dbraw/zinc/08/67/07/343086707.db2.gz XNYNFXOEMZXWPW-IJLUTSLNSA-N 2 1 221.348 2.839 10 0 BFAEMP CC(C)c1[nH+]ccn1CC[C@@H]1CCCC[NH2+]1 ZINC000041671406 343422672 /nfs/dbraw/zinc/42/26/72/343422672.db2.gz ZTMQKKKLBVLGRQ-LBPRGKRZSA-N 2 1 221.348 2.539 10 0 BFAEMP CCCC[C@@H](C[NH3+])Nc1cc[nH+]cc1Cl ZINC000087780261 343660518 /nfs/dbraw/zinc/66/05/18/343660518.db2.gz SRCUMBDAQOLTJO-VIFPVBQESA-N 2 1 227.739 2.664 10 0 BFAEMP CC[NH2+][C@H](C)CC[N@@H+](C)Cc1ccccc1 ZINC000043816531 344236866 /nfs/dbraw/zinc/23/68/66/344236866.db2.gz PNYRFQYUNGOLFQ-CYBMUJFWSA-N 2 1 220.360 2.507 10 0 BFAEMP C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH3+])c1cccs1 ZINC000248024759 345015354 /nfs/dbraw/zinc/01/53/54/345015354.db2.gz KYTWHDVLBNFCRS-AXFHLTTASA-N 2 1 224.373 2.669 10 0 BFAEMP C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C[NH3+] ZINC000634999021 345199182 /nfs/dbraw/zinc/19/91/82/345199182.db2.gz OXEMMGOJBZQOGZ-WBMJQRKESA-N 2 1 244.382 2.591 10 0 BFAEMP CC[N@@H+](CC[C@@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000137502869 345642486 /nfs/dbraw/zinc/64/24/86/345642486.db2.gz CCBRQAPNJYDIQY-OAHLLOKOSA-N 2 1 232.371 2.636 10 0 BFAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000042965996 179188669 /nfs/dbraw/zinc/18/86/69/179188669.db2.gz NVNUUOACZTYBKY-UKRRQHHQSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC(C)C)c1 ZINC000042965996 179188671 /nfs/dbraw/zinc/18/86/71/179188671.db2.gz NVNUUOACZTYBKY-UKRRQHHQSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+]2CC[C@H](C)C2)c1 ZINC000042966810 179203777 /nfs/dbraw/zinc/20/37/77/179203777.db2.gz ZDNUGBYZIWRPSM-YDHLFZDLSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+]2CC[C@H](C)C2)c1 ZINC000042966810 179203780 /nfs/dbraw/zinc/20/37/80/179203780.db2.gz ZDNUGBYZIWRPSM-YDHLFZDLSA-N 2 1 232.371 2.725 10 0 BFAEMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000390586296 347398157 /nfs/dbraw/zinc/39/81/57/347398157.db2.gz YIEGXIINZMXEQP-QWHCGFSZSA-N 2 1 226.408 2.743 10 0 BFAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)CC(C)C ZINC000043034516 179328242 /nfs/dbraw/zinc/32/82/42/179328242.db2.gz HRYOAXFPJKSTHN-DZGCQCFKSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)CC(C)C ZINC000043034516 179328244 /nfs/dbraw/zinc/32/82/44/179328244.db2.gz HRYOAXFPJKSTHN-DZGCQCFKSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1ccccc1[C@H](C)[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049667719 179334766 /nfs/dbraw/zinc/33/47/66/179334766.db2.gz QHXCTDGYGCHMKU-ZFWWWQNUSA-N 2 1 246.398 2.987 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+]1CC[C@H](C)C1 ZINC000043035986 179347279 /nfs/dbraw/zinc/34/72/79/179347279.db2.gz GHTKBWVHMZUQME-LNSITVRQSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+]1CC[C@H](C)C1 ZINC000043035986 179347282 /nfs/dbraw/zinc/34/72/82/179347282.db2.gz GHTKBWVHMZUQME-LNSITVRQSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+]1CCC[C@@H]1C ZINC000043035865 179347600 /nfs/dbraw/zinc/34/76/00/179347600.db2.gz WZSCFORODBZRDO-YDHLFZDLSA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+]1CCC[C@@H]1C ZINC000043035865 179347602 /nfs/dbraw/zinc/34/76/02/179347602.db2.gz WZSCFORODBZRDO-YDHLFZDLSA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1[nH+]cn([C@H]2CCCCC[C@@H]2C[NH3+])c1C ZINC000051926068 180289205 /nfs/dbraw/zinc/28/92/05/180289205.db2.gz YYBOPPZWTKWTCC-OLZOCXBDSA-N 2 1 221.348 2.580 10 0 BFAEMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1ccco1 ZINC000163037815 350496278 /nfs/dbraw/zinc/49/62/78/350496278.db2.gz SPQGVUIXAAMLHJ-ZIAGYGMSSA-N 2 1 248.370 2.901 10 0 BFAEMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccco1 ZINC000163037815 350496282 /nfs/dbraw/zinc/49/62/82/350496282.db2.gz SPQGVUIXAAMLHJ-ZIAGYGMSSA-N 2 1 248.370 2.901 10 0 BFAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccco1 ZINC000163037815 350496284 /nfs/dbraw/zinc/49/62/84/350496284.db2.gz SPQGVUIXAAMLHJ-ZIAGYGMSSA-N 2 1 248.370 2.901 10 0 BFAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000163037815 350496287 /nfs/dbraw/zinc/49/62/87/350496287.db2.gz SPQGVUIXAAMLHJ-ZIAGYGMSSA-N 2 1 248.370 2.901 10 0 BFAEMP CC[C@@H](C[NH2+]C)[N@H+](Cc1ccccc1)C(C)C ZINC000052417160 350991553 /nfs/dbraw/zinc/99/15/53/350991553.db2.gz OEKRBEJQOAXLFS-HNNXBMFYSA-N 2 1 234.387 2.895 10 0 BFAEMP CC[C@@H](C[NH2+]C)[N@@H+](Cc1ccccc1)C(C)C ZINC000052417160 350991556 /nfs/dbraw/zinc/99/15/56/350991556.db2.gz OEKRBEJQOAXLFS-HNNXBMFYSA-N 2 1 234.387 2.895 10 0 BFAEMP CC1(C)C[C@H]([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000306842269 351156380 /nfs/dbraw/zinc/15/63/80/351156380.db2.gz BQXLIEFALFGDOQ-CQSZACIVSA-N 2 1 232.371 2.636 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725269576 538101682 /nfs/dbraw/zinc/10/16/82/538101682.db2.gz AIIDWPGQQLBZLW-HKGGGCDWSA-N 2 1 236.403 2.624 10 0 BFAEMP CC(C)([NH3+])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000083332015 188270825 /nfs/dbraw/zinc/27/08/25/188270825.db2.gz PPEZGPAUDKMWNW-AWEZNQCLSA-N 2 1 232.371 2.636 10 0 BFAEMP Cc1[nH+]ccn1CC[NH2+]CC1CCC(C)CC1 ZINC000063145141 357534491 /nfs/dbraw/zinc/53/44/91/357534491.db2.gz WVLXUPDQPCDYNF-UHFFFAOYSA-N 2 1 235.375 2.607 10 0 BFAEMP CC[C@@H]1CC[C@H](CC[NH+]2CCCC2)[N@@H+](C)C1 ZINC000584652212 358307027 /nfs/dbraw/zinc/30/70/27/358307027.db2.gz QQUFBQNUZZCFGO-ZIAGYGMSSA-N 2 1 224.392 2.593 10 0 BFAEMP CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000070280424 359048906 /nfs/dbraw/zinc/04/89/06/359048906.db2.gz ZPFKHCOKQJKGHN-HUUCEWRRSA-N 2 1 232.371 2.679 10 0 BFAEMP CC[N@H+]1CC[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576337 360027929 /nfs/dbraw/zinc/02/79/29/360027929.db2.gz FMVHKTRNCZBSAQ-YMAMQOFZSA-N 2 1 238.419 2.744 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000252602114 363987177 /nfs/dbraw/zinc/98/71/77/363987177.db2.gz MVNXWIAOOBRPPZ-VNHYZAJKSA-N 2 1 232.371 2.505 10 0 BFAEMP CC1CCC(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399004117 364692222 /nfs/dbraw/zinc/69/22/22/364692222.db2.gz VVRROPOTMAPNCY-YIOUJQMASA-N 2 1 224.392 2.543 10 0 BFAEMP [NH3+]CCC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000082343862 181385870 /nfs/dbraw/zinc/38/58/70/181385870.db2.gz MHIHEMRHBKMEAM-HNNXBMFYSA-N 2 1 232.371 2.638 10 0 BFAEMP [NH3+]CCC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000082343863 181385878 /nfs/dbraw/zinc/38/58/78/181385878.db2.gz MHIHEMRHBKMEAM-OAHLLOKOSA-N 2 1 232.371 2.638 10 0 BFAEMP CC[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000381542113 367427614 /nfs/dbraw/zinc/42/76/14/367427614.db2.gz IKJNXKXOJYKKDC-CHWSQXEVSA-N 2 1 226.408 2.741 10 0 BFAEMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1[NH3+] ZINC000101417741 368383659 /nfs/dbraw/zinc/38/36/59/368383659.db2.gz VLNSZQNRDVTFLY-OSFYFWSMSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1[NH3+] ZINC000101417741 368383666 /nfs/dbraw/zinc/38/36/66/368383666.db2.gz VLNSZQNRDVTFLY-OSFYFWSMSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1C[NH3+] ZINC000631837197 369090456 /nfs/dbraw/zinc/09/04/56/369090456.db2.gz OMWZVWARNDIPFI-DOMZBBRYSA-N 2 1 244.382 2.591 10 0 BFAEMP CC(C)(C)[C@@H]1c2ccccc2CC[N@@H+]1CCN ZINC000616584572 369096874 /nfs/dbraw/zinc/09/68/74/369096874.db2.gz KXKSTVOVLCEKEV-AWEZNQCLSA-N 2 1 232.371 2.591 10 0 BFAEMP CC(C)[C@H](C)[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230004295 371632398 /nfs/dbraw/zinc/63/23/98/371632398.db2.gz NROWYBPWIHSGFJ-AWEZNQCLSA-N 2 1 234.387 2.882 10 0 BFAEMP CCC[N@@H+](CCC[NH3+])Cc1cc(C)cc(C)c1 ZINC000038076703 169156385 /nfs/dbraw/zinc/15/63/85/169156385.db2.gz ANKFJPLKEGAYRH-UHFFFAOYSA-N 2 1 234.387 2.864 10 0 BFAEMP CCC[N@@H+](Cc1ccoc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000063048075 169178890 /nfs/dbraw/zinc/17/88/90/169178890.db2.gz DQVXRUJUROGLAV-YIONKMFJSA-N 2 1 248.370 2.775 10 0 BFAEMP c1cc(C[NH2+]C2CC2)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)o1 ZINC000052543800 183349181 /nfs/dbraw/zinc/34/91/81/183349181.db2.gz LJJRPDOSYRYEJJ-SMDDNHRTSA-N 2 1 246.354 2.516 10 0 BFAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)C ZINC000054627060 169256025 /nfs/dbraw/zinc/25/60/25/169256025.db2.gz YHVUVYBEVLECFV-YHWZYXNKSA-N 2 1 224.392 2.780 10 0 BFAEMP CCC[NH2+]CC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000053664557 169257473 /nfs/dbraw/zinc/25/74/73/169257473.db2.gz XMYZZSDMXGVTBB-UHFFFAOYSA-N 2 1 247.386 2.606 10 0 BFAEMP CCC[NH2+]C[C@@H](CC)[N@H+](CCOC)[C@@H](C)CC ZINC000052547221 169263019 /nfs/dbraw/zinc/26/30/19/169263019.db2.gz IDLRCTIUUJHUNX-UONOGXRCSA-N 2 1 244.423 2.512 10 0 BFAEMP CCC[NH2+]C[C@@H](CC)[N@@H+](CCOC)[C@@H](C)CC ZINC000052547221 169263022 /nfs/dbraw/zinc/26/30/22/169263022.db2.gz IDLRCTIUUJHUNX-UONOGXRCSA-N 2 1 244.423 2.512 10 0 BFAEMP CCC[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000052346640 169260791 /nfs/dbraw/zinc/26/07/91/169260791.db2.gz VOBUXWTZQUPOCF-GFCCVEGCSA-N 2 1 238.375 2.798 10 0 BFAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000052346640 169260793 /nfs/dbraw/zinc/26/07/93/169260793.db2.gz VOBUXWTZQUPOCF-GFCCVEGCSA-N 2 1 238.375 2.798 10 0 BFAEMP c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000096895237 183397949 /nfs/dbraw/zinc/39/79/49/183397949.db2.gz YENIKBKOHNVCKT-HOTGVXAUSA-N 2 1 244.382 2.651 10 0 BFAEMP c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H]2CCC[NH2+]2)cc1 ZINC000096895234 183398561 /nfs/dbraw/zinc/39/85/61/183398561.db2.gz NDIHTTASYQLTEA-JKSUJKDBSA-N 2 1 244.382 2.793 10 0 BFAEMP c1ccc(C[N@@H+]2CC[C@H](CC[NH2+]C3CC3)C2)cc1 ZINC000095079393 183401065 /nfs/dbraw/zinc/40/10/65/183401065.db2.gz HRSJXDFKZMONQZ-HNNXBMFYSA-N 2 1 244.382 2.651 10 0 BFAEMP CCC[NH2+][C@@H]1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000082309144 169282928 /nfs/dbraw/zinc/28/29/28/169282928.db2.gz NSTYPMBMDJLCKI-ZBFHGGJFSA-N 2 1 244.382 2.748 10 0 BFAEMP CCC[NH2+][C@@H]1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC000082309144 169282929 /nfs/dbraw/zinc/28/29/29/169282929.db2.gz NSTYPMBMDJLCKI-ZBFHGGJFSA-N 2 1 244.382 2.748 10 0 BFAEMP CCC[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000042864296 169291549 /nfs/dbraw/zinc/29/15/49/169291549.db2.gz YNYXSMKSBPESCW-KKUMJFAQSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000042864296 169291551 /nfs/dbraw/zinc/29/15/51/169291551.db2.gz YNYXSMKSBPESCW-KKUMJFAQSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[C@@H](C)[N@@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000036790830 169365646 /nfs/dbraw/zinc/36/56/46/169365646.db2.gz GQWKNOZPUNZBEU-LLVKDONJSA-N 2 1 233.359 2.591 10 0 BFAEMP C[C@@H]1C[C@H]([NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592739 384001608 /nfs/dbraw/zinc/00/16/08/384001608.db2.gz ZJJABKUGECYXQM-CXTNEJHOSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@H](CCCC[NH3+])Nc1cc[nH+]cc1Cl ZINC000308828438 384329560 /nfs/dbraw/zinc/32/95/60/384329560.db2.gz IPXOAADMQVXSPG-SECBINFHSA-N 2 1 227.739 2.664 10 0 BFAEMP CC(C)C[C@@H](C[NH3+])Nc1cc[nH+]cc1Cl ZINC000086839966 384702033 /nfs/dbraw/zinc/70/20/33/384702033.db2.gz QVZMTLRAXOVVJA-VIFPVBQESA-N 2 1 227.739 2.520 10 0 BFAEMP [NH3+]C[C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000032625254 385175369 /nfs/dbraw/zinc/17/53/69/385175369.db2.gz AFHIMDPHXZNRAO-CVEARBPZSA-N 2 1 244.382 2.638 10 0 BFAEMP C[C@@H](CCCC[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000311060838 385299583 /nfs/dbraw/zinc/29/95/83/385299583.db2.gz ZCYDZAQFVMBHOX-NSHDSACASA-N 2 1 246.358 2.503 10 0 BFAEMP CCCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171138949 385469775 /nfs/dbraw/zinc/46/97/75/385469775.db2.gz VQNQRXGFFCCUAY-CYBMUJFWSA-N 2 1 233.359 2.616 10 0 BFAEMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414958765 385863662 /nfs/dbraw/zinc/86/36/62/385863662.db2.gz SHWGXAFJMQCFQF-MBNYWOFBSA-N 2 1 224.392 2.685 10 0 BFAEMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000300024129 386800426 /nfs/dbraw/zinc/80/04/26/386800426.db2.gz KTKJVKZHPLPTNH-UTUOFQBUSA-N 2 1 212.381 2.528 10 0 BFAEMP CC(C)CC1([N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000536954961 387168292 /nfs/dbraw/zinc/16/82/92/387168292.db2.gz PEEDJHHBLFHQGU-CQSZACIVSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000643525367 387749269 /nfs/dbraw/zinc/74/92/69/387749269.db2.gz ACYCWFABRGKSNM-WOPDTQHZSA-N 2 1 212.381 2.541 10 0 BFAEMP Cc1ccccc1[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193615559 387857798 /nfs/dbraw/zinc/85/77/98/387857798.db2.gz JGTYDIHBRVBCEV-SOUVJXGZSA-N 2 1 244.382 2.549 10 0 BFAEMP Cc1ccccc1[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193615559 387857802 /nfs/dbraw/zinc/85/78/02/387857802.db2.gz JGTYDIHBRVBCEV-SOUVJXGZSA-N 2 1 244.382 2.549 10 0 BFAEMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000422962688 387813748 /nfs/dbraw/zinc/81/37/48/387813748.db2.gz GKLMBYVCHVBVMR-ACJTYDJDSA-N 2 1 234.343 2.522 10 0 BFAEMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396654736 387933426 /nfs/dbraw/zinc/93/34/26/387933426.db2.gz FMKAJRNFJPIYRN-CRWXNKLISA-N 2 1 224.392 2.685 10 0 BFAEMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)[C@@H]1C[C@H]1C ZINC000322211006 388032146 /nfs/dbraw/zinc/03/21/46/388032146.db2.gz UJTPFBMQFJGJJM-BARDWOONSA-N 2 1 238.419 2.741 10 0 BFAEMP C[C@H](C[NH3+])CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000086634517 388105831 /nfs/dbraw/zinc/10/58/31/388105831.db2.gz AHDSVPNVXYWWDR-SECBINFHSA-N 2 1 249.745 2.895 10 0 BFAEMP CCc1cc(N[C@@H]2CCC[N@H+](CC)C2)cc[nH+]1 ZINC000307774105 388425589 /nfs/dbraw/zinc/42/55/89/388425589.db2.gz RAPJGTIVTZGVAW-CQSZACIVSA-N 2 1 233.359 2.540 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251518431 135070287 /nfs/dbraw/zinc/07/02/87/135070287.db2.gz GCXUWECXSVUOCB-MCIONIFRSA-N 2 1 236.403 2.639 10 0 BFAEMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](C)[NH3+])s1 ZINC000261566879 135208366 /nfs/dbraw/zinc/20/83/66/135208366.db2.gz DRKXFBJWCKEANS-KOLCDFICSA-N 2 1 224.373 2.541 10 0 BFAEMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])s1 ZINC000261566879 135208368 /nfs/dbraw/zinc/20/83/68/135208368.db2.gz DRKXFBJWCKEANS-KOLCDFICSA-N 2 1 224.373 2.541 10 0 BFAEMP CC1(C)C[N@H+](C/C=C/c2ccccc2)CC[C@@H]1[NH3+] ZINC000261586544 135227627 /nfs/dbraw/zinc/22/76/27/135227627.db2.gz ULESQSGRCUWZAO-PPYMECGQSA-N 2 1 244.382 2.759 10 0 BFAEMP CC1(C)C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1[NH3+] ZINC000261586544 135227628 /nfs/dbraw/zinc/22/76/28/135227628.db2.gz ULESQSGRCUWZAO-PPYMECGQSA-N 2 1 244.382 2.759 10 0 BFAEMP CC[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000164423012 135252168 /nfs/dbraw/zinc/25/21/68/135252168.db2.gz RDDJMNYHPYIXGR-KBPBESRZSA-N 2 1 226.408 2.885 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000164422899 135252174 /nfs/dbraw/zinc/25/21/74/135252174.db2.gz RDDJMNYHPYIXGR-KGLIPLIRSA-N 2 1 226.408 2.885 10 0 BFAEMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262053640 135275702 /nfs/dbraw/zinc/27/57/02/135275702.db2.gz QLAZLZYMMIVHTQ-LSDHHAIUSA-N 2 1 238.419 2.887 10 0 BFAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)C2CC2)CCCC1 ZINC000051215140 167003114 /nfs/dbraw/zinc/00/31/14/167003114.db2.gz MEEZODKXMZNAEL-UHFFFAOYSA-N 2 1 238.419 2.887 10 0 BFAEMP CC(C)[NH2+][C@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000050270739 167142326 /nfs/dbraw/zinc/14/23/26/167142326.db2.gz LBMCDAUGNPYZPN-DGCLKSJQSA-N 2 1 212.381 2.528 10 0 BFAEMP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000053030986 167007237 /nfs/dbraw/zinc/00/72/37/167007237.db2.gz NWLSNPQEXXVRFD-HNNXBMFYSA-N 2 1 238.419 2.744 10 0 BFAEMP CC1([NH3+])C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000076677762 168054744 /nfs/dbraw/zinc/05/47/44/168054744.db2.gz VBIARUJUBIWNKJ-YIONKMFJSA-N 2 1 230.355 2.531 10 0 BFAEMP CC1CCC(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)CC1 ZINC000063146969 168152884 /nfs/dbraw/zinc/15/28/84/168152884.db2.gz MSEZZIGIMGVYKT-NIRLBGDNSA-N 2 1 236.403 2.767 10 0 BFAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CC1(C)C ZINC000054602627 170109994 /nfs/dbraw/zinc/10/99/94/170109994.db2.gz NEHKULLGXFONMU-WTUNAVPPSA-N 2 1 236.403 2.780 10 0 BFAEMP CC[NH2+]CCCC[N@@H+](CCOC)C(CC)CC ZINC000052573271 170112319 /nfs/dbraw/zinc/11/23/19/170112319.db2.gz JQFCOTDHMUIPLB-UHFFFAOYSA-N 2 1 244.423 2.513 10 0 BFAEMP CC[NH2+]CC[C@H](C)[N@H+]1CCCc2ccccc2C1 ZINC000062945581 170117227 /nfs/dbraw/zinc/11/72/27/170117227.db2.gz VBKWZLWZNQCHIM-AWEZNQCLSA-N 2 1 246.398 2.823 10 0 BFAEMP CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000053653899 170120166 /nfs/dbraw/zinc/12/01/66/170120166.db2.gz WHZQVSMEGGNTMF-LBPRGKRZSA-N 2 1 238.400 2.570 10 0 BFAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000053653899 170120168 /nfs/dbraw/zinc/12/01/68/170120168.db2.gz WHZQVSMEGGNTMF-LBPRGKRZSA-N 2 1 238.400 2.570 10 0 BFAEMP CC[NH2+]C[C@](C)(CC)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000051207071 170123840 /nfs/dbraw/zinc/12/38/40/170123840.db2.gz FNEFGVNCAUYSTC-ZNMIVQPWSA-N 2 1 240.435 2.990 10 0 BFAEMP CC[NH2+]Cc1cccc(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000052484355 170128604 /nfs/dbraw/zinc/12/86/04/170128604.db2.gz VRVKSHIGBSZPHE-CYBMUJFWSA-N 2 1 232.371 2.638 10 0 BFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+]1CC[C@H](C)C1 ZINC000053870449 170150742 /nfs/dbraw/zinc/15/07/42/170150742.db2.gz MDSAMEITJAJMGC-RRFJBIMHSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710696 170151662 /nfs/dbraw/zinc/15/16/62/170151662.db2.gz UAUVMZBHXCDWCA-TZMCWYRMSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@@H+](C)CC(C)C ZINC000053865785 170153730 /nfs/dbraw/zinc/15/37/30/170153730.db2.gz QZVNIKRUZZBBNN-RRFJBIMHSA-N 2 1 240.435 2.989 10 0 BFAEMP CC[C@@H]1CC[N@H+](C2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049664887 171009389 /nfs/dbraw/zinc/00/93/89/171009389.db2.gz YIXLHKBLEJBPKN-QWHCGFSZSA-N 2 1 224.392 2.782 10 0 BFAEMP CC[C@@H]1CC[N@H+](Cc2cccc(C)c2)CC[NH2+]1 ZINC000049662232 171011474 /nfs/dbraw/zinc/01/14/74/171011474.db2.gz DLZFJFQTFAJLKY-OAHLLOKOSA-N 2 1 232.371 2.569 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)CC[NH2+]1 ZINC000049662232 171011475 /nfs/dbraw/zinc/01/14/75/171011475.db2.gz DLZFJFQTFAJLKY-OAHLLOKOSA-N 2 1 232.371 2.569 10 0 BFAEMP CC[C@@](C)(C[NH3+])C[N@H+]1CCCc2ccccc2C1 ZINC000062945393 171166135 /nfs/dbraw/zinc/16/61/35/171166135.db2.gz CKQOKCXQLVWNQV-INIZCTEOSA-N 2 1 246.398 2.810 10 0 BFAEMP CC[C@H](C)[N@@H+](C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022737 171310288 /nfs/dbraw/zinc/31/02/88/171310288.db2.gz NEQMEYUVOODION-AAEUAGOBSA-N 2 1 233.359 2.784 10 0 BFAEMP CC[C@H]([NH3+])[C@H](c1ccccc1C)n1cc[nH+]c1C ZINC000043037745 171490068 /nfs/dbraw/zinc/49/00/68/171490068.db2.gz CGCLFWIAEYBVIA-GJZGRUSLSA-N 2 1 243.354 2.827 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043046443 172029217 /nfs/dbraw/zinc/02/92/17/172029217.db2.gz IFQGTWLMTOHSLW-HZMBPMFUSA-N 2 1 247.317 2.521 10 0 BFAEMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(F)cc1)C2 ZINC000020523909 173207435 /nfs/dbraw/zinc/20/74/35/173207435.db2.gz SPBSIYGGSWEJOW-GOOCMWNKSA-N 2 1 248.345 2.541 10 0 BFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(F)cc1)C2 ZINC000020523909 173207438 /nfs/dbraw/zinc/20/74/38/173207438.db2.gz SPBSIYGGSWEJOW-GOOCMWNKSA-N 2 1 248.345 2.541 10 0 BFAEMP C[NH2+]CC(C)(C)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000051252325 173336275 /nfs/dbraw/zinc/33/62/75/173336275.db2.gz UTNYYDWOFDCUHR-CQSZACIVSA-N 2 1 238.419 2.887 10 0 BFAEMP C[NH2+]CCC[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425340 173350704 /nfs/dbraw/zinc/35/07/04/173350704.db2.gz PHXKLXFUNZVSEC-LBPRGKRZSA-N 2 1 238.350 2.646 10 0 BFAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000071142322 173381289 /nfs/dbraw/zinc/38/12/89/173381289.db2.gz VHGSTFZMNMBZHA-LSDHHAIUSA-N 2 1 246.398 2.906 10 0 BFAEMP C[NH2+]Cc1occc1C[N@H+](C)Cc1ccoc1C ZINC000052346532 173399311 /nfs/dbraw/zinc/39/93/11/173399311.db2.gz BFJQXFCGBGMIBK-UHFFFAOYSA-N 2 1 248.326 2.532 10 0 BFAEMP C[NH2+]Cc1occc1C[N@@H+](C)Cc1ccoc1C ZINC000052346532 173399313 /nfs/dbraw/zinc/39/93/13/173399313.db2.gz BFJQXFCGBGMIBK-UHFFFAOYSA-N 2 1 248.326 2.532 10 0 BFAEMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1[C@@H](C)c1ccc(O)cc1 ZINC000063191206 176017363 /nfs/dbraw/zinc/01/73/63/176017363.db2.gz YZMOPZXMOUVCQX-TYNCELHUSA-N 2 1 248.370 2.655 10 0 BFAEMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1[C@@H](C)c1ccc(O)cc1 ZINC000063191206 176017364 /nfs/dbraw/zinc/01/73/64/176017364.db2.gz YZMOPZXMOUVCQX-TYNCELHUSA-N 2 1 248.370 2.655 10 0 BFAEMP C[C@@H]1CC2(CCC2)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336596907 176057691 /nfs/dbraw/zinc/05/76/91/176057691.db2.gz AKJLFFSUNVWDAX-ZIAGYGMSSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccoc1C[NH3+] ZINC000052546709 176079136 /nfs/dbraw/zinc/07/91/36/176079136.db2.gz WRFAKEFUDJJVAN-YPMHNXCESA-N 2 1 236.359 2.749 10 0 BFAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCC([NH3+])CC1 ZINC000055144608 176085927 /nfs/dbraw/zinc/08/59/27/176085927.db2.gz ZRBFQOFIMOWNNN-BLYZHGLHSA-N 2 1 224.392 2.767 10 0 BFAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000053861946 176099965 /nfs/dbraw/zinc/09/99/65/176099965.db2.gz JGQZZMHHCGQKGJ-RDBSUJKOSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050563630 176100810 /nfs/dbraw/zinc/10/08/10/176100810.db2.gz JAKVCJYYUINFEH-CHWSQXEVSA-N 2 1 232.371 2.766 10 0 BFAEMP C[C@@H]1CCC[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1 ZINC000026741662 176152971 /nfs/dbraw/zinc/15/29/71/176152971.db2.gz LHSNIQNSBQTYIU-CABCVRRESA-N 2 1 238.419 2.840 10 0 BFAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CC1CCCCC1 ZINC000042427272 176202130 /nfs/dbraw/zinc/20/21/30/176202130.db2.gz VGYIESKFFVSTQD-OCCSQVGLSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC000104366318 176228508 /nfs/dbraw/zinc/22/85/08/176228508.db2.gz ZOKVYBMKGARNSD-SNPRPXQTSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@H](c1ccc(F)cc1)[NH+]1CCC[NH2+]CCC1 ZINC000049667298 177034363 /nfs/dbraw/zinc/03/43/63/177034363.db2.gz TVINSTMHCAUFMP-GFCCVEGCSA-N 2 1 236.334 2.572 10 0 BFAEMP C[C@H]1CC2(CCC2)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336596906 177068202 /nfs/dbraw/zinc/06/82/02/177068202.db2.gz AKJLFFSUNVWDAX-UONOGXRCSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@H]1CC2(CCC2)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336596906 177068204 /nfs/dbraw/zinc/06/82/04/177068204.db2.gz AKJLFFSUNVWDAX-UONOGXRCSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCC([NH3+])CC1 ZINC000055144606 177080461 /nfs/dbraw/zinc/08/04/61/177080461.db2.gz ZRBFQOFIMOWNNN-ABXWRUBCSA-N 2 1 224.392 2.767 10 0 BFAEMP C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408413 177088803 /nfs/dbraw/zinc/08/88/03/177088803.db2.gz RPERLMYOWZZQEQ-KCQAQPDRSA-N 2 1 236.403 2.639 10 0 BFAEMP C[C@H]1CCC[N@@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000034050214 177100289 /nfs/dbraw/zinc/10/02/89/177100289.db2.gz QLTHMEKETMHHRP-ZFWWWQNUSA-N 2 1 232.371 2.808 10 0 BFAEMP C[C@@H](N)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1C ZINC000042914821 177111407 /nfs/dbraw/zinc/11/14/07/177111407.db2.gz MMQKKARXUWEKLL-MISXGVKJSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](N)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1C ZINC000042914821 177111408 /nfs/dbraw/zinc/11/14/08/177111408.db2.gz MMQKKARXUWEKLL-MISXGVKJSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@H]1CCC[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1 ZINC000026741667 177144558 /nfs/dbraw/zinc/14/45/58/177144558.db2.gz LHSNIQNSBQTYIU-GJZGRUSLSA-N 2 1 238.419 2.840 10 0 BFAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC1CCC([NH3+])CC1 ZINC000051746712 177159092 /nfs/dbraw/zinc/15/90/92/177159092.db2.gz RGVFVXWGVNLHAJ-MRFVTOPCSA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@@H]1CC[N@H+](CC2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049666010 177159263 /nfs/dbraw/zinc/15/92/63/177159263.db2.gz MYEKSRQOIYZYQY-BETUJISGSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@@H]1CC[N@H+](CCc2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049664771 177160943 /nfs/dbraw/zinc/16/09/43/177160943.db2.gz UQNDWBQOBDKTOU-GASCZTMLSA-N 2 1 246.398 2.692 10 0 BFAEMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000052484610 177163309 /nfs/dbraw/zinc/16/33/09/177163309.db2.gz GVPKOLHECSZYTD-ZDUSSCGKSA-N 2 1 244.382 2.780 10 0 BFAEMP C[C@@H](c1ccco1)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666190 177170485 /nfs/dbraw/zinc/17/04/85/177170485.db2.gz QGDOXBIJBKOBKJ-XQQFMLRXSA-N 2 1 236.359 2.803 10 0 BFAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CC1CCCCC1 ZINC000042427271 177200584 /nfs/dbraw/zinc/20/05/84/177200584.db2.gz VGYIESKFFVSTQD-GXTWGEPZSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@H]1C[N@H+](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH3+] ZINC000049694206 177241142 /nfs/dbraw/zinc/24/11/42/177241142.db2.gz DESKPCIAGUFNCR-KORRQRHVSA-N 2 1 248.414 2.624 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053344513 177313098 /nfs/dbraw/zinc/31/30/98/177313098.db2.gz FUWMIRKPZMVACC-OKILXGFUSA-N 2 1 240.435 2.990 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053344513 177313099 /nfs/dbraw/zinc/31/30/99/177313099.db2.gz FUWMIRKPZMVACC-OKILXGFUSA-N 2 1 240.435 2.990 10 0 BFAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C1(C)CCCCC1 ZINC000045046052 177327071 /nfs/dbraw/zinc/32/70/71/177327071.db2.gz NFVQOJBLOINVDM-RYUDHWBXSA-N 2 1 210.365 2.521 10 0 BFAEMP C[C@@H]1[C@@H](C)C[C@H]([NH3+])[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592868 177364912 /nfs/dbraw/zinc/36/49/12/177364912.db2.gz UKWBVZXKIFQVBE-XFMPKHEZSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]([NH3+])CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000082575790 487678505 /nfs/dbraw/zinc/67/85/05/487678505.db2.gz FEJZETLMLAFGIG-MRVPVSSYSA-N 2 1 235.718 2.647 10 0 BFAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)C1 ZINC000396695788 323654667 /nfs/dbraw/zinc/65/46/67/323654667.db2.gz JHPJYUJWVWKKAS-XHJNMGKDSA-N 2 1 224.392 2.541 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000396710657 488000085 /nfs/dbraw/zinc/00/00/85/488000085.db2.gz PDLSIONCPZHBBX-RWMBFGLXSA-N 2 1 224.392 2.685 10 0 BFAEMP CCCCC[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757127733 582503091 /nfs/dbraw/zinc/50/30/91/582503091.db2.gz HVQYEKMDVJKYES-KBPBESRZSA-N 2 1 224.392 2.783 10 0 BFAEMP CC(C)CC[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757135071 582513594 /nfs/dbraw/zinc/51/35/94/582513594.db2.gz YEBXIPMPCHLBBV-KGLIPLIRSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000238860509 525082360 /nfs/dbraw/zinc/08/23/60/525082360.db2.gz ZOZDGKPSUAGAMX-WORYOXIGSA-N 2 1 246.398 2.879 10 0 BFAEMP CC(C)[NH2+][C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000070585015 535291211 /nfs/dbraw/zinc/29/12/11/535291211.db2.gz YGJFQVPMSZKXRM-ZDUSSCGKSA-N 2 1 224.392 2.782 10 0 BFAEMP C[C@H]1C[NH2+]C[C@]2(CCC[N@H+]2CCC2CCC2)C1 ZINC000757126920 582501233 /nfs/dbraw/zinc/50/12/33/582501233.db2.gz HRRSUWBCXJKVMU-HIFRSBDPSA-N 2 1 236.403 2.641 10 0 BFAEMP CC(C)CC[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757128314 582503265 /nfs/dbraw/zinc/50/32/65/582503265.db2.gz KLJCPSIQLQSELS-KGLIPLIRSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)CC[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757128320 582503449 /nfs/dbraw/zinc/50/34/49/582503449.db2.gz KLJCPSIQLQSELS-UONOGXRCSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@@H](C1CCC1)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757127969 582503479 /nfs/dbraw/zinc/50/34/79/582503479.db2.gz IHQYRYLFBZHNDC-YDHLFZDLSA-N 2 1 236.403 2.639 10 0 BFAEMP CC1(c2ccc([C@H]3CC[NH2+][C@@H](C[NH3+])C3)cc2)CC1 ZINC000757212730 582560796 /nfs/dbraw/zinc/56/07/96/582560796.db2.gz JSKXHJXLJIBRNF-DZGCQCFKSA-N 2 1 244.382 2.532 10 0 BFAEMP CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000675052517 583301766 /nfs/dbraw/zinc/30/17/66/583301766.db2.gz ATTVRBYWIDUCRN-QWHCGFSZSA-N 2 1 238.762 2.824 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000675052517 583301768 /nfs/dbraw/zinc/30/17/68/583301768.db2.gz ATTVRBYWIDUCRN-QWHCGFSZSA-N 2 1 238.762 2.824 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757129072 586426643 /nfs/dbraw/zinc/42/66/43/586426643.db2.gz KRMQIKXXINFVDR-MELADBBJSA-N 2 1 224.392 2.782 10 0 BFAEMP C[C@@H]1[NH2+][C@H](c2ccc(C3(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000757206371 586437528 /nfs/dbraw/zinc/43/75/28/586437528.db2.gz AASDIAJHRSNSPP-GLQYFDAESA-N 2 1 244.382 2.878 10 0 BFAEMP C[C@@H]1[NH2+][C@H](c2ccc(C3(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000757206367 586437575 /nfs/dbraw/zinc/43/75/75/586437575.db2.gz AASDIAJHRSNSPP-CQDKDKBSSA-N 2 1 244.382 2.878 10 0 BFAEMP CC[C@H](C)[N@H+](C)CC[NH2+]CCc1ccccc1 ZINC000232008072 641228078 /nfs/dbraw/zinc/22/80/78/641228078.db2.gz QNYUUCXNGDZMMM-AWEZNQCLSA-N 2 1 234.387 2.549 10 0 BFAEMP CC[C@H](C)[N@@H+](C)CC[NH2+]CCc1ccccc1 ZINC000232008072 641228084 /nfs/dbraw/zinc/22/80/84/641228084.db2.gz QNYUUCXNGDZMMM-AWEZNQCLSA-N 2 1 234.387 2.549 10 0 BFAEMP CC[C@@H](C)[N@H+](C)CC[NH2+]CCc1ccccc1 ZINC000232008069 641228326 /nfs/dbraw/zinc/22/83/26/641228326.db2.gz QNYUUCXNGDZMMM-CQSZACIVSA-N 2 1 234.387 2.549 10 0 BFAEMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CCc1ccccc1 ZINC000232008069 641228334 /nfs/dbraw/zinc/22/83/34/641228334.db2.gz QNYUUCXNGDZMMM-CQSZACIVSA-N 2 1 234.387 2.549 10 0 BFAEMP CCC[N@H+]1CCC=C(c2cccc(C[NH3+])c2)C1 ZINC000757572073 644851124 /nfs/dbraw/zinc/85/11/24/644851124.db2.gz NYVANRFCAMCYMZ-UHFFFAOYSA-N 2 1 230.355 2.644 10 0 BFAEMP C[C@@H]([NH3+])CN(C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000111375688 711587813 /nfs/dbraw/zinc/58/78/13/711587813.db2.gz NYRWYHHQIDNBAC-SECBINFHSA-N 2 1 249.745 2.672 10 0 BFAEMP Cc1cc[nH+]c(N2CCC(C(C)(C)C[NH3+])CC2)c1 ZINC000714486326 712492442 /nfs/dbraw/zinc/49/24/42/712492442.db2.gz MPDCNZOGYURGOP-UHFFFAOYSA-N 2 1 247.386 2.591 10 0 BFAEMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccco2)CC1 ZINC000714754560 712497802 /nfs/dbraw/zinc/49/78/02/712497802.db2.gz WHGZUWBHSGQMAE-LLVKDONJSA-N 2 1 222.332 2.544 10 0 BFAEMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCCCC1(C)C ZINC000719235660 712800944 /nfs/dbraw/zinc/80/09/44/712800944.db2.gz HDXLKSPYHLLPCV-AWEZNQCLSA-N 2 1 249.402 2.911 10 0 BFAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@@H]2C ZINC000685955295 538900397 /nfs/dbraw/zinc/90/03/97/538900397.db2.gz XJQTYBFEUIBKIB-ZOBORPQBSA-N 2 1 224.392 2.623 10 0 BFAEMP CCC[N@@H+](CC)Cc1cc(F)cc(C[NH3+])c1 ZINC000162823537 538924982 /nfs/dbraw/zinc/92/49/82/538924982.db2.gz ZFICFYJDNJIBGP-UHFFFAOYSA-N 2 1 224.323 2.516 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@@H]1C ZINC000073656110 187329551 /nfs/dbraw/zinc/32/95/51/187329551.db2.gz DONJKILCTURYAC-UONOGXRCSA-N 2 1 226.408 2.885 10 0 BFAEMP CCC(CC)[N@@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000036789184 168368434 /nfs/dbraw/zinc/36/84/34/168368434.db2.gz JWQKVXGTUBDAKC-UHFFFAOYSA-N 2 1 233.359 2.591 10 0 BFAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381480619 398259236 /nfs/dbraw/zinc/25/92/36/398259236.db2.gz AHIJFDPTHPEJMD-GRYCIOLGSA-N 2 1 246.345 2.624 10 0 BFAEMP CCC(CC)[N@@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000036788535 168369050 /nfs/dbraw/zinc/36/90/50/168369050.db2.gz GCBQHSFMSWHSEC-CQSZACIVSA-N 2 1 234.387 2.849 10 0 BFAEMP CC(C)C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000082343998 187242865 /nfs/dbraw/zinc/24/28/65/187242865.db2.gz MIWRBTJFMVQQHC-LSDHHAIUSA-N 2 1 232.371 2.634 10 0 BFAEMP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CCCC1 ZINC000409434704 343834623 /nfs/dbraw/zinc/83/46/23/343834623.db2.gz ZYGARFVDEQXMSA-CVEARBPZSA-N 2 1 244.382 2.636 10 0 BFAEMP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C1CCCC1 ZINC000409434704 343834627 /nfs/dbraw/zinc/83/46/27/343834627.db2.gz ZYGARFVDEQXMSA-CVEARBPZSA-N 2 1 244.382 2.636 10 0 BFAEMP C[C@@H]1CC[C@@H]([NH3+])[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000220407580 344286343 /nfs/dbraw/zinc/28/63/43/344286343.db2.gz SZOWQRCSACAHRQ-YUELXQCFSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@@H]1CC[C@@H]([NH3+])[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000220407580 344286345 /nfs/dbraw/zinc/28/63/45/344286345.db2.gz SZOWQRCSACAHRQ-YUELXQCFSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@H](CC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000634998186 345197622 /nfs/dbraw/zinc/19/76/22/345197622.db2.gz BZPYPQUNPPUBBJ-FMKPAKJESA-N 2 1 246.398 2.707 10 0 BFAEMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)[C@H]1C ZINC000675054272 537894113 /nfs/dbraw/zinc/89/41/13/537894113.db2.gz QZVJSTJUIFHBGM-XJFOESAGSA-N 2 1 224.392 2.624 10 0 BFAEMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000381378456 345754074 /nfs/dbraw/zinc/75/40/74/345754074.db2.gz KMDZLGGDXYVZCX-OLZOCXBDSA-N 2 1 226.408 2.743 10 0 BFAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000042966737 179187877 /nfs/dbraw/zinc/18/78/77/179187877.db2.gz VNVCALLKXBGHTB-KCQAQPDRSA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000042966737 179187879 /nfs/dbraw/zinc/18/78/79/179187879.db2.gz VNVCALLKXBGHTB-KCQAQPDRSA-N 2 1 232.371 2.868 10 0 BFAEMP CCCc1ccc[nH+]c1N(CC)C1CC[NH2+]CC1 ZINC000039171448 347183077 /nfs/dbraw/zinc/18/30/77/347183077.db2.gz ZGUCRXJGDKYCCP-UHFFFAOYSA-N 2 1 247.386 2.612 10 0 BFAEMP Cc1cccc([C@@H]2[C@@H](C[NH3+])CCCC[N@@H+]2C)c1 ZINC000070278059 179192156 /nfs/dbraw/zinc/19/21/56/179192156.db2.gz HQKRKZXJFPUZPV-HUUCEWRRSA-N 2 1 232.371 2.727 10 0 BFAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000042966735 179203736 /nfs/dbraw/zinc/20/37/36/179203736.db2.gz VNVCALLKXBGHTB-GUTXKFCHSA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000042966735 179203738 /nfs/dbraw/zinc/20/37/38/179203738.db2.gz VNVCALLKXBGHTB-GUTXKFCHSA-N 2 1 232.371 2.868 10 0 BFAEMP CCN(Cc1ccccc1)[C@H](C[NH3+])C1CCC1 ZINC000149530715 347305841 /nfs/dbraw/zinc/30/58/41/347305841.db2.gz MPIMLWOHASGHLS-OAHLLOKOSA-N 2 1 232.371 2.636 10 0 BFAEMP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])C1CCC1 ZINC000149530715 347305843 /nfs/dbraw/zinc/30/58/43/347305843.db2.gz MPIMLWOHASGHLS-OAHLLOKOSA-N 2 1 232.371 2.636 10 0 BFAEMP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])C1CCC1 ZINC000149530715 347305844 /nfs/dbraw/zinc/30/58/44/347305844.db2.gz MPIMLWOHASGHLS-OAHLLOKOSA-N 2 1 232.371 2.636 10 0 BFAEMP Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000036127818 179269061 /nfs/dbraw/zinc/26/90/61/179269061.db2.gz UEAKVEKHHFPDMH-HIFRSBDPSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccccc1C[N@@H+](C)[C@@H](C[NH3+])C1CCCC1 ZINC000050272242 179269880 /nfs/dbraw/zinc/26/98/80/179269880.db2.gz OYJVDULDFVOQBT-INIZCTEOSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1ccccc1C[N@H+](C)[C@@H](C[NH3+])C1CCCC1 ZINC000050272242 179269882 /nfs/dbraw/zinc/26/98/82/179269882.db2.gz OYJVDULDFVOQBT-INIZCTEOSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1ccccc1C[N@H+]1CCC[C@H]1CCC[NH3+] ZINC000104320974 179274169 /nfs/dbraw/zinc/27/41/69/179274169.db2.gz FJWCQFWCYASZDB-OAHLLOKOSA-N 2 1 232.371 2.698 10 0 BFAEMP CCC(CC)[NH2+]CC1(Cn2cc[nH+]c2C)CC1 ZINC000065430146 535078457 /nfs/dbraw/zinc/07/84/57/535078457.db2.gz AQZRVHPBSITOHB-UHFFFAOYSA-N 2 1 235.375 2.750 10 0 BFAEMP Cc1[nH+]ccn1[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052576239 180271028 /nfs/dbraw/zinc/27/10/28/180271028.db2.gz RFJGIJAPSZHMKO-HNNXBMFYSA-N 2 1 243.354 2.779 10 0 BFAEMP Cc1[nH+]ccn1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000023071143 180271259 /nfs/dbraw/zinc/27/12/59/180271259.db2.gz ROLPHDLJTPTQFQ-RWMBFGLXSA-N 2 1 235.375 2.906 10 0 BFAEMP Cc1[nH+]ccn1[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000023071149 180271509 /nfs/dbraw/zinc/27/15/09/180271509.db2.gz ROLPHDLJTPTQFQ-AGIUHOORSA-N 2 1 235.375 2.906 10 0 BFAEMP Cc1[nH+]ccn1[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042947342 180271691 /nfs/dbraw/zinc/27/16/91/180271691.db2.gz AXZNDGDADMEDRD-RNCFNFMXSA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]cn([C@@H](c2ccc(F)cc2)[C@H](C)[NH3+])c1C ZINC000051925578 180289385 /nfs/dbraw/zinc/28/93/85/180289385.db2.gz USIVZBSKHXVUDQ-LKFCYVNXSA-N 2 1 247.317 2.576 10 0 BFAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000054601804 350752685 /nfs/dbraw/zinc/75/26/85/350752685.db2.gz QMLGPIQAELZGKW-MQVJKMGUSA-N 2 1 244.382 2.792 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000307158310 351509575 /nfs/dbraw/zinc/50/95/75/351509575.db2.gz APCZMORMBBMDBL-ARFHVFGLSA-N 2 1 244.382 2.507 10 0 BFAEMP CC(C)([NH3+])CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000307726593 353097380 /nfs/dbraw/zinc/09/73/80/353097380.db2.gz DKFYNKLFCDGOGZ-UHFFFAOYSA-N 2 1 232.371 2.778 10 0 BFAEMP CCCC1(C[N@H+]2C[C@H]3CC[C@@H]2C3)CC[NH2+]CC1 ZINC000062850946 188013363 /nfs/dbraw/zinc/01/33/63/188013363.db2.gz TYFWHBMCEMXFOY-UONOGXRCSA-N 2 1 236.403 2.641 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000073656082 188288644 /nfs/dbraw/zinc/28/86/44/188288644.db2.gz IDGPGQKRXMCTNE-UONOGXRCSA-N 2 1 224.392 2.735 10 0 BFAEMP CC(C)[N@H+](Cc1ccccc1)C[C@@H](C)CC[NH3+] ZINC000130602546 363437152 /nfs/dbraw/zinc/43/71/52/363437152.db2.gz OMITXZJZBHXENN-AWEZNQCLSA-N 2 1 234.387 2.882 10 0 BFAEMP CC1(C)CC[C@H](C[NH3+])[N@H+](Cc2ccccc2)C1 ZINC000137329910 355771638 /nfs/dbraw/zinc/77/16/38/355771638.db2.gz VDAGBXWGHDYZND-CQSZACIVSA-N 2 1 232.371 2.636 10 0 BFAEMP CC1(C)CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2)C1 ZINC000137329910 355771640 /nfs/dbraw/zinc/77/16/40/355771640.db2.gz VDAGBXWGHDYZND-CQSZACIVSA-N 2 1 232.371 2.636 10 0 BFAEMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000390586869 357922164 /nfs/dbraw/zinc/92/21/64/357922164.db2.gz YIEGXIINZMXEQP-STQMWFEESA-N 2 1 226.408 2.743 10 0 BFAEMP CC[C@H]1CC[C@@H](CC[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000584652399 358307558 /nfs/dbraw/zinc/30/75/58/358307558.db2.gz JOLHHPBOZQCLKE-GJZGRUSLSA-N 2 1 238.419 2.983 10 0 BFAEMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576338 360027890 /nfs/dbraw/zinc/02/78/90/360027890.db2.gz FMVHKTRNCZBSAQ-NRXISQOPSA-N 2 1 238.419 2.744 10 0 BFAEMP [NH3+]C1CCC([N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000055144681 181341148 /nfs/dbraw/zinc/34/11/48/181341148.db2.gz NEGANWJWLIRYBE-FHERZECASA-N 2 1 244.382 2.746 10 0 BFAEMP CC1CCC(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399004114 364692207 /nfs/dbraw/zinc/69/22/07/364692207.db2.gz VVRROPOTMAPNCY-GNRIBBGQSA-N 2 1 224.392 2.543 10 0 BFAEMP CCC[N@@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)C1CC1 ZINC000055022714 169089691 /nfs/dbraw/zinc/08/96/91/169089691.db2.gz FYBBZQSMGQIVMP-AWEZNQCLSA-N 2 1 245.370 2.928 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000073654099 169209217 /nfs/dbraw/zinc/20/92/17/169209217.db2.gz OIENUARUPLILPL-ZBFHGGJFSA-N 2 1 246.398 2.897 10 0 BFAEMP CCC[NH2+]C[C@](C)(C[NH+](C)C)c1ccccc1 ZINC000051214427 169264406 /nfs/dbraw/zinc/26/44/06/169264406.db2.gz AUSJOXBKXLMZBC-OAHLLOKOSA-N 2 1 234.387 2.506 10 0 BFAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)C2CC2)cc1 ZINC000052445506 169267093 /nfs/dbraw/zinc/26/70/93/169267093.db2.gz LZUNYHFHQCRFSX-UHFFFAOYSA-N 2 1 232.371 2.780 10 0 BFAEMP c1ccc(C[N@H+]2CCC[C@@H]3CC[NH2+]CC[C@H]32)cc1 ZINC000096984992 183398871 /nfs/dbraw/zinc/39/88/71/183398871.db2.gz IGDDBRCILDMGLA-HZPDHXFCSA-N 2 1 244.382 2.651 10 0 BFAEMP c1ccc(C[N@H+]2CCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000096985038 183399008 /nfs/dbraw/zinc/39/90/08/183399008.db2.gz OLCFMFDATJAITK-MRXNPFEDSA-N 2 1 244.382 2.651 10 0 BFAEMP CCC[NH2+][C@@H](C)C[N@@H+]1CCCC[C@@H]1CC ZINC000044471887 169275304 /nfs/dbraw/zinc/27/53/04/169275304.db2.gz CGQOCXCFRRATRD-STQMWFEESA-N 2 1 212.381 2.639 10 0 BFAEMP CCC[NH2+][C@@H](C)C[N@H+]1CCCC[C@@H]1CC ZINC000044471887 169275306 /nfs/dbraw/zinc/27/53/06/169275306.db2.gz CGQOCXCFRRATRD-STQMWFEESA-N 2 1 212.381 2.639 10 0 BFAEMP CCC[NH2+][C@@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000037242061 169282197 /nfs/dbraw/zinc/28/21/97/169282197.db2.gz KVFURDWKZIBRTH-ROKHWSDSSA-N 2 1 224.392 2.639 10 0 BFAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000037242061 169282198 /nfs/dbraw/zinc/28/21/98/169282198.db2.gz KVFURDWKZIBRTH-ROKHWSDSSA-N 2 1 224.392 2.639 10 0 BFAEMP CCC[NH2+][C@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC000037242063 169291655 /nfs/dbraw/zinc/29/16/55/169291655.db2.gz KVFURDWKZIBRTH-MOKVOYLWSA-N 2 1 224.392 2.639 10 0 BFAEMP CCC[NH2+][C@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC000037242063 169291656 /nfs/dbraw/zinc/29/16/56/169291656.db2.gz KVFURDWKZIBRTH-MOKVOYLWSA-N 2 1 224.392 2.639 10 0 BFAEMP CCCC[N@H+]1CC[C@H]([NH+](CC)CC)[C@@H](C)C1 ZINC000226858920 134370473 /nfs/dbraw/zinc/37/04/73/134370473.db2.gz QMNXREIWCISFBQ-KBPBESRZSA-N 2 1 226.408 2.839 10 0 BFAEMP C[C@H]1C[C@H]([NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592741 384003154 /nfs/dbraw/zinc/00/31/54/384003154.db2.gz ZJJABKUGECYXQM-XFMPKHEZSA-N 2 1 232.371 2.633 10 0 BFAEMP C(C[NH+]1CCCC1)C[N@H+]1CCC2(CCCC2)C1 ZINC000162078129 384549181 /nfs/dbraw/zinc/54/91/81/384549181.db2.gz WSRQWWGYACDHTC-UHFFFAOYSA-N 2 1 236.403 2.738 10 0 BFAEMP CC[C@@H]1CCC[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000310378519 384803656 /nfs/dbraw/zinc/80/36/56/384803656.db2.gz PBQRZUVSSOQVRO-APIJFGDWSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@H](CC[N@@H+]1CC[C@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000310155275 384864881 /nfs/dbraw/zinc/86/48/81/384864881.db2.gz GWHVSGLTTHFXRJ-NFAWXSAZSA-N 2 1 232.371 2.602 10 0 BFAEMP C[C@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000310155278 384865748 /nfs/dbraw/zinc/86/57/48/384865748.db2.gz GWHVSGLTTHFXRJ-VNHYZAJKSA-N 2 1 232.371 2.602 10 0 BFAEMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]CC3)cc1 ZINC000096985139 385313799 /nfs/dbraw/zinc/31/37/99/385313799.db2.gz WJBVSOFJZOEPOL-MRXNPFEDSA-N 2 1 244.382 2.652 10 0 BFAEMP CC(C)CCC[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000309334576 385533701 /nfs/dbraw/zinc/53/37/01/385533701.db2.gz AHQMHMLWGAFRKV-KGLIPLIRSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)CCC[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000309334576 385533706 /nfs/dbraw/zinc/53/37/06/385533706.db2.gz AHQMHMLWGAFRKV-KGLIPLIRSA-N 2 1 226.408 2.741 10 0 BFAEMP C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414958764 385862898 /nfs/dbraw/zinc/86/28/98/385862898.db2.gz SHWGXAFJMQCFQF-DYEKYZERSA-N 2 1 224.392 2.685 10 0 BFAEMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396588721 386777006 /nfs/dbraw/zinc/77/70/06/386777006.db2.gz IWFBLIXCKFAGHU-UPJWGTAASA-N 2 1 226.408 2.931 10 0 BFAEMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396610131 387133664 /nfs/dbraw/zinc/13/36/64/387133664.db2.gz QOCSXSDNYOOJFC-MELADBBJSA-N 2 1 226.408 2.931 10 0 BFAEMP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000643525365 387750450 /nfs/dbraw/zinc/75/04/50/387750450.db2.gz ACYCWFABRGKSNM-SDDRHHMPSA-N 2 1 212.381 2.541 10 0 BFAEMP CCC1CCC([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000310359064 388481404 /nfs/dbraw/zinc/48/14/04/388481404.db2.gz JGWJIVBLBGLCJB-XSCHDIRWSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000335967923 134028743 /nfs/dbraw/zinc/02/87/43/134028743.db2.gz JSDWOQVPCMMEOU-UONOGXRCSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000335967923 134028744 /nfs/dbraw/zinc/02/87/44/134028744.db2.gz JSDWOQVPCMMEOU-UONOGXRCSA-N 2 1 236.403 2.735 10 0 BFAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000218921874 134268941 /nfs/dbraw/zinc/26/89/41/134268941.db2.gz KUNZWRKLMHPHLI-JSGCOSHPSA-N 2 1 235.375 2.607 10 0 BFAEMP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1C ZINC000227191336 134375090 /nfs/dbraw/zinc/37/50/90/134375090.db2.gz MKMVTGXHDWTMMS-XJKSGUPXSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1C ZINC000227191336 134375091 /nfs/dbraw/zinc/37/50/91/134375091.db2.gz MKMVTGXHDWTMMS-XJKSGUPXSA-N 2 1 246.398 2.863 10 0 BFAEMP CCc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000250507711 135056366 /nfs/dbraw/zinc/05/63/66/135056366.db2.gz JWIITYRUAWMYOD-XJKSGUPXSA-N 2 1 246.398 2.808 10 0 BFAEMP CCc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000250507711 135056367 /nfs/dbraw/zinc/05/63/67/135056367.db2.gz JWIITYRUAWMYOD-XJKSGUPXSA-N 2 1 246.398 2.808 10 0 BFAEMP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000164423135 135252103 /nfs/dbraw/zinc/25/21/03/135252103.db2.gz RDDJMNYHPYIXGR-ZIAGYGMSSA-N 2 1 226.408 2.885 10 0 BFAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000052545644 167103186 /nfs/dbraw/zinc/10/31/86/167103186.db2.gz ZKMDVLSWHTXOKK-ZDUSSCGKSA-N 2 1 238.375 2.878 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000053012604 167114399 /nfs/dbraw/zinc/11/43/99/167114399.db2.gz TZNNXASWEMWYDQ-CYBMUJFWSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)C[NH2+]CC(C)(C)C[N@@H+](C)CC1CCC1 ZINC000061484404 167002478 /nfs/dbraw/zinc/00/24/78/167002478.db2.gz SWSPBNWEIGQQKA-UHFFFAOYSA-N 2 1 240.435 2.990 10 0 BFAEMP CC(C)[NH2+]CC1(C[N@@H+](C)CC2CC2)CCCC1 ZINC000051249718 167100582 /nfs/dbraw/zinc/10/05/82/167100582.db2.gz KCOPVUVIWJJKHO-UHFFFAOYSA-N 2 1 238.419 2.887 10 0 BFAEMP CC1CCC([N@@H+](C)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000042472700 168159786 /nfs/dbraw/zinc/15/97/86/168159786.db2.gz ISLXJSLKCACDDK-HHTDUIENSA-N 2 1 224.392 2.624 10 0 BFAEMP CC1CCC([N@@H+](C)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000042472698 168160030 /nfs/dbraw/zinc/16/00/30/168160030.db2.gz ISLXJSLKCACDDK-FKZOYECMSA-N 2 1 224.392 2.624 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000073655848 170021230 /nfs/dbraw/zinc/02/12/30/170021230.db2.gz GKEFCBIUTIWLNC-ZFWWWQNUSA-N 2 1 232.371 2.649 10 0 BFAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346134 170118875 /nfs/dbraw/zinc/11/88/75/170118875.db2.gz SWTPGRNVPFIYAV-GFCCVEGCSA-N 2 1 238.350 2.503 10 0 BFAEMP CC[NH2+]C[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000053030883 170122620 /nfs/dbraw/zinc/12/26/20/170122620.db2.gz VNZHRFLZNCJGKE-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)CC)c(C)o1 ZINC000052444287 170125186 /nfs/dbraw/zinc/12/51/86/170125186.db2.gz QRYKOTKCCXCCMX-NSHDSACASA-N 2 1 238.375 2.928 10 0 BFAEMP CC[NH2+][C@@H](C)c1cc(F)ccc1-n1cc[nH+]c1C ZINC000034663926 170140918 /nfs/dbraw/zinc/14/09/18/170140918.db2.gz BBPLTVRNTPDZTN-JTQLQIEISA-N 2 1 247.317 2.990 10 0 BFAEMP CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000034663932 170140977 /nfs/dbraw/zinc/14/09/77/170140977.db2.gz VTVUEFHHKQGKHU-JTQLQIEISA-N 2 1 247.317 2.990 10 0 BFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC000053870079 170150155 /nfs/dbraw/zinc/15/01/55/170150155.db2.gz AVFICXIWBNALKF-HUUCEWRRSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](Cc2ccc(C)cc2)C[C@@H]1C ZINC000049708882 170151614 /nfs/dbraw/zinc/15/16/14/170151614.db2.gz JCIJCLIWIHMXCU-GOEBONIOSA-N 2 1 246.398 2.815 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C[C@@H]1C ZINC000049708882 170151616 /nfs/dbraw/zinc/15/16/16/170151616.db2.gz JCIJCLIWIHMXCU-GOEBONIOSA-N 2 1 246.398 2.815 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2cccc(C)c2)C[C@@H]1C ZINC000049712997 170151841 /nfs/dbraw/zinc/15/18/41/170151841.db2.gz CIMRMVOJKNURFY-GOEBONIOSA-N 2 1 246.398 2.815 10 0 BFAEMP CC[NH2+][C@H](C)[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598973 170158415 /nfs/dbraw/zinc/15/84/15/170158415.db2.gz SCTHICXXYHOHKR-FMKPAKJESA-N 2 1 246.398 2.862 10 0 BFAEMP CC[NH2+][C@H](C)[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598973 170158417 /nfs/dbraw/zinc/15/84/17/170158417.db2.gz SCTHICXXYHOHKR-FMKPAKJESA-N 2 1 246.398 2.862 10 0 BFAEMP CC[C@H](CC(F)F)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000662266520 412057865 /nfs/dbraw/zinc/05/78/65/412057865.db2.gz ICIXVXLQVCYBIC-NEPJUHHUSA-N 2 1 248.361 2.742 10 0 BFAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccco2)CCC[NH2+]1 ZINC000049666180 171015040 /nfs/dbraw/zinc/01/50/40/171015040.db2.gz UWLXFCDXCVCYPR-QWHCGFSZSA-N 2 1 236.359 2.805 10 0 BFAEMP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccco2)CCC[NH2+]1 ZINC000049666180 171015041 /nfs/dbraw/zinc/01/50/41/171015041.db2.gz UWLXFCDXCVCYPR-QWHCGFSZSA-N 2 1 236.359 2.805 10 0 BFAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H](n2c[nH+]c(C)c2C)C1 ZINC000051926077 171040582 /nfs/dbraw/zinc/04/05/82/171040582.db2.gz WDOPQXZNASQBHI-HZSPNIEDSA-N 2 1 235.375 2.826 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](C[N@H+]2CC[C@H](C)C2)C1 ZINC000053870368 171055822 /nfs/dbraw/zinc/05/58/22/171055822.db2.gz OSNBMIBPGXVMSR-XGUBFFRZSA-N 2 1 238.419 2.743 10 0 BFAEMP CCc1[nH+]ccn1[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000042419743 172029617 /nfs/dbraw/zinc/02/96/17/172029617.db2.gz ZMRSSUUXVBWINK-NWDGAFQWSA-N 2 1 221.348 2.668 10 0 BFAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccccc1Cl ZINC000043053387 172029658 /nfs/dbraw/zinc/02/96/58/172029658.db2.gz VNFREVYZPUDASJ-GFCCVEGCSA-N 2 1 249.745 2.647 10 0 BFAEMP C[N@@H+](CCC(N)=[NH2+])Cc1cccc2ccccc21 ZINC000039046728 172667201 /nfs/dbraw/zinc/66/72/01/172667201.db2.gz SAKOXGAPCDBJKB-UHFFFAOYSA-N 2 1 241.338 2.598 10 0 BFAEMP C[N@@H+](Cc1cccc(C(N)=[NH2+])c1)C1CCCCC1 ZINC000019503213 172860026 /nfs/dbraw/zinc/86/00/26/172860026.db2.gz FYRUJTVUAZOHKL-UHFFFAOYSA-N 2 1 245.370 2.735 10 0 BFAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1CCCCC1 ZINC000049633300 173004454 /nfs/dbraw/zinc/00/44/54/173004454.db2.gz TWDPDUJZADGUAX-CQSZACIVSA-N 2 1 224.392 2.783 10 0 BFAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]CCc1ccccc1 ZINC000049633302 173005845 /nfs/dbraw/zinc/00/58/45/173005845.db2.gz FWJZNYXNHXMROY-MRXNPFEDSA-N 2 1 246.398 2.693 10 0 BFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC1CCCC1)C2 ZINC000037739322 173206507 /nfs/dbraw/zinc/20/65/07/173206507.db2.gz KLKVVDMWBIDLAV-GOOCMWNKSA-N 2 1 236.403 2.782 10 0 BFAEMP C[NH2+]CC1(C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000051212039 173337979 /nfs/dbraw/zinc/33/79/79/173337979.db2.gz FSQUAWBVMQEILR-UHFFFAOYSA-N 2 1 246.398 2.898 10 0 BFAEMP C[NH2+]CCCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000062019094 173345484 /nfs/dbraw/zinc/34/54/84/173345484.db2.gz VJOHSPAYGURODN-LBPRGKRZSA-N 2 1 238.350 2.818 10 0 BFAEMP C[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425342 173349420 /nfs/dbraw/zinc/34/94/20/173349420.db2.gz PHXKLXFUNZVSEC-GFCCVEGCSA-N 2 1 238.350 2.646 10 0 BFAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1ccc(C)cc1 ZINC000039781813 173368999 /nfs/dbraw/zinc/36/89/99/173368999.db2.gz KMBHIUFYAROAJM-INIZCTEOSA-N 2 1 246.398 2.611 10 0 BFAEMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1ccc(C)cc1 ZINC000039781813 173369000 /nfs/dbraw/zinc/36/90/00/173369000.db2.gz KMBHIUFYAROAJM-INIZCTEOSA-N 2 1 246.398 2.611 10 0 BFAEMP C[NH2+]C[C@@](C)(C[N@@H+](C)C(C)C)c1ccccc1 ZINC000051210950 173372290 /nfs/dbraw/zinc/37/22/90/173372290.db2.gz CLYAKPMPHUTPGK-HNNXBMFYSA-N 2 1 234.387 2.504 10 0 BFAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000053031909 173382036 /nfs/dbraw/zinc/38/20/36/173382036.db2.gz BQCRBSLHPAEUMC-NWDGAFQWSA-N 2 1 238.400 2.659 10 0 BFAEMP C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1C ZINC000034825320 173385150 /nfs/dbraw/zinc/38/51/50/173385150.db2.gz SQHGHNKLUQYGAS-UHFFFAOYSA-N 2 1 235.718 2.554 10 0 BFAEMP C[NH2+]Cc1cc(C[N@@H+](C)C2CCCC2)oc1C ZINC000052444733 173386811 /nfs/dbraw/zinc/38/68/11/173386811.db2.gz LEPKXCLYPMGMNY-UHFFFAOYSA-N 2 1 236.359 2.682 10 0 BFAEMP C[C@@H](c1ccccn1)[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049666676 176027756 /nfs/dbraw/zinc/02/77/56/176027756.db2.gz JGFRCIJBEYPTAJ-MCIONIFRSA-N 2 1 247.386 2.605 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000035731273 176073723 /nfs/dbraw/zinc/07/37/23/176073723.db2.gz SRTRUOKCHVSCLA-UKRRQHHQSA-N 2 1 232.371 2.603 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000021953168 176073839 /nfs/dbraw/zinc/07/38/39/176073839.db2.gz NLRHNZPDJJMPKY-GFCCVEGCSA-N 2 1 218.344 2.520 10 0 BFAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1(C)CC[NH2+]CC1 ZINC000062841868 176087051 /nfs/dbraw/zinc/08/70/51/176087051.db2.gz LMTCDEUWEIIYOI-ZIAGYGMSSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000071249777 176102383 /nfs/dbraw/zinc/10/23/83/176102383.db2.gz IPMLGEPMODIPTO-LLVKDONJSA-N 2 1 236.334 2.516 10 0 BFAEMP C[C@@H]1CCC[N@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055016246 176109744 /nfs/dbraw/zinc/10/97/44/176109744.db2.gz HOMLBWUTRBVTEF-OCCSQVGLSA-N 2 1 218.344 2.561 10 0 BFAEMP C[C@@H]1CC[N@H+](C2CCCCCC2)CCC[NH2+]1 ZINC000049665827 176167045 /nfs/dbraw/zinc/16/70/45/176167045.db2.gz YSGHAIMAJLCPOL-CYBMUJFWSA-N 2 1 224.392 2.783 10 0 BFAEMP C[C@@H]1CC[N@@H+](CC2(C[NH2+]C3CC3)CCCC2)C1 ZINC000051249952 176167854 /nfs/dbraw/zinc/16/78/54/176167854.db2.gz RKLNLZUCRAXDDA-CYBMUJFWSA-N 2 1 236.403 2.641 10 0 BFAEMP C[C@@H]1C([NH3+])[C@H](C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592753 177060593 /nfs/dbraw/zinc/06/05/93/177060593.db2.gz ZOZDGKPSUAGAMX-HZWJRBNISA-N 2 1 246.398 2.879 10 0 BFAEMP C[C@H]1CC2(CCC2)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336596904 177068175 /nfs/dbraw/zinc/06/81/75/177068175.db2.gz AKJLFFSUNVWDAX-KBPBESRZSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@H]1CC2(CCC2)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336596904 177068176 /nfs/dbraw/zinc/06/81/76/177068176.db2.gz AKJLFFSUNVWDAX-KBPBESRZSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000050563631 177101310 /nfs/dbraw/zinc/10/13/10/177101310.db2.gz JAKVCJYYUINFEH-QWHCGFSZSA-N 2 1 232.371 2.766 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000022221978 177116770 /nfs/dbraw/zinc/11/67/70/177116770.db2.gz BKKDFQGYKDYOQB-BETUJISGSA-N 2 1 232.371 2.908 10 0 BFAEMP C[C@H]1CCC[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1 ZINC000026741657 177128461 /nfs/dbraw/zinc/12/84/61/177128461.db2.gz LHSNIQNSBQTYIU-LSDHHAIUSA-N 2 1 238.419 2.840 10 0 BFAEMP C[C@H]1CC[C@@H]([NH3+])[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000034781424 177192187 /nfs/dbraw/zinc/19/21/87/177192187.db2.gz LTPYDUURZCTDIC-APHBMKBZSA-N 2 1 244.382 2.561 10 0 BFAEMP C[C@H]1CC[C@@H]([NH3+])[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000034781424 177192188 /nfs/dbraw/zinc/19/21/88/177192188.db2.gz LTPYDUURZCTDIC-APHBMKBZSA-N 2 1 244.382 2.561 10 0 BFAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CCC2CCCC2)C1 ZINC000049666902 177285799 /nfs/dbraw/zinc/28/57/99/177285799.db2.gz DANFFYROHFOVGT-OKILXGFUSA-N 2 1 238.419 2.744 10 0 BFAEMP C[N@@H+](C[C@H]1CCCCC1(F)F)C1(C[NH3+])CCC1 ZINC000385362149 487782853 /nfs/dbraw/zinc/78/28/53/487782853.db2.gz WFGZBSJDEKGYDT-LLVKDONJSA-N 2 1 246.345 2.625 10 0 BFAEMP C[N@H+](C[C@H]1CCCCC1(F)F)C1(C[NH3+])CCC1 ZINC000385362149 487782848 /nfs/dbraw/zinc/78/28/48/487782848.db2.gz WFGZBSJDEKGYDT-LLVKDONJSA-N 2 1 246.345 2.625 10 0 BFAEMP CC1CCC(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000251962803 487808973 /nfs/dbraw/zinc/80/89/73/487808973.db2.gz XSAGVPKPGGNXRG-HHTDUIENSA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000258650194 322875591 /nfs/dbraw/zinc/87/55/91/322875591.db2.gz ANAUXRXCWUAUNZ-MRVPVSSYSA-N 2 1 247.169 2.820 10 0 BFAEMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)[C@@H]1C ZINC000396699208 323654823 /nfs/dbraw/zinc/65/48/23/323654823.db2.gz KNBLUGDNCQOPRX-PEBLQZBPSA-N 2 1 224.392 2.541 10 0 BFAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000053012244 488071939 /nfs/dbraw/zinc/07/19/39/488071939.db2.gz VMWSQEZYGAZBKQ-UONOGXRCSA-N 2 1 232.371 2.679 10 0 BFAEMP CCCCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757129093 582504688 /nfs/dbraw/zinc/50/46/88/582504688.db2.gz KRUQOKVZCCLUGV-UHFFFAOYSA-N 2 1 224.392 2.785 10 0 BFAEMP CC[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248374969 535567018 /nfs/dbraw/zinc/56/70/18/535567018.db2.gz VIGZLGZZVSPDSE-KGLIPLIRSA-N 2 1 247.386 2.922 10 0 BFAEMP CCCC[N@H+]1CC[C@H]([NH2+]C(C)C)C[C@H]1C ZINC000252475373 520595642 /nfs/dbraw/zinc/59/56/42/520595642.db2.gz ZDXRLQUXCNOFTA-OLZOCXBDSA-N 2 1 212.381 2.637 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000242495579 521721625 /nfs/dbraw/zinc/72/16/25/521721625.db2.gz GKEFCBIUTIWLNC-HIFRSBDPSA-N 2 1 232.371 2.649 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])[C@@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000247859924 525247613 /nfs/dbraw/zinc/24/76/13/525247613.db2.gz ZJJABKUGECYXQM-UKTARXLSSA-N 2 1 232.371 2.633 10 0 BFAEMP CC(C)C[N@H+]1C[C@@H]2CCC[C@@H](C[NH+](C)C)[C@H]2C1 ZINC000503720872 528027546 /nfs/dbraw/zinc/02/75/46/528027546.db2.gz WKDTVTPLLXPBOO-SOUVJXGZSA-N 2 1 238.419 2.552 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226858188 534949055 /nfs/dbraw/zinc/94/90/55/534949055.db2.gz XOMLVCHCRRGORR-UONOGXRCSA-N 2 1 224.392 2.593 10 0 BFAEMP CC[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248374969 535567014 /nfs/dbraw/zinc/56/70/14/535567014.db2.gz VIGZLGZZVSPDSE-KGLIPLIRSA-N 2 1 247.386 2.922 10 0 BFAEMP C[C@@H](C1CCC1)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757127986 582503561 /nfs/dbraw/zinc/50/35/61/582503561.db2.gz ILBDTSFFOUFXBO-VNHYZAJKSA-N 2 1 236.403 2.782 10 0 BFAEMP C[C@@H](C1CCC1)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757127967 582503624 /nfs/dbraw/zinc/50/36/24/582503624.db2.gz IHQYRYLFBZHNDC-KCQAQPDRSA-N 2 1 236.403 2.639 10 0 BFAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757129183 586425982 /nfs/dbraw/zinc/42/59/82/586425982.db2.gz KVPVSJYEQRWNOB-MGPQQGTHSA-N 2 1 224.392 2.637 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757131115 586426533 /nfs/dbraw/zinc/42/65/33/586426533.db2.gz PILGFWBOIHHMLK-GXTWGEPZSA-N 2 1 224.392 2.782 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757135280 586426874 /nfs/dbraw/zinc/42/68/74/586426874.db2.gz ZGVKGVINJVNHKC-TZMCWYRMSA-N 2 1 224.392 2.639 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132629 643258796 /nfs/dbraw/zinc/25/87/96/643258796.db2.gz ROJXGNDTUUGSQA-RDBSUJKOSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@H](C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709178899 712203690 /nfs/dbraw/zinc/20/36/90/712203690.db2.gz RKJPNLLNGRJTLA-AVGNSLFASA-N 2 1 226.408 2.585 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])C12C[C@H](C)C[C@@H](C)C2 ZINC000685952681 538896782 /nfs/dbraw/zinc/89/67/82/538896782.db2.gz BYJIOXRQMVALQH-UPJWGTAASA-N 2 1 224.392 2.624 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000685952699 538896870 /nfs/dbraw/zinc/89/68/70/538896870.db2.gz CCNDXQBWRBZZJH-OBJOEFQTSA-N 2 1 224.392 2.624 10 0 BFAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12CCCC(C)(C)C2 ZINC000685952692 538896881 /nfs/dbraw/zinc/89/68/81/538896881.db2.gz CBXMIICWJNIQHQ-JSGCOSHPSA-N 2 1 224.392 2.767 10 0 BFAEMP C[N@@H+](C[C@H]1CCCCC1(F)F)CC(C)(C)C[NH3+] ZINC000381584113 398254338 /nfs/dbraw/zinc/25/43/38/398254338.db2.gz CGKPNIOZJVKERC-LLVKDONJSA-N 2 1 248.361 2.729 10 0 BFAEMP [NH3+]C[C@@H]1CC[C@@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000382457285 361942940 /nfs/dbraw/zinc/94/29/40/361942940.db2.gz RPGBYSONIWYHEC-DGCLKSJQSA-N 2 1 241.338 2.774 10 0 BFAEMP CCC(CC)(CC)C[NH2+]CCn1cc[nH+]c1C ZINC000391202479 539027466 /nfs/dbraw/zinc/02/74/66/539027466.db2.gz OYXIEWOLZPBSAE-UHFFFAOYSA-N 2 1 237.391 2.998 10 0 BFAEMP CC(C)C[C@@](C)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000019807920 187253042 /nfs/dbraw/zinc/25/30/42/187253042.db2.gz LODJOZUDGSMGID-HNNXBMFYSA-N 2 1 234.387 2.882 10 0 BFAEMP CC(C)C[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000019807920 187253044 /nfs/dbraw/zinc/25/30/44/187253044.db2.gz LODJOZUDGSMGID-HNNXBMFYSA-N 2 1 234.387 2.882 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH+](CC)CC)[C@H](C)C1 ZINC000073654210 187260740 /nfs/dbraw/zinc/26/07/40/187260740.db2.gz QMNXREIWCISFBQ-ZIAGYGMSSA-N 2 1 226.408 2.839 10 0 BFAEMP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000409434717 343834869 /nfs/dbraw/zinc/83/48/69/343834869.db2.gz ZYGARFVDEQXMSA-HOTGVXAUSA-N 2 1 244.382 2.636 10 0 BFAEMP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000409434717 343834871 /nfs/dbraw/zinc/83/48/71/343834871.db2.gz ZYGARFVDEQXMSA-HOTGVXAUSA-N 2 1 244.382 2.636 10 0 BFAEMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC000394516013 346541833 /nfs/dbraw/zinc/54/18/33/346541833.db2.gz MFIKHFIXWPWQBD-YIYPIFLZSA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2CC[C@@H]([NH3+])[C@@H]21 ZINC000059243513 347228134 /nfs/dbraw/zinc/22/81/34/347228134.db2.gz GUUUROUIZZQBOM-FAAHXZRKSA-N 2 1 230.355 2.559 10 0 BFAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)CC2CC2)c1 ZINC000042966762 179204261 /nfs/dbraw/zinc/20/42/61/179204261.db2.gz CFVYJIZVWGUNQF-WFASDCNBSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000042966762 179204264 /nfs/dbraw/zinc/20/42/64/179204264.db2.gz CFVYJIZVWGUNQF-WFASDCNBSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1C[N@H+]1CCC[NH2+][C@H](C)CC1 ZINC000049666744 179273456 /nfs/dbraw/zinc/27/34/56/179273456.db2.gz SEQYFZJMHWAFCQ-CQSZACIVSA-N 2 1 232.371 2.569 10 0 BFAEMP Cc1ccccc1C[N@@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 ZINC000049666756 179275119 /nfs/dbraw/zinc/27/51/19/179275119.db2.gz HTQMNEZYOWEPOD-DZGCQCFKSA-N 2 1 246.398 2.815 10 0 BFAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000043033544 179328329 /nfs/dbraw/zinc/32/83/29/179328329.db2.gz LINCIIWFZAGVKR-DZGCQCFKSA-N 2 1 232.371 2.869 10 0 BFAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)CC1CC1 ZINC000043035900 179328944 /nfs/dbraw/zinc/32/89/44/179328944.db2.gz AYVDYYIARBMOJD-SWLSCSKDSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)CC1CC1 ZINC000043035900 179328947 /nfs/dbraw/zinc/32/89/47/179328947.db2.gz AYVDYYIARBMOJD-SWLSCSKDSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1[nH+]ccn1[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043053079 180271859 /nfs/dbraw/zinc/27/18/59/180271859.db2.gz YPXIBBOJKGDIAX-RNCFNFMXSA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]cn(Cc2cc(C[NH2+]C(C)C)co2)c1C ZINC000052593617 180288127 /nfs/dbraw/zinc/28/81/27/180288127.db2.gz MLFSBTDQOLLRJB-UHFFFAOYSA-N 2 1 247.342 2.639 10 0 BFAEMP CC[N@@H+](Cc1ccccc1)[C@@](C)(CC)C[NH3+] ZINC000034958051 351363953 /nfs/dbraw/zinc/36/39/53/351363953.db2.gz YKFQQVGEDSNIND-AWEZNQCLSA-N 2 1 220.360 2.636 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414933529 352340769 /nfs/dbraw/zinc/34/07/69/352340769.db2.gz AQPKBYLSXWAPDW-ATGSNQNLSA-N 2 1 236.403 2.685 10 0 BFAEMP C[C@H](CCC[NH3+])[N@@H+](Cc1ccccc1)C1CC1 ZINC000307392213 352569164 /nfs/dbraw/zinc/56/91/64/352569164.db2.gz YCZIZUOKMAMYMF-CYBMUJFWSA-N 2 1 232.371 2.778 10 0 BFAEMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000304248761 188250444 /nfs/dbraw/zinc/25/04/44/188250444.db2.gz GMOBSCZTLMWLKL-STQMWFEESA-N 2 1 226.408 2.728 10 0 BFAEMP CC(C)[C@H]([NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000039141066 188291156 /nfs/dbraw/zinc/29/11/56/188291156.db2.gz LUFYXZPJFMFWCR-OAHLLOKOSA-N 2 1 234.387 2.880 10 0 BFAEMP CC(C)[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000039141066 188291158 /nfs/dbraw/zinc/29/11/58/188291158.db2.gz LUFYXZPJFMFWCR-OAHLLOKOSA-N 2 1 234.387 2.880 10 0 BFAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](CCC2CCCC2)C1 ZINC000049666895 188299057 /nfs/dbraw/zinc/29/90/57/188299057.db2.gz MIJJOZILIUEPIL-ZIAGYGMSSA-N 2 1 238.419 2.887 10 0 BFAEMP NC(=[NH2+])CCCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000049579748 181186714 /nfs/dbraw/zinc/18/67/14/181186714.db2.gz ITUZNGOCMLAHDW-STQMWFEESA-N 2 1 237.391 2.605 10 0 BFAEMP CC[C@H]1CC[C@H](CC[NH+]2CCCC2)[N@@H+](C)C1 ZINC000584652211 358306798 /nfs/dbraw/zinc/30/67/98/358306798.db2.gz QQUFBQNUZZCFGO-UONOGXRCSA-N 2 1 224.392 2.593 10 0 BFAEMP Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000247207903 359202025 /nfs/dbraw/zinc/20/20/25/359202025.db2.gz WTPPQJOJWMQMMB-MJBXVCDLSA-N 2 1 248.370 2.865 10 0 BFAEMP CC(C)(C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683868 360269498 /nfs/dbraw/zinc/26/94/98/360269498.db2.gz DHOMAVAMWADMAX-CQSZACIVSA-N 2 1 238.419 2.840 10 0 BFAEMP CC1CCC(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399004112 364692512 /nfs/dbraw/zinc/69/25/12/364692512.db2.gz VVRROPOTMAPNCY-FKZOYECMSA-N 2 1 224.392 2.543 10 0 BFAEMP [NH3+]CCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000062621461 181371512 /nfs/dbraw/zinc/37/15/12/181371512.db2.gz VDFBDECHSSXEEK-MQVJKMGUSA-N 2 1 244.382 2.778 10 0 BFAEMP C[C@@H]1CC(C)(C)C[C@@H]1[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383474727 367626402 /nfs/dbraw/zinc/62/64/02/367626402.db2.gz QNCQRHSCGYZMCB-GUIRCDHDSA-N 2 1 238.419 2.728 10 0 BFAEMP c1cc(C2CC2)cc2[nH]c(C3CC[NH2+]CC3)nc12 ZINC000140082427 368346832 /nfs/dbraw/zinc/34/68/32/368346832.db2.gz PTMAQZLDISHYNF-UHFFFAOYSA-N 2 1 241.338 2.907 10 0 BFAEMP [NH3+]C[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000032625255 368374975 /nfs/dbraw/zinc/37/49/75/368374975.db2.gz AFHIMDPHXZNRAO-JKSUJKDBSA-N 2 1 244.382 2.638 10 0 BFAEMP Cc1cccc([C@H](C)[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631839318 372636408 /nfs/dbraw/zinc/63/64/08/372636408.db2.gz DNPUNODYVKHHBJ-YDHLFZDLSA-N 2 1 232.371 2.583 10 0 BFAEMP CCC[N@@H+](C[C@H](C[NH3+])c1ccccc1)C1CC1 ZINC000035731425 169172313 /nfs/dbraw/zinc/17/23/13/169172313.db2.gz OBVLIUDPCISDAY-AWEZNQCLSA-N 2 1 232.371 2.603 10 0 BFAEMP CCC[N@H+](C[C@](C)(C[NH3+])c1ccccc1)C1CC1 ZINC000051215865 169173182 /nfs/dbraw/zinc/17/31/82/169173182.db2.gz OHPKSIRQNWMETD-INIZCTEOSA-N 2 1 246.398 2.777 10 0 BFAEMP CCC[N@@H+](C[C@](C)(C[NH3+])c1ccccc1)C1CC1 ZINC000051215865 169173183 /nfs/dbraw/zinc/17/31/83/169173183.db2.gz OHPKSIRQNWMETD-INIZCTEOSA-N 2 1 246.398 2.777 10 0 BFAEMP CCC[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000082343942 169198688 /nfs/dbraw/zinc/19/86/88/169198688.db2.gz VDAFWCDMGOBUOX-HUUCEWRRSA-N 2 1 232.371 2.808 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH2+]C(C)(C)C)C[C@@H]1C ZINC000073655867 169208875 /nfs/dbraw/zinc/20/88/75/169208875.db2.gz APBZMGNEBUOJKJ-RYUDHWBXSA-N 2 1 212.381 2.637 10 0 BFAEMP CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000053031421 169264657 /nfs/dbraw/zinc/26/46/57/169264657.db2.gz NRVOHILIAOJYQH-OAHLLOKOSA-N 2 1 246.398 2.817 10 0 BFAEMP CCC[NH2+]Cc1coc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000052543871 169268998 /nfs/dbraw/zinc/26/89/98/169268998.db2.gz GNERBUWHHRNYJT-GXTWGEPZSA-N 2 1 248.370 2.764 10 0 BFAEMP c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096985037 183399753 /nfs/dbraw/zinc/39/97/53/183399753.db2.gz CSSSWROORKPTQD-CVEARBPZSA-N 2 1 244.382 2.651 10 0 BFAEMP c1ccc(C[N@@H+]2CCCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000096895228 183399915 /nfs/dbraw/zinc/39/99/15/183399915.db2.gz NUUAHFCEWHBQLZ-INIZCTEOSA-N 2 1 244.382 2.795 10 0 BFAEMP c1ccc(C[N@H+]2CCCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000096895228 183399918 /nfs/dbraw/zinc/39/99/18/183399918.db2.gz NUUAHFCEWHBQLZ-INIZCTEOSA-N 2 1 244.382 2.795 10 0 BFAEMP CCC[NH2+][C@@H](C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900080 169274541 /nfs/dbraw/zinc/27/45/41/169274541.db2.gz MUYHAMZKSVJTCV-SOUVJXGZSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[NH2+][C@@H](C)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900080 169274542 /nfs/dbraw/zinc/27/45/42/169274542.db2.gz MUYHAMZKSVJTCV-SOUVJXGZSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000222742896 134334270 /nfs/dbraw/zinc/33/42/70/134334270.db2.gz USEZABLOCATCPA-CYZMBNFOSA-N 2 1 238.400 2.881 10 0 BFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)C ZINC000090773378 384073867 /nfs/dbraw/zinc/07/38/67/384073867.db2.gz CURMWBGPLJNGSN-UONOGXRCSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)C ZINC000090773378 384073870 /nfs/dbraw/zinc/07/38/70/384073870.db2.gz CURMWBGPLJNGSN-UONOGXRCSA-N 2 1 226.408 2.741 10 0 BFAEMP C[C@H]([NH3+])CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000258650198 384936145 /nfs/dbraw/zinc/93/61/45/384936145.db2.gz ANAUXRXCWUAUNZ-QMMMGPOBSA-N 2 1 247.169 2.820 10 0 BFAEMP c1ccc2c(c1)cc[nH+]c2NCC[C@@H]1CC[NH2+]C1 ZINC000168722573 385383106 /nfs/dbraw/zinc/38/31/06/385383106.db2.gz WJRDGXAXKVYFAG-LBPRGKRZSA-N 2 1 241.338 2.646 10 0 BFAEMP c1ccc([C@H]2CCC[NH2+][C@H]2C[NH+]2CCCC2)cc1 ZINC000049587229 386803855 /nfs/dbraw/zinc/80/38/55/386803855.db2.gz GRHCSNBNLAGXFU-CVEARBPZSA-N 2 1 244.382 2.618 10 0 BFAEMP C[C@@H]1C[N@H+](C2CCC3(CC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423511800 387347310 /nfs/dbraw/zinc/34/73/10/387347310.db2.gz PDVGNEVOSHEOSR-TZMCWYRMSA-N 2 1 236.403 2.626 10 0 BFAEMP C[NH+](C)CCC[N@H+]1CCC2(C1)CCCCC2 ZINC000026744246 387527932 /nfs/dbraw/zinc/52/79/32/387527932.db2.gz BTBYSNYASSGQJU-UHFFFAOYSA-N 2 1 224.392 2.594 10 0 BFAEMP C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000575544940 387628781 /nfs/dbraw/zinc/62/87/81/387628781.db2.gz COWQYMXBOGPMMN-OAHLLOKOSA-N 2 1 232.371 2.651 10 0 BFAEMP C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000575544940 387628785 /nfs/dbraw/zinc/62/87/85/387628785.db2.gz COWQYMXBOGPMMN-OAHLLOKOSA-N 2 1 232.371 2.651 10 0 BFAEMP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000643525364 387749167 /nfs/dbraw/zinc/74/91/67/387749167.db2.gz ACYCWFABRGKSNM-GRYCIOLGSA-N 2 1 212.381 2.541 10 0 BFAEMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396654739 387932355 /nfs/dbraw/zinc/93/23/55/387932355.db2.gz FMKAJRNFJPIYRN-RFQIPJPRSA-N 2 1 224.392 2.685 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000396647722 387928446 /nfs/dbraw/zinc/92/84/46/387928446.db2.gz CQBBIOUPQBORGK-RWMBFGLXSA-N 2 1 224.392 2.685 10 0 BFAEMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)[C@@H]1C[C@@H]1C ZINC000322211008 388032621 /nfs/dbraw/zinc/03/26/21/388032621.db2.gz UJTPFBMQFJGJJM-XQLPTFJDSA-N 2 1 238.419 2.741 10 0 BFAEMP C[C@@H](C[NH3+])CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000086634515 388105869 /nfs/dbraw/zinc/10/58/69/388105869.db2.gz AHDSVPNVXYWWDR-VIFPVBQESA-N 2 1 249.745 2.895 10 0 BFAEMP CC[N@@H+]1CC[C@H]([NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000245683982 388427547 /nfs/dbraw/zinc/42/75/47/388427547.db2.gz UVPHZKKETRGPHZ-JSGCOSHPSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000245683982 388427549 /nfs/dbraw/zinc/42/75/49/388427549.db2.gz UVPHZKKETRGPHZ-JSGCOSHPSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH+]1CC[C@H]([N@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000245683982 388427552 /nfs/dbraw/zinc/42/75/52/388427552.db2.gz UVPHZKKETRGPHZ-JSGCOSHPSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH+]1CC[C@H]([N@@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000245683982 388427556 /nfs/dbraw/zinc/42/75/56/388427556.db2.gz UVPHZKKETRGPHZ-JSGCOSHPSA-N 2 1 224.392 2.591 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000250749308 135058314 /nfs/dbraw/zinc/05/83/14/135058314.db2.gz NHYJZRVGCJQECM-CABCVRRESA-N 2 1 232.371 2.677 10 0 BFAEMP Cc1cccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261541033 135180751 /nfs/dbraw/zinc/18/07/51/135180751.db2.gz ITFQMMQGSNAAGA-ZFWWWQNUSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261541033 135180753 /nfs/dbraw/zinc/18/07/53/135180753.db2.gz ITFQMMQGSNAAGA-ZFWWWQNUSA-N 2 1 232.371 2.554 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000080456941 135375001 /nfs/dbraw/zinc/37/50/01/135375001.db2.gz GCXUWECXSVUOCB-RDBSUJKOSA-N 2 1 236.403 2.639 10 0 BFAEMP CC(C)C[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 ZINC000073656329 167012435 /nfs/dbraw/zinc/01/24/35/167012435.db2.gz NKTOUSHHUKBFNH-ZIAGYGMSSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)C[NH2+]CCCC[N@@H+](C)Cc1ccncc1 ZINC000052480863 167002987 /nfs/dbraw/zinc/00/29/87/167002987.db2.gz MHEBZWZFZCHGBK-UHFFFAOYSA-N 2 1 249.402 2.539 10 0 BFAEMP CC(C)C[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 ZINC000073656330 167012651 /nfs/dbraw/zinc/01/26/51/167012651.db2.gz NKTOUSHHUKBFNH-UONOGXRCSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)C[NH2+][C@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 ZINC000073656336 167014724 /nfs/dbraw/zinc/01/47/24/167014724.db2.gz NKTOUSHHUKBFNH-KBPBESRZSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C[C@H]1C ZINC000073654331 167015377 /nfs/dbraw/zinc/01/53/77/167015377.db2.gz RPYGRNVBGBBXJN-KGLIPLIRSA-N 2 1 226.408 2.598 10 0 BFAEMP CC(C)[NH2+]Cc1occc1C[N@H+]1CC[C@@H](C)C1 ZINC000052484436 167124074 /nfs/dbraw/zinc/12/40/74/167124074.db2.gz FBWIUEOETHYBPM-GFCCVEGCSA-N 2 1 236.359 2.619 10 0 BFAEMP CC[NH+](CC)CC[C@@H]([NH2+]C)c1cccc(F)c1 ZINC000053976411 169783947 /nfs/dbraw/zinc/78/39/47/169783947.db2.gz TZXFLKIHBBIDIX-CQSZACIVSA-N 2 1 238.350 2.818 10 0 BFAEMP C[C@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000304362911 411361113 /nfs/dbraw/zinc/36/11/13/411361113.db2.gz YWASRZWMGFHSGW-OLZOCXBDSA-N 2 1 226.408 2.743 10 0 BFAEMP CC1CCC(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000063145757 411342966 /nfs/dbraw/zinc/34/29/66/411342966.db2.gz XSAGVPKPGGNXRG-GNRIBBGQSA-N 2 1 224.392 2.624 10 0 BFAEMP CC1CCC(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000063144870 168155102 /nfs/dbraw/zinc/15/51/02/168155102.db2.gz CJOCWUGGRGZRMD-YMAMQOFZSA-N 2 1 238.419 2.744 10 0 BFAEMP CC1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000063144869 168155481 /nfs/dbraw/zinc/15/54/81/168155481.db2.gz CJOCWUGGRGZRMD-NRXISQOPSA-N 2 1 238.419 2.744 10 0 BFAEMP CC1CCC([N@@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)CC1 ZINC000049665446 168159882 /nfs/dbraw/zinc/15/98/82/168159882.db2.gz CVTKLSOOZUKGMU-HFDVOGEKSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000304362908 411503582 /nfs/dbraw/zinc/50/35/82/411503582.db2.gz YWASRZWMGFHSGW-CHWSQXEVSA-N 2 1 226.408 2.743 10 0 BFAEMP CC[NH2+]C(C)(C)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000061299955 170107561 /nfs/dbraw/zinc/10/75/61/170107561.db2.gz LFGIJBGTTLSHLH-HNNXBMFYSA-N 2 1 246.398 2.864 10 0 BFAEMP CC[NH2+]C(C)(C)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000061299955 170107562 /nfs/dbraw/zinc/10/75/62/170107562.db2.gz LFGIJBGTTLSHLH-HNNXBMFYSA-N 2 1 246.398 2.864 10 0 BFAEMP CC[NH2+]C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037537034 170108488 /nfs/dbraw/zinc/10/84/88/170108488.db2.gz AJZBMXXCCLLXMN-UHFFFAOYSA-N 2 1 232.371 2.569 10 0 BFAEMP CC[NH2+]C1CC[NH+]([C@H](C)c2cccs2)CC1 ZINC000037483670 170109535 /nfs/dbraw/zinc/10/95/35/170109535.db2.gz SRHQATCDZACPHO-LLVKDONJSA-N 2 1 238.400 2.883 10 0 BFAEMP CC[NH2+]C[C@@](C)(CC)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000051207075 170121190 /nfs/dbraw/zinc/12/11/90/170121190.db2.gz FNEFGVNCAUYSTC-QLFBSQMISA-N 2 1 240.435 2.990 10 0 BFAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)CC1CC1 ZINC000052483708 170128317 /nfs/dbraw/zinc/12/83/17/170128317.db2.gz FSLWGRQYZORCEL-UHFFFAOYSA-N 2 1 232.371 2.638 10 0 BFAEMP CC[NH2+]Cc1ccoc1C[N@H+]1CCC[C@H]1CC ZINC000052374952 170128931 /nfs/dbraw/zinc/12/89/31/170128931.db2.gz WSQKVMZBDWHODV-CYBMUJFWSA-N 2 1 236.359 2.764 10 0 BFAEMP CC[NH2+][C@@H](C)c1c(F)cccc1-n1cc[nH+]c1C ZINC000034663914 170141228 /nfs/dbraw/zinc/14/12/28/170141228.db2.gz KCJJSLFXOWYALT-JTQLQIEISA-N 2 1 247.317 2.990 10 0 BFAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000053869332 170150348 /nfs/dbraw/zinc/15/03/48/170150348.db2.gz JAGAJSHGYLZKAU-HZPDHXFCSA-N 2 1 244.382 2.780 10 0 BFAEMP CC[NH2+][C@@H]1CCCC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926672 170150827 /nfs/dbraw/zinc/15/08/27/170150827.db2.gz ZWMYKQROYPQZSS-OLZOCXBDSA-N 2 1 221.348 2.593 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](C(C2CC2)C2CC2)[C@H](C)C1 ZINC000049713721 170151897 /nfs/dbraw/zinc/15/18/97/170151897.db2.gz IEJMNSDGLUJYLY-BXUZGUMPSA-N 2 1 236.403 2.637 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000049709492 170152527 /nfs/dbraw/zinc/15/25/27/170152527.db2.gz IVYQQCBKNZFUIC-BYNSBNAKSA-N 2 1 238.419 2.885 10 0 BFAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)C1CC1 ZINC000054554864 170152832 /nfs/dbraw/zinc/15/28/32/170152832.db2.gz DBAYXYNLSWSJBL-YUELXQCFSA-N 2 1 238.419 2.883 10 0 BFAEMP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)C1CC1 ZINC000054554864 170152833 /nfs/dbraw/zinc/15/28/33/170152833.db2.gz DBAYXYNLSWSJBL-YUELXQCFSA-N 2 1 238.419 2.883 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710698 170166721 /nfs/dbraw/zinc/16/67/21/170166721.db2.gz UAUVMZBHXCDWCA-OCCSQVGLSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C1 ZINC000052340285 170167797 /nfs/dbraw/zinc/16/77/97/170167797.db2.gz JXIZOKLXUIKYRP-JSGCOSHPSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CC(C)(C)C)CC[C@H](C)[NH2+]1 ZINC000049667079 171008049 /nfs/dbraw/zinc/00/80/49/171008049.db2.gz ZCVYSBFKXOYMLR-QWHCGFSZSA-N 2 1 226.408 2.885 10 0 BFAEMP CC[C@@H]1CC[N@H+](C2CCCCC2)CCC[NH2+]1 ZINC000049665009 171008736 /nfs/dbraw/zinc/00/87/36/171008736.db2.gz ANKQONZQODDCOE-CYBMUJFWSA-N 2 1 224.392 2.783 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC000061484547 171056224 /nfs/dbraw/zinc/05/62/24/171056224.db2.gz PKYQSFBRIZGQBO-SNPRPXQTSA-N 2 1 238.419 2.872 10 0 BFAEMP CC[C@H](C)C[N@@H+](C)Cc1cc(C[NH2+]C)c(C)o1 ZINC000052453975 171274101 /nfs/dbraw/zinc/27/41/01/171274101.db2.gz QAVRZHGFYZHVBZ-NSHDSACASA-N 2 1 238.375 2.785 10 0 BFAEMP CC[C@H](C)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000120552909 171279631 /nfs/dbraw/zinc/27/96/31/171279631.db2.gz KBBGWZVRTSBDEB-ZDUSSCGKSA-N 2 1 249.402 2.721 10 0 BFAEMP CC[C@H](C)[N@@H+](CCCCCCC[NH3+])CCOC ZINC000042593201 171313059 /nfs/dbraw/zinc/31/30/59/171313059.db2.gz CMVOMZXPAQBJBY-AWEZNQCLSA-N 2 1 244.423 2.643 10 0 BFAEMP CC[C@H](C)[N@@H+](CCC[NH2+]C(C)(C)C)CCOC ZINC000042590300 171314274 /nfs/dbraw/zinc/31/42/74/171314274.db2.gz OYFBCAJDGKOYPV-ZDUSSCGKSA-N 2 1 244.423 2.512 10 0 BFAEMP CC[C@H]1CCC[N@@H+](CC2CCC([NH3+])CC2)C1 ZINC000037482502 171615889 /nfs/dbraw/zinc/61/58/89/171615889.db2.gz CFEBZUCBIOHJDX-HSBZDZAISA-N 2 1 224.392 2.626 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042973273 172029224 /nfs/dbraw/zinc/02/92/24/172029224.db2.gz HPBALFGLOSABAO-IINYFYTJSA-N 2 1 247.317 2.521 10 0 BFAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1(C)CCCC1 ZINC000052205844 173006996 /nfs/dbraw/zinc/00/69/96/173006996.db2.gz NVRLLMMEHZTIPR-ZDUSSCGKSA-N 2 1 224.392 2.783 10 0 BFAEMP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1Cl ZINC000082328951 173040919 /nfs/dbraw/zinc/04/09/19/173040919.db2.gz VKAIABXIRNNQBB-MFKMUULPSA-N 2 1 238.762 2.682 10 0 BFAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1Cl ZINC000082328951 173040922 /nfs/dbraw/zinc/04/09/22/173040922.db2.gz VKAIABXIRNNQBB-MFKMUULPSA-N 2 1 238.762 2.682 10 0 BFAEMP C[NH2+]CC[C@H](C)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505389 173358184 /nfs/dbraw/zinc/35/81/84/173358184.db2.gz JSSMCXRRVXCZTD-QWRGUYRKSA-N 2 1 238.400 2.665 10 0 BFAEMP C[NH2+]CC[C@H](C)[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505389 173358185 /nfs/dbraw/zinc/35/81/85/173358185.db2.gz JSSMCXRRVXCZTD-QWRGUYRKSA-N 2 1 238.400 2.665 10 0 BFAEMP C[NH2+]C[C@](C)(C[N@@H+](C)C(C)C)c1ccccc1 ZINC000051210947 173383336 /nfs/dbraw/zinc/38/33/36/173383336.db2.gz CLYAKPMPHUTPGK-OAHLLOKOSA-N 2 1 234.387 2.504 10 0 BFAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052504328 173391146 /nfs/dbraw/zinc/39/11/46/173391146.db2.gz KOAKSURYJWUHJT-NSHDSACASA-N 2 1 238.375 2.865 10 0 BFAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)CC1CCCC1 ZINC000110922171 173391820 /nfs/dbraw/zinc/39/18/20/173391820.db2.gz CMUGOXSLHSRCOV-UHFFFAOYSA-N 2 1 236.359 2.621 10 0 BFAEMP C[NH2+]Cc1occc1C[N@@H+](C)C1CCCCC1 ZINC000052419305 173399674 /nfs/dbraw/zinc/39/96/74/173399674.db2.gz YABKGCKVDZAOTN-UHFFFAOYSA-N 2 1 236.359 2.764 10 0 BFAEMP COCCC[N@@H+](C)CCCCC[NH2+]C(C)(C)C ZINC000062036179 174215346 /nfs/dbraw/zinc/21/53/46/174215346.db2.gz LUMADCMBDLUATK-UHFFFAOYSA-N 2 1 244.423 2.513 10 0 BFAEMP C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539652 176021094 /nfs/dbraw/zinc/02/10/94/176021094.db2.gz OKUQYXWTNFCHKW-GXTWGEPZSA-N 2 1 218.344 2.561 10 0 BFAEMP C[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539652 176021096 /nfs/dbraw/zinc/02/10/96/176021096.db2.gz OKUQYXWTNFCHKW-GXTWGEPZSA-N 2 1 218.344 2.561 10 0 BFAEMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000049713937 176025594 /nfs/dbraw/zinc/02/55/94/176025594.db2.gz UAPHPNRVYJDBTQ-GRYCIOLGSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000049713937 176025597 /nfs/dbraw/zinc/02/55/97/176025597.db2.gz UAPHPNRVYJDBTQ-GRYCIOLGSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccoc1C[NH3+] ZINC000052546711 176086998 /nfs/dbraw/zinc/08/69/98/176086998.db2.gz WRFAKEFUDJJVAN-DGCLKSJQSA-N 2 1 236.359 2.749 10 0 BFAEMP C[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CC1CCC1 ZINC000061486492 176088172 /nfs/dbraw/zinc/08/81/72/176088172.db2.gz SWSYTOMEKNDSNS-UKRRQHHQSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CC1CCC1 ZINC000061486492 176088174 /nfs/dbraw/zinc/08/81/74/176088174.db2.gz SWSYTOMEKNDSNS-UKRRQHHQSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@@H]1CCC[N@@H+](CC2CCC([NH3+])CC2)[C@@H]1C ZINC000050566811 176097037 /nfs/dbraw/zinc/09/70/37/176097037.db2.gz RRVFMDLYUOKPCJ-IWMBGFJWSA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH3+])CC1 ZINC000104346199 176101130 /nfs/dbraw/zinc/10/11/30/176101130.db2.gz OQGNUPJNIHUNMG-CYBMUJFWSA-N 2 1 232.371 2.767 10 0 BFAEMP C[C@@H]1CCC[N@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000052375959 176110041 /nfs/dbraw/zinc/11/00/41/176110041.db2.gz ULIVEUHDWHDJOB-LLVKDONJSA-N 2 1 244.338 2.876 10 0 BFAEMP C[C@@H]1C[N@H+](C2CCCCCCC2)CC[C@@H]1[NH3+] ZINC000049707689 176283609 /nfs/dbraw/zinc/28/36/09/176283609.db2.gz MKRFQBCRVWGDGO-OCCSQVGLSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H]1CCCC[N@H+]1CCCN1CCCCC1=[NH2+] ZINC000049583943 177074883 /nfs/dbraw/zinc/07/48/83/177074883.db2.gz ASZSAPJNFJOKJC-ZDUSSCGKSA-N 2 1 237.391 2.714 10 0 BFAEMP C[C@H]1CCC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050952296 177097439 /nfs/dbraw/zinc/09/74/39/177097439.db2.gz KHNWNGKEWGPGAU-KBPBESRZSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@H]1CCC[C@H]([N@@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)C1 ZINC000049665913 177135271 /nfs/dbraw/zinc/13/52/71/177135271.db2.gz UTFXWHRQBYJXGN-XQLPTFJDSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@H]1CC[N@H+](C2CCCCCC2)CCC[NH2+]1 ZINC000049665828 177157500 /nfs/dbraw/zinc/15/75/00/177157500.db2.gz YSGHAIMAJLCPOL-ZDUSSCGKSA-N 2 1 224.392 2.783 10 0 BFAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC1(C[NH3+])CCCC1 ZINC000051748514 177158270 /nfs/dbraw/zinc/15/82/70/177158270.db2.gz FPNFEOQEDISWAF-QWHCGFSZSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@@H](c1ccccc1)[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049664291 177169416 /nfs/dbraw/zinc/16/94/16/177169416.db2.gz LKOSVPVEKJHUSB-KBPBESRZSA-N 2 1 232.371 2.822 10 0 BFAEMP C[C@@H](c1cccnc1)[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049666644 177170101 /nfs/dbraw/zinc/17/01/01/177170101.db2.gz FXCUCDBVOQLFAR-IHRRRGAJSA-N 2 1 247.386 2.605 10 0 BFAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C2CCCCCC2)C1 ZINC000049665847 177285187 /nfs/dbraw/zinc/28/51/87/177285187.db2.gz LTMCRXHWDGKLRQ-OKILXGFUSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1C[C@H]1C[N@@H+](C)CCC[NH2+]C1CCCCC1 ZINC000104409579 177378448 /nfs/dbraw/zinc/37/84/48/177378448.db2.gz LKYCTJZHJXBTQB-KBPBESRZSA-N 2 1 238.419 2.887 10 0 BFAEMP CC1CCC(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000251962799 487808940 /nfs/dbraw/zinc/80/89/40/487808940.db2.gz XSAGVPKPGGNXRG-FKZOYECMSA-N 2 1 224.392 2.624 10 0 BFAEMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(C)c1 ZINC000235327744 487942946 /nfs/dbraw/zinc/94/29/46/487942946.db2.gz NBVZGBWNORTUPF-ILXRZTDVSA-N 2 1 246.398 2.952 10 0 BFAEMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000401644550 323102488 /nfs/dbraw/zinc/10/24/88/323102488.db2.gz KIAWYMWTFFEGTF-CHWSQXEVSA-N 2 1 249.402 2.767 10 0 BFAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000396709198 323653194 /nfs/dbraw/zinc/65/31/94/323653194.db2.gz OSAINGBWQUJQHL-SCRDCRAPSA-N 2 1 224.392 2.685 10 0 BFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)C ZINC000125861921 490466433 /nfs/dbraw/zinc/46/64/33/490466433.db2.gz SPUWWICPZZKNDA-CYBMUJFWSA-N 2 1 226.408 2.743 10 0 BFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)C ZINC000125861921 490466436 /nfs/dbraw/zinc/46/64/36/490466436.db2.gz SPUWWICPZZKNDA-CYBMUJFWSA-N 2 1 226.408 2.743 10 0 BFAEMP CC(C)C[N@H+]1CC[C@@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000252475081 519730838 /nfs/dbraw/zinc/73/08/38/519730838.db2.gz SHIIZRSXHKBODQ-HUUCEWRRSA-N 2 1 238.419 2.839 10 0 BFAEMP C[C@H]1[NH2+]CCC[C@]12CCC[N@H+]2CCC1CCC1 ZINC000757129404 582503889 /nfs/dbraw/zinc/50/38/89/582503889.db2.gz LGKZCQLUWQUAMC-HIFRSBDPSA-N 2 1 236.403 2.783 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757131009 582505978 /nfs/dbraw/zinc/50/59/78/582505978.db2.gz OXAPGDDMHKQIDJ-JSGCOSHPSA-N 2 1 224.392 2.782 10 0 BFAEMP CC(C)[C@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757129186 586425886 /nfs/dbraw/zinc/42/58/86/586425886.db2.gz KVPVSJYEQRWNOB-RDBSUJKOSA-N 2 1 224.392 2.637 10 0 BFAEMP [NH3+]CCCCCCNc1cc[nH+]cc1Cl ZINC000236166673 632891489 /nfs/dbraw/zinc/89/14/89/632891489.db2.gz GUHZKRWVUMLNDN-UHFFFAOYSA-N 2 1 227.739 2.666 10 0 BFAEMP CCC[N@H+](CC)CC[NH2+]CCc1ccccc1 ZINC000232015147 641229458 /nfs/dbraw/zinc/22/94/58/641229458.db2.gz AVYAZBLOYZYBGU-UHFFFAOYSA-N 2 1 234.387 2.551 10 0 BFAEMP CCC[N@@H+](CC)CC[NH2+]CCc1ccccc1 ZINC000232015147 641229466 /nfs/dbraw/zinc/22/94/66/641229466.db2.gz AVYAZBLOYZYBGU-UHFFFAOYSA-N 2 1 234.387 2.551 10 0 BFAEMP CC(C)[N@H+]1CCC[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757572078 644850897 /nfs/dbraw/zinc/85/08/97/644850897.db2.gz NYWACMDLYGNPML-HNNXBMFYSA-N 2 1 232.371 2.733 10 0 BFAEMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccoc2)CC1 ZINC000714754327 712497678 /nfs/dbraw/zinc/49/76/78/712497678.db2.gz RLDUOSYRCZITIX-LLVKDONJSA-N 2 1 222.332 2.544 10 0 BFAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C12C[C@H](C)C[C@@H](C)C2 ZINC000685955143 538900519 /nfs/dbraw/zinc/90/05/19/538900519.db2.gz ULZDRCOAEHUBHH-UPJWGTAASA-N 2 1 224.392 2.623 10 0 BFAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685955142 538900872 /nfs/dbraw/zinc/90/08/72/538900872.db2.gz ULZDRCOAEHUBHH-RQJABVFESA-N 2 1 224.392 2.623 10 0 BFAEMP CCC1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C(C)C ZINC000685952998 538896413 /nfs/dbraw/zinc/89/64/13/538896413.db2.gz FFWSVSIBGRUQKF-MOKVOYLWSA-N 2 1 224.392 2.767 10 0 BFAEMP CCCC1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2CC ZINC000685952521 538896547 /nfs/dbraw/zinc/89/65/47/538896547.db2.gz ABLBEXAELATDPH-MOKVOYLWSA-N 2 1 224.392 2.768 10 0 BFAEMP Cc1cc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)o1 ZINC000040749197 178243920 /nfs/dbraw/zinc/24/39/20/178243920.db2.gz VCSIQZYTSLSHLM-HLVVYCRESA-N 2 1 248.370 2.912 10 0 BFAEMP CCC(CC)[N@@H+](CCCCCC[NH3+])CCOC ZINC000042681755 168371419 /nfs/dbraw/zinc/37/14/19/168371419.db2.gz FFOIBBRIHJEJMA-UHFFFAOYSA-N 2 1 244.423 2.643 10 0 BFAEMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)C ZINC000167383948 361864833 /nfs/dbraw/zinc/86/48/33/361864833.db2.gz XTWPKJOUCMCYSS-ZDUSSCGKSA-N 2 1 226.408 2.885 10 0 BFAEMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)c2ccsc2)C1 ZINC000381656291 539005866 /nfs/dbraw/zinc/00/58/66/539005866.db2.gz FIGWMCQYEIEZPB-DMDPSCGWSA-N 2 1 238.400 2.739 10 0 BFAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000381344076 538998675 /nfs/dbraw/zinc/99/86/75/538998675.db2.gz YJLYPOLABVVPOQ-OLZOCXBDSA-N 2 1 228.424 2.989 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](CCC2CCCC2)[C@@H](C)C1 ZINC000049713048 187270564 /nfs/dbraw/zinc/27/05/64/187270564.db2.gz BEKAWVSTFJICDW-GXTWGEPZSA-N 2 1 224.392 2.639 10 0 BFAEMP C=Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000409423397 343815207 /nfs/dbraw/zinc/81/52/07/343815207.db2.gz NYQCPQNYSAOCIV-OAHLLOKOSA-N 2 1 230.355 2.500 10 0 BFAEMP CC[NH2+][C@H](C)CC[N@@H+](CC)Cc1ccccc1 ZINC000061274976 344901380 /nfs/dbraw/zinc/90/13/80/344901380.db2.gz ODYKUHPBFATKCJ-CQSZACIVSA-N 2 1 234.387 2.897 10 0 BFAEMP Cc1cccc(C[N@H+](C)CC2(C[NH3+])CCCC2)c1 ZINC000051286254 179063426 /nfs/dbraw/zinc/06/34/26/179063426.db2.gz PSEYTFLJWGPVNU-UHFFFAOYSA-N 2 1 246.398 2.946 10 0 BFAEMP Cc1cccc(C[N@@H+](C)CCCCC(N)=[NH2+])c1 ZINC000049579772 179065895 /nfs/dbraw/zinc/06/58/95/179065895.db2.gz SELMNZZSDPWAHU-UHFFFAOYSA-N 2 1 233.359 2.533 10 0 BFAEMP Cc1cccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000235670955 179081228 /nfs/dbraw/zinc/08/12/28/179081228.db2.gz ITFQMMQGSNAAGA-DZGCQCFKSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000235670955 179081231 /nfs/dbraw/zinc/08/12/31/179081231.db2.gz ITFQMMQGSNAAGA-DZGCQCFKSA-N 2 1 232.371 2.554 10 0 BFAEMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH3+])[C@H]2C)C1 ZINC000394515848 346542195 /nfs/dbraw/zinc/54/21/95/346542195.db2.gz MFIKHFIXWPWQBD-MQYQWHSLSA-N 2 1 224.392 2.624 10 0 BFAEMP Cc1cccc([C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193598500 179180671 /nfs/dbraw/zinc/18/06/71/179180671.db2.gz ITFATMKLVXPUOW-BMFZPTHFSA-N 2 1 244.382 2.549 10 0 BFAEMP Cc1cccc([C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193598500 179180672 /nfs/dbraw/zinc/18/06/72/179180672.db2.gz ITFATMKLVXPUOW-BMFZPTHFSA-N 2 1 244.382 2.549 10 0 BFAEMP Cc1cccc([C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193598500 179180674 /nfs/dbraw/zinc/18/06/74/179180674.db2.gz ITFATMKLVXPUOW-BMFZPTHFSA-N 2 1 244.382 2.549 10 0 BFAEMP Cc1[nH+]cn([C@@H](c2cccc(C)c2)[C@H](C)[NH3+])c1C ZINC000051925781 179189773 /nfs/dbraw/zinc/18/97/73/179189773.db2.gz GDDQMUXOKYQGIS-XHDPSFHLSA-N 2 1 243.354 2.745 10 0 BFAEMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037646080 179321494 /nfs/dbraw/zinc/32/14/94/179321494.db2.gz LPERBAKPRKQMBQ-KGLIPLIRSA-N 2 1 232.371 2.597 10 0 BFAEMP Cc1[nH+]cn([C@H](c2ccc(F)cc2)[C@@H](C)[NH3+])c1C ZINC000051925576 180288770 /nfs/dbraw/zinc/28/87/70/180288770.db2.gz USIVZBSKHXVUDQ-OTYXRUKQSA-N 2 1 247.317 2.576 10 0 BFAEMP CCC[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000084424679 350752111 /nfs/dbraw/zinc/75/21/11/350752111.db2.gz IEFJLFNDOUFGPK-OAHLLOKOSA-N 2 1 232.371 2.780 10 0 BFAEMP CCC[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000084424679 350752116 /nfs/dbraw/zinc/75/21/16/350752116.db2.gz IEFJLFNDOUFGPK-OAHLLOKOSA-N 2 1 232.371 2.780 10 0 BFAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(C2CCCC2)c1 ZINC000725268129 538099594 /nfs/dbraw/zinc/09/95/94/538099594.db2.gz AFEXZBHBQXQGNQ-JKSUJKDBSA-N 2 1 244.382 2.748 10 0 BFAEMP CNc1ccccc1[C@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616624864 351092656 /nfs/dbraw/zinc/09/26/56/351092656.db2.gz SGAWJCLLSFUEFG-OAHLLOKOSA-N 2 1 247.386 2.604 10 0 BFAEMP CNc1ccccc1[C@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616624864 351092657 /nfs/dbraw/zinc/09/26/57/351092657.db2.gz SGAWJCLLSFUEFG-OAHLLOKOSA-N 2 1 247.386 2.604 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000307158312 351509733 /nfs/dbraw/zinc/50/97/33/351509733.db2.gz APCZMORMBBMDBL-HRCADAONSA-N 2 1 244.382 2.507 10 0 BFAEMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396730381 323656140 /nfs/dbraw/zinc/65/61/40/323656140.db2.gz YCQXYBMAHCQITF-DGAVXFQQSA-N 2 1 224.392 2.685 10 0 BFAEMP CC(C)C[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915933 188289267 /nfs/dbraw/zinc/28/92/67/188289267.db2.gz SEQQFKCUPUFSNM-KKUMJFAQSA-N 2 1 238.419 2.885 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC000049712988 188298488 /nfs/dbraw/zinc/29/84/88/188298488.db2.gz HYBJURDGAQTGIR-DZGCQCFKSA-N 2 1 232.371 2.567 10 0 BFAEMP C[NH2+][C@@H]1CC[N@H+](C2CCC(C)CC2)[C@@H](C)C1 ZINC000049709760 188298784 /nfs/dbraw/zinc/29/87/84/188298784.db2.gz KRCOJYVIDSVDDA-YIFLHPOLSA-N 2 1 224.392 2.637 10 0 BFAEMP CC(C)=CC[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000052208373 188299615 /nfs/dbraw/zinc/29/96/15/188299615.db2.gz JVMASQINTRAVGS-UHFFFAOYSA-N 2 1 222.376 2.559 10 0 BFAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CC3)C2)[nH+]1 ZINC000156475291 188333656 /nfs/dbraw/zinc/33/36/56/188333656.db2.gz KTUKKAZZVSRYMM-AWEZNQCLSA-N 2 1 245.370 2.534 10 0 BFAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000156475291 188333658 /nfs/dbraw/zinc/33/36/58/188333658.db2.gz KTUKKAZZVSRYMM-AWEZNQCLSA-N 2 1 245.370 2.534 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000073654117 188368446 /nfs/dbraw/zinc/36/84/46/188368446.db2.gz GMBFJAQVPZEBLM-CHWSQXEVSA-N 2 1 226.408 2.885 10 0 BFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CC2(C1)CC[NH2+]CC2 ZINC000675069275 538498162 /nfs/dbraw/zinc/49/81/62/538498162.db2.gz DVIPKKBDSCCIGT-QWHCGFSZSA-N 2 1 236.403 2.639 10 0 BFAEMP CC(C)[NH2+]CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000191511923 357783050 /nfs/dbraw/zinc/78/30/50/357783050.db2.gz INGYSXVNJRCNIB-UHFFFAOYSA-N 2 1 224.392 2.641 10 0 BFAEMP CC(C)[NH2+]CC[N@H+]1CCC2(C1)CCCCC2 ZINC000191511923 357783053 /nfs/dbraw/zinc/78/30/53/357783053.db2.gz INGYSXVNJRCNIB-UHFFFAOYSA-N 2 1 224.392 2.641 10 0 BFAEMP Cc1c[nH+]ccc1N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000192680083 357847054 /nfs/dbraw/zinc/84/70/54/357847054.db2.gz AJWRORDXUWZQCE-GXTWGEPZSA-N 2 1 233.359 2.531 10 0 BFAEMP CC[C@H]1CC[C@@H](CC[NH+]2CCCC2)[N@@H+](C)C1 ZINC000584652208 358307083 /nfs/dbraw/zinc/30/70/83/358307083.db2.gz QQUFBQNUZZCFGO-KBPBESRZSA-N 2 1 224.392 2.593 10 0 BFAEMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]21 ZINC000248178698 359258161 /nfs/dbraw/zinc/25/81/61/359258161.db2.gz WBCFNLZEPUZFPB-JKSUJKDBSA-N 2 1 244.382 2.603 10 0 BFAEMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000248178698 359258166 /nfs/dbraw/zinc/25/81/66/359258166.db2.gz WBCFNLZEPUZFPB-JKSUJKDBSA-N 2 1 244.382 2.603 10 0 BFAEMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000248178698 359258170 /nfs/dbraw/zinc/25/81/70/359258170.db2.gz WBCFNLZEPUZFPB-JKSUJKDBSA-N 2 1 244.382 2.603 10 0 BFAEMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]21 ZINC000248178696 359258221 /nfs/dbraw/zinc/25/82/21/359258221.db2.gz WBCFNLZEPUZFPB-HZPDHXFCSA-N 2 1 244.382 2.603 10 0 BFAEMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000248178696 359258227 /nfs/dbraw/zinc/25/82/27/359258227.db2.gz WBCFNLZEPUZFPB-HZPDHXFCSA-N 2 1 244.382 2.603 10 0 BFAEMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000248178696 359258235 /nfs/dbraw/zinc/25/82/35/359258235.db2.gz WBCFNLZEPUZFPB-HZPDHXFCSA-N 2 1 244.382 2.603 10 0 BFAEMP CC(C)(C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564170 360256822 /nfs/dbraw/zinc/25/68/22/360256822.db2.gz BNOXOMPUBDSIEG-CQSZACIVSA-N 2 1 238.419 2.983 10 0 BFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2ccccc21 ZINC000040749085 181344333 /nfs/dbraw/zinc/34/43/33/181344333.db2.gz XGAPODSQPJDDHI-NQKGRLOXSA-N 2 1 242.366 2.628 10 0 BFAEMP C[C@@H]1C[N@H+]([C@@H]2C[C@H](C)CC[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000379767650 363895856 /nfs/dbraw/zinc/89/58/56/363895856.db2.gz LHVQTKVYIQZZAG-XLWJZTARSA-N 2 1 238.419 2.728 10 0 BFAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CCCc1ccccc1 ZINC000104319667 181385625 /nfs/dbraw/zinc/38/56/25/181385625.db2.gz ILTVDYYBACBMMM-INIZCTEOSA-N 2 1 246.398 2.823 10 0 BFAEMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000381378465 367391944 /nfs/dbraw/zinc/39/19/44/367391944.db2.gz KMDZLGGDXYVZCX-STQMWFEESA-N 2 1 226.408 2.743 10 0 BFAEMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000381542114 367427649 /nfs/dbraw/zinc/42/76/49/367427649.db2.gz IKJNXKXOJYKKDC-OLZOCXBDSA-N 2 1 226.408 2.741 10 0 BFAEMP C[N@H+](Cc1ccccc1)[C@](C)(C[NH3+])CC1CC1 ZINC000229705297 372184786 /nfs/dbraw/zinc/18/47/86/372184786.db2.gz BGYXCLGGHQTEBA-HNNXBMFYSA-N 2 1 232.371 2.636 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@](C)(C[NH3+])CC1CC1 ZINC000229705297 372184792 /nfs/dbraw/zinc/18/47/92/372184792.db2.gz BGYXCLGGHQTEBA-HNNXBMFYSA-N 2 1 232.371 2.636 10 0 BFAEMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841730 372638317 /nfs/dbraw/zinc/63/83/17/372638317.db2.gz OZCRFCQTTIBOSD-INWMFGNUSA-N 2 1 244.382 2.591 10 0 BFAEMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841731 372638500 /nfs/dbraw/zinc/63/85/00/372638500.db2.gz OZCRFCQTTIBOSD-IVMMDQJWSA-N 2 1 244.382 2.591 10 0 BFAEMP CCC[N@@H+](C)C[C@H](C)[C@H]([NH2+]C)c1ccccc1 ZINC000053939299 169078635 /nfs/dbraw/zinc/07/86/35/169078635.db2.gz MPLCBLKKUGIEIY-ZFWWWQNUSA-N 2 1 234.387 2.925 10 0 BFAEMP CCC[N@@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052444602 169080830 /nfs/dbraw/zinc/08/08/30/169080830.db2.gz LJHFKWPTDCOAOM-UHFFFAOYSA-N 2 1 232.371 2.780 10 0 BFAEMP CCC[N@H+](CC)[C@@H](c1ccc(F)cc1)[C@@H](C)N ZINC000042913694 169131904 /nfs/dbraw/zinc/13/19/04/169131904.db2.gz IVGAPCGDRYVEQG-BXUZGUMPSA-N 2 1 238.350 2.946 10 0 BFAEMP CCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417573 169261108 /nfs/dbraw/zinc/26/11/08/169261108.db2.gz WHFFCDMQVDSWRV-AWEZNQCLSA-N 2 1 234.387 2.897 10 0 BFAEMP CCC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000053012506 169264430 /nfs/dbraw/zinc/26/44/30/169264430.db2.gz XZKHUBRRZKDNTC-MRXNPFEDSA-N 2 1 246.398 2.551 10 0 BFAEMP CCC[NH2+]C[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000053031007 169264561 /nfs/dbraw/zinc/26/45/61/169264561.db2.gz QAGPVXIDNXDQHT-OAHLLOKOSA-N 2 1 238.419 2.888 10 0 BFAEMP c1ccc(C[N@@H+]2CCCCC[C@]23CC[NH2+]C3)cc1 ZINC000096879556 183396885 /nfs/dbraw/zinc/39/68/85/183396885.db2.gz XWLRTSCARJSTPT-MRXNPFEDSA-N 2 1 244.382 2.795 10 0 BFAEMP c1ccc(C[N@H+]2CCCCC[C@]23CC[NH2+]C3)cc1 ZINC000096879556 183396887 /nfs/dbraw/zinc/39/68/87/183396887.db2.gz XWLRTSCARJSTPT-MRXNPFEDSA-N 2 1 244.382 2.795 10 0 BFAEMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)CC2)cc1 ZINC000096895221 183398314 /nfs/dbraw/zinc/39/83/14/183398314.db2.gz UUTZVMXCEQSCSH-INIZCTEOSA-N 2 1 244.382 2.652 10 0 BFAEMP CCC[NH2+][C@@H]1CCC[C@H]1n1c[nH+]c(C)c1C ZINC000051926739 169282004 /nfs/dbraw/zinc/28/20/04/169282004.db2.gz YGKLZROAAMQCFA-CHWSQXEVSA-N 2 1 221.348 2.593 10 0 BFAEMP CCC[NH2+][C@H]1CCC[C@H]1n1c[nH+]c(C)c1C ZINC000051926740 169292067 /nfs/dbraw/zinc/29/20/67/169292067.db2.gz YGKLZROAAMQCFA-QWHCGFSZSA-N 2 1 221.348 2.593 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000227375698 134379106 /nfs/dbraw/zinc/37/91/06/134379106.db2.gz KFTHNWHLLWPSCF-RFQIPJPRSA-N 2 1 224.392 2.637 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000227375698 134379107 /nfs/dbraw/zinc/37/91/07/134379107.db2.gz KFTHNWHLLWPSCF-RFQIPJPRSA-N 2 1 224.392 2.637 10 0 BFAEMP CCCC(CCC)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309194553 385204707 /nfs/dbraw/zinc/20/47/07/385204707.db2.gz KUAOAOGWVMWNRI-TZMCWYRMSA-N 2 1 226.408 2.872 10 0 BFAEMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396600269 386785805 /nfs/dbraw/zinc/78/58/05/386785805.db2.gz ANXJVLGRWGYFFA-SQWLQELKSA-N 2 1 246.398 2.656 10 0 BFAEMP C1=C[C@@H]([NH+]2CCC([NH+]3CCCC3)CC2)CCC1 ZINC000066533615 387087145 /nfs/dbraw/zinc/08/71/45/387087145.db2.gz UFRDQJCUUKRRMP-CQSZACIVSA-N 2 1 234.387 2.655 10 0 BFAEMP CC(C)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876425 387524593 /nfs/dbraw/zinc/52/45/93/387524593.db2.gz JMPTZHIYJPUXNA-UHFFFAOYSA-N 2 1 249.402 2.721 10 0 BFAEMP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCCC1 ZINC000396715929 387488954 /nfs/dbraw/zinc/48/89/54/387488954.db2.gz OHCQAZMRMGSULA-UBHSHLNASA-N 2 1 224.392 2.685 10 0 BFAEMP CCCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000117880477 387549249 /nfs/dbraw/zinc/54/92/49/387549249.db2.gz LMVCAZUJVOVOMY-UHFFFAOYSA-N 2 1 249.402 2.865 10 0 BFAEMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000422962689 387814267 /nfs/dbraw/zinc/81/42/67/387814267.db2.gz GKLMBYVCHVBVMR-FKJOKYEKSA-N 2 1 234.343 2.522 10 0 BFAEMP c1ccc2c(c1)cc[nH+]c2NC[C@@H]1CCC[NH2+]C1 ZINC000168717375 387904381 /nfs/dbraw/zinc/90/43/81/387904381.db2.gz NUNPFORLGNANKU-GFCCVEGCSA-N 2 1 241.338 2.646 10 0 BFAEMP C[C@@H](CCC[NH3+])Nc1[nH+]ccc2ccccc21 ZINC000168815545 387916903 /nfs/dbraw/zinc/91/69/03/387916903.db2.gz IXFFZQAEAPDNFJ-NSHDSACASA-N 2 1 229.327 2.774 10 0 BFAEMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000396665891 387941301 /nfs/dbraw/zinc/94/13/01/387941301.db2.gz AHYRBDOJRMGHRY-BXUZGUMPSA-N 2 1 236.403 2.685 10 0 BFAEMP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)o1 ZINC000423215167 387997162 /nfs/dbraw/zinc/99/71/62/387997162.db2.gz NOYMLACMVJDYJZ-RAQOOLMWSA-N 2 1 248.370 2.830 10 0 BFAEMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575519179 388356367 /nfs/dbraw/zinc/35/63/67/388356367.db2.gz DHYPIPXNBQPDQY-NFAWXSAZSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575519179 388356371 /nfs/dbraw/zinc/35/63/71/388356371.db2.gz DHYPIPXNBQPDQY-NFAWXSAZSA-N 2 1 232.371 2.634 10 0 BFAEMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000311162361 388493313 /nfs/dbraw/zinc/49/33/13/388493313.db2.gz PWBJYLMFUSEHPD-IJEWVQPXSA-N 2 1 246.398 2.973 10 0 BFAEMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000223231357 134337882 /nfs/dbraw/zinc/33/78/82/134337882.db2.gz IEBZBMOEQYMOII-ZIAGYGMSSA-N 2 1 226.408 2.887 10 0 BFAEMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000223231357 134337883 /nfs/dbraw/zinc/33/78/83/134337883.db2.gz IEBZBMOEQYMOII-ZIAGYGMSSA-N 2 1 226.408 2.887 10 0 BFAEMP Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000258664633 135102349 /nfs/dbraw/zinc/10/23/49/135102349.db2.gz DZOPCOFKOSRINW-AWEZNQCLSA-N 2 1 232.371 2.554 10 0 BFAEMP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538105 135175725 /nfs/dbraw/zinc/17/57/25/135175725.db2.gz CGQBZCNRZOXNEK-NEPJUHHUSA-N 2 1 246.345 2.625 10 0 BFAEMP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538105 135175727 /nfs/dbraw/zinc/17/57/27/135175727.db2.gz CGQBZCNRZOXNEK-NEPJUHHUSA-N 2 1 246.345 2.625 10 0 BFAEMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261565822 135207755 /nfs/dbraw/zinc/20/77/55/135207755.db2.gz YNXAVCFUGSLAQL-MGPQQGTHSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261565824 135207831 /nfs/dbraw/zinc/20/78/31/135207831.db2.gz YNXAVCFUGSLAQL-RDBSUJKOSA-N 2 1 238.419 2.872 10 0 BFAEMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261589298 135230440 /nfs/dbraw/zinc/23/04/40/135230440.db2.gz WGMRZXIJZAVVGZ-HNNXBMFYSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1cccc(C)c1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261590067 135231000 /nfs/dbraw/zinc/23/10/00/135231000.db2.gz WSFVWVBPUDRQMZ-HNNXBMFYSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1cc(C)cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261593230 135233494 /nfs/dbraw/zinc/23/34/94/135233494.db2.gz ZBBIWOJLTICHGV-HNNXBMFYSA-N 2 1 246.398 2.863 10 0 BFAEMP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000052478934 167004622 /nfs/dbraw/zinc/00/46/22/167004622.db2.gz VOVYLYQDFRXOOW-AWEZNQCLSA-N 2 1 249.402 2.538 10 0 BFAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000052478934 167004625 /nfs/dbraw/zinc/00/46/25/167004625.db2.gz VOVYLYQDFRXOOW-AWEZNQCLSA-N 2 1 249.402 2.538 10 0 BFAEMP CC(C)[NH2+]CCC[N@H+](C)Cc1cccc(F)c1 ZINC000037618948 167102897 /nfs/dbraw/zinc/10/28/97/167102897.db2.gz JVXKAQZKVUWIMH-UHFFFAOYSA-N 2 1 238.350 2.646 10 0 BFAEMP CC(C)[NH2+]CCC[N@@H+](C)Cc1cccc(F)c1 ZINC000037618948 167102900 /nfs/dbraw/zinc/10/29/00/167102900.db2.gz JVXKAQZKVUWIMH-UHFFFAOYSA-N 2 1 238.350 2.646 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000053648922 167112857 /nfs/dbraw/zinc/11/28/57/167112857.db2.gz RITJQXMVHAGMDM-INIZCTEOSA-N 2 1 246.398 2.692 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000053648922 167112855 /nfs/dbraw/zinc/11/28/55/167112855.db2.gz RITJQXMVHAGMDM-INIZCTEOSA-N 2 1 246.398 2.692 10 0 BFAEMP CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000036786641 167369250 /nfs/dbraw/zinc/36/92/50/167369250.db2.gz BVJMXVLBLGWGKE-LLVKDONJSA-N 2 1 238.350 2.761 10 0 BFAEMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC2)CC(C)(C)C1 ZINC000655755143 411186164 /nfs/dbraw/zinc/18/61/64/411186164.db2.gz QSMSLWOCLSDNCK-ZIAGYGMSSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC2)CC(C)(C)C1 ZINC000655755142 411186301 /nfs/dbraw/zinc/18/63/01/411186301.db2.gz QSMSLWOCLSDNCK-UONOGXRCSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)C1 ZINC000396728433 411240521 /nfs/dbraw/zinc/24/05/21/411240521.db2.gz XHYXVCFXNNETPD-MEBFFEOJSA-N 2 1 224.392 2.541 10 0 BFAEMP CC1CCC([N@H+]2CCC[NH2+][C@H](C)CC2)CC1 ZINC000049665428 168159553 /nfs/dbraw/zinc/15/95/53/168159553.db2.gz WAMPAMMDIIWPJJ-ROKHWSDSSA-N 2 1 224.392 2.639 10 0 BFAEMP C[NH2+]Cc1ccccc1CNc1cc(C)cc[nH+]1 ZINC000404628927 411402109 /nfs/dbraw/zinc/40/21/09/411402109.db2.gz DZNDRRJDQYFBIQ-UHFFFAOYSA-N 2 1 241.338 2.722 10 0 BFAEMP CC[NH2+]CC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095091530 170117082 /nfs/dbraw/zinc/11/70/82/170117082.db2.gz BGEZLGMKZBPRSL-HNNXBMFYSA-N 2 1 232.371 2.508 10 0 BFAEMP CC[NH2+]CC[C@H](C)[N@@H+](CC)Cc1ccccc1 ZINC000052443831 170117127 /nfs/dbraw/zinc/11/71/27/170117127.db2.gz FYXBIKDXMRGDPO-AWEZNQCLSA-N 2 1 234.387 2.897 10 0 BFAEMP CC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424772 170117629 /nfs/dbraw/zinc/11/76/29/170117629.db2.gz YPFPSLUQEUEKGV-AWEZNQCLSA-N 2 1 234.387 2.815 10 0 BFAEMP CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000053654083 170122936 /nfs/dbraw/zinc/12/29/36/170122936.db2.gz JUCRUSFSIGGCTD-OAHLLOKOSA-N 2 1 246.398 2.817 10 0 BFAEMP CC[NH2+]Cc1ccccc1C[N@@H+](CC)C1CC1 ZINC000052452273 170128392 /nfs/dbraw/zinc/12/83/92/170128392.db2.gz RJNRTJVJWCFLTD-UHFFFAOYSA-N 2 1 232.371 2.780 10 0 BFAEMP CC[NH2+]Cc1oc(C[N@@H+](C)[C@H](C)CC)cc1C ZINC000052444344 170131989 /nfs/dbraw/zinc/13/19/89/170131989.db2.gz AXDLLOHVXUIJIZ-GFCCVEGCSA-N 2 1 238.375 2.928 10 0 BFAEMP CC[NH2+]Cc1occc1C[N@@H+](CC)CC(C)C ZINC000052449651 170132931 /nfs/dbraw/zinc/13/29/31/170132931.db2.gz ZUUOFIOVEKCAAV-UHFFFAOYSA-N 2 1 238.375 2.867 10 0 BFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1n1cc[nH+]c1C ZINC000043994169 170150734 /nfs/dbraw/zinc/15/07/34/170150734.db2.gz BPWXTEZRSQFTKU-CHWSQXEVSA-N 2 1 221.348 2.675 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1C ZINC000049713037 170151251 /nfs/dbraw/zinc/15/12/51/170151251.db2.gz BMYWZCWOHXONCX-DZGCQCFKSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000034663933 170159014 /nfs/dbraw/zinc/15/90/14/170159014.db2.gz VTVUEFHHKQGKHU-SNVBAGLBSA-N 2 1 247.317 2.990 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2C)C[C@@H]1C ZINC000049712980 170168138 /nfs/dbraw/zinc/16/81/38/170168138.db2.gz GRDPACIOCJFHJL-HOCLYGCPSA-N 2 1 246.398 2.815 10 0 BFAEMP CC[C@@H]1CC[N@H+](C(C)(C)CC)CCC[NH2+]1 ZINC000049664976 171010048 /nfs/dbraw/zinc/01/00/48/171010048.db2.gz GNFQJSCRROUCCL-GFCCVEGCSA-N 2 1 212.381 2.639 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CCCc2ccccc2)CC[NH2+]1 ZINC000049662209 171011903 /nfs/dbraw/zinc/01/19/03/171011903.db2.gz WFLOWVKTILMXBD-MRXNPFEDSA-N 2 1 246.398 2.693 10 0 BFAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC000061484556 171040386 /nfs/dbraw/zinc/04/03/86/171040386.db2.gz PKYQSFBRIZGQBO-VHDGCEQUSA-N 2 1 238.419 2.872 10 0 BFAEMP CC[C@@]1(C[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000062910822 171210451 /nfs/dbraw/zinc/21/04/51/171210451.db2.gz GCHBKVJYIOUYDT-OAHLLOKOSA-N 2 1 232.371 2.508 10 0 BFAEMP CC[C@H](C(C)C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915878 171242721 /nfs/dbraw/zinc/24/27/21/171242721.db2.gz RLWCQNPAHBDAQK-SOUVJXGZSA-N 2 1 238.419 2.885 10 0 BFAEMP CC(C)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294707 412082638 /nfs/dbraw/zinc/08/26/38/412082638.db2.gz SDSXEFMNPDKVIE-DZGCQCFKSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](CCOC)[C@@H](C)CC ZINC000053497287 171315309 /nfs/dbraw/zinc/31/53/09/171315309.db2.gz ZDUQUYUMZSDQFG-HZSPNIEDSA-N 2 1 244.423 2.510 10 0 BFAEMP CC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](CCOC)[C@@H](C)CC ZINC000053497287 171315312 /nfs/dbraw/zinc/31/53/12/171315312.db2.gz ZDUQUYUMZSDQFG-HZSPNIEDSA-N 2 1 244.423 2.510 10 0 BFAEMP CC[C@H](C)[NH2+]C[C@@H](C)[N@H+](CCOC)[C@@H](C)CC ZINC000053497288 171340823 /nfs/dbraw/zinc/34/08/23/171340823.db2.gz ZDUQUYUMZSDQFG-MELADBBJSA-N 2 1 244.423 2.510 10 0 BFAEMP CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](CCOC)[C@@H](C)CC ZINC000053497288 171340824 /nfs/dbraw/zinc/34/08/24/171340824.db2.gz ZDUQUYUMZSDQFG-MELADBBJSA-N 2 1 244.423 2.510 10 0 BFAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+](CC)Cc1ccccc1 ZINC000039185308 171396186 /nfs/dbraw/zinc/39/61/86/171396186.db2.gz YVNUMNOIPTYFKG-DZGCQCFKSA-N 2 1 234.387 2.882 10 0 BFAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+](CC)Cc1ccccc1 ZINC000039185308 171396188 /nfs/dbraw/zinc/39/61/88/171396188.db2.gz YVNUMNOIPTYFKG-DZGCQCFKSA-N 2 1 234.387 2.882 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1cccs1)[C@H]([NH3+])CC ZINC000043107489 172028895 /nfs/dbraw/zinc/02/88/95/172028895.db2.gz CHUVXPBOSSAIKC-MFKMUULPSA-N 2 1 249.383 2.834 10 0 BFAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000043016943 172029634 /nfs/dbraw/zinc/02/96/34/172029634.db2.gz HJYLKRRMOKLFDD-GFCCVEGCSA-N 2 1 249.745 2.647 10 0 BFAEMP CCc1[nH+]ccn1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042419624 172030045 /nfs/dbraw/zinc/03/00/45/172030045.db2.gz LENVRRVYZKFNMH-VXGBXAGGSA-N 2 1 221.348 2.526 10 0 BFAEMP C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000051286152 173336512 /nfs/dbraw/zinc/33/65/12/173336512.db2.gz RSVWHNITSMACFL-UHFFFAOYSA-N 2 1 238.350 2.503 10 0 BFAEMP C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000051286152 173336513 /nfs/dbraw/zinc/33/65/13/173336513.db2.gz RSVWHNITSMACFL-UHFFFAOYSA-N 2 1 238.350 2.503 10 0 BFAEMP C[NH2+]CC1(C[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000051208786 173337527 /nfs/dbraw/zinc/33/75/27/173337527.db2.gz HPJLEFFIOZNVSL-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC000051205711 173337691 /nfs/dbraw/zinc/33/76/91/173337691.db2.gz FYYXVEBYUNMCQD-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP C[NH2+]C[C@@H](C)[NH+]1CCC2(CCCCC2)CC1 ZINC000061822936 173364768 /nfs/dbraw/zinc/36/47/68/173364768.db2.gz HAHNTDFCAZLRBB-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000052379066 173390800 /nfs/dbraw/zinc/39/08/00/173390800.db2.gz GVIXPXSGVPIDGL-ZDUSSCGKSA-N 2 1 232.371 2.780 10 0 BFAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)[C@H](C)CC(C)C ZINC000052571830 173391449 /nfs/dbraw/zinc/39/14/49/173391449.db2.gz OQNUOCZCKZEQKV-GFCCVEGCSA-N 2 1 238.375 2.865 10 0 BFAEMP C[NH2+]Cc1coc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000052373394 173392835 /nfs/dbraw/zinc/39/28/35/173392835.db2.gz IJCASFJPIXDDGG-VXGBXAGGSA-N 2 1 236.359 2.619 10 0 BFAEMP C[NH2+]Cc1coc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000052373395 173393291 /nfs/dbraw/zinc/39/32/91/173393291.db2.gz IJCASFJPIXDDGG-NWDGAFQWSA-N 2 1 236.359 2.619 10 0 BFAEMP C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C[N@H+]1CCCC1(C)C ZINC000063073222 173438559 /nfs/dbraw/zinc/43/85/59/173438559.db2.gz VLQWVANFVAZRNK-HZSPNIEDSA-N 2 1 238.419 2.885 10 0 BFAEMP C[NH2+][C@H]1CCCCCC[C@H]1n1cc[nH+]c1C ZINC000043994390 173459652 /nfs/dbraw/zinc/45/96/52/173459652.db2.gz QZRWBNHXPUPVPE-QWHCGFSZSA-N 2 1 221.348 2.675 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071249712 176074192 /nfs/dbraw/zinc/07/41/92/176074192.db2.gz BUGAYSCQMNAACJ-LLVKDONJSA-N 2 1 236.334 2.659 10 0 BFAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)[C@@H]1C ZINC000050565056 176099805 /nfs/dbraw/zinc/09/98/05/176099805.db2.gz IMURLLRMJDYPHZ-VXGBXAGGSA-N 2 1 245.370 2.591 10 0 BFAEMP C[C@@H]1C[N@H+](C(C)(C)CC(C)(C)C)CC[C@@H]1[NH3+] ZINC000043435724 176265894 /nfs/dbraw/zinc/26/58/94/176265894.db2.gz ADGOZHBCRBUDEY-NEPJUHHUSA-N 2 1 226.408 2.870 10 0 BFAEMP C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539653 177038932 /nfs/dbraw/zinc/03/89/32/177038932.db2.gz OKUQYXWTNFCHKW-TZMCWYRMSA-N 2 1 218.344 2.561 10 0 BFAEMP C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539653 177038933 /nfs/dbraw/zinc/03/89/33/177038933.db2.gz OKUQYXWTNFCHKW-TZMCWYRMSA-N 2 1 218.344 2.561 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000053861446 177077557 /nfs/dbraw/zinc/07/75/57/177077557.db2.gz MMNJNWUUQLPXFZ-RFGFWPKPSA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@H]1CCCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000021953171 177077937 /nfs/dbraw/zinc/07/79/37/177077937.db2.gz NLRHNZPDJJMPKY-LBPRGKRZSA-N 2 1 218.344 2.520 10 0 BFAEMP C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000071249785 177101275 /nfs/dbraw/zinc/10/12/75/177101275.db2.gz IPMLGEPMODIPTO-NSHDSACASA-N 2 1 236.334 2.516 10 0 BFAEMP C[C@H](C[N@H+]1CCC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000053936879 177109556 /nfs/dbraw/zinc/10/95/56/177109556.db2.gz BCNNCZGLUGGQQZ-IPYPFGDCSA-N 2 1 232.371 2.807 10 0 BFAEMP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C(C)(C)C ZINC000042302500 177131076 /nfs/dbraw/zinc/13/10/76/177131076.db2.gz KURLVOYIDRWHSV-RYUDHWBXSA-N 2 1 212.381 2.637 10 0 BFAEMP C[C@H]1CCC[C@H]([N@@H+](C)C2(CN)CCCC2)C1 ZINC000042492444 177134280 /nfs/dbraw/zinc/13/42/80/177134280.db2.gz DTXROVOXKHXSII-STQMWFEESA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000037408407 177136848 /nfs/dbraw/zinc/13/68/48/177136848.db2.gz MAEUICXLNWNDNE-IHRRRGAJSA-N 2 1 236.403 2.639 10 0 BFAEMP C[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)CC[C@H](C)[NH2+]1 ZINC000049668076 177157693 /nfs/dbraw/zinc/15/76/93/177157693.db2.gz VRCDSKMPWBGALP-TXEJJXNPSA-N 2 1 236.403 2.637 10 0 BFAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000051746744 177160352 /nfs/dbraw/zinc/16/03/52/177160352.db2.gz NPXWJLZERWMAEW-UONOGXRCSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000034781420 177204249 /nfs/dbraw/zinc/20/42/49/177204249.db2.gz LTPYDUURZCTDIC-VBNZEHGJSA-N 2 1 244.382 2.561 10 0 BFAEMP C[C@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000034781420 177204251 /nfs/dbraw/zinc/20/42/51/177204251.db2.gz LTPYDUURZCTDIC-VBNZEHGJSA-N 2 1 244.382 2.561 10 0 BFAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCCCCC1 ZINC000049710533 177326483 /nfs/dbraw/zinc/32/64/83/177326483.db2.gz FJLRFTXDJJRATC-RYUDHWBXSA-N 2 1 210.365 2.521 10 0 BFAEMP CCC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCC1 ZINC000396709977 487531934 /nfs/dbraw/zinc/53/19/34/487531934.db2.gz LQEXVBUBPXRTOI-XBFCOCLRSA-N 2 1 224.392 2.685 10 0 BFAEMP CCCCC[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757127756 582503404 /nfs/dbraw/zinc/50/34/04/582503404.db2.gz HVQYEKMDVJKYES-KGLIPLIRSA-N 2 1 224.392 2.783 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C(C)C)C[C@H]1C ZINC000252475372 520596728 /nfs/dbraw/zinc/59/67/28/520596728.db2.gz ZDXRLQUXCNOFTA-CHWSQXEVSA-N 2 1 212.381 2.637 10 0 BFAEMP CCCC[N@H+]1CC[C@H]([NH2+]CCC)C[C@H]1C ZINC000249884471 520597351 /nfs/dbraw/zinc/59/73/51/520597351.db2.gz PGZZLYMYRMVGRO-OLZOCXBDSA-N 2 1 212.381 2.639 10 0 BFAEMP CC(C)C[N@H+]1C[C@@H]2CCC[C@H](C[NH+](C)C)[C@H]2C1 ZINC000503720871 528026832 /nfs/dbraw/zinc/02/68/32/528026832.db2.gz WKDTVTPLLXPBOO-QLFBSQMISA-N 2 1 238.419 2.552 10 0 BFAEMP CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000675052515 583301651 /nfs/dbraw/zinc/30/16/51/583301651.db2.gz ATTVRBYWIDUCRN-OLZOCXBDSA-N 2 1 238.762 2.824 10 0 BFAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000675052515 583301652 /nfs/dbraw/zinc/30/16/52/583301652.db2.gz ATTVRBYWIDUCRN-OLZOCXBDSA-N 2 1 238.762 2.824 10 0 BFAEMP CCC[N@H+]1CCC[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757572985 586382433 /nfs/dbraw/zinc/38/24/33/586382433.db2.gz WBWKZESDPUCSON-HNNXBMFYSA-N 2 1 232.371 2.735 10 0 BFAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757208120 586437985 /nfs/dbraw/zinc/43/79/85/586437985.db2.gz CFTFRUVPICSANY-BYCMXARLSA-N 2 1 244.382 2.736 10 0 BFAEMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(C)o2)CC1 ZINC000714759637 712497588 /nfs/dbraw/zinc/49/75/88/712497588.db2.gz VXGVUABIWQVQBK-LBPRGKRZSA-N 2 1 236.359 2.852 10 0 BFAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685953572 538897706 /nfs/dbraw/zinc/89/77/06/538897706.db2.gz IPDQFBPYUUAKGD-GFCCVEGCSA-N 2 1 224.392 2.767 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCC(CC)CC2 ZINC000685953990 538898880 /nfs/dbraw/zinc/89/88/80/538898880.db2.gz KEIKQAYBQUKYIC-MOKVOYLWSA-N 2 1 224.392 2.768 10 0 BFAEMP CCC(CC)(C[NH3+])C[N@H+](C)Cc1ccc(C)o1 ZINC000051216408 168322237 /nfs/dbraw/zinc/32/22/37/168322237.db2.gz SPALJCNHNARDJO-UHFFFAOYSA-N 2 1 238.375 2.785 10 0 BFAEMP CCC(CC)(C[NH3+])C[N@@H+](C)Cc1ccc(C)o1 ZINC000051216408 168322242 /nfs/dbraw/zinc/32/22/42/168322242.db2.gz SPALJCNHNARDJO-UHFFFAOYSA-N 2 1 238.375 2.785 10 0 BFAEMP Cn1cc[nH+]c1CC1CC[NH+](CC(C)(C)C)CC1 ZINC000121805763 187223682 /nfs/dbraw/zinc/22/36/82/187223682.db2.gz WFAYHJGKJFTUCO-UHFFFAOYSA-N 2 1 249.402 2.721 10 0 BFAEMP CC[C@H](CC[NH3+])[N@H+]1CCCc2ccccc2C1 ZINC000062944372 187274083 /nfs/dbraw/zinc/27/40/83/187274083.db2.gz YIJNMBSWSMHNIL-OAHLLOKOSA-N 2 1 232.371 2.562 10 0 BFAEMP CCCC1(C[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000062850537 187273499 /nfs/dbraw/zinc/27/34/99/187273499.db2.gz DQBUJOVAEJABSQ-CQSZACIVSA-N 2 1 238.419 2.888 10 0 BFAEMP CC[N@@H+](CCCCC[NH2+]C(C)C)[C@H](C)COC ZINC000052504974 169826509 /nfs/dbraw/zinc/82/65/09/169826509.db2.gz JYSSSLFJWQGXFW-CQSZACIVSA-N 2 1 244.423 2.512 10 0 BFAEMP CC[NH2+][C@@H](C)CC[N@@H+](CC)Cc1ccccc1 ZINC000061274975 344901515 /nfs/dbraw/zinc/90/15/15/344901515.db2.gz ODYKUHPBFATKCJ-AWEZNQCLSA-N 2 1 234.387 2.897 10 0 BFAEMP CC[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224401042 344915532 /nfs/dbraw/zinc/91/55/32/344915532.db2.gz DCKBAZAOUYNTDR-ZFWWWQNUSA-N 2 1 232.371 2.649 10 0 BFAEMP Cc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000053859844 179065308 /nfs/dbraw/zinc/06/53/08/179065308.db2.gz KEZCQOLMLFWKRB-HOTGVXAUSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1cccc(NCc2ccc(CC[NH3+])cc2)[nH+]1 ZINC000052899434 179149796 /nfs/dbraw/zinc/14/97/96/179149796.db2.gz CKJHAGJZVLYXHU-UHFFFAOYSA-N 2 1 241.338 2.503 10 0 BFAEMP C[N@H+](Cc1ccccc1)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000250243691 362797443 /nfs/dbraw/zinc/79/74/43/362797443.db2.gz SANRUCVRFWGRNN-HUUCEWRRSA-N 2 1 232.371 2.778 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000250243691 362797446 /nfs/dbraw/zinc/79/74/46/362797446.db2.gz SANRUCVRFWGRNN-HUUCEWRRSA-N 2 1 232.371 2.778 10 0 BFAEMP Cc1[nH+]cn([C@H](c2cccc(C)c2)[C@H](C)[NH3+])c1C ZINC000051925782 179203041 /nfs/dbraw/zinc/20/30/41/179203041.db2.gz GDDQMUXOKYQGIS-NHYWBVRUSA-N 2 1 243.354 2.745 10 0 BFAEMP Cc1ccccc1C[N@@H+](C)Cc1occc1C[NH3+] ZINC000052547077 179269773 /nfs/dbraw/zinc/26/97/73/179269773.db2.gz IIUXBROEHSCSFU-UHFFFAOYSA-N 2 1 244.338 2.679 10 0 BFAEMP Cc1ccccc1C[N@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053031413 179273210 /nfs/dbraw/zinc/27/32/10/179273210.db2.gz MYVSCNGSGFYMDF-AWEZNQCLSA-N 2 1 244.382 2.569 10 0 BFAEMP Cc1ccccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000042427388 179277208 /nfs/dbraw/zinc/27/72/08/179277208.db2.gz QUOVWIVIWQLLMZ-KBPBESRZSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC(C)C ZINC000043034510 179328210 /nfs/dbraw/zinc/32/82/10/179328210.db2.gz HRYOAXFPJKSTHN-UKRRQHHQSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)CC(C)C ZINC000043034510 179328212 /nfs/dbraw/zinc/32/82/12/179328212.db2.gz HRYOAXFPJKSTHN-UKRRQHHQSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104420613 179328317 /nfs/dbraw/zinc/32/83/17/179328317.db2.gz BJDRYJCNVGNFBM-KNCOVGOOSA-N 2 1 246.398 2.971 10 0 BFAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104420613 179328318 /nfs/dbraw/zinc/32/83/18/179328318.db2.gz BJDRYJCNVGNFBM-KNCOVGOOSA-N 2 1 246.398 2.971 10 0 BFAEMP Cc1ccccc1[C@H](C[NH3+])n1cc[nH+]c1C(C)C ZINC000043037847 179342124 /nfs/dbraw/zinc/34/21/24/179342124.db2.gz UZRFLACRORESMX-AWEZNQCLSA-N 2 1 243.354 2.863 10 0 BFAEMP C[C@]12CC[C@H](C[N@H+]1Cc1ccccc1)C[C@@H]([NH3+])C2 ZINC000616581746 349285047 /nfs/dbraw/zinc/28/50/47/349285047.db2.gz AXOOPVLMVCEXFF-ARFHVFGLSA-N 2 1 244.382 2.778 10 0 BFAEMP Cc1[nH+]cn([C@@H](C)C[NH2+]C2CCCC2)c1C ZINC000053535851 180288609 /nfs/dbraw/zinc/28/86/09/180288609.db2.gz OIFJFNOHLSTTHW-JTQLQIEISA-N 2 1 221.348 2.593 10 0 BFAEMP Cc1[nH+]cn([C@@H]2CCCCC[C@@H]2C[NH3+])c1C ZINC000051926067 180289852 /nfs/dbraw/zinc/28/98/52/180289852.db2.gz YYBOPPZWTKWTCC-CHWSQXEVSA-N 2 1 221.348 2.580 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000069797023 350402317 /nfs/dbraw/zinc/40/23/17/350402317.db2.gz NCMIJNPZDFPKGO-YPMHNXCESA-N 2 1 238.400 2.739 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000069797023 350402320 /nfs/dbraw/zinc/40/23/20/350402320.db2.gz NCMIJNPZDFPKGO-YPMHNXCESA-N 2 1 238.400 2.739 10 0 BFAEMP CC(C)([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000083332007 188270288 /nfs/dbraw/zinc/27/02/88/188270288.db2.gz VSUNLWHIVHLOIO-AWEZNQCLSA-N 2 1 232.371 2.778 10 0 BFAEMP Cc1ccc(C)c(C[N@@H+](CCC(N)=[NH2+])C2CC2)c1 ZINC000042548158 188293996 /nfs/dbraw/zinc/29/39/96/188293996.db2.gz PIVTZICKFNMVKA-UHFFFAOYSA-N 2 1 245.370 2.594 10 0 BFAEMP CC(C)[N@H+](Cc1ccccc1)C[C@H](C)CC[NH3+] ZINC000130602780 363437428 /nfs/dbraw/zinc/43/74/28/363437428.db2.gz OMITXZJZBHXENN-CQSZACIVSA-N 2 1 234.387 2.882 10 0 BFAEMP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000142152918 356467689 /nfs/dbraw/zinc/46/76/89/356467689.db2.gz CTHAKBRIQNCWOJ-CQSZACIVSA-N 2 1 232.371 2.507 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000142152918 356467692 /nfs/dbraw/zinc/46/76/92/356467692.db2.gz CTHAKBRIQNCWOJ-CQSZACIVSA-N 2 1 232.371 2.507 10 0 BFAEMP CCC(C)(C)CC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261608937 535350503 /nfs/dbraw/zinc/35/05/03/535350503.db2.gz BPOYKZWLESOYHI-LBPRGKRZSA-N 2 1 226.408 2.872 10 0 BFAEMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396626273 358450393 /nfs/dbraw/zinc/45/03/93/358450393.db2.gz ITNPJGFZEDAXCL-FMKPAKJESA-N 2 1 246.398 2.738 10 0 BFAEMP NCC[N@@H+](CCCC1CC1)Cc1ccccc1 ZINC000306598130 360518607 /nfs/dbraw/zinc/51/86/07/360518607.db2.gz PANUYBDDDWGTOF-UHFFFAOYSA-N 2 1 232.371 2.638 10 0 BFAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CC=CCC1 ZINC000054602653 181344901 /nfs/dbraw/zinc/34/49/01/181344901.db2.gz QIGZUWPZIFOQBT-AVOUXACISA-N 2 1 234.387 2.687 10 0 BFAEMP CC1CCC(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399004115 364692902 /nfs/dbraw/zinc/69/29/02/364692902.db2.gz VVRROPOTMAPNCY-HHTDUIENSA-N 2 1 224.392 2.543 10 0 BFAEMP CC(C)[C@@H](C)[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230004291 371632808 /nfs/dbraw/zinc/63/28/08/371632808.db2.gz NROWYBPWIHSGFJ-CQSZACIVSA-N 2 1 234.387 2.882 10 0 BFAEMP CCC[N@H+](C)CC[C@@H]([NH2+]C)c1cccc(F)c1 ZINC000053978551 169078412 /nfs/dbraw/zinc/07/84/12/169078412.db2.gz XJEWIBJVIGZUAM-CQSZACIVSA-N 2 1 238.350 2.818 10 0 BFAEMP CCC[N@@H+](C)CC[C@@H]([NH2+]C)c1cccc(F)c1 ZINC000053978551 169078414 /nfs/dbraw/zinc/07/84/14/169078414.db2.gz XJEWIBJVIGZUAM-CQSZACIVSA-N 2 1 238.350 2.818 10 0 BFAEMP CCC[N@@H+](CC1CC1)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000035452117 169137385 /nfs/dbraw/zinc/13/73/85/169137385.db2.gz WAKYUZDGGNXHKM-BPLDGKMQSA-N 2 1 238.419 2.872 10 0 BFAEMP CCC[N@@H+](Cc1ccc(C[NH3+])cc1F)C(C)C ZINC000037095666 169174370 /nfs/dbraw/zinc/17/43/70/169174370.db2.gz JQKFXFFPRDDEMF-UHFFFAOYSA-N 2 1 238.350 2.905 10 0 BFAEMP CCCN(CC[NH+](C)C)C(=[NH2+])C1CCCCC1 ZINC000062992722 169155698 /nfs/dbraw/zinc/15/56/98/169155698.db2.gz DPKJAESTBVKTIN-UHFFFAOYSA-N 2 1 239.407 2.818 10 0 BFAEMP CCC[N@@H+](CCC[NH3+])Cc1ccc(C)c(C)c1 ZINC000049668657 169155802 /nfs/dbraw/zinc/15/58/02/169155802.db2.gz CSVGQEGPTATMJE-UHFFFAOYSA-N 2 1 234.387 2.864 10 0 BFAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000053031006 169262072 /nfs/dbraw/zinc/26/20/72/169262072.db2.gz QAGPVXIDNXDQHT-HNNXBMFYSA-N 2 1 238.419 2.888 10 0 BFAEMP CCC[NH2+]Cc1coc(C[N@@H+](C)CC(C)C)c1 ZINC000052452722 169268968 /nfs/dbraw/zinc/26/89/68/169268968.db2.gz LRTRWUHOCFGLDV-UHFFFAOYSA-N 2 1 238.375 2.867 10 0 BFAEMP c1ccc(C[N@@H+]2CCCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000096895229 183397006 /nfs/dbraw/zinc/39/70/06/183397006.db2.gz NUUAHFCEWHBQLZ-MRXNPFEDSA-N 2 1 244.382 2.795 10 0 BFAEMP c1ccc(C[N@H+]2CCCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000096895229 183397009 /nfs/dbraw/zinc/39/70/09/183397009.db2.gz NUUAHFCEWHBQLZ-MRXNPFEDSA-N 2 1 244.382 2.795 10 0 BFAEMP CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000082646686 169275628 /nfs/dbraw/zinc/27/56/28/169275628.db2.gz RDANJHDVDQPYMF-KBPBESRZSA-N 2 1 226.408 2.743 10 0 BFAEMP C[N@H+](Cc1ccccc1)[C@@H](C[NH3+])CC(C)(C)C ZINC000061839687 384791298 /nfs/dbraw/zinc/79/12/98/384791298.db2.gz LLXPOWVOILLIDX-CQSZACIVSA-N 2 1 234.387 2.882 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])CC(C)(C)C ZINC000061839687 384791303 /nfs/dbraw/zinc/79/13/03/384791303.db2.gz LLXPOWVOILLIDX-CQSZACIVSA-N 2 1 234.387 2.882 10 0 BFAEMP CCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000309459152 385589940 /nfs/dbraw/zinc/58/99/40/385589940.db2.gz NKBUEVKAGLFINY-OCCSQVGLSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CC2(CCC2)C1 ZINC000336778642 386468572 /nfs/dbraw/zinc/46/85/72/386468572.db2.gz LWHULJGALSISFL-LBPRGKRZSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000300024128 386800771 /nfs/dbraw/zinc/80/07/71/386800771.db2.gz KTKJVKZHPLPTNH-IJLUTSLNSA-N 2 1 212.381 2.528 10 0 BFAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)[C@H](C)C1 ZINC000396695784 387485837 /nfs/dbraw/zinc/48/58/37/387485837.db2.gz JHPJYUJWVWKKAS-PEBLQZBPSA-N 2 1 224.392 2.541 10 0 BFAEMP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCCC1 ZINC000396715927 387488025 /nfs/dbraw/zinc/48/80/25/387488025.db2.gz OHCQAZMRMGSULA-FPMFFAJLSA-N 2 1 224.392 2.685 10 0 BFAEMP c1ccc2c(c1)cc[nH+]c2NCC[C@H]1CC[NH2+]C1 ZINC000168722646 387906340 /nfs/dbraw/zinc/90/63/40/387906340.db2.gz WJRDGXAXKVYFAG-GFCCVEGCSA-N 2 1 241.338 2.646 10 0 BFAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646092999 388140849 /nfs/dbraw/zinc/14/08/49/388140849.db2.gz QHZXHSKUDANTJF-GBJTYRQASA-N 2 1 236.403 2.639 10 0 BFAEMP CC(C)C1([NH2+]CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000339509560 388484049 /nfs/dbraw/zinc/48/40/49/388484049.db2.gz SEFRGAYUTFJSQH-CYBMUJFWSA-N 2 1 224.392 2.639 10 0 BFAEMP CCCC[N@H+]1CC[C@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226858781 134370299 /nfs/dbraw/zinc/37/02/99/134370299.db2.gz SPNCBOUPTILNOT-GJZGRUSLSA-N 2 1 238.419 2.983 10 0 BFAEMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](C)[C@H]2CN)c1 ZINC000227192154 134374952 /nfs/dbraw/zinc/37/49/52/134374952.db2.gz NMZNPQXIOWPHIU-GOEBONIOSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1cc(C)cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000227192154 134374953 /nfs/dbraw/zinc/37/49/53/134374953.db2.gz NMZNPQXIOWPHIU-GOEBONIOSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000227192154 134374954 /nfs/dbraw/zinc/37/49/54/134374954.db2.gz NMZNPQXIOWPHIU-GOEBONIOSA-N 2 1 246.398 2.863 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252512905 135091841 /nfs/dbraw/zinc/09/18/41/135091841.db2.gz DLHNMUKHODWIRF-BARDWOONSA-N 2 1 236.403 2.782 10 0 BFAEMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000258646613 135133107 /nfs/dbraw/zinc/13/31/07/135133107.db2.gz DEDPAJCHMPQSAP-AWEZNQCLSA-N 2 1 232.371 2.554 10 0 BFAEMP CC(C)[NH2+]Cc1occc1C[N@H+]1CC[C@H](C)C1 ZINC000052484437 167123572 /nfs/dbraw/zinc/12/35/72/167123572.db2.gz FBWIUEOETHYBPM-LBPRGKRZSA-N 2 1 236.359 2.619 10 0 BFAEMP CC(C)[NH2+][C@]1(C[NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000050270740 167143179 /nfs/dbraw/zinc/14/31/79/167143179.db2.gz LBMCDAUGNPYZPN-WCQYABFASA-N 2 1 212.381 2.528 10 0 BFAEMP C[C@H](C[C@H](C)[NH3+])Nc1[nH+]ccc2ccccc21 ZINC000228267394 487601433 /nfs/dbraw/zinc/60/14/33/487601433.db2.gz FVKQCIGYHNZKBG-WDEREUQCSA-N 2 1 229.327 2.773 10 0 BFAEMP CC(C)C[NH2+]C[C@H](C(C)C)[NH+]1CCCCC1 ZINC000052421144 167006339 /nfs/dbraw/zinc/00/63/39/167006339.db2.gz NPADBQHISCXPPX-CQSZACIVSA-N 2 1 226.408 2.743 10 0 BFAEMP CC(C)[NH2+]CCCC[N@@H+](C)Cc1ccccc1 ZINC000037634887 167102647 /nfs/dbraw/zinc/10/26/47/167102647.db2.gz VYCRFSQUEHOZLZ-UHFFFAOYSA-N 2 1 234.387 2.897 10 0 BFAEMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC000300087631 411081599 /nfs/dbraw/zinc/08/15/99/411081599.db2.gz NBVZGBWNORTUPF-SOUVJXGZSA-N 2 1 246.398 2.952 10 0 BFAEMP CCC1CCC([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396728951 411240565 /nfs/dbraw/zinc/24/05/65/411240565.db2.gz XJYUGPNTKQNBIJ-GFJIZPEISA-N 2 1 224.392 2.685 10 0 BFAEMP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000037241331 170109087 /nfs/dbraw/zinc/10/90/87/170109087.db2.gz SQSULUXSFBMQBO-ZDUSSCGKSA-N 2 1 232.371 2.822 10 0 BFAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)o1 ZINC000054628606 170109592 /nfs/dbraw/zinc/10/95/92/170109592.db2.gz JPMYUBAVKLVKQZ-AGUYFDCRSA-N 2 1 248.370 2.693 10 0 BFAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)o1 ZINC000054628606 170109593 /nfs/dbraw/zinc/10/95/93/170109593.db2.gz JPMYUBAVKLVKQZ-AGUYFDCRSA-N 2 1 248.370 2.693 10 0 BFAEMP CC[NH2+]CC1(C[N@@H+](C)C[C@@H]2C[C@@H]2C)CCCC1 ZINC000104410728 170110186 /nfs/dbraw/zinc/11/01/86/170110186.db2.gz LORUVOLBWFUQOC-KBPBESRZSA-N 2 1 238.419 2.744 10 0 BFAEMP CC[NH2+]CC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095091527 170117217 /nfs/dbraw/zinc/11/72/17/170117217.db2.gz BGEZLGMKZBPRSL-OAHLLOKOSA-N 2 1 232.371 2.508 10 0 BFAEMP CC[NH2+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095091552 170117665 /nfs/dbraw/zinc/11/76/65/170117665.db2.gz SVLRXLRAGLWNMO-INIZCTEOSA-N 2 1 246.398 2.898 10 0 BFAEMP CC[NH2+]C[C@@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000053034217 170120050 /nfs/dbraw/zinc/12/00/50/170120050.db2.gz DIKRLGBJPANRPI-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP CC[NH2+]Cc1cc(Cn2cc[nH+]c2CC)c(C)o1 ZINC000052593202 170125823 /nfs/dbraw/zinc/12/58/23/170125823.db2.gz FXSXNUREXAMGNC-UHFFFAOYSA-N 2 1 247.342 2.505 10 0 BFAEMP CC[NH2+]Cc1coc(C[N@@H+](CC)CC(C)C)c1 ZINC000052449780 170130091 /nfs/dbraw/zinc/13/00/91/170130091.db2.gz BRGPQROGJBJQES-UHFFFAOYSA-N 2 1 238.375 2.867 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2C)[C@H](C)C1 ZINC000049712989 170151681 /nfs/dbraw/zinc/15/16/81/170151681.db2.gz JXPROWQHAZTSRY-GDBMZVCRSA-N 2 1 246.398 2.957 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C[C@@H]1C ZINC000049709171 170151953 /nfs/dbraw/zinc/15/19/53/170151953.db2.gz CQFBLJSZURUHLC-GXTWGEPZSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2C)C[C@@H]1C ZINC000049712979 170152116 /nfs/dbraw/zinc/15/21/16/170152116.db2.gz GRDPACIOCJFHJL-GOEBONIOSA-N 2 1 246.398 2.815 10 0 BFAEMP CC[NH2+][C@H](C)c1cc(F)ccc1-n1cc[nH+]c1C ZINC000034663927 170158837 /nfs/dbraw/zinc/15/88/37/170158837.db2.gz BBPLTVRNTPDZTN-SNVBAGLBSA-N 2 1 247.317 2.990 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](C2CCC(C)CC2)C[C@@H]1C ZINC000049709740 170166462 /nfs/dbraw/zinc/16/64/62/170166462.db2.gz CWWWIQYQLUGTSW-SHWKFHJASA-N 2 1 238.419 2.885 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C[C@@H]1C ZINC000049709173 170166541 /nfs/dbraw/zinc/16/65/41/170166541.db2.gz CQFBLJSZURUHLC-JSGCOSHPSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)n1cc[nH+]c1C ZINC000042915850 170869274 /nfs/dbraw/zinc/86/92/74/170869274.db2.gz JQBNHMSJXMQQPX-CABCVRRESA-N 2 1 243.354 2.827 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000049664758 171012562 /nfs/dbraw/zinc/01/25/62/171012562.db2.gz ZDPWTLYBLVUTHV-MRXNPFEDSA-N 2 1 246.398 2.693 10 0 BFAEMP CC[C@@H]1C[N@H+](C2C[C@H](C)C[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000134101549 171077330 /nfs/dbraw/zinc/07/73/30/171077330.db2.gz PUWCTUFLCVJQFI-LJIAPDMLSA-N 2 1 238.419 2.870 10 0 BFAEMP CC[C@@H]1C[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096985068 171101053 /nfs/dbraw/zinc/10/10/53/171101053.db2.gz ZPNZSWOGOBFLSW-CVEARBPZSA-N 2 1 244.382 2.508 10 0 BFAEMP CC[C@H](C)[NH2+]C[C@H](C)[N@H+](CCOC)[C@@H](C)CC ZINC000053497290 171342535 /nfs/dbraw/zinc/34/25/35/171342535.db2.gz ZDUQUYUMZSDQFG-IHRRRGAJSA-N 2 1 244.423 2.510 10 0 BFAEMP CC[C@H](C)[NH2+]C[C@H](C)[N@@H+](CCOC)[C@@H](C)CC ZINC000053497290 171342536 /nfs/dbraw/zinc/34/25/36/171342536.db2.gz ZDUQUYUMZSDQFG-IHRRRGAJSA-N 2 1 244.423 2.510 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1Cl ZINC000043053384 172029875 /nfs/dbraw/zinc/02/98/75/172029875.db2.gz VNFREVYZPUDASJ-LBPRGKRZSA-N 2 1 249.745 2.647 10 0 BFAEMP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000082328952 173042783 /nfs/dbraw/zinc/04/27/83/173042783.db2.gz IOSRAGZREJRDJW-DGCLKSJQSA-N 2 1 238.762 2.682 10 0 BFAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000082328952 173042784 /nfs/dbraw/zinc/04/27/84/173042784.db2.gz IOSRAGZREJRDJW-DGCLKSJQSA-N 2 1 238.762 2.682 10 0 BFAEMP C[NH2+]C(C)(C)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000061319618 173318947 /nfs/dbraw/zinc/31/89/47/173318947.db2.gz SEIZPBYAWQZKKZ-STQMWFEESA-N 2 1 224.392 2.639 10 0 BFAEMP C[NH2+]CC1(C[N@@H+](C)CC2CCCC2)CCCC1 ZINC000104350997 173337499 /nfs/dbraw/zinc/33/74/99/173337499.db2.gz MCFHKNRVHNRKFO-UHFFFAOYSA-N 2 1 238.419 2.888 10 0 BFAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCCC1(C)C ZINC000063073971 173390784 /nfs/dbraw/zinc/39/07/84/173390784.db2.gz RKJZRXUIFWNJQI-UHFFFAOYSA-N 2 1 232.371 2.780 10 0 BFAEMP COc1ccc(C[NH3+])cc1C[N@H+]1CCCC1(C)C ZINC000063066918 175097841 /nfs/dbraw/zinc/09/78/41/175097841.db2.gz YWOHUXLDCWLBSM-UHFFFAOYSA-N 2 1 248.370 2.528 10 0 BFAEMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049713939 176025647 /nfs/dbraw/zinc/02/56/47/176025647.db2.gz UAPHPNRVYJDBTQ-WOPDTQHZSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049713939 176025648 /nfs/dbraw/zinc/02/56/48/176025648.db2.gz UAPHPNRVYJDBTQ-WOPDTQHZSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1CC1(C[NH3+])CCCCC1 ZINC000049819832 176070987 /nfs/dbraw/zinc/07/09/87/176070987.db2.gz MHPKJCNBNGDHCD-CYBMUJFWSA-N 2 1 224.392 2.770 10 0 BFAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH3+])CCCC2)[C@@H]1C ZINC000051249256 176097109 /nfs/dbraw/zinc/09/71/09/176097109.db2.gz JBFSEPMSHRUVNM-CHWSQXEVSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@@H]1CC[N@@H+](CC2CCC([NH3+])CC2)[C@H](C)C1 ZINC000051746710 176168656 /nfs/dbraw/zinc/16/86/56/176168656.db2.gz RGVFVXWGVNLHAJ-IWMBGFJWSA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000052484694 176176275 /nfs/dbraw/zinc/17/62/75/176176275.db2.gz PSLXHXQYFZAGTL-CYBMUJFWSA-N 2 1 244.382 2.780 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694217 176370618 /nfs/dbraw/zinc/37/06/18/176370618.db2.gz WNZWNQXTGGXDPC-OMBAJQCTSA-N 2 1 248.414 2.767 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1(C)CCCCC1 ZINC000045046050 176371864 /nfs/dbraw/zinc/37/18/64/176371864.db2.gz NFVQOJBLOINVDM-NEPJUHHUSA-N 2 1 210.365 2.521 10 0 BFAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000104417811 176392198 /nfs/dbraw/zinc/39/21/98/176392198.db2.gz UEVKXXZCYBCXEP-BNOWGMLFSA-N 2 1 245.370 2.642 10 0 BFAEMP C[C@@H]1C([NH3+])[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592758 177060450 /nfs/dbraw/zinc/06/04/50/177060450.db2.gz ZOZDGKPSUAGAMX-RQPOKHFESA-N 2 1 246.398 2.879 10 0 BFAEMP C[C@H]1CCCC[N@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055015011 177078530 /nfs/dbraw/zinc/07/85/30/177078530.db2.gz MLPTVOIZOMULKB-ZFWWWQNUSA-N 2 1 232.371 2.951 10 0 BFAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)C1CCC([NH3+])CC1 ZINC000055144609 177087559 /nfs/dbraw/zinc/08/75/59/177087559.db2.gz ZRBFQOFIMOWNNN-GFJIZPEISA-N 2 1 224.392 2.767 10 0 BFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC(C)(C)C[NH2+]C1CC1 ZINC000051249267 177096082 /nfs/dbraw/zinc/09/60/82/177096082.db2.gz WEXXZBMUUIEPBA-QWHCGFSZSA-N 2 1 238.419 2.885 10 0 BFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(C[NH3+])CCCC1 ZINC000051249257 177096761 /nfs/dbraw/zinc/09/67/61/177096761.db2.gz JBFSEPMSHRUVNM-QWHCGFSZSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000050565057 177099455 /nfs/dbraw/zinc/09/94/55/177099455.db2.gz IMURLLRMJDYPHZ-NWDGAFQWSA-N 2 1 245.370 2.591 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000019512929 177117839 /nfs/dbraw/zinc/11/78/39/177117839.db2.gz QMSDCZPYNCALQV-TXEJJXNPSA-N 2 1 245.370 2.734 10 0 BFAEMP C[C@H]1CCC[C@@H]([N@@H+](C)C2(CN)CCCC2)C1 ZINC000042492446 177120837 /nfs/dbraw/zinc/12/08/37/177120837.db2.gz DTXROVOXKHXSII-QWHCGFSZSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CCC2CCCC2)C1 ZINC000049666897 177158123 /nfs/dbraw/zinc/15/81/23/177158123.db2.gz MIJJOZILIUEPIL-KGLIPLIRSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666701 177169463 /nfs/dbraw/zinc/16/94/63/177169463.db2.gz NOCQRURULMFUTP-MJBXVCDLSA-N 2 1 247.386 2.605 10 0 BFAEMP C[C@@H](Cc1ccccc1)[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000062191237 177169830 /nfs/dbraw/zinc/16/98/30/177169830.db2.gz KKMRPBAAJBMJES-GJZGRUSLSA-N 2 1 246.398 2.692 10 0 BFAEMP C[C@@H](c1ccccn1)[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049666674 177170186 /nfs/dbraw/zinc/17/01/86/177170186.db2.gz JGFRCIJBEYPTAJ-IHRRRGAJSA-N 2 1 247.386 2.605 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000053860444 177312606 /nfs/dbraw/zinc/31/26/06/177312606.db2.gz MZLBPGBUVJYJDG-MRLBHPIUSA-N 2 1 238.419 2.728 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@H+](CC(C)(C)C[NH2+]C2CC2)C1 ZINC000051206923 177313408 /nfs/dbraw/zinc/31/34/08/177313408.db2.gz QPWCQXGAIUHYMJ-BETUJISGSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000053860475 177313860 /nfs/dbraw/zinc/31/38/60/177313860.db2.gz LOSRMQWHKDCOES-XGUBFFRZSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000021951951 177314212 /nfs/dbraw/zinc/31/42/12/177314212.db2.gz QDIVFRZYKVUFLA-BETUJISGSA-N 2 1 232.371 2.623 10 0 BFAEMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1[NH3+] ZINC000169616743 177323326 /nfs/dbraw/zinc/32/33/26/177323326.db2.gz VLNSZQNRDVTFLY-UKTARXLSSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1[NH3+] ZINC000169616743 177323327 /nfs/dbraw/zinc/32/33/27/177323327.db2.gz VLNSZQNRDVTFLY-UKTARXLSSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049713938 177363974 /nfs/dbraw/zinc/36/39/74/177363974.db2.gz UAPHPNRVYJDBTQ-SDDRHHMPSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049713938 177363975 /nfs/dbraw/zinc/36/39/75/177363975.db2.gz UAPHPNRVYJDBTQ-SDDRHHMPSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C1CCCCCCC1 ZINC000049707700 177364001 /nfs/dbraw/zinc/36/40/01/177364001.db2.gz BAOHBKTZUAJWCP-QWHCGFSZSA-N 2 1 224.392 2.911 10 0 BFAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C1(C)CCCCC1 ZINC000045046048 177364692 /nfs/dbraw/zinc/36/46/92/177364692.db2.gz NFVQOJBLOINVDM-NWDGAFQWSA-N 2 1 210.365 2.521 10 0 BFAEMP C[C@@H]1C[N@H+]([C@H]2CCCC23CCC3)C[C@@]1(C)C[NH3+] ZINC000394758422 323107836 /nfs/dbraw/zinc/10/78/36/323107836.db2.gz ZSMVOYMQFSPUDF-HZSPNIEDSA-N 2 1 236.403 2.626 10 0 BFAEMP CCC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CCC1 ZINC000396709974 323653681 /nfs/dbraw/zinc/65/36/81/323653681.db2.gz LQEXVBUBPXRTOI-BNOWGMLFSA-N 2 1 224.392 2.685 10 0 BFAEMP CC(C)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000319545637 488058504 /nfs/dbraw/zinc/05/85/04/488058504.db2.gz NZHJOEAQYWRAGX-BMFZPTHFSA-N 2 1 246.398 2.705 10 0 BFAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000396709200 487532195 /nfs/dbraw/zinc/53/21/95/487532195.db2.gz OSAINGBWQUJQHL-SGMGOOAPSA-N 2 1 224.392 2.685 10 0 BFAEMP C[N@@H+](CCC(C)(C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000406069676 487498886 /nfs/dbraw/zinc/49/88/86/487498886.db2.gz QQIKGOBKZSMEOK-CQSZACIVSA-N 2 1 238.419 2.887 10 0 BFAEMP CC(C)C[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000242620170 519731263 /nfs/dbraw/zinc/73/12/63/519731263.db2.gz PWEIUIPUEISWCC-CHWSQXEVSA-N 2 1 226.408 2.741 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH2+]C(C)(C)C)C[C@H]1C ZINC000252474307 519863748 /nfs/dbraw/zinc/86/37/48/519863748.db2.gz APBZMGNEBUOJKJ-NEPJUHHUSA-N 2 1 212.381 2.637 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH+](CC)CC)C[C@H]1C ZINC000242648565 519864102 /nfs/dbraw/zinc/86/41/02/519864102.db2.gz RAKQYTWEXQVFNT-OLZOCXBDSA-N 2 1 212.381 2.591 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH+](CC)CC)C[C@H]1C ZINC000252475258 520595826 /nfs/dbraw/zinc/59/58/26/520595826.db2.gz XBBXLGXLFDDTMV-ZIAGYGMSSA-N 2 1 226.408 2.981 10 0 BFAEMP C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000247954484 525101513 /nfs/dbraw/zinc/10/15/13/525101513.db2.gz ZOZDGKPSUAGAMX-LRDNVRMFSA-N 2 1 246.398 2.879 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000252513098 535824662 /nfs/dbraw/zinc/82/46/62/535824662.db2.gz KFTHNWHLLWPSCF-CRWXNKLISA-N 2 1 224.392 2.637 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000252513098 535824663 /nfs/dbraw/zinc/82/46/63/535824663.db2.gz KFTHNWHLLWPSCF-CRWXNKLISA-N 2 1 224.392 2.637 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252512909 535824723 /nfs/dbraw/zinc/82/47/23/535824723.db2.gz DLHNMUKHODWIRF-QPSCCSFWSA-N 2 1 236.403 2.782 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132608 582507579 /nfs/dbraw/zinc/50/75/79/582507579.db2.gz ROJXGNDTUUGSQA-IHRRRGAJSA-N 2 1 224.392 2.639 10 0 BFAEMP CCCCCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1 ZINC000087399095 640886018 /nfs/dbraw/zinc/88/60/18/640886018.db2.gz PZZRLHQHMHRAJJ-LBPRGKRZSA-N 2 1 212.381 2.544 10 0 BFAEMP CCCCCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231668814 641192997 /nfs/dbraw/zinc/19/29/97/641192997.db2.gz ZDCXODYZYLCEHR-ZDUSSCGKSA-N 2 1 212.381 2.641 10 0 BFAEMP C[C@H](C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709178902 712203502 /nfs/dbraw/zinc/20/35/02/712203502.db2.gz RKJPNLLNGRJTLA-RWMBFGLXSA-N 2 1 226.408 2.585 10 0 BFAEMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378831184 712363586 /nfs/dbraw/zinc/36/35/86/712363586.db2.gz RZWAGXUKJKGSDL-GJZGRUSLSA-N 2 1 236.403 2.641 10 0 BFAEMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719235662 712800740 /nfs/dbraw/zinc/80/07/40/712800740.db2.gz HDXLKSPYHLLPCV-CQSZACIVSA-N 2 1 249.402 2.911 10 0 BFAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)CC[C@@H]2C ZINC000685955292 538900313 /nfs/dbraw/zinc/90/03/13/538900313.db2.gz XJQTYBFEUIBKIB-RFGFWPKPSA-N 2 1 224.392 2.623 10 0 BFAEMP CCC(CC)(C[NH3+])C[N@H+]1CCc2ccccc2C1 ZINC000051212953 168323137 /nfs/dbraw/zinc/32/31/37/168323137.db2.gz WPTIKOAZQLDYRC-UHFFFAOYSA-N 2 1 246.398 2.810 10 0 BFAEMP CC(C)C[C@](C)(C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000019807893 187252721 /nfs/dbraw/zinc/25/27/21/187252721.db2.gz DZADQLIMDBXRRS-MRXNPFEDSA-N 2 1 246.398 2.808 10 0 BFAEMP CC(C)C[C@](C)(C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000019807893 187252722 /nfs/dbraw/zinc/25/27/22/187252722.db2.gz DZADQLIMDBXRRS-MRXNPFEDSA-N 2 1 246.398 2.808 10 0 BFAEMP CC(C)[N@H+](Cc1cccc(C(N)=[NH2+])c1)CC1CC1 ZINC000042584223 187266558 /nfs/dbraw/zinc/26/65/58/187266558.db2.gz AJIOARCTGAKQCA-UHFFFAOYSA-N 2 1 245.370 2.591 10 0 BFAEMP C[N@H+]1CCC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC000044534345 187268309 /nfs/dbraw/zinc/26/83/09/187268309.db2.gz DQXFCADKABGVMQ-INIZCTEOSA-N 2 1 246.398 2.551 10 0 BFAEMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[C@H]1[NH3+] ZINC000249705319 362276953 /nfs/dbraw/zinc/27/69/53/362276953.db2.gz HTTARJQCGFRWMQ-LSDHHAIUSA-N 2 1 232.371 2.636 10 0 BFAEMP C[C@H](CC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000634998189 345197212 /nfs/dbraw/zinc/19/72/12/345197212.db2.gz BZPYPQUNPPUBBJ-YCPHGPKFSA-N 2 1 246.398 2.707 10 0 BFAEMP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000142153135 345856756 /nfs/dbraw/zinc/85/67/56/345856756.db2.gz CTHAKBRIQNCWOJ-AWEZNQCLSA-N 2 1 232.371 2.507 10 0 BFAEMP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000142153135 345856759 /nfs/dbraw/zinc/85/67/59/345856759.db2.gz CTHAKBRIQNCWOJ-AWEZNQCLSA-N 2 1 232.371 2.507 10 0 BFAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@H](C)CC2)c1 ZINC000044390358 179073044 /nfs/dbraw/zinc/07/30/44/179073044.db2.gz ZYAISSVLKVARFY-CQSZACIVSA-N 2 1 232.371 2.569 10 0 BFAEMP Cc1cccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000235335089 179079915 /nfs/dbraw/zinc/07/99/15/179079915.db2.gz ITFQMMQGSNAAGA-UKRRQHHQSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000235335089 179079917 /nfs/dbraw/zinc/07/99/17/179079917.db2.gz ITFQMMQGSNAAGA-UKRRQHHQSA-N 2 1 232.371 2.554 10 0 BFAEMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)C1 ZINC000394515851 346542662 /nfs/dbraw/zinc/54/26/62/346542662.db2.gz MFIKHFIXWPWQBD-RFQIPJPRSA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@H](c1cccs1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380777445 347304425 /nfs/dbraw/zinc/30/44/25/347304425.db2.gz AYGZCOMOHOGKBF-NQBHXWOUSA-N 2 1 238.400 2.726 10 0 BFAEMP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070578496 179270207 /nfs/dbraw/zinc/27/02/07/179270207.db2.gz GLIYHFPVTOOOFC-ZBFHGGJFSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1ccccc1C[N@@H+](C)CCCC[NH2+]C1CC1 ZINC000052547012 179269476 /nfs/dbraw/zinc/26/94/76/179269476.db2.gz RLRHVFGVRXBULJ-UHFFFAOYSA-N 2 1 246.398 2.959 10 0 BFAEMP Cc1ccccc1C[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000062615840 179273166 /nfs/dbraw/zinc/27/31/66/179273166.db2.gz RWAYRNMCHVWRBH-UHFFFAOYSA-N 2 1 232.371 2.569 10 0 BFAEMP Cc1ccccc1C[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666760 179275823 /nfs/dbraw/zinc/27/58/23/179275823.db2.gz OZFIJOXGQMYZEN-OKILXGFUSA-N 2 1 246.398 2.672 10 0 BFAEMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000049713916 179336025 /nfs/dbraw/zinc/33/60/25/179336025.db2.gz LAYJFHCECWNEIF-IHRRRGAJSA-N 2 1 232.371 2.868 10 0 BFAEMP CC(C)[N@H+](C)C[C@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385037 538019854 /nfs/dbraw/zinc/01/98/54/538019854.db2.gz UZCPQTAFOBQHBR-CYBMUJFWSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)[N@@H+](C)C[C@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385037 538019858 /nfs/dbraw/zinc/01/98/58/538019858.db2.gz UZCPQTAFOBQHBR-CYBMUJFWSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CCC1CCCCCC1 ZINC000394652156 349034051 /nfs/dbraw/zinc/03/40/51/349034051.db2.gz ZMVVTQULGRIXQA-OCCSQVGLSA-N 2 1 224.392 2.768 10 0 BFAEMP Cc1[nH+]ccn1[C@@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000023067533 180272354 /nfs/dbraw/zinc/27/23/54/180272354.db2.gz TTWLBWQANZBFOF-HUUCEWRRSA-N 2 1 241.338 2.769 10 0 BFAEMP Cc1[nH+]ccn1[C@H](C)C[NH2+]C1CCCCC1 ZINC000053500426 180270954 /nfs/dbraw/zinc/27/09/54/180270954.db2.gz GCLKUPJSZOLICA-LLVKDONJSA-N 2 1 221.348 2.675 10 0 BFAEMP Cc1[nH+]cn([C@H]2CCCCC[C@H]2C[NH3+])c1C ZINC000051926070 180289013 /nfs/dbraw/zinc/28/90/13/180289013.db2.gz YYBOPPZWTKWTCC-STQMWFEESA-N 2 1 221.348 2.580 10 0 BFAEMP Cc1[nH+]cn([C@H](c2ccc(F)cc2)[C@H](C)[NH3+])c1C ZINC000051925579 180289134 /nfs/dbraw/zinc/28/91/34/180289134.db2.gz USIVZBSKHXVUDQ-XPTSAGLGSA-N 2 1 247.317 2.576 10 0 BFAEMP C[C@@H](C[NH2+]C1CC1)C[N@@H+](C)Cc1ccccc1 ZINC000052417421 350991751 /nfs/dbraw/zinc/99/17/51/350991751.db2.gz MYMISAURLNHQPL-ZDUSSCGKSA-N 2 1 232.371 2.507 10 0 BFAEMP CNc1cccc([C@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616624409 351091761 /nfs/dbraw/zinc/09/17/61/351091761.db2.gz NCNWDGIORUMRBQ-OAHLLOKOSA-N 2 1 247.386 2.604 10 0 BFAEMP CNc1cccc([C@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616624409 351091764 /nfs/dbraw/zinc/09/17/64/351091764.db2.gz NCNWDGIORUMRBQ-OAHLLOKOSA-N 2 1 247.386 2.604 10 0 BFAEMP CCc1[nH+]ccn1-c1cccc(Cl)c1C[NH3+] ZINC000042420068 188293292 /nfs/dbraw/zinc/29/32/92/188293292.db2.gz UUTZVGQXGWGQII-UHFFFAOYSA-N 2 1 235.718 2.547 10 0 BFAEMP Cc1ccc(C)c(C[N@H+](CCC(N)=[NH2+])C(C)C)c1 ZINC000042529788 188294077 /nfs/dbraw/zinc/29/40/77/188294077.db2.gz LTZXBBXACWVWAZ-UHFFFAOYSA-N 2 1 247.386 2.840 10 0 BFAEMP NC(=[NH2+])CCCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000049579749 181187070 /nfs/dbraw/zinc/18/70/70/181187070.db2.gz FHNIZKYLXJMZIR-QWHCGFSZSA-N 2 1 237.391 2.747 10 0 BFAEMP CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000675055482 538475627 /nfs/dbraw/zinc/47/56/27/538475627.db2.gz UAWONBOMHYWVIG-QWHCGFSZSA-N 2 1 238.762 2.824 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000675055482 538475629 /nfs/dbraw/zinc/47/56/29/538475629.db2.gz UAWONBOMHYWVIG-QWHCGFSZSA-N 2 1 238.762 2.824 10 0 BFAEMP C[C@@H]1CCC[N@@H+](C2CC3(C2)CC[NH2+]CC3)[C@@H]1C ZINC000675069272 538498359 /nfs/dbraw/zinc/49/83/59/538498359.db2.gz DVIPKKBDSCCIGT-CHWSQXEVSA-N 2 1 236.403 2.639 10 0 BFAEMP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000192319646 357830059 /nfs/dbraw/zinc/83/00/59/357830059.db2.gz NHOSBJCOSZRPJF-AGUYFDCRSA-N 2 1 222.376 2.558 10 0 BFAEMP CCC[N@@H+](CCCC[NH3+])C1Cc2ccccc2C1 ZINC000584615165 358279829 /nfs/dbraw/zinc/27/98/29/358279829.db2.gz LBCNLIPQWQMKLD-UHFFFAOYSA-N 2 1 246.398 2.605 10 0 BFAEMP CC[N@H+](Cc1ccccc1)C[C@H]1CCC[C@@H]1[NH3+] ZINC000053864841 358430905 /nfs/dbraw/zinc/43/09/05/358430905.db2.gz HTTARJQCGFRWMQ-CABCVRRESA-N 2 1 232.371 2.636 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000070281811 359048493 /nfs/dbraw/zinc/04/84/93/359048493.db2.gz NHYJZRVGCJQECM-LSDHHAIUSA-N 2 1 232.371 2.677 10 0 BFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC1 ZINC000090773356 360086611 /nfs/dbraw/zinc/08/66/11/360086611.db2.gz YGOZZBHOYPMELV-UKRRQHHQSA-N 2 1 238.419 2.885 10 0 BFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC1 ZINC000090773356 360086614 /nfs/dbraw/zinc/08/66/14/360086614.db2.gz YGOZZBHOYPMELV-UKRRQHHQSA-N 2 1 238.419 2.885 10 0 BFAEMP CC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000306603861 360531863 /nfs/dbraw/zinc/53/18/63/360531863.db2.gz XXDDAPSXPJJOQQ-SWLSCSKDSA-N 2 1 245.370 2.626 10 0 BFAEMP C[C@@H]1C[N@H+]([C@H]2[C@H](C)CCC[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000379749442 361479780 /nfs/dbraw/zinc/47/97/80/361479780.db2.gz IIDRXKCYKWSXEH-QKGCVVFFSA-N 2 1 238.419 2.728 10 0 BFAEMP [NH3+]CCCCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598406 181375560 /nfs/dbraw/zinc/37/55/60/181375560.db2.gz ZCTBHWIMYNDGLI-HNNXBMFYSA-N 2 1 232.371 2.605 10 0 BFAEMP CCCC[C@H]([NH3+])C[N@@H+]1CCCc2ccccc2C1 ZINC000062946173 169008605 /nfs/dbraw/zinc/00/86/05/169008605.db2.gz GXUWUHBFKULQCT-INIZCTEOSA-N 2 1 246.398 2.952 10 0 BFAEMP CCCC[C@H]([NH3+])C[N@H+]1CCCc2ccccc2C1 ZINC000062946173 169008608 /nfs/dbraw/zinc/00/86/08/169008608.db2.gz GXUWUHBFKULQCT-INIZCTEOSA-N 2 1 246.398 2.952 10 0 BFAEMP CCCC[C@H]([NH3+])C[N@@H+](CCOC)C(CC)CC ZINC000042696957 169008894 /nfs/dbraw/zinc/00/88/94/169008894.db2.gz UTUQRCSHPLVSQR-ZDUSSCGKSA-N 2 1 244.423 2.641 10 0 BFAEMP CCC[N@@H+](C)C[C@@H](C)[C@H]([NH2+]C)c1ccccc1 ZINC000053939297 169079724 /nfs/dbraw/zinc/07/97/24/169079724.db2.gz MPLCBLKKUGIEIY-HIFRSBDPSA-N 2 1 234.387 2.925 10 0 BFAEMP CCC[N@H+](CC)[C@H](c1ccc(F)cc1)[C@@H](C)N ZINC000042913695 169132670 /nfs/dbraw/zinc/13/26/70/169132670.db2.gz IVGAPCGDRYVEQG-RISCZKNCSA-N 2 1 238.350 2.946 10 0 BFAEMP CCC[N@@H+](CCC[NH3+])Cc1cc(C)ccc1C ZINC000049256645 169155670 /nfs/dbraw/zinc/15/56/70/169155670.db2.gz BCOKRQFFBLUQIN-UHFFFAOYSA-N 2 1 234.387 2.864 10 0 BFAEMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCCCC2)C1 ZINC000076453346 169207483 /nfs/dbraw/zinc/20/74/83/169207483.db2.gz ZWYXTXUOOXQSAM-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C)C ZINC000054601584 169256104 /nfs/dbraw/zinc/25/61/04/169256104.db2.gz IHIFVPJFMQSMRR-AGUYFDCRSA-N 2 1 224.392 2.780 10 0 BFAEMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC000054601584 169256106 /nfs/dbraw/zinc/25/61/06/169256106.db2.gz IHIFVPJFMQSMRR-AGUYFDCRSA-N 2 1 224.392 2.780 10 0 BFAEMP CCC[NH2+]Cc1ccccc1Cn1cc[nH+]c1C ZINC000052576213 169267548 /nfs/dbraw/zinc/26/75/48/169267548.db2.gz MDPGNUVZTIQJMN-UHFFFAOYSA-N 2 1 243.354 2.739 10 0 BFAEMP CCC[NH2+]Cc1ccoc1C[N@H+]1CCC[C@H]1C ZINC000052375692 169267978 /nfs/dbraw/zinc/26/79/78/169267978.db2.gz CXJYEYNZGFLFNR-GFCCVEGCSA-N 2 1 236.359 2.764 10 0 BFAEMP c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000096985043 183399172 /nfs/dbraw/zinc/39/91/72/183399172.db2.gz ZZAVDRJABMDWGG-HOTGVXAUSA-N 2 1 244.382 2.793 10 0 BFAEMP c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000096985043 183399175 /nfs/dbraw/zinc/39/91/75/183399175.db2.gz ZZAVDRJABMDWGG-HOTGVXAUSA-N 2 1 244.382 2.793 10 0 BFAEMP CCC[NH2+][C@H]1CCC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926738 169291784 /nfs/dbraw/zinc/29/17/84/169291784.db2.gz YGKLZROAAMQCFA-STQMWFEESA-N 2 1 221.348 2.593 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592744 384002674 /nfs/dbraw/zinc/00/26/74/384002674.db2.gz ZJJABKUGECYXQM-GUIRCDHDSA-N 2 1 232.371 2.633 10 0 BFAEMP CC(C)[C@@H]([NH3+])CCN(C)c1cc[nH+]cc1Cl ZINC000227738902 134385551 /nfs/dbraw/zinc/38/55/51/134385551.db2.gz QBJLSZPMEZNYSJ-NSHDSACASA-N 2 1 241.766 2.545 10 0 BFAEMP CC(C)CC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309468142 384091138 /nfs/dbraw/zinc/09/11/38/384091138.db2.gz WFEZZWRPGTXCMA-HZSPNIEDSA-N 2 1 226.408 2.728 10 0 BFAEMP C[N@H+](Cc1ccccc1)[C@H](C[NH3+])CC(C)(C)C ZINC000061839686 384790780 /nfs/dbraw/zinc/79/07/80/384790780.db2.gz LLXPOWVOILLIDX-AWEZNQCLSA-N 2 1 234.387 2.882 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@H](C[NH3+])CC(C)(C)C ZINC000061839686 384790787 /nfs/dbraw/zinc/79/07/87/384790787.db2.gz LLXPOWVOILLIDX-AWEZNQCLSA-N 2 1 234.387 2.882 10 0 BFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)C ZINC000090773379 385092170 /nfs/dbraw/zinc/09/21/70/385092170.db2.gz CURMWBGPLJNGSN-ZIAGYGMSSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)C ZINC000090773379 385092172 /nfs/dbraw/zinc/09/21/72/385092172.db2.gz CURMWBGPLJNGSN-ZIAGYGMSSA-N 2 1 226.408 2.741 10 0 BFAEMP C[C@@H]1C[C@H]([NH3+])[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000169616731 385415946 /nfs/dbraw/zinc/41/59/46/385415946.db2.gz UKWBVZXKIFQVBE-BHPKHCPMSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2)[C@H]1C ZINC000575519181 387442319 /nfs/dbraw/zinc/44/23/19/387442319.db2.gz DHYPIPXNBQPDQY-VNHYZAJKSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575519181 387442326 /nfs/dbraw/zinc/44/23/26/387442326.db2.gz DHYPIPXNBQPDQY-VNHYZAJKSA-N 2 1 232.371 2.634 10 0 BFAEMP CC(C)=CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875978 387524438 /nfs/dbraw/zinc/52/44/38/387524438.db2.gz INOIITIFIJQNFU-UHFFFAOYSA-N 2 1 247.386 2.641 10 0 BFAEMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)s1 ZINC000422811701 387711762 /nfs/dbraw/zinc/71/17/62/387711762.db2.gz VFKLBEKRKUMMJP-YUMQZZPRSA-N 2 1 244.791 2.660 10 0 BFAEMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633204 387858637 /nfs/dbraw/zinc/85/86/37/387858637.db2.gz HRQUHTHZZDSPMN-XHSDSOJGSA-N 2 1 244.382 2.631 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000396647719 387928996 /nfs/dbraw/zinc/92/89/96/387928996.db2.gz CQBBIOUPQBORGK-AVGNSLFASA-N 2 1 224.392 2.685 10 0 BFAEMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)[C@H]1C[C@H]1C ZINC000322211007 388032168 /nfs/dbraw/zinc/03/21/68/388032168.db2.gz UJTPFBMQFJGJJM-QPSCCSFWSA-N 2 1 238.419 2.741 10 0 BFAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1C[C@H]1C ZINC000322221613 388394940 /nfs/dbraw/zinc/39/49/40/388394940.db2.gz XGNGFDQVMVHPKV-AIXJXYAISA-N 2 1 236.403 2.636 10 0 BFAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1C[C@H]1C ZINC000322221613 388394943 /nfs/dbraw/zinc/39/49/43/388394943.db2.gz XGNGFDQVMVHPKV-AIXJXYAISA-N 2 1 236.403 2.636 10 0 BFAEMP CC1(C)SC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393858008 388444001 /nfs/dbraw/zinc/44/40/01/388444001.db2.gz WYGWLDPWSLIYIU-AVGNSLFASA-N 2 1 248.395 2.615 10 0 BFAEMP CC[C@H]([C@@H]1CC1(C)C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000397788136 388498846 /nfs/dbraw/zinc/49/88/46/388498846.db2.gz PSFBSJJCFGACGL-QVHKTLOISA-N 2 1 238.419 2.728 10 0 BFAEMP CC[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128184991 132299813 /nfs/dbraw/zinc/29/98/13/132299813.db2.gz PQCOKSFLPPIOTF-LBPRGKRZSA-N 2 1 247.386 2.747 10 0 BFAEMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000218921649 134268786 /nfs/dbraw/zinc/26/87/86/134268786.db2.gz KUNZWRKLMHPHLI-TZMCWYRMSA-N 2 1 235.375 2.607 10 0 BFAEMP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c(C)c1 ZINC000227191960 134374998 /nfs/dbraw/zinc/37/49/98/134374998.db2.gz CAWSZWNQRSXDKK-XJKSGUPXSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c(C)c1 ZINC000227191960 134374999 /nfs/dbraw/zinc/37/49/99/134374999.db2.gz CAWSZWNQRSXDKK-XJKSGUPXSA-N 2 1 246.398 2.863 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)C1 ZINC000070762347 135013503 /nfs/dbraw/zinc/01/35/03/135013503.db2.gz LAHAWPGMGLQWNY-MJBXVCDLSA-N 2 1 226.408 2.885 10 0 BFAEMP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251518439 135070336 /nfs/dbraw/zinc/07/03/36/135070336.db2.gz GCXUWECXSVUOCB-MGPQQGTHSA-N 2 1 236.403 2.639 10 0 BFAEMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000253191490 135124279 /nfs/dbraw/zinc/12/42/79/135124279.db2.gz MCJIODLPHACTJE-MCIONIFRSA-N 2 1 226.408 2.885 10 0 BFAEMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000253191490 135124280 /nfs/dbraw/zinc/12/42/80/135124280.db2.gz MCJIODLPHACTJE-MCIONIFRSA-N 2 1 226.408 2.885 10 0 BFAEMP CC1(C)C[N@@H+](CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000258604588 135132901 /nfs/dbraw/zinc/13/29/01/135132901.db2.gz AJIBGRDICBEIIY-ZDUSSCGKSA-N 2 1 224.392 2.626 10 0 BFAEMP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538107 135175317 /nfs/dbraw/zinc/17/53/17/135175317.db2.gz CGQBZCNRZOXNEK-RYUDHWBXSA-N 2 1 246.345 2.625 10 0 BFAEMP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538107 135175318 /nfs/dbraw/zinc/17/53/18/135175318.db2.gz CGQBZCNRZOXNEK-RYUDHWBXSA-N 2 1 246.345 2.625 10 0 BFAEMP CC1CCC(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261541254 135181351 /nfs/dbraw/zinc/18/13/51/135181351.db2.gz BALARCRLYAZVPC-RUXDESIVSA-N 2 1 238.419 2.872 10 0 BFAEMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1C ZINC000261560315 135201481 /nfs/dbraw/zinc/20/14/81/135201481.db2.gz FGWWQTGMBMYWOQ-HNNXBMFYSA-N 2 1 246.398 2.863 10 0 BFAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000052373249 167007184 /nfs/dbraw/zinc/00/71/84/167007184.db2.gz CKTZOVZSTKSEAH-SOUVJXGZSA-N 2 1 240.435 2.989 10 0 BFAEMP CN(CCC[NH3+])c1cc[nH+]c2cc(Cl)ccc21 ZINC000037673614 322902791 /nfs/dbraw/zinc/90/27/91/322902791.db2.gz WFBYPGMHUWONHS-UHFFFAOYSA-N 2 1 249.745 2.673 10 0 BFAEMP C[C@@H]([NH3+])C[C@H](C)Nc1[nH+]ccc2ccccc21 ZINC000228267403 487601389 /nfs/dbraw/zinc/60/13/89/487601389.db2.gz FVKQCIGYHNZKBG-MNOVXSKESA-N 2 1 229.327 2.773 10 0 BFAEMP CC(C)[NH2+]C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482210 167110322 /nfs/dbraw/zinc/11/03/22/167110322.db2.gz DRXXJLWCXMKKFD-QLFBSQMISA-N 2 1 238.419 2.885 10 0 BFAEMP CC(C)[NH2+]C[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482210 167110325 /nfs/dbraw/zinc/11/03/25/167110325.db2.gz DRXXJLWCXMKKFD-QLFBSQMISA-N 2 1 238.419 2.885 10 0 BFAEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000071250449 167369056 /nfs/dbraw/zinc/36/90/56/167369056.db2.gz RZLGWTXLJAEZLD-LLVKDONJSA-N 2 1 238.350 2.761 10 0 BFAEMP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)CC(C)(C)C1 ZINC000655755140 411185969 /nfs/dbraw/zinc/18/59/69/411185969.db2.gz QSMSLWOCLSDNCK-KBPBESRZSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000304362915 411360904 /nfs/dbraw/zinc/36/09/04/411360904.db2.gz YWASRZWMGFHSGW-STQMWFEESA-N 2 1 226.408 2.743 10 0 BFAEMP CC[N@@H+]1CC[C@H]([NH+](C)C2CCCC2)[C@H](C)C1 ZINC000120103212 170018134 /nfs/dbraw/zinc/01/81/34/170018134.db2.gz UVPHZKKETRGPHZ-OCCSQVGLSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH+](C)C2CCCC2)[C@H](C)C1 ZINC000120103212 170018136 /nfs/dbraw/zinc/01/81/36/170018136.db2.gz UVPHZKKETRGPHZ-OCCSQVGLSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH+]1CC[C@H]([N@H+](C)C2CCCC2)[C@H](C)C1 ZINC000120103212 170018137 /nfs/dbraw/zinc/01/81/37/170018137.db2.gz UVPHZKKETRGPHZ-OCCSQVGLSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH+]1CC[C@H]([N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC000120103212 170018139 /nfs/dbraw/zinc/01/81/39/170018139.db2.gz UVPHZKKETRGPHZ-OCCSQVGLSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH2+]C(C)(C)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061299707 170107418 /nfs/dbraw/zinc/10/74/18/170107418.db2.gz INONEGAKAOLZCQ-UONOGXRCSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)C ZINC000054628703 170109898 /nfs/dbraw/zinc/10/98/98/170109898.db2.gz WTKKEOJVSZABQZ-YHWZYXNKSA-N 2 1 224.392 2.637 10 0 BFAEMP CC[NH2+]C[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000053030882 170120060 /nfs/dbraw/zinc/12/00/60/170120060.db2.gz VNZHRFLZNCJGKE-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000053654049 170122987 /nfs/dbraw/zinc/12/29/87/170122987.db2.gz LHQZNSATCWPYDM-MRXNPFEDSA-N 2 1 246.398 2.817 10 0 BFAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)CC)c(C)o1 ZINC000052444286 170125226 /nfs/dbraw/zinc/12/52/26/170125226.db2.gz QRYKOTKCCXCCMX-LLVKDONJSA-N 2 1 238.375 2.928 10 0 BFAEMP CC[NH2+]Cc1cccc(C[N@@H+](CC)C2CC2)c1 ZINC000052451873 170128587 /nfs/dbraw/zinc/12/85/87/170128587.db2.gz MNSCJGYDXJCSRV-UHFFFAOYSA-N 2 1 232.371 2.780 10 0 BFAEMP CC[NH2+]Cc1cccc(C[N@H+]2CC[C@H](C)C2)c1 ZINC000052484354 170128628 /nfs/dbraw/zinc/12/86/28/170128628.db2.gz VRVKSHIGBSZPHE-ZDUSSCGKSA-N 2 1 232.371 2.638 10 0 BFAEMP CC[NH2+]Cc1ccoc1C[N@H+]1CCCC[C@H]1C ZINC000052378644 170128922 /nfs/dbraw/zinc/12/89/22/170128922.db2.gz CPXVXQWBVJZITC-GFCCVEGCSA-N 2 1 236.359 2.764 10 0 BFAEMP CC[NH2+]Cc1oc(C[N@H+]2CCC[C@@H]2C)cc1C ZINC000052376208 170131818 /nfs/dbraw/zinc/13/18/18/170131818.db2.gz HITDQNQNFMCLAH-LBPRGKRZSA-N 2 1 236.359 2.682 10 0 BFAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860438 170167253 /nfs/dbraw/zinc/16/72/53/170167253.db2.gz XUIBGGRSSRYAHN-XGUBFFRZSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)C1CC1 ZINC000054554863 170168854 /nfs/dbraw/zinc/16/88/54/170168854.db2.gz DBAYXYNLSWSJBL-QEJZJMRPSA-N 2 1 238.419 2.883 10 0 BFAEMP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)C1CC1 ZINC000054554863 170168855 /nfs/dbraw/zinc/16/88/55/170168855.db2.gz DBAYXYNLSWSJBL-QEJZJMRPSA-N 2 1 238.419 2.883 10 0 BFAEMP Cc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)o1 ZINC000314329190 411659070 /nfs/dbraw/zinc/65/90/70/411659070.db2.gz JZGNZTKEPNNCQN-LBPRGKRZSA-N 2 1 247.342 2.605 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CCC(C)C)C[C@H](C)C[NH2+]1 ZINC000049663258 171008482 /nfs/dbraw/zinc/00/84/82/171008482.db2.gz QHJZEQYIWXTZTP-ZIAGYGMSSA-N 2 1 226.408 2.743 10 0 BFAEMP CC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)CC[NH2+]1 ZINC000049661477 171011855 /nfs/dbraw/zinc/01/18/55/171011855.db2.gz JNUOHNKNDYYXCW-OAHLLOKOSA-N 2 1 232.371 2.569 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)CC[NH2+]1 ZINC000049661477 171011856 /nfs/dbraw/zinc/01/18/56/171011856.db2.gz JNUOHNKNDYYXCW-OAHLLOKOSA-N 2 1 232.371 2.569 10 0 BFAEMP CC[C@@]1(C[N@@H+](C)Cc2ccccc2C)CC[NH2+]C1 ZINC000062911524 171211323 /nfs/dbraw/zinc/21/13/23/171211323.db2.gz PEMKXSWMKURQRP-MRXNPFEDSA-N 2 1 246.398 2.817 10 0 BFAEMP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1C ZINC000032013798 171314335 /nfs/dbraw/zinc/31/43/35/171314335.db2.gz XWVOSSGQDJJWGX-ZDUSSCGKSA-N 2 1 220.360 2.554 10 0 BFAEMP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1C ZINC000032013798 171314337 /nfs/dbraw/zinc/31/43/37/171314337.db2.gz XWVOSSGQDJJWGX-ZDUSSCGKSA-N 2 1 220.360 2.554 10 0 BFAEMP CCc1[nH+]ccn1CC[NH2+][C@H](C)CCC(C)C ZINC000053541432 172026141 /nfs/dbraw/zinc/02/61/41/172026141.db2.gz CYUNDDWHYJSLBN-CYBMUJFWSA-N 2 1 237.391 2.860 10 0 BFAEMP CCc1[nH+]ccn1Cc1ccoc1C[NH2+]C(C)C ZINC000052592978 172027701 /nfs/dbraw/zinc/02/77/01/172027701.db2.gz UKCMRPYFZXPIRW-UHFFFAOYSA-N 2 1 247.342 2.585 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043046436 172028792 /nfs/dbraw/zinc/02/87/92/172028792.db2.gz IFQGTWLMTOHSLW-QMTHXVAHSA-N 2 1 247.317 2.521 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042967874 172029003 /nfs/dbraw/zinc/02/90/03/172029003.db2.gz XPLAUOKVYJGALV-WFASDCNBSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@H]1CCCCCC[C@H]1[NH3+] ZINC000042419746 172029196 /nfs/dbraw/zinc/02/91/96/172029196.db2.gz ZMRSSUUXVBWINK-NEPJUHHUSA-N 2 1 221.348 2.668 10 0 BFAEMP C[N@@H+](CC1CCC([NH3+])CC1)C1CCCCC1 ZINC000037482392 172654037 /nfs/dbraw/zinc/65/40/37/172654037.db2.gz YPNPTRJAYTWFHX-UHFFFAOYSA-N 2 1 224.392 2.768 10 0 BFAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)C ZINC000054601652 173323823 /nfs/dbraw/zinc/32/38/23/173323823.db2.gz KMLYDKSKFFEWCC-AGUYFDCRSA-N 2 1 224.392 2.637 10 0 BFAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)C ZINC000054601652 173323826 /nfs/dbraw/zinc/32/38/26/173323826.db2.gz KMLYDKSKFFEWCC-AGUYFDCRSA-N 2 1 224.392 2.637 10 0 BFAEMP C[NH2+]CC(C)(C)C[N@H+](C)Cc1cccc(F)c1 ZINC000051214206 173336634 /nfs/dbraw/zinc/33/66/34/173336634.db2.gz JRRNSAPUUBNTBS-UHFFFAOYSA-N 2 1 238.350 2.503 10 0 BFAEMP C[NH2+]CC(C)(C)C[N@@H+](C)Cc1cccc(F)c1 ZINC000051214206 173336635 /nfs/dbraw/zinc/33/66/35/173336635.db2.gz JRRNSAPUUBNTBS-UHFFFAOYSA-N 2 1 238.350 2.503 10 0 BFAEMP C[NH2+]CCC[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000052541438 173350796 /nfs/dbraw/zinc/35/07/96/173350796.db2.gz UYJKJHWIOXYNBB-LBPRGKRZSA-N 2 1 238.350 2.646 10 0 BFAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(C)c(C)c2)C1 ZINC000071142319 173382278 /nfs/dbraw/zinc/38/22/78/173382278.db2.gz VHGSTFZMNMBZHA-HUUCEWRRSA-N 2 1 246.398 2.906 10 0 BFAEMP C[NH2+]Cc1cc(C[N@@H+](C)CC(C)(C)C)c(C)o1 ZINC000052570198 173387046 /nfs/dbraw/zinc/38/70/46/173387046.db2.gz QIIGGDTUKRIGAK-UHFFFAOYSA-N 2 1 238.375 2.785 10 0 BFAEMP C[NH2+]Cc1oc(C[N@@H+](C)CCC(C)C)cc1C ZINC000052545993 173399439 /nfs/dbraw/zinc/39/94/39/173399439.db2.gz FQMHRNJFMRQNLA-UHFFFAOYSA-N 2 1 238.375 2.785 10 0 BFAEMP COc1ccc([C@@H](C)[NH3+])cc1C[N@H+]1CCC[C@@H]1C ZINC000037910702 175176394 /nfs/dbraw/zinc/17/63/94/175176394.db2.gz BGXYCGMTHLSBGY-NWDGAFQWSA-N 2 1 248.370 2.699 10 0 BFAEMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049713737 176015700 /nfs/dbraw/zinc/01/57/00/176015700.db2.gz RSHRRLRKXPRNCM-SUNKGSAMSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049713737 176015702 /nfs/dbraw/zinc/01/57/02/176015702.db2.gz RSHRRLRKXPRNCM-SUNKGSAMSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1CCCN1CCCCC1=[NH2+] ZINC000049583941 176071793 /nfs/dbraw/zinc/07/17/93/176071793.db2.gz ASZSAPJNFJOKJC-CYBMUJFWSA-N 2 1 237.391 2.714 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055015008 176074918 /nfs/dbraw/zinc/07/49/18/176074918.db2.gz MLPTVOIZOMULKB-HIFRSBDPSA-N 2 1 232.371 2.951 10 0 BFAEMP C[C@@H]1CCC[N@@H+](CC(C)(C)C[NH2+]C2CC2)[C@@H]1C ZINC000051249266 176096818 /nfs/dbraw/zinc/09/68/18/176096818.db2.gz WEXXZBMUUIEPBA-CHWSQXEVSA-N 2 1 238.419 2.885 10 0 BFAEMP C[C@@H]1CCC[C@H]([N@@H+](C)CC2(N)CCCC2)C1 ZINC000042495849 176140412 /nfs/dbraw/zinc/14/04/12/176140412.db2.gz SFPDRFLAAYEILJ-OLZOCXBDSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@@H]1CCC[C@H](N(C)CC2([NH3+])CCCC2)C1 ZINC000042495849 176140413 /nfs/dbraw/zinc/14/04/13/176140413.db2.gz SFPDRFLAAYEILJ-OLZOCXBDSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)[C@H](C)C1 ZINC000051732459 176173625 /nfs/dbraw/zinc/17/36/25/176173625.db2.gz QFRSTFQNKUHOPP-VXGBXAGGSA-N 2 1 245.370 2.591 10 0 BFAEMP C[C@@H]1C[NH2+]CCC[N@H+](C2CCCCCC2)C1 ZINC000049665844 176324627 /nfs/dbraw/zinc/32/46/27/176324627.db2.gz SUGZZASWVNWRRE-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CC1CCC1 ZINC000061486490 177082697 /nfs/dbraw/zinc/08/26/97/177082697.db2.gz SWSYTOMEKNDSNS-ZFWWWQNUSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CC1CCC1 ZINC000061486490 177082699 /nfs/dbraw/zinc/08/26/99/177082699.db2.gz SWSYTOMEKNDSNS-ZFWWWQNUSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CC1(C)CC[NH2+]CC1 ZINC000062841869 177087399 /nfs/dbraw/zinc/08/73/99/177087399.db2.gz LMTCDEUWEIIYOI-UONOGXRCSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccoc1C[NH3+] ZINC000052546712 177087571 /nfs/dbraw/zinc/08/75/71/177087571.db2.gz WRFAKEFUDJJVAN-WCQYABFASA-N 2 1 236.359 2.749 10 0 BFAEMP C[C@H]1CCC[N@H+]1Cc1occc1C[NH2+]C1CC1 ZINC000052375699 177110638 /nfs/dbraw/zinc/11/06/38/177110638.db2.gz XVHGMZVICMDNFC-NSHDSACASA-N 2 1 234.343 2.516 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC1CCC([NH3+])CC1 ZINC000037482404 177116435 /nfs/dbraw/zinc/11/64/35/177116435.db2.gz LSPVACRSSCXIHB-VTXSZYRJSA-N 2 1 224.392 2.767 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000019507192 177116662 /nfs/dbraw/zinc/11/66/62/177116662.db2.gz KJJKYOZUOFXPDS-TXEJJXNPSA-N 2 1 245.370 2.734 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccccc1C[NH3+] ZINC000022168746 177117306 /nfs/dbraw/zinc/11/73/06/177117306.db2.gz YKLGOIXNKXXNKX-BETUJISGSA-N 2 1 232.371 2.908 10 0 BFAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](C2CCCCC2)C1 ZINC000049665028 177157133 /nfs/dbraw/zinc/15/71/33/177157133.db2.gz NFRAWPKZJZEPQS-OLZOCXBDSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@@H](c1ccccc1)[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049664310 177285793 /nfs/dbraw/zinc/28/57/93/177285793.db2.gz DSZMQSMVWBQXQJ-ZNMIVQPWSA-N 2 1 246.398 2.925 10 0 BFAEMP C[C@@H]1CCCC[C@@H]1[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665308 177285804 /nfs/dbraw/zinc/28/58/04/177285804.db2.gz PDMQRKNUFNVTAE-BARDWOONSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049713736 177364782 /nfs/dbraw/zinc/36/47/82/177364782.db2.gz RSHRRLRKXPRNCM-COPLHBTASA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049713736 177364784 /nfs/dbraw/zinc/36/47/84/177364784.db2.gz RSHRRLRKXPRNCM-COPLHBTASA-N 2 1 236.334 2.698 10 0 BFAEMP CC[C@@H]1C[N@@H+](CC2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000251658926 487782814 /nfs/dbraw/zinc/78/28/14/487782814.db2.gz GXYDKNPIFZMQMD-NEXFUWMNSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000396647729 323435805 /nfs/dbraw/zinc/43/58/05/323435805.db2.gz CQBBIOUPQBORGK-YNEHKIRRSA-N 2 1 224.392 2.685 10 0 BFAEMP CCC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCC1 ZINC000396709976 323652977 /nfs/dbraw/zinc/65/29/77/323652977.db2.gz LQEXVBUBPXRTOI-UBHSHLNASA-N 2 1 224.392 2.685 10 0 BFAEMP CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396712164 323653741 /nfs/dbraw/zinc/65/37/41/323653741.db2.gz RJOBHUAVPVECEG-RWMBFGLXSA-N 2 1 212.381 2.541 10 0 BFAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)C1 ZINC000396695786 323654516 /nfs/dbraw/zinc/65/45/16/323654516.db2.gz JHPJYUJWVWKKAS-XGFWRYKXSA-N 2 1 224.392 2.541 10 0 BFAEMP C[C@@H]1C[C@H]([NH3+])[C@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238855982 525418884 /nfs/dbraw/zinc/41/88/84/525418884.db2.gz UKWBVZXKIFQVBE-OSFYFWSMSA-N 2 1 232.371 2.633 10 0 BFAEMP [NH3+]C[C@@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000301055131 527212632 /nfs/dbraw/zinc/21/26/32/527212632.db2.gz WDEPYOVOHZGLFB-SGNXQUTQSA-N 2 1 244.382 2.761 10 0 BFAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000261557716 535308422 /nfs/dbraw/zinc/30/84/22/535308422.db2.gz RVRXYHUYTIVMSJ-NWDGAFQWSA-N 2 1 248.361 2.775 10 0 BFAEMP CC[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000164423257 536094665 /nfs/dbraw/zinc/09/46/65/536094665.db2.gz RDDJMNYHPYIXGR-UONOGXRCSA-N 2 1 226.408 2.885 10 0 BFAEMP C[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227085734 536362212 /nfs/dbraw/zinc/36/22/12/536362212.db2.gz ZKRIFXXOYPZNRQ-QLFBSQMISA-N 2 1 238.419 2.887 10 0 BFAEMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227085734 536362217 /nfs/dbraw/zinc/36/22/17/536362217.db2.gz ZKRIFXXOYPZNRQ-QLFBSQMISA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757127984 582503491 /nfs/dbraw/zinc/50/34/91/582503491.db2.gz ILBDTSFFOUFXBO-UMVBOHGHSA-N 2 1 236.403 2.782 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@]12CCC[N@H+]2CCC1CCC1 ZINC000757129416 582503697 /nfs/dbraw/zinc/50/36/97/582503697.db2.gz LGKZCQLUWQUAMC-ZFWWWQNUSA-N 2 1 236.403 2.783 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757129858 582504237 /nfs/dbraw/zinc/50/42/37/582504237.db2.gz NBLUBLPWOUGPDM-DZGCQCFKSA-N 2 1 236.403 2.735 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757135274 586427226 /nfs/dbraw/zinc/42/72/26/586427226.db2.gz ZGVKGVINJVNHKC-JSGCOSHPSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@@H]1[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000757206372 586437230 /nfs/dbraw/zinc/43/72/30/586437230.db2.gz AASDIAJHRSNSPP-NILFDRSVSA-N 2 1 244.382 2.878 10 0 BFAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757208180 586437704 /nfs/dbraw/zinc/43/77/04/586437704.db2.gz CFTFRUVPICSANY-UGFHNGPFSA-N 2 1 244.382 2.736 10 0 BFAEMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000310443937 632742632 /nfs/dbraw/zinc/74/26/32/632742632.db2.gz QMOWWSOUEFFCMH-AWEZNQCLSA-N 2 1 234.387 2.547 10 0 BFAEMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000310443937 632742634 /nfs/dbraw/zinc/74/26/34/632742634.db2.gz QMOWWSOUEFFCMH-AWEZNQCLSA-N 2 1 234.387 2.547 10 0 BFAEMP C[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C(C)(C)C ZINC000715025898 712504008 /nfs/dbraw/zinc/50/40/08/712504008.db2.gz YNEPKCHQUZMAOK-MGPQQGTHSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C(C)(C)C ZINC000715025898 712504010 /nfs/dbraw/zinc/50/40/10/712504010.db2.gz YNEPKCHQUZMAOK-MGPQQGTHSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@H](C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709178904 712203437 /nfs/dbraw/zinc/20/34/37/712203437.db2.gz RKJPNLLNGRJTLA-XQQFMLRXSA-N 2 1 226.408 2.585 10 0 BFAEMP Cc1cccc(N2CCC(C(C)(C)C[NH3+])CC2)[nH+]1 ZINC000714485308 712491669 /nfs/dbraw/zinc/49/16/69/712491669.db2.gz HRWILFBWXQLHJY-UHFFFAOYSA-N 2 1 247.386 2.591 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC[C@H]2C ZINC000685954534 538899484 /nfs/dbraw/zinc/89/94/84/538899484.db2.gz NTFYYIIXNDEPSB-RFQIPJPRSA-N 2 1 224.392 2.624 10 0 BFAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C12CCCCCC2 ZINC000685955182 538900383 /nfs/dbraw/zinc/90/03/83/538900383.db2.gz VRGIURFVHJTQHP-LBPRGKRZSA-N 2 1 210.365 2.521 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCCCCC2 ZINC000685955387 538901387 /nfs/dbraw/zinc/90/13/87/538901387.db2.gz YVXXEPGZHDLYKE-GFCCVEGCSA-N 2 1 210.365 2.522 10 0 BFAEMP Cc1cc(NCCCC[NH3+])[nH+]c2ccccc12 ZINC000019721346 178159844 /nfs/dbraw/zinc/15/98/44/178159844.db2.gz BGVZEOLNVRCNJK-UHFFFAOYSA-N 2 1 229.327 2.694 10 0 BFAEMP Cc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc[nH+]1 ZINC000302586133 178182999 /nfs/dbraw/zinc/18/29/99/178182999.db2.gz UVHYAOPFVHHGQS-BXUZGUMPSA-N 2 1 233.359 2.531 10 0 BFAEMP CCC(CC)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601432 168376047 /nfs/dbraw/zinc/37/60/47/168376047.db2.gz UNLATACTVDDSAU-VGPLMAKISA-N 2 1 210.365 2.519 10 0 BFAEMP [NH3+]C[C@H]1CC[C@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000382457282 361942817 /nfs/dbraw/zinc/94/28/17/361942817.db2.gz RPGBYSONIWYHEC-AAEUAGOBSA-N 2 1 241.338 2.774 10 0 BFAEMP [NH3+]C[C@H]1CC[C@@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000382457288 361942963 /nfs/dbraw/zinc/94/29/63/361942963.db2.gz RPGBYSONIWYHEC-WCQYABFASA-N 2 1 241.338 2.774 10 0 BFAEMP CC[C@H](C)n1cc[nH+]c1[C@H]1CC[C@H]([NH3+])CC1 ZINC000584883631 343086587 /nfs/dbraw/zinc/08/65/87/343086587.db2.gz XNYNFXOEMZXWPW-SRVKXCTJSA-N 2 1 221.348 2.839 10 0 BFAEMP CC[C@H](C1CCCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000387616672 346948648 /nfs/dbraw/zinc/94/86/48/346948648.db2.gz PGNIYZDVTFFIGX-BPLDGKMQSA-N 2 1 238.419 2.872 10 0 BFAEMP CCC1(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000062850580 168467678 /nfs/dbraw/zinc/46/76/78/168467678.db2.gz IBXCNGDNHSDGBJ-OKILXGFUSA-N 2 1 238.419 2.744 10 0 BFAEMP Cc1cccc(C[N@@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)c1 ZINC000049666841 179080964 /nfs/dbraw/zinc/08/09/64/179080964.db2.gz SDLGIUUZUKNGPW-GASCZTMLSA-N 2 1 246.398 2.672 10 0 BFAEMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427379 179081290 /nfs/dbraw/zinc/08/12/90/179081290.db2.gz FIOZEQNAYRCAIX-DZGCQCFKSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1cccc(NCc2ccc3c(c2)C[NH2+]C3)[nH+]1 ZINC000097829652 179149738 /nfs/dbraw/zinc/14/97/38/179149738.db2.gz FNTKHDHLNDUKJT-UHFFFAOYSA-N 2 1 239.322 2.605 10 0 BFAEMP CCN(Cc1ccccc1)[C@@H](C[NH3+])C1CCC1 ZINC000149530513 347305936 /nfs/dbraw/zinc/30/59/36/347305936.db2.gz MPIMLWOHASGHLS-HNNXBMFYSA-N 2 1 232.371 2.636 10 0 BFAEMP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])C1CCC1 ZINC000149530513 347305939 /nfs/dbraw/zinc/30/59/39/347305939.db2.gz MPIMLWOHASGHLS-HNNXBMFYSA-N 2 1 232.371 2.636 10 0 BFAEMP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])C1CCC1 ZINC000149530513 347305941 /nfs/dbraw/zinc/30/59/41/347305941.db2.gz MPIMLWOHASGHLS-HNNXBMFYSA-N 2 1 232.371 2.636 10 0 BFAEMP Cc1ccccc1C[N@H+](CCC(N)=[NH2+])C(C)C ZINC000042529720 179271224 /nfs/dbraw/zinc/27/12/24/179271224.db2.gz PTSUBMYZZQDONZ-UHFFFAOYSA-N 2 1 233.359 2.531 10 0 BFAEMP Cc1ccccc1C[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666751 179275452 /nfs/dbraw/zinc/27/54/52/179275452.db2.gz AAVJGIVBNYAAKF-GASCZTMLSA-N 2 1 246.398 2.957 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+]1CC[C@H](C)C1 ZINC000043035992 179347828 /nfs/dbraw/zinc/34/78/28/179347828.db2.gz GHTKBWVHMZUQME-WHOFXGATSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+]1CC[C@H](C)C1 ZINC000043035992 179347829 /nfs/dbraw/zinc/34/78/29/179347829.db2.gz GHTKBWVHMZUQME-WHOFXGATSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104420622 179346490 /nfs/dbraw/zinc/34/64/90/179346490.db2.gz BJDRYJCNVGNFBM-YXWQFLTLSA-N 2 1 246.398 2.971 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104420622 179346492 /nfs/dbraw/zinc/34/64/92/179346492.db2.gz BJDRYJCNVGNFBM-YXWQFLTLSA-N 2 1 246.398 2.971 10 0 BFAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CCC1CCCCCC1 ZINC000394652150 349037573 /nfs/dbraw/zinc/03/75/73/349037573.db2.gz ZMVVTQULGRIXQA-GXTWGEPZSA-N 2 1 224.392 2.768 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C[NH2+]1 ZINC000219630975 350134521 /nfs/dbraw/zinc/13/45/21/350134521.db2.gz HEJXHUKSKYTQRB-GOEBONIOSA-N 2 1 246.398 2.897 10 0 BFAEMP C[C@H](C[NH2+]C1CC1)C[N@@H+](C)Cc1ccccc1 ZINC000052417422 350992061 /nfs/dbraw/zinc/99/20/61/350992061.db2.gz MYMISAURLNHQPL-CYBMUJFWSA-N 2 1 232.371 2.507 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000307158313 351509397 /nfs/dbraw/zinc/50/93/97/351509397.db2.gz APCZMORMBBMDBL-OWCLPIDISA-N 2 1 244.382 2.507 10 0 BFAEMP C[C@@H](CCC[NH3+])[N@@H+](Cc1ccccc1)C1CC1 ZINC000307392214 352568967 /nfs/dbraw/zinc/56/89/67/352568967.db2.gz YCZIZUOKMAMYMF-ZDUSSCGKSA-N 2 1 232.371 2.778 10 0 BFAEMP CC(C)C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000082344000 188270622 /nfs/dbraw/zinc/27/06/22/188270622.db2.gz MIWRBTJFMVQQHC-GJZGRUSLSA-N 2 1 232.371 2.634 10 0 BFAEMP CC(C)C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000082344000 188270623 /nfs/dbraw/zinc/27/06/23/188270623.db2.gz MIWRBTJFMVQQHC-GJZGRUSLSA-N 2 1 232.371 2.634 10 0 BFAEMP CC(C)C[C@H](C)[N@@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000042584041 188294103 /nfs/dbraw/zinc/29/41/03/188294103.db2.gz CDJNIHSXHNJPQG-LBPRGKRZSA-N 2 1 247.386 2.837 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](CC2CCCCC2)[C@@H](C)C1 ZINC000049710742 188298975 /nfs/dbraw/zinc/29/89/75/188298975.db2.gz URPUGKVVLVXPLK-GXTWGEPZSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)(C)c1c[nH]c([C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000070503417 188304656 /nfs/dbraw/zinc/30/46/56/188304656.db2.gz IOSFBDLKSOROKU-VHSXEESVSA-N 2 1 221.348 2.692 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073654169 188368258 /nfs/dbraw/zinc/36/82/58/188368258.db2.gz SPNCBOUPTILNOT-HUUCEWRRSA-N 2 1 238.419 2.983 10 0 BFAEMP CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000675055478 538475762 /nfs/dbraw/zinc/47/57/62/538475762.db2.gz UAWONBOMHYWVIG-CHWSQXEVSA-N 2 1 238.762 2.824 10 0 BFAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000675055478 538475764 /nfs/dbraw/zinc/47/57/64/538475764.db2.gz UAWONBOMHYWVIG-CHWSQXEVSA-N 2 1 238.762 2.824 10 0 BFAEMP CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000675055480 538475895 /nfs/dbraw/zinc/47/58/95/538475895.db2.gz UAWONBOMHYWVIG-OLZOCXBDSA-N 2 1 238.762 2.824 10 0 BFAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000675055480 538475898 /nfs/dbraw/zinc/47/58/98/538475898.db2.gz UAWONBOMHYWVIG-OLZOCXBDSA-N 2 1 238.762 2.824 10 0 BFAEMP CC[C@@H](C)n1cc[nH+]c1C1CCC([NH3+])CC1 ZINC000675061073 538486999 /nfs/dbraw/zinc/48/69/99/538486999.db2.gz XNYNFXOEMZXWPW-VOMCLLRMSA-N 2 1 221.348 2.839 10 0 BFAEMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396626277 358450380 /nfs/dbraw/zinc/45/03/80/358450380.db2.gz ITNPJGFZEDAXCL-IIAWOOMASA-N 2 1 246.398 2.738 10 0 BFAEMP [NH3+]C1CCC(C[N@@H+](Cc2ccco2)C2CC2)CC1 ZINC000042693336 181341773 /nfs/dbraw/zinc/34/17/73/181341773.db2.gz KYPZSPXZCZAORP-UHFFFAOYSA-N 2 1 248.370 2.762 10 0 BFAEMP Cc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)o1 ZINC000379764542 363890988 /nfs/dbraw/zinc/89/09/88/363890988.db2.gz GXLNAUVFCCNRSU-SCDSUCTJSA-N 2 1 236.359 2.566 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000252602086 363986458 /nfs/dbraw/zinc/98/64/58/363986458.db2.gz MVNXWIAOOBRPPZ-GZBFAFLISA-N 2 1 232.371 2.505 10 0 BFAEMP [NH3+]CCCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000049580714 181375527 /nfs/dbraw/zinc/37/55/27/181375527.db2.gz QODGFLXFKZRKBT-HNNXBMFYSA-N 2 1 232.371 2.953 10 0 BFAEMP CC[NH+](CC)C[C@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385136 541438601 /nfs/dbraw/zinc/43/86/01/541438601.db2.gz ZQHAYAAOWMEPSJ-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP CC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000381542116 367427973 /nfs/dbraw/zinc/42/79/73/367427973.db2.gz IKJNXKXOJYKKDC-QWHCGFSZSA-N 2 1 226.408 2.741 10 0 BFAEMP C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1C[NH3+] ZINC000631837200 369090208 /nfs/dbraw/zinc/09/02/08/369090208.db2.gz OMWZVWARNDIPFI-WFASDCNBSA-N 2 1 244.382 2.591 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]CC1(C)C ZINC000306566375 372037036 /nfs/dbraw/zinc/03/70/36/372037036.db2.gz ZLRSLXGSAZTYMF-AWEZNQCLSA-N 2 1 232.371 2.507 10 0 BFAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C2CC2)C1 ZINC000035732771 169198120 /nfs/dbraw/zinc/19/81/20/169198120.db2.gz XLUWSAUPXIBCAU-GUTXKFCHSA-N 2 1 238.419 2.885 10 0 BFAEMP CCC[NH2+][C@H](C)C[N@@H+]1CCCC[C@@H]1CC ZINC000044471889 169286053 /nfs/dbraw/zinc/28/60/53/169286053.db2.gz CGQOCXCFRRATRD-OLZOCXBDSA-N 2 1 212.381 2.639 10 0 BFAEMP CCC[NH2+][C@H](C)C[N@H+]1CCCC[C@@H]1CC ZINC000044471889 169286055 /nfs/dbraw/zinc/28/60/55/169286055.db2.gz CGQOCXCFRRATRD-OLZOCXBDSA-N 2 1 212.381 2.639 10 0 BFAEMP CCC[NH2+]Cc1ccoc1C[N@H+]1CCC[C@@H]1C ZINC000052375690 169267478 /nfs/dbraw/zinc/26/74/78/169267478.db2.gz CXJYEYNZGFLFNR-LBPRGKRZSA-N 2 1 236.359 2.764 10 0 BFAEMP CCC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC000049709073 169282399 /nfs/dbraw/zinc/28/23/99/169282399.db2.gz RBFDYLAROWNTTC-CHWSQXEVSA-N 2 1 224.392 2.782 10 0 BFAEMP c1ccc(C[N@@H+]2CC[C@@H](CC[NH2+]C3CC3)C2)cc1 ZINC000095079212 384355614 /nfs/dbraw/zinc/35/56/14/384355614.db2.gz HRSJXDFKZMONQZ-OAHLLOKOSA-N 2 1 244.382 2.651 10 0 BFAEMP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000095068313 384329516 /nfs/dbraw/zinc/32/95/16/384329516.db2.gz KYTWHDVLBNFCRS-OUAUKWLOSA-N 2 1 224.373 2.669 10 0 BFAEMP c1coc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)c1 ZINC000163038705 384722631 /nfs/dbraw/zinc/72/26/31/384722631.db2.gz WHISXOYLRJWXBD-AWEZNQCLSA-N 2 1 248.370 2.902 10 0 BFAEMP c1coc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)c1 ZINC000163038705 384722644 /nfs/dbraw/zinc/72/26/44/384722644.db2.gz WHISXOYLRJWXBD-AWEZNQCLSA-N 2 1 248.370 2.902 10 0 BFAEMP CC[NH2+]CCCNc1[nH+]ccc2ccccc21 ZINC000168715918 385383355 /nfs/dbraw/zinc/38/33/55/385383355.db2.gz RMRAPLMBWZZESH-UHFFFAOYSA-N 2 1 229.327 2.646 10 0 BFAEMP CC(C)CCC[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000309334578 385534983 /nfs/dbraw/zinc/53/49/83/385534983.db2.gz AHQMHMLWGAFRKV-ZIAGYGMSSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)CCC[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000309334578 385534989 /nfs/dbraw/zinc/53/49/89/385534989.db2.gz AHQMHMLWGAFRKV-ZIAGYGMSSA-N 2 1 226.408 2.741 10 0 BFAEMP CC[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000181120967 385564172 /nfs/dbraw/zinc/56/41/72/385564172.db2.gz VIGZLGZZVSPDSE-ZIAGYGMSSA-N 2 1 247.386 2.922 10 0 BFAEMP CC[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000181120967 385564177 /nfs/dbraw/zinc/56/41/77/385564177.db2.gz VIGZLGZZVSPDSE-ZIAGYGMSSA-N 2 1 247.386 2.922 10 0 BFAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000235460111 259673683 /nfs/dbraw/zinc/67/36/83/259673683.db2.gz KTKJVKZHPLPTNH-GRYCIOLGSA-N 2 1 212.381 2.528 10 0 BFAEMP CC(C)CC1([N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000536954953 387168181 /nfs/dbraw/zinc/16/81/81/387168181.db2.gz PEEDJHHBLFHQGU-AWEZNQCLSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)[C@H]1C ZINC000396699207 387484045 /nfs/dbraw/zinc/48/40/45/387484045.db2.gz KNBLUGDNCQOPRX-IKOXMDCHSA-N 2 1 224.392 2.541 10 0 BFAEMP [NH3+]C1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000168637145 387594810 /nfs/dbraw/zinc/59/48/10/387594810.db2.gz NLNJWIAXCPKTGO-UHFFFAOYSA-N 2 1 241.338 2.917 10 0 BFAEMP CC(C)C1([NH2+]CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000339509564 388484282 /nfs/dbraw/zinc/48/42/82/388484282.db2.gz SEFRGAYUTFJSQH-ZDUSSCGKSA-N 2 1 224.392 2.639 10 0 BFAEMP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1C ZINC000227191328 134374916 /nfs/dbraw/zinc/37/49/16/134374916.db2.gz MKMVTGXHDWTMMS-CZUORRHYSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1C ZINC000227191328 134374917 /nfs/dbraw/zinc/37/49/17/134374917.db2.gz MKMVTGXHDWTMMS-CZUORRHYSA-N 2 1 246.398 2.863 10 0 BFAEMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261565820 135207762 /nfs/dbraw/zinc/20/77/62/135207762.db2.gz YNXAVCFUGSLAQL-MCIONIFRSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261565818 135208192 /nfs/dbraw/zinc/20/81/92/135208192.db2.gz YNXAVCFUGSLAQL-HZSPNIEDSA-N 2 1 238.419 2.872 10 0 BFAEMP Cc1ccsc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261573102 135214741 /nfs/dbraw/zinc/21/47/41/135214741.db2.gz INPZLOVZIXZYQN-GFCCVEGCSA-N 2 1 238.400 2.616 10 0 BFAEMP C[C@@H](C[NH3+])Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000039076904 322890005 /nfs/dbraw/zinc/89/00/05/322890005.db2.gz DVZLCKWGOXAODS-QMMMGPOBSA-N 2 1 235.718 2.647 10 0 BFAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](CC1CC1)C(C)C ZINC000052345724 167006000 /nfs/dbraw/zinc/00/60/00/167006000.db2.gz SKNBETLMPXMMTG-AWEZNQCLSA-N 2 1 240.435 2.989 10 0 BFAEMP CC(C)C[NH2+]C[C@](C)(C[NH+](C)C)c1ccccc1 ZINC000051214435 167007561 /nfs/dbraw/zinc/00/75/61/167007561.db2.gz LAEKHGZGZJHRHE-MRXNPFEDSA-N 2 1 248.414 2.752 10 0 BFAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H]2C)o1 ZINC000052375743 167119262 /nfs/dbraw/zinc/11/92/62/167119262.db2.gz XGWBZSPQYYDIDJ-GFCCVEGCSA-N 2 1 236.359 2.762 10 0 BFAEMP CC(C)[C@@H](C[NH+](C)C)NC(=[NH2+])C1CCCCC1 ZINC000062992604 167394865 /nfs/dbraw/zinc/39/48/65/167394865.db2.gz RSDIITPOYJSMJQ-CYBMUJFWSA-N 2 1 239.407 2.720 10 0 BFAEMP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)CC(C)(C)C1 ZINC000655755141 411186101 /nfs/dbraw/zinc/18/61/01/411186101.db2.gz QSMSLWOCLSDNCK-KGLIPLIRSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C[C@@H](C)C1 ZINC000396728435 411240284 /nfs/dbraw/zinc/24/02/84/411240284.db2.gz XHYXVCFXNNETPD-VJTDZRGJSA-N 2 1 224.392 2.541 10 0 BFAEMP CCN(CC[NH3+])c1cc[nH+]c2cc(Cl)ccc21 ZINC000111374668 411167189 /nfs/dbraw/zinc/16/71/89/411167189.db2.gz ULOMQHFKFMBGTB-UHFFFAOYSA-N 2 1 249.745 2.673 10 0 BFAEMP CC1CCC([N@@H+](C)Cc2cc(C[NH3+])co2)CC1 ZINC000052345415 168160679 /nfs/dbraw/zinc/16/06/79/168160679.db2.gz RVHIDYQQMBXHJC-UHFFFAOYSA-N 2 1 236.359 2.749 10 0 BFAEMP CC[N@H+](CC[NH2+]C(C1CC1)C1CC1)CC(C)C ZINC000053375791 169843449 /nfs/dbraw/zinc/84/34/49/169843449.db2.gz CVBOYEZGPXKPOZ-UHFFFAOYSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[N@@H+](CC[NH2+]C(C1CC1)C1CC1)CC(C)C ZINC000053375791 169843450 /nfs/dbraw/zinc/84/34/50/169843450.db2.gz CVBOYEZGPXKPOZ-UHFFFAOYSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[N@@H+]1CC[C@@H]([NH+](C)C2CCCC2)[C@H](C)C1 ZINC000120103372 170009633 /nfs/dbraw/zinc/00/96/33/170009633.db2.gz UVPHZKKETRGPHZ-TZMCWYRMSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[N@H+]1CC[C@@H]([NH+](C)C2CCCC2)[C@H](C)C1 ZINC000120103372 170009635 /nfs/dbraw/zinc/00/96/35/170009635.db2.gz UVPHZKKETRGPHZ-TZMCWYRMSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH+]1CC[C@@H]([N@H+](C)C2CCCC2)[C@H](C)C1 ZINC000120103372 170009636 /nfs/dbraw/zinc/00/96/36/170009636.db2.gz UVPHZKKETRGPHZ-TZMCWYRMSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH+]1CC[C@@H]([N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC000120103372 170009638 /nfs/dbraw/zinc/00/96/38/170009638.db2.gz UVPHZKKETRGPHZ-TZMCWYRMSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C1CC1)C1CC1 ZINC000054629707 170109404 /nfs/dbraw/zinc/10/94/04/170109404.db2.gz QYQFOHAUARFHJD-GOOCMWNKSA-N 2 1 248.414 2.780 10 0 BFAEMP CC[NH2+]C[C@H](CC)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482220 170121986 /nfs/dbraw/zinc/12/19/86/170121986.db2.gz IQDAHEDMGIWYSN-ZNMIVQPWSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+]C[C@H](c1ccccc1)n1cc[nH+]c1CC ZINC000052593263 170122642 /nfs/dbraw/zinc/12/26/42/170122642.db2.gz SIRTVLWNFKJKPJ-CQSZACIVSA-N 2 1 243.354 2.644 10 0 BFAEMP CC[NH2+]Cc1cc(C[N@@H+](CC)C(C)C)c(C)o1 ZINC000052447043 170125634 /nfs/dbraw/zinc/12/56/34/170125634.db2.gz HJNKOZGZQXRNBI-UHFFFAOYSA-N 2 1 238.375 2.928 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC000049708901 170151440 /nfs/dbraw/zinc/15/14/40/170151440.db2.gz ZQSCPNIRAPXSTD-GDBMZVCRSA-N 2 1 246.398 2.957 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC000049708901 170151441 /nfs/dbraw/zinc/15/14/41/170151441.db2.gz ZQSCPNIRAPXSTD-GDBMZVCRSA-N 2 1 246.398 2.957 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC000049713007 170151972 /nfs/dbraw/zinc/15/19/72/170151972.db2.gz HTQFQRURFVVRRC-GDBMZVCRSA-N 2 1 246.398 2.957 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC000049713007 170151973 /nfs/dbraw/zinc/15/19/73/170151973.db2.gz HTQFQRURFVVRRC-GDBMZVCRSA-N 2 1 246.398 2.957 10 0 BFAEMP CC[NH2+][C@H]1CCCC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926673 170165800 /nfs/dbraw/zinc/16/58/00/170165800.db2.gz ZWMYKQROYPQZSS-STQMWFEESA-N 2 1 221.348 2.593 10 0 BFAEMP CC[NH2+][C@H]1CCC[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000053869335 170166738 /nfs/dbraw/zinc/16/67/38/170166738.db2.gz JAGAJSHGYLZKAU-CVEARBPZSA-N 2 1 244.382 2.780 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](C(C)(C)CC)[C@@H](C)C1 ZINC000049709158 170167261 /nfs/dbraw/zinc/16/72/61/170167261.db2.gz KSRQTBOKLHOSTC-RYUDHWBXSA-N 2 1 212.381 2.637 10 0 BFAEMP CC[C@@H]([NH3+])[C@H](c1cccs1)n1cc[nH+]c1C ZINC000043107040 170869030 /nfs/dbraw/zinc/86/90/30/170869030.db2.gz ZBMDIKBZTTUOKH-ZYHUDNBSSA-N 2 1 235.356 2.580 10 0 BFAEMP CC[C@@H](CC(F)F)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000662266521 412057437 /nfs/dbraw/zinc/05/74/37/412057437.db2.gz ICIXVXLQVCYBIC-NWDGAFQWSA-N 2 1 248.361 2.742 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H](C)C[NH2+]1 ZINC000049666007 171009489 /nfs/dbraw/zinc/00/94/89/171009489.db2.gz AUBLUUPSGAJCQF-UKRRQHHQSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CCC2CCCC2)CC[NH2+]1 ZINC000049662254 171011116 /nfs/dbraw/zinc/01/11/16/171011116.db2.gz FBFRMQLXJVFIJT-CQSZACIVSA-N 2 1 224.392 2.641 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000049664185 171012984 /nfs/dbraw/zinc/01/29/84/171012984.db2.gz KYEZNRZZPKEJHV-OAHLLOKOSA-N 2 1 232.371 2.651 10 0 BFAEMP CC[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000049666029 171014417 /nfs/dbraw/zinc/01/44/17/171014417.db2.gz XRZQWNVCKQPMGJ-UONOGXRCSA-N 2 1 226.408 2.885 10 0 BFAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H](n2c[nH+]c(C)c2C)C1 ZINC000051926075 171055793 /nfs/dbraw/zinc/05/57/93/171055793.db2.gz WDOPQXZNASQBHI-MGPQQGTHSA-N 2 1 235.375 2.826 10 0 BFAEMP CC[C@@]1(C[N@H+]2CCC[C@H](C)CC2)CCC[NH2+]C1 ZINC000104347650 171211676 /nfs/dbraw/zinc/21/16/76/171211676.db2.gz RXPVZGOMWBJCNY-LSDHHAIUSA-N 2 1 238.419 2.888 10 0 BFAEMP CC[C@H](C)[N@H+](CC[NH3+])Cc1cc(C)ccc1C ZINC000076617386 171313936 /nfs/dbraw/zinc/31/39/36/171313936.db2.gz CJVQCJFSVQTAJS-AWEZNQCLSA-N 2 1 234.387 2.863 10 0 BFAEMP CC[C@H](C)[N@@H+](CC[NH3+])Cc1cc(C)ccc1C ZINC000076617386 171313938 /nfs/dbraw/zinc/31/39/38/171313938.db2.gz CJVQCJFSVQTAJS-AWEZNQCLSA-N 2 1 234.387 2.863 10 0 BFAEMP CC[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000181120981 171320776 /nfs/dbraw/zinc/32/07/76/171320776.db2.gz VIGZLGZZVSPDSE-UONOGXRCSA-N 2 1 247.386 2.922 10 0 BFAEMP CC[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000181120981 171320777 /nfs/dbraw/zinc/32/07/77/171320777.db2.gz VIGZLGZZVSPDSE-UONOGXRCSA-N 2 1 247.386 2.922 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1cccs1)[C@@H]([NH3+])CC ZINC000043107497 172029124 /nfs/dbraw/zinc/02/91/24/172029124.db2.gz CHUVXPBOSSAIKC-GWCFXTLKSA-N 2 1 249.383 2.834 10 0 BFAEMP C[N@H+]1CCCC[C@H](C[NH3+])[C@H]1c1ccccc1F ZINC000082335402 173007630 /nfs/dbraw/zinc/00/76/30/173007630.db2.gz QWNBNTTZOQSATG-RISCZKNCSA-N 2 1 236.334 2.557 10 0 BFAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1CCCCC1 ZINC000049633301 173007750 /nfs/dbraw/zinc/00/77/50/173007750.db2.gz TWDPDUJZADGUAX-AWEZNQCLSA-N 2 1 224.392 2.783 10 0 BFAEMP CN(C(=[NH2+])C1CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000062987683 173043549 /nfs/dbraw/zinc/04/35/49/173043549.db2.gz NLAWUNUEFJVHKL-ZDUSSCGKSA-N 2 1 237.391 2.570 10 0 BFAEMP C[NH2+]CC1(C[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000051208782 173337583 /nfs/dbraw/zinc/33/75/83/173337583.db2.gz HPJLEFFIOZNVSL-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000052504329 173391327 /nfs/dbraw/zinc/39/13/27/173391327.db2.gz KOAKSURYJWUHJT-LLVKDONJSA-N 2 1 238.375 2.865 10 0 BFAEMP COc1ccc([C@@H](C)[NH3+])cc1C[N@H+]1CCC[C@H]1C ZINC000037910701 175176416 /nfs/dbraw/zinc/17/64/16/175176416.db2.gz BGXYCGMTHLSBGY-VXGBXAGGSA-N 2 1 248.370 2.699 10 0 BFAEMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC[NH2+]CCC1 ZINC000049667297 176015649 /nfs/dbraw/zinc/01/56/49/176015649.db2.gz TVINSTMHCAUFMP-LBPRGKRZSA-N 2 1 236.334 2.572 10 0 BFAEMP C[C@@H](c1cccc(F)c1)[NH+]1CCC[NH2+]CCC1 ZINC000049667516 176018204 /nfs/dbraw/zinc/01/82/04/176018204.db2.gz ZZRIPSWJIPDOKU-LBPRGKRZSA-N 2 1 236.334 2.572 10 0 BFAEMP C[C@@H](c1ccccc1F)[NH+]1CCC[NH2+]CCC1 ZINC000049667218 176025680 /nfs/dbraw/zinc/02/56/80/176025680.db2.gz DNSRDZRQYODGLB-LBPRGKRZSA-N 2 1 236.334 2.572 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037115948 176071904 /nfs/dbraw/zinc/07/19/04/176071904.db2.gz UKXKRYBHWCXACG-HIFRSBDPSA-N 2 1 232.371 2.951 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000019264377 176072977 /nfs/dbraw/zinc/07/29/77/176072977.db2.gz MVEOLZRCIOUBAP-LLVKDONJSA-N 2 1 236.334 2.659 10 0 BFAEMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C(C)(C)C ZINC000042302503 176115041 /nfs/dbraw/zinc/11/50/41/176115041.db2.gz KURLVOYIDRWHSV-VXGBXAGGSA-N 2 1 212.381 2.637 10 0 BFAEMP C[C@@H]1CC[N@@H+](CC2CCCCC2)CCC[NH2+]1 ZINC000049666061 176168251 /nfs/dbraw/zinc/16/82/51/176168251.db2.gz BBCGJURSAZMECQ-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@@H]1CC[N@@H+](CC2(C[NH3+])CCCC2)[C@H](C)C1 ZINC000051748511 176168502 /nfs/dbraw/zinc/16/85/02/176168502.db2.gz FPNFEOQEDISWAF-CHWSQXEVSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@@H]1CC[N@@H+](CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401773 176169462 /nfs/dbraw/zinc/16/94/62/176169462.db2.gz KMMKTEMWZNUILC-HIFRSBDPSA-N 2 1 232.371 2.808 10 0 BFAEMP C[C@H](c1ccccc1)[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000062615849 177039119 /nfs/dbraw/zinc/03/91/19/177039119.db2.gz KIEUHGIACHLULJ-CYBMUJFWSA-N 2 1 232.371 2.822 10 0 BFAEMP C[C@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)CC2CC2)C1 ZINC000037925343 177063677 /nfs/dbraw/zinc/06/36/77/177063677.db2.gz LVRPBWIBNHNQJW-WFASDCNBSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@H]1CCC[N@@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000019273873 177100003 /nfs/dbraw/zinc/10/00/03/177100003.db2.gz QUKUPNJEHXMGNN-NSHDSACASA-N 2 1 236.334 2.516 10 0 BFAEMP C[C@H]1CCC[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055022339 177104154 /nfs/dbraw/zinc/10/41/54/177104154.db2.gz WBVLRGQANXTGQY-JSGCOSHPSA-N 2 1 245.370 2.786 10 0 BFAEMP C[C@H]1CC[N@H+](C2(C)CCCCC2)CCC[NH2+]1 ZINC000045046677 177156846 /nfs/dbraw/zinc/15/68/46/177156846.db2.gz RTEYGXDEADWAGZ-ZDUSSCGKSA-N 2 1 224.392 2.783 10 0 BFAEMP C[C@@H]1CC[N@@H+](C2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000049665022 177157513 /nfs/dbraw/zinc/15/75/13/177157513.db2.gz MEBRLIDXNKXWCU-BETUJISGSA-N 2 1 224.392 2.782 10 0 BFAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000051729991 177163364 /nfs/dbraw/zinc/16/33/64/177163364.db2.gz KFBIMPJNTMHIDI-QWHCGFSZSA-N 2 1 232.371 2.766 10 0 BFAEMP C[C@H]1C[NH2+]CCC[N@@H+](CCC2CCCCC2)C1 ZINC000049666933 177281915 /nfs/dbraw/zinc/28/19/15/177281915.db2.gz HKWXWNPYUKZITA-AWEZNQCLSA-N 2 1 238.419 2.888 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000051206835 177313314 /nfs/dbraw/zinc/31/33/14/177313314.db2.gz DSWOXXXSUXMWKR-OKILXGFUSA-N 2 1 238.419 2.874 10 0 BFAEMP C[C@H]1C[C@H](C)C[NH+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053344514 177358409 /nfs/dbraw/zinc/35/84/09/177358409.db2.gz FUWMIRKPZMVACC-KBPBESRZSA-N 2 1 240.435 2.990 10 0 BFAEMP C[C@H]([NH3+])CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000082575788 487678612 /nfs/dbraw/zinc/67/86/12/487678612.db2.gz FEJZETLMLAFGIG-QMMMGPOBSA-N 2 1 235.718 2.647 10 0 BFAEMP C[N@@H+](CCC(C)(C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000406069675 487498833 /nfs/dbraw/zinc/49/88/33/487498833.db2.gz QQIKGOBKZSMEOK-AWEZNQCLSA-N 2 1 238.419 2.887 10 0 BFAEMP CCCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757123297 582498108 /nfs/dbraw/zinc/49/81/08/582498108.db2.gz ACXDYQKKBMQOMG-KBPBESRZSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@@H]1C[C@H]([NH3+])[C@@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238855980 525418413 /nfs/dbraw/zinc/41/84/13/525418413.db2.gz UKWBVZXKIFQVBE-COMQUAJESA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1[C@H](C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1[NH3+] ZINC000238856838 525696767 /nfs/dbraw/zinc/69/67/67/525696767.db2.gz XHQDHKBQLIGGBO-RGHULWKBSA-N 2 1 246.398 2.879 10 0 BFAEMP C[C@@H]1[C@H]([NH3+])C[C@H](C)[N@H+](Cc2ccccc2)[C@H]1C ZINC000247859921 525703207 /nfs/dbraw/zinc/70/32/07/525703207.db2.gz ZJJABKUGECYXQM-PWNZVWSESA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@H]1CCCC[N@H+]1CC[C@@H]([NH3+])c1ccccc1 ZINC000020071579 526250219 /nfs/dbraw/zinc/25/02/19/526250219.db2.gz UKXKRYBHWCXACG-DZGCQCFKSA-N 2 1 232.371 2.951 10 0 BFAEMP CCc1ccccc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261591642 535936775 /nfs/dbraw/zinc/93/67/75/535936775.db2.gz XXIDEYNPIHUASX-HNNXBMFYSA-N 2 1 246.398 2.808 10 0 BFAEMP C[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000251992910 536362262 /nfs/dbraw/zinc/36/22/62/536362262.db2.gz ZKRIFXXOYPZNRQ-RRFJBIMHSA-N 2 1 238.419 2.887 10 0 BFAEMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000251992910 536362264 /nfs/dbraw/zinc/36/22/64/536362264.db2.gz ZKRIFXXOYPZNRQ-RRFJBIMHSA-N 2 1 238.419 2.887 10 0 BFAEMP C[N@@H+](C1CCCCC1)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675052899 566412194 /nfs/dbraw/zinc/41/21/94/566412194.db2.gz BXYTUQCTSFCWET-TZMCWYRMSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H]1C[NH2+]C[C@@]2(CCC[N@H+]2CCC2CCC2)C1 ZINC000757126921 582501248 /nfs/dbraw/zinc/50/12/48/582501248.db2.gz HRRSUWBCXJKVMU-UKRRQHHQSA-N 2 1 236.403 2.641 10 0 BFAEMP C[C@@H](C1CCC1)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757127979 582503364 /nfs/dbraw/zinc/50/33/64/582503364.db2.gz ILBDTSFFOUFXBO-IPYPFGDCSA-N 2 1 236.403 2.782 10 0 BFAEMP C[C@H]([NH3+])CN(C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000111375686 711588126 /nfs/dbraw/zinc/58/81/26/711588126.db2.gz NYRWYHHQIDNBAC-VIFPVBQESA-N 2 1 249.745 2.672 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCC(CC)CC2 ZINC000685953993 538898510 /nfs/dbraw/zinc/89/85/10/538898510.db2.gz KEIKQAYBQUKYIC-ROKHWSDSSA-N 2 1 224.392 2.768 10 0 BFAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCCCCC2 ZINC000685955180 538900647 /nfs/dbraw/zinc/90/06/47/538900647.db2.gz VRGIURFVHJTQHP-GFCCVEGCSA-N 2 1 210.365 2.521 10 0 BFAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)CC[C@@H]2C ZINC000685955293 538900863 /nfs/dbraw/zinc/90/08/63/538900863.db2.gz XJQTYBFEUIBKIB-RQJABVFESA-N 2 1 224.392 2.623 10 0 BFAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12CCCC(C)(C)C2 ZINC000685952691 538896607 /nfs/dbraw/zinc/89/66/07/538896607.db2.gz CBXMIICWJNIQHQ-GXTWGEPZSA-N 2 1 224.392 2.767 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685952680 538896856 /nfs/dbraw/zinc/89/68/56/538896856.db2.gz BYJIOXRQMVALQH-RQJABVFESA-N 2 1 224.392 2.624 10 0 BFAEMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000093109959 398175853 /nfs/dbraw/zinc/17/58/53/398175853.db2.gz JQKAVKADJMKEHL-UONOGXRCSA-N 2 1 226.408 2.743 10 0 BFAEMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000093109959 398175856 /nfs/dbraw/zinc/17/58/56/398175856.db2.gz JQKAVKADJMKEHL-UONOGXRCSA-N 2 1 226.408 2.743 10 0 BFAEMP Cc1cc(F)ccc1[C@H](CN)[N@H+](C)CC(C)C ZINC000050578458 178092071 /nfs/dbraw/zinc/09/20/71/178092071.db2.gz SXNLFHCJPNAZRU-AWEZNQCLSA-N 2 1 238.350 2.722 10 0 BFAEMP Cc1cc(F)ccc1[C@H](C[NH3+])N(C)CC(C)C ZINC000050578458 178092074 /nfs/dbraw/zinc/09/20/74/178092074.db2.gz SXNLFHCJPNAZRU-AWEZNQCLSA-N 2 1 238.350 2.722 10 0 BFAEMP [NH3+]C[C@@H]1CC[C@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000382457291 361943024 /nfs/dbraw/zinc/94/30/24/361943024.db2.gz RPGBYSONIWYHEC-YPMHNXCESA-N 2 1 241.338 2.774 10 0 BFAEMP CC[N@@H+]1C[C@H](N[C@@H](C)c2ccsc2)[C@@H](C)C1 ZINC000381656293 539006103 /nfs/dbraw/zinc/00/61/03/539006103.db2.gz FIGWMCQYEIEZPB-GVXVVHGQSA-N 2 1 238.400 2.739 10 0 BFAEMP CC[NH2+]CCC[N@@H+](CC)Cc1ccccc1 ZINC000034086108 343264077 /nfs/dbraw/zinc/26/40/77/343264077.db2.gz BAUHSPKDHOJDJB-UHFFFAOYSA-N 2 1 220.360 2.508 10 0 BFAEMP CCCC[C@H](C[NH3+])Nc1cc[nH+]cc1Cl ZINC000087780263 343660749 /nfs/dbraw/zinc/66/07/49/343660749.db2.gz SRCUMBDAQOLTJO-SECBINFHSA-N 2 1 227.739 2.664 10 0 BFAEMP CC(C)[C@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000063019957 187273839 /nfs/dbraw/zinc/27/38/39/187273839.db2.gz DTVNYOJUIMLFSA-OAHLLOKOSA-N 2 1 232.371 2.679 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000226858495 534957250 /nfs/dbraw/zinc/95/72/50/534957250.db2.gz OIENUARUPLILPL-HOCLYGCPSA-N 2 1 246.398 2.897 10 0 BFAEMP C[C@H](CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000634998188 345197506 /nfs/dbraw/zinc/19/75/06/345197506.db2.gz BZPYPQUNPPUBBJ-IJEWVQPXSA-N 2 1 246.398 2.707 10 0 BFAEMP C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@H]1C[NH3+] ZINC000634999018 345199659 /nfs/dbraw/zinc/19/96/59/345199659.db2.gz OXEMMGOJBZQOGZ-BLLLJJGKSA-N 2 1 244.382 2.591 10 0 BFAEMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](C[NH3+])C2)[C@@H]1C ZINC000675054273 537894124 /nfs/dbraw/zinc/89/41/24/537894124.db2.gz QZVJSTJUIFHBGM-YIYPIFLZSA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)[C@@H]1C ZINC000675054268 537893311 /nfs/dbraw/zinc/89/33/11/537893311.db2.gz QZVJSTJUIFHBGM-AAVRWANBSA-N 2 1 224.392 2.624 10 0 BFAEMP CCCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171138954 187304240 /nfs/dbraw/zinc/30/42/40/187304240.db2.gz VQNQRXGFFCCUAY-ZDUSSCGKSA-N 2 1 233.359 2.616 10 0 BFAEMP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000053881031 179066311 /nfs/dbraw/zinc/06/63/11/179066311.db2.gz DSLPWEXLQZQVAO-GJZGRUSLSA-N 2 1 232.371 2.554 10 0 BFAEMP C[C@@H]1C[N@H+]([C@H]2CCCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000310092132 347228557 /nfs/dbraw/zinc/22/85/57/347228557.db2.gz RWRFESBNFKKMBT-VNHYZAJKSA-N 2 1 238.419 2.872 10 0 BFAEMP Cc1cccc([C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193598514 179194666 /nfs/dbraw/zinc/19/46/66/179194666.db2.gz ITFATMKLVXPUOW-CWRNSKLLSA-N 2 1 244.382 2.549 10 0 BFAEMP Cc1cccc([C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193598514 179194668 /nfs/dbraw/zinc/19/46/68/179194668.db2.gz ITFATMKLVXPUOW-CWRNSKLLSA-N 2 1 244.382 2.549 10 0 BFAEMP Cc1cccc([C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193598514 179194670 /nfs/dbraw/zinc/19/46/70/179194670.db2.gz ITFATMKLVXPUOW-CWRNSKLLSA-N 2 1 244.382 2.549 10 0 BFAEMP Cc1ccccc1C[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235337982 179273590 /nfs/dbraw/zinc/27/35/90/179273590.db2.gz RUHHKGNJAMKBTR-IUODEOHRSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235337982 179273592 /nfs/dbraw/zinc/27/35/92/179273592.db2.gz RUHHKGNJAMKBTR-IUODEOHRSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000043033548 179346547 /nfs/dbraw/zinc/34/65/47/179346547.db2.gz LINCIIWFZAGVKR-ZFWWWQNUSA-N 2 1 232.371 2.869 10 0 BFAEMP C[C@H]1C[NH2+][C@@H](C)CC[N@@H+](Cc2ccccc2)C1 ZINC000219631126 350134753 /nfs/dbraw/zinc/13/47/53/350134753.db2.gz GABDHTSDPPJYAT-KBPBESRZSA-N 2 1 232.371 2.507 10 0 BFAEMP Cc1[nH+]ccn1[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043016626 180272539 /nfs/dbraw/zinc/27/25/39/180272539.db2.gz WETSRCVPYXXPIM-RNCFNFMXSA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]ccn1[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042947348 180271710 /nfs/dbraw/zinc/27/17/10/180271710.db2.gz AXZNDGDADMEDRD-ZANVPECISA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]cn([C@@H]2CCCCC[C@H]2C[NH3+])c1C ZINC000051926069 180288872 /nfs/dbraw/zinc/28/88/72/180288872.db2.gz YYBOPPZWTKWTCC-QWHCGFSZSA-N 2 1 221.348 2.580 10 0 BFAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(C2CCCC2)c1 ZINC000725268127 538099374 /nfs/dbraw/zinc/09/93/74/538099374.db2.gz AFEXZBHBQXQGNQ-HOTGVXAUSA-N 2 1 244.382 2.748 10 0 BFAEMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396730383 323655479 /nfs/dbraw/zinc/65/54/79/323655479.db2.gz YCQXYBMAHCQITF-SYQHCUMBSA-N 2 1 224.392 2.685 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414933533 352340895 /nfs/dbraw/zinc/34/08/95/352340895.db2.gz AQPKBYLSXWAPDW-CYUUQNCZSA-N 2 1 236.403 2.685 10 0 BFAEMP CCCCC[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000037171736 168685694 /nfs/dbraw/zinc/68/56/94/168685694.db2.gz LAUQSRVQPYUZDZ-UHFFFAOYSA-N 2 1 233.359 2.593 10 0 BFAEMP CC(C)C[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019025 188289997 /nfs/dbraw/zinc/28/99/97/188289997.db2.gz VTJMULBZESFZKR-FFHGMXDLSA-N 2 1 238.419 2.883 10 0 BFAEMP CC[N@H+]1CCCC12CC[NH+](CC1CCC1)CC2 ZINC000096075205 188321187 /nfs/dbraw/zinc/32/11/87/188321187.db2.gz YKDBWDMEOHVNSU-UHFFFAOYSA-N 2 1 236.403 2.737 10 0 BFAEMP CC1(C)CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2)C1 ZINC000137329935 355771829 /nfs/dbraw/zinc/77/18/29/355771829.db2.gz VDAGBXWGHDYZND-AWEZNQCLSA-N 2 1 232.371 2.636 10 0 BFAEMP CC1(C)CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2)C1 ZINC000137329935 355771834 /nfs/dbraw/zinc/77/18/34/355771834.db2.gz VDAGBXWGHDYZND-AWEZNQCLSA-N 2 1 232.371 2.636 10 0 BFAEMP CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000675055484 538476116 /nfs/dbraw/zinc/47/61/16/538476116.db2.gz UAWONBOMHYWVIG-STQMWFEESA-N 2 1 238.762 2.824 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000675055484 538476120 /nfs/dbraw/zinc/47/61/20/538476120.db2.gz UAWONBOMHYWVIG-STQMWFEESA-N 2 1 238.762 2.824 10 0 BFAEMP CC(C)(C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564169 360256852 /nfs/dbraw/zinc/25/68/52/360256852.db2.gz BNOXOMPUBDSIEG-AWEZNQCLSA-N 2 1 238.419 2.983 10 0 BFAEMP CC(C)C[C@@H](C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000306570574 360453754 /nfs/dbraw/zinc/45/37/54/360453754.db2.gz ZAQDARPFRZQPJZ-UKRRQHHQSA-N 2 1 234.387 2.786 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000252602087 363986655 /nfs/dbraw/zinc/98/66/55/363986655.db2.gz MVNXWIAOOBRPPZ-UMVBOHGHSA-N 2 1 232.371 2.505 10 0 BFAEMP [NH3+]CC1(C[N@H+](Cc2ccco2)C2CC2)CCCC1 ZINC000051284053 181359143 /nfs/dbraw/zinc/35/91/43/181359143.db2.gz SIHZSTDPSVFAAA-UHFFFAOYSA-N 2 1 248.370 2.763 10 0 BFAEMP [NH3+]CC1(C[N@@H+](Cc2ccco2)C2CC2)CCCC1 ZINC000051284053 181359145 /nfs/dbraw/zinc/35/91/45/181359145.db2.gz SIHZSTDPSVFAAA-UHFFFAOYSA-N 2 1 248.370 2.763 10 0 BFAEMP c1ccc2c[n+](CC[NH+]3CCCCC3)ccc2c1 ZINC000575141531 365221189 /nfs/dbraw/zinc/22/11/89/365221189.db2.gz RTVUPIQLIFAWHL-UHFFFAOYSA-N 2 1 241.358 2.613 10 0 BFAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]C1CCCCCC1)C2 ZINC000328635057 371134118 /nfs/dbraw/zinc/13/41/18/371134118.db2.gz NCZFVPCNDHYAAT-ZDUSSCGKSA-N 2 1 247.386 2.758 10 0 BFAEMP CCC[N@H+](CC)[C@@H](c1cccc(F)c1)[C@@H](C)N ZINC000042971308 169131960 /nfs/dbraw/zinc/13/19/60/169131960.db2.gz MSCUIEGMWXGZNF-BXUZGUMPSA-N 2 1 238.350 2.946 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655921 169209087 /nfs/dbraw/zinc/20/90/87/169209087.db2.gz VAUFFIPHKXVWES-KBPBESRZSA-N 2 1 224.392 2.735 10 0 BFAEMP CCC[NH2+]C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037537144 169256245 /nfs/dbraw/zinc/25/62/45/169256245.db2.gz LCTAHKOZASSLTL-UHFFFAOYSA-N 2 1 246.398 2.959 10 0 BFAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](CC)CCOCC ZINC000104190914 169258527 /nfs/dbraw/zinc/25/85/27/169258527.db2.gz QFEJMVFQSSTKHB-AWEZNQCLSA-N 2 1 244.423 2.513 10 0 BFAEMP CCC[NH2+][C@H](C)C[N@H+](CCOC)C(CC)CC ZINC000043977241 169286076 /nfs/dbraw/zinc/28/60/76/169286076.db2.gz KSPFYIYFQMJJCK-CYBMUJFWSA-N 2 1 244.423 2.512 10 0 BFAEMP CCC[NH2+][C@H](C)C[N@@H+](CCOC)C(CC)CC ZINC000043977241 169286077 /nfs/dbraw/zinc/28/60/77/169286077.db2.gz KSPFYIYFQMJJCK-CYBMUJFWSA-N 2 1 244.423 2.512 10 0 BFAEMP CCC[NH2+]C[C@@](C)(CC)C[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104409514 169263265 /nfs/dbraw/zinc/26/32/65/169263265.db2.gz YYUQJSYKJZVJBX-SOUVJXGZSA-N 2 1 240.435 2.990 10 0 BFAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)CCC)oc1C ZINC000052444454 169265862 /nfs/dbraw/zinc/26/58/62/169265862.db2.gz WNLLYOXBGUACMW-UHFFFAOYSA-N 2 1 238.375 2.929 10 0 BFAEMP c1ccc(CC[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000040433283 183392622 /nfs/dbraw/zinc/39/26/22/183392622.db2.gz BJMUKRVNNCKIGW-UHFFFAOYSA-N 2 1 246.398 2.695 10 0 BFAEMP c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H]2CCC[NH2+]2)cc1 ZINC000096895235 183398973 /nfs/dbraw/zinc/39/89/73/183398973.db2.gz NDIHTTASYQLTEA-HOTGVXAUSA-N 2 1 244.382 2.793 10 0 BFAEMP c1ccc(C[N@@H+]2CC[C@H](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000096895230 183401841 /nfs/dbraw/zinc/40/18/41/183401841.db2.gz MVVQNGVKFKAGQI-CVEARBPZSA-N 2 1 244.382 2.651 10 0 BFAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C[C@@H]1C ZINC000049709048 169281563 /nfs/dbraw/zinc/28/15/63/169281563.db2.gz NALICZQFXQLFQR-GXTWGEPZSA-N 2 1 224.392 2.639 10 0 BFAEMP CCC[NH2+][C@H]1CC[N@H+](C2CCCC2)C[C@@H]1C ZINC000049709050 169291932 /nfs/dbraw/zinc/29/19/32/169291932.db2.gz NALICZQFXQLFQR-JSGCOSHPSA-N 2 1 224.392 2.639 10 0 BFAEMP CCC[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019113 169369503 /nfs/dbraw/zinc/36/95/03/169369503.db2.gz PTAIPMOTQJSJSO-RLAWYHOSSA-N 2 1 224.392 2.637 10 0 BFAEMP CCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000309459148 384235328 /nfs/dbraw/zinc/23/53/28/384235328.db2.gz NKBUEVKAGLFINY-GXTWGEPZSA-N 2 1 224.392 2.639 10 0 BFAEMP c1ccc2c(c1)cc[nH+]c2NCC1CC[NH2+]CC1 ZINC000168717567 385382920 /nfs/dbraw/zinc/38/29/20/385382920.db2.gz LCXNTMNSBASDME-UHFFFAOYSA-N 2 1 241.338 2.646 10 0 BFAEMP CCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000309459150 385590567 /nfs/dbraw/zinc/59/05/67/385590567.db2.gz NKBUEVKAGLFINY-JSGCOSHPSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396588717 386778157 /nfs/dbraw/zinc/77/81/57/386778157.db2.gz IWFBLIXCKFAGHU-FRRDWIJNSA-N 2 1 226.408 2.931 10 0 BFAEMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C ZINC000396699209 387483749 /nfs/dbraw/zinc/48/37/49/387483749.db2.gz KNBLUGDNCQOPRX-XGFWRYKXSA-N 2 1 224.392 2.541 10 0 BFAEMP CC1(C)SC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393858011 388443794 /nfs/dbraw/zinc/44/37/94/388443794.db2.gz WYGWLDPWSLIYIU-UPJWGTAASA-N 2 1 248.395 2.615 10 0 BFAEMP Cc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000310865040 388489486 /nfs/dbraw/zinc/48/94/86/388489486.db2.gz DLAAMJIRXSZHNH-IJEWVQPXSA-N 2 1 246.398 2.973 10 0 BFAEMP C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000335967921 134028971 /nfs/dbraw/zinc/02/89/71/134028971.db2.gz JSDWOQVPCMMEOU-KBPBESRZSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000335967921 134028972 /nfs/dbraw/zinc/02/89/72/134028972.db2.gz JSDWOQVPCMMEOU-KBPBESRZSA-N 2 1 236.403 2.735 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858849 134370581 /nfs/dbraw/zinc/37/05/81/134370581.db2.gz WNEWJZZFUPXPLD-UONOGXRCSA-N 2 1 226.408 2.743 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000227192229 134375135 /nfs/dbraw/zinc/37/51/35/134375135.db2.gz ALHSOBFTRINJJL-BARDWOONSA-N 2 1 236.403 2.782 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000227192229 134375136 /nfs/dbraw/zinc/37/51/36/134375136.db2.gz ALHSOBFTRINJJL-BARDWOONSA-N 2 1 236.403 2.782 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000250748167 135058085 /nfs/dbraw/zinc/05/80/85/135058085.db2.gz NCMIJNPZDFPKGO-DGCLKSJQSA-N 2 1 238.400 2.739 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000250748167 135058088 /nfs/dbraw/zinc/05/80/88/135058088.db2.gz NCMIJNPZDFPKGO-DGCLKSJQSA-N 2 1 238.400 2.739 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+](CC)CC)C1 ZINC000251611484 135072436 /nfs/dbraw/zinc/07/24/36/135072436.db2.gz LAHAWPGMGLQWNY-MCIONIFRSA-N 2 1 226.408 2.885 10 0 BFAEMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1C ZINC000261560316 135201406 /nfs/dbraw/zinc/20/14/06/135201406.db2.gz FGWWQTGMBMYWOQ-OAHLLOKOSA-N 2 1 246.398 2.863 10 0 BFAEMP C[C@@H](C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261568839 135210952 /nfs/dbraw/zinc/21/09/52/135210952.db2.gz JMCRWYANAIOYDP-ZFWWWQNUSA-N 2 1 246.398 2.849 10 0 BFAEMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261568838 135211772 /nfs/dbraw/zinc/21/17/72/135211772.db2.gz JMCRWYANAIOYDP-UKRRQHHQSA-N 2 1 246.398 2.849 10 0 BFAEMP Cc1ccsc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261573103 135215121 /nfs/dbraw/zinc/21/51/21/135215121.db2.gz INPZLOVZIXZYQN-LBPRGKRZSA-N 2 1 238.400 2.616 10 0 BFAEMP CC(C)C[NH2+]CCCCC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543884 167003340 /nfs/dbraw/zinc/00/33/40/167003340.db2.gz ISCUGAAJNFCYMD-LSDHHAIUSA-N 2 1 238.419 2.887 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000053649053 167114982 /nfs/dbraw/zinc/11/49/82/167114982.db2.gz ZSXDFRBXMOTWMS-CQSZACIVSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@@H]([NH3+])C[C@@H](C)Nc1[nH+]ccc2ccccc21 ZINC000228267384 487601629 /nfs/dbraw/zinc/60/16/29/487601629.db2.gz FVKQCIGYHNZKBG-GHMZBOCLSA-N 2 1 229.327 2.773 10 0 BFAEMP CC(C)[NH2+]CC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095088473 167108696 /nfs/dbraw/zinc/10/86/96/167108696.db2.gz SLGMAWQXTSQGFO-MRXNPFEDSA-N 2 1 246.398 2.897 10 0 BFAEMP CC(C)[NH2+][C@@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000050270737 167137061 /nfs/dbraw/zinc/13/70/61/167137061.db2.gz LBMCDAUGNPYZPN-YPMHNXCESA-N 2 1 212.381 2.528 10 0 BFAEMP CCC(C)(C)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049664990 168287590 /nfs/dbraw/zinc/28/75/90/168287590.db2.gz JSKUMFPFCSZXFU-TXEJJXNPSA-N 2 1 212.381 2.637 10 0 BFAEMP CC[NH2+]C1CC[NH+](CCc2cccc(C)c2)CC1 ZINC000051670320 170108461 /nfs/dbraw/zinc/10/84/61/170108461.db2.gz ZGRZKSJHZAYGMY-UHFFFAOYSA-N 2 1 246.398 2.611 10 0 BFAEMP CC[NH2+]CCC[N@@H+](Cc1ccccc1)C(C)C ZINC000042409383 170112445 /nfs/dbraw/zinc/11/24/45/170112445.db2.gz KSRYJUWUXASBKQ-UHFFFAOYSA-N 2 1 234.387 2.897 10 0 BFAEMP CC[NH2+]C[C@](C)(C[N@@H+](C)CC)c1ccccc1 ZINC000051214985 170123874 /nfs/dbraw/zinc/12/38/74/170123874.db2.gz YALSTTLNDSPFOF-OAHLLOKOSA-N 2 1 234.387 2.506 10 0 BFAEMP CC[NH2+]Cc1oc(C[N@@H+](C)[C@@H](C)CC)cc1C ZINC000052444345 170131887 /nfs/dbraw/zinc/13/18/87/170131887.db2.gz AXDLLOHVXUIJIZ-LBPRGKRZSA-N 2 1 238.375 2.928 10 0 BFAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1n1cc[nH+]c1C ZINC000043994165 170150838 /nfs/dbraw/zinc/15/08/38/170150838.db2.gz BPWXTEZRSQFTKU-OLZOCXBDSA-N 2 1 221.348 2.675 10 0 BFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@@H+](C)CC1CC1 ZINC000053870083 170150886 /nfs/dbraw/zinc/15/08/86/170150886.db2.gz AVFICXIWBNALKF-LSDHHAIUSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](C2CCC(CC)CC2)C1 ZINC000042580727 170152192 /nfs/dbraw/zinc/15/21/92/170152192.db2.gz NOIZOQGXDYJLBH-ROKHWSDSSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCC(CC)CC2)C1 ZINC000042580727 170152193 /nfs/dbraw/zinc/15/21/93/170152193.db2.gz NOIZOQGXDYJLBH-ROKHWSDSSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+][C@H]1CCC[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000053869339 170166852 /nfs/dbraw/zinc/16/68/52/170166852.db2.gz JAGAJSHGYLZKAU-HOTGVXAUSA-N 2 1 244.382 2.780 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC000049713008 170167694 /nfs/dbraw/zinc/16/76/94/170167694.db2.gz HTQFQRURFVVRRC-ZBFHGGJFSA-N 2 1 246.398 2.957 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC000049713008 170167697 /nfs/dbraw/zinc/16/76/97/170167697.db2.gz HTQFQRURFVVRRC-ZBFHGGJFSA-N 2 1 246.398 2.957 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](Cc2cccs2)C[C@@H]1C ZINC000049712684 170168120 /nfs/dbraw/zinc/16/81/20/170168120.db2.gz JXCYKXVQCCGBNY-AAEUAGOBSA-N 2 1 238.400 2.568 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2cccs2)C[C@@H]1C ZINC000049712684 170168122 /nfs/dbraw/zinc/16/81/22/170168122.db2.gz JXCYKXVQCCGBNY-AAEUAGOBSA-N 2 1 238.400 2.568 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2cccc(C)c2)C[C@@H]1C ZINC000049712998 170168340 /nfs/dbraw/zinc/16/83/40/170168340.db2.gz CIMRMVOJKNURFY-HOCLYGCPSA-N 2 1 246.398 2.815 10 0 BFAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@@H+](C)CC(C)C ZINC000053865786 170168812 /nfs/dbraw/zinc/16/88/12/170168812.db2.gz QZVNIKRUZZBBNN-ZNMIVQPWSA-N 2 1 240.435 2.989 10 0 BFAEMP CC[C@@H]1CC[N@H+](C2CCCC2)C[C@H](C)C[NH2+]1 ZINC000049664891 171009944 /nfs/dbraw/zinc/00/99/44/171009944.db2.gz DXOQOSUVVXPWPI-CHWSQXEVSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000053869993 171040257 /nfs/dbraw/zinc/04/02/57/171040257.db2.gz PBBOMSOPFMUFQX-VHDGCEQUSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104406842 171055669 /nfs/dbraw/zinc/05/56/69/171055669.db2.gz NEGJNHYUXLQWIJ-AICCOOGYSA-N 2 1 238.419 2.728 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000053869989 171056110 /nfs/dbraw/zinc/05/61/10/171056110.db2.gz PBBOMSOPFMUFQX-SNPRPXQTSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[C@@](C)(C[NH2+]C1CC1)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000051217608 171167283 /nfs/dbraw/zinc/16/72/83/171167283.db2.gz XNWKIPZUSUDGED-WFASDCNBSA-N 2 1 238.419 2.885 10 0 BFAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294709 412082122 /nfs/dbraw/zinc/08/21/22/412082122.db2.gz SDSXEFMNPDKVIE-UKRRQHHQSA-N 2 1 238.419 2.743 10 0 BFAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294708 412082286 /nfs/dbraw/zinc/08/22/86/412082286.db2.gz SDSXEFMNPDKVIE-HIFRSBDPSA-N 2 1 238.419 2.743 10 0 BFAEMP CCc1[nH+]ccn1CC[NH2+]Cc1sccc1C ZINC000053541327 172025381 /nfs/dbraw/zinc/02/53/81/172025381.db2.gz JXVOIQHXCIYXDW-UHFFFAOYSA-N 2 1 249.383 2.605 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043038038 172029212 /nfs/dbraw/zinc/02/92/12/172029212.db2.gz ONPUJBVZRWRMRJ-DOMZBBRYSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042910281 172029556 /nfs/dbraw/zinc/02/95/56/172029556.db2.gz VLPKPCMIIIXORN-IUODEOHRSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1cccs1)[C@H]([NH3+])CC ZINC000043107486 172029572 /nfs/dbraw/zinc/02/95/72/172029572.db2.gz CHUVXPBOSSAIKC-ZWNOBZJWSA-N 2 1 249.383 2.834 10 0 BFAEMP C[NH2+]Cc1ccoc1C[N@@H+](CC(C)C)C(C)C ZINC000052572548 173391491 /nfs/dbraw/zinc/39/14/91/173391491.db2.gz JMIAEIHVBQEMAL-UHFFFAOYSA-N 2 1 238.375 2.865 10 0 BFAEMP C[NH2+]Cc1oc(C[N@H+]2CCCC[C@H]2C)cc1C ZINC000052379143 173399422 /nfs/dbraw/zinc/39/94/22/173399422.db2.gz QFENOQUCMIWHEZ-GFCCVEGCSA-N 2 1 236.359 2.682 10 0 BFAEMP COc1ccc([C@@H](C)[NH3+])cc1C[N@@H+](C)C(C)C ZINC000037642142 175176329 /nfs/dbraw/zinc/17/63/29/175176329.db2.gz POPBHILPBBEJNJ-LLVKDONJSA-N 2 1 236.359 2.555 10 0 BFAEMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000049713735 176015514 /nfs/dbraw/zinc/01/55/14/176015514.db2.gz RSHRRLRKXPRNCM-UHIISALHSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000049713735 176015515 /nfs/dbraw/zinc/01/55/15/176015515.db2.gz RSHRRLRKXPRNCM-UHIISALHSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1ccccc1F)[N@@H+](C)CCCC(N)=[NH2+] ZINC000062014885 176025077 /nfs/dbraw/zinc/02/50/77/176025077.db2.gz DLVCEFCBPWEAEL-JTQLQIEISA-N 2 1 237.322 2.535 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952266 176072155 /nfs/dbraw/zinc/07/21/55/176072155.db2.gz OQGVWOCSXHELJI-KGLIPLIRSA-N 2 1 224.392 2.783 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000053861509 176073200 /nfs/dbraw/zinc/07/32/00/176073200.db2.gz SHZMGOOGBKOOAC-RDBSUJKOSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@@H]1CCC[N@@H+]1CC[C@H]([NH3+])c1cccc(F)c1 ZINC000053975636 176109012 /nfs/dbraw/zinc/10/90/12/176109012.db2.gz PILNRNLLDVKIAJ-RISCZKNCSA-N 2 1 236.334 2.700 10 0 BFAEMP C[C@@H]1CCC[N@H+]1CC[C@H]([NH3+])c1cccc(F)c1 ZINC000053975636 176109013 /nfs/dbraw/zinc/10/90/13/176109013.db2.gz PILNRNLLDVKIAJ-RISCZKNCSA-N 2 1 236.334 2.700 10 0 BFAEMP C[C@@H]1CCC[N@@H+]1[C@]1(C[NH3+])CCCc2ccccc21 ZINC000037910341 176111538 /nfs/dbraw/zinc/11/15/38/176111538.db2.gz FDTMWXJYZDUXIJ-CJNGLKHVSA-N 2 1 244.382 2.661 10 0 BFAEMP C[C@@H]1CCC[N@H+]1[C@]1(C[NH3+])CCCc2ccccc21 ZINC000037910341 176111540 /nfs/dbraw/zinc/11/15/40/176111540.db2.gz FDTMWXJYZDUXIJ-CJNGLKHVSA-N 2 1 244.382 2.661 10 0 BFAEMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH2+]C2CC2)[C@H](C)C1 ZINC000051748533 176169141 /nfs/dbraw/zinc/16/91/41/176169141.db2.gz GQYXHHVUFOXRHA-CHWSQXEVSA-N 2 1 238.419 2.885 10 0 BFAEMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000052484608 176174186 /nfs/dbraw/zinc/17/41/86/176174186.db2.gz GVPKOLHECSZYTD-CYBMUJFWSA-N 2 1 244.382 2.780 10 0 BFAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000053862887 176209337 /nfs/dbraw/zinc/20/93/37/176209337.db2.gz RZXGQHBRYWQBNN-VNQPRFMTSA-N 2 1 246.398 2.882 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000037116208 176229009 /nfs/dbraw/zinc/22/90/09/176229009.db2.gz SZOWQRCSACAHRQ-VHDGCEQUSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000037116208 176229010 /nfs/dbraw/zinc/22/90/10/176229010.db2.gz SZOWQRCSACAHRQ-VHDGCEQUSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CCC2CCCCC2)C1 ZINC000049666931 176324417 /nfs/dbraw/zinc/32/44/17/176324417.db2.gz HKWXWNPYUKZITA-CQSZACIVSA-N 2 1 238.419 2.888 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCCCCC1 ZINC000049710531 176372060 /nfs/dbraw/zinc/37/20/60/176372060.db2.gz FJLRFTXDJJRATC-NEPJUHHUSA-N 2 1 210.365 2.521 10 0 BFAEMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000019407523 177076431 /nfs/dbraw/zinc/07/64/31/177076431.db2.gz QKPRJLBZCJJFRK-NSHDSACASA-N 2 1 236.334 2.659 10 0 BFAEMP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000042900626 177079170 /nfs/dbraw/zinc/07/91/70/177079170.db2.gz PAUYDIIBCCTJPX-GZBFAFLISA-N 2 1 232.371 2.949 10 0 BFAEMP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000042900626 177079171 /nfs/dbraw/zinc/07/91/71/177079171.db2.gz PAUYDIIBCCTJPX-GZBFAFLISA-N 2 1 232.371 2.949 10 0 BFAEMP C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408411 177082515 /nfs/dbraw/zinc/08/25/15/177082515.db2.gz RPERLMYOWZZQEQ-YDHLFZDLSA-N 2 1 236.403 2.639 10 0 BFAEMP C[C@H]1CC[N@@H+](CC2(C[NH2+]C3CC3)CCCC2)C1 ZINC000051249953 177159172 /nfs/dbraw/zinc/15/91/72/177159172.db2.gz RKLNLZUCRAXDDA-ZDUSSCGKSA-N 2 1 236.403 2.641 10 0 BFAEMP C[C@H]1CC[N@@H+](CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401774 177160962 /nfs/dbraw/zinc/16/09/62/177160962.db2.gz KMMKTEMWZNUILC-ZFWWWQNUSA-N 2 1 232.371 2.808 10 0 BFAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049664199 177165585 /nfs/dbraw/zinc/16/55/85/177165585.db2.gz QRNDVXHKTCAXSI-OKILXGFUSA-N 2 1 232.371 2.649 10 0 BFAEMP C[C@H]1C[N@H+](C(C)(C)CC(C)(C)C)CC[C@@H]1[NH3+] ZINC000043435726 177232249 /nfs/dbraw/zinc/23/22/49/177232249.db2.gz ADGOZHBCRBUDEY-RYUDHWBXSA-N 2 1 226.408 2.870 10 0 BFAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694218 177327678 /nfs/dbraw/zinc/32/76/78/177327678.db2.gz WNZWNQXTGGXDPC-KORRQRHVSA-N 2 1 248.414 2.767 10 0 BFAEMP CC[C@H]1C[N@@H+](CC2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000251658928 487782673 /nfs/dbraw/zinc/78/26/73/487782673.db2.gz GXYDKNPIFZMQMD-PFSRBDOWSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@@H]1C[N@H+]([C@@H]2CCCC23CCC3)C[C@@]1(C)C[NH3+] ZINC000394758424 323107828 /nfs/dbraw/zinc/10/78/28/323107828.db2.gz ZSMVOYMQFSPUDF-MGPQQGTHSA-N 2 1 236.403 2.626 10 0 BFAEMP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043325736 323273169 /nfs/dbraw/zinc/27/31/69/323273169.db2.gz IFIXJIJVRSAVJD-HZSPNIEDSA-N 2 1 238.419 2.933 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000396647725 323435463 /nfs/dbraw/zinc/43/54/63/323435463.db2.gz CQBBIOUPQBORGK-XQQFMLRXSA-N 2 1 224.392 2.685 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000396710651 488000039 /nfs/dbraw/zinc/00/00/39/488000039.db2.gz PDLSIONCPZHBBX-AVGNSLFASA-N 2 1 224.392 2.685 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1CC[C@@H]([NH3+])c1ccccc1 ZINC000020071576 524111978 /nfs/dbraw/zinc/11/19/78/524111978.db2.gz UKXKRYBHWCXACG-UKRRQHHQSA-N 2 1 232.371 2.951 10 0 BFAEMP C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000247954487 525083710 /nfs/dbraw/zinc/08/37/10/525083710.db2.gz ZOZDGKPSUAGAMX-SGPHBRAGSA-N 2 1 246.398 2.879 10 0 BFAEMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238856323 525393444 /nfs/dbraw/zinc/39/34/44/525393444.db2.gz VLNSZQNRDVTFLY-COMQUAJESA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238856323 525393455 /nfs/dbraw/zinc/39/34/55/525393455.db2.gz VLNSZQNRDVTFLY-COMQUAJESA-N 2 1 232.371 2.633 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757131016 582505735 /nfs/dbraw/zinc/50/57/35/582505735.db2.gz OXAPGDDMHKQIDJ-TZMCWYRMSA-N 2 1 224.392 2.782 10 0 BFAEMP C[C@@H]1C[C@H](c2ccc(C3(C)CC3)cc2)[NH2+]C[C@@H]1[NH3+] ZINC000757213751 582561140 /nfs/dbraw/zinc/56/11/40/582561140.db2.gz LVWNZUBLAUZCSR-BYCMXARLSA-N 2 1 244.382 2.736 10 0 BFAEMP CCC[N@H+]1CCC[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757572986 586382668 /nfs/dbraw/zinc/38/26/68/586382668.db2.gz WBWKZESDPUCSON-OAHLLOKOSA-N 2 1 232.371 2.735 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757129062 586426247 /nfs/dbraw/zinc/42/62/47/586426247.db2.gz KRMQIKXXINFVDR-IHRRRGAJSA-N 2 1 224.392 2.782 10 0 BFAEMP CC(C)[N@H+]1CCC[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757572083 644851098 /nfs/dbraw/zinc/85/10/98/644851098.db2.gz NYWACMDLYGNPML-OAHLLOKOSA-N 2 1 232.371 2.733 10 0 BFAEMP CCC1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C(C)C ZINC000685952999 538896589 /nfs/dbraw/zinc/89/65/89/538896589.db2.gz FFWSVSIBGRUQKF-ROKHWSDSSA-N 2 1 224.392 2.767 10 0 BFAEMP CCC(CC)(C[NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000051212055 168323378 /nfs/dbraw/zinc/32/33/78/168323378.db2.gz HWBLCXWLVLGEOY-UHFFFAOYSA-N 2 1 234.387 2.884 10 0 BFAEMP Cc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc[nH+]1 ZINC000302586135 178190628 /nfs/dbraw/zinc/19/06/28/178190628.db2.gz UVHYAOPFVHHGQS-FZMZJTMJSA-N 2 1 233.359 2.531 10 0 BFAEMP Cc1cc([C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000049509040 178221569 /nfs/dbraw/zinc/22/15/69/178221569.db2.gz RBVFQYUMYQWYEU-ZYHUDNBSSA-N 2 1 238.400 2.707 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381480622 398259396 /nfs/dbraw/zinc/25/93/96/398259396.db2.gz AHIJFDPTHPEJMD-UTUOFQBUSA-N 2 1 246.345 2.624 10 0 BFAEMP CC1(C)C[NH2+]CC[C@@]1([NH3+])c1ccc(Cl)cc1 ZINC000118190039 343044836 /nfs/dbraw/zinc/04/48/36/343044836.db2.gz GERPGAMMZYVTMO-CYBMUJFWSA-N 2 1 238.762 2.514 10 0 BFAEMP CC1(C)C[NH2+]CC[C@]1([NH3+])c1ccc(Cl)cc1 ZINC000118190041 343044899 /nfs/dbraw/zinc/04/48/99/343044899.db2.gz GERPGAMMZYVTMO-ZDUSSCGKSA-N 2 1 238.762 2.514 10 0 BFAEMP CC[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224400993 344915706 /nfs/dbraw/zinc/91/57/06/344915706.db2.gz DCKBAZAOUYNTDR-DZGCQCFKSA-N 2 1 232.371 2.649 10 0 BFAEMP Cc1cccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000053859845 179066790 /nfs/dbraw/zinc/06/67/90/179066790.db2.gz KEZCQOLMLFWKRB-CVEARBPZSA-N 2 1 246.398 2.944 10 0 BFAEMP CCC[N@@H+](C)Cc1cc(Cl)cc(C[NH3+])c1 ZINC000669379700 537982755 /nfs/dbraw/zinc/98/27/55/537982755.db2.gz KBRPOFYHXLMTIJ-UHFFFAOYSA-N 2 1 226.751 2.641 10 0 BFAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CC[C@H](C)C2)c1 ZINC000042966807 179203367 /nfs/dbraw/zinc/20/33/67/179203367.db2.gz ZDNUGBYZIWRPSM-GUTXKFCHSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+]2CC[C@H](C)C2)c1 ZINC000042966807 179203369 /nfs/dbraw/zinc/20/33/69/179203369.db2.gz ZDNUGBYZIWRPSM-GUTXKFCHSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000053859355 179270508 /nfs/dbraw/zinc/27/05/08/179270508.db2.gz BQHBBXURGOWSDM-CVEARBPZSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1ccccc1C[N@H+]1CCC[C@@H]1CCC[NH3+] ZINC000104320968 179273401 /nfs/dbraw/zinc/27/34/01/179273401.db2.gz FJWCQFWCYASZDB-HNNXBMFYSA-N 2 1 232.371 2.698 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104420615 179347817 /nfs/dbraw/zinc/34/78/17/179347817.db2.gz BJDRYJCNVGNFBM-FQLMCAECSA-N 2 1 246.398 2.971 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104420615 179347818 /nfs/dbraw/zinc/34/78/18/179347818.db2.gz BJDRYJCNVGNFBM-FQLMCAECSA-N 2 1 246.398 2.971 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000043033541 179346475 /nfs/dbraw/zinc/34/64/75/179346475.db2.gz LINCIIWFZAGVKR-HIFRSBDPSA-N 2 1 232.371 2.869 10 0 BFAEMP Cc1[nH+]ccn1[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042947339 180271658 /nfs/dbraw/zinc/27/16/58/180271658.db2.gz AXZNDGDADMEDRD-NOZJJQNGSA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]ccn1[C@@H](C)C[NH2+]C1CCCCC1 ZINC000053500425 180271745 /nfs/dbraw/zinc/27/17/45/180271745.db2.gz GCLKUPJSZOLICA-NSHDSACASA-N 2 1 221.348 2.675 10 0 BFAEMP Cc1[nH+]cn([C@@H]2CCCCCC[C@H]2[NH3+])c1C ZINC000051926533 180288843 /nfs/dbraw/zinc/28/88/43/180288843.db2.gz GLYOYEHSTPIQNH-CHWSQXEVSA-N 2 1 221.348 2.723 10 0 BFAEMP Cc1[nH+]cn(CC[NH2+][C@@H](C)CCC(C)C)c1C ZINC000053535931 180287183 /nfs/dbraw/zinc/28/71/83/180287183.db2.gz ZIPXKTKAFFFJTD-LBPRGKRZSA-N 2 1 237.391 2.914 10 0 BFAEMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1ccco1 ZINC000163037942 350495892 /nfs/dbraw/zinc/49/58/92/350495892.db2.gz SPQGVUIXAAMLHJ-UONOGXRCSA-N 2 1 248.370 2.901 10 0 BFAEMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccco1 ZINC000163037942 350495896 /nfs/dbraw/zinc/49/58/96/350495896.db2.gz SPQGVUIXAAMLHJ-UONOGXRCSA-N 2 1 248.370 2.901 10 0 BFAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccco1 ZINC000163037942 350495899 /nfs/dbraw/zinc/49/58/99/350495899.db2.gz SPQGVUIXAAMLHJ-UONOGXRCSA-N 2 1 248.370 2.901 10 0 BFAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000163037942 350495903 /nfs/dbraw/zinc/49/59/03/350495903.db2.gz SPQGVUIXAAMLHJ-UONOGXRCSA-N 2 1 248.370 2.901 10 0 BFAEMP CC(C)(C)[N@@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616629238 351100273 /nfs/dbraw/zinc/10/02/73/351100273.db2.gz UPAIZRBJAUYNST-GFCCVEGCSA-N 2 1 247.386 2.862 10 0 BFAEMP CC(C)(C)[N@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616629238 351100276 /nfs/dbraw/zinc/10/02/76/351100276.db2.gz UPAIZRBJAUYNST-GFCCVEGCSA-N 2 1 247.386 2.862 10 0 BFAEMP CCc1ccc([C@@H](CC)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022098015 188109412 /nfs/dbraw/zinc/10/94/12/188109412.db2.gz RUDSHZAIRGBZMJ-MRXNPFEDSA-N 2 1 246.398 2.995 10 0 BFAEMP CC(C)C[C@H](C)[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042584046 188120261 /nfs/dbraw/zinc/12/02/61/188120261.db2.gz GKVUADUFCVBQFB-LBPRGKRZSA-N 2 1 247.386 2.837 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710738 188125725 /nfs/dbraw/zinc/12/57/25/188125725.db2.gz URPUGKVVLVXPLK-TZMCWYRMSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[C@H]1CC[C@H](CC[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000584652402 358307520 /nfs/dbraw/zinc/30/75/20/358307520.db2.gz JOLHHPBOZQCLKE-LSDHHAIUSA-N 2 1 238.419 2.983 10 0 BFAEMP CC[C@@H]1CC[C@@H](CC[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000584652389 358307737 /nfs/dbraw/zinc/30/77/37/358307737.db2.gz JOLHHPBOZQCLKE-CABCVRRESA-N 2 1 238.419 2.983 10 0 BFAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2ccccc21 ZINC000040749083 181345395 /nfs/dbraw/zinc/34/53/95/181345395.db2.gz XGAPODSQPJDDHI-HUORLRHWSA-N 2 1 242.366 2.628 10 0 BFAEMP [NH3+]CCC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000082343866 181385289 /nfs/dbraw/zinc/38/52/89/181385289.db2.gz DYOLSWARDAFROU-OAHLLOKOSA-N 2 1 232.371 2.780 10 0 BFAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CCCc1ccccc1 ZINC000104319670 181385906 /nfs/dbraw/zinc/38/59/06/181385906.db2.gz ILTVDYYBACBMMM-MRXNPFEDSA-N 2 1 246.398 2.823 10 0 BFAEMP C[C@@H]1C[N@H+]([C@@H]2CCCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000310092131 370297375 /nfs/dbraw/zinc/29/73/75/370297375.db2.gz RWRFESBNFKKMBT-UMVBOHGHSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C[NH3+] ZINC000631836979 372625077 /nfs/dbraw/zinc/62/50/77/372625077.db2.gz KXFDQYXSAQEBNU-LRDDRELGSA-N 2 1 244.382 2.591 10 0 BFAEMP CC[NH2+][C@@H](C)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000061274965 170138635 /nfs/dbraw/zinc/13/86/35/170138635.db2.gz IOPYUHZWNTXEOU-AWEZNQCLSA-N 2 1 234.387 2.815 10 0 BFAEMP CCC[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054559755 169079069 /nfs/dbraw/zinc/07/90/69/169079069.db2.gz HMRAXKUAVISOPQ-ILXRZTDVSA-N 2 1 240.435 2.989 10 0 BFAEMP CCC[N@@H+](CC)[C@H](CN)c1ccc(CC)cc1 ZINC000037094658 169131793 /nfs/dbraw/zinc/13/17/93/169131793.db2.gz MGPZXBQJCSPYJF-OAHLLOKOSA-N 2 1 234.387 2.981 10 0 BFAEMP CCC[N@@H+](C[C@@H](C[NH3+])c1ccccc1)CC1CC1 ZINC000035731461 169138712 /nfs/dbraw/zinc/13/87/12/169138712.db2.gz ZCXNOYOMZKQLNC-MRXNPFEDSA-N 2 1 246.398 2.851 10 0 BFAEMP CCC[NH2+]CCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000042409429 169256684 /nfs/dbraw/zinc/25/66/84/169256684.db2.gz YIRPQAFEVVKLQT-UHFFFAOYSA-N 2 1 234.387 2.817 10 0 BFAEMP CCC[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000019913271 169257584 /nfs/dbraw/zinc/25/75/84/169257584.db2.gz PKDQVNLQAQVFDO-UHFFFAOYSA-N 2 1 220.360 2.508 10 0 BFAEMP CCC[NH2+][C@H](C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900083 169286041 /nfs/dbraw/zinc/28/60/41/169286041.db2.gz MUYHAMZKSVJTCV-QLFBSQMISA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[NH2+][C@H](C)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900083 169286044 /nfs/dbraw/zinc/28/60/44/169286044.db2.gz MUYHAMZKSVJTCV-QLFBSQMISA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000082646687 169286695 /nfs/dbraw/zinc/28/66/95/169286695.db2.gz RDANJHDVDQPYMF-KGLIPLIRSA-N 2 1 226.408 2.743 10 0 BFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926737 169282014 /nfs/dbraw/zinc/28/20/14/169282014.db2.gz YGKLZROAAMQCFA-OLZOCXBDSA-N 2 1 221.348 2.593 10 0 BFAEMP CCC[NH2+][C@H]1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC000049709074 169291872 /nfs/dbraw/zinc/29/18/72/169291872.db2.gz RBFDYLAROWNTTC-OLZOCXBDSA-N 2 1 224.392 2.782 10 0 BFAEMP CCC[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C ZINC000049710673 169292147 /nfs/dbraw/zinc/29/21/47/169292147.db2.gz HYKRTIHJLXRSQA-ZFWWWQNUSA-N 2 1 238.419 2.887 10 0 BFAEMP C[NH+](C)CC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095074251 384350035 /nfs/dbraw/zinc/35/00/35/384350035.db2.gz IOAMZHOLUQIING-MRXNPFEDSA-N 2 1 246.398 2.850 10 0 BFAEMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000309561364 385691254 /nfs/dbraw/zinc/69/12/54/385691254.db2.gz LEAPASKXVNDMCK-UPJWGTAASA-N 2 1 226.408 2.883 10 0 BFAEMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000309561364 385691259 /nfs/dbraw/zinc/69/12/59/385691259.db2.gz LEAPASKXVNDMCK-UPJWGTAASA-N 2 1 226.408 2.883 10 0 BFAEMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000309561365 385692335 /nfs/dbraw/zinc/69/23/35/385692335.db2.gz LEAPASKXVNDMCK-XQQFMLRXSA-N 2 1 226.408 2.883 10 0 BFAEMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000309561365 385692342 /nfs/dbraw/zinc/69/23/42/385692342.db2.gz LEAPASKXVNDMCK-XQQFMLRXSA-N 2 1 226.408 2.883 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423363617 387214858 /nfs/dbraw/zinc/21/48/58/387214858.db2.gz ARGRGVWWBLZPJX-GLQYFDAESA-N 2 1 236.403 2.685 10 0 BFAEMP CC(C)CC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396712161 387484743 /nfs/dbraw/zinc/48/47/43/387484743.db2.gz RJOBHUAVPVECEG-AVGNSLFASA-N 2 1 212.381 2.541 10 0 BFAEMP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCCC1 ZINC000396715930 387487967 /nfs/dbraw/zinc/48/79/67/387487967.db2.gz OHCQAZMRMGSULA-XBFCOCLRSA-N 2 1 224.392 2.685 10 0 BFAEMP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193615547 387859699 /nfs/dbraw/zinc/85/96/99/387859699.db2.gz JGTYDIHBRVBCEV-KFWWJZLASA-N 2 1 244.382 2.549 10 0 BFAEMP Cc1ccccc1[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193615547 387859701 /nfs/dbraw/zinc/85/97/01/387859701.db2.gz JGTYDIHBRVBCEV-KFWWJZLASA-N 2 1 244.382 2.549 10 0 BFAEMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575519180 388355888 /nfs/dbraw/zinc/35/58/88/388355888.db2.gz DHYPIPXNBQPDQY-UMVBOHGHSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575519180 388355890 /nfs/dbraw/zinc/35/58/90/388355890.db2.gz DHYPIPXNBQPDQY-UMVBOHGHSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1C[C@H]1C ZINC000322221619 388394958 /nfs/dbraw/zinc/39/49/58/388394958.db2.gz XGNGFDQVMVHPKV-TYMQMGKBSA-N 2 1 236.403 2.636 10 0 BFAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1C[C@H]1C ZINC000322221619 388394959 /nfs/dbraw/zinc/39/49/59/388394959.db2.gz XGNGFDQVMVHPKV-TYMQMGKBSA-N 2 1 236.403 2.636 10 0 BFAEMP CC1(C)SC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393858007 388443717 /nfs/dbraw/zinc/44/37/17/388443717.db2.gz WYGWLDPWSLIYIU-AGIUHOORSA-N 2 1 248.395 2.615 10 0 BFAEMP CC1(C)SC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393858015 388443904 /nfs/dbraw/zinc/44/39/04/388443904.db2.gz WYGWLDPWSLIYIU-XQQFMLRXSA-N 2 1 248.395 2.615 10 0 BFAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000246158638 388619696 /nfs/dbraw/zinc/61/96/96/388619696.db2.gz DAFRETNCQUMLAF-CHWSQXEVSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000246158638 388619700 /nfs/dbraw/zinc/61/97/00/388619700.db2.gz DAFRETNCQUMLAF-CHWSQXEVSA-N 2 1 226.408 2.741 10 0 BFAEMP CC[NH+](CC)[C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 ZINC000226861320 134370235 /nfs/dbraw/zinc/37/02/35/134370235.db2.gz LWUAACCWAQBDEE-UONOGXRCSA-N 2 1 226.408 2.837 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226858791 134370380 /nfs/dbraw/zinc/37/03/80/134370380.db2.gz SPNCBOUPTILNOT-LSDHHAIUSA-N 2 1 238.419 2.983 10 0 BFAEMP Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1C ZINC000227191816 134375306 /nfs/dbraw/zinc/37/53/06/134375306.db2.gz LAIDEZPUVMTUMT-CZUORRHYSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1C ZINC000227191816 134375307 /nfs/dbraw/zinc/37/53/07/134375307.db2.gz LAIDEZPUVMTUMT-CZUORRHYSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000227191833 134375342 /nfs/dbraw/zinc/37/53/42/134375342.db2.gz DTTRWIOLMIQGBY-GDBMZVCRSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000227191833 134375343 /nfs/dbraw/zinc/37/53/43/134375343.db2.gz DTTRWIOLMIQGBY-GDBMZVCRSA-N 2 1 246.398 2.863 10 0 BFAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693669 135074724 /nfs/dbraw/zinc/07/47/24/135074724.db2.gz HIGOYBITTZSPDV-QPSCCSFWSA-N 2 1 238.419 2.872 10 0 BFAEMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000258646614 135133004 /nfs/dbraw/zinc/13/30/04/135133004.db2.gz DEDPAJCHMPQSAP-CQSZACIVSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](C)[NH3+])s1 ZINC000261566880 135208260 /nfs/dbraw/zinc/20/82/60/135208260.db2.gz DRKXFBJWCKEANS-MWLCHTKSSA-N 2 1 224.373 2.541 10 0 BFAEMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])s1 ZINC000261566880 135208261 /nfs/dbraw/zinc/20/82/61/135208261.db2.gz DRKXFBJWCKEANS-MWLCHTKSSA-N 2 1 224.373 2.541 10 0 BFAEMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262053637 135275695 /nfs/dbraw/zinc/27/56/95/135275695.db2.gz QLAZLZYMMIVHTQ-GJZGRUSLSA-N 2 1 238.419 2.887 10 0 BFAEMP CC(C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000052421143 167004899 /nfs/dbraw/zinc/00/48/99/167004899.db2.gz NPADBQHISCXPPX-AWEZNQCLSA-N 2 1 226.408 2.743 10 0 BFAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000052373248 167006153 /nfs/dbraw/zinc/00/61/53/167006153.db2.gz CKTZOVZSTKSEAH-RRFJBIMHSA-N 2 1 240.435 2.989 10 0 BFAEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000036786639 167367490 /nfs/dbraw/zinc/36/74/90/167367490.db2.gz ANZZVRWARWKLOV-LLVKDONJSA-N 2 1 238.350 2.761 10 0 BFAEMP CC(C)c1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1F ZINC000043046240 167694966 /nfs/dbraw/zinc/69/49/66/167694966.db2.gz JDOVVZOIKLEZBY-ZDUSSCGKSA-N 2 1 247.317 2.694 10 0 BFAEMP CC1CCC(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000063145755 411343147 /nfs/dbraw/zinc/34/31/47/411343147.db2.gz XSAGVPKPGGNXRG-YIOUJQMASA-N 2 1 224.392 2.624 10 0 BFAEMP CC1CCC([N@@H+](C)CC[C@H]2CCC[NH2+]2)CC1 ZINC000042488246 168158242 /nfs/dbraw/zinc/15/82/42/168158242.db2.gz NGTCSYDLGZKJDL-ROKHWSDSSA-N 2 1 224.392 2.639 10 0 BFAEMP CCC(C)(C)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601443 168288089 /nfs/dbraw/zinc/28/80/89/168288089.db2.gz ATCUZFLNMYBSFR-YOGCLGLASA-N 2 1 210.365 2.519 10 0 BFAEMP CCC(C)(C)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601443 168288090 /nfs/dbraw/zinc/28/80/90/168288090.db2.gz ATCUZFLNMYBSFR-YOGCLGLASA-N 2 1 210.365 2.519 10 0 BFAEMP CC[NH2+]C(C)(C)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061299708 170107201 /nfs/dbraw/zinc/10/72/01/170107201.db2.gz INONEGAKAOLZCQ-ZIAGYGMSSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC000054601426 170109512 /nfs/dbraw/zinc/10/95/12/170109512.db2.gz HAPCZCRSWHDSFN-AGUYFDCRSA-N 2 1 224.392 2.637 10 0 BFAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC000054601426 170109513 /nfs/dbraw/zinc/10/95/13/170109513.db2.gz HAPCZCRSWHDSFN-AGUYFDCRSA-N 2 1 224.392 2.637 10 0 BFAEMP CC[NH2+]CC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095091553 170117210 /nfs/dbraw/zinc/11/72/10/170117210.db2.gz SVLRXLRAGLWNMO-MRXNPFEDSA-N 2 1 246.398 2.898 10 0 BFAEMP CC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346135 170122193 /nfs/dbraw/zinc/12/21/93/170122193.db2.gz SWTPGRNVPFIYAV-LBPRGKRZSA-N 2 1 238.350 2.503 10 0 BFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@H]2C)c(C)o1 ZINC000052376113 170125328 /nfs/dbraw/zinc/12/53/28/170125328.db2.gz JUYIEURIMHRTEJ-LLVKDONJSA-N 2 1 236.359 2.682 10 0 BFAEMP CC[NH2+]Cc1ccoc1C[N@H+]1CCC[C@@H]1CC ZINC000052374954 170129191 /nfs/dbraw/zinc/12/91/91/170129191.db2.gz WSQKVMZBDWHODV-ZDUSSCGKSA-N 2 1 236.359 2.764 10 0 BFAEMP CC[NH2+][C@H](C)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000061274966 170156900 /nfs/dbraw/zinc/15/69/00/170156900.db2.gz IOPYUHZWNTXEOU-CQSZACIVSA-N 2 1 234.387 2.815 10 0 BFAEMP CC[NH2+][C@H](C)c1ccccc1-n1cc[nH+]c1C ZINC000034663909 170159955 /nfs/dbraw/zinc/15/99/55/170159955.db2.gz UEZVYVTXIUVLTL-LLVKDONJSA-N 2 1 229.327 2.851 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709196 170167117 /nfs/dbraw/zinc/16/71/17/170167117.db2.gz YZFSQMAXHQTNAB-OLZOCXBDSA-N 2 1 224.392 2.782 10 0 BFAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)CCC[NH2+]1 ZINC000049666630 171013349 /nfs/dbraw/zinc/01/33/49/171013349.db2.gz DEJAQKAXNMPHKX-DZGCQCFKSA-N 2 1 247.386 2.607 10 0 BFAEMP CC[C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)CCC[NH2+]1 ZINC000049666630 171013350 /nfs/dbraw/zinc/01/33/50/171013350.db2.gz DEJAQKAXNMPHKX-DZGCQCFKSA-N 2 1 247.386 2.607 10 0 BFAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104417729 171056326 /nfs/dbraw/zinc/05/63/26/171056326.db2.gz YYDIDRUTKDLJRG-VYDRJRHOSA-N 2 1 238.419 2.728 10 0 BFAEMP CC[C@H](C)C[N@@H+](C)Cc1cccc(C[NH2+]C)c1 ZINC000052453918 171274209 /nfs/dbraw/zinc/27/42/09/171274209.db2.gz WZAXVFQYFMAHIH-ZDUSSCGKSA-N 2 1 234.387 2.884 10 0 BFAEMP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccc(C)cc1C ZINC000076617391 171312857 /nfs/dbraw/zinc/31/28/57/171312857.db2.gz UWDBEINXRNCWDH-AWEZNQCLSA-N 2 1 234.387 2.863 10 0 BFAEMP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccc(C)cc1C ZINC000076617391 171312862 /nfs/dbraw/zinc/31/28/62/171312862.db2.gz UWDBEINXRNCWDH-AWEZNQCLSA-N 2 1 234.387 2.863 10 0 BFAEMP CCc1[nH+]ccn1CC[NH2+]CC1CCCCC1 ZINC000053541264 172025799 /nfs/dbraw/zinc/02/57/99/172025799.db2.gz AJUYJGMGPQMRDC-UHFFFAOYSA-N 2 1 235.375 2.615 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042910285 172029016 /nfs/dbraw/zinc/02/90/16/172029016.db2.gz VLPKPCMIIIXORN-DOMZBBRYSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042916013 172029102 /nfs/dbraw/zinc/02/91/02/172029102.db2.gz XSGHGBNHOUBEJE-IINYFYTJSA-N 2 1 247.317 2.521 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042916011 172029447 /nfs/dbraw/zinc/02/94/47/172029447.db2.gz XSGHGBNHOUBEJE-QMTHXVAHSA-N 2 1 247.317 2.521 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043046441 172029626 /nfs/dbraw/zinc/02/96/26/172029626.db2.gz IFQGTWLMTOHSLW-IINYFYTJSA-N 2 1 247.317 2.521 10 0 BFAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042947688 172029670 /nfs/dbraw/zinc/02/96/70/172029670.db2.gz AWMOETANLQVSDT-GFCCVEGCSA-N 2 1 249.745 2.647 10 0 BFAEMP CCc1[nH+]ccn1[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000042419626 172029687 /nfs/dbraw/zinc/02/96/87/172029687.db2.gz LENVRRVYZKFNMH-NWDGAFQWSA-N 2 1 221.348 2.526 10 0 BFAEMP C[N@H+]1CCC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC000044534343 173042770 /nfs/dbraw/zinc/04/27/70/173042770.db2.gz DQXFCADKABGVMQ-MRXNPFEDSA-N 2 1 246.398 2.551 10 0 BFAEMP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(C)cc2)CC1 ZINC000049557890 173324132 /nfs/dbraw/zinc/32/41/32/173324132.db2.gz QROLAIIJQDJYTE-CYBMUJFWSA-N 2 1 232.371 2.740 10 0 BFAEMP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(C)s2)CC1 ZINC000049183929 173324424 /nfs/dbraw/zinc/32/44/24/173324424.db2.gz TUMMWSCZKWTTJW-LLVKDONJSA-N 2 1 238.400 2.801 10 0 BFAEMP C[NH2+]CC[C@H](C)[N@@H+]1CCc2sccc2[C@H]1C ZINC000052505386 173358327 /nfs/dbraw/zinc/35/83/27/173358327.db2.gz JSSMCXRRVXCZTD-WDEREUQCSA-N 2 1 238.400 2.665 10 0 BFAEMP C[NH2+]CC[C@H](C)[N@H+]1CCc2sccc2[C@H]1C ZINC000052505386 173358329 /nfs/dbraw/zinc/35/83/29/173358329.db2.gz JSSMCXRRVXCZTD-WDEREUQCSA-N 2 1 238.400 2.665 10 0 BFAEMP C[NH2+]CC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095075964 173358966 /nfs/dbraw/zinc/35/89/66/173358966.db2.gz GXDDFTODYOACGW-OAHLLOKOSA-N 2 1 232.371 2.508 10 0 BFAEMP C[NH2+]C[C@H](C(C)C)[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482426 173373738 /nfs/dbraw/zinc/37/37/38/173373738.db2.gz XUQOUFKTGFKQHL-QLFBSQMISA-N 2 1 238.419 2.885 10 0 BFAEMP C[NH2+]C[C@H](C)[NH+]1CCC2(CCCCC2)CC1 ZINC000061822935 173375967 /nfs/dbraw/zinc/37/59/67/173375967.db2.gz HAHNTDFCAZLRBB-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP C[NH2+]Cc1coc(C[N@@H+](CC(C)C)C(C)C)c1 ZINC000052572615 173393525 /nfs/dbraw/zinc/39/35/25/173393525.db2.gz BTOCOUXEDOVBGN-UHFFFAOYSA-N 2 1 238.375 2.865 10 0 BFAEMP C[NH2+]Cc1occc1C[N@@H+](C)CC1CCCC1 ZINC000104363703 173399528 /nfs/dbraw/zinc/39/95/28/173399528.db2.gz XUAWLWMFGFYMIW-UHFFFAOYSA-N 2 1 236.359 2.621 10 0 BFAEMP C[C@@H](c1ccccc1)[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000062615847 176020658 /nfs/dbraw/zinc/02/06/58/176020658.db2.gz KIEUHGIACHLULJ-ZDUSSCGKSA-N 2 1 232.371 2.822 10 0 BFAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000049819834 176096325 /nfs/dbraw/zinc/09/63/25/176096325.db2.gz HNZCFEWMMIOGTO-CYBMUJFWSA-N 2 1 224.392 2.628 10 0 BFAEMP C[C@@H]1CCC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050952294 176097292 /nfs/dbraw/zinc/09/72/92/176097292.db2.gz KHNWNGKEWGPGAU-KGLIPLIRSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@@H]1CCC[N@@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000019273871 176099985 /nfs/dbraw/zinc/09/99/85/176099985.db2.gz QUKUPNJEHXMGNN-LLVKDONJSA-N 2 1 236.334 2.516 10 0 BFAEMP C[C@@H]1CCC[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1 ZINC000026741652 176134691 /nfs/dbraw/zinc/13/46/91/176134691.db2.gz LHSNIQNSBQTYIU-HUUCEWRRSA-N 2 1 238.419 2.840 10 0 BFAEMP C[C@@H]1CCC[C@H]([N@H+]2CCCNC(C)(C)C2)C1 ZINC000062611795 176140388 /nfs/dbraw/zinc/14/03/88/176140388.db2.gz FJQHSNXHZIQBRL-OLZOCXBDSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000051633934 176180982 /nfs/dbraw/zinc/18/09/82/176180982.db2.gz CRPMMMDPTLXSPB-CZUORRHYSA-N 2 1 244.382 2.748 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000034781418 176229260 /nfs/dbraw/zinc/22/92/60/176229260.db2.gz LTPYDUURZCTDIC-UHOFOFEASA-N 2 1 244.382 2.561 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000034781418 176229262 /nfs/dbraw/zinc/22/92/62/176229262.db2.gz LTPYDUURZCTDIC-UHOFOFEASA-N 2 1 244.382 2.561 10 0 BFAEMP C[C@@H]1C[N@H+](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH3+] ZINC000049694205 176280620 /nfs/dbraw/zinc/28/06/20/176280620.db2.gz DESKPCIAGUFNCR-OMBAJQCTSA-N 2 1 248.414 2.624 10 0 BFAEMP C[C@@H]1C[NH2+]CCC[N@H+](C2(C)CCCCC2)C1 ZINC000045046701 176324478 /nfs/dbraw/zinc/32/44/78/176324478.db2.gz YRJHIVLILCUTFV-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1CCC([NH3+])CC1 ZINC000050566812 177097557 /nfs/dbraw/zinc/09/75/57/177097557.db2.gz RRVFMDLYUOKPCJ-MRFVTOPCSA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000020071926 177099698 /nfs/dbraw/zinc/09/96/98/177099698.db2.gz GBWHWOBKRPPPBM-AJNGGQMLSA-N 2 1 236.403 2.639 10 0 BFAEMP C[C@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000020071926 177099699 /nfs/dbraw/zinc/09/96/99/177099699.db2.gz GBWHWOBKRPPPBM-AJNGGQMLSA-N 2 1 236.403 2.639 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000019509237 177116720 /nfs/dbraw/zinc/11/67/20/177116720.db2.gz SICWPDZXVVQOST-TXEJJXNPSA-N 2 1 245.370 2.734 10 0 BFAEMP C[C@H]1CCC[C@@H]([N@@H+](C)CC2(N)CCCC2)C1 ZINC000042495855 177120671 /nfs/dbraw/zinc/12/06/71/177120671.db2.gz SFPDRFLAAYEILJ-QWHCGFSZSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H]1CCC[C@@H](N(C)CC2([NH3+])CCCC2)C1 ZINC000042495855 177120673 /nfs/dbraw/zinc/12/06/73/177120673.db2.gz SFPDRFLAAYEILJ-QWHCGFSZSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H]1CCC[C@H](N(C)CC2([NH3+])CCCC2)C1 ZINC000042495851 177134315 /nfs/dbraw/zinc/13/43/15/177134315.db2.gz SFPDRFLAAYEILJ-STQMWFEESA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000051633936 177170353 /nfs/dbraw/zinc/17/03/53/177170353.db2.gz CRPMMMDPTLXSPB-XJKSGUPXSA-N 2 1 244.382 2.748 10 0 BFAEMP C[C@H]1C[NH2+]CCC[N@H+](C2CCCCCC2)C1 ZINC000049665845 177281893 /nfs/dbraw/zinc/28/18/93/177281893.db2.gz SUGZZASWVNWRRE-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@@H]1C[C@H](C)[C@@H]([NH3+])[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000068592913 177320261 /nfs/dbraw/zinc/32/02/61/177320261.db2.gz VLNSZQNRDVTFLY-KYEXWDHISA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1C[C@H](C)[C@@H]([NH3+])[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592913 177320262 /nfs/dbraw/zinc/32/02/62/177320262.db2.gz VLNSZQNRDVTFLY-KYEXWDHISA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCCCCCC1 ZINC000049707702 177327015 /nfs/dbraw/zinc/32/70/15/177327015.db2.gz BAOHBKTZUAJWCP-STQMWFEESA-N 2 1 224.392 2.911 10 0 BFAEMP C[N@H+](C[C@@H]1CCCCC1(F)F)C1(C[NH3+])CCC1 ZINC000385362150 487782868 /nfs/dbraw/zinc/78/28/68/487782868.db2.gz WFGZBSJDEKGYDT-NSHDSACASA-N 2 1 246.345 2.625 10 0 BFAEMP C[N@@H+](C[C@@H]1CCCCC1(F)F)C1(C[NH3+])CCC1 ZINC000385362150 487782873 /nfs/dbraw/zinc/78/28/73/487782873.db2.gz WFGZBSJDEKGYDT-NSHDSACASA-N 2 1 246.345 2.625 10 0 BFAEMP CC(C)CC[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757128322 582503328 /nfs/dbraw/zinc/50/33/28/582503328.db2.gz KLJCPSIQLQSELS-ZIAGYGMSSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000251457041 535824632 /nfs/dbraw/zinc/82/46/32/535824632.db2.gz ALHSOBFTRINJJL-CBBWQLFWSA-N 2 1 236.403 2.782 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000251457041 535824633 /nfs/dbraw/zinc/82/46/33/535824633.db2.gz ALHSOBFTRINJJL-CBBWQLFWSA-N 2 1 236.403 2.782 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@H]1C ZINC000242687948 519862133 /nfs/dbraw/zinc/86/21/33/519862133.db2.gz VAUFFIPHKXVWES-ZIAGYGMSSA-N 2 1 224.392 2.735 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@H]1C ZINC000252474308 519862511 /nfs/dbraw/zinc/86/25/11/519862511.db2.gz APBZMGNEBUOJKJ-VXGBXAGGSA-N 2 1 212.381 2.637 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH2+]CCC)C[C@H]1C ZINC000249884467 520597373 /nfs/dbraw/zinc/59/73/73/520597373.db2.gz PGZZLYMYRMVGRO-CHWSQXEVSA-N 2 1 212.381 2.639 10 0 BFAEMP CC(C)C[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226859102 535133567 /nfs/dbraw/zinc/13/35/67/535133567.db2.gz PWEIUIPUEISWCC-QWHCGFSZSA-N 2 1 226.408 2.741 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000251457042 535824692 /nfs/dbraw/zinc/82/46/92/535824692.db2.gz ALHSOBFTRINJJL-QPSCCSFWSA-N 2 1 236.403 2.782 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000251457042 535824693 /nfs/dbraw/zinc/82/46/93/535824693.db2.gz ALHSOBFTRINJJL-QPSCCSFWSA-N 2 1 236.403 2.782 10 0 BFAEMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000258643242 536178825 /nfs/dbraw/zinc/17/88/25/536178825.db2.gz DAOZMOTXISOOSF-OAHLLOKOSA-N 2 1 246.398 2.808 10 0 BFAEMP C[N@@H+](C1CCCCC1)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675052895 566412032 /nfs/dbraw/zinc/41/20/32/566412032.db2.gz BXYTUQCTSFCWET-GXTWGEPZSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757127966 582503172 /nfs/dbraw/zinc/50/31/72/582503172.db2.gz IHQYRYLFBZHNDC-GZBFAFLISA-N 2 1 236.403 2.639 10 0 BFAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757127948 582503278 /nfs/dbraw/zinc/50/32/78/582503278.db2.gz IHQYRYLFBZHNDC-GUTXKFCHSA-N 2 1 236.403 2.639 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCC1CCC1 ZINC000757129388 582504160 /nfs/dbraw/zinc/50/41/60/582504160.db2.gz LGKZCQLUWQUAMC-DZGCQCFKSA-N 2 1 236.403 2.783 10 0 BFAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757129172 586426495 /nfs/dbraw/zinc/42/64/95/586426495.db2.gz KVPVSJYEQRWNOB-MCIONIFRSA-N 2 1 224.392 2.637 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757208147 586437963 /nfs/dbraw/zinc/43/79/63/586437963.db2.gz CFTFRUVPICSANY-DFBGVHRSSA-N 2 1 244.382 2.736 10 0 BFAEMP C[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C(C)(C)C ZINC000715025899 712504301 /nfs/dbraw/zinc/50/43/01/712504301.db2.gz YNEPKCHQUZMAOK-RDBSUJKOSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C(C)(C)C ZINC000715025899 712504303 /nfs/dbraw/zinc/50/43/03/712504303.db2.gz YNEPKCHQUZMAOK-RDBSUJKOSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000685955069 538900272 /nfs/dbraw/zinc/90/02/72/538900272.db2.gz RWDCVWBVCJJKQE-ROKHWSDSSA-N 2 1 224.392 2.624 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCC(C)(C)CC2 ZINC000685955280 538900643 /nfs/dbraw/zinc/90/06/43/538900643.db2.gz XEFHJHVSJYSVAI-GFCCVEGCSA-N 2 1 224.392 2.768 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685952678 538896764 /nfs/dbraw/zinc/89/67/64/538896764.db2.gz BYJIOXRQMVALQH-RFQIPJPRSA-N 2 1 224.392 2.624 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])C12C[C@@H](C)C[C@H](C)C2 ZINC000685952675 538896866 /nfs/dbraw/zinc/89/68/66/538896866.db2.gz BYJIOXRQMVALQH-AVGNSLFASA-N 2 1 224.392 2.624 10 0 BFAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381480621 398259094 /nfs/dbraw/zinc/25/90/94/398259094.db2.gz AHIJFDPTHPEJMD-IJLUTSLNSA-N 2 1 246.345 2.624 10 0 BFAEMP CC(C)[NH2+][C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000070585014 136278528 /nfs/dbraw/zinc/27/85/28/136278528.db2.gz YGJFQVPMSZKXRM-CYBMUJFWSA-N 2 1 224.392 2.782 10 0 BFAEMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000258723886 136373834 /nfs/dbraw/zinc/37/38/34/136373834.db2.gz IPOGTYAEBLTHSU-OAHLLOKOSA-N 2 1 246.398 2.863 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226858179 534958868 /nfs/dbraw/zinc/95/88/68/534958868.db2.gz XOMLVCHCRRGORR-KBPBESRZSA-N 2 1 224.392 2.593 10 0 BFAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@@H](C(C)C)C2)c1 ZINC000062622395 179074936 /nfs/dbraw/zinc/07/49/36/179074936.db2.gz QEBHXPWVYZMFQL-MRXNPFEDSA-N 2 1 246.398 2.815 10 0 BFAEMP Cc1cccc(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000052205624 179092255 /nfs/dbraw/zinc/09/22/55/179092255.db2.gz CSWWBPWCVSEWQH-INIZCTEOSA-N 2 1 246.398 2.959 10 0 BFAEMP Cc1cccc(C[NH2+]CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000052205626 179092638 /nfs/dbraw/zinc/09/26/38/179092638.db2.gz CSWWBPWCVSEWQH-MRXNPFEDSA-N 2 1 246.398 2.959 10 0 BFAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC3CC3)C2)[nH+]1 ZINC000156475406 179147774 /nfs/dbraw/zinc/14/77/74/179147774.db2.gz KTUKKAZZVSRYMM-CQSZACIVSA-N 2 1 245.370 2.534 10 0 BFAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000156475406 179147777 /nfs/dbraw/zinc/14/77/77/179147777.db2.gz KTUKKAZZVSRYMM-CQSZACIVSA-N 2 1 245.370 2.534 10 0 BFAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000042965999 179187680 /nfs/dbraw/zinc/18/76/80/179187680.db2.gz NVNUUOACZTYBKY-DZGCQCFKSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC(C)C)c1 ZINC000042965999 179187682 /nfs/dbraw/zinc/18/76/82/179187682.db2.gz NVNUUOACZTYBKY-DZGCQCFKSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC2)c1 ZINC000042966758 179203589 /nfs/dbraw/zinc/20/35/89/179203589.db2.gz CFVYJIZVWGUNQF-DOMZBBRYSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000042966758 179203590 /nfs/dbraw/zinc/20/35/90/179203590.db2.gz CFVYJIZVWGUNQF-DOMZBBRYSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036127801 179268813 /nfs/dbraw/zinc/26/88/13/179268813.db2.gz QDNPXXFVVLHUEJ-GDBMZVCRSA-N 2 1 246.398 2.944 10 0 BFAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C[NH2+]1 ZINC000219631201 350134732 /nfs/dbraw/zinc/13/47/32/350134732.db2.gz GABDHTSDPPJYAT-UONOGXRCSA-N 2 1 232.371 2.507 10 0 BFAEMP Cc1[nH+]ccn1[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000023067531 180270787 /nfs/dbraw/zinc/27/07/87/180270787.db2.gz TTWLBWQANZBFOF-GJZGRUSLSA-N 2 1 241.338 2.769 10 0 BFAEMP Cc1[nH+]ccn1[C@@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043016624 180270869 /nfs/dbraw/zinc/27/08/69/180270869.db2.gz WETSRCVPYXXPIM-NOZJJQNGSA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]ccn1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000023071145 180271164 /nfs/dbraw/zinc/27/11/64/180271164.db2.gz ROLPHDLJTPTQFQ-AVGNSLFASA-N 2 1 235.375 2.906 10 0 BFAEMP Cc1[nH+]cn(CC[NH2+][C@H](C)CCC(C)C)c1C ZINC000053535934 180288336 /nfs/dbraw/zinc/28/83/36/180288336.db2.gz ZIPXKTKAFFFJTD-GFCCVEGCSA-N 2 1 237.391 2.914 10 0 BFAEMP c1coc([C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)c1 ZINC000163038807 350496327 /nfs/dbraw/zinc/49/63/27/350496327.db2.gz WHISXOYLRJWXBD-CQSZACIVSA-N 2 1 248.370 2.902 10 0 BFAEMP c1coc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)c1 ZINC000163038807 350496330 /nfs/dbraw/zinc/49/63/30/350496330.db2.gz WHISXOYLRJWXBD-CQSZACIVSA-N 2 1 248.370 2.902 10 0 BFAEMP CC(C)(C)[N@@H+]1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616601794 350786411 /nfs/dbraw/zinc/78/64/11/350786411.db2.gz UPAIZRBJAUYNST-LBPRGKRZSA-N 2 1 247.386 2.862 10 0 BFAEMP CC(C)(C)[N@H+]1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616601794 350786416 /nfs/dbraw/zinc/78/64/16/350786416.db2.gz UPAIZRBJAUYNST-LBPRGKRZSA-N 2 1 247.386 2.862 10 0 BFAEMP CC(C)(C)[N@H+]1CCCC[C@H](c2ccnc(N)c2)C1 ZINC000616603818 350795800 /nfs/dbraw/zinc/79/58/00/350795800.db2.gz IPLPCDDPKPPARC-ZDUSSCGKSA-N 2 1 247.386 2.862 10 0 BFAEMP CNc1ccccc1[C@@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616625652 351094808 /nfs/dbraw/zinc/09/48/08/351094808.db2.gz SGAWJCLLSFUEFG-HNNXBMFYSA-N 2 1 247.386 2.604 10 0 BFAEMP CNc1ccccc1[C@@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616625652 351094811 /nfs/dbraw/zinc/09/48/11/351094811.db2.gz SGAWJCLLSFUEFG-HNNXBMFYSA-N 2 1 247.386 2.604 10 0 BFAEMP CNc1ccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616625637 351094934 /nfs/dbraw/zinc/09/49/34/351094934.db2.gz ROELRJQTAPHPBP-HNNXBMFYSA-N 2 1 247.386 2.604 10 0 BFAEMP CNc1ccc([C@@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616625637 351094937 /nfs/dbraw/zinc/09/49/37/351094937.db2.gz ROELRJQTAPHPBP-HNNXBMFYSA-N 2 1 247.386 2.604 10 0 BFAEMP C[N@@H+](Cc1ccccc1)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270796 538102632 /nfs/dbraw/zinc/10/26/32/538102632.db2.gz UAAHMOICEVLKDT-HWOWSKLDSA-N 2 1 244.382 2.778 10 0 BFAEMP CCCCC[N@@H+](CC[C@H](C[NH3+])OCC)C(C)C ZINC000062741141 168693299 /nfs/dbraw/zinc/69/32/99/168693299.db2.gz JATNCHDJFQTJMU-CQSZACIVSA-N 2 1 244.423 2.641 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC000049713006 188125821 /nfs/dbraw/zinc/12/58/21/188125821.db2.gz NFXPAXWPOXDIQR-DZGCQCFKSA-N 2 1 232.371 2.567 10 0 BFAEMP C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000052381539 188126313 /nfs/dbraw/zinc/12/63/13/188126313.db2.gz RSYSYDZTFDSBCB-CYBMUJFWSA-N 2 1 232.371 2.638 10 0 BFAEMP CC[C@H](C)n1cc[nH+]c1C1CCC([NH3+])CC1 ZINC000675061071 538486688 /nfs/dbraw/zinc/48/66/88/538486688.db2.gz XNYNFXOEMZXWPW-UNXYVOJBSA-N 2 1 221.348 2.839 10 0 BFAEMP CC[C@@H]1CC[C@@H](CC[NH+]2CCCC2)[N@@H+](C)C1 ZINC000584652210 358307120 /nfs/dbraw/zinc/30/71/20/358307120.db2.gz QQUFBQNUZZCFGO-KGLIPLIRSA-N 2 1 224.392 2.593 10 0 BFAEMP CC(C)C[NH2+][C@H]1CCCC[C@@]12CCC[N@@H+]2C ZINC000584616626 358281489 /nfs/dbraw/zinc/28/14/89/358281489.db2.gz NDXRUFWNWNABMB-UONOGXRCSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)C[NH2+][C@H]1CCCC[C@@]12CCC[N@H+]2C ZINC000584616626 358281492 /nfs/dbraw/zinc/28/14/92/358281492.db2.gz NDXRUFWNWNABMB-UONOGXRCSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[N@@H+](CCCCCC[NH3+])Cc1ccco1 ZINC000042445981 358349223 /nfs/dbraw/zinc/34/92/23/358349223.db2.gz XGLVYEUYICEZQY-UHFFFAOYSA-N 2 1 224.348 2.621 10 0 BFAEMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396626280 358450437 /nfs/dbraw/zinc/45/04/37/358450437.db2.gz ITNPJGFZEDAXCL-IJEWVQPXSA-N 2 1 246.398 2.738 10 0 BFAEMP [NH3+]C1CCC([N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000055144678 181341062 /nfs/dbraw/zinc/34/10/62/181341062.db2.gz NEGANWJWLIRYBE-QQFBHYJXSA-N 2 1 244.382 2.746 10 0 BFAEMP [NH3+]CC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000038343309 181364818 /nfs/dbraw/zinc/36/48/18/181364818.db2.gz XMVIXYGGJZSVIC-MQVJKMGUSA-N 2 1 244.382 2.778 10 0 BFAEMP CCC[N@@H+](C[C@H](C[NH3+])c1ccccc1)CC1CC1 ZINC000035731463 169138451 /nfs/dbraw/zinc/13/84/51/169138451.db2.gz ZCXNOYOMZKQLNC-INIZCTEOSA-N 2 1 246.398 2.851 10 0 BFAEMP CCC[N@H+](CC[NH3+])Cc1c(C)cc(C)cc1C ZINC000053299945 169158499 /nfs/dbraw/zinc/15/84/99/169158499.db2.gz USKJHGBZLOHXMG-UHFFFAOYSA-N 2 1 234.387 2.783 10 0 BFAEMP CCC[N@@H+](CC[NH3+])Cc1c(C)cc(C)cc1C ZINC000053299945 169158501 /nfs/dbraw/zinc/15/85/01/169158501.db2.gz USKJHGBZLOHXMG-UHFFFAOYSA-N 2 1 234.387 2.783 10 0 BFAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000054603356 169255589 /nfs/dbraw/zinc/25/55/89/169255589.db2.gz RTRCWEXZAJJYMQ-LQDVMPOASA-N 2 1 236.403 2.924 10 0 BFAEMP CCC[NH2+]CCC[N@@H+](CC)Cc1ccccc1 ZINC000042409462 169256735 /nfs/dbraw/zinc/25/67/35/169256735.db2.gz BOMSLHOCGFLSIV-UHFFFAOYSA-N 2 1 234.387 2.898 10 0 BFAEMP CCC[NH2+]CC[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000052346641 169261703 /nfs/dbraw/zinc/26/17/03/169261703.db2.gz VOBUXWTZQUPOCF-LBPRGKRZSA-N 2 1 238.375 2.798 10 0 BFAEMP CCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000052346641 169261704 /nfs/dbraw/zinc/26/17/04/169261704.db2.gz VOBUXWTZQUPOCF-LBPRGKRZSA-N 2 1 238.375 2.798 10 0 BFAEMP CCC[NH2+]C[C@H](CC)[N@H+](CCOC)[C@@H](C)CC ZINC000052547222 169264062 /nfs/dbraw/zinc/26/40/62/169264062.db2.gz IDLRCTIUUJHUNX-KBPBESRZSA-N 2 1 244.423 2.512 10 0 BFAEMP CCC[NH2+]C[C@H](CC)[N@@H+](CCOC)[C@@H](C)CC ZINC000052547222 169264064 /nfs/dbraw/zinc/26/40/64/169264064.db2.gz IDLRCTIUUJHUNX-KBPBESRZSA-N 2 1 244.423 2.512 10 0 BFAEMP CCC[NH2+]Cc1oc(C[N@@H+](C)C(C)C)cc1C ZINC000052419733 169268840 /nfs/dbraw/zinc/26/88/40/169268840.db2.gz WCABUFJDOCWBGY-UHFFFAOYSA-N 2 1 238.375 2.928 10 0 BFAEMP c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096985036 183399237 /nfs/dbraw/zinc/39/92/37/183399237.db2.gz CSSSWROORKPTQD-HZPDHXFCSA-N 2 1 244.382 2.651 10 0 BFAEMP CCC[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C ZINC000049710672 169281604 /nfs/dbraw/zinc/28/16/04/169281604.db2.gz HYKRTIHJLXRSQA-DZGCQCFKSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000061484484 169290856 /nfs/dbraw/zinc/29/08/56/169290856.db2.gz PXKCOKFCROHHQQ-CABCVRRESA-N 2 1 238.419 2.887 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226858554 134370466 /nfs/dbraw/zinc/37/04/66/134370466.db2.gz GMBFJAQVPZEBLM-QWHCGFSZSA-N 2 1 226.408 2.885 10 0 BFAEMP C[NH+](C)CCC[N@H+]1CCC2(C1)CCCCCC2 ZINC000026740868 384792737 /nfs/dbraw/zinc/79/27/37/384792737.db2.gz SCTOANJRNYKYEU-UHFFFAOYSA-N 2 1 238.419 2.984 10 0 BFAEMP CC(C)CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365179500 384907587 /nfs/dbraw/zinc/90/75/87/384907587.db2.gz XCJQECDUNBCNCN-ZDUSSCGKSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000365179500 384907594 /nfs/dbraw/zinc/90/75/94/384907594.db2.gz XCJQECDUNBCNCN-ZDUSSCGKSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@@H](CCCC[NH3+])Nc1cc[nH+]cc1Cl ZINC000308828439 385199038 /nfs/dbraw/zinc/19/90/38/385199038.db2.gz IPXOAADMQVXSPG-VIFPVBQESA-N 2 1 227.739 2.664 10 0 BFAEMP [NH3+]C[C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000032625256 385175157 /nfs/dbraw/zinc/17/51/57/385175157.db2.gz AFHIMDPHXZNRAO-HOTGVXAUSA-N 2 1 244.382 2.638 10 0 BFAEMP CC(C)[C@]1([NH3+])CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575561936 386025649 /nfs/dbraw/zinc/02/56/49/386025649.db2.gz XBTFVRGKTNACEL-UKRRQHHQSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396588715 386777123 /nfs/dbraw/zinc/77/71/23/386777123.db2.gz IWFBLIXCKFAGHU-AGIUHOORSA-N 2 1 226.408 2.931 10 0 BFAEMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)s1 ZINC000422811699 387710958 /nfs/dbraw/zinc/71/09/58/387710958.db2.gz VFKLBEKRKUMMJP-JGVFFNPUSA-N 2 1 244.791 2.660 10 0 BFAEMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000396665895 387940518 /nfs/dbraw/zinc/94/05/18/387940518.db2.gz AHYRBDOJRMGHRY-RISCZKNCSA-N 2 1 236.403 2.685 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000396665897 387941666 /nfs/dbraw/zinc/94/16/66/387941666.db2.gz AHYRBDOJRMGHRY-SMDDNHRTSA-N 2 1 236.403 2.685 10 0 BFAEMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccco1 ZINC000245642972 387968922 /nfs/dbraw/zinc/96/89/22/387968922.db2.gz SPQGVUIXAAMLHJ-KGLIPLIRSA-N 2 1 248.370 2.901 10 0 BFAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccco1 ZINC000245642972 387968926 /nfs/dbraw/zinc/96/89/26/387968926.db2.gz SPQGVUIXAAMLHJ-KGLIPLIRSA-N 2 1 248.370 2.901 10 0 BFAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000245642972 387968929 /nfs/dbraw/zinc/96/89/29/387968929.db2.gz SPQGVUIXAAMLHJ-KGLIPLIRSA-N 2 1 248.370 2.901 10 0 BFAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000245642972 387968933 /nfs/dbraw/zinc/96/89/33/387968933.db2.gz SPQGVUIXAAMLHJ-KGLIPLIRSA-N 2 1 248.370 2.901 10 0 BFAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CC(C(C)C)C1 ZINC000393800277 388398556 /nfs/dbraw/zinc/39/85/56/388398556.db2.gz LZNGHSMFOYCDOV-HSBZDZAISA-N 2 1 226.408 2.741 10 0 BFAEMP CC[C@@H]1CCCC[C@@H]1[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310371762 388481744 /nfs/dbraw/zinc/48/17/44/388481744.db2.gz OAXDKKASRDJYBY-APIJFGDWSA-N 2 1 238.419 2.872 10 0 BFAEMP CCC[C@H](C1CCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000322300392 388430133 /nfs/dbraw/zinc/43/01/33/388430133.db2.gz UNUVIIFIMQFYAQ-BPLDGKMQSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000310947182 388491089 /nfs/dbraw/zinc/49/10/89/388491089.db2.gz XYLVGIVJXJOONV-DAXOMENPSA-N 2 1 244.382 2.591 10 0 BFAEMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000335967924 134028960 /nfs/dbraw/zinc/02/89/60/134028960.db2.gz JSDWOQVPCMMEOU-ZIAGYGMSSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000335967924 134028961 /nfs/dbraw/zinc/02/89/61/134028961.db2.gz JSDWOQVPCMMEOU-ZIAGYGMSSA-N 2 1 236.403 2.735 10 0 BFAEMP CCc1nccn1[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000179572737 134321856 /nfs/dbraw/zinc/32/18/56/134321856.db2.gz VAVHYMUTRDLGMI-ZDUSSCGKSA-N 2 1 233.359 2.635 10 0 BFAEMP CC(C)C[NH2+][C@@H]1CC[N@@H+](CC(C)C)C[C@@H]1C ZINC000226859298 134370531 /nfs/dbraw/zinc/37/05/31/134370531.db2.gz RPYGRNVBGBBXJN-UONOGXRCSA-N 2 1 226.408 2.598 10 0 BFAEMP Cc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1C ZINC000227191824 134375333 /nfs/dbraw/zinc/37/53/33/134375333.db2.gz LAIDEZPUVMTUMT-XJKSGUPXSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1C ZINC000227191824 134375334 /nfs/dbraw/zinc/37/53/34/134375334.db2.gz LAIDEZPUVMTUMT-XJKSGUPXSA-N 2 1 246.398 2.863 10 0 BFAEMP CC1(C)C[N@@H+](CCC2CCCC2)CC[C@H]1[NH3+] ZINC000261583821 135225219 /nfs/dbraw/zinc/22/52/19/135225219.db2.gz PGLFEYXOJUKWLY-CYBMUJFWSA-N 2 1 224.392 2.626 10 0 BFAEMP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000052479571 167004216 /nfs/dbraw/zinc/00/42/16/167004216.db2.gz HMCHRYTWQHMTEP-AWEZNQCLSA-N 2 1 249.402 2.538 10 0 BFAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000052479571 167004220 /nfs/dbraw/zinc/00/42/20/167004220.db2.gz HMCHRYTWQHMTEP-AWEZNQCLSA-N 2 1 249.402 2.538 10 0 BFAEMP CC(C)[NH2+]C[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482211 167114174 /nfs/dbraw/zinc/11/41/74/167114174.db2.gz DRXXJLWCXMKKFD-SOUVJXGZSA-N 2 1 238.419 2.885 10 0 BFAEMP CC(C)[NH2+]C[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482211 167114175 /nfs/dbraw/zinc/11/41/75/167114175.db2.gz DRXXJLWCXMKKFD-SOUVJXGZSA-N 2 1 238.419 2.885 10 0 BFAEMP CC(C)[NH2+][C@@]1(C[NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000050270738 167136930 /nfs/dbraw/zinc/13/69/30/167136930.db2.gz LBMCDAUGNPYZPN-AAEUAGOBSA-N 2 1 212.381 2.528 10 0 BFAEMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC000300087630 411080458 /nfs/dbraw/zinc/08/04/58/411080458.db2.gz NBVZGBWNORTUPF-QLFBSQMISA-N 2 1 246.398 2.952 10 0 BFAEMP Cc1cc(C)c([C@H](C)[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000300087628 411081017 /nfs/dbraw/zinc/08/10/17/411081017.db2.gz NBVZGBWNORTUPF-KKUMJFAQSA-N 2 1 246.398 2.952 10 0 BFAEMP CC1CCC([N@@H+](C)Cc2occc2C[NH3+])CC1 ZINC000052345382 168160021 /nfs/dbraw/zinc/16/00/21/168160021.db2.gz ZMEBXOFSOOEMDH-UHFFFAOYSA-N 2 1 236.359 2.749 10 0 BFAEMP C[C@H]([NH3+])[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000042900606 168186941 /nfs/dbraw/zinc/18/69/41/168186941.db2.gz AKAPQSKZUQXHIH-DZGCQCFKSA-N 2 1 232.371 2.807 10 0 BFAEMP C[NH2+]Cc1ccccc1CNc1cccc(C)[nH+]1 ZINC000404628029 411402839 /nfs/dbraw/zinc/40/28/39/411402839.db2.gz DEWCZQPPORVZKH-UHFFFAOYSA-N 2 1 241.338 2.722 10 0 BFAEMP CC[C@@H]1C[N@@H+](CC2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000122400962 411431302 /nfs/dbraw/zinc/43/13/02/411431302.db2.gz GXYDKNPIFZMQMD-CVSAEHQPSA-N 2 1 238.419 2.872 10 0 BFAEMP CC[C@H]1C[N@@H+](CC2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000122401200 411432098 /nfs/dbraw/zinc/43/20/98/411432098.db2.gz GXYDKNPIFZMQMD-WUCCLRPBSA-N 2 1 238.419 2.872 10 0 BFAEMP CC[NH2+]C(C)(C)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000061299956 170107827 /nfs/dbraw/zinc/10/78/27/170107827.db2.gz LFGIJBGTTLSHLH-OAHLLOKOSA-N 2 1 246.398 2.864 10 0 BFAEMP CC[NH2+]C(C)(C)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000061299956 170107828 /nfs/dbraw/zinc/10/78/28/170107828.db2.gz LFGIJBGTTLSHLH-OAHLLOKOSA-N 2 1 246.398 2.864 10 0 BFAEMP CC[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000095091430 170108718 /nfs/dbraw/zinc/10/87/18/170108718.db2.gz JPGHWKBBUTZBKD-UHFFFAOYSA-N 2 1 232.371 2.651 10 0 BFAEMP CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000053653901 170122434 /nfs/dbraw/zinc/12/24/34/170122434.db2.gz WHZQVSMEGGNTMF-GFCCVEGCSA-N 2 1 238.400 2.570 10 0 BFAEMP CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000053653901 170122436 /nfs/dbraw/zinc/12/24/36/170122436.db2.gz WHZQVSMEGGNTMF-GFCCVEGCSA-N 2 1 238.400 2.570 10 0 BFAEMP CC[NH2+]Cc1cc(C[N@H+]2CCC[C@@H]2C)c(C)o1 ZINC000052376111 170125749 /nfs/dbraw/zinc/12/57/49/170125749.db2.gz JUYIEURIMHRTEJ-NSHDSACASA-N 2 1 236.359 2.682 10 0 BFAEMP CC[NH2+]Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000052543886 170126627 /nfs/dbraw/zinc/12/66/27/170126627.db2.gz GCAKHCFCLKEYGH-JKSUJKDBSA-N 2 1 244.382 2.780 10 0 BFAEMP CC[NH2+]Cc1oc(C[N@@H+](CC)C(C)C)cc1C ZINC000052447144 170132108 /nfs/dbraw/zinc/13/21/08/170132108.db2.gz VLCWZEQKYFTNCJ-UHFFFAOYSA-N 2 1 238.375 2.928 10 0 BFAEMP CC[NH2+][C@H]1CCCCC[C@@H]1n1cc[nH+]c1C ZINC000043994167 170166056 /nfs/dbraw/zinc/16/60/56/170166056.db2.gz BPWXTEZRSQFTKU-STQMWFEESA-N 2 1 221.348 2.675 10 0 BFAEMP CC[NH2+][C@H]1CCCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC000053870081 170166196 /nfs/dbraw/zinc/16/61/96/170166196.db2.gz AVFICXIWBNALKF-CABCVRRESA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@H]1CCCC[C@H]1n1c[nH+]c(C)c1C ZINC000051926675 170166868 /nfs/dbraw/zinc/16/68/68/170166868.db2.gz ZWMYKQROYPQZSS-QWHCGFSZSA-N 2 1 221.348 2.593 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC000049708903 170167749 /nfs/dbraw/zinc/16/77/49/170167749.db2.gz ZQSCPNIRAPXSTD-ZBFHGGJFSA-N 2 1 246.398 2.957 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC000049708903 170167750 /nfs/dbraw/zinc/16/77/50/170167750.db2.gz ZQSCPNIRAPXSTD-ZBFHGGJFSA-N 2 1 246.398 2.957 10 0 BFAEMP Cc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)o1 ZINC000314329189 411658726 /nfs/dbraw/zinc/65/87/26/411658726.db2.gz JZGNZTKEPNNCQN-GFCCVEGCSA-N 2 1 247.342 2.605 10 0 BFAEMP CC[C@@H]1CC[N@H+](C(C)(C)CC)C[C@H](C)C[NH2+]1 ZINC000049664987 171007972 /nfs/dbraw/zinc/00/79/72/171007972.db2.gz FDVSCZKEUSIRQF-CHWSQXEVSA-N 2 1 226.408 2.885 10 0 BFAEMP CC[C@@H]1CC[N@H+](Cc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049664327 171010901 /nfs/dbraw/zinc/01/09/01/171010901.db2.gz QESKVEIYYANJIX-QWHCGFSZSA-N 2 1 236.359 2.632 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049664327 171010905 /nfs/dbraw/zinc/01/09/05/171010905.db2.gz QESKVEIYYANJIX-QWHCGFSZSA-N 2 1 236.359 2.632 10 0 BFAEMP CC[C@@](C)(C[NH3+])C[N@@H+](C)Cc1ccccc1C ZINC000051256391 171167086 /nfs/dbraw/zinc/16/70/86/171167086.db2.gz ODJCXQCCWSXGLK-HNNXBMFYSA-N 2 1 234.387 2.802 10 0 BFAEMP CC[C@@](C)(C[NH3+])C[N@@H+](C)Cc1ccc(C)cc1 ZINC000051214086 171167317 /nfs/dbraw/zinc/16/73/17/171167317.db2.gz SCOXTRMRQHBWGU-HNNXBMFYSA-N 2 1 234.387 2.802 10 0 BFAEMP C[NH2+]C[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000663280300 412408220 /nfs/dbraw/zinc/40/82/20/412408220.db2.gz IAHOVGCEWGHUTA-SECBINFHSA-N 2 1 249.745 2.908 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042973274 172028637 /nfs/dbraw/zinc/02/86/37/172028637.db2.gz HPBALFGLOSABAO-HZMBPMFUSA-N 2 1 247.317 2.521 10 0 BFAEMP CCc1[nH+]ccn1[C@H]1CCCCC[C@H]1C[NH3+] ZINC000042419627 172028832 /nfs/dbraw/zinc/02/88/32/172028832.db2.gz LENVRRVYZKFNMH-RYUDHWBXSA-N 2 1 221.348 2.526 10 0 BFAEMP CCc1[nH+]ccn1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000044037105 172029674 /nfs/dbraw/zinc/02/96/74/172029674.db2.gz RUOWNAMLTAOGDY-NWDGAFQWSA-N 2 1 221.348 2.539 10 0 BFAEMP CCc1[nH+]ccn1[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000042419625 172030032 /nfs/dbraw/zinc/03/00/32/172030032.db2.gz LENVRRVYZKFNMH-NEPJUHHUSA-N 2 1 221.348 2.526 10 0 BFAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1(C)CCCC1 ZINC000052205846 173004977 /nfs/dbraw/zinc/00/49/77/173004977.db2.gz NVRLLMMEHZTIPR-CYBMUJFWSA-N 2 1 224.392 2.783 10 0 BFAEMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000037646358 173147338 /nfs/dbraw/zinc/14/73/38/173147338.db2.gz FBWXMKCWCSBGES-CZUORRHYSA-N 2 1 244.382 2.605 10 0 BFAEMP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C)s2)CC1 ZINC000049183931 173323915 /nfs/dbraw/zinc/32/39/15/173323915.db2.gz TUMMWSCZKWTTJW-NSHDSACASA-N 2 1 238.400 2.801 10 0 BFAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)(C)C ZINC000054602353 173324405 /nfs/dbraw/zinc/32/44/05/173324405.db2.gz WGSUIJFPWHIFPN-YHWZYXNKSA-N 2 1 224.392 2.637 10 0 BFAEMP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C)cc2)CC1 ZINC000049557891 173324549 /nfs/dbraw/zinc/32/45/49/173324549.db2.gz QROLAIIJQDJYTE-ZDUSSCGKSA-N 2 1 232.371 2.740 10 0 BFAEMP C[NH2+]C[C@@](C)(C[N@@H+](C)CC1CC1)c1ccccc1 ZINC000051249756 173372609 /nfs/dbraw/zinc/37/26/09/173372609.db2.gz FOUXFQZYGHKFIP-INIZCTEOSA-N 2 1 246.398 2.506 10 0 BFAEMP C[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042437388 175804805 /nfs/dbraw/zinc/80/48/05/175804805.db2.gz FXTJTHSHJYUWLC-SNVBAGLBSA-N 2 1 226.751 2.509 10 0 BFAEMP C[C@@H](c1ccccc1)[N@H+]1CCC[NH2+][C@H](C)CC1 ZINC000049664289 176022294 /nfs/dbraw/zinc/02/22/94/176022294.db2.gz LKOSVPVEKJHUSB-KGLIPLIRSA-N 2 1 232.371 2.822 10 0 BFAEMP C[C@@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)CC2CC2)C1 ZINC000037925342 176052629 /nfs/dbraw/zinc/05/26/29/176052629.db2.gz LVRPBWIBNHNQJW-DOMZBBRYSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCC([NH3+])CC1 ZINC000055144604 176077439 /nfs/dbraw/zinc/07/74/39/176077439.db2.gz ZRBFQOFIMOWNNN-RYSNWHEDSA-N 2 1 224.392 2.767 10 0 BFAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000019401458 176100910 /nfs/dbraw/zinc/10/09/10/176100910.db2.gz FIJQTLIVNDBRRC-LLVKDONJSA-N 2 1 236.334 2.516 10 0 BFAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C[NH3+])co2)C1 ZINC000052513885 176121269 /nfs/dbraw/zinc/12/12/69/176121269.db2.gz VCMAYTOTMMGBEM-DGCLKSJQSA-N 2 1 236.359 2.749 10 0 BFAEMP C[C@@H]1CC[N@H+](C2(C)CCCCC2)CCC[NH2+]1 ZINC000045046675 176167667 /nfs/dbraw/zinc/16/76/67/176167667.db2.gz RTEYGXDEADWAGZ-CYBMUJFWSA-N 2 1 224.392 2.783 10 0 BFAEMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1[NH3+] ZINC000068592910 176362687 /nfs/dbraw/zinc/36/26/87/176362687.db2.gz VLNSZQNRDVTFLY-RGCMKSIDSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1[NH3+] ZINC000068592910 176362689 /nfs/dbraw/zinc/36/26/89/176362689.db2.gz VLNSZQNRDVTFLY-RGCMKSIDSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@H]1CCCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000019264380 177076555 /nfs/dbraw/zinc/07/65/55/177076555.db2.gz MVEOLZRCIOUBAP-NSHDSACASA-N 2 1 236.334 2.659 10 0 BFAEMP C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020071584 177077862 /nfs/dbraw/zinc/07/78/62/177077862.db2.gz UKGAENBGLOVKBD-AJNGGQMLSA-N 2 1 236.403 2.782 10 0 BFAEMP C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020071584 177077863 /nfs/dbraw/zinc/07/78/63/177077863.db2.gz UKGAENBGLOVKBD-AJNGGQMLSA-N 2 1 236.403 2.782 10 0 BFAEMP C[C@H]1CCCC[C@@H]1N(C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047901 177080718 /nfs/dbraw/zinc/08/07/18/177080718.db2.gz QWEMMPUYKKZEHM-UBHSHLNASA-N 2 1 236.359 2.790 10 0 BFAEMP C[C@H]1CCC[N@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052376066 177109962 /nfs/dbraw/zinc/10/99/62/177109962.db2.gz VGZJXFAFOOSIPO-ZDUSSCGKSA-N 2 1 244.382 2.923 10 0 BFAEMP C[C@H]1CCC[N@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052375805 177109970 /nfs/dbraw/zinc/10/99/70/177109970.db2.gz WTNILDANGKCURG-NSHDSACASA-N 2 1 234.343 2.516 10 0 BFAEMP C[C@H]1CCC[N@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000052375960 177110430 /nfs/dbraw/zinc/11/04/30/177110430.db2.gz ULIVEUHDWHDJOB-NSHDSACASA-N 2 1 244.338 2.876 10 0 BFAEMP C[C@H]1CC[N@@H+](CCC2CCCC2)CCC[NH2+]1 ZINC000049666883 177159096 /nfs/dbraw/zinc/15/90/96/177159096.db2.gz YZRFBMHERIOLKZ-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666643 177170209 /nfs/dbraw/zinc/17/02/09/177170209.db2.gz FXCUCDBVOQLFAR-MJBXVCDLSA-N 2 1 247.386 2.605 10 0 BFAEMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666643 177170210 /nfs/dbraw/zinc/17/02/10/177170210.db2.gz FXCUCDBVOQLFAR-MJBXVCDLSA-N 2 1 247.386 2.605 10 0 BFAEMP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)C1 ZINC000049665912 177285816 /nfs/dbraw/zinc/28/58/16/177285816.db2.gz UTFXWHRQBYJXGN-KBXIAJHMSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1[NH3+] ZINC000068592903 177323554 /nfs/dbraw/zinc/32/35/54/177323554.db2.gz VLNSZQNRDVTFLY-QVHKTLOISA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1[NH3+] ZINC000068592903 177323556 /nfs/dbraw/zinc/32/35/56/177323556.db2.gz VLNSZQNRDVTFLY-QVHKTLOISA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694216 177364475 /nfs/dbraw/zinc/36/44/75/177364475.db2.gz WNZWNQXTGGXDPC-BQOUJGBCSA-N 2 1 248.414 2.767 10 0 BFAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000396709193 487531747 /nfs/dbraw/zinc/53/17/47/487531747.db2.gz OSAINGBWQUJQHL-OBJOEFQTSA-N 2 1 224.392 2.685 10 0 BFAEMP CC(C)C[NH2+][C@@H]1CC[N@@H+](CC(C)C)C[C@H]1C ZINC000242648997 519749767 /nfs/dbraw/zinc/74/97/67/519749767.db2.gz RPYGRNVBGBBXJN-ZIAGYGMSSA-N 2 1 226.408 2.598 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757129079 582504956 /nfs/dbraw/zinc/50/49/56/582504956.db2.gz KRMQIKXXINFVDR-MJBXVCDLSA-N 2 1 224.392 2.782 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000252474600 520596489 /nfs/dbraw/zinc/59/64/89/520596489.db2.gz IDGPGQKRXMCTNE-ZIAGYGMSSA-N 2 1 224.392 2.735 10 0 BFAEMP CCCC[N@H+]1CC[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000252474599 520597053 /nfs/dbraw/zinc/59/70/53/520597053.db2.gz IDGPGQKRXMCTNE-KGLIPLIRSA-N 2 1 224.392 2.735 10 0 BFAEMP CCCC[N@H+]1CC[C@H]([NH+](CC)CC)C[C@H]1C ZINC000252475257 520597271 /nfs/dbraw/zinc/59/72/71/520597271.db2.gz XBBXLGXLFDDTMV-KGLIPLIRSA-N 2 1 226.408 2.981 10 0 BFAEMP C[C@H]1[C@@H]([NH3+])[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000238856836 525091587 /nfs/dbraw/zinc/09/15/87/525091587.db2.gz XHQDHKBQLIGGBO-HCZIRCDUSA-N 2 1 246.398 2.879 10 0 BFAEMP C[C@@H]1[C@H](C)[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238856837 525696723 /nfs/dbraw/zinc/69/67/23/525696723.db2.gz XHQDHKBQLIGGBO-QKDZRIPBSA-N 2 1 246.398 2.879 10 0 BFAEMP CC(C)C[N@H+]1C[C@@H]2CCC[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000503720870 528027905 /nfs/dbraw/zinc/02/79/05/528027905.db2.gz WKDTVTPLLXPBOO-KKUMJFAQSA-N 2 1 238.419 2.552 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000226858484 534950804 /nfs/dbraw/zinc/95/08/04/534950804.db2.gz OIENUARUPLILPL-GOEBONIOSA-N 2 1 246.398 2.897 10 0 BFAEMP CC[NH+](CC)[C@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 ZINC000226861325 535679938 /nfs/dbraw/zinc/67/99/38/535679938.db2.gz LWUAACCWAQBDEE-KBPBESRZSA-N 2 1 226.408 2.837 10 0 BFAEMP CCCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757123528 582498298 /nfs/dbraw/zinc/49/82/98/582498298.db2.gz ACXDYQKKBMQOMG-UONOGXRCSA-N 2 1 224.392 2.641 10 0 BFAEMP CCCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757123560 582498491 /nfs/dbraw/zinc/49/84/91/582498491.db2.gz ACXDYQKKBMQOMG-ZIAGYGMSSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@@H]1C[NH2+]C[C@@]2(CCC[N@H+]2CCC2CCC2)C1 ZINC000757126917 582501270 /nfs/dbraw/zinc/50/12/70/582501270.db2.gz HRRSUWBCXJKVMU-DZGCQCFKSA-N 2 1 236.403 2.641 10 0 BFAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757127981 582503254 /nfs/dbraw/zinc/50/32/54/582503254.db2.gz ILBDTSFFOUFXBO-NFAWXSAZSA-N 2 1 236.403 2.782 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132612 582507815 /nfs/dbraw/zinc/50/78/15/582507815.db2.gz ROJXGNDTUUGSQA-MELADBBJSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)CCCCCC[NH2+][C@H]1CC[NH2+]C1 ZINC000086725719 644468538 /nfs/dbraw/zinc/46/85/38/644468538.db2.gz FSQBPLAWZPUTBO-ZDUSSCGKSA-N 2 1 212.381 2.544 10 0 BFAEMP CC/C=C/CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096845445 644842874 /nfs/dbraw/zinc/84/28/74/644842874.db2.gz NJJKJTJKGUIDQA-JKWAOEONSA-N 2 1 222.376 2.559 10 0 BFAEMP CC/C=C/CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096845445 644842880 /nfs/dbraw/zinc/84/28/80/644842880.db2.gz NJJKJTJKGUIDQA-JKWAOEONSA-N 2 1 222.376 2.559 10 0 BFAEMP C[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C(C)(C)C ZINC000715025896 712503921 /nfs/dbraw/zinc/50/39/21/712503921.db2.gz YNEPKCHQUZMAOK-HZSPNIEDSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C(C)(C)C ZINC000715025896 712503922 /nfs/dbraw/zinc/50/39/22/712503922.db2.gz YNEPKCHQUZMAOK-HZSPNIEDSA-N 2 1 238.419 2.743 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@H]2C ZINC000685954538 538899175 /nfs/dbraw/zinc/89/91/75/538899175.db2.gz NTFYYIIXNDEPSB-YIYPIFLZSA-N 2 1 224.392 2.624 10 0 BFAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12C[C@H](C)C[C@@H](C)C2 ZINC000685955140 538900405 /nfs/dbraw/zinc/90/04/05/538900405.db2.gz ULZDRCOAEHUBHH-JHJVBQTASA-N 2 1 224.392 2.623 10 0 BFAEMP CCCC1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2CC ZINC000685952531 538896538 /nfs/dbraw/zinc/89/65/38/538896538.db2.gz ABLBEXAELATDPH-ROKHWSDSSA-N 2 1 224.392 2.768 10 0 BFAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCC(C)(C)C2 ZINC000685952693 538896634 /nfs/dbraw/zinc/89/66/34/538896634.db2.gz CBXMIICWJNIQHQ-OCCSQVGLSA-N 2 1 224.392 2.767 10 0 BFAEMP CC(C)[N@H+]1C[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC000151450455 398145338 /nfs/dbraw/zinc/14/53/38/398145338.db2.gz DAFRETNCQUMLAF-STQMWFEESA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)[N@@H+]1C[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC000151450455 398145343 /nfs/dbraw/zinc/14/53/43/398145343.db2.gz DAFRETNCQUMLAF-STQMWFEESA-N 2 1 226.408 2.741 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381480626 398259251 /nfs/dbraw/zinc/25/92/51/398259251.db2.gz AHIJFDPTHPEJMD-WOPDTQHZSA-N 2 1 246.345 2.624 10 0 BFAEMP CCC(CC)[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000036789183 168369484 /nfs/dbraw/zinc/36/94/84/168369484.db2.gz VTMAQSNTKOCNMZ-UHFFFAOYSA-N 2 1 233.359 2.591 10 0 BFAEMP CCC(CC)[N@@H+](CCC[NH2+]C(C)C)CCOC ZINC000042681309 168372175 /nfs/dbraw/zinc/37/21/75/168372175.db2.gz IQZZQNZZZRFOGA-UHFFFAOYSA-N 2 1 244.423 2.512 10 0 BFAEMP CCC(CC)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038018937 168386928 /nfs/dbraw/zinc/38/69/28/168386928.db2.gz VCWYVXJWQYNHJS-QXMXGUDHSA-N 2 1 224.392 2.637 10 0 BFAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@H](C)C(C)(C)C ZINC000381344078 538998627 /nfs/dbraw/zinc/99/86/27/538998627.db2.gz YJLYPOLABVVPOQ-STQMWFEESA-N 2 1 228.424 2.989 10 0 BFAEMP C[C@@H]1C[C@H](C)[C@@H]([N@@H+](C)Cc2ccccc2)[C@@H]([NH3+])C1 ZINC000219315144 342856822 /nfs/dbraw/zinc/85/68/22/342856822.db2.gz ZGWOISNBEOJKJB-BFJAYTPKSA-N 2 1 246.398 2.880 10 0 BFAEMP CC[NH2+][C@@H](C)CC[N@@H+](C)Cc1ccccc1 ZINC000043816529 344236773 /nfs/dbraw/zinc/23/67/73/344236773.db2.gz PNYRFQYUNGOLFQ-ZDUSSCGKSA-N 2 1 220.360 2.507 10 0 BFAEMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](C[NH3+])C2)[C@H]1C ZINC000675054277 537894056 /nfs/dbraw/zinc/89/40/56/537894056.db2.gz QZVJSTJUIFHBGM-ZOBORPQBSA-N 2 1 224.392 2.624 10 0 BFAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@H](C(C)C)C2)c1 ZINC000062622394 179073299 /nfs/dbraw/zinc/07/32/99/179073299.db2.gz QEBHXPWVYZMFQL-INIZCTEOSA-N 2 1 246.398 2.815 10 0 BFAEMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427378 179084075 /nfs/dbraw/zinc/08/40/75/179084075.db2.gz FIOZEQNAYRCAIX-ZFWWWQNUSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1[nH+]cn([C@H](c2cccc(C)c2)[C@@H](C)[NH3+])c1C ZINC000051925780 179204055 /nfs/dbraw/zinc/20/40/55/179204055.db2.gz GDDQMUXOKYQGIS-ABAIWWIYSA-N 2 1 243.354 2.745 10 0 BFAEMP Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000036127817 179268481 /nfs/dbraw/zinc/26/84/81/179268481.db2.gz UEAKVEKHHFPDMH-UKRRQHHQSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccccc1C[N@@H+](C)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000070578497 179269633 /nfs/dbraw/zinc/26/96/33/179269633.db2.gz GLIYHFPVTOOOFC-HOCLYGCPSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1ccccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051357300 179274582 /nfs/dbraw/zinc/27/45/82/179274582.db2.gz SIKCAPYZGMRZAI-HOTGVXAUSA-N 2 1 244.382 2.711 10 0 BFAEMP Cc1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051357300 179274584 /nfs/dbraw/zinc/27/45/84/179274584.db2.gz SIKCAPYZGMRZAI-HOTGVXAUSA-N 2 1 244.382 2.711 10 0 BFAEMP Cc1ccccc1C[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000062622393 179275103 /nfs/dbraw/zinc/27/51/03/179275103.db2.gz PUDVELGVVIFUOB-MRXNPFEDSA-N 2 1 246.398 2.815 10 0 BFAEMP Cc1ccccc1C[N@@H+]1CC[C@H](C)[NH2+]C[C@H](C)C1 ZINC000049666754 179276645 /nfs/dbraw/zinc/27/66/45/179276645.db2.gz HTQMNEZYOWEPOD-ZFWWWQNUSA-N 2 1 246.398 2.815 10 0 BFAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104420618 179328790 /nfs/dbraw/zinc/32/87/90/179328790.db2.gz BJDRYJCNVGNFBM-RZLSGREXSA-N 2 1 246.398 2.971 10 0 BFAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104420618 179328793 /nfs/dbraw/zinc/32/87/93/179328793.db2.gz BJDRYJCNVGNFBM-RZLSGREXSA-N 2 1 246.398 2.971 10 0 BFAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000043033539 179328910 /nfs/dbraw/zinc/32/89/10/179328910.db2.gz LINCIIWFZAGVKR-UKRRQHHQSA-N 2 1 232.371 2.869 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+]1CCC[C@@H]1C ZINC000043035858 179346804 /nfs/dbraw/zinc/34/68/04/179346804.db2.gz WZSCFORODBZRDO-GUTXKFCHSA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+]1CCC[C@@H]1C ZINC000043035858 179346806 /nfs/dbraw/zinc/34/68/06/179346806.db2.gz WZSCFORODBZRDO-GUTXKFCHSA-N 2 1 232.371 2.868 10 0 BFAEMP CCC[N@H+](C)C[C@@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669384922 538018159 /nfs/dbraw/zinc/01/81/59/538018159.db2.gz NQPYNOZUWAZHSH-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP CCC[N@@H+](C)C[C@@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669384922 538018166 /nfs/dbraw/zinc/01/81/66/538018166.db2.gz NQPYNOZUWAZHSH-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP Cc1[nH+]cn(CC[NH2+]CC2CCCCC2)c1C ZINC000053535724 180287012 /nfs/dbraw/zinc/28/70/12/180287012.db2.gz YAXCQTZCXJMNAI-UHFFFAOYSA-N 2 1 235.375 2.670 10 0 BFAEMP CCC[C@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000084424678 350752050 /nfs/dbraw/zinc/75/20/50/350752050.db2.gz IEFJLFNDOUFGPK-HNNXBMFYSA-N 2 1 232.371 2.780 10 0 BFAEMP CCC[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000084424678 350752054 /nfs/dbraw/zinc/75/20/54/350752054.db2.gz IEFJLFNDOUFGPK-HNNXBMFYSA-N 2 1 232.371 2.780 10 0 BFAEMP CC(C)(C)[N@H+]1CCC[C@@H](c2ncc[nH]2)CC1 ZINC000616600261 350779068 /nfs/dbraw/zinc/77/90/68/350779068.db2.gz BEPGVZUSFCNTSE-LLVKDONJSA-N 2 1 221.348 2.778 10 0 BFAEMP CC[C@H](C[NH2+]C)[N@H+](Cc1ccccc1)C(C)C ZINC000052417161 350992024 /nfs/dbraw/zinc/99/20/24/350992024.db2.gz OEKRBEJQOAXLFS-OAHLLOKOSA-N 2 1 234.387 2.895 10 0 BFAEMP CC[C@H](C[NH2+]C)[N@@H+](Cc1ccccc1)C(C)C ZINC000052417161 350992026 /nfs/dbraw/zinc/99/20/26/350992026.db2.gz OEKRBEJQOAXLFS-OAHLLOKOSA-N 2 1 234.387 2.895 10 0 BFAEMP C[N@@H+](Cc1ccccc1)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270797 538102883 /nfs/dbraw/zinc/10/28/83/538102883.db2.gz UAAHMOICEVLKDT-PCKAHOCUSA-N 2 1 244.382 2.778 10 0 BFAEMP CC[C@H](CC[NH3+])[N@@H+](Cc1ccccc1)C1CC1 ZINC000036128202 188112761 /nfs/dbraw/zinc/11/27/61/188112761.db2.gz CBFWJUKTHZQEBF-CQSZACIVSA-N 2 1 232.371 2.778 10 0 BFAEMP C[C@H](C[NH3+])Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000039076905 358485159 /nfs/dbraw/zinc/48/51/59/358485159.db2.gz DVZLCKWGOXAODS-MRVPVSSYSA-N 2 1 235.718 2.647 10 0 BFAEMP C[C@@H]1CCC[N@@H+](C2CC3(C2)CC[NH2+]CC3)[C@H]1C ZINC000675069273 538498133 /nfs/dbraw/zinc/49/81/33/538498133.db2.gz DVIPKKBDSCCIGT-OLZOCXBDSA-N 2 1 236.403 2.639 10 0 BFAEMP CCC[NH2+]CC[C@@H]1CCCC[N@H+]1CCC ZINC000584627511 358297155 /nfs/dbraw/zinc/29/71/55/358297155.db2.gz TZBDMTJNJIUJTR-ZDUSSCGKSA-N 2 1 212.381 2.641 10 0 BFAEMP CC[C@@H]1CC[C@H](CC[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000584652401 358307643 /nfs/dbraw/zinc/30/76/43/358307643.db2.gz JOLHHPBOZQCLKE-HUUCEWRRSA-N 2 1 238.419 2.983 10 0 BFAEMP CC(C)(C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683869 360268754 /nfs/dbraw/zinc/26/87/54/360268754.db2.gz DHOMAVAMWADMAX-AWEZNQCLSA-N 2 1 238.419 2.840 10 0 BFAEMP CC(C)C[C@H](C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000306570572 360454171 /nfs/dbraw/zinc/45/41/71/360454171.db2.gz ZAQDARPFRZQPJZ-DZGCQCFKSA-N 2 1 234.387 2.786 10 0 BFAEMP CC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000306603860 360532554 /nfs/dbraw/zinc/53/25/54/360532554.db2.gz XXDDAPSXPJJOQQ-IUODEOHRSA-N 2 1 245.370 2.626 10 0 BFAEMP [NH3+]C1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095077335 181342099 /nfs/dbraw/zinc/34/20/99/181342099.db2.gz QUNKPKKPFKEIJR-UHFFFAOYSA-N 2 1 244.382 2.780 10 0 BFAEMP [NH3+]CCCCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000049580706 181375538 /nfs/dbraw/zinc/37/55/38/181375538.db2.gz XIOQWVZOGOWLFW-UHFFFAOYSA-N 2 1 232.371 2.780 10 0 BFAEMP [NH3+]CCC[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000104429990 181385794 /nfs/dbraw/zinc/38/57/94/181385794.db2.gz PXZJNSKXTVYZCL-AWEZNQCLSA-N 2 1 236.334 2.529 10 0 BFAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000104429994 181386107 /nfs/dbraw/zinc/38/61/07/181386107.db2.gz PXZJNSKXTVYZCL-CQSZACIVSA-N 2 1 236.334 2.529 10 0 BFAEMP CC[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839828 369181833 /nfs/dbraw/zinc/18/18/33/369181833.db2.gz LKKOIISGYQQKBU-AEGPPILISA-N 2 1 232.371 2.664 10 0 BFAEMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839831 369183717 /nfs/dbraw/zinc/18/37/17/369183717.db2.gz LKKOIISGYQQKBU-VHDGCEQUSA-N 2 1 232.371 2.664 10 0 BFAEMP C[N@H+](Cc1ccccc1)[C@@](C)(C[NH3+])CC1CC1 ZINC000229705289 372184112 /nfs/dbraw/zinc/18/41/12/372184112.db2.gz BGYXCLGGHQTEBA-OAHLLOKOSA-N 2 1 232.371 2.636 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@@](C)(C[NH3+])CC1CC1 ZINC000229705289 372184118 /nfs/dbraw/zinc/18/41/18/372184118.db2.gz BGYXCLGGHQTEBA-OAHLLOKOSA-N 2 1 232.371 2.636 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073654023 169208257 /nfs/dbraw/zinc/20/82/57/169208257.db2.gz XOMLVCHCRRGORR-KGLIPLIRSA-N 2 1 224.392 2.593 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH+](CC)CC)C[C@@H]1C ZINC000073655968 169208425 /nfs/dbraw/zinc/20/84/25/169208425.db2.gz RAKQYTWEXQVFNT-STQMWFEESA-N 2 1 212.381 2.591 10 0 BFAEMP CCC[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000037537148 169255870 /nfs/dbraw/zinc/25/58/70/169255870.db2.gz BQESKCVHWWXEJS-UHFFFAOYSA-N 2 1 246.398 2.959 10 0 BFAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417572 169260449 /nfs/dbraw/zinc/26/04/49/169260449.db2.gz WHFFCDMQVDSWRV-CQSZACIVSA-N 2 1 234.387 2.897 10 0 BFAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000053031420 169262717 /nfs/dbraw/zinc/26/27/17/169262717.db2.gz NRVOHILIAOJYQH-HNNXBMFYSA-N 2 1 246.398 2.817 10 0 BFAEMP CCC[NH2+]C[C@@](C)(C[NH+](C)C)c1ccccc1 ZINC000051214426 169263582 /nfs/dbraw/zinc/26/35/82/169263582.db2.gz AUSJOXBKXLMZBC-HNNXBMFYSA-N 2 1 234.387 2.506 10 0 BFAEMP CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000082646684 169275848 /nfs/dbraw/zinc/27/58/48/169275848.db2.gz RDANJHDVDQPYMF-UONOGXRCSA-N 2 1 226.408 2.743 10 0 BFAEMP CCC[C@@H](C)[N@@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000036790016 169365573 /nfs/dbraw/zinc/36/55/73/169365573.db2.gz GIFCSTQLLIITSW-LLVKDONJSA-N 2 1 238.350 2.905 10 0 BFAEMP CCCC[N@H+]1CC[C@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858859 134370438 /nfs/dbraw/zinc/37/04/38/134370438.db2.gz WNEWJZZFUPXPLD-KBPBESRZSA-N 2 1 226.408 2.743 10 0 BFAEMP C[C@@H]1[C@@H](C)[C@H](C)[C@H]([NH3+])[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593253 384003220 /nfs/dbraw/zinc/00/32/20/384003220.db2.gz XHQDHKBQLIGGBO-HAFSJTIUSA-N 2 1 246.398 2.879 10 0 BFAEMP [NH3+]C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000095077543 384353022 /nfs/dbraw/zinc/35/30/22/384353022.db2.gz HCOHDXPCJRZNOY-HOTGVXAUSA-N 2 1 244.382 2.638 10 0 BFAEMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000095068314 384330476 /nfs/dbraw/zinc/33/04/76/384330476.db2.gz KYTWHDVLBNFCRS-DCAQKATOSA-N 2 1 224.373 2.669 10 0 BFAEMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000095068312 384330975 /nfs/dbraw/zinc/33/09/75/384330975.db2.gz KYTWHDVLBNFCRS-GARJFASQSA-N 2 1 224.373 2.669 10 0 BFAEMP CCCC[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000171139006 385469550 /nfs/dbraw/zinc/46/95/50/385469550.db2.gz YFSHRLOCYOAADO-AWEZNQCLSA-N 2 1 247.386 2.924 10 0 BFAEMP CCCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171139006 385469557 /nfs/dbraw/zinc/46/95/57/385469557.db2.gz YFSHRLOCYOAADO-AWEZNQCLSA-N 2 1 247.386 2.924 10 0 BFAEMP CCCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171139006 385469564 /nfs/dbraw/zinc/46/95/64/385469564.db2.gz YFSHRLOCYOAADO-AWEZNQCLSA-N 2 1 247.386 2.924 10 0 BFAEMP C[C@H](CC1CCCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415048069 386535106 /nfs/dbraw/zinc/53/51/06/386535106.db2.gz BYYSBDKNEISRRV-UMVBOHGHSA-N 2 1 238.419 2.872 10 0 BFAEMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396588719 386778015 /nfs/dbraw/zinc/77/80/15/386778015.db2.gz IWFBLIXCKFAGHU-JHJVBQTASA-N 2 1 226.408 2.931 10 0 BFAEMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396600266 386784874 /nfs/dbraw/zinc/78/48/74/386784874.db2.gz ANXJVLGRWGYFFA-OFQRWUPVSA-N 2 1 246.398 2.656 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423363618 387215549 /nfs/dbraw/zinc/21/55/49/387215549.db2.gz ARGRGVWWBLZPJX-NILFDRSVSA-N 2 1 236.403 2.685 10 0 BFAEMP C[C@@H]1C[N@H+]([C@@H]2CCC23CCCC3)C[C@@]1(C)C[NH3+] ZINC000423502181 387342585 /nfs/dbraw/zinc/34/25/85/387342585.db2.gz CIWAGLNXYXKLHD-MGPQQGTHSA-N 2 1 236.403 2.626 10 0 BFAEMP CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633222 387858499 /nfs/dbraw/zinc/85/84/99/387858499.db2.gz HRQUHTHZZDSPMN-OWCLPIDISA-N 2 1 244.382 2.631 10 0 BFAEMP C[C@@H]1C[N@H+]([C@H]2CCCC(C)(C)C2)C[C@@]1(C)C[NH3+] ZINC000310065849 388475695 /nfs/dbraw/zinc/47/56/95/388475695.db2.gz BHZBIWRWDCANEB-VNHYZAJKSA-N 2 1 238.419 2.872 10 0 BFAEMP CCc1cc(N[C@H]2CCC[N@H+](CC)C2)cc[nH+]1 ZINC000307774103 388425848 /nfs/dbraw/zinc/42/58/48/388425848.db2.gz RAPJGTIVTZGVAW-AWEZNQCLSA-N 2 1 233.359 2.540 10 0 BFAEMP CC[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128184732 132299737 /nfs/dbraw/zinc/29/97/37/132299737.db2.gz PQCOKSFLPPIOTF-GFCCVEGCSA-N 2 1 247.386 2.747 10 0 BFAEMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000335967922 134028694 /nfs/dbraw/zinc/02/86/94/134028694.db2.gz JSDWOQVPCMMEOU-KGLIPLIRSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000335967922 134028695 /nfs/dbraw/zinc/02/86/95/134028695.db2.gz JSDWOQVPCMMEOU-KGLIPLIRSA-N 2 1 236.403 2.735 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](C)C1 ZINC000226858766 134370150 /nfs/dbraw/zinc/37/01/50/134370150.db2.gz UFSKSAVKHXINDY-UONOGXRCSA-N 2 1 224.392 2.593 10 0 BFAEMP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c(C)c1 ZINC000227191951 134375120 /nfs/dbraw/zinc/37/51/20/134375120.db2.gz CAWSZWNQRSXDKK-CZUORRHYSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c(C)c1 ZINC000227191951 134375121 /nfs/dbraw/zinc/37/51/21/134375121.db2.gz CAWSZWNQRSXDKK-CZUORRHYSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1ccc(C)c(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000227191838 134375298 /nfs/dbraw/zinc/37/52/98/134375298.db2.gz DTTRWIOLMIQGBY-GOEBONIOSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000227191838 134375299 /nfs/dbraw/zinc/37/52/99/134375299.db2.gz DTTRWIOLMIQGBY-GOEBONIOSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1c[nH+]ccc1N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248657385 135018776 /nfs/dbraw/zinc/01/87/76/135018776.db2.gz AJWRORDXUWZQCE-TZMCWYRMSA-N 2 1 233.359 2.531 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000250749311 135058493 /nfs/dbraw/zinc/05/84/93/135058493.db2.gz NHYJZRVGCJQECM-GJZGRUSLSA-N 2 1 232.371 2.677 10 0 BFAEMP CC1(C)C[N@@H+](CC2CCCCC2)CC[C@H]1[NH3+] ZINC000258604584 135132753 /nfs/dbraw/zinc/13/27/53/135132753.db2.gz AJIBGRDICBEIIY-CYBMUJFWSA-N 2 1 224.392 2.626 10 0 BFAEMP Cc1ccsc1C[N@@H+]1CC[C@@H](C)C[C@H]1CN ZINC000261534281 135166979 /nfs/dbraw/zinc/16/69/79/135166979.db2.gz PJDLPIZLVOAUAH-PWSUYJOCSA-N 2 1 238.400 2.616 10 0 BFAEMP Cc1ccsc1C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261534281 135166980 /nfs/dbraw/zinc/16/69/80/135166980.db2.gz PJDLPIZLVOAUAH-PWSUYJOCSA-N 2 1 238.400 2.616 10 0 BFAEMP Cc1ccsc1C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261534281 135166982 /nfs/dbraw/zinc/16/69/82/135166982.db2.gz PJDLPIZLVOAUAH-PWSUYJOCSA-N 2 1 238.400 2.616 10 0 BFAEMP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538106 135175917 /nfs/dbraw/zinc/17/59/17/135175917.db2.gz CGQBZCNRZOXNEK-NWDGAFQWSA-N 2 1 246.345 2.625 10 0 BFAEMP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261538106 135175919 /nfs/dbraw/zinc/17/59/19/135175919.db2.gz CGQBZCNRZOXNEK-NWDGAFQWSA-N 2 1 246.345 2.625 10 0 BFAEMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H](C)[NH3+])s1 ZINC000261566878 135208333 /nfs/dbraw/zinc/20/83/33/135208333.db2.gz DRKXFBJWCKEANS-GXSJLCMTSA-N 2 1 224.373 2.541 10 0 BFAEMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](C)[NH3+])s1 ZINC000261566878 135208335 /nfs/dbraw/zinc/20/83/35/135208335.db2.gz DRKXFBJWCKEANS-GXSJLCMTSA-N 2 1 224.373 2.541 10 0 BFAEMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261567792 135209327 /nfs/dbraw/zinc/20/93/27/135209327.db2.gz FCUDFCZNDHLBGV-LBPRGKRZSA-N 2 1 238.400 2.616 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000080434522 135374782 /nfs/dbraw/zinc/37/47/82/135374782.db2.gz ALHSOBFTRINJJL-LXTVHRRPSA-N 2 1 236.403 2.782 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000080434522 135374786 /nfs/dbraw/zinc/37/47/86/135374786.db2.gz ALHSOBFTRINJJL-LXTVHRRPSA-N 2 1 236.403 2.782 10 0 BFAEMP CC(C)C[NH2+][C@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 ZINC000073656333 167015325 /nfs/dbraw/zinc/01/53/25/167015325.db2.gz NKTOUSHHUKBFNH-KGLIPLIRSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000037477340 167105310 /nfs/dbraw/zinc/10/53/10/167105310.db2.gz MGJVWDCVRJEUEA-KBPBESRZSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)[NH2+]CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000037477340 167105314 /nfs/dbraw/zinc/10/53/14/167105314.db2.gz MGJVWDCVRJEUEA-KBPBESRZSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@H]([NH3+])C[C@H](C)Nc1[nH+]ccc2ccccc21 ZINC000228267414 487601560 /nfs/dbraw/zinc/60/15/60/487601560.db2.gz FVKQCIGYHNZKBG-QWRGUYRKSA-N 2 1 229.327 2.773 10 0 BFAEMP CC(C)C[NH2+]C[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000053030987 167008179 /nfs/dbraw/zinc/00/81/79/167008179.db2.gz NWLSNPQEXXVRFD-OAHLLOKOSA-N 2 1 238.419 2.744 10 0 BFAEMP CC(C)[NH2+]C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557224 167092266 /nfs/dbraw/zinc/09/22/66/167092266.db2.gz UHGADAVNWASNHK-UHFFFAOYSA-N 2 1 212.381 2.528 10 0 BFAEMP CC(C)[NH2+]Cc1ccoc1C[N@@H+](C)C(C)C ZINC000052419540 167121119 /nfs/dbraw/zinc/12/11/19/167121119.db2.gz SXTOEEWZIWPLOA-UHFFFAOYSA-N 2 1 224.348 2.618 10 0 BFAEMP CC1CCC([N@@H+](C)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000042488245 168158859 /nfs/dbraw/zinc/15/88/59/168158859.db2.gz NGTCSYDLGZKJDL-MOKVOYLWSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+]C1CC[NH+]([C@@H](C)c2cccs2)CC1 ZINC000037483669 170109171 /nfs/dbraw/zinc/10/91/71/170109171.db2.gz SRHQATCDZACPHO-NSHDSACASA-N 2 1 238.400 2.883 10 0 BFAEMP CC[NH2+]CC1(C[N@@H+](C)C[C@H]2C[C@@H]2C)CCCC1 ZINC000104410732 170111227 /nfs/dbraw/zinc/11/12/27/170111227.db2.gz LORUVOLBWFUQOC-UONOGXRCSA-N 2 1 238.419 2.744 10 0 BFAEMP CC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000052547152 170117637 /nfs/dbraw/zinc/11/76/37/170117637.db2.gz SNZKRLLHRZXQJO-AWEZNQCLSA-N 2 1 234.387 2.815 10 0 BFAEMP CC[NH2+]C[C@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000053034219 170123110 /nfs/dbraw/zinc/12/31/10/170123110.db2.gz DIKRLGBJPANRPI-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP CC[NH2+][C@@H](C)c1ccccc1-n1cc[nH+]c1C ZINC000034663908 170141582 /nfs/dbraw/zinc/14/15/82/170141582.db2.gz UEZVYVTXIUVLTL-NSHDSACASA-N 2 1 229.327 2.851 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)[C@H](C)C1 ZINC000049708935 170152014 /nfs/dbraw/zinc/15/20/14/170152014.db2.gz DHYAABRHHPHLLF-GDBMZVCRSA-N 2 1 246.398 2.692 10 0 BFAEMP CC[NH2+][C@H]1CCCCC[C@H]1n1cc[nH+]c1C ZINC000043994171 170165887 /nfs/dbraw/zinc/16/58/87/170165887.db2.gz BPWXTEZRSQFTKU-QWHCGFSZSA-N 2 1 221.348 2.675 10 0 BFAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860434 170166788 /nfs/dbraw/zinc/16/67/88/170166788.db2.gz XUIBGGRSSRYAHN-BARDWOONSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1C ZINC000049713038 170166913 /nfs/dbraw/zinc/16/69/13/170166913.db2.gz BMYWZCWOHXONCX-ZFWWWQNUSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](C2CCC(CC)CC2)C1 ZINC000042580724 170167010 /nfs/dbraw/zinc/16/70/10/170167010.db2.gz NOIZOQGXDYJLBH-MOKVOYLWSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](C2CCC(CC)CC2)C1 ZINC000042580724 170167011 /nfs/dbraw/zinc/16/70/11/170167011.db2.gz NOIZOQGXDYJLBH-MOKVOYLWSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](Cc2ccc(C)cc2)C[C@@H]1C ZINC000049708884 170167790 /nfs/dbraw/zinc/16/77/90/170167790.db2.gz JCIJCLIWIHMXCU-HOCLYGCPSA-N 2 1 246.398 2.815 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2ccc(C)cc2)C[C@@H]1C ZINC000049708884 170167792 /nfs/dbraw/zinc/16/77/92/170167792.db2.gz JCIJCLIWIHMXCU-HOCLYGCPSA-N 2 1 246.398 2.815 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1C ZINC000049708914 170168244 /nfs/dbraw/zinc/16/82/44/170168244.db2.gz WFBMQFPSDYQANQ-HOCLYGCPSA-N 2 1 246.398 2.549 10 0 BFAEMP CC[C@@H](CC(F)F)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000662266522 412058915 /nfs/dbraw/zinc/05/89/15/412058915.db2.gz ICIXVXLQVCYBIC-RYUDHWBXSA-N 2 1 248.361 2.742 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)CCC[NH2+]1 ZINC000049666824 171011106 /nfs/dbraw/zinc/01/11/06/171011106.db2.gz MMXAUXOSCZYNNL-MRXNPFEDSA-N 2 1 246.398 2.959 10 0 BFAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)CC[NH2+]1 ZINC000049661323 171013476 /nfs/dbraw/zinc/01/34/76/171013476.db2.gz WXOUSSYGPZANEZ-DZGCQCFKSA-N 2 1 232.371 2.822 10 0 BFAEMP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)CC[NH2+]1 ZINC000049661323 171013478 /nfs/dbraw/zinc/01/34/78/171013478.db2.gz WXOUSSYGPZANEZ-DZGCQCFKSA-N 2 1 232.371 2.822 10 0 BFAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)CCC[NH2+]1 ZINC000049666691 171014947 /nfs/dbraw/zinc/01/49/47/171014947.db2.gz JAANUJSFFNULSK-DZGCQCFKSA-N 2 1 247.386 2.607 10 0 BFAEMP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccncc2)CCC[NH2+]1 ZINC000049666691 171014950 /nfs/dbraw/zinc/01/49/50/171014950.db2.gz JAANUJSFFNULSK-DZGCQCFKSA-N 2 1 247.386 2.607 10 0 BFAEMP CC[C@@]1(C[NH+]2Cc3ccccc3C2)CCC[NH2+]C1 ZINC000062867895 171210361 /nfs/dbraw/zinc/21/03/61/171210361.db2.gz REHYEGXWNUGFQD-MRXNPFEDSA-N 2 1 244.382 2.782 10 0 BFAEMP CC[C@H](C)C[N@@H+](C)Cc1ccccc1C[NH2+]C ZINC000052454414 171275279 /nfs/dbraw/zinc/27/52/79/171275279.db2.gz RGZYIBYZZQRLMG-ZDUSSCGKSA-N 2 1 234.387 2.884 10 0 BFAEMP CC[C@H](C)[N@@H+](CC)Cc1cc(C[NH2+]C)c(C)o1 ZINC000052451000 171311727 /nfs/dbraw/zinc/31/17/27/171311727.db2.gz WOFPNSVIERXMGG-NSHDSACASA-N 2 1 238.375 2.928 10 0 BFAEMP CC[C@H](C)[N@H+](CC[NH3+])Cc1cccc(C)c1 ZINC000032013800 171314360 /nfs/dbraw/zinc/31/43/60/171314360.db2.gz XKPQVFRGNDCLGE-ZDUSSCGKSA-N 2 1 220.360 2.554 10 0 BFAEMP CC[C@H](C)[N@@H+](CC[NH3+])Cc1cccc(C)c1 ZINC000032013800 171314361 /nfs/dbraw/zinc/31/43/61/171314361.db2.gz XKPQVFRGNDCLGE-ZDUSSCGKSA-N 2 1 220.360 2.554 10 0 BFAEMP CC[C@H](C)[C@@H]([NH3+])C[N@H+](CC)Cc1ccccc1 ZINC000020486646 171372135 /nfs/dbraw/zinc/37/21/35/171372135.db2.gz YVNUMNOIPTYFKG-ZFWWWQNUSA-N 2 1 234.387 2.882 10 0 BFAEMP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](CC)Cc1ccccc1 ZINC000020486646 171372137 /nfs/dbraw/zinc/37/21/37/171372137.db2.gz YVNUMNOIPTYFKG-ZFWWWQNUSA-N 2 1 234.387 2.882 10 0 BFAEMP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)n1cc[nH+]c1C ZINC000042915857 171487294 /nfs/dbraw/zinc/48/72/94/171487294.db2.gz ZFHPSNACCJHKJJ-UONOGXRCSA-N 2 1 247.317 2.657 10 0 BFAEMP CC[C@H]([NH3+])[C@@H](c1ccccc1F)n1cc[nH+]c1C ZINC000043046129 171488214 /nfs/dbraw/zinc/48/82/14/171488214.db2.gz UIZDRFRDBIFSFQ-UONOGXRCSA-N 2 1 247.317 2.657 10 0 BFAEMP C[NH2+]C[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000663280301 412408365 /nfs/dbraw/zinc/40/83/65/412408365.db2.gz IAHOVGCEWGHUTA-VIFPVBQESA-N 2 1 249.745 2.908 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042967872 172028830 /nfs/dbraw/zinc/02/88/30/172028830.db2.gz XPLAUOKVYJGALV-DOMZBBRYSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042967871 172029419 /nfs/dbraw/zinc/02/94/19/172029419.db2.gz XPLAUOKVYJGALV-IUODEOHRSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@@H]1CCCCC[C@H]1[NH2+]C ZINC000044037112 172029602 /nfs/dbraw/zinc/02/96/02/172029602.db2.gz RUOWNAMLTAOGDY-VXGBXAGGSA-N 2 1 221.348 2.539 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043038042 172029664 /nfs/dbraw/zinc/02/96/64/172029664.db2.gz ONPUJBVZRWRMRJ-WFASDCNBSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042916014 172029699 /nfs/dbraw/zinc/02/96/99/172029699.db2.gz XSGHGBNHOUBEJE-HZMBPMFUSA-N 2 1 247.317 2.521 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042947685 172030024 /nfs/dbraw/zinc/03/00/24/172030024.db2.gz AWMOETANLQVSDT-LBPRGKRZSA-N 2 1 249.745 2.647 10 0 BFAEMP C[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])C1CCCCC1 ZINC000062992206 173005931 /nfs/dbraw/zinc/00/59/31/173005931.db2.gz QPFBZVVZARPPHI-CYBMUJFWSA-N 2 1 237.391 2.618 10 0 BFAEMP C[N@H+]1CCCC[C@@H]1CNC(=[NH2+])C1CCCCC1 ZINC000062992206 173005934 /nfs/dbraw/zinc/00/59/34/173005934.db2.gz QPFBZVVZARPPHI-CYBMUJFWSA-N 2 1 237.391 2.618 10 0 BFAEMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000037646359 173118587 /nfs/dbraw/zinc/11/85/87/173118587.db2.gz FBWXMKCWCSBGES-XJKSGUPXSA-N 2 1 244.382 2.605 10 0 BFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC1CCCCC1)C2 ZINC000037259283 173206310 /nfs/dbraw/zinc/20/63/10/173206310.db2.gz GJEPMTXNYYMCHO-GOOCMWNKSA-N 2 1 236.403 2.782 10 0 BFAEMP C[NH2+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095075963 173358300 /nfs/dbraw/zinc/35/83/00/173358300.db2.gz GXDDFTODYOACGW-HNNXBMFYSA-N 2 1 232.371 2.508 10 0 BFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cccs2)C1 ZINC000040592490 173378568 /nfs/dbraw/zinc/37/85/68/173378568.db2.gz HHASXEYJBCQGSF-NWDGAFQWSA-N 2 1 238.400 2.741 10 0 BFAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(C)s2)C1 ZINC000053031908 173381267 /nfs/dbraw/zinc/38/12/67/173381267.db2.gz BQCRBSLHPAEUMC-VXGBXAGGSA-N 2 1 238.400 2.659 10 0 BFAEMP C[NH2+]Cc1cc(C[N@@H+](C)CC(C)(C)C)oc1C ZINC000052570069 173387032 /nfs/dbraw/zinc/38/70/32/173387032.db2.gz QZAALEAOTLYIOE-UHFFFAOYSA-N 2 1 238.375 2.785 10 0 BFAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000052381615 173390754 /nfs/dbraw/zinc/39/07/54/173390754.db2.gz YLNYDFAMLGUUNJ-ZDUSSCGKSA-N 2 1 232.371 2.638 10 0 BFAEMP C[C@@H]1CCC[N@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037911172 176108171 /nfs/dbraw/zinc/10/81/71/176108171.db2.gz XAOXFBNTEYRUFR-OCCSQVGLSA-N 2 1 218.344 2.561 10 0 BFAEMP C[C@@H]1CC[N@@H+](CCC2CCCC2)CCC[NH2+]1 ZINC000049666881 176168002 /nfs/dbraw/zinc/16/80/02/176168002.db2.gz YZRFBMHERIOLKZ-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@H](C[N@H+]1CC[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000053940500 176171638 /nfs/dbraw/zinc/17/16/38/176171638.db2.gz AWLUUWWSVNQKCW-NFAWXSAZSA-N 2 1 232.371 2.664 10 0 BFAEMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@H](C)C1 ZINC000051729989 176174599 /nfs/dbraw/zinc/17/45/99/176174599.db2.gz KFBIMPJNTMHIDI-CHWSQXEVSA-N 2 1 232.371 2.766 10 0 BFAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CC1CCCCC1 ZINC000042427270 176224391 /nfs/dbraw/zinc/22/43/91/176224391.db2.gz VGYIESKFFVSTQD-TZMCWYRMSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012229 177040343 /nfs/dbraw/zinc/04/03/43/177040343.db2.gz DOJWTODVVRTRTH-ZIAGYGMSSA-N 2 1 244.382 2.822 10 0 BFAEMP C[C@H](c1ccccc1F)[N@@H+](C)CCCC(N)=[NH2+] ZINC000062014886 177041579 /nfs/dbraw/zinc/04/15/79/177041579.db2.gz DLVCEFCBPWEAEL-SNVBAGLBSA-N 2 1 237.322 2.535 10 0 BFAEMP C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071249717 177077448 /nfs/dbraw/zinc/07/74/48/177077448.db2.gz BUGAYSCQMNAACJ-NSHDSACASA-N 2 1 236.334 2.659 10 0 BFAEMP C[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CC1CCC1 ZINC000061486494 177088514 /nfs/dbraw/zinc/08/85/14/177088514.db2.gz SWSYTOMEKNDSNS-DZGCQCFKSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CC1CCC1 ZINC000061486494 177088515 /nfs/dbraw/zinc/08/85/15/177088515.db2.gz SWSYTOMEKNDSNS-DZGCQCFKSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1CCC[N@@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000053861948 177099971 /nfs/dbraw/zinc/09/99/71/177099971.db2.gz JGQZZMHHCGQKGJ-IHRRRGAJSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@@H](N)[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1C ZINC000043044225 177111498 /nfs/dbraw/zinc/11/14/98/177111498.db2.gz ZZGAUKRBGMMYSB-MISXGVKJSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](N)[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]1C ZINC000043044225 177111500 /nfs/dbraw/zinc/11/15/00/177111500.db2.gz ZZGAUKRBGMMYSB-MISXGVKJSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C(C)(C)C ZINC000042302497 177116657 /nfs/dbraw/zinc/11/66/57/177116657.db2.gz KURLVOYIDRWHSV-TXEJJXNPSA-N 2 1 212.381 2.637 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C(C)(C)C ZINC000042302497 177116658 /nfs/dbraw/zinc/11/66/58/177116658.db2.gz KURLVOYIDRWHSV-TXEJJXNPSA-N 2 1 212.381 2.637 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000058081499 177116688 /nfs/dbraw/zinc/11/66/88/177116688.db2.gz YHOBHJWFYLLUOD-CRWXNKLISA-N 2 1 224.392 2.767 10 0 BFAEMP C[C@H]1CCCC[C@@H]1[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665310 177285590 /nfs/dbraw/zinc/28/55/90/177285590.db2.gz PDMQRKNUFNVTAE-XGUBFFRZSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@H]1CCCC[C@H]1[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665313 177285781 /nfs/dbraw/zinc/28/57/81/177285781.db2.gz PDMQRKNUFNVTAE-LJISPDSOSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CCCC1CCCCC1 ZINC000395127605 323188264 /nfs/dbraw/zinc/18/82/64/323188264.db2.gz ORPJBNINORZZMJ-GXTWGEPZSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CCCC1CCCCC1 ZINC000395127605 323188265 /nfs/dbraw/zinc/18/82/65/323188265.db2.gz ORPJBNINORZZMJ-GXTWGEPZSA-N 2 1 224.392 2.768 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757134932 582512952 /nfs/dbraw/zinc/51/29/52/582512952.db2.gz XKCXQDILYZKMNP-RDBSUJKOSA-N 2 1 224.392 2.782 10 0 BFAEMP CC[NH+](CC)[C@H]1CC[N@@H+](CC(C)C)C[C@H]1C ZINC000242750546 520871974 /nfs/dbraw/zinc/87/19/74/520871974.db2.gz ZSEDGOMMGFNNGK-KGLIPLIRSA-N 2 1 226.408 2.695 10 0 BFAEMP C[N@@H+](C[C@H]1CCCC(F)(F)C1)CC(C)(C)C[NH3+] ZINC000261538265 536443568 /nfs/dbraw/zinc/44/35/68/536443568.db2.gz UZZNVFVGDYAMOR-NSHDSACASA-N 2 1 248.361 2.729 10 0 BFAEMP C[N@@H+](C1CCCCC1)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000675052896 566412301 /nfs/dbraw/zinc/41/23/01/566412301.db2.gz BXYTUQCTSFCWET-JSGCOSHPSA-N 2 1 224.392 2.768 10 0 BFAEMP CCC[C@@H](C)[N@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757129893 582504893 /nfs/dbraw/zinc/50/48/93/582504893.db2.gz NBLUBLPWOUGPDM-UKRRQHHQSA-N 2 1 236.403 2.735 10 0 BFAEMP CC1(c2ccc([C@@H]3CC[NH2+][C@@H](C[NH3+])C3)cc2)CC1 ZINC000757212732 582560771 /nfs/dbraw/zinc/56/07/71/582560771.db2.gz JSKXHJXLJIBRNF-UKRRQHHQSA-N 2 1 244.382 2.532 10 0 BFAEMP Cc1cc[nH+]c(NCc2ccc(CC[NH3+])cc2)c1 ZINC000052899282 632517871 /nfs/dbraw/zinc/51/78/71/632517871.db2.gz HZGJTOHLSLFQEV-UHFFFAOYSA-N 2 1 241.338 2.503 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC[C@@H]2C ZINC000685954536 538899226 /nfs/dbraw/zinc/89/92/26/538899226.db2.gz NTFYYIIXNDEPSB-XDQVBPFNSA-N 2 1 224.392 2.624 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000685955068 538899723 /nfs/dbraw/zinc/89/97/23/538899723.db2.gz RWDCVWBVCJJKQE-MOKVOYLWSA-N 2 1 224.392 2.624 10 0 BFAEMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)C(C)(C)C ZINC000336742710 398144081 /nfs/dbraw/zinc/14/40/81/398144081.db2.gz SGGCVDAXDJEVRD-LBPRGKRZSA-N 2 1 223.364 2.606 10 0 BFAEMP C[N@@H+](C[C@@H]1CCCCC1(F)F)CC(C)(C)C[NH3+] ZINC000381584115 398254033 /nfs/dbraw/zinc/25/40/33/398254033.db2.gz CGKPNIOZJVKERC-NSHDSACASA-N 2 1 248.361 2.729 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915987 168376322 /nfs/dbraw/zinc/37/63/22/168376322.db2.gz MJFDYYOKWORDGE-OCCSQVGLSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[N@@H+]1C[C@H](N[C@H](C)c2ccsc2)[C@@H](C)C1 ZINC000381656294 539005633 /nfs/dbraw/zinc/00/56/33/539005633.db2.gz FIGWMCQYEIEZPB-LOWVWBTDSA-N 2 1 238.400 2.739 10 0 BFAEMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccsc2)C1 ZINC000381656292 539005666 /nfs/dbraw/zinc/00/56/66/539005666.db2.gz FIGWMCQYEIEZPB-GMXVVIOVSA-N 2 1 238.400 2.739 10 0 BFAEMP C=Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000409423396 343815423 /nfs/dbraw/zinc/81/54/23/343815423.db2.gz NYQCPQNYSAOCIV-HNNXBMFYSA-N 2 1 230.355 2.500 10 0 BFAEMP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000409434721 343835123 /nfs/dbraw/zinc/83/51/23/343835123.db2.gz ZYGARFVDEQXMSA-JKSUJKDBSA-N 2 1 244.382 2.636 10 0 BFAEMP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000409434721 343835124 /nfs/dbraw/zinc/83/51/24/343835124.db2.gz ZYGARFVDEQXMSA-JKSUJKDBSA-N 2 1 244.382 2.636 10 0 BFAEMP C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C[NH3+] ZINC000634999019 345199351 /nfs/dbraw/zinc/19/93/51/345199351.db2.gz OXEMMGOJBZQOGZ-LRDDRELGSA-N 2 1 244.382 2.591 10 0 BFAEMP Cc1cccc(C[N@H+]2CCC[NH2+]C(C)(C)C2)c1 ZINC000062615844 179073818 /nfs/dbraw/zinc/07/38/18/179073818.db2.gz ZWQFDYCIOVSJQB-UHFFFAOYSA-N 2 1 232.371 2.569 10 0 BFAEMP Cc1cccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000053881032 179066783 /nfs/dbraw/zinc/06/67/83/179066783.db2.gz DSLPWEXLQZQVAO-CABCVRRESA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1[nH+]cn([C@@H](c2cccc(C)c2)[C@@H](C)[NH3+])c1C ZINC000051925779 179188768 /nfs/dbraw/zinc/18/87/68/179188768.db2.gz GDDQMUXOKYQGIS-IAQYHMDHSA-N 2 1 243.354 2.745 10 0 BFAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC2)c1 ZINC000042966756 179188930 /nfs/dbraw/zinc/18/89/30/179188930.db2.gz CFVYJIZVWGUNQF-IUODEOHRSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000042966756 179188931 /nfs/dbraw/zinc/18/89/31/179188931.db2.gz CFVYJIZVWGUNQF-IUODEOHRSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1cccc([C@H](C[NH3+])n2cc[nH+]c2C(C)C)c1 ZINC000042967798 179200426 /nfs/dbraw/zinc/20/04/26/179200426.db2.gz VEKTTXVZGGVESM-AWEZNQCLSA-N 2 1 243.354 2.863 10 0 BFAEMP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000053859354 179270480 /nfs/dbraw/zinc/27/04/80/179270480.db2.gz BQHBBXURGOWSDM-HOTGVXAUSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1ccccc1C[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000036127802 179269132 /nfs/dbraw/zinc/26/91/32/179269132.db2.gz QDNPXXFVVLHUEJ-ZBFHGGJFSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)CC(C)C ZINC000043034517 179347777 /nfs/dbraw/zinc/34/77/77/179347777.db2.gz HRYOAXFPJKSTHN-ZFWWWQNUSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)CC(C)C ZINC000043034517 179347778 /nfs/dbraw/zinc/34/77/78/179347778.db2.gz HRYOAXFPJKSTHN-ZFWWWQNUSA-N 2 1 234.387 2.971 10 0 BFAEMP C[C@@]12CC[C@@](C)(C[C@@H]([NH3+])C1)[N@H+]2Cc1ccccc1 ZINC000616582455 349295893 /nfs/dbraw/zinc/29/58/93/349295893.db2.gz PZHVCUVKRHQEDF-MUJYYYPQSA-N 2 1 244.382 2.921 10 0 BFAEMP Cc1[nH+]ccn1[C@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000023067535 180270932 /nfs/dbraw/zinc/27/09/32/180270932.db2.gz TTWLBWQANZBFOF-LSDHHAIUSA-N 2 1 241.338 2.769 10 0 BFAEMP Cc1[nH+]ccn1[C@@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043053082 180271115 /nfs/dbraw/zinc/27/11/15/180271115.db2.gz YPXIBBOJKGDIAX-TVQRCGJNSA-N 2 1 249.745 2.782 10 0 BFAEMP CC[C@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000163509086 350523757 /nfs/dbraw/zinc/52/37/57/350523757.db2.gz PRIPLGVYFOBPDT-ZDUSSCGKSA-N 2 1 247.386 2.747 10 0 BFAEMP c1ccc(C[N@H+]2CCCN3CCCC[C@H]3C2)cc1 ZINC000250657250 350884911 /nfs/dbraw/zinc/88/49/11/350884911.db2.gz WHDHLWPFYUMRBG-INIZCTEOSA-N 2 1 244.382 2.747 10 0 BFAEMP c1ccc(CN2CCC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000250657250 350884916 /nfs/dbraw/zinc/88/49/16/350884916.db2.gz WHDHLWPFYUMRBG-INIZCTEOSA-N 2 1 244.382 2.747 10 0 BFAEMP c1ccc(CN2CCC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000250657250 350884920 /nfs/dbraw/zinc/88/49/20/350884920.db2.gz WHDHLWPFYUMRBG-INIZCTEOSA-N 2 1 244.382 2.747 10 0 BFAEMP CC1(C)C[C@@H]([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000306842267 351156017 /nfs/dbraw/zinc/15/60/17/351156017.db2.gz BQXLIEFALFGDOQ-AWEZNQCLSA-N 2 1 232.371 2.636 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000307158311 351509664 /nfs/dbraw/zinc/50/96/64/351509664.db2.gz APCZMORMBBMDBL-BZUAXINKSA-N 2 1 244.382 2.507 10 0 BFAEMP CC(C)=CC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000037186884 358469966 /nfs/dbraw/zinc/46/99/66/358469966.db2.gz SJKHTRRGVUXRJB-UHFFFAOYSA-N 2 1 236.403 2.949 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414933538 352340760 /nfs/dbraw/zinc/34/07/60/352340760.db2.gz AQPKBYLSXWAPDW-MXAVVETBSA-N 2 1 236.403 2.685 10 0 BFAEMP C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000037408409 188107456 /nfs/dbraw/zinc/10/74/56/188107456.db2.gz MAEUICXLNWNDNE-MELADBBJSA-N 2 1 236.403 2.639 10 0 BFAEMP CC(C)C[C@H](C)[N@@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000042584064 188120905 /nfs/dbraw/zinc/12/09/05/188120905.db2.gz SDMDBPKGZJAYET-LBPRGKRZSA-N 2 1 247.386 2.837 10 0 BFAEMP CC(C)[N@H+](C)[C@@H](CN)c1cccc(Cl)c1 ZINC000022215778 188179233 /nfs/dbraw/zinc/17/92/33/188179233.db2.gz YIVLHXBAOKLQDZ-LBPRGKRZSA-N 2 1 226.751 2.680 10 0 BFAEMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000390586293 357102128 /nfs/dbraw/zinc/10/21/28/357102128.db2.gz YIEGXIINZMXEQP-OLZOCXBDSA-N 2 1 226.408 2.743 10 0 BFAEMP CCC[NH2+]CC[C@H]1CCCC[N@H+]1CCC ZINC000584627510 358297388 /nfs/dbraw/zinc/29/73/88/358297388.db2.gz TZBDMTJNJIUJTR-CYBMUJFWSA-N 2 1 212.381 2.641 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000070281812 359048929 /nfs/dbraw/zinc/04/89/29/359048929.db2.gz NHYJZRVGCJQECM-HUUCEWRRSA-N 2 1 232.371 2.677 10 0 BFAEMP C[C@H]1[C@@H]([NH3+])[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000101417968 368384008 /nfs/dbraw/zinc/38/40/08/368384008.db2.gz XHQDHKBQLIGGBO-OJKRMQCYSA-N 2 1 246.398 2.879 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]CC1(C)C ZINC000306566376 372037486 /nfs/dbraw/zinc/03/74/86/372037486.db2.gz ZLRSLXGSAZTYMF-CQSZACIVSA-N 2 1 232.371 2.507 10 0 BFAEMP CCC[N@@H+](Cc1ccc(F)cc1C[NH3+])C(C)C ZINC000071250185 169175554 /nfs/dbraw/zinc/17/55/54/169175554.db2.gz JMFOTKKPQXAJFR-UHFFFAOYSA-N 2 1 238.350 2.905 10 0 BFAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCCCC2)C1 ZINC000076453351 169207665 /nfs/dbraw/zinc/20/76/65/169207665.db2.gz ZWYXTXUOOXQSAM-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP CCC[NH2+]CC[C@H](C)[N@H+](CC)Cc1ccncc1 ZINC000052515112 169261044 /nfs/dbraw/zinc/26/10/44/169261044.db2.gz WFHYWGFJQBHNJU-AWEZNQCLSA-N 2 1 249.402 2.682 10 0 BFAEMP CCC[NH2+]CC[C@H](C)[N@@H+](CC)Cc1ccncc1 ZINC000052515112 169261046 /nfs/dbraw/zinc/26/10/46/169261046.db2.gz WFHYWGFJQBHNJU-AWEZNQCLSA-N 2 1 249.402 2.682 10 0 BFAEMP CCC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccco2)C1 ZINC000053031208 169262782 /nfs/dbraw/zinc/26/27/82/169262782.db2.gz QQUPRMFIXGOGLS-STQMWFEESA-N 2 1 236.359 2.662 10 0 BFAEMP CCC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccco2)C1 ZINC000053031208 169262785 /nfs/dbraw/zinc/26/27/85/169262785.db2.gz QQUPRMFIXGOGLS-STQMWFEESA-N 2 1 236.359 2.662 10 0 BFAEMP CCC[NH2+]C[C@](C)(CC)C[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104409516 169264981 /nfs/dbraw/zinc/26/49/81/169264981.db2.gz YYUQJSYKJZVJBX-KKUMJFAQSA-N 2 1 240.435 2.990 10 0 BFAEMP CCC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccco2)C1 ZINC000053031209 169265052 /nfs/dbraw/zinc/26/50/52/169265052.db2.gz QQUPRMFIXGOGLS-QWHCGFSZSA-N 2 1 236.359 2.662 10 0 BFAEMP CCC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccco2)C1 ZINC000053031209 169265054 /nfs/dbraw/zinc/26/50/54/169265054.db2.gz QQUPRMFIXGOGLS-QWHCGFSZSA-N 2 1 236.359 2.662 10 0 BFAEMP CCC[NH2+]Cc1occc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543825 169269471 /nfs/dbraw/zinc/26/94/71/169269471.db2.gz YOBZIGGJOZJBFP-GXTWGEPZSA-N 2 1 248.370 2.764 10 0 BFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1CCC[C@H](C)C1 ZINC000053861883 169282427 /nfs/dbraw/zinc/28/24/27/169282427.db2.gz LFDWXHQLXWXSSP-RRFJBIMHSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[C@@H](C)[N@@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000036790817 169365334 /nfs/dbraw/zinc/36/53/34/169365334.db2.gz KNGBZBPKAWOVGZ-LLVKDONJSA-N 2 1 233.359 2.591 10 0 BFAEMP Cc1[nH+]ccn1-c1cccc(C2CC[NH2+]CC2)c1 ZINC000091365826 384122981 /nfs/dbraw/zinc/12/29/81/384122981.db2.gz QJHWYOGWWSWOTF-UHFFFAOYSA-N 2 1 241.338 2.648 10 0 BFAEMP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000095068315 384329097 /nfs/dbraw/zinc/32/90/97/384329097.db2.gz KYTWHDVLBNFCRS-VWYCJHECSA-N 2 1 224.373 2.669 10 0 BFAEMP C[C@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000310155277 384867250 /nfs/dbraw/zinc/86/72/50/384867250.db2.gz GWHVSGLTTHFXRJ-UMVBOHGHSA-N 2 1 232.371 2.602 10 0 BFAEMP CC(C)(CC[NH3+])[NH2+]Cc1cc(Cl)ccc1F ZINC000258853358 384947188 /nfs/dbraw/zinc/94/71/88/384947188.db2.gz NWUIOKYXDAXFIS-UHFFFAOYSA-N 2 1 244.741 2.696 10 0 BFAEMP CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000062615854 385246536 /nfs/dbraw/zinc/24/65/36/385246536.db2.gz UXJYGWHQMKGXHA-HNNXBMFYSA-N 2 1 232.371 2.507 10 0 BFAEMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]CC3)cc1 ZINC000096985140 385315193 /nfs/dbraw/zinc/31/51/93/385315193.db2.gz WJBVSOFJZOEPOL-INIZCTEOSA-N 2 1 244.382 2.652 10 0 BFAEMP C[C@H](CCCC[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000311060837 385299815 /nfs/dbraw/zinc/29/98/15/385299815.db2.gz ZCYDZAQFVMBHOX-LLVKDONJSA-N 2 1 246.358 2.503 10 0 BFAEMP CCCC[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000171139000 385470142 /nfs/dbraw/zinc/47/01/42/385470142.db2.gz YFSHRLOCYOAADO-CQSZACIVSA-N 2 1 247.386 2.924 10 0 BFAEMP CCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171139000 385470146 /nfs/dbraw/zinc/47/01/46/385470146.db2.gz YFSHRLOCYOAADO-CQSZACIVSA-N 2 1 247.386 2.924 10 0 BFAEMP CCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171139000 385470148 /nfs/dbraw/zinc/47/01/48/385470148.db2.gz YFSHRLOCYOAADO-CQSZACIVSA-N 2 1 247.386 2.924 10 0 BFAEMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000309561362 385692317 /nfs/dbraw/zinc/69/23/17/385692317.db2.gz LEAPASKXVNDMCK-AGIUHOORSA-N 2 1 226.408 2.883 10 0 BFAEMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000309561362 385692323 /nfs/dbraw/zinc/69/23/23/385692323.db2.gz LEAPASKXVNDMCK-AGIUHOORSA-N 2 1 226.408 2.883 10 0 BFAEMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000336742771 386248373 /nfs/dbraw/zinc/24/83/73/386248373.db2.gz SMTJSIQPJDEQQE-ZDUSSCGKSA-N 2 1 224.392 2.663 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423363615 387215228 /nfs/dbraw/zinc/21/52/28/387215228.db2.gz ARGRGVWWBLZPJX-CQDKDKBSSA-N 2 1 236.403 2.685 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423363619 387215980 /nfs/dbraw/zinc/21/59/80/387215980.db2.gz ARGRGVWWBLZPJX-TUKIKUTGSA-N 2 1 236.403 2.685 10 0 BFAEMP C[C@@H]1C[N@H+]([C@H]2CCC23CCCC3)C[C@@]1(C)C[NH3+] ZINC000423502180 387342855 /nfs/dbraw/zinc/34/28/55/387342855.db2.gz CIWAGLNXYXKLHD-HZSPNIEDSA-N 2 1 236.403 2.626 10 0 BFAEMP c1ccc2c(c1)cc[nH+]c2NC[C@H]1CCC[NH2+]C1 ZINC000168717464 387904795 /nfs/dbraw/zinc/90/47/95/387904795.db2.gz NUNPFORLGNANKU-LBPRGKRZSA-N 2 1 241.338 2.646 10 0 BFAEMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396654738 387933166 /nfs/dbraw/zinc/93/31/66/387933166.db2.gz FMKAJRNFJPIYRN-MQYQWHSLSA-N 2 1 224.392 2.685 10 0 BFAEMP CC[N@@H+]1CC[C@@H]([NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000245683974 388427295 /nfs/dbraw/zinc/42/72/95/388427295.db2.gz UVPHZKKETRGPHZ-GXTWGEPZSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[N@H+]1CC[C@@H]([NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000245683974 388427300 /nfs/dbraw/zinc/42/73/00/388427300.db2.gz UVPHZKKETRGPHZ-GXTWGEPZSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH+]1CC[C@@H]([N@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000245683974 388427303 /nfs/dbraw/zinc/42/73/03/388427303.db2.gz UVPHZKKETRGPHZ-GXTWGEPZSA-N 2 1 224.392 2.591 10 0 BFAEMP CC[NH+]1CC[C@@H]([N@@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000245683974 388427304 /nfs/dbraw/zinc/42/73/04/388427304.db2.gz UVPHZKKETRGPHZ-GXTWGEPZSA-N 2 1 224.392 2.591 10 0 BFAEMP C[N@@H+]1CCCC12CC[NH+](CCC(C)(F)F)CC2 ZINC000336198984 134127806 /nfs/dbraw/zinc/12/78/06/134127806.db2.gz WHCLJFRMFZQJLQ-UHFFFAOYSA-N 2 1 246.345 2.592 10 0 BFAEMP C[N@H+]1CCCC12CC[NH+](CCC(C)(F)F)CC2 ZINC000336198984 134127807 /nfs/dbraw/zinc/12/78/07/134127807.db2.gz WHCLJFRMFZQJLQ-UHFFFAOYSA-N 2 1 246.345 2.592 10 0 BFAEMP CCCC[N@H+]1CC[C@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226858561 134370353 /nfs/dbraw/zinc/37/03/53/134370353.db2.gz GMBFJAQVPZEBLM-STQMWFEESA-N 2 1 226.408 2.885 10 0 BFAEMP Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000258664636 135132877 /nfs/dbraw/zinc/13/28/77/135132877.db2.gz DZOPCOFKOSRINW-CQSZACIVSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccsc1C[N@@H+]1CC[C@H](C)C[C@H]1CN ZINC000261534280 135166915 /nfs/dbraw/zinc/16/69/15/135166915.db2.gz PJDLPIZLVOAUAH-JQWIXIFHSA-N 2 1 238.400 2.616 10 0 BFAEMP Cc1ccsc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534280 135166916 /nfs/dbraw/zinc/16/69/16/135166916.db2.gz PJDLPIZLVOAUAH-JQWIXIFHSA-N 2 1 238.400 2.616 10 0 BFAEMP Cc1ccsc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534280 135166918 /nfs/dbraw/zinc/16/69/18/135166918.db2.gz PJDLPIZLVOAUAH-JQWIXIFHSA-N 2 1 238.400 2.616 10 0 BFAEMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261593231 135233482 /nfs/dbraw/zinc/23/34/82/135233482.db2.gz ZBBIWOJLTICHGV-OAHLLOKOSA-N 2 1 246.398 2.863 10 0 BFAEMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262053635 135275729 /nfs/dbraw/zinc/27/57/29/135275729.db2.gz QLAZLZYMMIVHTQ-CABCVRRESA-N 2 1 238.419 2.887 10 0 BFAEMP CC(C)C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000053650132 167006401 /nfs/dbraw/zinc/00/64/01/167006401.db2.gz ISYKVQFHEDNAKL-OAHLLOKOSA-N 2 1 238.419 2.887 10 0 BFAEMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000312765714 322924035 /nfs/dbraw/zinc/92/40/35/322924035.db2.gz MNDICAVJAWQYJT-SCZZXKLOSA-N 2 1 244.791 2.619 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000053648924 167114583 /nfs/dbraw/zinc/11/45/83/167114583.db2.gz RITJQXMVHAGMDM-MRXNPFEDSA-N 2 1 246.398 2.692 10 0 BFAEMP CC(C)[NH2+]C[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000053648924 167114585 /nfs/dbraw/zinc/11/45/85/167114585.db2.gz RITJQXMVHAGMDM-MRXNPFEDSA-N 2 1 246.398 2.692 10 0 BFAEMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396730380 411240492 /nfs/dbraw/zinc/24/04/92/411240492.db2.gz YCQXYBMAHCQITF-CRWXNKLISA-N 2 1 224.392 2.685 10 0 BFAEMP CCC1CCC([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396728946 411240796 /nfs/dbraw/zinc/24/07/96/411240796.db2.gz XJYUGPNTKQNBIJ-ABXWRUBCSA-N 2 1 224.392 2.685 10 0 BFAEMP CC1CCC([N@H+]2CCC[NH2+][C@@H](C)CC2)CC1 ZINC000049665429 168160621 /nfs/dbraw/zinc/16/06/21/168160621.db2.gz WAMPAMMDIIWPJJ-MOKVOYLWSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+]C1(C[NH3+])CCC(c2ccccc2)CC1 ZINC000050270086 170108506 /nfs/dbraw/zinc/10/85/06/170108506.db2.gz KARYWWNPKYYSPB-UHFFFAOYSA-N 2 1 232.371 2.651 10 0 BFAEMP CC[NH2+]CCCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346099 170111751 /nfs/dbraw/zinc/11/17/51/170111751.db2.gz NDNURJYOJYYMNJ-UHFFFAOYSA-N 2 1 238.350 2.647 10 0 BFAEMP CC[NH2+]C[C@@H](c1ccccc1)n1cc[nH+]c1CC ZINC000052593261 170119793 /nfs/dbraw/zinc/11/97/93/170119793.db2.gz SIRTVLWNFKJKPJ-AWEZNQCLSA-N 2 1 243.354 2.644 10 0 BFAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)CC)oc1C ZINC000052444052 170125513 /nfs/dbraw/zinc/12/55/13/170125513.db2.gz YXFHLBQQABYBNF-LLVKDONJSA-N 2 1 238.375 2.928 10 0 BFAEMP CC[NH2+]Cc1ccoc1C[N@@H+](C)CC(C)(C)C ZINC000052570063 170129756 /nfs/dbraw/zinc/12/97/56/170129756.db2.gz FFHDWJBAKGPGHK-UHFFFAOYSA-N 2 1 238.375 2.867 10 0 BFAEMP CC[NH2+]Cc1occc1C[N@@H+](C)C1CCCC1 ZINC000052444778 170132723 /nfs/dbraw/zinc/13/27/23/170132723.db2.gz FASGSBZMXOAYNJ-UHFFFAOYSA-N 2 1 236.359 2.764 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C1 ZINC000052340283 170152208 /nfs/dbraw/zinc/15/22/08/170152208.db2.gz JXIZOKLXUIKYRP-GXTWGEPZSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C)C2)C[C@@H]1C ZINC000049710617 170152463 /nfs/dbraw/zinc/15/24/63/170152463.db2.gz BZARUEZFGVUCLD-BYNSBNAKSA-N 2 1 238.419 2.885 10 0 BFAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](C)CC(C)C ZINC000053865787 170152874 /nfs/dbraw/zinc/15/28/74/170152874.db2.gz QZVNIKRUZZBBNN-RBSFLKMASA-N 2 1 240.435 2.989 10 0 BFAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](C)CC(C)C ZINC000053865788 170169147 /nfs/dbraw/zinc/16/91/47/170169147.db2.gz QZVNIKRUZZBBNN-KFWWJZLASA-N 2 1 240.435 2.989 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CC2CCCC2)CCC[NH2+]1 ZINC000049665998 171008259 /nfs/dbraw/zinc/00/82/59/171008259.db2.gz WWMHGFUPBSSZBM-CQSZACIVSA-N 2 1 224.392 2.641 10 0 BFAEMP CC[C@H](CC(F)F)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000662266523 412058737 /nfs/dbraw/zinc/05/87/37/412058737.db2.gz ICIXVXLQVCYBIC-VXGBXAGGSA-N 2 1 248.361 2.742 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2CCC[C@H](C)C2)C1 ZINC000053861914 171055421 /nfs/dbraw/zinc/05/54/21/171055421.db2.gz RSZOKTKWEGNNMG-XGUBFFRZSA-N 2 1 238.419 2.872 10 0 BFAEMP CC[C@H](C)[N@@H+](CC)Cc1ccccc1C(N)=[NH2+] ZINC000037113332 171311972 /nfs/dbraw/zinc/31/19/72/171311972.db2.gz BQNHGKJJNXUBEN-NSHDSACASA-N 2 1 233.359 2.591 10 0 BFAEMP CC[C@H](C)[N@@H+](CCCC[NH2+]C(C)C)CCOC ZINC000042593343 171313509 /nfs/dbraw/zinc/31/35/09/171313509.db2.gz GMEYQYYAJSLJQL-AWEZNQCLSA-N 2 1 244.423 2.512 10 0 BFAEMP CC[C@@H](C)[NH2+]C[C@H](C)[N@H+](CCOC)[C@@H](C)CC ZINC000053497289 171315006 /nfs/dbraw/zinc/31/50/06/171315006.db2.gz ZDUQUYUMZSDQFG-RDBSUJKOSA-N 2 1 244.423 2.510 10 0 BFAEMP CC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](CCOC)[C@@H](C)CC ZINC000053497289 171315008 /nfs/dbraw/zinc/31/50/08/171315008.db2.gz ZDUQUYUMZSDQFG-RDBSUJKOSA-N 2 1 244.423 2.510 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973271 172028954 /nfs/dbraw/zinc/02/89/54/172028954.db2.gz HPBALFGLOSABAO-QMTHXVAHSA-N 2 1 247.317 2.521 10 0 BFAEMP CCc1[nH+]ccn1[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000042419744 172029035 /nfs/dbraw/zinc/02/90/35/172029035.db2.gz ZMRSSUUXVBWINK-RYUDHWBXSA-N 2 1 221.348 2.668 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042916012 172030117 /nfs/dbraw/zinc/03/01/17/172030117.db2.gz XSGHGBNHOUBEJE-YGRLFVJLSA-N 2 1 247.317 2.521 10 0 BFAEMP C[N@H+](Cc1cccc(C[NH3+])c1)CC1CCCC1 ZINC000042374979 172862720 /nfs/dbraw/zinc/86/27/20/172862720.db2.gz QPINZRWLBFJMCJ-UHFFFAOYSA-N 2 1 232.371 2.767 10 0 BFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC1(C)CCCC1)C2 ZINC000104449710 173206531 /nfs/dbraw/zinc/20/65/31/173206531.db2.gz KBMQNBWERJEFSO-AGUYFDCRSA-N 2 1 236.403 2.782 10 0 BFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]CCC(C)(C)C)C2 ZINC000061839586 173207448 /nfs/dbraw/zinc/20/74/48/173207448.db2.gz UCAQUWGVBRRYCY-AGUYFDCRSA-N 2 1 238.419 2.885 10 0 BFAEMP C[NH2+]CCC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095075979 173350833 /nfs/dbraw/zinc/35/08/33/173350833.db2.gz IAIHTBDKHCTEIZ-MRXNPFEDSA-N 2 1 246.398 2.898 10 0 BFAEMP C[NH2+]Cc1cc(C[N@H+]2CCCC2(C)C)oc1C ZINC000063073816 173386565 /nfs/dbraw/zinc/38/65/65/173386565.db2.gz MFOQIBPNMODWKF-UHFFFAOYSA-N 2 1 236.359 2.682 10 0 BFAEMP C[NH2+]Cc1cc(C[N@@H+](C)C2CCCC2)c(C)o1 ZINC000052444998 173386789 /nfs/dbraw/zinc/38/67/89/173386789.db2.gz YJGPLPMIBQZRQD-UHFFFAOYSA-N 2 1 236.359 2.682 10 0 BFAEMP COCC[N@@H+](CCCCCCC[NH3+])CC(C)C ZINC000042370853 174291116 /nfs/dbraw/zinc/29/11/16/174291116.db2.gz JYTWLLNLOXJODV-UHFFFAOYSA-N 2 1 244.423 2.500 10 0 BFAEMP C[C@@H]([NH3+])CCC[N@H+]1CCCc2ccccc2C1 ZINC000062944565 175804755 /nfs/dbraw/zinc/80/47/55/175804755.db2.gz DJVUKOBHHKEQCR-CYBMUJFWSA-N 2 1 232.371 2.562 10 0 BFAEMP C[C@@H]1CCCC[C@]1(CN)[N@@H+](C)CC1CCC1 ZINC000061455522 176090584 /nfs/dbraw/zinc/09/05/84/176090584.db2.gz OBEWZWWXLVWHIY-TZMCWYRMSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000020071923 176099686 /nfs/dbraw/zinc/09/96/86/176099686.db2.gz GBWHWOBKRPPPBM-QPSCCSFWSA-N 2 1 236.403 2.639 10 0 BFAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000020071923 176099687 /nfs/dbraw/zinc/09/96/87/176099687.db2.gz GBWHWOBKRPPPBM-QPSCCSFWSA-N 2 1 236.403 2.639 10 0 BFAEMP C[C@@H]1CCC[N@H+]1Cc1occc1C[NH2+]C1CC1 ZINC000052375697 176109497 /nfs/dbraw/zinc/10/94/97/176109497.db2.gz XVHGMZVICMDNFC-LLVKDONJSA-N 2 1 234.343 2.516 10 0 BFAEMP C[C@@H]1CCC[N@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052375803 176110588 /nfs/dbraw/zinc/11/05/88/176110588.db2.gz WTNILDANGKCURG-LLVKDONJSA-N 2 1 234.343 2.516 10 0 BFAEMP C[C@@H]1CCC[C@H]([N@@H+](C)C2(CN)CCCC2)C1 ZINC000042492443 176140714 /nfs/dbraw/zinc/14/07/14/176140714.db2.gz DTXROVOXKHXSII-OLZOCXBDSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000053861510 177076319 /nfs/dbraw/zinc/07/63/19/177076319.db2.gz SHZMGOOGBKOOAC-IHRRRGAJSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@H]1CCCC[N@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000035731274 177076882 /nfs/dbraw/zinc/07/68/82/177076882.db2.gz SRTRUOKCHVSCLA-DZGCQCFKSA-N 2 1 232.371 2.603 10 0 BFAEMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH3+])CC1 ZINC000104346201 177101758 /nfs/dbraw/zinc/10/17/58/177101758.db2.gz OQGNUPJNIHUNMG-ZDUSSCGKSA-N 2 1 232.371 2.767 10 0 BFAEMP C[C@H]1CCC[N@@H+]1CC[C@H]([NH3+])c1cccc(F)c1 ZINC000053975638 177108737 /nfs/dbraw/zinc/10/87/37/177108737.db2.gz PILNRNLLDVKIAJ-FZMZJTMJSA-N 2 1 236.334 2.700 10 0 BFAEMP C[C@H]1CCC[N@H+]1CC[C@H]([NH3+])c1cccc(F)c1 ZINC000053975638 177108739 /nfs/dbraw/zinc/10/87/39/177108739.db2.gz PILNRNLLDVKIAJ-FZMZJTMJSA-N 2 1 236.334 2.700 10 0 BFAEMP C[C@H]1CCC[N@@H+]1[C@@H](CNC1CC1)c1ccccc1 ZINC000052376172 177111832 /nfs/dbraw/zinc/11/18/32/177111832.db2.gz UXRQFCKENYNOPZ-BBRMVZONSA-N 2 1 244.382 2.964 10 0 BFAEMP C[C@H]1CCC[N@H+]1[C@@H](CNC1CC1)c1ccccc1 ZINC000052376172 177111833 /nfs/dbraw/zinc/11/18/33/177111833.db2.gz UXRQFCKENYNOPZ-BBRMVZONSA-N 2 1 244.382 2.964 10 0 BFAEMP C[C@H]1CCC[N@H+]1[C@]1(CN)CCCc2ccccc21 ZINC000037910342 177111861 /nfs/dbraw/zinc/11/18/61/177111861.db2.gz FDTMWXJYZDUXIJ-BBRMVZONSA-N 2 1 244.382 2.661 10 0 BFAEMP C[C@H]1CCC[N@@H+]1[C@]1(C[NH3+])CCCc2ccccc21 ZINC000037910342 177111862 /nfs/dbraw/zinc/11/18/62/177111862.db2.gz FDTMWXJYZDUXIJ-BBRMVZONSA-N 2 1 244.382 2.661 10 0 BFAEMP C[C@H]1CCC[N@H+]1[C@]1(C[NH3+])CCCc2ccccc21 ZINC000037910342 177111863 /nfs/dbraw/zinc/11/18/63/177111863.db2.gz FDTMWXJYZDUXIJ-BBRMVZONSA-N 2 1 244.382 2.661 10 0 BFAEMP C[C@H]1CC[N@@H+](CC2CCCCC2)CCC[NH2+]1 ZINC000049666062 177158928 /nfs/dbraw/zinc/15/89/28/177158928.db2.gz BBCGJURSAZMECQ-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000051632024 177274933 /nfs/dbraw/zinc/27/49/33/177274933.db2.gz BULSVQZRDXQINU-VBNZEHGJSA-N 2 1 244.382 2.733 10 0 BFAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CC2(C)CCCC2)C1 ZINC000104442356 177285504 /nfs/dbraw/zinc/28/55/04/177285504.db2.gz LSZMLHXDAVBEHI-OKILXGFUSA-N 2 1 238.419 2.744 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@H]([NH3+])C(C)(C)C)C1 ZINC000054026888 177313852 /nfs/dbraw/zinc/31/38/52/177313852.db2.gz RRGYANIFFHSZQY-XQQFMLRXSA-N 2 1 226.408 2.728 10 0 BFAEMP C[C@@H]1C([NH3+])[C@@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592757 177423690 /nfs/dbraw/zinc/42/36/90/177423690.db2.gz ZOZDGKPSUAGAMX-JYMWAKCPSA-N 2 1 246.398 2.879 10 0 BFAEMP CC(C)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000319545638 487674784 /nfs/dbraw/zinc/67/47/84/487674784.db2.gz NZHJOEAQYWRAGX-IMJJTQAJSA-N 2 1 246.398 2.705 10 0 BFAEMP CCC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCC1 ZINC000396709978 487531839 /nfs/dbraw/zinc/53/18/39/487531839.db2.gz LQEXVBUBPXRTOI-YUTCNCBUSA-N 2 1 224.392 2.685 10 0 BFAEMP Cc1cc[nH+]c(NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000097829639 487704174 /nfs/dbraw/zinc/70/41/74/487704174.db2.gz JEKJQFCCBUARHW-UHFFFAOYSA-N 2 1 239.322 2.605 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH+](CC)CC)C[C@H]1C ZINC000242648564 519861963 /nfs/dbraw/zinc/86/19/63/519861963.db2.gz RAKQYTWEXQVFNT-CHWSQXEVSA-N 2 1 212.381 2.591 10 0 BFAEMP CC(C)CC[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757135073 582513903 /nfs/dbraw/zinc/51/39/03/582513903.db2.gz YEBXIPMPCHLBBV-UONOGXRCSA-N 2 1 224.392 2.639 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH+]2CCCCC2)C[C@H]1C ZINC000242687947 519863711 /nfs/dbraw/zinc/86/37/11/519863711.db2.gz VAUFFIPHKXVWES-KGLIPLIRSA-N 2 1 224.392 2.735 10 0 BFAEMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000242495581 521715255 /nfs/dbraw/zinc/71/52/55/521715255.db2.gz GKEFCBIUTIWLNC-UKRRQHHQSA-N 2 1 232.371 2.649 10 0 BFAEMP C[C@@H]1CCC[N@@H+](CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000020071919 524229460 /nfs/dbraw/zinc/22/94/60/524229460.db2.gz QLTHMEKETMHHRP-UKRRQHHQSA-N 2 1 232.371 2.808 10 0 BFAEMP C[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000251992911 536362410 /nfs/dbraw/zinc/36/24/10/536362410.db2.gz ZKRIFXXOYPZNRQ-SOUVJXGZSA-N 2 1 238.419 2.887 10 0 BFAEMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000251992911 536362412 /nfs/dbraw/zinc/36/24/12/536362412.db2.gz ZKRIFXXOYPZNRQ-SOUVJXGZSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757131012 582505994 /nfs/dbraw/zinc/50/59/94/582505994.db2.gz OXAPGDDMHKQIDJ-OCCSQVGLSA-N 2 1 224.392 2.782 10 0 BFAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757134988 582513828 /nfs/dbraw/zinc/51/38/28/582513828.db2.gz XOKBWTOXJLXZPB-VNHYZAJKSA-N 2 1 236.403 2.782 10 0 BFAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757134975 586427029 /nfs/dbraw/zinc/42/70/29/586427029.db2.gz XOKBWTOXJLXZPB-IPYPFGDCSA-N 2 1 236.403 2.782 10 0 BFAEMP CC(C)CCCCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725718 644469123 /nfs/dbraw/zinc/46/91/23/644469123.db2.gz FSQBPLAWZPUTBO-CYBMUJFWSA-N 2 1 212.381 2.544 10 0 BFAEMP C[N@H+]1CCCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000700814642 712007190 /nfs/dbraw/zinc/00/71/90/712007190.db2.gz ABPJJOQEIQGNFS-INIZCTEOSA-N 2 1 246.398 2.551 10 0 BFAEMP Cc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc[nH+]1 ZINC000302586142 178183502 /nfs/dbraw/zinc/18/35/02/178183502.db2.gz UVHYAOPFVHHGQS-SMDDNHRTSA-N 2 1 233.359 2.531 10 0 BFAEMP Cc1cc([C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000049509042 178243769 /nfs/dbraw/zinc/24/37/69/178243769.db2.gz RBVFQYUMYQWYEU-CMPLNLGQSA-N 2 1 238.400 2.707 10 0 BFAEMP CCC(CC)[N@@H+](C)Cc1cccc(C(N)=[NH2+])c1 ZINC000036789188 168368761 /nfs/dbraw/zinc/36/87/61/168368761.db2.gz IHKNSQHVLRXYDH-UHFFFAOYSA-N 2 1 233.359 2.591 10 0 BFAEMP CCC(CC)[N@@H+](C)Cc1cc(C)c(C[NH2+]C)o1 ZINC000052478288 168369095 /nfs/dbraw/zinc/36/90/95/168369095.db2.gz TYSYRRMHGFRMBJ-UHFFFAOYSA-N 2 1 238.375 2.928 10 0 BFAEMP CCC(CC)[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601433 168375909 /nfs/dbraw/zinc/37/59/09/168375909.db2.gz QSGRTSVRNTYTPQ-QXMXGUDHSA-N 2 1 224.392 2.780 10 0 BFAEMP CCC(CC)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601433 168375910 /nfs/dbraw/zinc/37/59/10/168375910.db2.gz QSGRTSVRNTYTPQ-QXMXGUDHSA-N 2 1 224.392 2.780 10 0 BFAEMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)C ZINC000167384061 361864376 /nfs/dbraw/zinc/86/43/76/361864376.db2.gz XTWPKJOUCMCYSS-CYBMUJFWSA-N 2 1 226.408 2.885 10 0 BFAEMP CCC(CC)[C@@H](CN)[N@H+](C)Cc1ccccc1 ZINC000019272821 168399608 /nfs/dbraw/zinc/39/96/08/168399608.db2.gz SNSGXYCVVBQJJR-OAHLLOKOSA-N 2 1 234.387 2.882 10 0 BFAEMP CCC(CC)[C@@H](CN)[N@@H+](C)Cc1ccccc1 ZINC000019272821 168399610 /nfs/dbraw/zinc/39/96/10/168399610.db2.gz SNSGXYCVVBQJJR-OAHLLOKOSA-N 2 1 234.387 2.882 10 0 BFAEMP CCC(CC)[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000019272821 168399612 /nfs/dbraw/zinc/39/96/12/168399612.db2.gz SNSGXYCVVBQJJR-OAHLLOKOSA-N 2 1 234.387 2.882 10 0 BFAEMP CCC(CC)[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000019272821 168399614 /nfs/dbraw/zinc/39/96/14/168399614.db2.gz SNSGXYCVVBQJJR-OAHLLOKOSA-N 2 1 234.387 2.882 10 0 BFAEMP CC(C)c1[nH+]ccn1CC[C@H]1CCCC[NH2+]1 ZINC000041671409 343422736 /nfs/dbraw/zinc/42/27/36/343422736.db2.gz ZTMQKKKLBVLGRQ-GFCCVEGCSA-N 2 1 221.348 2.539 10 0 BFAEMP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CCCC1 ZINC000409434719 343835097 /nfs/dbraw/zinc/83/50/97/343835097.db2.gz ZYGARFVDEQXMSA-HZPDHXFCSA-N 2 1 244.382 2.636 10 0 BFAEMP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C1CCCC1 ZINC000409434719 343835098 /nfs/dbraw/zinc/83/50/98/343835098.db2.gz ZYGARFVDEQXMSA-HZPDHXFCSA-N 2 1 244.382 2.636 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000220407722 344285922 /nfs/dbraw/zinc/28/59/22/344285922.db2.gz SZOWQRCSACAHRQ-SNPRPXQTSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000220407722 344285925 /nfs/dbraw/zinc/28/59/25/344285925.db2.gz SZOWQRCSACAHRQ-SNPRPXQTSA-N 2 1 232.371 2.634 10 0 BFAEMP Cc1cccc(C[N@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)c1 ZINC000049666832 179082380 /nfs/dbraw/zinc/08/23/80/179082380.db2.gz PGAGQYLGGOMIOM-GASCZTMLSA-N 2 1 246.398 2.957 10 0 BFAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000042966001 179203291 /nfs/dbraw/zinc/20/32/91/179203291.db2.gz NVNUUOACZTYBKY-ZFWWWQNUSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)CC(C)C)c1 ZINC000042966001 179203294 /nfs/dbraw/zinc/20/32/94/179203294.db2.gz NVNUUOACZTYBKY-ZFWWWQNUSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1ccccc1C[N@@H+](C)CCCCC(N)=[NH2+] ZINC000049579773 179270791 /nfs/dbraw/zinc/27/07/91/179270791.db2.gz OFAONQQRDDKMBX-UHFFFAOYSA-N 2 1 233.359 2.533 10 0 BFAEMP Cc1ccccc1C[N@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000062622391 179274504 /nfs/dbraw/zinc/27/45/04/179274504.db2.gz PUDVELGVVIFUOB-INIZCTEOSA-N 2 1 246.398 2.815 10 0 BFAEMP Cc1ccccc1C[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235673614 179276865 /nfs/dbraw/zinc/27/68/65/179276865.db2.gz RUHHKGNJAMKBTR-SWLSCSKDSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235673614 179276867 /nfs/dbraw/zinc/27/68/67/179276867.db2.gz RUHHKGNJAMKBTR-SWLSCSKDSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049667717 179318154 /nfs/dbraw/zinc/31/81/54/179318154.db2.gz QHXCTDGYGCHMKU-DZGCQCFKSA-N 2 1 246.398 2.987 10 0 BFAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+]1CCC[C@@H]1C ZINC000043035862 179328805 /nfs/dbraw/zinc/32/88/05/179328805.db2.gz WZSCFORODBZRDO-KCQAQPDRSA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+]1CCC[C@@H]1C ZINC000043035862 179328807 /nfs/dbraw/zinc/32/88/07/179328807.db2.gz WZSCFORODBZRDO-KCQAQPDRSA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1[nH+]ccn1[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052576240 180271783 /nfs/dbraw/zinc/27/17/83/180271783.db2.gz RFJGIJAPSZHMKO-OAHLLOKOSA-N 2 1 243.354 2.779 10 0 BFAEMP Cc1[nH+]cn([C@H]2CCCCCC[C@H]2[NH3+])c1C ZINC000051926534 180289563 /nfs/dbraw/zinc/28/95/63/180289563.db2.gz GLYOYEHSTPIQNH-OLZOCXBDSA-N 2 1 221.348 2.723 10 0 BFAEMP Cc1[nH+]cn([C@H]2CCCCCC[C@@H]2[NH3+])c1C ZINC000051926532 180289804 /nfs/dbraw/zinc/28/98/04/180289804.db2.gz GLYOYEHSTPIQNH-STQMWFEESA-N 2 1 221.348 2.723 10 0 BFAEMP Cc1[nH+]cn([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])c1C ZINC000051925574 180289917 /nfs/dbraw/zinc/28/99/17/180289917.db2.gz USIVZBSKHXVUDQ-YMTOWFKASA-N 2 1 247.317 2.576 10 0 BFAEMP CC[N@@H+](Cc1ccccc1)[C@@H](C)CCC[NH2+]C ZINC000052443785 351001286 /nfs/dbraw/zinc/00/12/86/351001286.db2.gz BNDSTKIIYJQFQW-AWEZNQCLSA-N 2 1 234.387 2.897 10 0 BFAEMP CNc1cccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616625425 351093449 /nfs/dbraw/zinc/09/34/49/351093449.db2.gz NCNWDGIORUMRBQ-HNNXBMFYSA-N 2 1 247.386 2.604 10 0 BFAEMP CNc1cccc([C@@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616625425 351093452 /nfs/dbraw/zinc/09/34/52/351093452.db2.gz NCNWDGIORUMRBQ-HNNXBMFYSA-N 2 1 247.386 2.604 10 0 BFAEMP CC(C)(C)c1c[nH]c([C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000070503415 188130169 /nfs/dbraw/zinc/13/01/69/188130169.db2.gz IOSFBDLKSOROKU-UWVGGRQHSA-N 2 1 221.348 2.692 10 0 BFAEMP NC(=[NH2+])CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049579747 181186924 /nfs/dbraw/zinc/18/69/24/181186924.db2.gz ITUZNGOCMLAHDW-QWHCGFSZSA-N 2 1 237.391 2.605 10 0 BFAEMP CC[N@@H+](CC[C@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000137502786 356436193 /nfs/dbraw/zinc/43/61/93/356436193.db2.gz CCBRQAPNJYDIQY-HNNXBMFYSA-N 2 1 232.371 2.636 10 0 BFAEMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000390586292 357102805 /nfs/dbraw/zinc/10/28/05/357102805.db2.gz YIEGXIINZMXEQP-CHWSQXEVSA-N 2 1 226.408 2.743 10 0 BFAEMP Cc1c[nH+]ccc1N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000192680096 357847016 /nfs/dbraw/zinc/84/70/16/357847016.db2.gz AJWRORDXUWZQCE-JSGCOSHPSA-N 2 1 233.359 2.531 10 0 BFAEMP Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000247207890 359201320 /nfs/dbraw/zinc/20/13/20/359201320.db2.gz WTPPQJOJWMQMMB-IHRRRGAJSA-N 2 1 248.370 2.865 10 0 BFAEMP CC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000306603859 360532281 /nfs/dbraw/zinc/53/22/81/360532281.db2.gz XXDDAPSXPJJOQQ-DOMZBBRYSA-N 2 1 245.370 2.626 10 0 BFAEMP [NH3+]C1(C[N@H+]2CCCc3ccccc3C2)CCCC1 ZINC000062946180 181330303 /nfs/dbraw/zinc/33/03/03/181330303.db2.gz VDAWJOBGSFXJIL-UHFFFAOYSA-N 2 1 244.382 2.706 10 0 BFAEMP CCCC[N@H+]1CCCCCC[NH2+]CCC1 ZINC000725262385 541335499 /nfs/dbraw/zinc/33/54/99/541335499.db2.gz ZYTVPPSKHJCZCY-UHFFFAOYSA-N 2 1 212.381 2.642 10 0 BFAEMP CC[NH+](CC)C[C@@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385137 541438281 /nfs/dbraw/zinc/43/82/81/541438281.db2.gz ZQHAYAAOWMEPSJ-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP [NH3+]CCC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000082343867 181385503 /nfs/dbraw/zinc/38/55/03/181385503.db2.gz DYOLSWARDAFROU-HNNXBMFYSA-N 2 1 232.371 2.780 10 0 BFAEMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414958766 205794523 /nfs/dbraw/zinc/79/45/23/205794523.db2.gz SHWGXAFJMQCFQF-YRGRVCCFSA-N 2 1 224.392 2.685 10 0 BFAEMP CCC[N@@H+](C1CCCCC1)C1CC[NH2+]CC1 ZINC000037469616 169091181 /nfs/dbraw/zinc/09/11/81/169091181.db2.gz YDDSAOPYZFNNLM-UHFFFAOYSA-N 2 1 224.392 2.783 10 0 BFAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C2CC2)C1 ZINC000035732772 169195271 /nfs/dbraw/zinc/19/52/71/169195271.db2.gz XLUWSAUPXIBCAU-GZBFAFLISA-N 2 1 238.419 2.885 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655925 169206384 /nfs/dbraw/zinc/20/63/84/169206384.db2.gz VAUFFIPHKXVWES-UONOGXRCSA-N 2 1 224.392 2.735 10 0 BFAEMP CCC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccncc1 ZINC000051218202 169256045 /nfs/dbraw/zinc/25/60/45/169256045.db2.gz APEIOUMXYUJYTE-UHFFFAOYSA-N 2 1 249.402 2.539 10 0 BFAEMP CCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccncc1 ZINC000051218202 169256048 /nfs/dbraw/zinc/25/60/48/169256048.db2.gz APEIOUMXYUJYTE-UHFFFAOYSA-N 2 1 249.402 2.539 10 0 BFAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000052417417 169261257 /nfs/dbraw/zinc/26/12/57/169261257.db2.gz CWVPLUPWDUNKGT-CQSZACIVSA-N 2 1 234.387 2.754 10 0 BFAEMP CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000082646685 169286216 /nfs/dbraw/zinc/28/62/16/169286216.db2.gz RDANJHDVDQPYMF-ZIAGYGMSSA-N 2 1 226.408 2.743 10 0 BFAEMP CCC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000052417418 169264109 /nfs/dbraw/zinc/26/41/09/169264109.db2.gz CWVPLUPWDUNKGT-AWEZNQCLSA-N 2 1 234.387 2.754 10 0 BFAEMP c1ccc(C[N@@H+]2CCCCC[C@@]23CC[NH2+]C3)cc1 ZINC000096879555 183395947 /nfs/dbraw/zinc/39/59/47/183395947.db2.gz XWLRTSCARJSTPT-INIZCTEOSA-N 2 1 244.382 2.795 10 0 BFAEMP c1ccc(C[N@H+]2CCCCC[C@@]23CC[NH2+]C3)cc1 ZINC000096879555 183395948 /nfs/dbraw/zinc/39/59/48/183395948.db2.gz XWLRTSCARJSTPT-INIZCTEOSA-N 2 1 244.382 2.795 10 0 BFAEMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)CC2)cc1 ZINC000096895220 183397980 /nfs/dbraw/zinc/39/79/80/183397980.db2.gz UUTZVMXCEQSCSH-MRXNPFEDSA-N 2 1 244.382 2.652 10 0 BFAEMP c1ccc(C[N@H+]2CCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC000096985039 183399395 /nfs/dbraw/zinc/39/93/95/183399395.db2.gz OLCFMFDATJAITK-INIZCTEOSA-N 2 1 244.382 2.651 10 0 BFAEMP CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000042864294 169281977 /nfs/dbraw/zinc/28/19/77/169281977.db2.gz YNYXSMKSBPESCW-SOUVJXGZSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000042864294 169281978 /nfs/dbraw/zinc/28/19/78/169281978.db2.gz YNYXSMKSBPESCW-SOUVJXGZSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000061484488 169282296 /nfs/dbraw/zinc/28/22/96/169282296.db2.gz PXKCOKFCROHHQQ-LSDHHAIUSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000061484491 169291409 /nfs/dbraw/zinc/29/14/09/169291409.db2.gz PXKCOKFCROHHQQ-GJZGRUSLSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[C@@H](C)[N@@H+](C)Cc1cc(C)c(C[NH2+]C)o1 ZINC000052480824 169365056 /nfs/dbraw/zinc/36/50/56/169365056.db2.gz GOVRQGZZOJQDMF-GFCCVEGCSA-N 2 1 238.375 2.928 10 0 BFAEMP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](n2cc[nH+]c2C)C1 ZINC000037159968 169420174 /nfs/dbraw/zinc/42/01/74/169420174.db2.gz BYSKHYSPNDHCSW-HZSPNIEDSA-N 2 1 235.375 2.908 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592873 384002277 /nfs/dbraw/zinc/00/22/77/384002277.db2.gz UKWBVZXKIFQVBE-GUIRCDHDSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]([NH3+])[C@H]1C ZINC000068593249 384001709 /nfs/dbraw/zinc/00/17/09/384001709.db2.gz XHQDHKBQLIGGBO-AQRJEWBLSA-N 2 1 246.398 2.879 10 0 BFAEMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000312765716 384481278 /nfs/dbraw/zinc/48/12/78/384481278.db2.gz MNDICAVJAWQYJT-WCBMZHEXSA-N 2 1 244.791 2.619 10 0 BFAEMP [NH3+]C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000100279304 384630825 /nfs/dbraw/zinc/63/08/25/384630825.db2.gz HCOHDXPCJRZNOY-HZPDHXFCSA-N 2 1 244.382 2.638 10 0 BFAEMP CC(C)[C@]1([NH3+])CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575561931 386026427 /nfs/dbraw/zinc/02/64/27/386026427.db2.gz XBTFVRGKTNACEL-DZGCQCFKSA-N 2 1 232.371 2.634 10 0 BFAEMP C1=C[C@H]([NH+]2CCC([NH+]3CCCC3)CC2)CCC1 ZINC000066533613 387085684 /nfs/dbraw/zinc/08/56/84/387085684.db2.gz UFRDQJCUUKRRMP-AWEZNQCLSA-N 2 1 234.387 2.655 10 0 BFAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000396695780 387485669 /nfs/dbraw/zinc/48/56/69/387485669.db2.gz JHPJYUJWVWKKAS-IKOXMDCHSA-N 2 1 224.392 2.541 10 0 BFAEMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000235463278 388369403 /nfs/dbraw/zinc/36/94/03/388369403.db2.gz KTKJVKZHPLPTNH-WOPDTQHZSA-N 2 1 212.381 2.528 10 0 BFAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[C@H]1C ZINC000322221617 388394788 /nfs/dbraw/zinc/39/47/88/388394788.db2.gz XGNGFDQVMVHPKV-PWEOIFTKSA-N 2 1 236.403 2.636 10 0 BFAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1C ZINC000322221617 388394791 /nfs/dbraw/zinc/39/47/91/388394791.db2.gz XGNGFDQVMVHPKV-PWEOIFTKSA-N 2 1 236.403 2.636 10 0 BFAEMP C[C@@H]1C[N@H+]([C@H]2C[C@H](C)C[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000310382812 388481424 /nfs/dbraw/zinc/48/14/24/388481424.db2.gz PTDQKOXQXOYTSL-QKGCVVFFSA-N 2 1 238.419 2.728 10 0 BFAEMP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000246158648 388620007 /nfs/dbraw/zinc/62/00/07/388620007.db2.gz DAFRETNCQUMLAF-QWHCGFSZSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000246158648 388620010 /nfs/dbraw/zinc/62/00/10/388620010.db2.gz DAFRETNCQUMLAF-QWHCGFSZSA-N 2 1 226.408 2.741 10 0 BFAEMP CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+](CC)CC)C1 ZINC000070762351 135012871 /nfs/dbraw/zinc/01/28/71/135012871.db2.gz LAHAWPGMGLQWNY-BFHYXJOUSA-N 2 1 226.408 2.885 10 0 BFAEMP Cc1c[nH+]ccc1N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248657381 135018850 /nfs/dbraw/zinc/01/88/50/135018850.db2.gz AJWRORDXUWZQCE-OCCSQVGLSA-N 2 1 233.359 2.531 10 0 BFAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693664 135074826 /nfs/dbraw/zinc/07/48/26/135074826.db2.gz HIGOYBITTZSPDV-CBBWQLFWSA-N 2 1 238.419 2.872 10 0 BFAEMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000258678891 135133539 /nfs/dbraw/zinc/13/35/39/135133539.db2.gz FYBGQZDDQIUBSQ-HNNXBMFYSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000258919320 135135451 /nfs/dbraw/zinc/13/54/51/135135451.db2.gz WLBXKQJPWUMABT-CQSZACIVSA-N 2 1 232.371 2.554 10 0 BFAEMP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538108 135175558 /nfs/dbraw/zinc/17/55/58/135175558.db2.gz CGQBZCNRZOXNEK-VXGBXAGGSA-N 2 1 246.345 2.625 10 0 BFAEMP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261538108 135175559 /nfs/dbraw/zinc/17/55/59/135175559.db2.gz CGQBZCNRZOXNEK-VXGBXAGGSA-N 2 1 246.345 2.625 10 0 BFAEMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000261557717 135198367 /nfs/dbraw/zinc/19/83/67/135198367.db2.gz RVRXYHUYTIVMSJ-RYUDHWBXSA-N 2 1 248.361 2.775 10 0 BFAEMP CC1(C)C[N@H+](C/C=C/c2ccccc2)CC[C@H]1[NH3+] ZINC000261586546 135227793 /nfs/dbraw/zinc/22/77/93/135227793.db2.gz ULESQSGRCUWZAO-RZIFZGNASA-N 2 1 244.382 2.759 10 0 BFAEMP CC1(C)C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1[NH3+] ZINC000261586546 135227794 /nfs/dbraw/zinc/22/77/94/135227794.db2.gz ULESQSGRCUWZAO-RZIFZGNASA-N 2 1 244.382 2.759 10 0 BFAEMP CCc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261591643 135231817 /nfs/dbraw/zinc/23/18/17/135231817.db2.gz XXIDEYNPIHUASX-OAHLLOKOSA-N 2 1 246.398 2.808 10 0 BFAEMP CC(C)C[C@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262053639 135276011 /nfs/dbraw/zinc/27/60/11/135276011.db2.gz QLAZLZYMMIVHTQ-HUUCEWRRSA-N 2 1 238.419 2.887 10 0 BFAEMP CC(C)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C[C@@H]1C ZINC000073654334 167015116 /nfs/dbraw/zinc/01/51/16/167015116.db2.gz RPYGRNVBGBBXJN-KBPBESRZSA-N 2 1 226.408 2.598 10 0 BFAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000052456805 167103070 /nfs/dbraw/zinc/10/30/70/167103070.db2.gz ZJVOGVYXYTWIEN-ZDUSSCGKSA-N 2 1 238.375 2.878 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000053012603 167112589 /nfs/dbraw/zinc/11/25/89/167112589.db2.gz TZNNXASWEMWYDQ-ZDUSSCGKSA-N 2 1 224.392 2.639 10 0 BFAEMP C[C@@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000304362912 411361515 /nfs/dbraw/zinc/36/15/15/411361515.db2.gz YWASRZWMGFHSGW-QWHCGFSZSA-N 2 1 226.408 2.743 10 0 BFAEMP CC1CCC([N@@H+](C)C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053878822 168160408 /nfs/dbraw/zinc/16/04/08/168160408.db2.gz BMIPOLVXFZPTTJ-YIOUJQMASA-N 2 1 224.392 2.624 10 0 BFAEMP CC[NH2+]CCCCC[N@@H+](C)Cc1ccccc1 ZINC000052417511 170112075 /nfs/dbraw/zinc/11/20/75/170112075.db2.gz QGTNMAIWQLDGAG-UHFFFAOYSA-N 2 1 234.387 2.898 10 0 BFAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035311 170122608 /nfs/dbraw/zinc/12/26/08/170122608.db2.gz IADXMXBYJQNSHP-UONOGXRCSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)CC)oc1C ZINC000052444053 170125870 /nfs/dbraw/zinc/12/58/70/170125870.db2.gz YXFHLBQQABYBNF-NSHDSACASA-N 2 1 238.375 2.928 10 0 BFAEMP CC[NH2+]Cc1cc(C[N@@H+](C)CC(C)C)oc1C ZINC000052452574 170125893 /nfs/dbraw/zinc/12/58/93/170125893.db2.gz VLQQKKWRAQTNDF-UHFFFAOYSA-N 2 1 238.375 2.785 10 0 BFAEMP CC[NH2+][C@@H]1CCCC[C@H]1n1c[nH+]c(C)c1C ZINC000051926674 170150472 /nfs/dbraw/zinc/15/04/72/170150472.db2.gz ZWMYKQROYPQZSS-CHWSQXEVSA-N 2 1 221.348 2.593 10 0 BFAEMP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@H+]1CC[C@H](C)C1 ZINC000053870453 170150574 /nfs/dbraw/zinc/15/05/74/170150574.db2.gz MDSAMEITJAJMGC-SOUVJXGZSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](C(C)(C)CC)[C@@H](C)C1 ZINC000049709159 170151257 /nfs/dbraw/zinc/15/12/57/170151257.db2.gz KSRQTBOKLHOSTC-NWDGAFQWSA-N 2 1 212.381 2.637 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCC(C)CC2)C[C@@H]1C ZINC000049709737 170151378 /nfs/dbraw/zinc/15/13/78/170151378.db2.gz CWWWIQYQLUGTSW-OOJKYFRXSA-N 2 1 238.419 2.885 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709194 170151865 /nfs/dbraw/zinc/15/18/65/170151865.db2.gz YZFSQMAXHQTNAB-CHWSQXEVSA-N 2 1 224.392 2.782 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1C ZINC000049708912 170152300 /nfs/dbraw/zinc/15/23/00/170152300.db2.gz WFBMQFPSDYQANQ-GOEBONIOSA-N 2 1 246.398 2.549 10 0 BFAEMP CC[NH2+][C@H](C)c1c(F)cccc1-n1cc[nH+]c1C ZINC000034663915 170159278 /nfs/dbraw/zinc/15/92/78/170159278.db2.gz KCJJSLFXOWYALT-SNVBAGLBSA-N 2 1 247.317 2.990 10 0 BFAEMP CC[NH2+][C@H]1CCCCC[C@H]1C[N@@H+](C)CC1CC1 ZINC000053870085 170165928 /nfs/dbraw/zinc/16/59/28/170165928.db2.gz AVFICXIWBNALKF-GJZGRUSLSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)C1CC1 ZINC000054554865 170169007 /nfs/dbraw/zinc/16/90/07/170169007.db2.gz DBAYXYNLSWSJBL-SNPRPXQTSA-N 2 1 238.419 2.883 10 0 BFAEMP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)C1CC1 ZINC000054554865 170169009 /nfs/dbraw/zinc/16/90/09/170169009.db2.gz DBAYXYNLSWSJBL-SNPRPXQTSA-N 2 1 238.419 2.883 10 0 BFAEMP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccco1 ZINC000054083268 170894416 /nfs/dbraw/zinc/89/44/16/170894416.db2.gz YPKRVXJWKFWRAU-CYBMUJFWSA-N 2 1 236.359 2.806 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CC(C)(C)C)C[C@H](C)C[NH2+]1 ZINC000049667083 171009521 /nfs/dbraw/zinc/00/95/21/171009521.db2.gz IQUOWNDWWSYSQR-CHWSQXEVSA-N 2 1 226.408 2.743 10 0 BFAEMP CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915868 171385821 /nfs/dbraw/zinc/38/58/21/171385821.db2.gz GSISCYTYHIYWHB-AJNGGQMLSA-N 2 1 238.419 2.885 10 0 BFAEMP CCc1[nH+]ccn1[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000044037108 172028945 /nfs/dbraw/zinc/02/89/45/172028945.db2.gz RUOWNAMLTAOGDY-RYUDHWBXSA-N 2 1 221.348 2.539 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043038036 172029580 /nfs/dbraw/zinc/02/95/80/172029580.db2.gz ONPUJBVZRWRMRJ-IUODEOHRSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000042419745 172029865 /nfs/dbraw/zinc/02/98/65/172029865.db2.gz ZMRSSUUXVBWINK-VXGBXAGGSA-N 2 1 221.348 2.668 10 0 BFAEMP C[NH2+]C(C)(C)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000061319617 173319787 /nfs/dbraw/zinc/31/97/87/173319787.db2.gz SEIZPBYAWQZKKZ-OLZOCXBDSA-N 2 1 224.392 2.639 10 0 BFAEMP C[NH2+]CC1(C[N@@H+](CC2CC2)C(C)C)CCCC1 ZINC000051259442 173337873 /nfs/dbraw/zinc/33/78/73/173337873.db2.gz JGQIJNVSWMYIOB-UHFFFAOYSA-N 2 1 238.419 2.887 10 0 BFAEMP C[NH2+]CCCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000062019095 173345003 /nfs/dbraw/zinc/34/50/03/173345003.db2.gz VJOHSPAYGURODN-GFCCVEGCSA-N 2 1 238.350 2.818 10 0 BFAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1cccc(C)c1 ZINC000039781811 173368842 /nfs/dbraw/zinc/36/88/42/173368842.db2.gz VXJNVJSRVNYPDE-INIZCTEOSA-N 2 1 246.398 2.611 10 0 BFAEMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1cccc(C)c1 ZINC000039781811 173368843 /nfs/dbraw/zinc/36/88/43/173368843.db2.gz VXJNVJSRVNYPDE-INIZCTEOSA-N 2 1 246.398 2.611 10 0 BFAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2cccs2)C1 ZINC000040592493 173378790 /nfs/dbraw/zinc/37/87/90/173378790.db2.gz HHASXEYJBCQGSF-VXGBXAGGSA-N 2 1 238.400 2.741 10 0 BFAEMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1ccc(C)cc1 ZINC000039781812 173379596 /nfs/dbraw/zinc/37/95/96/173379596.db2.gz KMBHIUFYAROAJM-MRXNPFEDSA-N 2 1 246.398 2.611 10 0 BFAEMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1ccc(C)cc1 ZINC000039781812 173379598 /nfs/dbraw/zinc/37/95/98/173379598.db2.gz KMBHIUFYAROAJM-MRXNPFEDSA-N 2 1 246.398 2.611 10 0 BFAEMP C[NH2+]C[C@](C)(C[N@@H+](C)CC1CC1)c1ccccc1 ZINC000051249755 173383166 /nfs/dbraw/zinc/38/31/66/173383166.db2.gz FOUXFQZYGHKFIP-MRXNPFEDSA-N 2 1 246.398 2.506 10 0 BFAEMP C[NH2+]Cc1oc(C[N@H+]2CCC[C@H](C)C2)cc1C ZINC000052381690 173399318 /nfs/dbraw/zinc/39/93/18/173399318.db2.gz COISLVIWSURCAA-NSHDSACASA-N 2 1 236.359 2.539 10 0 BFAEMP C[C@@H](c1ccccc1)[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000049664307 176021633 /nfs/dbraw/zinc/02/16/33/176021633.db2.gz QSVDULFTXYBAIP-KGLIPLIRSA-N 2 1 232.371 2.679 10 0 BFAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012228 176022143 /nfs/dbraw/zinc/02/21/43/176022143.db2.gz DOJWTODVVRTRTH-UONOGXRCSA-N 2 1 244.382 2.822 10 0 BFAEMP C[C@@H](c1cccnc1)[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049666647 176030680 /nfs/dbraw/zinc/03/06/80/176030680.db2.gz FXCUCDBVOQLFAR-MCIONIFRSA-N 2 1 247.386 2.605 10 0 BFAEMP C[C@@H]1CC2(CCC2)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336596905 176057714 /nfs/dbraw/zinc/05/77/14/176057714.db2.gz AKJLFFSUNVWDAX-KGLIPLIRSA-N 2 1 236.403 2.735 10 0 BFAEMP C[C@@H]1CCC[N@@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000034050213 176098223 /nfs/dbraw/zinc/09/82/23/176098223.db2.gz QLTHMEKETMHHRP-HIFRSBDPSA-N 2 1 232.371 2.808 10 0 BFAEMP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000042900638 176103068 /nfs/dbraw/zinc/10/30/68/176103068.db2.gz PWPGVKDMZKHYPM-UMVBOHGHSA-N 2 1 232.371 2.807 10 0 BFAEMP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000042900638 176103069 /nfs/dbraw/zinc/10/30/69/176103069.db2.gz PWPGVKDMZKHYPM-UMVBOHGHSA-N 2 1 232.371 2.807 10 0 BFAEMP C[C@@H]1CCC[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055022337 176103118 /nfs/dbraw/zinc/10/31/18/176103118.db2.gz WBVLRGQANXTGQY-OCCSQVGLSA-N 2 1 245.370 2.786 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000053862885 176229123 /nfs/dbraw/zinc/22/91/23/176229123.db2.gz RZXGQHBRYWQBNN-KBMXLJTQSA-N 2 1 246.398 2.882 10 0 BFAEMP C[C@H](C[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000096880670 176662680 /nfs/dbraw/zinc/66/26/80/176662680.db2.gz ISMABBUEOPMCAX-GDBMZVCRSA-N 2 1 246.398 2.884 10 0 BFAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1(C)CC[NH2+]CC1 ZINC000062841867 177080774 /nfs/dbraw/zinc/08/07/74/177080774.db2.gz LMTCDEUWEIIYOI-KBPBESRZSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1C[NH2+]CCC[N@H+](C2(C)CCCCC2)C1 ZINC000045046702 177281935 /nfs/dbraw/zinc/28/19/35/177281935.db2.gz YRJHIVLILCUTFV-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@@H]1CCC[C@@H]([N@@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)C1 ZINC000049665914 177286135 /nfs/dbraw/zinc/28/61/35/177286135.db2.gz UTFXWHRQBYJXGN-APIJFGDWSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@@H](c1ccco1)[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666198 177286164 /nfs/dbraw/zinc/28/61/64/177286164.db2.gz WPXCVALWJOAUDE-XQQFMLRXSA-N 2 1 236.359 2.518 10 0 BFAEMP C[C@@H]1[C@H]([NH3+])C[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000169616714 177326497 /nfs/dbraw/zinc/32/64/97/177326497.db2.gz ZJJABKUGECYXQM-RMRHIDDWSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000104417815 177342411 /nfs/dbraw/zinc/34/24/11/177342411.db2.gz UEVKXXZCYBCXEP-YUTCNCBUSA-N 2 1 245.370 2.642 10 0 BFAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C1CCCCCC1 ZINC000049710528 177364325 /nfs/dbraw/zinc/36/43/25/177364325.db2.gz FJLRFTXDJJRATC-NWDGAFQWSA-N 2 1 210.365 2.521 10 0 BFAEMP CC(C)C[N@H+]1C[C@@H]2CCC[C@H](C[NH+](C)C)[C@@H]2C1 ZINC000503720869 528027779 /nfs/dbraw/zinc/02/77/79/528027779.db2.gz WKDTVTPLLXPBOO-ILXRZTDVSA-N 2 1 238.419 2.552 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000396710661 487999986 /nfs/dbraw/zinc/99/99/86/487999986.db2.gz PDLSIONCPZHBBX-XQQFMLRXSA-N 2 1 224.392 2.685 10 0 BFAEMP CCCCC[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757127757 582503525 /nfs/dbraw/zinc/50/35/25/582503525.db2.gz HVQYEKMDVJKYES-UONOGXRCSA-N 2 1 224.392 2.783 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132599 582507781 /nfs/dbraw/zinc/50/77/81/582507781.db2.gz ROJXGNDTUUGSQA-HZSPNIEDSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)[C@H]([NH3+])CCN(C)c1cc[nH+]cc1Cl ZINC000227738906 535067874 /nfs/dbraw/zinc/06/78/74/535067874.db2.gz QBJLSZPMEZNYSJ-LLVKDONJSA-N 2 1 241.766 2.545 10 0 BFAEMP CCC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261608935 535350813 /nfs/dbraw/zinc/35/08/13/535350813.db2.gz BPOYKZWLESOYHI-GFCCVEGCSA-N 2 1 226.408 2.872 10 0 BFAEMP C[N@@H+](C1CCCCC1)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000675052897 566412160 /nfs/dbraw/zinc/41/21/60/566412160.db2.gz BXYTUQCTSFCWET-OCCSQVGLSA-N 2 1 224.392 2.768 10 0 BFAEMP CCCCC[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757127763 582502967 /nfs/dbraw/zinc/50/29/67/582502967.db2.gz HVQYEKMDVJKYES-ZIAGYGMSSA-N 2 1 224.392 2.783 10 0 BFAEMP CC(C)CC[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757128301 582503060 /nfs/dbraw/zinc/50/30/60/582503060.db2.gz KLJCPSIQLQSELS-KBPBESRZSA-N 2 1 224.392 2.639 10 0 BFAEMP CC1(c2ccc([C@H]3CC[NH2+][C@H](C[NH3+])C3)cc2)CC1 ZINC000757212733 582560544 /nfs/dbraw/zinc/56/05/44/582560544.db2.gz JSKXHJXLJIBRNF-ZFWWWQNUSA-N 2 1 244.382 2.532 10 0 BFAEMP C[C@@H]1[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000757206373 586437271 /nfs/dbraw/zinc/43/72/71/586437271.db2.gz AASDIAJHRSNSPP-TUKIKUTGSA-N 2 1 244.382 2.878 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757208166 586438009 /nfs/dbraw/zinc/43/80/09/586438009.db2.gz CFTFRUVPICSANY-KCPJHIHWSA-N 2 1 244.382 2.736 10 0 BFAEMP CC(C)[N@H+]1CCC=C(c2cccc(C[NH3+])c2)C1 ZINC000757570932 586462742 /nfs/dbraw/zinc/46/27/42/586462742.db2.gz FVYJUEBYHDAQNZ-UHFFFAOYSA-N 2 1 230.355 2.643 10 0 BFAEMP CC(C)[N@@H+](C)CCC[NH2+]CCc1ccccc1 ZINC000221788535 635341311 /nfs/dbraw/zinc/34/13/11/635341311.db2.gz QVMOZBCROVBUTN-UHFFFAOYSA-N 2 1 234.387 2.549 10 0 BFAEMP CCCCCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231668810 641192154 /nfs/dbraw/zinc/19/21/54/641192154.db2.gz ZDCXODYZYLCEHR-CYBMUJFWSA-N 2 1 212.381 2.641 10 0 BFAEMP C[C@@H]1C[NH2+]C[C@H]1CNc1[nH+]ccc2ccccc21 ZINC000723792508 710731588 /nfs/dbraw/zinc/73/15/88/710731588.db2.gz JUJZHVBRCOHUET-YPMHNXCESA-N 2 1 241.338 2.502 10 0 BFAEMP C[N@H+]1CCCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000700814643 712007666 /nfs/dbraw/zinc/00/76/66/712007666.db2.gz ABPJJOQEIQGNFS-MRXNPFEDSA-N 2 1 246.398 2.551 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC[C@@H]2C ZINC000685954540 538899355 /nfs/dbraw/zinc/89/93/55/538899355.db2.gz NTFYYIIXNDEPSB-ZOBORPQBSA-N 2 1 224.392 2.624 10 0 BFAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCCCCC2 ZINC000685955391 538901310 /nfs/dbraw/zinc/90/13/10/538901310.db2.gz YVXXEPGZHDLYKE-LBPRGKRZSA-N 2 1 210.365 2.522 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000685952701 538896818 /nfs/dbraw/zinc/89/68/18/538896818.db2.gz CCNDXQBWRBZZJH-SGMGOOAPSA-N 2 1 224.392 2.624 10 0 BFAEMP Cc1cc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)o1 ZINC000040749195 178220781 /nfs/dbraw/zinc/22/07/81/178220781.db2.gz VCSIQZYTSLSHLM-NDNKKMJESA-N 2 1 248.370 2.912 10 0 BFAEMP Cc1cc2[nH]c(CCCCC[NH3+])[nH+]c2cc1C ZINC000019733984 178302472 /nfs/dbraw/zinc/30/24/72/178302472.db2.gz GAMURYPQQPLENS-UHFFFAOYSA-N 2 1 231.343 2.851 10 0 BFAEMP CCC(CC)[N@@H+](C)C[C@H](C[NH3+])c1ccccc1 ZINC000036788536 168369179 /nfs/dbraw/zinc/36/91/79/168369179.db2.gz GCBQHSFMSWHSEC-AWEZNQCLSA-N 2 1 234.387 2.849 10 0 BFAEMP CCC(CC)[N@@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000036788564 168369209 /nfs/dbraw/zinc/36/92/09/168369209.db2.gz JANQJCUHNZCOQF-UHFFFAOYSA-N 2 1 238.350 2.905 10 0 BFAEMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310402919 259327347 /nfs/dbraw/zinc/32/73/47/259327347.db2.gz UZIOCLIBMTZODY-UMVBOHGHSA-N 2 1 232.371 2.664 10 0 BFAEMP CC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C[NH2+]1 ZINC000219631048 342881143 /nfs/dbraw/zinc/88/11/43/342881143.db2.gz HEJXHUKSKYTQRB-HOCLYGCPSA-N 2 1 246.398 2.897 10 0 BFAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1 ZINC000034482590 343272311 /nfs/dbraw/zinc/27/23/11/343272311.db2.gz KWNJMTNFGWZLRL-QXMXGUDHSA-N 2 1 222.376 2.663 10 0 BFAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCC1 ZINC000034482590 343272313 /nfs/dbraw/zinc/27/23/13/343272313.db2.gz KWNJMTNFGWZLRL-QXMXGUDHSA-N 2 1 222.376 2.663 10 0 BFAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042437387 343437880 /nfs/dbraw/zinc/43/78/80/343437880.db2.gz FXTJTHSHJYUWLC-JTQLQIEISA-N 2 1 226.751 2.509 10 0 BFAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2CC[C@H]([NH3+])[C@H]21 ZINC000059244010 343707170 /nfs/dbraw/zinc/70/71/70/343707170.db2.gz GUUUROUIZZQBOM-RZFFKMDDSA-N 2 1 230.355 2.559 10 0 BFAEMP Cc1cccc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000038019327 179144151 /nfs/dbraw/zinc/14/41/51/179144151.db2.gz MPNPDSGJOJDMCP-AGUYFDCRSA-N 2 1 245.370 2.675 10 0 BFAEMP Cc1cccc(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000038019327 179144154 /nfs/dbraw/zinc/14/41/54/179144154.db2.gz MPNPDSGJOJDMCP-AGUYFDCRSA-N 2 1 245.370 2.675 10 0 BFAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000042966739 179203194 /nfs/dbraw/zinc/20/31/94/179203194.db2.gz VNVCALLKXBGHTB-YDHLFZDLSA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000042966739 179203196 /nfs/dbraw/zinc/20/31/96/179203196.db2.gz VNVCALLKXBGHTB-YDHLFZDLSA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1ccccc1C[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053031412 179276462 /nfs/dbraw/zinc/27/64/62/179276462.db2.gz MYVSCNGSGFYMDF-CQSZACIVSA-N 2 1 244.382 2.569 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)CC(C)C ZINC000043034513 179347586 /nfs/dbraw/zinc/34/75/86/179347586.db2.gz HRYOAXFPJKSTHN-HIFRSBDPSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)CC(C)C ZINC000043034513 179347589 /nfs/dbraw/zinc/34/75/89/179347589.db2.gz HRYOAXFPJKSTHN-HIFRSBDPSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)CC1CC1 ZINC000043035896 179346360 /nfs/dbraw/zinc/34/63/60/179346360.db2.gz AYVDYYIARBMOJD-DOMZBBRYSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CC1 ZINC000043035896 179346363 /nfs/dbraw/zinc/34/63/63/179346363.db2.gz AYVDYYIARBMOJD-DOMZBBRYSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccc[nH+]c1N(CCC[NH3+])C1CCCCC1 ZINC000051040730 179388826 /nfs/dbraw/zinc/38/88/26/179388826.db2.gz QTCTVMRDKCWXPT-UHFFFAOYSA-N 2 1 247.386 2.878 10 0 BFAEMP CC(C)[N@H+](C)C[C@@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385038 538019792 /nfs/dbraw/zinc/01/97/92/538019792.db2.gz UZCPQTAFOBQHBR-ZDUSSCGKSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)[N@@H+](C)C[C@@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385038 538019797 /nfs/dbraw/zinc/01/97/97/538019797.db2.gz UZCPQTAFOBQHBR-ZDUSSCGKSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000070613298 323204683 /nfs/dbraw/zinc/20/46/83/323204683.db2.gz WXHIAVHQPHDGCL-AWEZNQCLSA-N 2 1 226.408 2.743 10 0 BFAEMP CC(C)[NH2+]CC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000070613298 323204684 /nfs/dbraw/zinc/20/46/84/323204684.db2.gz WXHIAVHQPHDGCL-AWEZNQCLSA-N 2 1 226.408 2.743 10 0 BFAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC1CCCCCC1 ZINC000394652159 349034960 /nfs/dbraw/zinc/03/49/60/349034960.db2.gz ZMVVTQULGRIXQA-TZMCWYRMSA-N 2 1 224.392 2.768 10 0 BFAEMP Cc1[nH+]ccn1[C@@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043016629 180270948 /nfs/dbraw/zinc/27/09/48/180270948.db2.gz WETSRCVPYXXPIM-TVQRCGJNSA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]ccn1[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042947345 180271059 /nfs/dbraw/zinc/27/10/59/180271059.db2.gz AXZNDGDADMEDRD-TVQRCGJNSA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]ccn1[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043053077 180271787 /nfs/dbraw/zinc/27/17/87/180271787.db2.gz YPXIBBOJKGDIAX-NOZJJQNGSA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]ccn1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000023071147 180271872 /nfs/dbraw/zinc/27/18/72/180271872.db2.gz ROLPHDLJTPTQFQ-FRRDWIJNSA-N 2 1 235.375 2.906 10 0 BFAEMP Cc1[nH+]cn([C@H](C)C[NH2+]C2CCCC2)c1C ZINC000053535855 180289940 /nfs/dbraw/zinc/28/99/40/180289940.db2.gz OIFJFNOHLSTTHW-SNVBAGLBSA-N 2 1 221.348 2.593 10 0 BFAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2ccccc2Cl)c1C ZINC000051925909 180290074 /nfs/dbraw/zinc/29/00/74/180290074.db2.gz SFUPIKTVFWAKQY-ZDUSSCGKSA-N 2 1 249.745 2.701 10 0 BFAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C2CCCC2)c1 ZINC000725268126 538099562 /nfs/dbraw/zinc/09/95/62/538099562.db2.gz AFEXZBHBQXQGNQ-CVEARBPZSA-N 2 1 244.382 2.748 10 0 BFAEMP c1nc([C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000616618584 350922702 /nfs/dbraw/zinc/92/27/02/350922702.db2.gz AORREEDOKTXBBH-AWEZNQCLSA-N 2 1 241.338 2.789 10 0 BFAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C2CCCC2)c1 ZINC000725268128 538099762 /nfs/dbraw/zinc/09/97/62/538099762.db2.gz AFEXZBHBQXQGNQ-HZPDHXFCSA-N 2 1 244.382 2.748 10 0 BFAEMP CNc1ccc([C@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616624808 351092626 /nfs/dbraw/zinc/09/26/26/351092626.db2.gz ROELRJQTAPHPBP-OAHLLOKOSA-N 2 1 247.386 2.604 10 0 BFAEMP CNc1ccc([C@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616624808 351092628 /nfs/dbraw/zinc/09/26/28/351092628.db2.gz ROELRJQTAPHPBP-OAHLLOKOSA-N 2 1 247.386 2.604 10 0 BFAEMP CC[N@@H+](Cc1ccccc1)[C@](C)(CC)C[NH3+] ZINC000034958052 351364514 /nfs/dbraw/zinc/36/45/14/351364514.db2.gz YKFQQVGEDSNIND-CQSZACIVSA-N 2 1 220.360 2.636 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725269578 538101742 /nfs/dbraw/zinc/10/17/42/538101742.db2.gz AIIDWPGQQLBZLW-VGVBULKLSA-N 2 1 236.403 2.624 10 0 BFAEMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396627558 358449434 /nfs/dbraw/zinc/44/94/34/358449434.db2.gz ITNPJGFZEDAXCL-YCPHGPKFSA-N 2 1 246.398 2.738 10 0 BFAEMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000053864838 358430429 /nfs/dbraw/zinc/43/04/29/358430429.db2.gz HTTARJQCGFRWMQ-GJZGRUSLSA-N 2 1 232.371 2.636 10 0 BFAEMP CC(C)C[C@H](C)[C@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000306570575 360453589 /nfs/dbraw/zinc/45/35/89/360453589.db2.gz ZAQDARPFRZQPJZ-ZFWWWQNUSA-N 2 1 234.387 2.786 10 0 BFAEMP [NH3+]CC1(C[N@H+]2CCc3ccccc3C2)CCCC1 ZINC000049831986 181358503 /nfs/dbraw/zinc/35/85/03/181358503.db2.gz VRNRUFDWBDTJAF-UHFFFAOYSA-N 2 1 244.382 2.564 10 0 BFAEMP [NH3+]CCCCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050598404 181375568 /nfs/dbraw/zinc/37/55/68/181375568.db2.gz ZCTBHWIMYNDGLI-OAHLLOKOSA-N 2 1 232.371 2.605 10 0 BFAEMP C[C@H](c1ccsc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380556185 367243065 /nfs/dbraw/zinc/24/30/65/367243065.db2.gz KWMYVYNPHVPXHA-NQBHXWOUSA-N 2 1 238.400 2.726 10 0 BFAEMP C[C@@H]1C[N@H+](C2CCC(C)(C)CC2)C[C@@]1(C)C[NH3+] ZINC000383342629 367614982 /nfs/dbraw/zinc/61/49/82/367614982.db2.gz LDZHTXUYXZEJMU-IUODEOHRSA-N 2 1 238.419 2.872 10 0 BFAEMP CC[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839830 369182827 /nfs/dbraw/zinc/18/28/27/369182827.db2.gz LKKOIISGYQQKBU-NWANDNLSSA-N 2 1 232.371 2.664 10 0 BFAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]C1CCCCCC1)C2 ZINC000328635055 371134561 /nfs/dbraw/zinc/13/45/61/371134561.db2.gz NCZFVPCNDHYAAT-CYBMUJFWSA-N 2 1 247.386 2.758 10 0 BFAEMP CCC[N@@H+](C)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000062943742 169075164 /nfs/dbraw/zinc/07/51/64/169075164.db2.gz SZHFJBCTJHDPLY-UHFFFAOYSA-N 2 1 246.398 2.650 10 0 BFAEMP CCC[N@H+](C)CC[C@H]([NH2+]C)c1cccc(F)c1 ZINC000053978549 169077154 /nfs/dbraw/zinc/07/71/54/169077154.db2.gz XJEWIBJVIGZUAM-AWEZNQCLSA-N 2 1 238.350 2.818 10 0 BFAEMP CCC[N@@H+](C)CC[C@H]([NH2+]C)c1cccc(F)c1 ZINC000053978549 169077159 /nfs/dbraw/zinc/07/71/59/169077159.db2.gz XJEWIBJVIGZUAM-AWEZNQCLSA-N 2 1 238.350 2.818 10 0 BFAEMP CCC[N@H+]1CCCC[C@H](C[NH3+])[C@H]1c1ccco1 ZINC000082331105 169191183 /nfs/dbraw/zinc/19/11/83/169191183.db2.gz MKYLGFRVMWQHFQ-OCCSQVGLSA-N 2 1 236.359 2.792 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH+](CC)CC)C[C@@H]1C ZINC000073655974 169206640 /nfs/dbraw/zinc/20/66/40/169206640.db2.gz RAKQYTWEXQVFNT-QWHCGFSZSA-N 2 1 212.381 2.591 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@@H]1C ZINC000073655874 169207122 /nfs/dbraw/zinc/20/71/22/169207122.db2.gz APBZMGNEBUOJKJ-NWDGAFQWSA-N 2 1 212.381 2.637 10 0 BFAEMP CCC[NH2+][C@@H](C)C[N@H+](CCOC)C(CC)CC ZINC000043977236 169275246 /nfs/dbraw/zinc/27/52/46/169275246.db2.gz KSPFYIYFQMJJCK-ZDUSSCGKSA-N 2 1 244.423 2.512 10 0 BFAEMP CCC[NH2+][C@@H](C)C[N@@H+](CCOC)C(CC)CC ZINC000043977236 169275248 /nfs/dbraw/zinc/27/52/48/169275248.db2.gz KSPFYIYFQMJJCK-ZDUSSCGKSA-N 2 1 244.423 2.512 10 0 BFAEMP C[NH+](C)CC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095074250 384350312 /nfs/dbraw/zinc/35/03/12/384350312.db2.gz IOAMZHOLUQIING-INIZCTEOSA-N 2 1 246.398 2.850 10 0 BFAEMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000312765720 384481214 /nfs/dbraw/zinc/48/12/14/384481214.db2.gz MNDICAVJAWQYJT-WPRPVWTQSA-N 2 1 244.791 2.619 10 0 BFAEMP [NH3+]C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000100279310 384632035 /nfs/dbraw/zinc/63/20/35/384632035.db2.gz HCOHDXPCJRZNOY-CVEARBPZSA-N 2 1 244.382 2.638 10 0 BFAEMP C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@]1(C)C[NH3+] ZINC000310361997 384794950 /nfs/dbraw/zinc/79/49/50/384794950.db2.gz KNUARKXKDRKVOL-HXSCFSKGSA-N 2 1 238.419 2.729 10 0 BFAEMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365179499 384908125 /nfs/dbraw/zinc/90/81/25/384908125.db2.gz XCJQECDUNBCNCN-CYBMUJFWSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000365179499 384908129 /nfs/dbraw/zinc/90/81/29/384908129.db2.gz XCJQECDUNBCNCN-CYBMUJFWSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)CCC[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000309334575 385534656 /nfs/dbraw/zinc/53/46/56/385534656.db2.gz AHQMHMLWGAFRKV-KBPBESRZSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)CCC[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000309334575 385534664 /nfs/dbraw/zinc/53/46/64/385534664.db2.gz AHQMHMLWGAFRKV-KBPBESRZSA-N 2 1 226.408 2.741 10 0 BFAEMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396600259 386785162 /nfs/dbraw/zinc/78/51/62/386785162.db2.gz ANXJVLGRWGYFFA-DZKIICNBSA-N 2 1 246.398 2.656 10 0 BFAEMP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CCCC1 ZINC000396715928 387488411 /nfs/dbraw/zinc/48/84/11/387488411.db2.gz OHCQAZMRMGSULA-KWCYVHTRSA-N 2 1 224.392 2.685 10 0 BFAEMP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C1C[NH2+]C1 ZINC000422811700 387712517 /nfs/dbraw/zinc/71/25/17/387712517.db2.gz VFKLBEKRKUMMJP-SFYZADRCSA-N 2 1 244.791 2.660 10 0 BFAEMP C[C@H](CCC[NH3+])Nc1[nH+]ccc2ccccc21 ZINC000168815640 387917405 /nfs/dbraw/zinc/91/74/05/387917405.db2.gz IXFFZQAEAPDNFJ-LLVKDONJSA-N 2 1 229.327 2.774 10 0 BFAEMP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)o1 ZINC000423215166 387997291 /nfs/dbraw/zinc/99/72/91/387997291.db2.gz NOYMLACMVJDYJZ-BKQLOGFTSA-N 2 1 248.370 2.830 10 0 BFAEMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)[C@H]1C[C@@H]1C ZINC000322211005 388032304 /nfs/dbraw/zinc/03/23/04/388032304.db2.gz UJTPFBMQFJGJJM-AJNGGQMLSA-N 2 1 238.419 2.741 10 0 BFAEMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2)[C@H]1C ZINC000575519171 388356425 /nfs/dbraw/zinc/35/64/25/388356425.db2.gz DHYPIPXNBQPDQY-IPYPFGDCSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575519171 388356428 /nfs/dbraw/zinc/35/64/28/388356428.db2.gz DHYPIPXNBQPDQY-IPYPFGDCSA-N 2 1 232.371 2.634 10 0 BFAEMP C[C@@H]1C[N@H+]([C@@H]2CCCC(C)(C)C2)C[C@@]1(C)C[NH3+] ZINC000310065845 388475408 /nfs/dbraw/zinc/47/54/08/388475408.db2.gz BHZBIWRWDCANEB-UMVBOHGHSA-N 2 1 238.419 2.872 10 0 BFAEMP CCC[NH2+]C[C@@H]1CCCN(c2[nH+]cccc2C)C1 ZINC000053701261 132363250 /nfs/dbraw/zinc/36/32/50/132363250.db2.gz PDMSVJLMJOPNAH-AWEZNQCLSA-N 2 1 247.386 2.606 10 0 BFAEMP CCc1nccn1[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000171614239 134257300 /nfs/dbraw/zinc/25/73/00/134257300.db2.gz KITVFBIBYIMJGJ-ZDUSSCGKSA-N 2 1 235.375 2.738 10 0 BFAEMP CC/C=C/CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000184450910 134361248 /nfs/dbraw/zinc/36/12/48/134361248.db2.gz DUTTVXUBYSVGKF-ONEGZZNKSA-N 2 1 236.403 2.903 10 0 BFAEMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CN)c1 ZINC000227192144 134375064 /nfs/dbraw/zinc/37/50/64/134375064.db2.gz NMZNPQXIOWPHIU-GDBMZVCRSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000227192144 134375065 /nfs/dbraw/zinc/37/50/65/134375065.db2.gz NMZNPQXIOWPHIU-GDBMZVCRSA-N 2 1 246.398 2.863 10 0 BFAEMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000227192144 134375066 /nfs/dbraw/zinc/37/50/66/134375066.db2.gz NMZNPQXIOWPHIU-GDBMZVCRSA-N 2 1 246.398 2.863 10 0 BFAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCC(C)CC2)C1 ZINC000227489410 134381293 /nfs/dbraw/zinc/38/12/93/134381293.db2.gz JUCRMKSZROCLIU-OOJKYFRXSA-N 2 1 238.419 2.872 10 0 BFAEMP CCc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000250507706 135056393 /nfs/dbraw/zinc/05/63/93/135056393.db2.gz JWIITYRUAWMYOD-CZUORRHYSA-N 2 1 246.398 2.808 10 0 BFAEMP CCc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000250507706 135056394 /nfs/dbraw/zinc/05/63/94/135056394.db2.gz JWIITYRUAWMYOD-CZUORRHYSA-N 2 1 246.398 2.808 10 0 BFAEMP Cc1ccccc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261543219 135183988 /nfs/dbraw/zinc/18/39/88/135183988.db2.gz RUHHKGNJAMKBTR-WFASDCNBSA-N 2 1 232.371 2.554 10 0 BFAEMP Cc1ccccc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261543219 135183990 /nfs/dbraw/zinc/18/39/90/135183990.db2.gz RUHHKGNJAMKBTR-WFASDCNBSA-N 2 1 232.371 2.554 10 0 BFAEMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000261557715 135198739 /nfs/dbraw/zinc/19/87/39/135198739.db2.gz RVRXYHUYTIVMSJ-NEPJUHHUSA-N 2 1 248.361 2.775 10 0 BFAEMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](C)[NH3+])s1 ZINC000261566881 135208855 /nfs/dbraw/zinc/20/88/55/135208855.db2.gz DRKXFBJWCKEANS-ONGXEEELSA-N 2 1 224.373 2.541 10 0 BFAEMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](C)[NH3+])s1 ZINC000261566881 135208856 /nfs/dbraw/zinc/20/88/56/135208856.db2.gz DRKXFBJWCKEANS-ONGXEEELSA-N 2 1 224.373 2.541 10 0 BFAEMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261567791 135209248 /nfs/dbraw/zinc/20/92/48/135209248.db2.gz FCUDFCZNDHLBGV-GFCCVEGCSA-N 2 1 238.400 2.616 10 0 BFAEMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000164489075 135373153 /nfs/dbraw/zinc/37/31/53/135373153.db2.gz MCJIODLPHACTJE-BFHYXJOUSA-N 2 1 226.408 2.885 10 0 BFAEMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000164489075 135373154 /nfs/dbraw/zinc/37/31/54/135373154.db2.gz MCJIODLPHACTJE-BFHYXJOUSA-N 2 1 226.408 2.885 10 0 BFAEMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000312765709 322923760 /nfs/dbraw/zinc/92/37/60/322923760.db2.gz MNDICAVJAWQYJT-PSASIEDQSA-N 2 1 244.791 2.619 10 0 BFAEMP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccco1 ZINC000052456618 167004632 /nfs/dbraw/zinc/00/46/32/167004632.db2.gz MQGVLUPMPFZVPX-CYBMUJFWSA-N 2 1 238.375 2.593 10 0 BFAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccco1 ZINC000052456618 167004635 /nfs/dbraw/zinc/00/46/35/167004635.db2.gz MQGVLUPMPFZVPX-CYBMUJFWSA-N 2 1 238.375 2.593 10 0 BFAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)Cc1ccco1 ZINC000052456620 167006893 /nfs/dbraw/zinc/00/68/93/167006893.db2.gz MQGVLUPMPFZVPX-ZDUSSCGKSA-N 2 1 238.375 2.593 10 0 BFAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccco1 ZINC000052456620 167006894 /nfs/dbraw/zinc/00/68/94/167006894.db2.gz MQGVLUPMPFZVPX-ZDUSSCGKSA-N 2 1 238.375 2.593 10 0 BFAEMP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)C(C)C ZINC000052419702 167010118 /nfs/dbraw/zinc/01/01/18/167010118.db2.gz CMASYNVKDOWUFH-UHFFFAOYSA-N 2 1 238.375 2.865 10 0 BFAEMP CC(C)c1[nH+]ccn1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000037160271 167693588 /nfs/dbraw/zinc/69/35/88/167693588.db2.gz ZZLVZOHGXPTTRP-NWDGAFQWSA-N 2 1 221.348 2.697 10 0 BFAEMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396730382 411240588 /nfs/dbraw/zinc/24/05/88/411240588.db2.gz YCQXYBMAHCQITF-MQYQWHSLSA-N 2 1 224.392 2.685 10 0 BFAEMP CC1([NH2+]C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000095089628 168062425 /nfs/dbraw/zinc/06/24/25/168062425.db2.gz CTTDKQUGPSAKLC-UHFFFAOYSA-N 2 1 244.382 2.793 10 0 BFAEMP CC1CCC([N@@H+](C)C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053878824 168159158 /nfs/dbraw/zinc/15/91/58/168159158.db2.gz BMIPOLVXFZPTTJ-HHTDUIENSA-N 2 1 224.392 2.624 10 0 BFAEMP CC[N@H+](Cc1cc(C[NH3+])ccc1F)CC(C)C ZINC000037111013 169901820 /nfs/dbraw/zinc/90/18/20/169901820.db2.gz OFQKYUDWAZFTTN-UHFFFAOYSA-N 2 1 238.350 2.762 10 0 BFAEMP CC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000037241333 170109233 /nfs/dbraw/zinc/10/92/33/170109233.db2.gz SQSULUXSFBMQBO-CYBMUJFWSA-N 2 1 232.371 2.822 10 0 BFAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)CC ZINC000054626537 170109412 /nfs/dbraw/zinc/10/94/12/170109412.db2.gz XNBQWZRDGZFQNF-YHWZYXNKSA-N 2 1 224.392 2.780 10 0 BFAEMP CC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000095091440 170109697 /nfs/dbraw/zinc/10/96/97/170109697.db2.gz DBGRZBHLVASMNS-MZBDJJRSSA-N 2 1 246.398 2.753 10 0 BFAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000053654046 170120277 /nfs/dbraw/zinc/12/02/77/170120277.db2.gz LHQZNSATCWPYDM-INIZCTEOSA-N 2 1 246.398 2.817 10 0 BFAEMP CC[NH2+]Cc1cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)oc1C ZINC000052543804 170125685 /nfs/dbraw/zinc/12/56/85/170125685.db2.gz XJBLOJDZSQJVKG-GXTWGEPZSA-N 2 1 248.370 2.682 10 0 BFAEMP CC[NH2+]Cc1cc(Cn2c[nH+]c(C)c2C)c(C)o1 ZINC000052593739 170125763 /nfs/dbraw/zinc/12/57/63/170125763.db2.gz WXLDQNJZZHTPRN-UHFFFAOYSA-N 2 1 247.342 2.559 10 0 BFAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)CCC(C)C)o1 ZINC000052545836 170126752 /nfs/dbraw/zinc/12/67/52/170126752.db2.gz MIBJVBZCOSVVCE-UHFFFAOYSA-N 2 1 238.375 2.867 10 0 BFAEMP CC[NH2+]Cc1oc(C[N@H+]2CCC[C@H]2C)cc1C ZINC000052376210 170132223 /nfs/dbraw/zinc/13/22/23/170132223.db2.gz HITDQNQNFMCLAH-GFCCVEGCSA-N 2 1 236.359 2.682 10 0 BFAEMP CC[NH2+][C@@H]1CCC[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000053869337 170151172 /nfs/dbraw/zinc/15/11/72/170151172.db2.gz JAGAJSHGYLZKAU-JKSUJKDBSA-N 2 1 244.382 2.780 10 0 BFAEMP CC[NH2+][C@H](C)[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598976 170158626 /nfs/dbraw/zinc/15/86/26/170158626.db2.gz SCTHICXXYHOHKR-YCPHGPKFSA-N 2 1 246.398 2.862 10 0 BFAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598976 170158627 /nfs/dbraw/zinc/15/86/27/170158627.db2.gz SCTHICXXYHOHKR-YCPHGPKFSA-N 2 1 246.398 2.862 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](C(C2CC2)C2CC2)[C@H](C)C1 ZINC000049713722 170166773 /nfs/dbraw/zinc/16/67/73/170166773.db2.gz IEJMNSDGLUJYLY-RISCZKNCSA-N 2 1 236.403 2.637 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H](C)C[NH2+]1 ZINC000049664195 171011739 /nfs/dbraw/zinc/01/17/39/171011739.db2.gz HEJXHUKSKYTQRB-GDBMZVCRSA-N 2 1 246.398 2.897 10 0 BFAEMP CC[C@@H]1C[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096985066 171101189 /nfs/dbraw/zinc/10/11/89/171101189.db2.gz ZPNZSWOGOBFLSW-HZPDHXFCSA-N 2 1 244.382 2.508 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042910293 172028950 /nfs/dbraw/zinc/02/89/50/172028950.db2.gz VLPKPCMIIIXORN-WFASDCNBSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043038040 172028992 /nfs/dbraw/zinc/02/89/92/172028992.db2.gz ONPUJBVZRWRMRJ-SWLSCSKDSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@H]1CCCCC[C@H]1[NH2+]C ZINC000044037116 172029531 /nfs/dbraw/zinc/02/95/31/172029531.db2.gz RUOWNAMLTAOGDY-NEPJUHHUSA-N 2 1 221.348 2.539 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042910289 172029953 /nfs/dbraw/zinc/02/99/53/172029953.db2.gz VLPKPCMIIIXORN-SWLSCSKDSA-N 2 1 243.354 2.691 10 0 BFAEMP C[N@H+]1CCCC[C@H](C[NH3+])[C@H]1c1cccc(F)c1 ZINC000082335400 173007360 /nfs/dbraw/zinc/00/73/60/173007360.db2.gz GPSYSATUMDWGPH-TZMCWYRMSA-N 2 1 236.334 2.557 10 0 BFAEMP C[NH2+]CCC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095075980 173350431 /nfs/dbraw/zinc/35/04/31/173350431.db2.gz IAIHTBDKHCTEIZ-INIZCTEOSA-N 2 1 246.398 2.898 10 0 BFAEMP C[NH2+]C[C@H](C)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505286 173375590 /nfs/dbraw/zinc/37/55/90/173375590.db2.gz RKBVSGOGQIQQEK-QWRGUYRKSA-N 2 1 238.400 2.523 10 0 BFAEMP C[NH2+]C[C@H](C)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505286 173375592 /nfs/dbraw/zinc/37/55/92/173375592.db2.gz RKBVSGOGQIQQEK-QWRGUYRKSA-N 2 1 238.400 2.523 10 0 BFAEMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1cccc(C)c1 ZINC000039781810 173379756 /nfs/dbraw/zinc/37/97/56/173379756.db2.gz VXJNVJSRVNYPDE-MRXNPFEDSA-N 2 1 246.398 2.611 10 0 BFAEMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1cccc(C)c1 ZINC000039781810 173379758 /nfs/dbraw/zinc/37/97/58/173379758.db2.gz VXJNVJSRVNYPDE-MRXNPFEDSA-N 2 1 246.398 2.611 10 0 BFAEMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000049713960 176018201 /nfs/dbraw/zinc/01/82/01/176018201.db2.gz GFXXCJOZNXWTGY-UHIISALHSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000049713960 176018202 /nfs/dbraw/zinc/01/82/02/176018202.db2.gz GFXXCJOZNXWTGY-UHIISALHSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020071582 176073292 /nfs/dbraw/zinc/07/32/92/176073292.db2.gz UKGAENBGLOVKBD-QPSCCSFWSA-N 2 1 236.403 2.782 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020071582 176073294 /nfs/dbraw/zinc/07/32/94/176073294.db2.gz UKGAENBGLOVKBD-QPSCCSFWSA-N 2 1 236.403 2.782 10 0 BFAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1(C)CC[NH2+]CC1 ZINC000062841866 176078408 /nfs/dbraw/zinc/07/84/08/176078408.db2.gz LMTCDEUWEIIYOI-KGLIPLIRSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CC1CCC1 ZINC000061486488 176081035 /nfs/dbraw/zinc/08/10/35/176081035.db2.gz SWSYTOMEKNDSNS-HIFRSBDPSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CC1CCC1 ZINC000061486488 176081037 /nfs/dbraw/zinc/08/10/37/176081037.db2.gz SWSYTOMEKNDSNS-HIFRSBDPSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000020282587 176229109 /nfs/dbraw/zinc/22/91/09/176229109.db2.gz LTPYDUURZCTDIC-KCXAZCMYSA-N 2 1 244.382 2.561 10 0 BFAEMP C[C@@H]1CC[C@H]([NH3+])[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000020282587 176229110 /nfs/dbraw/zinc/22/91/10/176229110.db2.gz LTPYDUURZCTDIC-KCXAZCMYSA-N 2 1 244.382 2.561 10 0 BFAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC[NH2+]C1CCCCC1 ZINC000104409571 176391830 /nfs/dbraw/zinc/39/18/30/176391830.db2.gz LKYCTJZHJXBTQB-ZIAGYGMSSA-N 2 1 238.419 2.887 10 0 BFAEMP C[C@H]1CCCC[N@H+]1CC1(C[NH3+])CCCCC1 ZINC000049819833 177075328 /nfs/dbraw/zinc/07/53/28/177075328.db2.gz MHPKJCNBNGDHCD-ZDUSSCGKSA-N 2 1 224.392 2.770 10 0 BFAEMP C[C@@H](C[NH2+]C(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000052378550 177079054 /nfs/dbraw/zinc/07/90/54/177079054.db2.gz ZGPMSRWFPBBJMI-RYUDHWBXSA-N 2 1 212.381 2.637 10 0 BFAEMP C[C@@H](C[NH2+]C(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000052378550 177079056 /nfs/dbraw/zinc/07/90/56/177079056.db2.gz ZGPMSRWFPBBJMI-RYUDHWBXSA-N 2 1 212.381 2.637 10 0 BFAEMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000019401461 177101186 /nfs/dbraw/zinc/10/11/86/177101186.db2.gz FIJQTLIVNDBRRC-NSHDSACASA-N 2 1 236.334 2.516 10 0 BFAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC(C)(C)C[NH2+]C1CC1 ZINC000051748536 177159100 /nfs/dbraw/zinc/15/91/00/177159100.db2.gz GQYXHHVUFOXRHA-QWHCGFSZSA-N 2 1 238.419 2.885 10 0 BFAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CCc2ccccc2)C1 ZINC000049664778 177160823 /nfs/dbraw/zinc/16/08/23/177160823.db2.gz LTUVGYHXIXONCF-CABCVRRESA-N 2 1 246.398 2.549 10 0 BFAEMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666673 177169673 /nfs/dbraw/zinc/16/96/73/177169673.db2.gz JGFRCIJBEYPTAJ-MJBXVCDLSA-N 2 1 247.386 2.605 10 0 BFAEMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666673 177169674 /nfs/dbraw/zinc/16/96/74/177169674.db2.gz JGFRCIJBEYPTAJ-MJBXVCDLSA-N 2 1 247.386 2.605 10 0 BFAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH+](C)C ZINC000095090640 177266718 /nfs/dbraw/zinc/26/67/18/177266718.db2.gz JCSYAXRFKNHZDK-MZBDJJRSSA-N 2 1 246.398 2.705 10 0 BFAEMP C[C@H]1C[NH2+]C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096985063 177285522 /nfs/dbraw/zinc/28/55/22/177285522.db2.gz XZJQKOZNXFMHON-GOEBONIOSA-N 2 1 244.382 2.508 10 0 BFAEMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000035731327 177312718 /nfs/dbraw/zinc/31/27/18/177312718.db2.gz NXHKKSSTJBNWKE-IJEWVQPXSA-N 2 1 246.398 2.707 10 0 BFAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CCCC1CCCCC1 ZINC000395127607 323188275 /nfs/dbraw/zinc/18/82/75/323188275.db2.gz ORPJBNINORZZMJ-OCCSQVGLSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CCCC1CCCCC1 ZINC000395127607 323188276 /nfs/dbraw/zinc/18/82/76/323188276.db2.gz ORPJBNINORZZMJ-OCCSQVGLSA-N 2 1 224.392 2.768 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757134911 582513089 /nfs/dbraw/zinc/51/30/89/582513089.db2.gz XKCXQDILYZKMNP-HZSPNIEDSA-N 2 1 224.392 2.782 10 0 BFAEMP CCCC[N@H+]1CC[C@@H]([NH2+]CC(C)C)C[C@H]1C ZINC000242463854 520595585 /nfs/dbraw/zinc/59/55/85/520595585.db2.gz DONJKILCTURYAC-ZIAGYGMSSA-N 2 1 226.408 2.885 10 0 BFAEMP C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1[NH3+] ZINC000247954482 525099818 /nfs/dbraw/zinc/09/98/18/525099818.db2.gz ZOZDGKPSUAGAMX-HCZIRCDUSA-N 2 1 246.398 2.879 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000252512907 535824670 /nfs/dbraw/zinc/82/46/70/535824670.db2.gz DLHNMUKHODWIRF-CBBWQLFWSA-N 2 1 236.403 2.782 10 0 BFAEMP CC[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248374968 536148312 /nfs/dbraw/zinc/14/83/12/536148312.db2.gz VIGZLGZZVSPDSE-KBPBESRZSA-N 2 1 247.386 2.922 10 0 BFAEMP CC[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248374968 536148315 /nfs/dbraw/zinc/14/83/15/536148315.db2.gz VIGZLGZZVSPDSE-KBPBESRZSA-N 2 1 247.386 2.922 10 0 BFAEMP CCCCC[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757123505 582498540 /nfs/dbraw/zinc/49/85/40/582498540.db2.gz ACXDYQKKBMQOMG-KGLIPLIRSA-N 2 1 224.392 2.641 10 0 BFAEMP C[C@@H]1C[NH2+]C[C@]2(CCC[N@H+]2CCC2CCC2)C1 ZINC000757126923 582501508 /nfs/dbraw/zinc/50/15/08/582501508.db2.gz HRRSUWBCXJKVMU-ZFWWWQNUSA-N 2 1 236.403 2.641 10 0 BFAEMP C[C@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCC1CCC1 ZINC000757129412 582504142 /nfs/dbraw/zinc/50/41/42/582504142.db2.gz LGKZCQLUWQUAMC-UKRRQHHQSA-N 2 1 236.403 2.783 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757134927 582513024 /nfs/dbraw/zinc/51/30/24/582513024.db2.gz XKCXQDILYZKMNP-MELADBBJSA-N 2 1 224.392 2.782 10 0 BFAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757134987 582513810 /nfs/dbraw/zinc/51/38/10/582513810.db2.gz XOKBWTOXJLXZPB-UMVBOHGHSA-N 2 1 236.403 2.782 10 0 BFAEMP CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000675052512 583302011 /nfs/dbraw/zinc/30/20/11/583302011.db2.gz ATTVRBYWIDUCRN-CHWSQXEVSA-N 2 1 238.762 2.824 10 0 BFAEMP CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000675052512 583302013 /nfs/dbraw/zinc/30/20/13/583302013.db2.gz ATTVRBYWIDUCRN-CHWSQXEVSA-N 2 1 238.762 2.824 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757131119 586426308 /nfs/dbraw/zinc/42/63/08/586426308.db2.gz PILGFWBOIHHMLK-JSGCOSHPSA-N 2 1 224.392 2.782 10 0 BFAEMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000310443938 634146825 /nfs/dbraw/zinc/14/68/25/634146825.db2.gz QMOWWSOUEFFCMH-CQSZACIVSA-N 2 1 234.387 2.547 10 0 BFAEMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000310443938 634146827 /nfs/dbraw/zinc/14/68/27/634146827.db2.gz QMOWWSOUEFFCMH-CQSZACIVSA-N 2 1 234.387 2.547 10 0 BFAEMP [NH3+][C@@H]1CC[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000227652115 640844130 /nfs/dbraw/zinc/84/41/30/640844130.db2.gz ZYNDRVRCAXXEJQ-WCQYABFASA-N 2 1 241.338 2.774 10 0 BFAEMP CCCCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000087399094 640884158 /nfs/dbraw/zinc/88/41/58/640884158.db2.gz PZZRLHQHMHRAJJ-GFCCVEGCSA-N 2 1 212.381 2.544 10 0 BFAEMP CCC[N@H+]1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000076453356 641174997 /nfs/dbraw/zinc/17/49/97/641174997.db2.gz ALGCXVBUFFWJPH-MRXNPFEDSA-N 2 1 246.398 2.551 10 0 BFAEMP C[N@H+](CC[NH2+]CCc1ccccc1)C1CCCC1 ZINC000071376614 642455717 /nfs/dbraw/zinc/45/57/17/642455717.db2.gz ULWDUSFPYSWRMW-UHFFFAOYSA-N 2 1 246.398 2.693 10 0 BFAEMP C[N@@H+](CC[NH2+]CCc1ccccc1)C1CCCC1 ZINC000071376614 642455723 /nfs/dbraw/zinc/45/57/23/642455723.db2.gz ULWDUSFPYSWRMW-UHFFFAOYSA-N 2 1 246.398 2.693 10 0 BFAEMP C[N@H+]1CC[C@@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000685953995 538898504 /nfs/dbraw/zinc/89/85/04/538898504.db2.gz KFEWITYVXVMMAX-LLVKDONJSA-N 2 1 224.392 2.624 10 0 BFAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@]12CCCC(C)(C)C2 ZINC000685952695 538897043 /nfs/dbraw/zinc/89/70/43/538897043.db2.gz CBXMIICWJNIQHQ-TZMCWYRMSA-N 2 1 224.392 2.767 10 0 BFAEMP CCC(CC)(C[NH3+])C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000051206821 168323079 /nfs/dbraw/zinc/32/30/79/168323079.db2.gz FAWIMNZRSQJWES-BETUJISGSA-N 2 1 226.408 2.729 10 0 BFAEMP CCC(CC)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000019481781 168323099 /nfs/dbraw/zinc/32/30/99/168323099.db2.gz MRVSMVOGDXUGBH-UHFFFAOYSA-N 2 1 220.360 2.636 10 0 BFAEMP CCC(CC)(C[NH3+])C[N@H+]1CCCC[C@@H]1C ZINC000051208820 168323212 /nfs/dbraw/zinc/32/32/12/168323212.db2.gz ZVOANWJGXIXBDM-LBPRGKRZSA-N 2 1 212.381 2.626 10 0 BFAEMP Cc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc[nH+]1 ZINC000302586139 178191070 /nfs/dbraw/zinc/19/10/70/178191070.db2.gz UVHYAOPFVHHGQS-RISCZKNCSA-N 2 1 233.359 2.531 10 0 BFAEMP CCC(CC)[N@@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000036788563 168369586 /nfs/dbraw/zinc/36/95/86/168369586.db2.gz YJKLJXZQCVNSFI-UHFFFAOYSA-N 2 1 238.350 2.905 10 0 BFAEMP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381579414 398264646 /nfs/dbraw/zinc/26/46/46/398264646.db2.gz BJUIXENQMJYMRL-VXGBXAGGSA-N 2 1 246.345 2.625 10 0 BFAEMP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381579414 398264651 /nfs/dbraw/zinc/26/46/51/398264651.db2.gz BJUIXENQMJYMRL-VXGBXAGGSA-N 2 1 246.345 2.625 10 0 BFAEMP Cc1ccc(C)c(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000258723880 136373847 /nfs/dbraw/zinc/37/38/47/136373847.db2.gz IPOGTYAEBLTHSU-HNNXBMFYSA-N 2 1 246.398 2.863 10 0 BFAEMP CC[N@H+](Cc1ccccc1)C[C@H]1CCC[C@H]1[NH3+] ZINC000249705317 362276253 /nfs/dbraw/zinc/27/62/53/362276253.db2.gz HTTARJQCGFRWMQ-HUUCEWRRSA-N 2 1 232.371 2.636 10 0 BFAEMP Cc1cccc(C[N@H+](CCC(N)=[NH2+])C(C)C)c1 ZINC000042529713 179070945 /nfs/dbraw/zinc/07/09/45/179070945.db2.gz QWIYNQCXQNMTGP-UHFFFAOYSA-N 2 1 233.359 2.531 10 0 BFAEMP Cc1cccc(C[N@H+](CC[NH3+])C2CCCC2)c1 ZINC000032089686 179071848 /nfs/dbraw/zinc/07/18/48/179071848.db2.gz UEBLRCSWWWJVCZ-UHFFFAOYSA-N 2 1 232.371 2.698 10 0 BFAEMP Cc1cccc(C[N@@H+](CC[NH3+])C2CCCC2)c1 ZINC000032089686 179071851 /nfs/dbraw/zinc/07/18/51/179071851.db2.gz UEBLRCSWWWJVCZ-UHFFFAOYSA-N 2 1 232.371 2.698 10 0 BFAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@@H](C)CC2)c1 ZINC000044390361 179074177 /nfs/dbraw/zinc/07/41/77/179074177.db2.gz ZYAISSVLKVARFY-AWEZNQCLSA-N 2 1 232.371 2.569 10 0 BFAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000042966733 179188194 /nfs/dbraw/zinc/18/81/94/179188194.db2.gz VNVCALLKXBGHTB-GZBFAFLISA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000042966733 179188197 /nfs/dbraw/zinc/18/81/97/179188197.db2.gz VNVCALLKXBGHTB-GZBFAFLISA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1ccccc1C[N@H+](CC[NH3+])C1CCCC1 ZINC000032089682 179272259 /nfs/dbraw/zinc/27/22/59/179272259.db2.gz NZIIGJQCTRFRQB-UHFFFAOYSA-N 2 1 232.371 2.698 10 0 BFAEMP Cc1ccccc1C[N@@H+](CC[NH3+])C1CCCC1 ZINC000032089682 179272261 /nfs/dbraw/zinc/27/22/61/179272261.db2.gz NZIIGJQCTRFRQB-UHFFFAOYSA-N 2 1 232.371 2.698 10 0 BFAEMP Cc1ccccc1C[N@@H+](C)[C@H](C[NH3+])C1CCCC1 ZINC000050272243 179268964 /nfs/dbraw/zinc/26/89/64/179268964.db2.gz OYJVDULDFVOQBT-MRXNPFEDSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1ccccc1C[N@H+](C)[C@H](C[NH3+])C1CCCC1 ZINC000050272243 179268965 /nfs/dbraw/zinc/26/89/65/179268965.db2.gz OYJVDULDFVOQBT-MRXNPFEDSA-N 2 1 246.398 2.944 10 0 BFAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCC[C@@H]1C ZINC000043035855 179327654 /nfs/dbraw/zinc/32/76/54/179327654.db2.gz WZSCFORODBZRDO-GZBFAFLISA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC[C@@H]1C ZINC000043035855 179327657 /nfs/dbraw/zinc/32/76/57/179327657.db2.gz WZSCFORODBZRDO-GZBFAFLISA-N 2 1 232.371 2.868 10 0 BFAEMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713906 179335571 /nfs/dbraw/zinc/33/55/71/179335571.db2.gz NQGULSQWKZVUPQ-IPYPFGDCSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1[nH+]ccn1CCC[NH2+]CC1CCC(C)CC1 ZINC000337947794 180243730 /nfs/dbraw/zinc/24/37/30/180243730.db2.gz BHLVIIOORGUASN-UHFFFAOYSA-N 2 1 249.402 2.998 10 0 BFAEMP Cc1[nH+]ccn1[C@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043053085 180271195 /nfs/dbraw/zinc/27/11/95/180271195.db2.gz YPXIBBOJKGDIAX-ZANVPECISA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]cn(Cc2ccoc2C[NH2+]C(C)C)c1C ZINC000052593515 180289709 /nfs/dbraw/zinc/28/97/09/180289709.db2.gz MSLOQEQLOFJPIN-UHFFFAOYSA-N 2 1 247.342 2.639 10 0 BFAEMP CC[C@@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000163509002 350524079 /nfs/dbraw/zinc/52/40/79/350524079.db2.gz PRIPLGVYFOBPDT-CYBMUJFWSA-N 2 1 247.386 2.747 10 0 BFAEMP Cc1oc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cc1C[NH3+] ZINC000052509991 180532077 /nfs/dbraw/zinc/53/20/77/180532077.db2.gz KHPOVLSEDUJILB-MNOVXSKESA-N 2 1 236.359 2.667 10 0 BFAEMP CC[N@@H+](Cc1ccccc1)[C@H](C)CCC[NH2+]C ZINC000052443786 351001511 /nfs/dbraw/zinc/00/15/11/351001511.db2.gz BNDSTKIIYJQFQW-CQSZACIVSA-N 2 1 234.387 2.897 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414933542 352340778 /nfs/dbraw/zinc/34/07/78/352340778.db2.gz AQPKBYLSXWAPDW-PMOUVXMZSA-N 2 1 236.403 2.685 10 0 BFAEMP NC(=[NH2+])CCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000049579750 181186178 /nfs/dbraw/zinc/18/61/78/181186178.db2.gz FHNIZKYLXJMZIR-STQMWFEESA-N 2 1 237.391 2.747 10 0 BFAEMP C[C@H]1CCC[N@@H+](C2CC3(C2)CC[NH2+]CC3)[C@H]1C ZINC000675069276 538498538 /nfs/dbraw/zinc/49/85/38/538498538.db2.gz DVIPKKBDSCCIGT-STQMWFEESA-N 2 1 236.403 2.639 10 0 BFAEMP CC1CCC(C[NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000232813836 491102383 /nfs/dbraw/zinc/10/23/83/491102383.db2.gz CLISIGCBWZKAOG-RUXDESIVSA-N 2 1 224.392 2.544 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000069797020 359033877 /nfs/dbraw/zinc/03/38/77/359033877.db2.gz NCMIJNPZDFPKGO-AAEUAGOBSA-N 2 1 238.400 2.739 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000069797020 359033882 /nfs/dbraw/zinc/03/38/82/359033882.db2.gz NCMIJNPZDFPKGO-AAEUAGOBSA-N 2 1 238.400 2.739 10 0 BFAEMP CC(C)C[C@@H](C)[C@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000306570573 360454009 /nfs/dbraw/zinc/45/40/09/360454009.db2.gz ZAQDARPFRZQPJZ-HIFRSBDPSA-N 2 1 234.387 2.786 10 0 BFAEMP [NH3+]CCCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000049580715 181375409 /nfs/dbraw/zinc/37/54/09/181375409.db2.gz QODGFLXFKZRKBT-OAHLLOKOSA-N 2 1 232.371 2.953 10 0 BFAEMP [NH3+]CCC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000104319673 181385783 /nfs/dbraw/zinc/38/57/83/181385783.db2.gz GBSYQIHDGFHEPL-AWEZNQCLSA-N 2 1 236.334 2.529 10 0 BFAEMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000381378461 367391485 /nfs/dbraw/zinc/39/14/85/367391485.db2.gz KMDZLGGDXYVZCX-QWHCGFSZSA-N 2 1 226.408 2.743 10 0 BFAEMP CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000381542117 367427436 /nfs/dbraw/zinc/42/74/36/367427436.db2.gz IKJNXKXOJYKKDC-STQMWFEESA-N 2 1 226.408 2.741 10 0 BFAEMP [NH3+]Cc1oc2ccccc2c1C[NH+]1CCCCC1 ZINC000052421211 181508976 /nfs/dbraw/zinc/50/89/76/181508976.db2.gz ZBNFALKMRXCGBL-UHFFFAOYSA-N 2 1 244.338 2.877 10 0 BFAEMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631839315 372635732 /nfs/dbraw/zinc/63/57/32/372635732.db2.gz DNPUNODYVKHHBJ-IPYPFGDCSA-N 2 1 232.371 2.583 10 0 BFAEMP Cc1cccc([C@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631839316 372637098 /nfs/dbraw/zinc/63/70/98/372637098.db2.gz DNPUNODYVKHHBJ-KCQAQPDRSA-N 2 1 232.371 2.583 10 0 BFAEMP CCC[N@H+](CC)[C@H](c1cccc(F)c1)[C@@H](C)N ZINC000042971310 169131897 /nfs/dbraw/zinc/13/18/97/169131897.db2.gz MSCUIEGMWXGZNF-RISCZKNCSA-N 2 1 238.350 2.946 10 0 BFAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](CC)CCOCC ZINC000104190910 169256386 /nfs/dbraw/zinc/25/63/86/169256386.db2.gz QFEJMVFQSSTKHB-CQSZACIVSA-N 2 1 244.423 2.513 10 0 BFAEMP c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000096895236 183398484 /nfs/dbraw/zinc/39/84/84/183398484.db2.gz YENIKBKOHNVCKT-JKSUJKDBSA-N 2 1 244.382 2.651 10 0 BFAEMP c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000096985042 183399974 /nfs/dbraw/zinc/39/99/74/183399974.db2.gz ZZAVDRJABMDWGG-JKSUJKDBSA-N 2 1 244.382 2.793 10 0 BFAEMP c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000096985042 183399975 /nfs/dbraw/zinc/39/99/75/183399975.db2.gz ZZAVDRJABMDWGG-JKSUJKDBSA-N 2 1 244.382 2.793 10 0 BFAEMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000036790811 169364920 /nfs/dbraw/zinc/36/49/20/169364920.db2.gz JFKBOGJTHZIPFE-LLVKDONJSA-N 2 1 233.359 2.591 10 0 BFAEMP CCC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]C)c(C)o1 ZINC000052480558 169365000 /nfs/dbraw/zinc/36/50/00/169365000.db2.gz LTMZJZKDQDSDJA-LLVKDONJSA-N 2 1 238.375 2.928 10 0 BFAEMP C[C@H]1C[C@@H]([NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592746 384001957 /nfs/dbraw/zinc/00/19/57/384001957.db2.gz ZJJABKUGECYXQM-SFDCQRBFSA-N 2 1 232.371 2.633 10 0 BFAEMP Cc1[nH+]ccn1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC000091365840 384122805 /nfs/dbraw/zinc/12/28/05/384122805.db2.gz PFAWUXCGGHANSK-UHFFFAOYSA-N 2 1 241.338 2.648 10 0 BFAEMP CC(C)C[C@H](C[NH3+])Nc1cc[nH+]cc1Cl ZINC000086839970 384700478 /nfs/dbraw/zinc/70/04/78/384700478.db2.gz QVZMTLRAXOVVJA-SECBINFHSA-N 2 1 227.739 2.520 10 0 BFAEMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000062615858 385246874 /nfs/dbraw/zinc/24/68/74/385246874.db2.gz UXJYGWHQMKGXHA-OAHLLOKOSA-N 2 1 232.371 2.507 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])[C@@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000169616713 385415930 /nfs/dbraw/zinc/41/59/30/385415930.db2.gz ZJJABKUGECYXQM-QVHKTLOISA-N 2 1 232.371 2.633 10 0 BFAEMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396611009 387347738 /nfs/dbraw/zinc/34/77/38/387347738.db2.gz QWQYAYARFAXTTC-AJNGGQMLSA-N 2 1 238.419 2.931 10 0 BFAEMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396611010 387348093 /nfs/dbraw/zinc/34/80/93/387348093.db2.gz QWQYAYARFAXTTC-BARDWOONSA-N 2 1 238.419 2.931 10 0 BFAEMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396611011 387348505 /nfs/dbraw/zinc/34/85/05/387348505.db2.gz QWQYAYARFAXTTC-QPSCCSFWSA-N 2 1 238.419 2.931 10 0 BFAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000151450391 387841446 /nfs/dbraw/zinc/84/14/46/387841446.db2.gz DAFRETNCQUMLAF-OLZOCXBDSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000151450391 387841452 /nfs/dbraw/zinc/84/14/52/387841452.db2.gz DAFRETNCQUMLAF-OLZOCXBDSA-N 2 1 226.408 2.741 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000396665893 387941403 /nfs/dbraw/zinc/94/14/03/387941403.db2.gz AHYRBDOJRMGHRY-FZMZJTMJSA-N 2 1 236.403 2.685 10 0 BFAEMP CC1CCC(C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000345192565 388511097 /nfs/dbraw/zinc/51/10/97/388511097.db2.gz YVJHPAKLFSRKCN-UHFFFAOYSA-N 2 1 236.403 2.664 10 0 BFAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000218921714 134268960 /nfs/dbraw/zinc/26/89/60/134268960.db2.gz KUNZWRKLMHPHLI-OCCSQVGLSA-N 2 1 235.375 2.607 10 0 BFAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCC(C)CC2)C1 ZINC000227489418 134381269 /nfs/dbraw/zinc/38/12/69/134381269.db2.gz JUCRMKSZROCLIU-SHWKFHJASA-N 2 1 238.419 2.872 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000250748170 135057945 /nfs/dbraw/zinc/05/79/45/135057945.db2.gz NCMIJNPZDFPKGO-WCQYABFASA-N 2 1 238.400 2.739 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000250748170 135057947 /nfs/dbraw/zinc/05/79/47/135057947.db2.gz NCMIJNPZDFPKGO-WCQYABFASA-N 2 1 238.400 2.739 10 0 BFAEMP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000258643238 135132601 /nfs/dbraw/zinc/13/26/01/135132601.db2.gz DAOZMOTXISOOSF-HNNXBMFYSA-N 2 1 246.398 2.808 10 0 BFAEMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000258678893 135133450 /nfs/dbraw/zinc/13/34/50/135133450.db2.gz FYBGQZDDQIUBSQ-OAHLLOKOSA-N 2 1 246.398 2.863 10 0 BFAEMP CC1CCC(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261541253 135180781 /nfs/dbraw/zinc/18/07/81/135180781.db2.gz BALARCRLYAZVPC-JXQTWKCFSA-N 2 1 238.419 2.872 10 0 BFAEMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000261589299 135230531 /nfs/dbraw/zinc/23/05/31/135230531.db2.gz WGMRZXIJZAVVGZ-OAHLLOKOSA-N 2 1 246.398 2.863 10 0 BFAEMP CC(C)[NH2+]CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000037477339 167105339 /nfs/dbraw/zinc/10/53/39/167105339.db2.gz MGJVWDCVRJEUEA-KGLIPLIRSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)[NH2+]CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000037477339 167105342 /nfs/dbraw/zinc/10/53/42/167105342.db2.gz MGJVWDCVRJEUEA-KGLIPLIRSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H]2C)o1 ZINC000052375745 167118595 /nfs/dbraw/zinc/11/85/95/167118595.db2.gz XGWBZSPQYYDIDJ-LBPRGKRZSA-N 2 1 236.359 2.762 10 0 BFAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+](C)C2CC2)c1 ZINC000052445257 167118945 /nfs/dbraw/zinc/11/89/45/167118945.db2.gz AVHQJCLRDMTBCG-UHFFFAOYSA-N 2 1 232.371 2.779 10 0 BFAEMP C[C@@H]([NH3+])[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000042900601 168186312 /nfs/dbraw/zinc/18/63/12/168186312.db2.gz AKAPQSKZUQXHIH-UKRRQHHQSA-N 2 1 232.371 2.807 10 0 BFAEMP C[C@@H]([NH3+])[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000042900604 168187665 /nfs/dbraw/zinc/18/76/65/168187665.db2.gz AKAPQSKZUQXHIH-HIFRSBDPSA-N 2 1 232.371 2.807 10 0 BFAEMP C[C@H]([NH3+])[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000042900609 168187965 /nfs/dbraw/zinc/18/79/65/168187965.db2.gz AKAPQSKZUQXHIH-ZFWWWQNUSA-N 2 1 232.371 2.807 10 0 BFAEMP CC[NH2+]CC1(C[N@@H+](C)CC2CCC2)CCCC1 ZINC000061484324 170111026 /nfs/dbraw/zinc/11/10/26/170111026.db2.gz VEONRKJJECAZEX-UHFFFAOYSA-N 2 1 238.419 2.888 10 0 BFAEMP CC[NH2+]CC(CC)(CC)C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000051253134 170111048 /nfs/dbraw/zinc/11/10/48/170111048.db2.gz AICJXTCTVSKWLN-UONOGXRCSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+]C[C@@H](CC)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482221 170118944 /nfs/dbraw/zinc/11/89/44/170118944.db2.gz IQDAHEDMGIWYSN-RRFJBIMHSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546573 170118979 /nfs/dbraw/zinc/11/89/79/170118979.db2.gz QPGLKKAKBPTSPH-HZSPNIEDSA-N 2 1 226.408 2.743 10 0 BFAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000053654080 170119808 /nfs/dbraw/zinc/11/98/08/170119808.db2.gz JUCRUSFSIGGCTD-HNNXBMFYSA-N 2 1 246.398 2.817 10 0 BFAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035309 170119988 /nfs/dbraw/zinc/11/99/88/170119988.db2.gz IADXMXBYJQNSHP-KBPBESRZSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+]Cc1coc(C[N@@H+](C)CC(C)(C)C)c1 ZINC000052570140 170130303 /nfs/dbraw/zinc/13/03/03/170130303.db2.gz CSTSOHVMVIYXQR-UHFFFAOYSA-N 2 1 238.375 2.867 10 0 BFAEMP CC[NH2+]Cc1occc1C[N@@H+](C)CC(C)(C)C ZINC000052570092 170133027 /nfs/dbraw/zinc/13/30/27/170133027.db2.gz WFWLWFBGEPDKPE-UHFFFAOYSA-N 2 1 238.375 2.867 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](Cc2cccs2)C[C@@H]1C ZINC000049712683 170152051 /nfs/dbraw/zinc/15/20/51/170152051.db2.gz JXCYKXVQCCGBNY-WCQYABFASA-N 2 1 238.400 2.568 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2cccs2)C[C@@H]1C ZINC000049712683 170152055 /nfs/dbraw/zinc/15/20/55/170152055.db2.gz JXCYKXVQCCGBNY-WCQYABFASA-N 2 1 238.400 2.568 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1C ZINC000049710713 170152330 /nfs/dbraw/zinc/15/23/30/170152330.db2.gz OWIUPWHXSBUNDQ-DZGCQCFKSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+](Cc2cccs2)[C@H](C)C1 ZINC000049712698 170168200 /nfs/dbraw/zinc/16/82/00/170168200.db2.gz RFQHKEJVRFXAHG-NEPJUHHUSA-N 2 1 238.400 2.711 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2cccs2)[C@H](C)C1 ZINC000049712698 170168201 /nfs/dbraw/zinc/16/82/01/170168201.db2.gz RFQHKEJVRFXAHG-NEPJUHHUSA-N 2 1 238.400 2.711 10 0 BFAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000049709493 170168264 /nfs/dbraw/zinc/16/82/64/170168264.db2.gz IVYQQCBKNZFUIC-ZQDZILKHSA-N 2 1 238.419 2.885 10 0 BFAEMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000336742770 170892676 /nfs/dbraw/zinc/89/26/76/170892676.db2.gz SMTJSIQPJDEQQE-CYBMUJFWSA-N 2 1 224.392 2.663 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CC2CCC2)CC[C@H](C)[NH2+]1 ZINC000049665857 171008684 /nfs/dbraw/zinc/00/86/84/171008684.db2.gz HZKLYJIVTHAHJE-GXTWGEPZSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[C@@H]1CC[N@H+](C(C2CC2)C2CC2)CCC[NH2+]1 ZINC000049668064 171009297 /nfs/dbraw/zinc/00/92/97/171009297.db2.gz HUZPTPOPLDAXDH-CQSZACIVSA-N 2 1 236.403 2.639 10 0 BFAEMP CC[C@@H]1CC[N@@H+](CCC(C)C)CC[C@H](C)[NH2+]1 ZINC000049663254 171010072 /nfs/dbraw/zinc/01/00/72/171010072.db2.gz QVAMNBUWDMDWCG-UONOGXRCSA-N 2 1 226.408 2.885 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)CCC[NH2+]1 ZINC000049664727 171012489 /nfs/dbraw/zinc/01/24/89/171012489.db2.gz CLZWUMOXWDADAM-MRXNPFEDSA-N 2 1 246.398 2.959 10 0 BFAEMP CC[C@H](C)C[N@@H+](C)Cc1cc(C)c(C[NH2+]C)o1 ZINC000052454495 171275035 /nfs/dbraw/zinc/27/50/35/171275035.db2.gz XLRLMZGZZAPMOP-NSHDSACASA-N 2 1 238.375 2.785 10 0 BFAEMP CC[C@H](C)[N@@H+](CC)Cc1cc(C[NH2+]C)oc1C ZINC000052451495 171312162 /nfs/dbraw/zinc/31/21/62/171312162.db2.gz TUSCKDZEZJWDBM-NSHDSACASA-N 2 1 238.375 2.928 10 0 BFAEMP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccc(C)cc1 ZINC000032013802 171314512 /nfs/dbraw/zinc/31/45/12/171314512.db2.gz PEGCFRXDPSIXIA-ZDUSSCGKSA-N 2 1 220.360 2.554 10 0 BFAEMP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccc(C)cc1 ZINC000032013802 171314515 /nfs/dbraw/zinc/31/45/15/171314515.db2.gz PEGCFRXDPSIXIA-ZDUSSCGKSA-N 2 1 220.360 2.554 10 0 BFAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294711 412081243 /nfs/dbraw/zinc/08/12/43/412081243.db2.gz SDSXEFMNPDKVIE-ZFWWWQNUSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[C@H]([NH3+])[C@@H](c1ccc(C)cc1)n1cc[nH+]c1C ZINC000042915847 171487991 /nfs/dbraw/zinc/48/79/91/171487991.db2.gz JQBNHMSJXMQQPX-LSDHHAIUSA-N 2 1 243.354 2.827 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1cccs1)[C@@H]([NH3+])CC ZINC000043107493 172030050 /nfs/dbraw/zinc/03/00/50/172030050.db2.gz CHUVXPBOSSAIKC-GXFFZTMASA-N 2 1 249.383 2.834 10 0 BFAEMP C[N@@H+](CC1(C[NH3+])CCCCC1)C1CCCC1 ZINC000051215509 172638816 /nfs/dbraw/zinc/63/88/16/172638816.db2.gz NESOMDGOVCFEAW-UHFFFAOYSA-N 2 1 224.392 2.770 10 0 BFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC(C)(C)C)C2 ZINC000076673922 173205854 /nfs/dbraw/zinc/20/58/54/173205854.db2.gz LRJGPVVREWLJLF-YHWZYXNKSA-N 2 1 224.392 2.637 10 0 BFAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011165 173370112 /nfs/dbraw/zinc/37/01/12/173370112.db2.gz GERPPESXPQPPEZ-ZDUSSCGKSA-N 2 1 224.392 2.641 10 0 BFAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000052379064 173390607 /nfs/dbraw/zinc/39/06/07/173390607.db2.gz GVIXPXSGVPIDGL-CYBMUJFWSA-N 2 1 232.371 2.780 10 0 BFAEMP C[NH2+]Cc1oc(C[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000052381691 173399806 /nfs/dbraw/zinc/39/98/06/173399806.db2.gz COISLVIWSURCAA-LLVKDONJSA-N 2 1 236.359 2.539 10 0 BFAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000019407521 176073857 /nfs/dbraw/zinc/07/38/57/176073857.db2.gz QKPRJLBZCJJFRK-LLVKDONJSA-N 2 1 236.334 2.659 10 0 BFAEMP C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052376064 176108794 /nfs/dbraw/zinc/10/87/94/176108794.db2.gz VGZJXFAFOOSIPO-CYBMUJFWSA-N 2 1 244.382 2.923 10 0 BFAEMP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053344515 176360423 /nfs/dbraw/zinc/36/04/23/176360423.db2.gz FUWMIRKPZMVACC-ZIAGYGMSSA-N 2 1 240.435 2.990 10 0 BFAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCCCCCC1 ZINC000049707701 176370474 /nfs/dbraw/zinc/37/04/74/176370474.db2.gz BAOHBKTZUAJWCP-OLZOCXBDSA-N 2 1 224.392 2.911 10 0 BFAEMP C[C@@H]1C[C@@H]1C[N@H+](C)CC[C@H]([NH3+])c1ccccc1 ZINC000104426993 176391502 /nfs/dbraw/zinc/39/15/02/176391502.db2.gz GBUPVBDPVISAMB-YUELXQCFSA-N 2 1 232.371 2.664 10 0 BFAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[C@H]([NH3+])c1ccccc1 ZINC000104426993 176391503 /nfs/dbraw/zinc/39/15/03/176391503.db2.gz GBUPVBDPVISAMB-YUELXQCFSA-N 2 1 232.371 2.664 10 0 BFAEMP C[C@H](c1ccccc1F)[NH+]1CCC[NH2+]CCC1 ZINC000049667219 177041365 /nfs/dbraw/zinc/04/13/65/177041365.db2.gz DNSRDZRQYODGLB-GFCCVEGCSA-N 2 1 236.334 2.572 10 0 BFAEMP C[C@H]1CCCC[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952268 177075519 /nfs/dbraw/zinc/07/55/19/177075519.db2.gz OQGVWOCSXHELJI-KBPBESRZSA-N 2 1 224.392 2.783 10 0 BFAEMP C[C@H]1CCCC[C@@H]1N(C)[C@@H](C[NH3+])c1ccco1 ZINC000042606788 177081070 /nfs/dbraw/zinc/08/10/70/177081070.db2.gz QGPJSPQTDZLCDY-AVGNSLFASA-N 2 1 236.359 2.790 10 0 BFAEMP C[C@H]1CCC[N@@H+](CC2(C[NH3+])CCCCC2)C1 ZINC000049819835 177095793 /nfs/dbraw/zinc/09/57/93/177095793.db2.gz HNZCFEWMMIOGTO-ZDUSSCGKSA-N 2 1 224.392 2.628 10 0 BFAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+]2CCC[C@H](C)[C@@H]2C)C1 ZINC000050563614 177104441 /nfs/dbraw/zinc/10/44/41/177104441.db2.gz HSWOQZHUJHXFSF-GZBLMMOJSA-N 2 1 238.419 2.870 10 0 BFAEMP C[C@H]1CCC[N@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037911173 177108512 /nfs/dbraw/zinc/10/85/12/177108512.db2.gz XAOXFBNTEYRUFR-JSGCOSHPSA-N 2 1 218.344 2.561 10 0 BFAEMP C[C@@H](N)[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1C ZINC000042972172 177111625 /nfs/dbraw/zinc/11/16/25/177111625.db2.gz OZRUTTVNRKNQEU-MISXGVKJSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](N)[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1C ZINC000042972172 177111627 /nfs/dbraw/zinc/11/16/27/177111627.db2.gz OZRUTTVNRKNQEU-MISXGVKJSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@H]1C[N@H+](C2CCCCCCC2)CC[C@@H]1[NH3+] ZINC000049707690 177242160 /nfs/dbraw/zinc/24/21/60/177242160.db2.gz MKRFQBCRVWGDGO-JSGCOSHPSA-N 2 1 224.392 2.768 10 0 BFAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CC2CCCCC2)C1 ZINC000049666081 177285303 /nfs/dbraw/zinc/28/53/03/177285303.db2.gz NXKUPWCJDDORLF-OKILXGFUSA-N 2 1 238.419 2.744 10 0 BFAEMP C[C@@H]1CCCC[C@H]1[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665311 177285402 /nfs/dbraw/zinc/28/54/02/177285402.db2.gz PDMQRKNUFNVTAE-LXTVHRRPSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@@H]1[C@H]([NH3+])[C@@H](C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592906 177359353 /nfs/dbraw/zinc/35/93/53/177359353.db2.gz VLNSZQNRDVTFLY-RMRHIDDWSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1[C@H]([NH3+])[C@@H](C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592906 177359355 /nfs/dbraw/zinc/35/93/55/177359355.db2.gz VLNSZQNRDVTFLY-RMRHIDDWSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049713961 177364775 /nfs/dbraw/zinc/36/47/75/177364775.db2.gz GFXXCJOZNXWTGY-COPLHBTASA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049713961 177364777 /nfs/dbraw/zinc/36/47/77/177364777.db2.gz GFXXCJOZNXWTGY-COPLHBTASA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@H]1C ZINC000396699210 323654735 /nfs/dbraw/zinc/65/47/35/323654735.db2.gz KNBLUGDNCQOPRX-XHJNMGKDSA-N 2 1 224.392 2.541 10 0 BFAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000396710665 488000065 /nfs/dbraw/zinc/00/00/65/488000065.db2.gz PDLSIONCPZHBBX-YNEHKIRRSA-N 2 1 224.392 2.685 10 0 BFAEMP CC1CCC(C[NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000232814818 491102342 /nfs/dbraw/zinc/10/23/42/491102342.db2.gz CLISIGCBWZKAOG-JXQTWKCFSA-N 2 1 224.392 2.544 10 0 BFAEMP CCCC[N@H+]1CC[C@H]([NH2+]CC(C)C)C[C@H]1C ZINC000242463852 520595429 /nfs/dbraw/zinc/59/54/29/520595429.db2.gz DONJKILCTURYAC-KGLIPLIRSA-N 2 1 226.408 2.885 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757134925 582513003 /nfs/dbraw/zinc/51/30/03/582513003.db2.gz XKCXQDILYZKMNP-IHRRRGAJSA-N 2 1 224.392 2.782 10 0 BFAEMP CC[NH+](CC)[C@@H]1CC[N@@H+](CC(C)C)C[C@H]1C ZINC000242750547 520846955 /nfs/dbraw/zinc/84/69/55/520846955.db2.gz ZSEDGOMMGFNNGK-ZIAGYGMSSA-N 2 1 226.408 2.695 10 0 BFAEMP C[C@H]1CCC[N@@H+](CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000020071921 524092466 /nfs/dbraw/zinc/09/24/66/524092466.db2.gz QLTHMEKETMHHRP-DZGCQCFKSA-N 2 1 232.371 2.808 10 0 BFAEMP CC(C)C[N@H+]1CC[C@@H]([NH+]2CCCCC2)[C@@H](C)C1 ZINC000226859245 535134427 /nfs/dbraw/zinc/13/44/27/535134427.db2.gz SHIIZRSXHKBODQ-LSDHHAIUSA-N 2 1 238.419 2.839 10 0 BFAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757130902 582505313 /nfs/dbraw/zinc/50/53/13/582505313.db2.gz OLRCPBYNTHWDAS-HIFRSBDPSA-N 2 1 236.403 2.591 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757131000 582505499 /nfs/dbraw/zinc/50/54/99/582505499.db2.gz OXAPGDDMHKQIDJ-GXTWGEPZSA-N 2 1 224.392 2.782 10 0 BFAEMP C[C@H](C1CCC1)[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757134982 582513860 /nfs/dbraw/zinc/51/38/60/582513860.db2.gz XOKBWTOXJLXZPB-NFAWXSAZSA-N 2 1 236.403 2.782 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757135123 582514234 /nfs/dbraw/zinc/51/42/34/582514234.db2.gz ZGVKGVINJVNHKC-GXTWGEPZSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000675052519 583301375 /nfs/dbraw/zinc/30/13/75/583301375.db2.gz ATTVRBYWIDUCRN-STQMWFEESA-N 2 1 238.762 2.824 10 0 BFAEMP CC[N@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000675052519 583301378 /nfs/dbraw/zinc/30/13/78/583301378.db2.gz ATTVRBYWIDUCRN-STQMWFEESA-N 2 1 238.762 2.824 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757135275 586426934 /nfs/dbraw/zinc/42/69/34/586426934.db2.gz ZGVKGVINJVNHKC-OCCSQVGLSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[NH+](CC)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000045689992 640638730 /nfs/dbraw/zinc/63/87/30/640638730.db2.gz YEKBDMUHFRCMPC-CQSZACIVSA-N 2 1 234.387 2.549 10 0 BFAEMP CN(CCCCCC[NH3+])c1cc[nH+]cc1Cl ZINC000710756998 712256181 /nfs/dbraw/zinc/25/61/81/712256181.db2.gz AZUFJJMCXVWCBE-UHFFFAOYSA-N 2 1 241.766 2.690 10 0 BFAEMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(C)o2)CC1 ZINC000714759633 712497626 /nfs/dbraw/zinc/49/76/26/712497626.db2.gz VXGVUABIWQVQBK-GFCCVEGCSA-N 2 1 236.359 2.852 10 0 BFAEMP C[N@@H+]1CC[C@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000685953122 538897407 /nfs/dbraw/zinc/89/74/07/538897407.db2.gz GFWBJPCIVZVTBS-LXVYMNJGSA-N 2 1 224.392 2.624 10 0 BFAEMP C[N@H+]1CC[C@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000685953122 538897408 /nfs/dbraw/zinc/89/74/08/538897408.db2.gz GFWBJPCIVZVTBS-LXVYMNJGSA-N 2 1 224.392 2.624 10 0 BFAEMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)C(C)(C)C ZINC000336742709 398144280 /nfs/dbraw/zinc/14/42/80/398144280.db2.gz SGGCVDAXDJEVRD-GFCCVEGCSA-N 2 1 223.364 2.606 10 0 BFAEMP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)ccc1F ZINC000050559341 178008807 /nfs/dbraw/zinc/00/88/07/178008807.db2.gz DGBVYAUAWDKCCR-AGUYFDCRSA-N 2 1 248.345 2.588 10 0 BFAEMP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000093109957 398176069 /nfs/dbraw/zinc/17/60/69/398176069.db2.gz JQKAVKADJMKEHL-ZIAGYGMSSA-N 2 1 226.408 2.743 10 0 BFAEMP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000093109957 398176072 /nfs/dbraw/zinc/17/60/72/398176072.db2.gz JQKAVKADJMKEHL-ZIAGYGMSSA-N 2 1 226.408 2.743 10 0 BFAEMP Cc1cc(N[C@H]2CC[N@H+](C)C2)c2ccccc2[nH+]1 ZINC000042548122 178191139 /nfs/dbraw/zinc/19/11/39/178191139.db2.gz PBUMQGRHOVSPRY-LBPRGKRZSA-N 2 1 241.338 2.659 10 0 BFAEMP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381579410 398264732 /nfs/dbraw/zinc/26/47/32/398264732.db2.gz BJUIXENQMJYMRL-NEPJUHHUSA-N 2 1 246.345 2.625 10 0 BFAEMP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381579410 398264735 /nfs/dbraw/zinc/26/47/35/398264735.db2.gz BJUIXENQMJYMRL-NEPJUHHUSA-N 2 1 246.345 2.625 10 0 BFAEMP CCC(CC)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915986 168376068 /nfs/dbraw/zinc/37/60/68/168376068.db2.gz MJFDYYOKWORDGE-JSGCOSHPSA-N 2 1 224.392 2.639 10 0 BFAEMP CCCC[C@H](CC)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000390098462 259380365 /nfs/dbraw/zinc/38/03/65/259380365.db2.gz NWONOJOARKTSJE-HZSPNIEDSA-N 2 1 226.408 2.872 10 0 BFAEMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000381378454 345750117 /nfs/dbraw/zinc/75/01/17/345750117.db2.gz KMDZLGGDXYVZCX-CHWSQXEVSA-N 2 1 226.408 2.743 10 0 BFAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC2CC2)c1 ZINC000042966760 179188126 /nfs/dbraw/zinc/18/81/26/179188126.db2.gz CFVYJIZVWGUNQF-SWLSCSKDSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000042966760 179188129 /nfs/dbraw/zinc/18/81/29/179188129.db2.gz CFVYJIZVWGUNQF-SWLSCSKDSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1cccc([C@@H](C[NH3+])n2cc[nH+]c2C(C)C)c1 ZINC000042967797 179184697 /nfs/dbraw/zinc/18/46/97/179184697.db2.gz VEKTTXVZGGVESM-CQSZACIVSA-N 2 1 243.354 2.863 10 0 BFAEMP C[N@H+](Cc1ccccc1)[C@H]1CCCCC[C@H]1[NH3+] ZINC000250243685 362797477 /nfs/dbraw/zinc/79/74/77/362797477.db2.gz SANRUCVRFWGRNN-CABCVRRESA-N 2 1 232.371 2.778 10 0 BFAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCCCC[C@H]1[NH3+] ZINC000250243685 362797481 /nfs/dbraw/zinc/79/74/81/362797481.db2.gz SANRUCVRFWGRNN-CABCVRRESA-N 2 1 232.371 2.778 10 0 BFAEMP [NH3+]CC1(CCNc2[nH+]ccc3ccccc32)CC1 ZINC000395875156 362801104 /nfs/dbraw/zinc/80/11/04/362801104.db2.gz MAGBKKNVUFMZFE-UHFFFAOYSA-N 2 1 241.338 2.776 10 0 BFAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000042965998 179203527 /nfs/dbraw/zinc/20/35/27/179203527.db2.gz NVNUUOACZTYBKY-HIFRSBDPSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC(C)C)c1 ZINC000042965998 179203528 /nfs/dbraw/zinc/20/35/28/179203528.db2.gz NVNUUOACZTYBKY-HIFRSBDPSA-N 2 1 234.387 2.971 10 0 BFAEMP Cc1ccccc1C[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049666745 179273318 /nfs/dbraw/zinc/27/33/18/179273318.db2.gz SEQYFZJMHWAFCQ-AWEZNQCLSA-N 2 1 232.371 2.569 10 0 BFAEMP Cc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357298 179273332 /nfs/dbraw/zinc/27/33/32/179273332.db2.gz SIKCAPYZGMRZAI-JKSUJKDBSA-N 2 1 244.382 2.711 10 0 BFAEMP Cc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357298 179273335 /nfs/dbraw/zinc/27/33/35/179273335.db2.gz SIKCAPYZGMRZAI-JKSUJKDBSA-N 2 1 244.382 2.711 10 0 BFAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)CC1CC1 ZINC000043035893 179328253 /nfs/dbraw/zinc/32/82/53/179328253.db2.gz AYVDYYIARBMOJD-IUODEOHRSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CC1 ZINC000043035893 179328255 /nfs/dbraw/zinc/32/82/55/179328255.db2.gz AYVDYYIARBMOJD-IUODEOHRSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)CC1CC1 ZINC000043035903 179347005 /nfs/dbraw/zinc/34/70/05/179347005.db2.gz AYVDYYIARBMOJD-WFASDCNBSA-N 2 1 232.371 2.725 10 0 BFAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)CC1CC1 ZINC000043035903 179347008 /nfs/dbraw/zinc/34/70/08/179347008.db2.gz AYVDYYIARBMOJD-WFASDCNBSA-N 2 1 232.371 2.725 10 0 BFAEMP CCC[N@H+](C)C[C@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669384921 538018139 /nfs/dbraw/zinc/01/81/39/538018139.db2.gz NQPYNOZUWAZHSH-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP CCC[N@@H+](C)C[C@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669384921 538018144 /nfs/dbraw/zinc/01/81/44/538018144.db2.gz NQPYNOZUWAZHSH-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000250212197 349167678 /nfs/dbraw/zinc/16/76/78/349167678.db2.gz VMWSQEZYGAZBKQ-ZIAGYGMSSA-N 2 1 232.371 2.679 10 0 BFAEMP Cc1[nH+]ccn1[C@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043016631 180272523 /nfs/dbraw/zinc/27/25/23/180272523.db2.gz WETSRCVPYXXPIM-ZANVPECISA-N 2 1 249.745 2.782 10 0 BFAEMP Cc1[nH+]ccn1[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000023067529 180271492 /nfs/dbraw/zinc/27/14/92/180271492.db2.gz TTWLBWQANZBFOF-CABCVRRESA-N 2 1 241.338 2.769 10 0 BFAEMP Cc1[nH+]cn([C@H](C[NH3+])c2ccccc2Cl)c1C ZINC000051925910 180288685 /nfs/dbraw/zinc/28/86/85/180288685.db2.gz SFUPIKTVFWAKQY-CYBMUJFWSA-N 2 1 249.745 2.701 10 0 BFAEMP Cc1[nH+]cn([C@@H]2CCCCCC[C@@H]2[NH3+])c1C ZINC000051926531 180289468 /nfs/dbraw/zinc/28/94/68/180289468.db2.gz GLYOYEHSTPIQNH-QWHCGFSZSA-N 2 1 221.348 2.723 10 0 BFAEMP C[N@@H+](Cc1ccsc1C[NH3+])Cc1ccccc1 ZINC000306681520 350837969 /nfs/dbraw/zinc/83/79/69/350837969.db2.gz OEFVLCIJGVXKCY-UHFFFAOYSA-N 2 1 246.379 2.839 10 0 BFAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH+](C)C ZINC000248107734 350855028 /nfs/dbraw/zinc/85/50/28/350855028.db2.gz JCSYAXRFKNHZDK-FOLVSLTJSA-N 2 1 246.398 2.705 10 0 BFAEMP CC[C@H](CC[NH3+])[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000036128688 188112776 /nfs/dbraw/zinc/11/27/76/188112776.db2.gz QJUWYQWVVMNREV-HUUCEWRRSA-N 2 1 232.371 2.951 10 0 BFAEMP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000049708899 188125491 /nfs/dbraw/zinc/12/54/91/188125491.db2.gz UUHDMDOSVXPYJG-DZGCQCFKSA-N 2 1 232.371 2.567 10 0 BFAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000049708899 188125493 /nfs/dbraw/zinc/12/54/93/188125493.db2.gz UUHDMDOSVXPYJG-DZGCQCFKSA-N 2 1 232.371 2.567 10 0 BFAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)CCC(C)C ZINC000052545960 188126500 /nfs/dbraw/zinc/12/65/00/188126500.db2.gz DAPANZNHCVAKCF-UHFFFAOYSA-N 2 1 234.387 2.884 10 0 BFAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000261557718 535308665 /nfs/dbraw/zinc/30/86/65/535308665.db2.gz RVRXYHUYTIVMSJ-VXGBXAGGSA-N 2 1 248.361 2.775 10 0 BFAEMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000218921797 134268880 /nfs/dbraw/zinc/26/88/80/134268880.db2.gz KUNZWRKLMHPHLI-GXTWGEPZSA-N 2 1 235.375 2.607 10 0 BFAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000090773355 360086501 /nfs/dbraw/zinc/08/65/01/360086501.db2.gz YGOZZBHOYPMELV-DZGCQCFKSA-N 2 1 238.419 2.885 10 0 BFAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000090773355 360086506 /nfs/dbraw/zinc/08/65/06/360086506.db2.gz YGOZZBHOYPMELV-DZGCQCFKSA-N 2 1 238.419 2.885 10 0 BFAEMP CC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000306603863 360532477 /nfs/dbraw/zinc/53/24/77/360532477.db2.gz XXDDAPSXPJJOQQ-WFASDCNBSA-N 2 1 245.370 2.626 10 0 BFAEMP [NH3+]CC1([N@@H+]2CCc3ccccc3C2)CCCCC1 ZINC000019473736 181360697 /nfs/dbraw/zinc/36/06/97/181360697.db2.gz SGTGEEXRPRWRMP-UHFFFAOYSA-N 2 1 244.382 2.706 10 0 BFAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000104319677 181385761 /nfs/dbraw/zinc/38/57/61/181385761.db2.gz GBSYQIHDGFHEPL-CQSZACIVSA-N 2 1 236.334 2.529 10 0 BFAEMP [NH3+]C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000032625253 368374464 /nfs/dbraw/zinc/37/44/64/368374464.db2.gz AFHIMDPHXZNRAO-HZPDHXFCSA-N 2 1 244.382 2.638 10 0 BFAEMP C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C[NH3+] ZINC000631836981 372625098 /nfs/dbraw/zinc/62/50/98/372625098.db2.gz KXFDQYXSAQEBNU-WBMJQRKESA-N 2 1 244.382 2.591 10 0 BFAEMP CCC[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052444539 169080605 /nfs/dbraw/zinc/08/06/05/169080605.db2.gz LCLYSCYPPDMCLR-UHFFFAOYSA-N 2 1 238.375 2.867 10 0 BFAEMP CCC[N@@H+](CC)[C@@H](CN)c1ccc(CC)cc1 ZINC000037094657 169131647 /nfs/dbraw/zinc/13/16/47/169131647.db2.gz MGPZXBQJCSPYJF-HNNXBMFYSA-N 2 1 234.387 2.981 10 0 BFAEMP CCC[N@H+](Cc1ccccc1C[NH3+])CC1CC1 ZINC000021953060 169177628 /nfs/dbraw/zinc/17/76/28/169177628.db2.gz QEBRXPVAGHKCHF-UHFFFAOYSA-N 2 1 232.371 2.767 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000073654102 169207542 /nfs/dbraw/zinc/20/75/42/169207542.db2.gz OIENUARUPLILPL-GDBMZVCRSA-N 2 1 246.398 2.897 10 0 BFAEMP CCC[N@H+]1CC[C@@H]([NH+]2CCCCC2)[C@H](C)C1 ZINC000073654024 169207671 /nfs/dbraw/zinc/20/76/71/169207671.db2.gz XOMLVCHCRRGORR-ZIAGYGMSSA-N 2 1 224.392 2.593 10 0 BFAEMP CCC[NH2+]CC[C@@H](C)[N@H+](CC)Cc1ccncc1 ZINC000052515110 169260353 /nfs/dbraw/zinc/26/03/53/169260353.db2.gz WFHYWGFJQBHNJU-CQSZACIVSA-N 2 1 249.402 2.682 10 0 BFAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](CC)Cc1ccncc1 ZINC000052515110 169260354 /nfs/dbraw/zinc/26/03/54/169260354.db2.gz WFHYWGFJQBHNJU-CQSZACIVSA-N 2 1 249.402 2.682 10 0 BFAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000053012505 169262626 /nfs/dbraw/zinc/26/26/26/169262626.db2.gz XZKHUBRRZKDNTC-INIZCTEOSA-N 2 1 246.398 2.551 10 0 BFAEMP CCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(C)c1 ZINC000050562446 169267028 /nfs/dbraw/zinc/26/70/28/169267028.db2.gz PWCLBCIGGAZOAQ-UHFFFAOYSA-N 2 1 243.354 2.989 10 0 BFAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000061484482 169281728 /nfs/dbraw/zinc/28/17/28/169281728.db2.gz PXKCOKFCROHHQQ-HUUCEWRRSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+]1CCC[C@H](C)C1 ZINC000053861887 169282480 /nfs/dbraw/zinc/28/24/80/169282480.db2.gz LFDWXHQLXWXSSP-SOUVJXGZSA-N 2 1 238.419 2.887 10 0 BFAEMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000036790014 169365085 /nfs/dbraw/zinc/36/50/85/169365085.db2.gz BLLPOLNUOBADSN-LLVKDONJSA-N 2 1 238.350 2.905 10 0 BFAEMP CCC[C@@H](C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038018907 169358718 /nfs/dbraw/zinc/35/87/18/169358718.db2.gz CARBOOORNNYNDD-FFHGMXDLSA-N 2 1 238.419 2.885 10 0 BFAEMP C[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000222743019 134334258 /nfs/dbraw/zinc/33/42/58/134334258.db2.gz USEZABLOCATCPA-WCFLWFBJSA-N 2 1 238.400 2.881 10 0 BFAEMP C[C@@H]1C[C@H]([NH3+])[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592865 384002415 /nfs/dbraw/zinc/00/24/15/384002415.db2.gz UKWBVZXKIFQVBE-CXTNEJHOSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1[C@@H](C)[C@H]([NH3+])[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593256 384002559 /nfs/dbraw/zinc/00/25/59/384002559.db2.gz XHQDHKBQLIGGBO-FAHYXWLWSA-N 2 1 246.398 2.879 10 0 BFAEMP C[C@@H]1[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1[NH3+] ZINC000068593258 384002787 /nfs/dbraw/zinc/00/27/87/384002787.db2.gz XHQDHKBQLIGGBO-ADVQIIOHSA-N 2 1 246.398 2.879 10 0 BFAEMP CCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000309459153 384228423 /nfs/dbraw/zinc/22/84/23/384228423.db2.gz NKBUEVKAGLFINY-TZMCWYRMSA-N 2 1 224.392 2.639 10 0 BFAEMP [NH3+]C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000095077544 384353295 /nfs/dbraw/zinc/35/32/95/384353295.db2.gz HCOHDXPCJRZNOY-JKSUJKDBSA-N 2 1 244.382 2.638 10 0 BFAEMP CC(C)CCC[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000309334577 385534739 /nfs/dbraw/zinc/53/47/39/385534739.db2.gz AHQMHMLWGAFRKV-UONOGXRCSA-N 2 1 226.408 2.741 10 0 BFAEMP CC(C)CCC[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000309334577 385534742 /nfs/dbraw/zinc/53/47/42/385534742.db2.gz AHQMHMLWGAFRKV-UONOGXRCSA-N 2 1 226.408 2.741 10 0 BFAEMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000309561363 385692021 /nfs/dbraw/zinc/69/20/21/385692021.db2.gz LEAPASKXVNDMCK-AVGNSLFASA-N 2 1 226.408 2.883 10 0 BFAEMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000309561363 385692026 /nfs/dbraw/zinc/69/20/26/385692026.db2.gz LEAPASKXVNDMCK-AVGNSLFASA-N 2 1 226.408 2.883 10 0 BFAEMP C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414958763 385863797 /nfs/dbraw/zinc/86/37/97/385863797.db2.gz SHWGXAFJMQCFQF-BZPMIXESSA-N 2 1 224.392 2.685 10 0 BFAEMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396600262 386785221 /nfs/dbraw/zinc/78/52/21/386785221.db2.gz ANXJVLGRWGYFFA-LZWOXQAQSA-N 2 1 246.398 2.656 10 0 BFAEMP CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396610130 387133543 /nfs/dbraw/zinc/13/35/43/387133543.db2.gz QOCSXSDNYOOJFC-IHRRRGAJSA-N 2 1 226.408 2.931 10 0 BFAEMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396611012 387348170 /nfs/dbraw/zinc/34/81/70/387348170.db2.gz QWQYAYARFAXTTC-XQLPTFJDSA-N 2 1 238.419 2.931 10 0 BFAEMP C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000575544934 387628626 /nfs/dbraw/zinc/62/86/26/387628626.db2.gz COWQYMXBOGPMMN-HNNXBMFYSA-N 2 1 232.371 2.651 10 0 BFAEMP C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000575544934 387628628 /nfs/dbraw/zinc/62/86/28/387628628.db2.gz COWQYMXBOGPMMN-HNNXBMFYSA-N 2 1 232.371 2.651 10 0 BFAEMP CC[C@@H](C)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000120552782 387573236 /nfs/dbraw/zinc/57/32/36/387573236.db2.gz KBBGWZVRTSBDEB-CYBMUJFWSA-N 2 1 249.402 2.721 10 0 BFAEMP CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000643525366 387748862 /nfs/dbraw/zinc/74/88/62/387748862.db2.gz ACYCWFABRGKSNM-SRVKXCTJSA-N 2 1 212.381 2.541 10 0 BFAEMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Cl)s1 ZINC000422811698 387712553 /nfs/dbraw/zinc/71/25/53/387712553.db2.gz VFKLBEKRKUMMJP-HTQZYQBOSA-N 2 1 244.791 2.660 10 0 BFAEMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396654740 387933449 /nfs/dbraw/zinc/93/34/49/387933449.db2.gz FMKAJRNFJPIYRN-YIYPIFLZSA-N 2 1 224.392 2.685 10 0 BFAEMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccco1 ZINC000245642963 387970246 /nfs/dbraw/zinc/97/02/46/387970246.db2.gz SPQGVUIXAAMLHJ-KBPBESRZSA-N 2 1 248.370 2.901 10 0 BFAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccco1 ZINC000245642963 387970249 /nfs/dbraw/zinc/97/02/49/387970249.db2.gz SPQGVUIXAAMLHJ-KBPBESRZSA-N 2 1 248.370 2.901 10 0 BFAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000245642963 387970251 /nfs/dbraw/zinc/97/02/51/387970251.db2.gz SPQGVUIXAAMLHJ-KBPBESRZSA-N 2 1 248.370 2.901 10 0 BFAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000245642963 387970253 /nfs/dbraw/zinc/97/02/53/387970253.db2.gz SPQGVUIXAAMLHJ-KBPBESRZSA-N 2 1 248.370 2.901 10 0 BFAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[C@H]1C ZINC000322221615 388395110 /nfs/dbraw/zinc/39/51/10/388395110.db2.gz XGNGFDQVMVHPKV-KDWLQQCTSA-N 2 1 236.403 2.636 10 0 BFAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1C ZINC000322221615 388395111 /nfs/dbraw/zinc/39/51/11/388395111.db2.gz XGNGFDQVMVHPKV-KDWLQQCTSA-N 2 1 236.403 2.636 10 0 BFAEMP C[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000310947184 388490770 /nfs/dbraw/zinc/49/07/70/388490770.db2.gz XYLVGIVJXJOONV-UHOFOFEASA-N 2 1 244.382 2.591 10 0 BFAEMP CCC[NH2+]C[C@H]1CCCN(c2[nH+]cccc2C)C1 ZINC000053701266 132363154 /nfs/dbraw/zinc/36/31/54/132363154.db2.gz PDMSVJLMJOPNAH-CQSZACIVSA-N 2 1 247.386 2.606 10 0 BFAEMP CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH+](CC)CC)C1 ZINC000251611485 135072865 /nfs/dbraw/zinc/07/28/65/135072865.db2.gz LAHAWPGMGLQWNY-MGPQQGTHSA-N 2 1 226.408 2.885 10 0 BFAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693660 135074985 /nfs/dbraw/zinc/07/49/85/135074985.db2.gz HIGOYBITTZSPDV-APIJFGDWSA-N 2 1 238.419 2.872 10 0 BFAEMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000258919317 135135166 /nfs/dbraw/zinc/13/51/66/135135166.db2.gz WLBXKQJPWUMABT-AWEZNQCLSA-N 2 1 232.371 2.554 10 0 BFAEMP C[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C[C@@H]1C[NH3+] ZINC000163907786 135208960 /nfs/dbraw/zinc/20/89/60/135208960.db2.gz JIFRTDVGPGMUCS-WKIIYXSPSA-N 2 1 244.382 2.617 10 0 BFAEMP CC1(C)C[N@@H+](CCC2CCCC2)CC[C@@H]1[NH3+] ZINC000261583822 135225341 /nfs/dbraw/zinc/22/53/41/135225341.db2.gz PGLFEYXOJUKWLY-ZDUSSCGKSA-N 2 1 224.392 2.626 10 0 BFAEMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261590068 135230782 /nfs/dbraw/zinc/23/07/82/135230782.db2.gz WSFVWVBPUDRQMZ-OAHLLOKOSA-N 2 1 246.398 2.863 10 0 BFAEMP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000080480401 135375477 /nfs/dbraw/zinc/37/54/77/135375477.db2.gz GCXUWECXSVUOCB-HZSPNIEDSA-N 2 1 236.403 2.639 10 0 BFAEMP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000052479570 167004981 /nfs/dbraw/zinc/00/49/81/167004981.db2.gz HMCHRYTWQHMTEP-CQSZACIVSA-N 2 1 249.402 2.538 10 0 BFAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000052479570 167004983 /nfs/dbraw/zinc/00/49/83/167004983.db2.gz HMCHRYTWQHMTEP-CQSZACIVSA-N 2 1 249.402 2.538 10 0 BFAEMP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000052478933 167005604 /nfs/dbraw/zinc/00/56/04/167005604.db2.gz VOVYLYQDFRXOOW-CQSZACIVSA-N 2 1 249.402 2.538 10 0 BFAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000052478933 167005607 /nfs/dbraw/zinc/00/56/07/167005607.db2.gz VOVYLYQDFRXOOW-CQSZACIVSA-N 2 1 249.402 2.538 10 0 BFAEMP CC(C)C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000053650130 167006903 /nfs/dbraw/zinc/00/69/03/167006903.db2.gz ISYKVQFHEDNAKL-HNNXBMFYSA-N 2 1 238.419 2.887 10 0 BFAEMP CC(C)C[NH2+]C[C@@](C)(C[NH+](C)C)c1ccccc1 ZINC000051214434 167007122 /nfs/dbraw/zinc/00/71/22/167007122.db2.gz LAEKHGZGZJHRHE-INIZCTEOSA-N 2 1 248.414 2.752 10 0 BFAEMP CC(C)[NH2+]CCCC[N@H+]1CCc2ccccc2C1 ZINC000037634909 167103033 /nfs/dbraw/zinc/10/30/33/167103033.db2.gz JNOPUPKUPPDJQY-UHFFFAOYSA-N 2 1 246.398 2.823 10 0 BFAEMP CC(C)[NH2+]CC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095088476 167109036 /nfs/dbraw/zinc/10/90/36/167109036.db2.gz SLGMAWQXTSQGFO-INIZCTEOSA-N 2 1 246.398 2.897 10 0 BFAEMP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000053649052 167112633 /nfs/dbraw/zinc/11/26/33/167112633.db2.gz ZSXDFRBXMOTWMS-AWEZNQCLSA-N 2 1 224.392 2.639 10 0 BFAEMP CC1(C[N@@H+](Cc2ccco2)C2CC2)CC[NH2+]CC1 ZINC000062841874 168023355 /nfs/dbraw/zinc/02/33/55/168023355.db2.gz XSDHKKXBIFVHPY-UHFFFAOYSA-N 2 1 248.370 2.634 10 0 BFAEMP CC[NH2+]C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000049256447 170108797 /nfs/dbraw/zinc/10/87/97/170108797.db2.gz RLFIADORWOKUQB-UHFFFAOYSA-N 2 1 246.398 2.877 10 0 BFAEMP CC[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000052346067 170117272 /nfs/dbraw/zinc/11/72/72/170117272.db2.gz BQCJTCFWWZKYKW-AWEZNQCLSA-N 2 1 234.387 2.815 10 0 BFAEMP CC[NH2+]C[C@@](C)(C[N@@H+](C)CC)c1ccccc1 ZINC000051214984 170120737 /nfs/dbraw/zinc/12/07/37/170120737.db2.gz YALSTTLNDSPFOF-HNNXBMFYSA-N 2 1 234.387 2.506 10 0 BFAEMP CC[NH2+]C[C@H](C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546574 170122093 /nfs/dbraw/zinc/12/20/93/170122093.db2.gz QPGLKKAKBPTSPH-MELADBBJSA-N 2 1 226.408 2.743 10 0 BFAEMP CC[NH2+]Cc1ccoc1C[N@H+]1CCCC[C@@H]1C ZINC000052378642 170129492 /nfs/dbraw/zinc/12/94/92/170129492.db2.gz CPXVXQWBVJZITC-LBPRGKRZSA-N 2 1 236.359 2.764 10 0 BFAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860431 170150497 /nfs/dbraw/zinc/15/04/97/170150497.db2.gz XUIBGGRSSRYAHN-LXTVHRRPSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+](Cc2cccs2)[C@H](C)C1 ZINC000049712697 170151525 /nfs/dbraw/zinc/15/15/25/170151525.db2.gz RFQHKEJVRFXAHG-VXGBXAGGSA-N 2 1 238.400 2.711 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2cccs2)[C@H](C)C1 ZINC000049712697 170151528 /nfs/dbraw/zinc/15/15/28/170151528.db2.gz RFQHKEJVRFXAHG-VXGBXAGGSA-N 2 1 238.400 2.711 10 0 BFAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860436 170151754 /nfs/dbraw/zinc/15/17/54/170151754.db2.gz XUIBGGRSSRYAHN-LJISPDSOSA-N 2 1 238.419 2.743 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000049712785 170153217 /nfs/dbraw/zinc/15/32/17/170153217.db2.gz MRNMYZVFSZHMTF-VNHYZAJKSA-N 2 1 247.386 2.605 10 0 BFAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000049712785 170153219 /nfs/dbraw/zinc/15/32/19/170153219.db2.gz MRNMYZVFSZHMTF-VNHYZAJKSA-N 2 1 247.386 2.605 10 0 BFAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)C1CC1 ZINC000054554862 170153659 /nfs/dbraw/zinc/15/36/59/170153659.db2.gz DBAYXYNLSWSJBL-CFVMTHIKSA-N 2 1 238.419 2.883 10 0 BFAEMP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)C1CC1 ZINC000054554862 170153662 /nfs/dbraw/zinc/15/36/62/170153662.db2.gz DBAYXYNLSWSJBL-CFVMTHIKSA-N 2 1 238.419 2.883 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1C ZINC000049710714 170166509 /nfs/dbraw/zinc/16/65/09/170166509.db2.gz OWIUPWHXSBUNDQ-ZFWWWQNUSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCC[C@@H](CC)C1 ZINC000053867455 170167149 /nfs/dbraw/zinc/16/71/49/170167149.db2.gz ZSFVWDNLXXHLQY-ILXRZTDVSA-N 2 1 238.419 2.887 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)[C@H](C)C1 ZINC000049708937 170167562 /nfs/dbraw/zinc/16/75/62/170167562.db2.gz DHYAABRHHPHLLF-ZBFHGGJFSA-N 2 1 246.398 2.692 10 0 BFAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2C)[C@H](C)C1 ZINC000049712990 170168027 /nfs/dbraw/zinc/16/80/27/170168027.db2.gz JXPROWQHAZTSRY-ZBFHGGJFSA-N 2 1 246.398 2.957 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2ccccc2C)CCC[NH2+]1 ZINC000049666740 171011894 /nfs/dbraw/zinc/01/18/94/171011894.db2.gz INCBBVAVJAJVNJ-MRXNPFEDSA-N 2 1 246.398 2.959 10 0 BFAEMP CC[C@@H]1CC[N@H+](Cc2ccccc2C)CC[NH2+]1 ZINC000049662199 171012393 /nfs/dbraw/zinc/01/23/93/171012393.db2.gz HATHFWIQSBVFOP-OAHLLOKOSA-N 2 1 232.371 2.569 10 0 BFAEMP CC[C@@H]1CC[N@@H+](Cc2ccccc2C)CC[NH2+]1 ZINC000049662199 171012398 /nfs/dbraw/zinc/01/23/98/171012398.db2.gz HATHFWIQSBVFOP-OAHLLOKOSA-N 2 1 232.371 2.569 10 0 BFAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)CCC[NH2+]1 ZINC000049666663 171014639 /nfs/dbraw/zinc/01/46/39/171014639.db2.gz KHQYHKXSYADRMP-UONOGXRCSA-N 2 1 247.386 2.607 10 0 BFAEMP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)CCC[NH2+]1 ZINC000049666663 171014642 /nfs/dbraw/zinc/01/46/42/171014642.db2.gz KHQYHKXSYADRMP-UONOGXRCSA-N 2 1 247.386 2.607 10 0 BFAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)[C@@H](C)C2CC2)C1 ZINC000036783143 171056513 /nfs/dbraw/zinc/05/65/13/171056513.db2.gz KHBZVZKWYHIEMK-CTHBEMJXSA-N 2 1 238.419 2.870 10 0 BFAEMP CC[C@@](C)(C[NH2+]C)C[N@H+](C)Cc1ccc(C)o1 ZINC000051216453 171166788 /nfs/dbraw/zinc/16/67/88/171166788.db2.gz AUNFHYHAUOWFLG-AWEZNQCLSA-N 2 1 238.375 2.656 10 0 BFAEMP CC[C@@](C)(C[NH2+]C)C[N@@H+](C)Cc1ccc(C)o1 ZINC000051216453 171166792 /nfs/dbraw/zinc/16/67/92/171166792.db2.gz AUNFHYHAUOWFLG-AWEZNQCLSA-N 2 1 238.375 2.656 10 0 BFAEMP CC[C@@](C)(C[NH2+]CC(C)C)C[N@@H+](C)CC1CC1 ZINC000051249795 171166992 /nfs/dbraw/zinc/16/69/92/171166992.db2.gz XCWGIXVHZUHXHG-HNNXBMFYSA-N 2 1 240.435 2.990 10 0 BFAEMP CC[C@H](C)[N@H+](C)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000051214675 171307826 /nfs/dbraw/zinc/30/78/26/171307826.db2.gz GJVOWKJRVFRMMA-DZGCQCFKSA-N 2 1 234.387 2.633 10 0 BFAEMP CC[C@H](C)[N@@H+](C)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000051214675 171307827 /nfs/dbraw/zinc/30/78/27/171307827.db2.gz GJVOWKJRVFRMMA-DZGCQCFKSA-N 2 1 234.387 2.633 10 0 BFAEMP CC[C@H](C)[N@@H+](CC)Cc1cccc(C(N)=[NH2+])c1 ZINC000037113322 171312160 /nfs/dbraw/zinc/31/21/60/171312160.db2.gz ZPJMEYSMAHLXJA-NSHDSACASA-N 2 1 233.359 2.591 10 0 BFAEMP CC[C@H](C)[N@H+](CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000076630007 171314308 /nfs/dbraw/zinc/31/43/08/171314308.db2.gz FSCFDQDFLUILIO-LBPRGKRZSA-N 2 1 245.370 2.727 10 0 BFAEMP CC[C@H](C)[N@@H+](CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000076630007 171314309 /nfs/dbraw/zinc/31/43/09/171314309.db2.gz FSCFDQDFLUILIO-LBPRGKRZSA-N 2 1 245.370 2.727 10 0 BFAEMP CC[C@H](C)[N@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000062622416 171317750 /nfs/dbraw/zinc/31/77/50/171317750.db2.gz CNFCQLXZRGMSPO-GOEBONIOSA-N 2 1 246.398 2.692 10 0 BFAEMP CCc1[nH+]ccn1CC[NH2+][C@@H](C)CCC(C)C ZINC000053541428 172026504 /nfs/dbraw/zinc/02/65/04/172026504.db2.gz CYUNDDWHYJSLBN-ZDUSSCGKSA-N 2 1 237.391 2.860 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973272 172028881 /nfs/dbraw/zinc/02/88/81/172028881.db2.gz HPBALFGLOSABAO-YGRLFVJLSA-N 2 1 247.317 2.521 10 0 BFAEMP CCc1[nH+]ccn1[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042967873 172029119 /nfs/dbraw/zinc/02/91/19/172029119.db2.gz XPLAUOKVYJGALV-SWLSCSKDSA-N 2 1 243.354 2.691 10 0 BFAEMP CCc1[nH+]ccn1[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043046439 172029733 /nfs/dbraw/zinc/02/97/33/172029733.db2.gz IFQGTWLMTOHSLW-YGRLFVJLSA-N 2 1 247.317 2.521 10 0 BFAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]CCc1ccccc1 ZINC000049633303 173007594 /nfs/dbraw/zinc/00/75/94/173007594.db2.gz FWJZNYXNHXMROY-INIZCTEOSA-N 2 1 246.398 2.693 10 0 BFAEMP C[N@H+]1CCC[C@H](C[NH2+]C2(C)CCCCC2)C1 ZINC000054243778 173041164 /nfs/dbraw/zinc/04/11/64/173041164.db2.gz YKZDVWRLNPDACD-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCCC1)C2 ZINC000020523966 173206378 /nfs/dbraw/zinc/20/63/78/173206378.db2.gz DXURFELXFPALOB-GOOCMWNKSA-N 2 1 236.403 2.924 10 0 BFAEMP C[NH2+]CC(C)(C)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000051252326 173335736 /nfs/dbraw/zinc/33/57/36/173335736.db2.gz UTNYYDWOFDCUHR-AWEZNQCLSA-N 2 1 238.419 2.887 10 0 BFAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC000051205707 173338058 /nfs/dbraw/zinc/33/80/58/173338058.db2.gz FYYXVEBYUNMCQD-CYBMUJFWSA-N 2 1 224.392 2.641 10 0 BFAEMP C[NH2+]C[C@H](C)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000052505284 173375567 /nfs/dbraw/zinc/37/55/67/173375567.db2.gz RKBVSGOGQIQQEK-WDEREUQCSA-N 2 1 238.400 2.523 10 0 BFAEMP C[NH2+]C[C@H](C)C[N@H+]1CCc2sccc2[C@H]1C ZINC000052505284 173375569 /nfs/dbraw/zinc/37/55/69/173375569.db2.gz RKBVSGOGQIQQEK-WDEREUQCSA-N 2 1 238.400 2.523 10 0 BFAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000052381613 173390859 /nfs/dbraw/zinc/39/08/59/173390859.db2.gz YLNYDFAMLGUUNJ-CYBMUJFWSA-N 2 1 232.371 2.638 10 0 BFAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000052571831 173391539 /nfs/dbraw/zinc/39/15/39/173391539.db2.gz OQNUOCZCKZEQKV-LBPRGKRZSA-N 2 1 238.375 2.865 10 0 BFAEMP C[NH2+]Cc1oc2ccccc2c1C[N@@H+](C)C1CC1 ZINC000052445309 173399983 /nfs/dbraw/zinc/39/99/83/173399983.db2.gz FCNYSRSTAARLCK-UHFFFAOYSA-N 2 1 244.338 2.746 10 0 BFAEMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049713962 176018233 /nfs/dbraw/zinc/01/82/33/176018233.db2.gz GFXXCJOZNXWTGY-SUNKGSAMSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049713962 176018234 /nfs/dbraw/zinc/01/82/34/176018234.db2.gz GFXXCJOZNXWTGY-SUNKGSAMSA-N 2 1 236.334 2.698 10 0 BFAEMP C[C@@H]1C[NH2+]C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096985062 176328669 /nfs/dbraw/zinc/32/86/69/176328669.db2.gz XZJQKOZNXFMHON-GDBMZVCRSA-N 2 1 244.382 2.508 10 0 BFAEMP C[C@H](c1cccc(F)c1)[NH+]1CCC[NH2+]CCC1 ZINC000049667517 177036914 /nfs/dbraw/zinc/03/69/14/177036914.db2.gz ZZRIPSWJIPDOKU-GFCCVEGCSA-N 2 1 236.334 2.572 10 0 BFAEMP C[C@H](c1ccco1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915995 177049245 /nfs/dbraw/zinc/04/92/45/177049245.db2.gz PJBKBSDFBRCDFD-RDBSUJKOSA-N 2 1 248.370 2.805 10 0 BFAEMP C[C@H](c1ccco1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915995 177049247 /nfs/dbraw/zinc/04/92/47/177049247.db2.gz PJBKBSDFBRCDFD-RDBSUJKOSA-N 2 1 248.370 2.805 10 0 BFAEMP C[C@H]1CCCC[N@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037115949 177076729 /nfs/dbraw/zinc/07/67/29/177076729.db2.gz UKXKRYBHWCXACG-ZFWWWQNUSA-N 2 1 232.371 2.951 10 0 BFAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000022167439 177116848 /nfs/dbraw/zinc/11/68/48/177116848.db2.gz RORFIAJGFPKTPA-BETUJISGSA-N 2 1 232.371 2.908 10 0 BFAEMP C[C@H]1CCC[C@@H]([N@@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)C1 ZINC000049665916 177121251 /nfs/dbraw/zinc/12/12/51/177121251.db2.gz UTFXWHRQBYJXGN-BYNSBNAKSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000051732461 177164118 /nfs/dbraw/zinc/16/41/18/177164118.db2.gz QFRSTFQNKUHOPP-NWDGAFQWSA-N 2 1 245.370 2.591 10 0 BFAEMP C[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000052484695 177164785 /nfs/dbraw/zinc/16/47/85/177164785.db2.gz PSLXHXQYFZAGTL-ZDUSSCGKSA-N 2 1 244.382 2.780 10 0 BFAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CC1CCCCC1 ZINC000042427273 177189732 /nfs/dbraw/zinc/18/97/32/177189732.db2.gz VGYIESKFFVSTQD-JSGCOSHPSA-N 2 1 224.392 2.626 10 0 BFAEMP C[C@@H](c1ccccc1)[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049664309 177282050 /nfs/dbraw/zinc/28/20/50/177282050.db2.gz QSVDULFTXYBAIP-KBPBESRZSA-N 2 1 232.371 2.679 10 0 BFAEMP C[C@@H]1[C@@H](C)C[C@@H]([NH3+])[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592878 177326882 /nfs/dbraw/zinc/32/68/82/177326882.db2.gz UKWBVZXKIFQVBE-SFDCQRBFSA-N 2 1 232.371 2.633 10 0 BFAEMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000401644552 323102493 /nfs/dbraw/zinc/10/24/93/323102493.db2.gz KIAWYMWTFFEGTF-OLZOCXBDSA-N 2 1 249.402 2.767 10 0 BFAEMP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043325733 323273028 /nfs/dbraw/zinc/27/30/28/323273028.db2.gz IFIXJIJVRSAVJD-RDBSUJKOSA-N 2 1 238.419 2.933 10 0 BFAEMP CC(C)CC[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757135070 582513695 /nfs/dbraw/zinc/51/36/95/582513695.db2.gz YEBXIPMPCHLBBV-KBPBESRZSA-N 2 1 224.392 2.639 10 0 BFAEMP CC(C)CC[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757135074 582513951 /nfs/dbraw/zinc/51/39/51/582513951.db2.gz YEBXIPMPCHLBBV-ZIAGYGMSSA-N 2 1 224.392 2.639 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000252513100 535824715 /nfs/dbraw/zinc/82/47/15/535824715.db2.gz KFTHNWHLLWPSCF-MQYQWHSLSA-N 2 1 224.392 2.637 10 0 BFAEMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000252513100 535824716 /nfs/dbraw/zinc/82/47/16/535824716.db2.gz KFTHNWHLLWPSCF-MQYQWHSLSA-N 2 1 224.392 2.637 10 0 BFAEMP C[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000251992909 536362277 /nfs/dbraw/zinc/36/22/77/536362277.db2.gz ZKRIFXXOYPZNRQ-RBSFLKMASA-N 2 1 238.419 2.887 10 0 BFAEMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000251992909 536362279 /nfs/dbraw/zinc/36/22/79/536362279.db2.gz ZKRIFXXOYPZNRQ-RBSFLKMASA-N 2 1 238.419 2.887 10 0 BFAEMP CC1(c2ccc([C@@H]3CC[NH2+][C@H](C[NH3+])C3)cc2)CC1 ZINC000757212731 582561134 /nfs/dbraw/zinc/56/11/34/582561134.db2.gz JSKXHJXLJIBRNF-HIFRSBDPSA-N 2 1 244.382 2.532 10 0 BFAEMP CC(C)[C@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757129168 586426174 /nfs/dbraw/zinc/42/61/74/586426174.db2.gz KVPVSJYEQRWNOB-HZSPNIEDSA-N 2 1 224.392 2.637 10 0 BFAEMP CCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757129048 586426399 /nfs/dbraw/zinc/42/63/99/586426399.db2.gz KRMQIKXXINFVDR-BFHYXJOUSA-N 2 1 224.392 2.782 10 0 BFAEMP C[NH+](C)C1(C[NH2+]CCc2ccccc2)CCCC1 ZINC000105838308 588225027 /nfs/dbraw/zinc/22/50/27/588225027.db2.gz GQGKSSIQIDGRKY-UHFFFAOYSA-N 2 1 246.398 2.693 10 0 BFAEMP CCC[N@H+]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000076453361 641812760 /nfs/dbraw/zinc/81/27/60/641812760.db2.gz ALGCXVBUFFWJPH-INIZCTEOSA-N 2 1 246.398 2.551 10 0 BFAEMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccco2)CC1 ZINC000714754561 712497766 /nfs/dbraw/zinc/49/77/66/712497766.db2.gz WHGZUWBHSGQMAE-NSHDSACASA-N 2 1 222.332 2.544 10 0 BFAEMP CC[NH+](CC)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000045689995 711488010 /nfs/dbraw/zinc/48/80/10/711488010.db2.gz YEKBDMUHFRCMPC-AWEZNQCLSA-N 2 1 234.387 2.549 10 0 BFAEMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccoc2)CC1 ZINC000714754328 712497868 /nfs/dbraw/zinc/49/78/68/712497868.db2.gz RLDUOSYRCZITIX-NSHDSACASA-N 2 1 222.332 2.544 10 0 BFAEMP C[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C(C)(C)C ZINC000715025897 712504141 /nfs/dbraw/zinc/50/41/41/712504141.db2.gz YNEPKCHQUZMAOK-MCIONIFRSA-N 2 1 238.419 2.743 10 0 BFAEMP C[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C(C)(C)C ZINC000715025897 712504143 /nfs/dbraw/zinc/50/41/43/712504143.db2.gz YNEPKCHQUZMAOK-MCIONIFRSA-N 2 1 238.419 2.743 10 0 BFAEMP