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+])[C@]12CCCOCC2 ZINC000685953934 538898718 /nfs/dbraw/zinc/89/87/18/538898718.db2.gz JPMRAJZMKVSZMO-VXGBXAGGSA-N 2 1 212.337 1.367 10 0 BDAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955188 538900322 /nfs/dbraw/zinc/90/03/22/538900322.db2.gz VRJQPRHZDHCKMB-WRWGMCAJSA-N 2 1 212.337 1.366 10 0 BDAEMP Cc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1F ZINC000685965615 538912212 /nfs/dbraw/zinc/91/22/12/538912212.db2.gz LDSDHCCYXMJDEA-PWSUYJOCSA-N 2 1 208.280 1.538 10 0 BDAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2cccc(F)c2)C1 ZINC000036352051 343979034 /nfs/dbraw/zinc/97/90/34/343979034.db2.gz NTVLHMJXZIPRNF-DGCLKSJQSA-N 2 1 222.307 1.647 10 0 BDAEMP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(F)cc1F ZINC000258722402 349514448 /nfs/dbraw/zinc/51/44/48/349514448.db2.gz JABQDEANECGDMW-MRVPVSSYSA-N 2 1 214.259 1.792 10 0 BDAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H]1CCSC1 ZINC000252126588 398185595 /nfs/dbraw/zinc/18/55/95/398185595.db2.gz LMKTYNGITJBRKS-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP Cc1cc(N(C)C[C@@H](C)C[NH3+])nc(C)[nH+]1 ZINC000042455548 178099462 /nfs/dbraw/zinc/09/94/62/178099462.db2.gz VOPSYLXDLDAGEM-QMMMGPOBSA-N 2 1 208.309 1.124 10 0 BDAEMP Cc1cc(N(CC[NH3+])C(C)C)nc(C)[nH+]1 ZINC000053706303 178102818 /nfs/dbraw/zinc/10/28/18/178102818.db2.gz SQUBOWMPGMNYSL-UHFFFAOYSA-N 2 1 208.309 1.267 10 0 BDAEMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335517357 398290244 /nfs/dbraw/zinc/29/02/44/398290244.db2.gz JSVMOFIFOKYWDK-STQMWFEESA-N 3 1 225.380 1.201 10 0 BDAEMP CC[N@H+]1CCC[C@]2(CC1)[NH2+][C@@H](C)CS2 ZINC000226585186 342842413 /nfs/dbraw/zinc/84/24/13/342842413.db2.gz TTYJMZSNWLOZHQ-QWRGUYRKSA-N 2 1 214.378 1.913 10 0 BDAEMP COC(C)(C)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000159220665 349756857 /nfs/dbraw/zinc/75/68/57/349756857.db2.gz SEQKNTNBLZLMAD-NXEZZACHSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@H]1SCCC[C@]1(C[NH3+])[NH+]1CCC1 ZINC000306670202 362032005 /nfs/dbraw/zinc/03/20/05/362032005.db2.gz XKRGHBOUGOOMGJ-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP COc1ccc(C[N@H+](C)CCC(N)=[NH2+])cc1 ZINC000019834306 187252636 /nfs/dbraw/zinc/25/26/36/187252636.db2.gz GZXMQLDGJHVHKQ-UHFFFAOYSA-N 2 1 221.304 1.453 10 0 BDAEMP COc1ccc(C[N@@H+](C)CCC(N)=[NH2+])cc1 ZINC000019834306 187252638 /nfs/dbraw/zinc/25/26/38/187252638.db2.gz GZXMQLDGJHVHKQ-UHFFFAOYSA-N 2 1 221.304 1.453 10 0 BDAEMP OC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000034504535 343273495 /nfs/dbraw/zinc/27/34/95/343273495.db2.gz DIMVGATXKOPJIK-ZDUSSCGKSA-N 2 1 220.316 1.062 10 0 BDAEMP CC(C)[N@@H+](CCO)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042479664 187265822 /nfs/dbraw/zinc/26/58/22/187265822.db2.gz FAHYOWQXVPRFQM-UHFFFAOYSA-N 2 1 235.331 1.173 10 0 BDAEMP C(C[NH+]1CCSCC1)[C@@H]1CCCC[NH2+]1 ZINC000043498768 187267153 /nfs/dbraw/zinc/26/71/53/187267153.db2.gz PWPAZKUCFVMJSH-NSHDSACASA-N 2 1 214.378 1.567 10 0 BDAEMP COC(C)(C)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000159221073 349828857 /nfs/dbraw/zinc/82/88/57/349828857.db2.gz SEQKNTNBLZLMAD-UWVGGRQHSA-N 2 1 200.326 1.223 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](CCc2ccco2)[C@H](C)C1 ZINC000049713513 187269910 /nfs/dbraw/zinc/26/99/10/187269910.db2.gz INWSGNAENYKORQ-VXGBXAGGSA-N 2 1 222.332 1.894 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2ccco2)[C@H](C)C1 ZINC000049713513 187269911 /nfs/dbraw/zinc/26/99/11/187269911.db2.gz INWSGNAENYKORQ-VXGBXAGGSA-N 2 1 222.332 1.894 10 0 BDAEMP C[N@@H+]([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000043501204 343780832 /nfs/dbraw/zinc/78/08/32/343780832.db2.gz RNWKFQHQUFJJKZ-JTQLQIEISA-N 2 1 200.351 1.176 10 0 BDAEMP CCOC[C@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000313284370 343791473 /nfs/dbraw/zinc/79/14/73/343791473.db2.gz FGCHTTMKOQIXHV-CYBMUJFWSA-N 2 1 226.364 1.629 10 0 BDAEMP CC(C)c1ccc([C@@H]2C[NH2+]C[C@H]2[NH3+])cc1 ZINC000220990666 343793158 /nfs/dbraw/zinc/79/31/58/343793158.db2.gz BKZHCYURBXZCMY-QWHCGFSZSA-N 2 1 204.317 1.824 10 0 BDAEMP CCCC1(C[N@H+]2CCOC[C@H]2C)CC[NH2+]CC1 ZINC000062850682 187274054 /nfs/dbraw/zinc/27/40/54/187274054.db2.gz YOGIWDKKZYHHPN-CYBMUJFWSA-N 2 1 240.391 1.877 10 0 BDAEMP C1CC1[N@@H+](C1CC[NH2+]CC1)C1CCOCC1 ZINC000409425271 343818718 /nfs/dbraw/zinc/81/87/18/343818718.db2.gz AEORMRATZPNTCQ-UHFFFAOYSA-N 2 1 224.348 1.382 10 0 BDAEMP CC(C)[N@H+]1CCO[C@@H](C2CC[NH2+]CC2)C1 ZINC000409431854 343823053 /nfs/dbraw/zinc/82/30/53/343823053.db2.gz LMBHRXWIOLQLCK-GFCCVEGCSA-N 2 1 212.337 1.095 10 0 BDAEMP NCC[N@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409429598 343806203 /nfs/dbraw/zinc/80/62/03/343806203.db2.gz OTQJLZQOJWJNRS-IUCAKERBSA-N 2 1 204.264 1.312 10 0 BDAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccc(F)cc2)C1 ZINC000022130089 343908030 /nfs/dbraw/zinc/90/80/30/343908030.db2.gz MNZRUJJUKNTAGB-AAEUAGOBSA-N 2 1 222.307 1.647 10 0 BDAEMP [NH3+]C[C@@](F)(C1CC1)[C@H]1CCCCC[NH2+]1 ZINC000158411527 344645548 /nfs/dbraw/zinc/64/55/48/344645548.db2.gz YLFVSPRDXFJRMN-GHMZBOCLSA-N 2 1 200.301 1.596 10 0 BDAEMP Cc1cccnc1NC[C@@H]1CC[N@H+](C)C1 ZINC000051040955 187296181 /nfs/dbraw/zinc/29/61/81/187296181.db2.gz XNSNVIGXZKQOBS-NSHDSACASA-N 2 1 205.305 1.754 10 0 BDAEMP Cc1ccc[nH+]c1NC[C@@H]1CC[N@@H+](C)C1 ZINC000051040955 187296183 /nfs/dbraw/zinc/29/61/83/187296183.db2.gz XNSNVIGXZKQOBS-NSHDSACASA-N 2 1 205.305 1.754 10 0 BDAEMP Cc1ccc[nH+]c1NC[C@@H]1CC[N@H+](C)C1 ZINC000051040955 187296184 /nfs/dbraw/zinc/29/61/84/187296184.db2.gz XNSNVIGXZKQOBS-NSHDSACASA-N 2 1 205.305 1.754 10 0 BDAEMP C[NH2+]Cc1cccc(-n2cc[nH+]c2C)n1 ZINC000051490848 187299118 /nfs/dbraw/zinc/29/91/18/187299118.db2.gz JCGWSLXALWMPMO-UHFFFAOYSA-N 2 1 202.261 1.295 10 0 BDAEMP C[C@@H]1CC[NH2+]C[C@@H]1N(C)c1cc[nH+]c2[nH]ccc21 ZINC000113641749 345754303 /nfs/dbraw/zinc/75/43/03/345754303.db2.gz DVEVUARCWGLMFE-MFKMUULPSA-N 2 1 244.342 1.997 10 0 BDAEMP CC[NH+](CC)CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000142382540 345705342 /nfs/dbraw/zinc/70/53/42/345705342.db2.gz WOQAWIICTLUYLZ-AWEZNQCLSA-N 2 1 239.407 1.498 10 0 BDAEMP CNc1cc(NCCC[NH+](C)C)[nH+]c(C)n1 ZINC000087808295 345942230 /nfs/dbraw/zinc/94/22/30/345942230.db2.gz QKMQCDKPGUOPPF-UHFFFAOYSA-N 2 1 223.324 1.190 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CNC[C@H](C[NH3+])C1 ZINC000669378411 537966176 /nfs/dbraw/zinc/96/61/76/537966176.db2.gz DMZJLPXVXFRWJC-AGIUHOORSA-N 2 1 225.380 1.045 10 0 BDAEMP COC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CCCC1 ZINC000396634481 362826274 /nfs/dbraw/zinc/82/62/74/362826274.db2.gz ZAZKAIDGFQMLIV-RYUDHWBXSA-N 2 1 226.364 1.676 10 0 BDAEMP [NH3+]C[C@@H]1CCCC[N@@H+]1[C@H]1CCSC1 ZINC000250939344 362827799 /nfs/dbraw/zinc/82/77/99/362827799.db2.gz ZAGFSBOLXLAJOV-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]C[C@@H]1CCCC[N@H+]1[C@H]1CCSC1 ZINC000250939344 362827802 /nfs/dbraw/zinc/82/78/02/362827802.db2.gz ZAGFSBOLXLAJOV-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H](CN[C@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000390644070 259396437 /nfs/dbraw/zinc/39/64/37/259396437.db2.gz LSBYSHRGHQETBZ-HIFRSBDPSA-N 2 1 247.386 1.458 10 0 BDAEMP Cc1[nH+]ccn1CCN1CCC[C@H]1C[NH2+]C1CC1 ZINC000053649489 180250704 /nfs/dbraw/zinc/25/07/04/180250704.db2.gz FSEPRUVQAVFKLY-AWEZNQCLSA-N 2 1 248.374 1.408 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1O ZINC000052015183 180263074 /nfs/dbraw/zinc/26/30/74/180263074.db2.gz FJUMRSWHHPFQIJ-RYUDHWBXSA-N 2 1 223.320 1.085 10 0 BDAEMP Cc1[nH+]ccn1CCOc1ccccc1C(N)=[NH2+] ZINC000049330668 180263607 /nfs/dbraw/zinc/26/36/07/180263607.db2.gz DBWXVRASZSUEQK-UHFFFAOYSA-N 2 1 244.298 1.555 10 0 BDAEMP Cc1[nH+]ccn1[C@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043354892 180271717 /nfs/dbraw/zinc/27/17/17/180271717.db2.gz NAOAGDGGCWLYKS-CABZTGNLSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043348738 180271914 /nfs/dbraw/zinc/27/19/14/180271914.db2.gz CXZBRRLHPOKYMP-JOYOIKCWSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccncc1 ZINC000043354888 180271993 /nfs/dbraw/zinc/27/19/93/180271993.db2.gz DUGNKHYLNVKYEP-LLVKDONJSA-N 2 1 202.261 1.135 10 0 BDAEMP Cc1[nH+]cn([C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])c1C ZINC000051925761 180288761 /nfs/dbraw/zinc/28/87/61/180288761.db2.gz LVJAJKGQJFBQTJ-PRHODGIISA-N 2 1 233.319 1.170 10 0 BDAEMP C[C@@H]1CSCC[N@@H+]1[C@H]1CCC[C@@H]1[NH3+] ZINC000251865009 362972382 /nfs/dbraw/zinc/97/23/82/362972382.db2.gz SUUHZDOTUQJRND-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@H]1CCC[C@@H]1[NH3+] ZINC000251865009 362972390 /nfs/dbraw/zinc/97/23/90/362972390.db2.gz SUUHZDOTUQJRND-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]([C@H](C)[NH3+])[N@H+]1CCSC(C)(C)CC1 ZINC000306701726 350850850 /nfs/dbraw/zinc/85/08/50/350850850.db2.gz HDJVVGLCQZERFX-VHSXEESVSA-N 2 1 216.394 1.940 10 0 BDAEMP [NH3+]CC[NH2+]CCCOCc1ccccc1 ZINC000306735205 350906252 /nfs/dbraw/zinc/90/62/52/350906252.db2.gz VZFBKWGASOHWAT-UHFFFAOYSA-N 2 1 208.305 1.142 10 0 BDAEMP CC1(C)CN(C(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000306786023 351032827 /nfs/dbraw/zinc/03/28/27/351032827.db2.gz OQXPWQYWTQHXHS-UHFFFAOYSA-N 2 1 246.358 1.476 10 0 BDAEMP CC1(C)CN(C(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000306786023 351032830 /nfs/dbraw/zinc/03/28/30/351032830.db2.gz OQXPWQYWTQHXHS-UHFFFAOYSA-N 2 1 246.358 1.476 10 0 BDAEMP COC1(C)CC[NH+]([C@H](C)[C@H](C)[NH3+])CC1 ZINC000306803350 351057974 /nfs/dbraw/zinc/05/79/74/351057974.db2.gz AHENBRRGQBGHPT-VHSXEESVSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@]1(C[NH3+])CC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000306831065 351146118 /nfs/dbraw/zinc/14/61/18/351146118.db2.gz JYLUDWZVYNGQDS-ZYHUDNBSSA-N 2 1 210.321 1.169 10 0 BDAEMP C[C@]1(C[NH3+])CC[N@H+]([C@@H]2CCCCC2=O)C1 ZINC000306831065 351146119 /nfs/dbraw/zinc/14/61/19/351146119.db2.gz JYLUDWZVYNGQDS-ZYHUDNBSSA-N 2 1 210.321 1.169 10 0 BDAEMP FC(F)(F)CC[NH+]1CCC[NH2+]CCC1 ZINC000063101200 351139570 /nfs/dbraw/zinc/13/95/70/351139570.db2.gz COVHLSVVIMFCMO-UHFFFAOYSA-N 2 1 210.243 1.624 10 0 BDAEMP CC(C)(C)[N@H+]1CCO[C@@H](CC[NH3+])CC1 ZINC000616666213 351225462 /nfs/dbraw/zinc/22/54/62/351225462.db2.gz KZPZDWWWHCWEMZ-JTQLQIEISA-N 2 1 200.326 1.225 10 0 BDAEMP C[N@H+]1CC[C@@H](NC(=[NH2+])NCc2ccccc2)C1 ZINC000306987229 351403668 /nfs/dbraw/zinc/40/36/68/351403668.db2.gz PZHCPQGSCOFWCD-GFCCVEGCSA-N 2 1 232.331 1.005 10 0 BDAEMP C[C@@H]([NH3+])c1cnc(C[NH+]2CCCC2)s1 ZINC000307144285 351502188 /nfs/dbraw/zinc/50/21/88/351502188.db2.gz HZURYYKKOWDSDT-MRVPVSSYSA-N 2 1 211.334 1.759 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@@H+](C)C1CC([NH3+])C1 ZINC000307245274 351753249 /nfs/dbraw/zinc/75/32/49/351753249.db2.gz MBGQGVJQQGZIQM-AUXWQGHOSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@H]1CSC[C@H]1[N@@H+](C)C1CC([NH3+])C1 ZINC000307245317 351753492 /nfs/dbraw/zinc/75/34/92/351753492.db2.gz VQHOPXYJRQQHJT-AUXWQGHOSA-N 2 1 200.351 1.159 10 0 BDAEMP [NH3+]C[C@@H]1CCC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000420205629 192174470 /nfs/dbraw/zinc/17/44/70/192174470.db2.gz RVXLSEYVHXEWKE-WPRPVWTQSA-N 2 1 231.303 1.497 10 0 BDAEMP C[C@H]1C[N@H+](C)CCN1C(=[NH2+])NCc1ccccc1 ZINC000307535063 352639911 /nfs/dbraw/zinc/63/99/11/352639911.db2.gz BJOBAGPPGMBEES-LBPRGKRZSA-N 2 1 246.358 1.347 10 0 BDAEMP C[C@H]1C[N@@H+](C)CCN1C(=[NH2+])NCc1ccccc1 ZINC000307535063 352639913 /nfs/dbraw/zinc/63/99/13/352639913.db2.gz BJOBAGPPGMBEES-LBPRGKRZSA-N 2 1 246.358 1.347 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]([N@H+]2CCCSCC2)C1 ZINC000223138683 353139510 /nfs/dbraw/zinc/13/95/10/353139510.db2.gz LXKAUAPCSIRLKR-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1CC[NH2+]CC[N@H+]1[C@@H]1CCSC1 ZINC000405275665 353156113 /nfs/dbraw/zinc/15/61/13/353156113.db2.gz WXYKHRXOVSZBRX-VHSXEESVSA-N 2 1 200.351 1.176 10 0 BDAEMP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000577946712 366124880 /nfs/dbraw/zinc/12/48/80/366124880.db2.gz FZONCHJMYRBGGE-STQMWFEESA-N 2 1 233.359 1.868 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000630078806 363284057 /nfs/dbraw/zinc/28/40/57/363284057.db2.gz VRUQBEIOUIAJGQ-BDAKNGLRSA-N 2 1 211.334 1.170 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000630078806 363284062 /nfs/dbraw/zinc/28/40/62/363284062.db2.gz VRUQBEIOUIAJGQ-BDAKNGLRSA-N 2 1 211.334 1.170 10 0 BDAEMP COC(C)(C)[C@H](C)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000301039093 363358431 /nfs/dbraw/zinc/35/84/31/363358431.db2.gz YLUAWSJQJYKHQJ-UTLUCORTSA-N 2 1 200.326 1.079 10 0 BDAEMP CC[NH+]1CCC(N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502074 358492792 /nfs/dbraw/zinc/49/27/92/358492792.db2.gz LNYUDHTWTDOXCO-AWEZNQCLSA-N 2 1 239.407 1.545 10 0 BDAEMP NC(=[NH2+])CCC[N@H+]1CCc2ccccc2C1 ZINC000019504009 181187133 /nfs/dbraw/zinc/18/71/33/181187133.db2.gz CILJDHYMJYHDLJ-UHFFFAOYSA-N 2 1 217.316 1.761 10 0 BDAEMP CNC(=[NH2+])N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406013662 355611827 /nfs/dbraw/zinc/61/18/27/355611827.db2.gz VBBUABWSYSYABV-CQSZACIVSA-N 2 1 246.358 1.395 10 0 BDAEMP C[N@@H+](C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000675059037 538483395 /nfs/dbraw/zinc/48/33/95/538483395.db2.gz HTGDJQAMSFMKCW-OAHLLOKOSA-N 2 1 246.354 1.460 10 0 BDAEMP C[C@H]1CCC[N@@H+](Cc2c(C[NH3+])cnn2C)[C@H]1C ZINC000675056007 538477025 /nfs/dbraw/zinc/47/70/25/538477025.db2.gz HTNHSNVMARDLHZ-QWRGUYRKSA-N 2 1 236.363 1.499 10 0 BDAEMP C[C@H]1C[C@H](C2=C[C@@H]([NH3+])C[NH2+]C2)C[C@@H](C)C1 ZINC000675077240 538512703 /nfs/dbraw/zinc/51/27/03/538512703.db2.gz BIKUCAGSYDWBIH-MPPDQPJWSA-N 2 1 208.349 1.916 10 0 BDAEMP CC(C)C[NH2+]CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000126547386 538533750 /nfs/dbraw/zinc/53/37/50/538533750.db2.gz KSXYGKJTVDIEND-CHWSQXEVSA-N 2 1 210.365 1.964 10 0 BDAEMP CCC[C@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000390403484 357096905 /nfs/dbraw/zinc/09/69/05/357096905.db2.gz APDKBFLFJANYEC-SFYZADRCSA-N 2 1 212.297 1.020 10 0 BDAEMP CCc1nc(N[C@@H](C)CCC[NH3+])cc(C)[nH+]1 ZINC000304357856 357164244 /nfs/dbraw/zinc/16/42/44/357164244.db2.gz RPMQFUWRSDWDCE-VIFPVBQESA-N 2 1 222.336 1.887 10 0 BDAEMP COC(=O)[C@@H](C)[NH2+]C1CCC(C)(C[NH3+])CC1 ZINC000685946546 538885581 /nfs/dbraw/zinc/88/55/81/538885581.db2.gz SAPLWGASHAZRHK-GRZMOONWSA-N 2 1 228.336 1.045 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCCO[C@H](C)C1 ZINC000685951791 538895459 /nfs/dbraw/zinc/89/54/59/538895459.db2.gz YPAMEBWHTJDONY-IJLUTSLNSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1[NH3+] ZINC000235683582 357927922 /nfs/dbraw/zinc/92/79/22/357927922.db2.gz RJURTHQTDCUNJU-JSGCOSHPSA-N 2 1 218.344 1.898 10 0 BDAEMP C[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1[NH3+] ZINC000235683582 357927923 /nfs/dbraw/zinc/92/79/23/357927923.db2.gz RJURTHQTDCUNJU-JSGCOSHPSA-N 2 1 218.344 1.898 10 0 BDAEMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C/C=C/Cl ZINC000300345426 358966765 /nfs/dbraw/zinc/96/67/65/358966765.db2.gz VWBJVPDQUNRBJV-OTIHIVFHSA-N 2 1 202.729 1.669 10 0 BDAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C/C=C/Cl ZINC000300345426 358966769 /nfs/dbraw/zinc/96/67/69/358966769.db2.gz VWBJVPDQUNRBJV-OTIHIVFHSA-N 2 1 202.729 1.669 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@@H+]1CCC[C@H]1C[NH3+] ZINC000300351475 358970734 /nfs/dbraw/zinc/97/07/34/358970734.db2.gz ANSQGVABADWSBS-GUBZILKMSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@H+]1CCC[C@H]1C[NH3+] ZINC000300351475 358970738 /nfs/dbraw/zinc/97/07/38/358970738.db2.gz ANSQGVABADWSBS-GUBZILKMSA-N 2 1 200.351 1.304 10 0 BDAEMP CC[C@H]([NH3+])CNc1[nH+]c2ccccc2n1C ZINC000070609149 359059230 /nfs/dbraw/zinc/05/92/30/359059230.db2.gz XWJYYDRRGNJNRD-VIFPVBQESA-N 2 1 218.304 1.723 10 0 BDAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](CCC(F)F)[C@H]1C ZINC000306219527 359338324 /nfs/dbraw/zinc/33/83/24/359338324.db2.gz MXWGVILITJHOEH-CIUDSAMLSA-N 2 1 206.280 1.699 10 0 BDAEMP CC(C)[C@H]1C[N@@H+]([C@@H](C)CN)CCCO1 ZINC000306469166 360084331 /nfs/dbraw/zinc/08/43/31/360084331.db2.gz OXYZFDSZLTTWGM-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H]1C[N@H+]([C@@H](C)CN)CCCO1 ZINC000306469166 360084332 /nfs/dbraw/zinc/08/43/32/360084332.db2.gz OXYZFDSZLTTWGM-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H]1C[N@@H+]([C@@H](C)C[NH3+])CCCO1 ZINC000306469166 360084335 /nfs/dbraw/zinc/08/43/35/360084335.db2.gz OXYZFDSZLTTWGM-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H]1C[N@H+]([C@@H](C)C[NH3+])CCCO1 ZINC000306469166 360084337 /nfs/dbraw/zinc/08/43/37/360084337.db2.gz OXYZFDSZLTTWGM-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H](C[NH3+])[C@H](C)[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000306559155 360434046 /nfs/dbraw/zinc/43/40/46/360434046.db2.gz QGMQIIBOYBLJFM-VPOLOUISSA-N 2 1 200.326 1.079 10 0 BDAEMP CC(C)[C@@H]1C[C@](C[NH3+])([NH+](C)C)CCO1 ZINC000069892056 360950301 /nfs/dbraw/zinc/95/03/01/360950301.db2.gz HIYTUJOLAURXMP-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000579227551 366737871 /nfs/dbraw/zinc/73/78/71/366737871.db2.gz OXTRFMRFUNNBCV-STQMWFEESA-N 2 1 242.407 1.715 10 0 BDAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC000040750152 181344281 /nfs/dbraw/zinc/34/42/81/181344281.db2.gz VBXBCKGHOQHSCR-JKWSXGQESA-N 2 1 200.713 1.693 10 0 BDAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC000040750152 181344284 /nfs/dbraw/zinc/34/42/84/181344284.db2.gz VBXBCKGHOQHSCR-JKWSXGQESA-N 2 1 200.713 1.693 10 0 BDAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccnc1 ZINC000054628349 181344973 /nfs/dbraw/zinc/34/49/73/181344973.db2.gz KOGYBKOGRMDPPW-AGUYFDCRSA-N 2 1 231.343 1.578 10 0 BDAEMP COc1cccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074073397 541313171 /nfs/dbraw/zinc/31/31/71/541313171.db2.gz TVLSUIGXKZKJHQ-WCQYABFASA-N 2 1 220.316 1.789 10 0 BDAEMP COc1cccc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000074073397 541313175 /nfs/dbraw/zinc/31/31/75/541313175.db2.gz TVLSUIGXKZKJHQ-WCQYABFASA-N 2 1 220.316 1.789 10 0 BDAEMP CO[C@@H]1C[N@H+](CCCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356825 364078095 /nfs/dbraw/zinc/07/80/95/364078095.db2.gz BASGBNWXVAHBDQ-STQMWFEESA-N 2 1 244.379 1.240 10 0 BDAEMP CO[C@@H]1C[N@@H+](CCCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356825 364078098 /nfs/dbraw/zinc/07/80/98/364078098.db2.gz BASGBNWXVAHBDQ-STQMWFEESA-N 2 1 244.379 1.240 10 0 BDAEMP C[C@H](C[NH3+])[C@@H](C)[N@H+]1CCSC[C@H]1C ZINC000252610160 364016225 /nfs/dbraw/zinc/01/62/25/364016225.db2.gz ULTHJTTVIOSKEX-OPRDCNLKSA-N 2 1 202.367 1.407 10 0 BDAEMP CO[C@H]1C[N@@H+](CC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630365886 364083687 /nfs/dbraw/zinc/08/36/87/364083687.db2.gz WQTXSQJQBQMOJH-NEPJUHHUSA-N 2 1 212.337 1.225 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCO[C@H]3CCC[C@@H]32)CCCC1 ZINC000051252599 181359341 /nfs/dbraw/zinc/35/93/41/181359341.db2.gz TUSWVMMIPJLKIT-STQMWFEESA-N 2 1 238.375 1.759 10 0 BDAEMP [NH3+]C[C@H]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000630557837 364255797 /nfs/dbraw/zinc/25/57/97/364255797.db2.gz TZLMTOWTQOCYAH-XYPYZODXSA-N 2 1 244.342 1.914 10 0 BDAEMP Cc1cccc(N2C[C@@H](C)[C@@H](C[NH3+])C2)[nH+]1 ZINC000630568694 364264422 /nfs/dbraw/zinc/26/44/22/364264422.db2.gz IQEYYYMRSRHPBQ-KOLCDFICSA-N 2 1 205.305 1.421 10 0 BDAEMP [NH3+]CCc1nc2c(s1)C[N@H+](C1CC1)CC2 ZINC000308961984 541351597 /nfs/dbraw/zinc/35/15/97/541351597.db2.gz GPIZOWPFHCOQKA-UHFFFAOYSA-N 2 1 223.345 1.165 10 0 BDAEMP [NH3+]CCCCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000062973662 181375500 /nfs/dbraw/zinc/37/55/00/181375500.db2.gz HYJNNRSPRSHFOZ-AWEZNQCLSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CCCCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973662 181375501 /nfs/dbraw/zinc/37/55/01/181375501.db2.gz HYJNNRSPRSHFOZ-AWEZNQCLSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000037712818 181397212 /nfs/dbraw/zinc/39/72/12/181397212.db2.gz PGODUORJRPJZCT-UHFFFAOYSA-N 2 1 208.280 1.620 10 0 BDAEMP [NH3+]CC[C@H](Nc1[nH]c2ccccc2[nH+]1)C(F)F ZINC000383241336 367607958 /nfs/dbraw/zinc/60/79/58/367607958.db2.gz BRBGBSYPMWSZCG-VIFPVBQESA-N 2 1 240.257 1.957 10 0 BDAEMP CO[C@H](C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631836830 369085020 /nfs/dbraw/zinc/08/50/20/369085020.db2.gz HQWKNAMIYXMLGD-AEGPPILISA-N 2 1 248.370 1.901 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000631840758 369311402 /nfs/dbraw/zinc/31/14/02/369311402.db2.gz VGJMSUJULZLNQX-JQWIXIFHSA-N 2 1 205.305 1.108 10 0 BDAEMP C[C@@H]1SCC[N@@H+](C(C)(C)C[NH3+])[C@H]1C ZINC000132278442 371783821 /nfs/dbraw/zinc/78/38/21/371783821.db2.gz HQSOOBURSONAAK-IUCAKERBSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1SCC[N@H+](C(C)(C)C[NH3+])[C@H]1C ZINC000132278442 371783827 /nfs/dbraw/zinc/78/38/27/371783827.db2.gz HQSOOBURSONAAK-IUCAKERBSA-N 2 1 202.367 1.550 10 0 BDAEMP CSC[C@@H](C)[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000229422013 372151003 /nfs/dbraw/zinc/15/10/03/372151003.db2.gz XMBMGVAAJZIDRG-VHSXEESVSA-N 2 1 202.367 1.422 10 0 BDAEMP CCC[NH+]1CCC([NH2+][C@@H](C)CC)(C(N)=O)CC1 ZINC000038064880 169189306 /nfs/dbraw/zinc/18/93/06/169189306.db2.gz CQTYISDZWZDQDS-NSHDSACASA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](CC)CO)C1 ZINC000037221576 169194401 /nfs/dbraw/zinc/19/44/01/169194401.db2.gz XPKNHYOJXLTQIX-MCIONIFRSA-N 2 1 242.407 1.857 10 0 BDAEMP CCCN1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000020073821 169202415 /nfs/dbraw/zinc/20/24/15/169202415.db2.gz UPCWTFUVHOZDHU-UHFFFAOYSA-N 2 1 241.423 1.923 10 0 BDAEMP CCC[NH2+]C1CCN(C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000037647606 169255807 /nfs/dbraw/zinc/25/58/07/169255807.db2.gz FEHQXKJVHFKRRU-ZDUSSCGKSA-N 2 1 239.407 1.402 10 0 BDAEMP CCC[NH2+]C[C@@H](CC)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104131409 169263002 /nfs/dbraw/zinc/26/30/02/169263002.db2.gz OEFPQVWOQCLLFE-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)[C@@H]2CCCO2)C1 ZINC000053031166 169262145 /nfs/dbraw/zinc/26/21/45/169262145.db2.gz VODDZMXKMMNWLM-IHRRRGAJSA-N 2 1 240.391 1.875 10 0 BDAEMP CCCNC(=O)[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020316059 169245612 /nfs/dbraw/zinc/24/56/12/169245612.db2.gz AJMXAJMGIDLFGU-LBPRGKRZSA-N 2 1 243.395 1.223 10 0 BDAEMP CCC[NH2+]C[C@H](CC)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104131414 169263346 /nfs/dbraw/zinc/26/33/46/169263346.db2.gz OEFPQVWOQCLLFE-ZDUSSCGKSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+]C[C@](C)(CCC)C[N@H+]1CC[C@H](O)C1 ZINC000061711739 169264421 /nfs/dbraw/zinc/26/44/21/169264421.db2.gz FFDBZOGHHPOQTO-KBPBESRZSA-N 2 1 242.407 1.859 10 0 BDAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000053880273 169282100 /nfs/dbraw/zinc/28/21/00/169282100.db2.gz YBEWRGSALSFKDZ-TZMCWYRMSA-N 2 1 240.391 1.611 10 0 BDAEMP Cn1c2ccccc2[nH+]c1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335576303 384337550 /nfs/dbraw/zinc/33/75/50/384337550.db2.gz BDVLRICBUCDOGZ-GHMZBOCLSA-N 2 1 244.342 1.535 10 0 BDAEMP FC1(F)CCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335662169 384467623 /nfs/dbraw/zinc/46/76/23/384467623.db2.gz ITTWREWQLMOMAF-VHSXEESVSA-N 2 1 218.291 1.763 10 0 BDAEMP CCSCC[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000372468486 384515411 /nfs/dbraw/zinc/51/54/11/384515411.db2.gz HWZZWJOMLRHFAL-SNVBAGLBSA-N 2 1 225.361 1.541 10 0 BDAEMP [NH3+]C[C@H]1CC[N@H+](C2CCSCC2)C1 ZINC000050245540 384608622 /nfs/dbraw/zinc/60/86/22/384608622.db2.gz QAFCTUSMHXOKLU-SECBINFHSA-N 2 1 200.351 1.163 10 0 BDAEMP [NH3+][C@@H]1CCC[C@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000335397804 384799645 /nfs/dbraw/zinc/79/96/45/384799645.db2.gz DGZKZRHSRCMMPL-ZJUUUORDSA-N 2 1 230.315 1.667 10 0 BDAEMP [NH3+][C@H]1CCC[C@@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000335397803 384801583 /nfs/dbraw/zinc/80/15/83/384801583.db2.gz DGZKZRHSRCMMPL-VHSXEESVSA-N 2 1 230.315 1.667 10 0 BDAEMP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000231354547 385796287 /nfs/dbraw/zinc/79/62/87/385796287.db2.gz NKJBHGKTTHVRFF-SNVBAGLBSA-N 2 1 237.372 1.717 10 0 BDAEMP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000231354547 385796293 /nfs/dbraw/zinc/79/62/93/385796293.db2.gz NKJBHGKTTHVRFF-SNVBAGLBSA-N 2 1 237.372 1.717 10 0 BDAEMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)CS1 ZINC000575535753 385908463 /nfs/dbraw/zinc/90/84/63/385908463.db2.gz ZRWDBFCCARPHJV-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)CS1 ZINC000575535753 385908467 /nfs/dbraw/zinc/90/84/67/385908467.db2.gz ZRWDBFCCARPHJV-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1[C@@H](C)[N@H+](C2CSC2)CC[C@@H]1[NH3+] ZINC000575565184 386060917 /nfs/dbraw/zinc/06/09/17/386060917.db2.gz GFUHQETXYAVSIY-XKSSXDPKSA-N 2 1 200.351 1.159 10 0 BDAEMP CC1(C)CC[N@H+]1C[C@H]1C[NH2+]CCS1 ZINC000575582227 386247864 /nfs/dbraw/zinc/24/78/64/386247864.db2.gz DAESIDARISYFRW-SECBINFHSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@H]1CSCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 ZINC000575485773 387246458 /nfs/dbraw/zinc/24/64/58/387246458.db2.gz QVIZDYWEJOLJDQ-GUBZILKMSA-N 2 1 200.351 1.161 10 0 BDAEMP [NH3+][C@H]1CC[N@@H+]([C@H]2CCCSCC2)C1 ZINC000575513255 387385768 /nfs/dbraw/zinc/38/57/68/387385768.db2.gz HMCOSQFOOUKMLN-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+][C@H]1CC[N@H+]([C@H]2CCCSCC2)C1 ZINC000575513255 387385771 /nfs/dbraw/zinc/38/57/71/387385771.db2.gz HMCOSQFOOUKMLN-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP CS[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000575545849 387631153 /nfs/dbraw/zinc/63/11/53/387631153.db2.gz QXNYRCCBVLDIKI-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000575545849 387631158 /nfs/dbraw/zinc/63/11/58/387631158.db2.gz QXNYRCCBVLDIKI-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP CC[C@@H]1C[N@@H+](C2CSC2)CCC[NH2+]1 ZINC000575548790 387646222 /nfs/dbraw/zinc/64/62/22/387646222.db2.gz HFFGDBQMFZTAFV-SECBINFHSA-N 2 1 200.351 1.176 10 0 BDAEMP CC[C@@H]1C[N@H+](C2CSC2)CCC[NH2+]1 ZINC000575548790 387646227 /nfs/dbraw/zinc/64/62/27/387646227.db2.gz HFFGDBQMFZTAFV-SECBINFHSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1(C)[NH3+] ZINC000575562176 387700965 /nfs/dbraw/zinc/70/09/65/387700965.db2.gz YYYPAMRIHZJRRD-AAEUAGOBSA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]1(C)[NH3+] ZINC000575562176 387700968 /nfs/dbraw/zinc/70/09/68/387700968.db2.gz YYYPAMRIHZJRRD-AAEUAGOBSA-N 2 1 204.317 1.998 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129111625 387764857 /nfs/dbraw/zinc/76/48/57/387764857.db2.gz PMHVNMUJBZTBTL-UONOGXRCSA-N 2 1 241.423 1.694 10 0 BDAEMP C[C@@H]([NH3+])[C@@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000169213163 387800586 /nfs/dbraw/zinc/80/05/86/387800586.db2.gz QWSAMBJYQKQNTE-KCJUWKMLSA-N 2 1 241.722 1.287 10 0 BDAEMP C[C@H]([NH2+]CCN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643459131 387832051 /nfs/dbraw/zinc/83/20/51/387832051.db2.gz BCVANIZKEUJYAX-UONOGXRCSA-N 2 1 239.407 1.450 10 0 BDAEMP C(C[NH2+][C@@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000423035446 387850479 /nfs/dbraw/zinc/85/04/79/387850479.db2.gz JMQOXNJUHGTQBC-NEPJUHHUSA-N 2 1 212.337 1.287 10 0 BDAEMP C[N@@H+]1C[C@@H]2C[NH+](CCOC(C)(C)C)C[C@@H]2C1 ZINC000193624218 387860100 /nfs/dbraw/zinc/86/01/00/387860100.db2.gz VZCFUPPZKJGETF-TXEJJXNPSA-N 2 1 226.364 1.295 10 0 BDAEMP C[NH+]1C[C@@H]2C[N@@H+](CCOC(C)(C)C)C[C@@H]2C1 ZINC000193624218 387860107 /nfs/dbraw/zinc/86/01/07/387860107.db2.gz VZCFUPPZKJGETF-TXEJJXNPSA-N 2 1 226.364 1.295 10 0 BDAEMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CCOCC3)[C@H]2C1 ZINC000245980118 387999424 /nfs/dbraw/zinc/99/94/24/387999424.db2.gz PFGGGBODGHDURF-KGLIPLIRSA-N 2 1 238.375 1.439 10 0 BDAEMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CCOCC3)[C@H]2C1 ZINC000245980118 387999427 /nfs/dbraw/zinc/99/94/27/387999427.db2.gz PFGGGBODGHDURF-KGLIPLIRSA-N 2 1 238.375 1.439 10 0 BDAEMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CCOCC3)[C@H]2C1 ZINC000245980118 387999431 /nfs/dbraw/zinc/99/94/31/387999431.db2.gz PFGGGBODGHDURF-KGLIPLIRSA-N 2 1 238.375 1.439 10 0 BDAEMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3CCOCC3)[C@H]2C1 ZINC000245980118 387999433 /nfs/dbraw/zinc/99/94/33/387999433.db2.gz PFGGGBODGHDURF-KGLIPLIRSA-N 2 1 238.375 1.439 10 0 BDAEMP COCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336661361 388102807 /nfs/dbraw/zinc/10/28/07/388102807.db2.gz CBUSRTOBUSMZQS-FIQHERPVSA-N 2 1 212.337 1.081 10 0 BDAEMP C[C@@]1(C(=[NH2+])NO)CC[N@@H+](Cc2ccccc2)C1 ZINC000575521187 388357169 /nfs/dbraw/zinc/35/71/69/388357169.db2.gz PQPVYYDZECLIQC-CYBMUJFWSA-N 2 1 233.315 1.855 10 0 BDAEMP Cc1nccnc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311187417 388493525 /nfs/dbraw/zinc/49/35/25/388493525.db2.gz CROFVYYNSLDLGD-SCDSUCTJSA-N 2 1 248.374 1.763 10 0 BDAEMP C[N@H+]([C@@H]1CCSC1)[C@H]1CCCC[NH2+]C1 ZINC000054135015 388593157 /nfs/dbraw/zinc/59/31/57/388593157.db2.gz AHQMHUGLLHHXGT-WDEREUQCSA-N 2 1 214.378 1.566 10 0 BDAEMP C[N@@H+]([C@@H]1CCSC1)[C@H]1CCCC[NH2+]C1 ZINC000054135015 388593160 /nfs/dbraw/zinc/59/31/60/388593160.db2.gz AHQMHUGLLHHXGT-WDEREUQCSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2CSC2)CC[C@H]1[NH3+] ZINC000575488492 388880382 /nfs/dbraw/zinc/88/03/82/388880382.db2.gz SMDQROCNKRCAIN-PSASIEDQSA-N 2 1 200.351 1.019 10 0 BDAEMP C([C@H]1CC[N@H+](C2CCC2)C1)N1CCOCC1 ZINC000179580092 134322272 /nfs/dbraw/zinc/32/22/72/134322272.db2.gz QKCHZJWJRJDTHH-GFCCVEGCSA-N 2 1 224.348 1.193 10 0 BDAEMP Cc1nccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000222228633 134330860 /nfs/dbraw/zinc/33/08/60/134330860.db2.gz DXWBJGJNMXZQAV-CMPLNLGQSA-N 2 1 234.347 1.357 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000251824877 135082472 /nfs/dbraw/zinc/08/24/72/135082472.db2.gz PDZDUOCVKGKLNC-HZSPNIEDSA-N 2 1 239.407 1.528 10 0 BDAEMP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000261581407 135110262 /nfs/dbraw/zinc/11/02/62/135110262.db2.gz NOKDPXUKKHIHEZ-NWDGAFQWSA-N 2 1 226.364 1.472 10 0 BDAEMP C[NH2+]CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000261527288 135151458 /nfs/dbraw/zinc/15/14/58/135151458.db2.gz MBQPCOKHSSAXPS-SNVBAGLBSA-N 2 1 220.307 1.963 10 0 BDAEMP C[NH2+]CC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000261527288 135151459 /nfs/dbraw/zinc/15/14/59/135151459.db2.gz MBQPCOKHSSAXPS-SNVBAGLBSA-N 2 1 220.307 1.963 10 0 BDAEMP CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000261536821 135173036 /nfs/dbraw/zinc/17/30/36/135173036.db2.gz TUZZSACGNHGNGW-RYUDHWBXSA-N 2 1 208.349 1.718 10 0 BDAEMP Cc1cc(N2CC[C@H]([NH3+])C(C)(C)C2)nc(C)[nH+]1 ZINC000261553280 135192773 /nfs/dbraw/zinc/19/27/73/135192773.db2.gz NSBFWONXRUXOHI-NSHDSACASA-N 2 1 234.347 1.657 10 0 BDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000263116731 135334279 /nfs/dbraw/zinc/33/42/79/135334279.db2.gz AQIRRTMXSYIUBV-PWSUYJOCSA-N 2 1 240.734 1.010 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO ZINC000268716920 135363761 /nfs/dbraw/zinc/36/37/61/135363761.db2.gz GYSGTOSEBIWUKE-UKRRQHHQSA-N 2 1 248.370 1.479 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO ZINC000268716920 135363763 /nfs/dbraw/zinc/36/37/63/135363763.db2.gz GYSGTOSEBIWUKE-UKRRQHHQSA-N 2 1 248.370 1.479 10 0 BDAEMP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000348185636 136044289 /nfs/dbraw/zinc/04/42/89/136044289.db2.gz BWICRPDCUDVSFF-TUAOUCFPSA-N 2 1 212.337 1.238 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@@]1(C[NH3+])CCCSC1 ZINC000575592331 397990902 /nfs/dbraw/zinc/99/09/02/397990902.db2.gz SYUVIKQVJRGTGP-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CCCSC1 ZINC000575592331 397990910 /nfs/dbraw/zinc/99/09/10/397990910.db2.gz SYUVIKQVJRGTGP-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP CCc1cc(N[C@H](CC[NH3+])C(F)F)nc(C)[nH+]1 ZINC000383456623 398020131 /nfs/dbraw/zinc/02/01/31/398020131.db2.gz NOEAEQFASJRCBX-SECBINFHSA-N 2 1 244.289 1.742 10 0 BDAEMP Cc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)nc(C)[nH+]1 ZINC000389728372 398130088 /nfs/dbraw/zinc/13/00/88/398130088.db2.gz NEPGBZHGALZVRF-GZMMTYOYSA-N 2 1 220.320 1.503 10 0 BDAEMP CC(C)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000306300621 487608345 /nfs/dbraw/zinc/60/83/45/487608345.db2.gz HQJFQLRRLRDYEF-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000306300621 487608349 /nfs/dbraw/zinc/60/83/49/487608349.db2.gz HQJFQLRRLRDYEF-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP C[N@@H+](CCO[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000662265479 409560541 /nfs/dbraw/zinc/56/05/41/409560541.db2.gz CADYXFSCVOETNJ-WDEREUQCSA-N 2 1 248.317 1.485 10 0 BDAEMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000665274082 410743639 /nfs/dbraw/zinc/74/36/39/410743639.db2.gz JKSPTKRLEWKOFV-IHRRRGAJSA-N 2 1 239.407 1.448 10 0 BDAEMP CCCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000665274082 410743640 /nfs/dbraw/zinc/74/36/40/410743640.db2.gz JKSPTKRLEWKOFV-IHRRRGAJSA-N 2 1 239.407 1.448 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCS[C@@H](C)C1 ZINC000309302480 410793349 /nfs/dbraw/zinc/79/33/49/410793349.db2.gz YVPQKEYJAHRNHJ-NWDGAFQWSA-N 2 1 246.420 1.125 10 0 BDAEMP C[N@@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616609561 411383389 /nfs/dbraw/zinc/38/33/89/411383389.db2.gz BTPZUMPCWNAUBM-SNVBAGLBSA-N 2 1 205.305 1.863 10 0 BDAEMP C[N@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616609561 411383393 /nfs/dbraw/zinc/38/33/93/411383393.db2.gz BTPZUMPCWNAUBM-SNVBAGLBSA-N 2 1 205.305 1.863 10 0 BDAEMP CC[N@H+]1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000011802508 170025676 /nfs/dbraw/zinc/02/56/76/170025676.db2.gz HHMKRRDOOPRYOB-ZDUSSCGKSA-N 2 1 204.317 1.955 10 0 BDAEMP CC[NH2+]C1CCN([C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000049216624 170110012 /nfs/dbraw/zinc/11/00/12/170110012.db2.gz YHHXGIXWRCSQRN-AWEZNQCLSA-N 2 1 239.407 1.545 10 0 BDAEMP CC[NH2+]CC(C)(C)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763375 170111058 /nfs/dbraw/zinc/11/10/58/170111058.db2.gz HAOTULPSYMRHKF-CYBMUJFWSA-N 2 1 242.407 1.859 10 0 BDAEMP CC[NH2+]CCCC[N@@H+](CCCOC)CCOC ZINC000052543178 170111631 /nfs/dbraw/zinc/11/16/31/170111631.db2.gz NYEDXSYYPFZKBK-UHFFFAOYSA-N 2 1 246.395 1.361 10 0 BDAEMP CC[NH2+]CCCCC[N@@H+](C)C1CCN(C)CC1 ZINC000052419893 170112050 /nfs/dbraw/zinc/11/20/50/170112050.db2.gz NEZWOKVGWPAPCS-UHFFFAOYSA-N 2 1 241.423 1.792 10 0 BDAEMP CC[NH2+]CCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419893 170112052 /nfs/dbraw/zinc/11/20/52/170112052.db2.gz NEZWOKVGWPAPCS-UHFFFAOYSA-N 3 1 241.423 1.792 10 0 BDAEMP CC[NH2+]CCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419893 170112054 /nfs/dbraw/zinc/11/20/54/170112054.db2.gz NEZWOKVGWPAPCS-UHFFFAOYSA-N 3 1 241.423 1.792 10 0 BDAEMP CC[NH2+]C[C@@H](C(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104131390 170118020 /nfs/dbraw/zinc/11/80/20/170118020.db2.gz NLEITTJMDUYTHF-ZDUSSCGKSA-N 2 1 241.423 1.647 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000053031032 170119959 /nfs/dbraw/zinc/11/99/59/170119959.db2.gz PHLABUXXOSTNRY-LBPRGKRZSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000053031032 170119960 /nfs/dbraw/zinc/11/99/60/170119960.db2.gz PHLABUXXOSTNRY-LBPRGKRZSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000095091545 170122379 /nfs/dbraw/zinc/12/23/79/170122379.db2.gz NDTHGBXTJCOSAV-CABCVRRESA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+]Cc1cc(-n2cc[nH+]c2C)ccn1 ZINC000051491048 170124841 /nfs/dbraw/zinc/12/48/41/170124841.db2.gz MMZMYTRWRITFKB-UHFFFAOYSA-N 2 1 216.288 1.685 10 0 BDAEMP CC[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000052379500 170126309 /nfs/dbraw/zinc/12/63/09/170126309.db2.gz VPROPRKMRPEVJL-UHFFFAOYSA-N 2 1 247.386 1.544 10 0 BDAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)CCOC ZINC000052572957 170128722 /nfs/dbraw/zinc/12/87/22/170128722.db2.gz VIVZLHUWENYMNF-UHFFFAOYSA-N 2 1 236.359 1.874 10 0 BDAEMP CC[NH2+]Cc1cn(CC[N@@H+](C)[C@@H](C)CC)nn1 ZINC000052444171 170129731 /nfs/dbraw/zinc/12/97/31/170129731.db2.gz BSBFNJAIEDCETJ-NSHDSACASA-N 2 1 239.367 1.118 10 0 BDAEMP CC[NH2+][C@H](C)[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104420291 170159309 /nfs/dbraw/zinc/15/93/09/170159309.db2.gz UMVHJIDKZMECFY-RQJABVFESA-N 2 1 240.391 1.610 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+]1CCCC[C@@H]1CO ZINC000053877171 170166878 /nfs/dbraw/zinc/16/68/78/170166878.db2.gz GZJUWNKFJJDCKU-MCIONIFRSA-N 2 1 240.391 1.611 10 0 BDAEMP CCOC1CC[NH+]([C@H](C)[C@@H](C)[NH3+])CC1 ZINC000041053897 170332192 /nfs/dbraw/zinc/33/21/92/170332192.db2.gz DDHAWXMFYUOUNI-NXEZZACHSA-N 2 1 200.326 1.223 10 0 BDAEMP CCOCCC[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053344545 170380869 /nfs/dbraw/zinc/38/08/69/170380869.db2.gz NPTAIGVYGMQYPP-ZIAGYGMSSA-N 2 1 242.407 1.981 10 0 BDAEMP CC[C@@H]1CCN([C@@H]2CCC[N@@H+](CC)C2)CC[NH2+]1 ZINC000049662454 171014790 /nfs/dbraw/zinc/01/47/90/171014790.db2.gz MIYZGYVZWQBPRU-ZIAGYGMSSA-N 2 1 239.407 1.545 10 0 BDAEMP CCc1[nH+]ccn1CC[NH2+]CCN(CC)CC ZINC000053541472 172025956 /nfs/dbraw/zinc/02/59/56/172025956.db2.gz INIRFUOVHGMHQS-UHFFFAOYSA-N 2 1 238.379 1.377 10 0 BDAEMP CCn1cc[nH+]c1N1CCC(C[NH3+])CC1 ZINC000050614394 172226288 /nfs/dbraw/zinc/22/62/88/172226288.db2.gz USRBKFXOLNLCSI-UHFFFAOYSA-N 2 1 208.309 1.078 10 0 BDAEMP CN(C)C(=O)CC[N@@H+](CCC[NH3+])C1CCCC1 ZINC000037897735 172357905 /nfs/dbraw/zinc/35/79/05/172357905.db2.gz SYHQLQCTANTAHX-UHFFFAOYSA-N 2 1 241.379 1.058 10 0 BDAEMP CN(c1ncc(C[NH3+])s1)[C@H]1CCC[N@@H+](C)C1 ZINC000054896325 173043590 /nfs/dbraw/zinc/04/35/90/173043590.db2.gz XQBYWFJPXOBQGX-VIFPVBQESA-N 2 1 240.376 1.132 10 0 BDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CC[NH3+])C1 ZINC000082342688 173086795 /nfs/dbraw/zinc/08/67/95/173086795.db2.gz NKHOOAGRABKSIR-CQSZACIVSA-N 2 1 233.359 1.151 10 0 BDAEMP CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC[NH3+] ZINC000082342745 173088106 /nfs/dbraw/zinc/08/81/06/173088106.db2.gz QAPSBGJETDAJBS-AWEZNQCLSA-N 2 1 233.359 1.151 10 0 BDAEMP C[N@H+]1CC[C@@H](CN2Cc3cccc(N)c3C2)C1 ZINC000037648103 173112147 /nfs/dbraw/zinc/11/21/47/173112147.db2.gz WCDPHBMOHBAIIR-LLVKDONJSA-N 2 1 231.343 1.536 10 0 BDAEMP C[N@H+]1CC[C@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000061990773 173163705 /nfs/dbraw/zinc/16/37/05/173163705.db2.gz PZKBHHSFSBOXNP-CQSZACIVSA-N 2 1 231.343 1.035 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@@H+](C)C1CC1 ZINC000062011477 173323756 /nfs/dbraw/zinc/32/37/56/173323756.db2.gz PJABJARRKAZLFQ-QXMXGUDHSA-N 2 1 237.391 1.295 10 0 BDAEMP C[NH2+]CC(C)(C)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000051253789 173336471 /nfs/dbraw/zinc/33/64/71/173336471.db2.gz UGJFMSOYHJSTTE-NSHDSACASA-N 2 1 228.380 1.731 10 0 BDAEMP C[NH2+]CC(C)(C)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000051253789 173336474 /nfs/dbraw/zinc/33/64/74/173336474.db2.gz UGJFMSOYHJSTTE-NSHDSACASA-N 2 1 228.380 1.731 10 0 BDAEMP C[NH2+]CC[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000061935502 173358204 /nfs/dbraw/zinc/35/82/04/173358204.db2.gz OJMKBYUAUNTPRQ-QWRGUYRKSA-N 2 1 200.326 1.095 10 0 BDAEMP C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935746 173361719 /nfs/dbraw/zinc/36/17/19/173361719.db2.gz XGSNOFZVSACXFX-RYUDHWBXSA-N 2 1 214.353 1.341 10 0 BDAEMP C[NH2+]C[C@@H](C(C)C)[N@H+]1CCCO[C@@H](C)C1 ZINC000061935746 173361721 /nfs/dbraw/zinc/36/17/21/173361721.db2.gz XGSNOFZVSACXFX-RYUDHWBXSA-N 2 1 214.353 1.341 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)o2)C1 ZINC000053038780 173370577 /nfs/dbraw/zinc/37/05/77/173370577.db2.gz YMZHHROTOHGOIP-NSHDSACASA-N 2 1 208.305 1.629 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000053038780 173370578 /nfs/dbraw/zinc/37/05/78/173370578.db2.gz YMZHHROTOHGOIP-NSHDSACASA-N 2 1 208.305 1.629 10 0 BDAEMP C[NH2+]C[C@@H]1CC[C@H](Cn2c[nH+]c(C)c2C)O1 ZINC000052593691 173371577 /nfs/dbraw/zinc/37/15/77/173371577.db2.gz HIQAXJUQAXXJAQ-NWDGAFQWSA-N 2 1 223.320 1.267 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@@H+](C)C[C@@H]2C[C@@H]2C)CCCOC1 ZINC000104408439 173373104 /nfs/dbraw/zinc/37/31/04/173373104.db2.gz LOKYEQMUJUATNM-MELADBBJSA-N 2 1 240.391 1.590 10 0 BDAEMP C[NH2+]C[C@H]1CCCN(CCn2ccnc2C)C1 ZINC000049331254 173379123 /nfs/dbraw/zinc/37/91/23/173379123.db2.gz NCOMARBTTCFPTQ-CYBMUJFWSA-N 3 1 236.363 1.123 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011891997 173382041 /nfs/dbraw/zinc/38/20/41/173382041.db2.gz RLHAAZKRZKXLJJ-CYBMUJFWSA-N 2 1 236.334 1.910 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCCSCC1 ZINC000052371027 173391509 /nfs/dbraw/zinc/39/15/09/173391509.db2.gz QKBSTGGCVVSMQI-UHFFFAOYSA-N 2 1 240.372 1.938 10 0 BDAEMP C[NH2+]Cc1cnc(N2CCC[N@@H+](C)CC2)s1 ZINC000054899089 173392418 /nfs/dbraw/zinc/39/24/18/173392418.db2.gz FPNMOINDYVHPKE-UHFFFAOYSA-N 2 1 240.376 1.004 10 0 BDAEMP C[NH2+]Cc1coc(Cn2c[nH+]c(C)c2C)c1 ZINC000052593611 173393903 /nfs/dbraw/zinc/39/39/03/173393903.db2.gz GSBXDZPJNJVIKX-UHFFFAOYSA-N 2 1 219.288 1.861 10 0 BDAEMP 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C[C@@H]1CCCC[N@H+]1Cc1cccnc1C[NH3+] ZINC000061656411 176074356 /nfs/dbraw/zinc/07/43/56/176074356.db2.gz FDOGCIBGKMIUKL-LLVKDONJSA-N 2 1 219.332 1.915 10 0 BDAEMP C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037910039 176108697 /nfs/dbraw/zinc/10/86/97/176108697.db2.gz NUHGJMUAYVZTQE-LLVKDONJSA-N 2 1 247.342 1.568 10 0 BDAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037910609 176110298 /nfs/dbraw/zinc/11/02/98/176110298.db2.gz QHXAJOPZXATHCZ-GRYCIOLGSA-N 2 1 240.347 1.094 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1C ZINC000104351608 176288525 /nfs/dbraw/zinc/28/85/25/176288525.db2.gz KLMODVVHPZWDDF-CYBMUJFWSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@@H]1CN(CCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000104351608 176288526 /nfs/dbraw/zinc/28/85/26/176288526.db2.gz KLMODVVHPZWDDF-CYBMUJFWSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@@H]1CN(CCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000104351608 176288528 /nfs/dbraw/zinc/28/85/28/176288528.db2.gz KLMODVVHPZWDDF-CYBMUJFWSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@@H]1CN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC[N@H+]1C ZINC000104125926 176316964 /nfs/dbraw/zinc/31/69/64/176316964.db2.gz SVXQEAXYGKQMHJ-DFBGVHRSSA-N 2 1 245.370 1.247 10 0 BDAEMP C[C@H]1CCCC[N@H+]1CCC[NH+]1CC[C@H](CO)C1 ZINC000049474384 177074753 /nfs/dbraw/zinc/07/47/53/177074753.db2.gz USNLPSRFNIQQTD-KBPBESRZSA-N 2 1 240.391 1.565 10 0 BDAEMP C[C@H]1CCCC[NH+]1CCC[N@@H+]1CC[C@H](CO)C1 ZINC000049474384 177074755 /nfs/dbraw/zinc/07/47/55/177074755.db2.gz USNLPSRFNIQQTD-KBPBESRZSA-N 2 1 240.391 1.565 10 0 BDAEMP C[C@H]1CCCC[NH+]1CCC[N@H+]1CC[C@H](CO)C1 ZINC000049474384 177074757 /nfs/dbraw/zinc/07/47/57/177074757.db2.gz USNLPSRFNIQQTD-KBPBESRZSA-N 2 1 240.391 1.565 10 0 BDAEMP C[C@H]1CC[N@H+](C2CCOCC2)CCC[NH2+]1 ZINC000049666366 177157075 /nfs/dbraw/zinc/15/70/75/177157075.db2.gz IGJNGTFSWGDKFP-NSHDSACASA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000049666477 177162682 /nfs/dbraw/zinc/16/26/82/177162682.db2.gz GVICWVDNKZFEIQ-QWHCGFSZSA-N 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/nfs/dbraw/zinc/37/05/81/177370581.db2.gz GHVQRJOPFQJKEL-RFGFWPKPSA-N 2 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NC[C@@H]1CC[N@H+](C)C1 ZINC000037646709 177370584 /nfs/dbraw/zinc/37/05/84/177370584.db2.gz GHVQRJOPFQJKEL-RFGFWPKPSA-N 2 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NC[C@@H]1CC[N@@H+](C)C1 ZINC000037646709 177370586 /nfs/dbraw/zinc/37/05/86/177370586.db2.gz GHVQRJOPFQJKEL-RFGFWPKPSA-N 2 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[NH+](C)C1 ZINC000037646709 177370588 /nfs/dbraw/zinc/37/05/88/177370588.db2.gz GHVQRJOPFQJKEL-RFGFWPKPSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[NH+](C)C1 ZINC000037646709 177370589 /nfs/dbraw/zinc/37/05/89/177370589.db2.gz GHVQRJOPFQJKEL-RFGFWPKPSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037646709 177370591 /nfs/dbraw/zinc/37/05/91/177370591.db2.gz GHVQRJOPFQJKEL-RFGFWPKPSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037646709 177370592 /nfs/dbraw/zinc/37/05/92/177370592.db2.gz GHVQRJOPFQJKEL-RFGFWPKPSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000400334364 225008367 /nfs/dbraw/zinc/00/83/67/225008367.db2.gz GYHMJWYROYAQAT-HZSPNIEDSA-N 3 1 239.407 1.306 10 0 BDAEMP C[C@H]([NH2+][C@H]1COc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400419590 225233818 /nfs/dbraw/zinc/23/38/18/225233818.db2.gz WKDJGCMSMSTCBX-GVXVVHGQSA-N 2 1 232.327 1.708 10 0 BDAEMP C[C@H]([NH2+]CCN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400591919 226347686 /nfs/dbraw/zinc/34/76/86/226347686.db2.gz UOOYVGNVOUEOQJ-QWHCGFSZSA-N 2 1 225.380 1.060 10 0 BDAEMP Cn1cncc1CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000314898620 487670221 /nfs/dbraw/zinc/67/02/21/487670221.db2.gz NCYHVXMNLDCDRG-YUTCNCBUSA-N 2 1 248.374 1.022 10 0 BDAEMP CC[C@H](COC)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396540504 262805425 /nfs/dbraw/zinc/80/54/25/262805425.db2.gz AIYOKZYJQVZLJU-MXWKQRLJSA-N 2 1 200.326 1.142 10 0 BDAEMP C[N@H+]1CCC[C@H]2C[NH+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289361 487709200 /nfs/dbraw/zinc/70/92/00/487709200.db2.gz SUSDEALAKFKBDK-IGQOVBAYSA-N 2 1 238.375 1.316 10 0 BDAEMP C[NH+]1CCC[C@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289361 487709204 /nfs/dbraw/zinc/70/92/04/487709204.db2.gz SUSDEALAKFKBDK-IGQOVBAYSA-N 2 1 238.375 1.316 10 0 BDAEMP C[NH+]1CCC[C@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289361 487709209 /nfs/dbraw/zinc/70/92/09/487709209.db2.gz SUSDEALAKFKBDK-IGQOVBAYSA-N 2 1 238.375 1.316 10 0 BDAEMP CC[N@@H+]1CCC[C@H](C[NH2+]C)[C@H]1c1cnn(C)c1 ZINC000250216209 324199977 /nfs/dbraw/zinc/19/99/77/324199977.db2.gz DFUPEVKUTOENMN-YPMHNXCESA-N 2 1 236.363 1.413 10 0 BDAEMP CC[N@H+]1CCC[C@H](C[NH2+]C)[C@H]1c1cnn(C)c1 ZINC000250216209 324199981 /nfs/dbraw/zinc/19/99/81/324199981.db2.gz DFUPEVKUTOENMN-YPMHNXCESA-N 2 1 236.363 1.413 10 0 BDAEMP COc1ccncc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566732299 326077577 /nfs/dbraw/zinc/07/75/77/326077577.db2.gz WWOPZIQZEOKJRI-NWDGAFQWSA-N 2 1 249.358 1.568 10 0 BDAEMP Cc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)nc(C)[nH+]1 ZINC000257752424 488088214 /nfs/dbraw/zinc/08/82/14/488088214.db2.gz VGFBBVMMQCWKHZ-CQSZACIVSA-N 2 1 246.358 1.673 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]12 ZINC000662266565 490042972 /nfs/dbraw/zinc/04/29/72/490042972.db2.gz NCDSOUXRSLDINL-GWOFURMSSA-N 2 1 246.301 1.080 10 0 BDAEMP Cc1cc(N[C@H](C)CCC[NH3+])nc(C)[nH+]1 ZINC000087362292 487646897 /nfs/dbraw/zinc/64/68/97/487646897.db2.gz JCHWWUPDVDSENT-MRVPVSSYSA-N 2 1 208.309 1.633 10 0 BDAEMP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309821487 491157362 /nfs/dbraw/zinc/15/73/62/491157362.db2.gz WKTJOANBSMHXQL-DGCLKSJQSA-N 2 1 226.364 1.221 10 0 BDAEMP COC[C@H](C)[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757126747 582501293 /nfs/dbraw/zinc/50/12/93/582501293.db2.gz 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583168792 /nfs/dbraw/zinc/16/87/92/583168792.db2.gz WZYZWMQZEGMFJQ-UHFFFAOYSA-N 2 1 238.375 1.221 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@H](c2ccc(C=O)s2)CN1 ZINC000757211647 586437118 /nfs/dbraw/zinc/43/71/18/586437118.db2.gz HZLOBHZNLCJRHN-IUCAKERBSA-N 2 1 224.329 1.355 10 0 BDAEMP C[C@@H]1C[C@H](c2ccc(C[NH3+])cc2)[NH2+]C[C@H]1[NH3+] ZINC000757206618 586437246 /nfs/dbraw/zinc/43/72/46/586437246.db2.gz AFUKMPHIORNNIF-OASPWFOLSA-N 3 1 219.332 1.143 10 0 BDAEMP CC(=O)c1ccc([C@@H]2[NH2+]CCC[C@H]2N)cc1 ZINC000757211006 586437403 /nfs/dbraw/zinc/43/74/03/586437403.db2.gz FFSUSPLQSQMTOG-OLZOCXBDSA-N 2 1 218.300 1.641 10 0 BDAEMP C[C@@H]1CC[NH2+][C@H](c2cccc(C[NH3+])c2)[C@@H]1N ZINC000757220253 586442434 /nfs/dbraw/zinc/44/24/34/586442434.db2.gz XPNMWCXEYJNJLV-OASPWFOLSA-N 2 1 219.332 1.143 10 0 BDAEMP Cc1ccc(N)cc1[C@H]1CC[C@H](C[NH3+])[NH2+]C1 ZINC000757229609 586443306 /nfs/dbraw/zinc/44/33/06/586443306.db2.gz FBHWSTKNSIIFRQ-CMPLNLGQSA-N 2 1 219.332 1.372 10 0 BDAEMP Cc1ccc(N)cc1[C@H]1CC[C@@H](C[NH3+])[NH2+]C1 ZINC000757229622 586443379 /nfs/dbraw/zinc/44/33/79/586443379.db2.gz FBHWSTKNSIIFRQ-JQWIXIFHSA-N 2 1 219.332 1.372 10 0 BDAEMP C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211937841 591277988 /nfs/dbraw/zinc/27/79/88/591277988.db2.gz OFHRJYUEWIQJPL-LBPRGKRZSA-N 2 1 246.354 1.553 10 0 BDAEMP C[C@H]1COCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211937841 591277989 /nfs/dbraw/zinc/27/79/89/591277989.db2.gz OFHRJYUEWIQJPL-LBPRGKRZSA-N 2 1 246.354 1.553 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094440520 631577880 /nfs/dbraw/zinc/57/78/80/631577880.db2.gz XIMSNBVORXDHLI-HZSPNIEDSA-N 2 1 237.391 1.012 10 0 BDAEMP C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000309402666 633017962 /nfs/dbraw/zinc/01/79/62/633017962.db2.gz JHBQYCSCXGZYJV-FRRDWIJNSA-N 2 1 226.364 1.221 10 0 BDAEMP CCc1nc(NCC2CC([NH3+])C2)cc(C)[nH+]1 ZINC000304276842 635938753 /nfs/dbraw/zinc/93/87/53/635938753.db2.gz DNZGLADMPYPVSQ-UHFFFAOYSA-N 2 1 220.320 1.497 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)CCC[NH2+]C1CC1 ZINC000092628048 634193169 /nfs/dbraw/zinc/19/31/69/634193169.db2.gz PLHHUIXZFSFJKO-CQSZACIVSA-N 2 1 239.407 1.545 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000685946274 644517951 /nfs/dbraw/zinc/51/79/51/644517951.db2.gz MYXOOSMZRQVCAB-RYUDHWBXSA-N 2 1 226.270 1.759 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCCO1 ZINC000250427764 644757960 /nfs/dbraw/zinc/75/79/60/644757960.db2.gz QIYPIIQYQCYPKW-GRYCIOLGSA-N 2 1 212.337 1.225 10 0 BDAEMP [NH3+]C[C@H]1C[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000725646824 711668576 /nfs/dbraw/zinc/66/85/76/711668576.db2.gz NNCDAHSKGBMFMS-ZKCHVHJHSA-N 2 1 211.696 1.306 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@@H]1C[NH3+] ZINC000714321643 712482049 /nfs/dbraw/zinc/48/20/49/712482049.db2.gz VQDHJQSIGJEILB-AGIUHOORSA-N 2 1 240.391 1.861 10 0 BDAEMP Cc1cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)nc(C)[nH+]1 ZINC000723893507 711544128 /nfs/dbraw/zinc/54/41/28/711544128.db2.gz ABHZTVHMUVHGQF-BXKDBHETSA-N 2 1 234.347 1.515 10 0 BDAEMP COc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)sn1 ZINC000708855499 711974298 /nfs/dbraw/zinc/97/42/98/711974298.db2.gz URXXKDOHXKBGJQ-IUCAKERBSA-N 2 1 241.360 1.178 10 0 BDAEMP COc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)sn1 ZINC000708855499 711974302 /nfs/dbraw/zinc/97/43/02/711974302.db2.gz URXXKDOHXKBGJQ-IUCAKERBSA-N 2 1 241.360 1.178 10 0 BDAEMP [NH3+]CC[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000705212564 712124241 /nfs/dbraw/zinc/12/42/41/712124241.db2.gz JBHSISQMZGPHIJ-SECBINFHSA-N 2 1 231.303 1.133 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@]12C[C@H]1CCCC2 ZINC000708865479 712201183 /nfs/dbraw/zinc/20/11/83/712201183.db2.gz IRBHYTUXAHLWNG-LOWDOPEQSA-N 2 1 208.349 1.907 10 0 BDAEMP CCc1nc(NC[C@@H]2CC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000379727984 712393150 /nfs/dbraw/zinc/39/31/50/712393150.db2.gz ZLVAZMMMQLAIAJ-MNOVXSKESA-N 2 1 234.347 1.309 10 0 BDAEMP CCc1nc(N(C)C[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000379780016 712398875 /nfs/dbraw/zinc/39/88/75/712398875.db2.gz KNGNGDYZNJGHBF-MRVPVSSYSA-N 2 1 208.309 1.131 10 0 BDAEMP CCC[N@@H+](C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037469623 712642555 /nfs/dbraw/zinc/64/25/55/712642555.db2.gz KDPQPLCFQOMGRH-CYBMUJFWSA-N 2 1 226.364 1.629 10 0 BDAEMP Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720606309 712857766 /nfs/dbraw/zinc/85/77/66/712857766.db2.gz MZWQFLQKQJIRDJ-ZANVPECISA-N 2 1 234.347 1.120 10 0 BDAEMP C[NH2+]CCN(c1cc(C)[nH+]c(C)n1)C(C)C ZINC000720800585 712866274 /nfs/dbraw/zinc/86/62/74/712866274.db2.gz RJCWPQKIPCHKNR-UHFFFAOYSA-N 2 1 222.336 1.528 10 0 BDAEMP C[C@@H](CC[NH3+])[NH+]=c1[nH]c2ccccc2n1C ZINC000336651003 398140150 /nfs/dbraw/zinc/14/01/50/398140150.db2.gz HTHSNZLIRFYFDL-VIFPVBQESA-N 2 1 218.304 1.144 10 0 BDAEMP COc1ccc(F)cc1[C@H]1C[NH2+]C[C@]1(C)[NH3+] ZINC000685965835 538912267 /nfs/dbraw/zinc/91/22/67/538912267.db2.gz VGLGFQHERKBIHX-PWSUYJOCSA-N 2 1 224.279 1.239 10 0 BDAEMP CC(C)[C@H](C)[N@H+](C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305484 343978230 /nfs/dbraw/zinc/97/82/30/343978230.db2.gz JJSZFWIZHBPKMX-GARJFASQSA-N 2 1 200.326 1.079 10 0 BDAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305484 343978233 /nfs/dbraw/zinc/97/82/33/343978233.db2.gz JJSZFWIZHBPKMX-GARJFASQSA-N 2 1 200.326 1.079 10 0 BDAEMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc(C)c1O ZINC000050245166 178000476 /nfs/dbraw/zinc/00/04/76/178000476.db2.gz PNZUWZZVIDITOB-LBPRGKRZSA-N 2 1 234.343 1.790 10 0 BDAEMP CCC(CC)C[N@H+](CC)CC[C@H]([NH2+]C)C(N)=O ZINC000062461605 168348401 /nfs/dbraw/zinc/34/84/01/168348401.db2.gz ZJHSOQNDVMPSED-LBPRGKRZSA-N 2 1 243.395 1.208 10 0 BDAEMP CCC(CC)C[N@@H+](CC)CC[C@H]([NH2+]C)C(N)=O ZINC000062461605 168348402 /nfs/dbraw/zinc/34/84/02/168348402.db2.gz ZJHSOQNDVMPSED-LBPRGKRZSA-N 2 1 243.395 1.208 10 0 BDAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCSCC2 ZINC000606283144 538929448 /nfs/dbraw/zinc/92/94/48/538929448.db2.gz VTGYVMGKESWHBC-SNVBAGLBSA-N 2 1 214.378 1.694 10 0 BDAEMP CCC(CC)[N@H+](C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305487 168369809 /nfs/dbraw/zinc/36/98/09/168369809.db2.gz CYWITRINUMBAKA-WDEREUQCSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC(CC)[N@@H+](C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305487 168369811 /nfs/dbraw/zinc/36/98/11/168369811.db2.gz CYWITRINUMBAKA-WDEREUQCSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC(CC)[N@H+](CCOC)C[C@H](C)[NH2+]C ZINC000044472544 168374379 /nfs/dbraw/zinc/37/43/79/168374379.db2.gz KCIAYPBJIAUTRK-NSHDSACASA-N 2 1 216.369 1.731 10 0 BDAEMP CCC(CC)[N@@H+](CCOC)C[C@H](C)[NH2+]C ZINC000044472544 168374380 /nfs/dbraw/zinc/37/43/80/168374380.db2.gz KCIAYPBJIAUTRK-NSHDSACASA-N 2 1 216.369 1.731 10 0 BDAEMP CCC(CC)NC(=O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557076 168377224 /nfs/dbraw/zinc/37/72/24/168377224.db2.gz LRQATFLVFGQDOL-LLVKDONJSA-N 2 1 243.395 1.221 10 0 BDAEMP CCC(CC)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455853 168383208 /nfs/dbraw/zinc/38/32/08/168383208.db2.gz QOPLCPZIXJUHSU-QWRGUYRKSA-N 2 1 243.395 1.206 10 0 BDAEMP CCC(CC)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455853 168383211 /nfs/dbraw/zinc/38/32/11/168383211.db2.gz QOPLCPZIXJUHSU-QWRGUYRKSA-N 2 1 243.395 1.206 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631838660 398285715 /nfs/dbraw/zinc/28/57/15/398285715.db2.gz SKNUIMHOZGJYME-YPMHNXCESA-N 2 1 234.343 1.722 10 0 BDAEMP CCC[C@H](C)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000379440573 538977812 /nfs/dbraw/zinc/97/78/12/538977812.db2.gz JSKJKCACMKTKDP-LBPRGKRZSA-N 2 1 228.380 1.469 10 0 BDAEMP Cc1c[nH+]ccc1NC[C@H](C)[NH+]1CCOCC1 ZINC000191978532 538993777 /nfs/dbraw/zinc/99/37/77/538993777.db2.gz KFQQLGXAKNKVOF-LBPRGKRZSA-N 2 1 235.331 1.523 10 0 BDAEMP CC[N@@H+]1C[C@H](Nc2cc[nH+]c(C)c2)[C@@H](C)C1 ZINC000381318011 538998194 /nfs/dbraw/zinc/99/81/94/538998194.db2.gz NUAMATFJSQPEQE-GWCFXTLKSA-N 2 1 219.332 1.564 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])cc1C ZINC000211542578 539022146 /nfs/dbraw/zinc/02/21/46/539022146.db2.gz GHVSKSGHKHMVCT-QWRGUYRKSA-N 2 1 206.289 1.018 10 0 BDAEMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000390775116 539027318 /nfs/dbraw/zinc/02/73/18/539027318.db2.gz ZTTOISWHTFYDKX-VXGBXAGGSA-N 2 1 219.332 1.976 10 0 BDAEMP C(C[N@H+]1CCCSCC1)[C@@H]1CCC[NH2+]1 ZINC000042444900 362000748 /nfs/dbraw/zinc/00/07/48/362000748.db2.gz OKXNHIXMGLUKDZ-NSHDSACASA-N 2 1 214.378 1.567 10 0 BDAEMP C[C@@H]1CCN(c2cc[nH+]c(N(C)C)n2)[C@H](C[NH3+])C1 ZINC000261551814 136272554 /nfs/dbraw/zinc/27/25/54/136272554.db2.gz YPECDVSJVVNXHR-MNOVXSKESA-N 2 1 249.362 1.106 10 0 BDAEMP Fc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1F ZINC000398381714 488216329 /nfs/dbraw/zinc/21/63/29/488216329.db2.gz UUNHMOAVVKQEPN-SECBINFHSA-N 2 1 226.270 1.664 10 0 BDAEMP CC(C)[N@@H+](CC(N)=O)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042428600 187265479 /nfs/dbraw/zinc/26/54/79/187265479.db2.gz GIAOHIQJFJLJAB-VXGBXAGGSA-N 2 1 241.379 1.090 10 0 BDAEMP CC(C)[N@@H+](CCO)Cc1ccc(C[NH3+])cc1F ZINC000042478550 187265550 /nfs/dbraw/zinc/26/55/50/187265550.db2.gz FLORRVZYJHDNHD-UHFFFAOYSA-N 2 1 240.322 1.487 10 0 BDAEMP C[NH2+][C@H](C[NH+]1CCC(OC)CC1)C(C)C ZINC000087528653 343653511 /nfs/dbraw/zinc/65/35/11/343653511.db2.gz FNADVSVTLWWSEG-GFCCVEGCSA-N 2 1 214.353 1.341 10 0 BDAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)[C@H](C)COC ZINC000052511942 187270908 /nfs/dbraw/zinc/27/09/08/187270908.db2.gz HEEHBZMOFRBSLZ-GFCCVEGCSA-N 2 1 236.359 1.873 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C[Si](C)(C)C ZINC000401837783 343733743 /nfs/dbraw/zinc/73/37/43/343733743.db2.gz FSRRWKNZONWOPL-UWVGGRQHSA-N 2 1 200.402 1.675 10 0 BDAEMP C[NH2+]Cc1ccc(N(C)[C@H]2CCC[N@@H+](C)C2)nc1 ZINC000053249084 187272172 /nfs/dbraw/zinc/27/21/72/187272172.db2.gz QEERCTSCJLBMMA-ZDUSSCGKSA-N 2 1 248.374 1.331 10 0 BDAEMP [NH3+]CCC[N@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409427989 343802479 /nfs/dbraw/zinc/80/24/79/343802479.db2.gz LNEXUDFHYZDEGV-VHSXEESVSA-N 2 1 218.291 1.702 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000044528011 343781497 /nfs/dbraw/zinc/78/14/97/343781497.db2.gz OXMDQHSBSBQRPV-LBPRGKRZSA-N 2 1 230.355 1.825 10 0 BDAEMP COC[C@]12C[N@@H+](CCC[NH3+])C[C@@H]1CCCC2 ZINC000409435569 343834339 /nfs/dbraw/zinc/83/43/39/343834339.db2.gz VLJFTZXUAKUAJC-STQMWFEESA-N 2 1 226.364 1.474 10 0 BDAEMP CCC[C@@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409436405 343839446 /nfs/dbraw/zinc/83/94/46/343839446.db2.gz ZPSDJSYCRWWVGS-YPMHNXCESA-N 2 1 226.364 1.221 10 0 BDAEMP C1CC[C@@H]2COCC[N@@H+](C3CC[NH2+]CC3)[C@@H]2C1 ZINC000409435864 343839835 /nfs/dbraw/zinc/83/98/35/343839835.db2.gz WZNDWOSRBJCHED-TZMCWYRMSA-N 2 1 238.375 1.629 10 0 BDAEMP C1CC[C@H]2[C@H](C1)COCC[N@H+]2C1CC[NH2+]CC1 ZINC000409435863 343839947 /nfs/dbraw/zinc/83/99/47/343839947.db2.gz WZNDWOSRBJCHED-OCCSQVGLSA-N 2 1 238.375 1.629 10 0 BDAEMP CCOC[C@@H]1C[N@@H+](CCC[NH3+])CC12CCC2 ZINC000409435872 343840009 /nfs/dbraw/zinc/84/00/09/343840009.db2.gz XAKOBKNJORRMEA-LBPRGKRZSA-N 2 1 226.364 1.474 10 0 BDAEMP CS[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000235259385 343884996 /nfs/dbraw/zinc/88/49/96/343884996.db2.gz RYSZVOXOMQIFJW-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000235259385 343884997 /nfs/dbraw/zinc/88/49/97/343884997.db2.gz RYSZVOXOMQIFJW-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[C@@H](N)C[N@@H+](C[Si](C)(C)C)C1 ZINC000401868962 343917177 /nfs/dbraw/zinc/91/71/77/343917177.db2.gz VBSWPIJILSGIHJ-VHSXEESVSA-N 2 1 200.402 1.533 10 0 BDAEMP CC[C@H](C[NH3+])[N@@H+]1CCSC(C)(C)C1 ZINC000135210311 343967496 /nfs/dbraw/zinc/96/74/96/343967496.db2.gz LTTHYEGSDDZDKJ-SECBINFHSA-N 2 1 202.367 1.551 10 0 BDAEMP CC[C@H](C[NH3+])[N@H+]1CCSC(C)(C)C1 ZINC000135210311 343967498 /nfs/dbraw/zinc/96/74/98/343967498.db2.gz LTTHYEGSDDZDKJ-SECBINFHSA-N 2 1 202.367 1.551 10 0 BDAEMP CCc1nc(N2C[C@H]([NH3+])C[C@H]2C)cc(C)[nH+]1 ZINC000384989265 344286206 /nfs/dbraw/zinc/28/62/06/344286206.db2.gz LVVVOSHHQHOYJV-NXEZZACHSA-N 2 1 220.320 1.273 10 0 BDAEMP CCSCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000133773578 344321447 /nfs/dbraw/zinc/32/14/47/344321447.db2.gz LNBGVGGYQGSZBM-ZJUUUORDSA-N 2 1 202.367 1.470 10 0 BDAEMP CC1(C)[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000084237366 344368048 /nfs/dbraw/zinc/36/80/48/344368048.db2.gz GUPZVIPUAXBIPV-GFCCVEGCSA-N 2 1 204.317 1.998 10 0 BDAEMP CC1(C)[C@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000084237366 344368050 /nfs/dbraw/zinc/36/80/50/344368050.db2.gz GUPZVIPUAXBIPV-GFCCVEGCSA-N 2 1 204.317 1.998 10 0 BDAEMP C1C[C@H]2[C@@H](C1)[N@H+]1CC[NH2+]C[C@H]3CCC[C@H]2[C@@H]31 ZINC000103277935 187291379 /nfs/dbraw/zinc/29/13/79/187291379.db2.gz QBXWFBUGZQGGDY-DHGKCCLASA-N 2 1 220.360 1.859 10 0 BDAEMP C(C[NH+]1CCCCC1)NC1=[NH+]CCCS1 ZINC000049575363 187294002 /nfs/dbraw/zinc/29/40/02/187294002.db2.gz DHHJRANQSALLSZ-UHFFFAOYSA-N 2 1 227.377 1.555 10 0 BDAEMP C[C@@H](c1ccco1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248081814 345035751 /nfs/dbraw/zinc/03/57/51/345035751.db2.gz QETGLPQNBRJOOA-QWRGUYRKSA-N 2 1 208.305 1.882 10 0 BDAEMP C[C@@H](c1ccco1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248081814 345035753 /nfs/dbraw/zinc/03/57/53/345035753.db2.gz QETGLPQNBRJOOA-QWRGUYRKSA-N 2 1 208.305 1.882 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000248253512 345092562 /nfs/dbraw/zinc/09/25/62/345092562.db2.gz NDTHGBXTJCOSAV-LSDHHAIUSA-N 2 1 248.370 1.479 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000134547302 345697812 /nfs/dbraw/zinc/69/78/12/345697812.db2.gz DMLMAZVKVZTTOO-FRRDWIJNSA-N 2 1 226.364 1.628 10 0 BDAEMP c1ccc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000216201951 345743325 /nfs/dbraw/zinc/74/33/25/345743325.db2.gz VPIGCJHBBZOWEQ-CYBMUJFWSA-N 2 1 216.328 1.670 10 0 BDAEMP [NH3+]C[C@@H]([NH3+])CC1=Cc2cc(F)ccc2CC1 ZINC000141157812 345859114 /nfs/dbraw/zinc/85/91/14/345859114.db2.gz GWGPBRXLJIREAL-ZDUSSCGKSA-N 2 1 220.291 1.831 10 0 BDAEMP CN(c1[nH+]cccc1NC1CC1)C1CC[NH2+]CC1 ZINC000034522601 345831099 /nfs/dbraw/zinc/83/10/99/345831099.db2.gz DERPDOPEXSNQOZ-UHFFFAOYSA-N 2 1 246.358 1.844 10 0 BDAEMP [NH3+]C[C@@H]([NH3+])C[C@@H]1CCc2ccccc2C1 ZINC000169191697 345839056 /nfs/dbraw/zinc/83/90/56/345839056.db2.gz OVTZQVVSWMGEDH-MFKMUULPSA-N 2 1 204.317 1.468 10 0 BDAEMP CC(C)[C@@](C)(O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310502329 187312680 /nfs/dbraw/zinc/31/26/80/187312680.db2.gz JOOYNJORTYYOJM-KBPBESRZSA-N 2 1 240.391 1.421 10 0 BDAEMP CC(C)[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310502329 187312682 /nfs/dbraw/zinc/31/26/82/187312682.db2.gz JOOYNJORTYYOJM-KBPBESRZSA-N 2 1 240.391 1.421 10 0 BDAEMP CC(C)[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000310502329 187312683 /nfs/dbraw/zinc/31/26/83/187312683.db2.gz JOOYNJORTYYOJM-KBPBESRZSA-N 2 1 240.391 1.421 10 0 BDAEMP C[C@@H](C[NH3+])[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000669377555 537964883 /nfs/dbraw/zinc/96/48/83/537964883.db2.gz TUWYQMGBNOMHNA-GXTWGEPZSA-N 2 1 234.343 1.218 10 0 BDAEMP Cc1ccccc1C[N@@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886497 179276375 /nfs/dbraw/zinc/27/63/75/179276375.db2.gz YFIHCRKVOMCHDF-AWEZNQCLSA-N 2 1 248.370 1.933 10 0 BDAEMP Cc1ccccc1C[N@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886497 179276376 /nfs/dbraw/zinc/27/63/76/179276376.db2.gz YFIHCRKVOMCHDF-AWEZNQCLSA-N 2 1 248.370 1.933 10 0 BDAEMP Nc1c2ccccc2[nH+]c2c1C[C@H]([NH3+])CC2 ZINC000669381618 537994682 /nfs/dbraw/zinc/99/46/82/537994682.db2.gz PNQDEZUWSJPLIC-MRVPVSSYSA-N 2 1 213.284 1.463 10 0 BDAEMP Cc1ccccc1[C@@H]([NH3+])CN1CC[N@@H+](C)[C@H](C)C1 ZINC000104125921 179324702 /nfs/dbraw/zinc/32/47/02/179324702.db2.gz CVNBANOWILHFHP-HIFRSBDPSA-N 2 1 247.386 1.631 10 0 BDAEMP CC[C@](C)([NH3+])C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222021231 349988306 /nfs/dbraw/zinc/98/83/06/349988306.db2.gz WVHZUMUUVYXTNU-DCAQKATOSA-N 2 1 216.394 1.940 10 0 BDAEMP CC[C@](C)([NH3+])C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222021231 349988307 /nfs/dbraw/zinc/98/83/07/349988307.db2.gz WVHZUMUUVYXTNU-DCAQKATOSA-N 2 1 216.394 1.940 10 0 BDAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000302409591 350087153 /nfs/dbraw/zinc/08/71/53/350087153.db2.gz PKHHFZFDCXZAAV-AAEUAGOBSA-N 2 1 240.391 1.467 10 0 BDAEMP [NH3+]C[C@H]1CCCC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000420189332 192172624 /nfs/dbraw/zinc/17/26/24/192172624.db2.gz DLQSMVQLVNXJLJ-MWLCHTKSSA-N 2 1 245.330 1.887 10 0 BDAEMP Cc1nc[nH]c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062079040 180121396 /nfs/dbraw/zinc/12/13/96/180121396.db2.gz HIZXECQYZSEXHG-LLVKDONJSA-N 2 1 236.363 1.540 10 0 BDAEMP Cc1[nH+]ccn1CCN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000104159226 180254530 /nfs/dbraw/zinc/25/45/30/180254530.db2.gz AVSFVSXBAUYPKX-DGCLKSJQSA-N 2 1 236.363 1.393 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354889 180272593 /nfs/dbraw/zinc/27/25/93/180272593.db2.gz NAOAGDGGCWLYKS-BXKDBHETSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]cn(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c1C ZINC000052593716 180287891 /nfs/dbraw/zinc/28/78/91/180287891.db2.gz WNRPJDANHOHDQU-KGLIPLIRSA-N 2 1 249.358 1.800 10 0 BDAEMP C[C@H]1C[N@H+](C2CCSCC2)CC[C@H]1[NH3+] ZINC000251864481 362971546 /nfs/dbraw/zinc/97/15/46/362971546.db2.gz STQBOCVSJPVVMW-GXSJLCMTSA-N 2 1 214.378 1.551 10 0 BDAEMP CC(C)[N@@H+]1CC[C@H](NC2=[NH+]CCS2)C1 ZINC000306678940 350833208 /nfs/dbraw/zinc/83/32/08/350833208.db2.gz ARHPBBCPNXETAX-VIFPVBQESA-N 2 1 213.350 1.162 10 0 BDAEMP CC(C)[N@H+]1CC[C@H](NC2=[NH+]CCS2)C1 ZINC000306678940 350833212 /nfs/dbraw/zinc/83/32/12/350833212.db2.gz ARHPBBCPNXETAX-VIFPVBQESA-N 2 1 213.350 1.162 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@H]1CC[C@H]1C[NH3+] ZINC000251847106 350904525 /nfs/dbraw/zinc/90/45/25/350904525.db2.gz RAJRFBCWWDRINF-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP CC(C)[C@H](C)[N@H+](C)[C@H]1COCC[C@H]1[NH3+] ZINC000252408712 350911433 /nfs/dbraw/zinc/91/14/33/350911433.db2.gz JJSZFWIZHBPKMX-AXFHLTTASA-N 2 1 200.326 1.079 10 0 BDAEMP CO[C@H](C)[C@H](C)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000252943370 350917266 /nfs/dbraw/zinc/91/72/66/350917266.db2.gz KMGBGAOPMDHDBA-LMLFDSFASA-N 2 1 200.326 1.079 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1cccc(Br)n1 ZINC000306821021 351127042 /nfs/dbraw/zinc/12/70/42/351127042.db2.gz NRHZPIXTLPCJNW-ZCFIWIBFSA-N 2 1 230.109 1.193 10 0 BDAEMP C[C@H]1C[C@H](NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000306830934 351145503 /nfs/dbraw/zinc/14/55/03/351145503.db2.gz LXXPHOVTEDRCFA-WCQYABFASA-N 2 1 246.358 1.523 10 0 BDAEMP C[C@@H]1CC[N@H+](CC2([NH3+])CC2)CCS1 ZINC000306851829 351175503 /nfs/dbraw/zinc/17/55/03/351175503.db2.gz REDQQEZBWOHASO-SECBINFHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CC[N@@H+](CC2([NH3+])CC2)CCS1 ZINC000306851829 351175506 /nfs/dbraw/zinc/17/55/06/351175506.db2.gz REDQQEZBWOHASO-SECBINFHSA-N 2 1 200.351 1.305 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000386584480 363017385 /nfs/dbraw/zinc/01/73/85/363017385.db2.gz IBSCDKZSCMHITK-RWMBFGLXSA-N 2 1 247.342 1.259 10 0 BDAEMP C[C@@H]1CCC[N@@H+](C2(C[NH3+])CSC2)[C@@H]1C ZINC000306903319 351317570 /nfs/dbraw/zinc/31/75/70/351317570.db2.gz ISTOJIOEHIWJOI-NXEZZACHSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1CCC[N@H+](C2(C[NH3+])CSC2)[C@@H]1C ZINC000306903319 351317573 /nfs/dbraw/zinc/31/75/73/351317573.db2.gz ISTOJIOEHIWJOI-NXEZZACHSA-N 2 1 214.378 1.551 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1c(F)ccc(F)c1F ZINC000306871779 351267345 /nfs/dbraw/zinc/26/73/45/351267345.db2.gz YGBWVVALKKGNSA-SSDOTTSWSA-N 2 1 204.195 1.453 10 0 BDAEMP C[C@@H]1CN(C(=[NH2+])NCc2ccccc2)CC[N@@H+]1C ZINC000306951540 351380117 /nfs/dbraw/zinc/38/01/17/351380117.db2.gz GPSYFEPSXTUBNJ-GFCCVEGCSA-N 2 1 246.358 1.347 10 0 BDAEMP C[C@@H]1CN(C(=[NH2+])NCc2ccccc2)CC[N@H+]1C ZINC000306951540 351380122 /nfs/dbraw/zinc/38/01/22/351380122.db2.gz GPSYFEPSXTUBNJ-GFCCVEGCSA-N 2 1 246.358 1.347 10 0 BDAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1C1CSC1 ZINC000307131046 351494944 /nfs/dbraw/zinc/49/49/44/351494944.db2.gz SPRPYGDTPGOQDZ-DTWKUNHWSA-N 2 1 200.351 1.161 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1c(F)cccc1Cl ZINC000307121078 351489733 /nfs/dbraw/zinc/48/97/33/351489733.db2.gz ITFWYDNPUQESRH-QMMMGPOBSA-N 2 1 202.660 1.828 10 0 BDAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCSC2)C[NH2+]1 ZINC000307190978 351592521 /nfs/dbraw/zinc/59/25/21/351592521.db2.gz AEGZRYVVCSJTFX-KXUCPTDWSA-N 2 1 200.351 1.222 10 0 BDAEMP CCCC[N@@H+](CCO)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725271086 538103204 /nfs/dbraw/zinc/10/32/04/538103204.db2.gz XCOHKWBKOZNRTM-MOKVOYLWSA-N 2 1 240.391 1.741 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1[C@@H]1CCCSC1 ZINC000307384545 352511845 /nfs/dbraw/zinc/51/18/45/352511845.db2.gz JBJRVOKKDAHCRY-GMTAPVOTSA-N 2 1 214.378 1.694 10 0 BDAEMP C[C@@H]1[C@H](N2CC([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000307395350 352569648 /nfs/dbraw/zinc/56/96/48/352569648.db2.gz NOZBBXBXWBRWNJ-IUODEOHRSA-N 2 1 245.370 1.292 10 0 BDAEMP CC1(O)CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000088023583 535196337 /nfs/dbraw/zinc/19/63/37/535196337.db2.gz VMRRCGPSOQOLMN-UHFFFAOYSA-N 2 1 226.364 1.319 10 0 BDAEMP C(C[N@@H+]1CCCOCC1)[C@H]1CCCC[NH2+]1 ZINC000061918648 188014151 /nfs/dbraw/zinc/01/41/51/188014151.db2.gz FKLWAHHGYUWSRI-GFCCVEGCSA-N 2 1 212.337 1.241 10 0 BDAEMP C(C[N@H+]1CCCOCC1)[C@H]1CCCC[NH2+]1 ZINC000061918648 188014153 /nfs/dbraw/zinc/01/41/53/188014153.db2.gz FKLWAHHGYUWSRI-GFCCVEGCSA-N 2 1 212.337 1.241 10 0 BDAEMP C[N@@H+]([C@@H]1CCSC1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223119038 353137559 /nfs/dbraw/zinc/13/75/59/353137559.db2.gz AWAMYEUJIJIUQA-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccn1 ZINC000630078591 363282866 /nfs/dbraw/zinc/28/28/66/363282866.db2.gz URQKTZNSQBBMPI-GWCFXTLKSA-N 2 1 219.332 1.417 10 0 BDAEMP [NH2+]=C(NC1CCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000052048329 181199052 /nfs/dbraw/zinc/19/90/52/181199052.db2.gz FZZPYSQIABAKDP-NSHDSACASA-N 2 1 236.363 1.280 10 0 BDAEMP C[N@@H+]1C[C@H]2CN(C/C=C\Cl)C[C@H]2C1 ZINC000308431000 355578048 /nfs/dbraw/zinc/57/80/48/355578048.db2.gz TVIXOVYFPSBSAY-CSGBJPQYSA-N 2 1 200.713 1.232 10 0 BDAEMP [NH3+][C@H]1C=C(CCC(F)(F)Cl)C[NH2+]C1 ZINC000675078738 538516870 /nfs/dbraw/zinc/51/68/70/538516870.db2.gz RWUAZKAQDNVYKN-ZETCQYMHSA-N 2 1 210.655 1.455 10 0 BDAEMP N[C@@H]1C=C(c2ccc(Cl)s2)C[NH2+]C1 ZINC000675079404 538517859 /nfs/dbraw/zinc/51/78/59/538517859.db2.gz YIRSLBFIUOSNRE-SSDOTTSWSA-N 2 1 214.721 1.715 10 0 BDAEMP C[C@@]1(O)CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000230379318 357532446 /nfs/dbraw/zinc/53/24/46/357532446.db2.gz UFNIUXWFBLWGQR-CQSZACIVSA-N 2 1 240.391 1.709 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]CC[C@H]1c1cccc2occc21 ZINC000685946566 538885663 /nfs/dbraw/zinc/88/56/63/538885663.db2.gz AWAJEHKMCVOQDG-CMPLNLGQSA-N 2 1 216.284 1.837 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000685946341 538887995 /nfs/dbraw/zinc/88/79/95/538887995.db2.gz PQIGHBNGZSEQAQ-WDEREUQCSA-N 2 1 212.243 1.369 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000685947056 538888703 /nfs/dbraw/zinc/88/87/03/538888703.db2.gz ZSAIEFIAYQBLSM-OLZOCXBDSA-N 2 1 204.317 1.789 10 0 BDAEMP C[C@H](C[C@H](C)[NH3+])Nc1[nH+]cnc2[nH]ccc21 ZINC000584781803 358177113 /nfs/dbraw/zinc/17/71/13/358177113.db2.gz QWHFQMRGALLIRN-JGVFFNPUSA-N 2 1 219.292 1.496 10 0 BDAEMP CC[N@H+]1CC[C@@](C[NH3+])(c2ccccc2)C1 ZINC000584634017 358317322 /nfs/dbraw/zinc/31/73/22/358317322.db2.gz YEDZOISMUGLCHF-ZDUSSCGKSA-N 2 1 204.317 1.609 10 0 BDAEMP C[C@@H](C[NH3+])[N@@H+]1CCSC(C)(C)CC1 ZINC000231036836 358518266 /nfs/dbraw/zinc/51/82/66/358518266.db2.gz STEDWVOZIYYRNE-VIFPVBQESA-N 2 1 202.367 1.551 10 0 BDAEMP C[C@@H](C[NH3+])[N@H+]1CCSC(C)(C)CC1 ZINC000231036836 358518269 /nfs/dbraw/zinc/51/82/69/358518269.db2.gz STEDWVOZIYYRNE-VIFPVBQESA-N 2 1 202.367 1.551 10 0 BDAEMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000051990799 358769547 /nfs/dbraw/zinc/76/95/47/358769547.db2.gz BFZWPHAMTOLSRV-QWHCGFSZSA-N 2 1 226.364 1.364 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403460 358967945 /nfs/dbraw/zinc/96/79/45/358967945.db2.gz FTRAGLXJAYIQHV-XQQFMLRXSA-N 2 1 225.380 1.330 10 0 BDAEMP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403460 358967948 /nfs/dbraw/zinc/96/79/48/358967948.db2.gz FTRAGLXJAYIQHV-XQQFMLRXSA-N 2 1 225.380 1.330 10 0 BDAEMP C[C@@H]1CSCC[N@@H+]1[C@@H](CN)C1CC1 ZINC000069760802 360408023 /nfs/dbraw/zinc/40/80/23/360408023.db2.gz ZWMUOWDNLSFFBD-SCZZXKLOSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@@H](CN)C1CC1 ZINC000069760802 360408025 /nfs/dbraw/zinc/40/80/25/360408025.db2.gz ZWMUOWDNLSFFBD-SCZZXKLOSA-N 2 1 200.351 1.161 10 0 BDAEMP CSC1CC[NH+](C2(C[NH3+])CCC2)CC1 ZINC000300792905 360503925 /nfs/dbraw/zinc/50/39/25/360503925.db2.gz DHIUGCYNSKSVPD-UHFFFAOYSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cncs1 ZINC000306616719 361171687 /nfs/dbraw/zinc/17/16/87/361171687.db2.gz PEKJRHLNKRTIQB-WCBMZHEXSA-N 2 1 211.334 1.231 10 0 BDAEMP CC(C)[C@@](C)(C[NH3+])[NH+]1CCSCC1 ZINC000041053588 361210005 /nfs/dbraw/zinc/21/00/05/361210005.db2.gz WEPCCWVYIQPDOG-SNVBAGLBSA-N 2 1 202.367 1.409 10 0 BDAEMP C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309821486 491157238 /nfs/dbraw/zinc/15/72/38/491157238.db2.gz WKTJOANBSMHXQL-AAEUAGOBSA-N 2 1 226.364 1.221 10 0 BDAEMP [NH3+]C1[C@@H]2C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000047845142 181346789 /nfs/dbraw/zinc/34/67/89/181346789.db2.gz PZBJODSAGVQRDZ-FUNVUKJBSA-N 2 1 202.301 1.466 10 0 BDAEMP CO[C@H]1C[N@H+](CCCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356823 364077308 /nfs/dbraw/zinc/07/73/08/364077308.db2.gz BASGBNWXVAHBDQ-OLZOCXBDSA-N 2 1 244.379 1.240 10 0 BDAEMP CO[C@H]1C[N@@H+](CCCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356823 364077313 /nfs/dbraw/zinc/07/73/13/364077313.db2.gz BASGBNWXVAHBDQ-OLZOCXBDSA-N 2 1 244.379 1.240 10 0 BDAEMP CCC(CC)C[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630369128 364086597 /nfs/dbraw/zinc/08/65/97/364086597.db2.gz VJNYUKXOETZUMO-OLZOCXBDSA-N 2 1 228.380 1.861 10 0 BDAEMP CO[C@H]1C[N@@H+](CCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630369878 364087337 /nfs/dbraw/zinc/08/73/37/364087337.db2.gz XGHBHAXXZSOAJS-OLZOCXBDSA-N 2 1 226.364 1.615 10 0 BDAEMP CCc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630552336 364246946 /nfs/dbraw/zinc/24/69/46/364246946.db2.gz CYAIBYQSEDVVPQ-KOLCDFICSA-N 2 1 234.347 1.378 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCCSCC2)CCCC1 ZINC000051284197 181359618 /nfs/dbraw/zinc/35/96/18/181359618.db2.gz DHAMFXAIOFMGFW-UHFFFAOYSA-N 2 1 228.405 1.944 10 0 BDAEMP CC[N@@H+](C[C@H]1CCCO1)CC1(C)CC[NH2+]CC1 ZINC000062841806 169898024 /nfs/dbraw/zinc/89/80/24/169898024.db2.gz VKNSXXFTYHZTFB-CYBMUJFWSA-N 2 1 240.391 1.877 10 0 BDAEMP C[N@@H+](C1CCC1)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000252979260 368176981 /nfs/dbraw/zinc/17/69/81/368176981.db2.gz HATBHBIKZPYZQK-VXGBXAGGSA-N 2 1 240.347 1.094 10 0 BDAEMP CC[C@](C)([NH3+])C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000253082045 368474267 /nfs/dbraw/zinc/47/42/67/368474267.db2.gz WVHZUMUUVYXTNU-VWYCJHECSA-N 2 1 216.394 1.940 10 0 BDAEMP CC[C@](C)([NH3+])C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000253082045 368474272 /nfs/dbraw/zinc/47/42/72/368474272.db2.gz WVHZUMUUVYXTNU-VWYCJHECSA-N 2 1 216.394 1.940 10 0 BDAEMP CC[C@@H]1CS[C@]2(CC[NH2+]C[C@H]2C)[NH2+]1 ZINC000253309903 368921752 /nfs/dbraw/zinc/92/17/52/368921752.db2.gz TWKRMKQMJBOARZ-BBBLOLIVSA-N 2 1 200.351 1.427 10 0 BDAEMP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000226451292 371670867 /nfs/dbraw/zinc/67/08/67/371670867.db2.gz VCKQNVPDZPWMJJ-CYBMUJFWSA-N 2 1 249.358 1.664 10 0 BDAEMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000226451292 371670876 /nfs/dbraw/zinc/67/08/76/371670876.db2.gz VCKQNVPDZPWMJJ-CYBMUJFWSA-N 2 1 249.358 1.664 10 0 BDAEMP CSCC[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C ZINC000131553511 371623337 /nfs/dbraw/zinc/62/33/37/371623337.db2.gz VPTVSECZTVZNEK-UWVGGRQHSA-N 2 1 202.367 1.422 10 0 BDAEMP COC[C@H](C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000163446916 371995589 /nfs/dbraw/zinc/99/55/89/371995589.db2.gz QGHWMRIHVWXVMR-WCQYABFASA-N 2 1 222.332 1.386 10 0 BDAEMP CC[C@H]([NH3+])C[N@@H+]1CCSC(C)(C)C1 ZINC000133348361 372027981 /nfs/dbraw/zinc/02/79/81/372027981.db2.gz YGGFCAWDIODKQA-VIFPVBQESA-N 2 1 202.367 1.551 10 0 BDAEMP CC[C@H]([NH3+])C[N@H+]1CCSC(C)(C)C1 ZINC000133348361 372027989 /nfs/dbraw/zinc/02/79/89/372027989.db2.gz YGGFCAWDIODKQA-VIFPVBQESA-N 2 1 202.367 1.551 10 0 BDAEMP CC[N@H+](Cc1ccccc1)C[C@H](O)CC[NH3+] ZINC000071524685 169915322 /nfs/dbraw/zinc/91/53/22/169915322.db2.gz DBKNYRIECPNSKL-CYBMUJFWSA-N 2 1 222.332 1.218 10 0 BDAEMP CO[C@H](C)[C@H](C)[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC000229408157 372149879 /nfs/dbraw/zinc/14/98/79/372149879.db2.gz KMGBGAOPMDHDBA-UKKRHICBSA-N 2 1 200.326 1.079 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631836720 372624993 /nfs/dbraw/zinc/62/49/93/372624993.db2.gz FTKHCKMVVAAXRH-FRRDWIJNSA-N 2 1 226.364 1.472 10 0 BDAEMP Cc1csc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838781 372633148 /nfs/dbraw/zinc/63/31/48/372633148.db2.gz VAMZMQNJDFPUCD-WPRPVWTQSA-N 2 1 225.361 1.478 10 0 BDAEMP Cc1csc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838781 372633156 /nfs/dbraw/zinc/63/31/56/372633156.db2.gz VAMZMQNJDFPUCD-WPRPVWTQSA-N 2 1 225.361 1.478 10 0 BDAEMP Cc1noc(C)c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842644 372641042 /nfs/dbraw/zinc/64/10/42/372641042.db2.gz CZNASGPBJWVEIJ-KWQFWETISA-N 2 1 223.320 1.318 10 0 BDAEMP CCCCOCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842238 372641547 /nfs/dbraw/zinc/64/15/47/372641547.db2.gz XKSLLMTXYADUND-NEPJUHHUSA-N 2 1 214.353 1.330 10 0 BDAEMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000177244877 206007085 /nfs/dbraw/zinc/00/70/85/206007085.db2.gz KNORBRWBRRFRHH-AAEUAGOBSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H](CC[NH3+])Nc1[nH+]cnc2[nH]ccc21 ZINC000420230417 206024399 /nfs/dbraw/zinc/02/43/99/206024399.db2.gz XMRBVCUULYUOKL-ZETCQYMHSA-N 2 1 205.265 1.107 10 0 BDAEMP OCCC[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000052762385 183065150 /nfs/dbraw/zinc/06/51/50/183065150.db2.gz NKJYLFXYMWPOEB-CQSZACIVSA-N 2 1 240.391 1.709 10 0 BDAEMP CCC[N@@H+]([C@H]1CCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000037690834 169091222 /nfs/dbraw/zinc/09/12/22/169091222.db2.gz VUKUOEUJVSPLEC-STQMWFEESA-N 2 1 226.364 1.364 10 0 BDAEMP CCC[N@@H+](CCO)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023217 169166135 /nfs/dbraw/zinc/16/61/35/169166135.db2.gz GWEHLLOPIYXWGK-ZDUSSCGKSA-N 2 1 249.358 1.758 10 0 BDAEMP CCC[N@@H+](Cc1cccnc1C(N)=[NH2+])C1CC1 ZINC000061657934 169178468 /nfs/dbraw/zinc/17/84/68/169178468.db2.gz PDVWRXLUOJZONK-UHFFFAOYSA-N 2 1 232.331 1.740 10 0 BDAEMP c1cc(CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000037904657 183338050 /nfs/dbraw/zinc/33/80/50/183338050.db2.gz PGWHVAUJPYLEEI-CQSZACIVSA-N 2 1 245.370 1.698 10 0 BDAEMP c1cc(N2CCCC2)nc(NC2CC[NH2+]CC2)[nH+]1 ZINC000045948338 183356320 /nfs/dbraw/zinc/35/63/20/183356320.db2.gz XACRJLKBZRXNOR-UHFFFAOYSA-N 2 1 247.346 1.241 10 0 BDAEMP CCC[NH2+]CC[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419955 169260957 /nfs/dbraw/zinc/26/09/57/169260957.db2.gz QKIHXFHDFULWBV-ZDUSSCGKSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+]CC[C@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419955 169260959 /nfs/dbraw/zinc/26/09/59/169260959.db2.gz QKIHXFHDFULWBV-ZDUSSCGKSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+][C@H](C)CN1CC[N@@H+](C)[C@H](CC)C1 ZINC000082478001 169286084 /nfs/dbraw/zinc/28/60/84/169286084.db2.gz BUNBGMVQOCTYCO-CHWSQXEVSA-N 2 1 227.396 1.401 10 0 BDAEMP CCC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1CC(C)(C)O ZINC000104407833 169287508 /nfs/dbraw/zinc/28/75/08/169287508.db2.gz PNEKZLJGUHRLJJ-CHWSQXEVSA-N 2 1 242.407 2.000 10 0 BDAEMP CCC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1CC(C)(C)O ZINC000104407833 169287509 /nfs/dbraw/zinc/28/75/09/169287509.db2.gz PNEKZLJGUHRLJJ-CHWSQXEVSA-N 2 1 242.407 2.000 10 0 BDAEMP CCC[NH2+]Cc1cc(C[N@H+](C)CCOC)on1 ZINC000052572838 169265997 /nfs/dbraw/zinc/26/59/97/169265997.db2.gz GXCOSKSJCIFNPX-UHFFFAOYSA-N 2 1 241.335 1.252 10 0 BDAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)CCOC)on1 ZINC000052572838 169265998 /nfs/dbraw/zinc/26/59/98/169265998.db2.gz GXCOSKSJCIFNPX-UHFFFAOYSA-N 2 1 241.335 1.252 10 0 BDAEMP CCC[NH2+][C@H]1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000049711413 169291433 /nfs/dbraw/zinc/29/14/33/169291433.db2.gz OLCYMYXCSWMMLW-JSGCOSHPSA-N 2 1 240.391 1.875 10 0 BDAEMP CCC[NH2+][C@H]1CCOC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926621 169291456 /nfs/dbraw/zinc/29/14/56/169291456.db2.gz FBNGDGURXUQTOG-STQMWFEESA-N 2 1 237.347 1.830 10 0 BDAEMP CCC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000049694012 169291908 /nfs/dbraw/zinc/29/19/08/169291908.db2.gz FLHHNUFXGIIPSE-IHRRRGAJSA-N 2 1 240.391 1.875 10 0 BDAEMP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](C)CCO ZINC000053869790 169292594 /nfs/dbraw/zinc/29/25/94/169292594.db2.gz SXHVGSBSQLQDLN-MCIONIFRSA-N 2 1 242.407 1.715 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301001602 383827216 /nfs/dbraw/zinc/82/72/16/383827216.db2.gz VWWAIKKXJCJTEG-UWVGGRQHSA-N 2 1 218.291 1.845 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301001602 383827221 /nfs/dbraw/zinc/82/72/21/383827221.db2.gz VWWAIKKXJCJTEG-UWVGGRQHSA-N 2 1 218.291 1.845 10 0 BDAEMP C[C@H]([C@@H]1CCCO1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309394624 383933898 /nfs/dbraw/zinc/93/38/98/383933898.db2.gz IGBZZQUKPCOATQ-FVCCEPFGSA-N 2 1 226.364 1.471 10 0 BDAEMP Cn1c2ccccc2[nH+]c1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000335576306 384337609 /nfs/dbraw/zinc/33/76/09/384337609.db2.gz BDVLRICBUCDOGZ-WDEREUQCSA-N 2 1 244.342 1.535 10 0 BDAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000095072282 384343817 /nfs/dbraw/zinc/34/38/17/384343817.db2.gz ZQDINQSIVZDTEE-NEPJUHHUSA-N 2 1 205.305 1.441 10 0 BDAEMP CN(C)C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095074245 384350452 /nfs/dbraw/zinc/35/04/52/384350452.db2.gz RHNZVCBQHIJIPJ-GJZGRUSLSA-N 2 1 248.370 1.431 10 0 BDAEMP C[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095074245 384350458 /nfs/dbraw/zinc/35/04/58/384350458.db2.gz RHNZVCBQHIJIPJ-GJZGRUSLSA-N 2 1 248.370 1.431 10 0 BDAEMP C[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095074245 384350466 /nfs/dbraw/zinc/35/04/66/384350466.db2.gz RHNZVCBQHIJIPJ-GJZGRUSLSA-N 2 1 248.370 1.431 10 0 BDAEMP [NH3+]C[C@@H]1C[C@@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000095828943 384400389 /nfs/dbraw/zinc/40/03/89/384400389.db2.gz SWGYRTDBCKJJOX-WDEREUQCSA-N 2 1 241.338 1.873 10 0 BDAEMP [NH3+]C[C@@H]1C[C@@H]2Cc3c4ccccc4[nH]c3C[N@H+]2C1 ZINC000095828943 384400393 /nfs/dbraw/zinc/40/03/93/384400393.db2.gz SWGYRTDBCKJJOX-WDEREUQCSA-N 2 1 241.338 1.873 10 0 BDAEMP [NH3+]C[C@H]1CCCC[N@@H+]1[C@@H]1CCSC1 ZINC000044540004 384784572 /nfs/dbraw/zinc/78/45/72/384784572.db2.gz ZAGFSBOLXLAJOV-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]C[C@H]1CCCC[N@H+]1[C@@H]1CCSC1 ZINC000044540004 384784580 /nfs/dbraw/zinc/78/45/80/384784580.db2.gz ZAGFSBOLXLAJOV-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@@H]1CCSC1)C2 ZINC000376470376 384872521 /nfs/dbraw/zinc/87/25/21/384872521.db2.gz CBAVOUXWDFHGBB-WDEREUQCSA-N 2 1 237.372 1.541 10 0 BDAEMP [NH3+]Cc1ccc2c(c1)C[N@@H+](C1CC1)CCO2 ZINC000409423562 385331438 /nfs/dbraw/zinc/33/14/38/385331438.db2.gz SSBHBXKCNITFLE-UHFFFAOYSA-N 2 1 218.300 1.502 10 0 BDAEMP COCC[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371896740 385391755 /nfs/dbraw/zinc/39/17/55/385391755.db2.gz ADXVWWUEEQOZBF-QWRGUYRKSA-N 2 1 223.320 1.213 10 0 BDAEMP Cc1ccc(O)c(CN(C)C[C@H]2CC[N@@H+](C)C2)n1 ZINC000156017876 385428010 /nfs/dbraw/zinc/42/80/10/385428010.db2.gz SHYQWUOTDLSMSP-LBPRGKRZSA-N 2 1 249.358 1.479 10 0 BDAEMP C[C@@H]1C[NH2+]CC[N@H+]([C@@H]2CCSC2)C1 ZINC000258093461 385537332 /nfs/dbraw/zinc/53/73/32/385537332.db2.gz KJGDTWZLCFUXGF-NXEZZACHSA-N 2 1 200.351 1.033 10 0 BDAEMP CCc1nc(N2CCC(C)([NH3+])CC2)cc(C)[nH+]1 ZINC000643029398 385523693 /nfs/dbraw/zinc/52/36/93/385523693.db2.gz SXMWKOCPZZWKTG-UHFFFAOYSA-N 2 1 234.347 1.665 10 0 BDAEMP COC[C@@H]1CCCC[N@H+](CC[NH2+]C(C)C)C1 ZINC000309635209 385757727 /nfs/dbraw/zinc/75/77/27/385757727.db2.gz JCRXZLRVIYQIAH-CYBMUJFWSA-N 2 1 228.380 1.733 10 0 BDAEMP COC[C@@H]1CCCC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000309635209 385757732 /nfs/dbraw/zinc/75/77/32/385757732.db2.gz JCRXZLRVIYQIAH-CYBMUJFWSA-N 2 1 228.380 1.733 10 0 BDAEMP c1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c[nH]1 ZINC000309650908 385770390 /nfs/dbraw/zinc/77/03/90/385770390.db2.gz XUZAFMMRWRKKQZ-LLVKDONJSA-N 2 1 216.288 1.316 10 0 BDAEMP CCc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC000311019125 385943176 /nfs/dbraw/zinc/94/31/76/385943176.db2.gz NRQNGPMXYOOQGO-QMTHXVAHSA-N 2 1 248.374 1.769 10 0 BDAEMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CC1(C)C ZINC000414080609 385952219 /nfs/dbraw/zinc/95/22/19/385952219.db2.gz DIFMPAMXTYLJIL-TUAOUCFPSA-N 2 1 228.380 1.323 10 0 BDAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000336770769 386027572 /nfs/dbraw/zinc/02/75/72/386027572.db2.gz WYSGYFZTOPMMJR-NJMOYASZSA-N 2 1 208.349 1.857 10 0 BDAEMP C[C@H]1CC[N@@H+]1C1(C[NH3+])CCSCC1 ZINC000575591137 386329314 /nfs/dbraw/zinc/32/93/14/386329314.db2.gz MBUMJGJCHSQYKR-VIFPVBQESA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1CC[N@H+]1C1(C[NH3+])CCSCC1 ZINC000575591137 386329315 /nfs/dbraw/zinc/32/93/15/386329315.db2.gz MBUMJGJCHSQYKR-VIFPVBQESA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@H+](Cc1ccccc1)[C@H]1CCNC[C@H]1F ZINC000575458649 387028570 /nfs/dbraw/zinc/02/85/70/387028570.db2.gz KMNKVEKMMUFWDN-OLZOCXBDSA-N 2 1 222.307 1.818 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@@]1(C[NH3+])CSC[C@@H]1C ZINC000575592976 387221537 /nfs/dbraw/zinc/22/15/37/387221537.db2.gz ZLKKSUPHWCQMDX-AEJSXWLSSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CSC[C@@H]1C ZINC000575592976 387221543 /nfs/dbraw/zinc/22/15/43/387221543.db2.gz ZLKKSUPHWCQMDX-AEJSXWLSSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000575601546 387359896 /nfs/dbraw/zinc/35/98/96/387359896.db2.gz HKRGHGVKRMLJMQ-YNEHKIRRSA-N 2 1 225.380 1.330 10 0 BDAEMP CCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000575601546 387359900 /nfs/dbraw/zinc/35/99/00/387359900.db2.gz HKRGHGVKRMLJMQ-YNEHKIRRSA-N 2 1 225.380 1.330 10 0 BDAEMP [NH3+]C1CC(C[N@H+]2CCC=C(Br)C2)C1 ZINC000575497172 387325869 /nfs/dbraw/zinc/32/58/69/387325869.db2.gz FATUMCOIPWYBPY-UHFFFAOYSA-N 2 1 245.164 1.708 10 0 BDAEMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCCSCC2)C1 ZINC000575513256 387385481 /nfs/dbraw/zinc/38/54/81/387385481.db2.gz HMCOSQFOOUKMLN-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+][C@H]1CC[N@H+]([C@@H]2CCCSCC2)C1 ZINC000575513256 387385487 /nfs/dbraw/zinc/38/54/87/387385487.db2.gz HMCOSQFOOUKMLN-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](C2CSC2)C[C@@H]1C ZINC000575565091 387723916 /nfs/dbraw/zinc/72/39/16/387723916.db2.gz CLGLAHHNBGDJPS-WCBMZHEXSA-N 2 1 200.351 1.032 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](C2CSC2)C[C@@H]1C ZINC000575565091 387723921 /nfs/dbraw/zinc/72/39/21/387723921.db2.gz CLGLAHHNBGDJPS-WCBMZHEXSA-N 2 1 200.351 1.032 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000422830298 387723932 /nfs/dbraw/zinc/72/39/32/387723932.db2.gz CKPPNIUNXSKTIJ-REWJHTLYSA-N 3 1 239.407 1.447 10 0 BDAEMP C[C@@H]([NH3+])[C@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000169213314 387801113 /nfs/dbraw/zinc/80/11/13/387801113.db2.gz QWSAMBJYQKQNTE-LDYMZIIASA-N 2 1 241.722 1.287 10 0 BDAEMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]C1 ZINC000086724683 388107357 /nfs/dbraw/zinc/10/73/57/388107357.db2.gz DUSAGAPADCQHOE-QWHCGFSZSA-N 2 1 225.380 1.202 10 0 BDAEMP C(C[NH2+][C@H]1CC[NH2+]C1)COC1CCCCC1 ZINC000086725638 388108122 /nfs/dbraw/zinc/10/81/22/388108122.db2.gz BYCHADGMHGYOJL-LBPRGKRZSA-N 2 1 226.364 1.677 10 0 BDAEMP CC[C@H](O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328654127 388740187 /nfs/dbraw/zinc/74/01/87/388740187.db2.gz XFYROQFEOWUEDF-NEPJUHHUSA-N 2 1 237.347 1.148 10 0 BDAEMP CC[C@H](O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328654127 388740189 /nfs/dbraw/zinc/74/01/89/388740189.db2.gz XFYROQFEOWUEDF-NEPJUHHUSA-N 2 1 237.347 1.148 10 0 BDAEMP CCCCOCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000229341127 388787979 /nfs/dbraw/zinc/78/79/79/388787979.db2.gz JQNKTUVCANSVCL-LLVKDONJSA-N 2 1 200.326 1.145 10 0 BDAEMP C[C@@H](O)C1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000575471089 388845633 /nfs/dbraw/zinc/84/56/33/388845633.db2.gz XLRRAOCCSFEXDP-GFCCVEGCSA-N 2 1 234.343 1.361 10 0 BDAEMP [NH3+][C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000575471502 388850524 /nfs/dbraw/zinc/85/05/24/388850524.db2.gz AJNRCPPSJUFWFV-GJZGRUSLSA-N 2 1 246.354 1.769 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CSC1 ZINC000575487119 388874586 /nfs/dbraw/zinc/87/45/86/388874586.db2.gz KZISQSMGLYVLNU-PSASIEDQSA-N 2 1 200.351 1.161 10 0 BDAEMP CC1C[NH+]([C@@]2(C[NH3+])CSC[C@H]2C)C1 ZINC000575494715 388954068 /nfs/dbraw/zinc/95/40/68/388954068.db2.gz XMDRXUNRRZMKGX-ZJUUUORDSA-N 2 1 200.351 1.019 10 0 BDAEMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000250865839 533370350 /nfs/dbraw/zinc/37/03/50/533370350.db2.gz RGSLMZHXXZBMPB-ZIAGYGMSSA-N 2 1 238.375 1.629 10 0 BDAEMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000250865839 533370355 /nfs/dbraw/zinc/37/03/55/533370355.db2.gz RGSLMZHXXZBMPB-ZIAGYGMSSA-N 2 1 238.375 1.629 10 0 BDAEMP C[C@@H]([NH2+]CCN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400591417 533394641 /nfs/dbraw/zinc/39/46/41/533394641.db2.gz UOOYVGNVOUEOQJ-CHWSQXEVSA-N 2 1 225.380 1.060 10 0 BDAEMP CCc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000250505932 132231924 /nfs/dbraw/zinc/23/19/24/132231924.db2.gz IUGBDBBHGYPWPW-ZWNOBZJWSA-N 2 1 248.374 1.911 10 0 BDAEMP CC(C)(C[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000049835991 132358347 /nfs/dbraw/zinc/35/83/47/132358347.db2.gz NJEAROMWPMQWNV-UHFFFAOYSA-N 2 1 247.386 1.794 10 0 BDAEMP Cc1cccc(N2C[C@@H](C[NH3+])CC[C@@H]2C)[nH+]1 ZINC000053704613 132363243 /nfs/dbraw/zinc/36/32/43/132363243.db2.gz HZIQURIANINRQJ-NWDGAFQWSA-N 2 1 219.332 1.954 10 0 BDAEMP C[C@@H](O)C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248745824 135020200 /nfs/dbraw/zinc/02/02/00/135020200.db2.gz BBDPXRVRUBSBJY-DUJLVANISA-N 2 1 240.391 1.608 10 0 BDAEMP C[C@@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248745827 135020251 /nfs/dbraw/zinc/02/02/51/135020251.db2.gz BBDPXRVRUBSBJY-PJIALRRASA-N 2 1 240.391 1.608 10 0 BDAEMP [NH3+]C1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000086725283 135095093 /nfs/dbraw/zinc/09/50/93/135095093.db2.gz QKXVRIYTXCHMBG-UHFFFAOYSA-N 2 1 225.380 1.332 10 0 BDAEMP CC1(C)C[N@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000261545646 135150498 /nfs/dbraw/zinc/15/04/98/135150498.db2.gz GFCDMIYVJQSPOT-ZDUSSCGKSA-N 2 1 234.343 1.951 10 0 BDAEMP CC1(C)C[N@@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000261545646 135150499 /nfs/dbraw/zinc/15/04/99/135150499.db2.gz GFCDMIYVJQSPOT-ZDUSSCGKSA-N 2 1 234.343 1.951 10 0 BDAEMP Cc1cc[nH+]c(N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261575444 135216559 /nfs/dbraw/zinc/21/65/59/135216559.db2.gz JTAKLSIXANFKLK-NSHDSACASA-N 2 1 219.332 1.954 10 0 BDAEMP CN(C)c1nc(N2CC[C@H]([NH3+])C(C)(C)C2)cc[nH+]1 ZINC000261576804 135218818 /nfs/dbraw/zinc/21/88/18/135218818.db2.gz OAOHQTNCQCUYHX-JTQLQIEISA-N 2 1 249.362 1.106 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000262130926 135280769 /nfs/dbraw/zinc/28/07/69/135280769.db2.gz NXNUOOUGURFFEH-ZWNOBZJWSA-N 2 1 246.310 1.103 10 0 BDAEMP CC1(C)C[N@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000262190555 135284376 /nfs/dbraw/zinc/28/43/76/135284376.db2.gz YPRJVOUEYAEHQS-SECBINFHSA-N 2 1 236.306 1.327 10 0 BDAEMP CC1(C)C[N@@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000262190555 135284377 /nfs/dbraw/zinc/28/43/77/135284377.db2.gz YPRJVOUEYAEHQS-SECBINFHSA-N 2 1 236.306 1.327 10 0 BDAEMP NC[C@@]1([N@@H+]2CCCSCC2)CCSC1 ZINC000042443626 398015754 /nfs/dbraw/zinc/01/57/54/398015754.db2.gz BMSYWRYTUPEQBQ-JTQLQIEISA-N 2 1 232.418 1.260 10 0 BDAEMP NC[C@@]1([N@H+]2CCCSCC2)CCSC1 ZINC000042443626 398015757 /nfs/dbraw/zinc/01/57/57/398015757.db2.gz BMSYWRYTUPEQBQ-JTQLQIEISA-N 2 1 232.418 1.260 10 0 BDAEMP [NH3+]C[C@@]1([N@@H+]2CCCSCC2)CCSC1 ZINC000042443626 398015758 /nfs/dbraw/zinc/01/57/58/398015758.db2.gz BMSYWRYTUPEQBQ-JTQLQIEISA-N 2 1 232.418 1.260 10 0 BDAEMP [NH3+]C[C@@]1([N@H+]2CCCSCC2)CCSC1 ZINC000042443626 398015761 /nfs/dbraw/zinc/01/57/61/398015761.db2.gz BMSYWRYTUPEQBQ-JTQLQIEISA-N 2 1 232.418 1.260 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cscn1)C2 ZINC000275481925 487560046 /nfs/dbraw/zinc/56/00/46/487560046.db2.gz IMGWUEHYVBRAES-JTQLQIEISA-N 2 1 248.355 1.692 10 0 BDAEMP CO[C@@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266533 409566997 /nfs/dbraw/zinc/56/69/97/409566997.db2.gz IDGPJHNQIJZBLF-KGLIPLIRSA-N 2 1 240.391 1.875 10 0 BDAEMP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)C2CC2)O1 ZINC000052445582 167008457 /nfs/dbraw/zinc/00/84/57/167008457.db2.gz VEUPOYYPVVJXHX-ZIAGYGMSSA-N 2 1 240.391 1.874 10 0 BDAEMP CC(C)C[NH2+]C[C@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000053031645 167008416 /nfs/dbraw/zinc/00/84/16/167008416.db2.gz DPDNNBSOIIQCAC-ZIAGYGMSSA-N 2 1 239.407 1.258 10 0 BDAEMP CC(C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061652443 167101976 /nfs/dbraw/zinc/10/19/76/167101976.db2.gz LWBNTXDLRUISOS-CQSZACIVSA-N 2 1 241.423 1.791 10 0 BDAEMP CC(C)[NH2+]CCN1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000309648514 167105117 /nfs/dbraw/zinc/10/51/17/167105117.db2.gz WVQZCECUSKYITG-QWHCGFSZSA-N 2 1 225.380 1.010 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CCCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000063137003 167110769 /nfs/dbraw/zinc/11/07/69/167110769.db2.gz PSUYXCOOATUWAP-UONOGXRCSA-N 2 1 239.407 1.401 10 0 BDAEMP CC(C)OCC[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC000062568767 167235823 /nfs/dbraw/zinc/23/58/23/167235823.db2.gz VXNADVNRGKLKFV-NSHDSACASA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)OCC[N@H+]1CC[NH2+]CC[C@@H]1C ZINC000062568767 167235824 /nfs/dbraw/zinc/23/58/24/167235824.db2.gz VXNADVNRGKLKFV-NSHDSACASA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)[C@@H](C)[N@@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658002 167369470 /nfs/dbraw/zinc/36/94/70/167369470.db2.gz RUGGHDULEJHYMW-SNVBAGLBSA-N 2 1 234.347 1.842 10 0 BDAEMP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310529299 411240890 /nfs/dbraw/zinc/24/08/90/411240890.db2.gz PMPMTZOGJQEVEJ-CABNGKKXSA-N 2 1 231.343 1.812 10 0 BDAEMP CCO[C@@H]1CN(c2cccc(C)[nH+]2)C[C@H]1C[NH3+] ZINC000405544826 411434406 /nfs/dbraw/zinc/43/44/06/411434406.db2.gz VJJDYXKXVYCNPN-VXGBXAGGSA-N 2 1 235.331 1.190 10 0 BDAEMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCC[C@H]1O ZINC000659950154 411508195 /nfs/dbraw/zinc/50/81/95/411508195.db2.gz XWVNPJVVMMRLTK-JHJVBQTASA-N 2 1 226.364 1.173 10 0 BDAEMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCC[C@H]1O ZINC000659950154 411508197 /nfs/dbraw/zinc/50/81/97/411508197.db2.gz XWVNPJVVMMRLTK-JHJVBQTASA-N 2 1 226.364 1.173 10 0 BDAEMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[C@H]1O ZINC000659950154 411508199 /nfs/dbraw/zinc/50/81/99/411508199.db2.gz XWVNPJVVMMRLTK-JHJVBQTASA-N 2 1 226.364 1.173 10 0 BDAEMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[C@H]1O ZINC000659950154 411508202 /nfs/dbraw/zinc/50/82/02/411508202.db2.gz XWVNPJVVMMRLTK-JHJVBQTASA-N 2 1 226.364 1.173 10 0 BDAEMP CC[N@H+]1CC[C@@H](CN2CC[NH2+][C@@H](C)CC2)C1 ZINC000049662197 170006868 /nfs/dbraw/zinc/00/68/68/170006868.db2.gz RTHBCGGDEOJVPL-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[N@H+]1CCc2nc([C@@H](C)C[NH3+])sc2C1 ZINC000054158357 170024987 /nfs/dbraw/zinc/02/49/87/170024987.db2.gz FWKZXXYWKMTXEE-QMMMGPOBSA-N 2 1 225.361 1.583 10 0 BDAEMP CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037757981 170086347 /nfs/dbraw/zinc/08/63/47/170086347.db2.gz OVYDHXUTDFILGO-LLVKDONJSA-N 2 1 249.358 1.102 10 0 BDAEMP CC[NH2+]CC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063124134 170116723 /nfs/dbraw/zinc/11/67/23/170116723.db2.gz GBPHZGHZPCTZOS-CYBMUJFWSA-N 2 1 241.423 1.648 10 0 BDAEMP CC[NH2+]C[C@@H]1CCCCN1c1[nH+]ccn1C ZINC000053698424 170119900 /nfs/dbraw/zinc/11/99/00/170119900.db2.gz SSEWQCPPPPTIEB-NSHDSACASA-N 2 1 222.336 1.389 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000053031285 170122668 /nfs/dbraw/zinc/12/26/68/170122668.db2.gz CFBJVFNBPHUQQR-LLVKDONJSA-N 2 1 212.337 1.097 10 0 BDAEMP CC[NH2+][C@@H](C)C[N@H+](C)C1CCOCC1 ZINC000043898424 170139230 /nfs/dbraw/zinc/13/92/30/170139230.db2.gz ONBFTJDWXZDVRX-JTQLQIEISA-N 2 1 200.326 1.095 10 0 BDAEMP CC[NH2+][C@@H](C)C[N@@H+](C)C1CCOCC1 ZINC000043898424 170139232 /nfs/dbraw/zinc/13/92/32/170139232.db2.gz ONBFTJDWXZDVRX-JTQLQIEISA-N 2 1 200.326 1.095 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818335 170151293 /nfs/dbraw/zinc/15/12/93/170151293.db2.gz HLTLZXRCLWOTFQ-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](CCc2ccccn2)C[C@@H]1C ZINC000049712379 170151786 /nfs/dbraw/zinc/15/17/86/170151786.db2.gz PWQBIBVSFBQMMU-DZGCQCFKSA-N 2 1 247.386 1.944 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccccn2)C[C@@H]1C ZINC000049712379 170151787 /nfs/dbraw/zinc/15/17/87/170151787.db2.gz PWQBIBVSFBQMMU-DZGCQCFKSA-N 2 1 247.386 1.944 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCOC(C)(C)C1 ZINC000053868242 170166987 /nfs/dbraw/zinc/16/69/87/170166987.db2.gz WPHGTBHOSBYXEQ-STQMWFEESA-N 2 1 240.391 1.875 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCOC(C)(C)C1 ZINC000053868242 170166988 /nfs/dbraw/zinc/16/69/88/170166988.db2.gz WPHGTBHOSBYXEQ-STQMWFEESA-N 2 1 240.391 1.875 10 0 BDAEMP CC[NH2+][C@H]1CCN([C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000049216648 170168309 /nfs/dbraw/zinc/16/83/09/170168309.db2.gz VQBVOBCOPLDWCD-QWHCGFSZSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](CC)CCO ZINC000053869611 170168473 /nfs/dbraw/zinc/16/84/73/170168473.db2.gz RUKKHNHUGFUSGS-MCIONIFRSA-N 2 1 242.407 1.715 10 0 BDAEMP Cn1c2ccccc2[nH+]c1NCCOCCC[NH3+] ZINC000630537054 411833672 /nfs/dbraw/zinc/83/36/72/411833672.db2.gz ITBULNXVKVTOCY-UHFFFAOYSA-N 2 1 248.330 1.351 10 0 BDAEMP CC[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000042824607 171012753 /nfs/dbraw/zinc/01/27/53/171012753.db2.gz JRWKLLMMFDALJW-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000042824607 171012755 /nfs/dbraw/zinc/01/27/55/171012755.db2.gz JRWKLLMMFDALJW-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CC[NH2+]1 ZINC000061148131 171012898 /nfs/dbraw/zinc/01/28/98/171012898.db2.gz LLMXAOLKIZQPRA-NWDGAFQWSA-N 2 1 212.337 1.097 10 0 BDAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2CCCOCC2)C1 ZINC000061934657 171055612 /nfs/dbraw/zinc/05/56/12/171055612.db2.gz JPONOIHHCWUBKT-RDBSUJKOSA-N 2 1 240.391 1.862 10 0 BDAEMP CC[C@@H]1C[N@@H+](CC2CCC([NH3+])CC2)CCO1 ZINC000037482481 171079769 /nfs/dbraw/zinc/07/97/69/171079769.db2.gz ZCYJLKRVASPLHC-WXRRBKDZSA-N 2 1 226.364 1.615 10 0 BDAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C1CC[NH2+]CC1 ZINC000042450890 171111623 /nfs/dbraw/zinc/11/16/23/171111623.db2.gz LIDTYMGIEVDQHH-GHMZBOCLSA-N 2 1 212.337 1.238 10 0 BDAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1C1CC[NH2+]CC1 ZINC000042450890 171111626 /nfs/dbraw/zinc/11/16/26/171111626.db2.gz LIDTYMGIEVDQHH-GHMZBOCLSA-N 2 1 212.337 1.238 10 0 BDAEMP CC[C@H](C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000368424380 171287903 /nfs/dbraw/zinc/28/79/03/171287903.db2.gz JMWWVXFPBKFFFN-QWRGUYRKSA-N 2 1 207.321 1.834 10 0 BDAEMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000665235928 412176660 /nfs/dbraw/zinc/17/66/60/412176660.db2.gz CMOGXXISCYLDOZ-OLZOCXBDSA-N 2 1 239.407 1.591 10 0 BDAEMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CCC(C)CC2)CCO1 ZINC000132653521 412180008 /nfs/dbraw/zinc/18/00/08/412180008.db2.gz NOYHKIKFNFSKHF-FKZOYECMSA-N 2 1 240.391 1.861 10 0 BDAEMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CCC(C)CC2)CCO1 ZINC000132653521 412180011 /nfs/dbraw/zinc/18/00/11/412180011.db2.gz NOYHKIKFNFSKHF-FKZOYECMSA-N 2 1 240.391 1.861 10 0 BDAEMP CCn1cc[nH+]c1NC[C@H]1CCCC[N@H+]1C ZINC000050614277 172228363 /nfs/dbraw/zinc/22/83/63/172228363.db2.gz DOPQAABXTYZFBC-LLVKDONJSA-N 2 1 222.336 1.799 10 0 BDAEMP CCn1cc[nH+]c1NC[C@@H]1CCCC[N@H+]1C ZINC000050614276 172228521 /nfs/dbraw/zinc/22/85/21/172228521.db2.gz DOPQAABXTYZFBC-NSHDSACASA-N 2 1 222.336 1.799 10 0 BDAEMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H](CN)C(C)(C)C ZINC000063119943 172984777 /nfs/dbraw/zinc/98/47/77/172984777.db2.gz CDWCSYIDYIEYPA-CYBMUJFWSA-N 2 1 241.423 1.633 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CNc1cc(N)cc[nH+]1 ZINC000044563509 173005004 /nfs/dbraw/zinc/00/50/04/173005004.db2.gz ROJQRRWBUWKPJW-LLVKDONJSA-N 2 1 220.320 1.560 10 0 BDAEMP C[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062569210 173019113 /nfs/dbraw/zinc/01/91/13/173019113.db2.gz NCXCSRLTYBSEOD-ZDUSSCGKSA-N 2 1 204.317 1.523 10 0 BDAEMP C[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062569210 173019116 /nfs/dbraw/zinc/01/91/16/173019116.db2.gz NCXCSRLTYBSEOD-ZDUSSCGKSA-N 2 1 204.317 1.523 10 0 BDAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CCCO ZINC000305660232 173027118 /nfs/dbraw/zinc/02/71/18/173027118.db2.gz XTJQPJFJUIRLEF-ZIAGYGMSSA-N 2 1 240.391 1.708 10 0 BDAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000305660232 173027119 /nfs/dbraw/zinc/02/71/19/173027119.db2.gz XTJQPJFJUIRLEF-ZIAGYGMSSA-N 2 1 240.391 1.708 10 0 BDAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CCCO ZINC000305660232 173027120 /nfs/dbraw/zinc/02/71/20/173027120.db2.gz XTJQPJFJUIRLEF-ZIAGYGMSSA-N 2 1 240.391 1.708 10 0 BDAEMP C[N@H+]1CCC[C@H]1CCOC1CC[NH2+]CC1 ZINC000040240613 173052864 /nfs/dbraw/zinc/05/28/64/173052864.db2.gz DUUDWIPPCSGUPX-NSHDSACASA-N 2 1 212.337 1.239 10 0 BDAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccccc1 ZINC000071187993 173111501 /nfs/dbraw/zinc/11/15/01/173111501.db2.gz AEPAITGNTNYIBA-HIFRSBDPSA-N 2 1 247.386 1.570 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484653 173118026 /nfs/dbraw/zinc/11/80/26/173118026.db2.gz ZTRKECGWLCFGGM-LBPRGKRZSA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+](C[C@H](O)c1ccccc1)C[C@H]1CC[NH+](C)C1 ZINC000071190237 173142376 /nfs/dbraw/zinc/14/23/76/173142376.db2.gz GSMUOOFCEJQIFU-ZFWWWQNUSA-N 2 1 248.370 1.604 10 0 BDAEMP C[N@@H+](C[C@H](O)c1ccccc1)C[C@H]1CC[NH+](C)C1 ZINC000071190237 173142378 /nfs/dbraw/zinc/14/23/78/173142378.db2.gz GSMUOOFCEJQIFU-ZFWWWQNUSA-N 2 1 248.370 1.604 10 0 BDAEMP C[NH+](C[C@H](O)c1ccccc1)C[C@H]1CC[N@H+](C)C1 ZINC000071190237 173142380 /nfs/dbraw/zinc/14/23/80/173142380.db2.gz GSMUOOFCEJQIFU-ZFWWWQNUSA-N 2 1 248.370 1.604 10 0 BDAEMP C[NH+](C[C@H](O)c1ccccc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190237 173142381 /nfs/dbraw/zinc/14/23/81/173142381.db2.gz GSMUOOFCEJQIFU-ZFWWWQNUSA-N 2 1 248.370 1.604 10 0 BDAEMP C[NH2+]C1CC[NH+](CCc2ccco2)CC1 ZINC000042590232 173322643 /nfs/dbraw/zinc/32/26/43/173322643.db2.gz LSUANTUHZAVCDQ-UHFFFAOYSA-N 2 1 208.305 1.506 10 0 BDAEMP C[NH2+]C1CC[NH+](CCc2ccsc2)CC1 ZINC000049183870 173322858 /nfs/dbraw/zinc/32/28/58/173322858.db2.gz VNGJVWBDVRFRQV-UHFFFAOYSA-N 2 1 224.373 1.974 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711755 173337928 /nfs/dbraw/zinc/33/79/28/173337928.db2.gz DXLJQAAYSQDJEG-LBPRGKRZSA-N 2 1 226.364 1.223 10 0 BDAEMP C[NH2+]C[C@@H]1CCCN(CCn2ccnc2C)C1 ZINC000049331256 173368252 /nfs/dbraw/zinc/36/82/52/173368252.db2.gz NCOMARBTTCFPTQ-ZDUSSCGKSA-N 3 1 236.363 1.123 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC000051210268 173373711 /nfs/dbraw/zinc/37/37/11/173373711.db2.gz HUTDQLIBKHZQHZ-CHWSQXEVSA-N 2 1 226.364 1.344 10 0 BDAEMP COCC[N@H+](CCC[NH2+]C1CC1)[C@H](C)COC ZINC000042609918 174290244 /nfs/dbraw/zinc/29/02/44/174290244.db2.gz TXCONADSSXFTMS-GFCCVEGCSA-N 2 1 244.379 1.112 10 0 BDAEMP COCC[N@@H+](CCC[NH2+]C1CC1)[C@H](C)COC ZINC000042609918 174290246 /nfs/dbraw/zinc/29/02/46/174290246.db2.gz TXCONADSSXFTMS-GFCCVEGCSA-N 2 1 244.379 1.112 10 0 BDAEMP COCC[N@H+](CCC[NH2+]C1CC1)[C@@H](C)COC ZINC000042609917 174291035 /nfs/dbraw/zinc/29/10/35/174291035.db2.gz TXCONADSSXFTMS-LBPRGKRZSA-N 2 1 244.379 1.112 10 0 BDAEMP COCC[N@@H+](CCC[NH2+]C1CC1)[C@@H](C)COC ZINC000042609917 174291037 /nfs/dbraw/zinc/29/10/37/174291037.db2.gz TXCONADSSXFTMS-LBPRGKRZSA-N 2 1 244.379 1.112 10 0 BDAEMP COc1ccc([C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000020274086 175192149 /nfs/dbraw/zinc/19/21/49/175192149.db2.gz LHMQBVLUICCJTL-LLVKDONJSA-N 2 1 238.331 1.655 10 0 BDAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225813629 487630206 /nfs/dbraw/zinc/63/02/06/487630206.db2.gz WSHWEQFWTSBIMI-VXGBXAGGSA-N 2 1 243.395 1.206 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657704 176074321 /nfs/dbraw/zinc/07/43/21/176074321.db2.gz YYCOHSYLUBGMKY-SNVBAGLBSA-N 2 1 232.331 1.740 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2cc(C[NH3+])no2)[C@H](C)C1 ZINC000052510123 176174429 /nfs/dbraw/zinc/17/44/29/176174429.db2.gz YVQVFQYGZYDYIH-NXEZZACHSA-N 2 1 223.320 1.754 10 0 BDAEMP C[C@@H]1CC[NH2+]C[C@H]1Nc1cc[nH+]cc1Cl ZINC000335657972 176185566 /nfs/dbraw/zinc/18/55/66/176185566.db2.gz QQBFJGVSFITYIN-LDYMZIIASA-N 2 1 225.723 1.567 10 0 BDAEMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000050952306 176289094 /nfs/dbraw/zinc/28/90/94/176289094.db2.gz APXLFAUTHLLBLX-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000061934327 176293805 /nfs/dbraw/zinc/29/38/05/176293805.db2.gz AVYUOTBBXBUUMB-NEPJUHHUSA-N 2 1 228.380 1.861 10 0 BDAEMP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@@H+](C)C2)S1 ZINC000037485235 176323820 /nfs/dbraw/zinc/32/38/20/176323820.db2.gz XHRQKRWYRLLKGD-RKDXNWHRSA-N 2 1 213.350 1.019 10 0 BDAEMP C[C@@H]1C[NH2+]CCN([C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000049662595 176325472 /nfs/dbraw/zinc/32/54/72/176325472.db2.gz IRESQKSDSLZRJK-MGPQQGTHSA-N 2 1 237.391 1.155 10 0 BDAEMP C[C@H](c1cccnc1)[NH+]1CCC[NH2+]CCC1 ZINC000049666661 177044534 /nfs/dbraw/zinc/04/45/34/177044534.db2.gz OIXTVCCEEFVOMY-GFCCVEGCSA-N 2 1 219.332 1.828 10 0 BDAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCCO ZINC000048695463 177075468 /nfs/dbraw/zinc/07/54/68/177075468.db2.gz QWSLYFQFLKGPIQ-LBPRGKRZSA-N 2 1 214.353 1.223 10 0 BDAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C[NH3+])no1 ZINC000052373385 177100731 /nfs/dbraw/zinc/10/07/31/177100731.db2.gz XKQJBXVUIOAJHV-VHSXEESVSA-N 2 1 223.320 1.754 10 0 BDAEMP C[C@H]1CCC[N@H+]1Cc1cccnc1C[NH3+] ZINC000061656648 177109872 /nfs/dbraw/zinc/10/98/72/177109872.db2.gz BIJIUZVTCAYQAY-JTQLQIEISA-N 2 1 205.305 1.525 10 0 BDAEMP C[C@H]1CC[N@@H+]([C@]2(C[NH3+])CCCSC2)C1 ZINC000061590108 177169686 /nfs/dbraw/zinc/16/96/86/177169686.db2.gz INDASXXLYRBKRF-QWRGUYRKSA-N 2 1 214.378 1.553 10 0 BDAEMP C[C@H]1CC[N@H+]([C@]2(C[NH3+])CCCSC2)C1 ZINC000061590108 177169687 /nfs/dbraw/zinc/16/96/87/177169687.db2.gz INDASXXLYRBKRF-QWRGUYRKSA-N 2 1 214.378 1.553 10 0 BDAEMP C[C@H]1CC[N@H+]([C@]2(C[NH3+])CCSC2)C1 ZINC000040717267 177169713 /nfs/dbraw/zinc/16/97/13/177169713.db2.gz QDWJCWZVZIOOBA-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CCc2cccnc2)C1 ZINC000049666865 177162322 /nfs/dbraw/zinc/16/23/22/177162322.db2.gz ZGPFLENVUJNTGI-KGLIPLIRSA-N 2 1 247.386 1.944 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2ccccc2C[NH3+])C1 ZINC000040716987 177165140 /nfs/dbraw/zinc/16/51/40/177165140.db2.gz KBPWMDGJPZUJOH-NSHDSACASA-N 2 1 204.317 1.987 10 0 BDAEMP C[C@H]1CC[N@@H+]([C@]2(C[NH3+])CCSC2)C1 ZINC000040717267 177169712 /nfs/dbraw/zinc/16/97/12/177169712.db2.gz QDWJCWZVZIOOBA-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H]1C[N@H+](C2CCC([NH3+])CC2)CCCO1 ZINC000061918726 177241677 /nfs/dbraw/zinc/24/16/77/177241677.db2.gz GUKOFJOCAGZOCM-UNXYVOJBSA-N 2 1 212.337 1.367 10 0 BDAEMP C[C@H]1C[N@H+](C2CCCCCC2)C[C@H](C[NH3+])O1 ZINC000071532963 177241802 /nfs/dbraw/zinc/24/18/02/177241802.db2.gz IVXJAOYUURNWBL-AAEUAGOBSA-N 2 1 226.364 1.757 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@H+](Cc2ccccn2)C1 ZINC000049666526 177282130 /nfs/dbraw/zinc/28/21/30/177282130.db2.gz RKAODRQGAKFLND-LBPRGKRZSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+](Cc2ccccn2)C1 ZINC000049666526 177282131 /nfs/dbraw/zinc/28/21/31/177282131.db2.gz RKAODRQGAKFLND-LBPRGKRZSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@H+](CCc2cccnc2)C1 ZINC000049662249 177282583 /nfs/dbraw/zinc/28/25/83/177282583.db2.gz BRTIFNOEAXPIQN-LBPRGKRZSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@@H+](CCc2cccnc2)C1 ZINC000049662249 177282584 /nfs/dbraw/zinc/28/25/84/177282584.db2.gz BRTIFNOEAXPIQN-LBPRGKRZSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@H]1COCC[N@@H+]1Cc1ccccc1C[NH3+] ZINC000035773954 177291968 /nfs/dbraw/zinc/29/19/68/177291968.db2.gz SUDQWSAVBLHYEJ-NSHDSACASA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@H]1COCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000035773954 177291970 /nfs/dbraw/zinc/29/19/70/177291970.db2.gz SUDQWSAVBLHYEJ-NSHDSACASA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000038096172 177370086 /nfs/dbraw/zinc/37/00/86/177370086.db2.gz AQUHUUNWSKYNQV-RFGFWPKPSA-N 2 1 240.391 1.874 10 0 BDAEMP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400361771 226341675 /nfs/dbraw/zinc/34/16/75/226341675.db2.gz QHEDAYRDLOOGHW-RDBSUJKOSA-N 2 1 239.407 1.448 10 0 BDAEMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000245712717 487707701 /nfs/dbraw/zinc/70/77/01/487707701.db2.gz ZSCJAPSMFHGDQL-BFHYXJOUSA-N 2 1 240.391 1.564 10 0 BDAEMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000245712717 487707705 /nfs/dbraw/zinc/70/77/05/487707705.db2.gz ZSCJAPSMFHGDQL-BFHYXJOUSA-N 2 1 240.391 1.564 10 0 BDAEMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000245712717 487707712 /nfs/dbraw/zinc/70/77/12/487707712.db2.gz ZSCJAPSMFHGDQL-BFHYXJOUSA-N 2 1 240.391 1.564 10 0 BDAEMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000245712717 487707715 /nfs/dbraw/zinc/70/77/15/487707715.db2.gz ZSCJAPSMFHGDQL-BFHYXJOUSA-N 2 1 240.391 1.564 10 0 BDAEMP CC[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[C@H]1[NH3+] ZINC000251850469 487802189 /nfs/dbraw/zinc/80/21/89/487802189.db2.gz RSHYAHAEOHDNQR-WDEREUQCSA-N 2 1 249.362 1.106 10 0 BDAEMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@H]3O)CC[C@H]21 ZINC000252476640 487824812 /nfs/dbraw/zinc/82/48/12/487824812.db2.gz SUSDEALAKFKBDK-AAVRWANBSA-N 2 1 238.375 1.316 10 0 BDAEMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)CC[C@H]21 ZINC000252476640 487824818 /nfs/dbraw/zinc/82/48/18/487824818.db2.gz SUSDEALAKFKBDK-AAVRWANBSA-N 2 1 238.375 1.316 10 0 BDAEMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CC[C@H]21 ZINC000252476640 487824824 /nfs/dbraw/zinc/82/48/24/487824824.db2.gz SUSDEALAKFKBDK-AAVRWANBSA-N 2 1 238.375 1.316 10 0 BDAEMP C[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1[NH3+] ZINC000235386159 487947837 /nfs/dbraw/zinc/94/78/37/487947837.db2.gz CQRYWLXCLVQZSH-DYEKYZERSA-N 2 1 246.354 1.832 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1[NH3+] ZINC000235386159 487947842 /nfs/dbraw/zinc/94/78/42/487947842.db2.gz CQRYWLXCLVQZSH-DYEKYZERSA-N 2 1 246.354 1.832 10 0 BDAEMP Cc1nc(NC[C@H](C)C[NH3+])c(C)c(C)[nH+]1 ZINC000257646947 323146424 /nfs/dbraw/zinc/14/64/24/323146424.db2.gz INBMIKKPXCSKSC-SSDOTTSWSA-N 2 1 208.309 1.409 10 0 BDAEMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400756212 487987241 /nfs/dbraw/zinc/98/72/41/487987241.db2.gz XAMYSXOPQAWTNH-AGIUHOORSA-N 2 1 225.380 1.058 10 0 BDAEMP CCCN1CC[C@H]([NH2+][C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400756212 487987247 /nfs/dbraw/zinc/98/72/47/487987247.db2.gz XAMYSXOPQAWTNH-AGIUHOORSA-N 2 1 225.380 1.058 10 0 BDAEMP c1ccc2c(c1)C[C@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000086728151 487540286 /nfs/dbraw/zinc/54/02/86/487540286.db2.gz HFGGTLSTOMOIPJ-RYUDHWBXSA-N 2 1 202.301 1.278 10 0 BDAEMP c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000086728148 487540367 /nfs/dbraw/zinc/54/03/67/487540367.db2.gz HFGGTLSTOMOIPJ-NEPJUHHUSA-N 2 1 202.301 1.278 10 0 BDAEMP Cc1nnsc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000381396743 487508106 /nfs/dbraw/zinc/50/81/06/487508106.db2.gz OYDHPRCZHRWJCJ-IVZWLZJFSA-N 2 1 238.360 1.016 10 0 BDAEMP Cc1nnsc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000381396743 487508111 /nfs/dbraw/zinc/50/81/11/487508111.db2.gz OYDHPRCZHRWJCJ-IVZWLZJFSA-N 2 1 238.360 1.016 10 0 BDAEMP CC[N@H+]1CCC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088019 490668583 /nfs/dbraw/zinc/66/85/83/490668583.db2.gz YNYPXYRILCKKHW-LLVKDONJSA-N 2 1 241.379 1.104 10 0 BDAEMP FCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757126755 582501580 /nfs/dbraw/zinc/50/15/80/582501580.db2.gz GZMXGMYPSJXRAJ-LLVKDONJSA-N 2 1 200.301 1.564 10 0 BDAEMP FCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757126755 582501582 /nfs/dbraw/zinc/50/15/82/582501582.db2.gz GZMXGMYPSJXRAJ-LLVKDONJSA-N 2 1 200.301 1.564 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757129254 582505021 /nfs/dbraw/zinc/50/50/21/582505021.db2.gz LAYRDXDLGLKRDM-CHWSQXEVSA-N 2 1 226.364 1.487 10 0 BDAEMP CCOCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757135091 582513939 /nfs/dbraw/zinc/51/39/39/582513939.db2.gz YIANCFIOXGPVIC-ZIAGYGMSSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[C@H]1CCO[C@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757147739 582531378 /nfs/dbraw/zinc/53/13/78/582531378.db2.gz SQPNYSHFLRQLME-STQMWFEESA-N 2 1 226.364 1.977 10 0 BDAEMP C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000400353401 533935185 /nfs/dbraw/zinc/93/51/85/533935185.db2.gz AGGBTMAKVHBFHQ-WDEREUQCSA-N 2 1 222.307 1.913 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400335880 529092409 /nfs/dbraw/zinc/09/24/09/529092409.db2.gz ABUVVNMSMIYJJS-FRRDWIJNSA-N 2 1 225.380 1.201 10 0 BDAEMP CC(C)C[C@@H]([NH3+])CN1CC[N@H+]2CCC[C@H]2C1 ZINC000251448034 535279237 /nfs/dbraw/zinc/27/92/37/535279237.db2.gz WRAHSUAYUPGDRC-OLZOCXBDSA-N 2 1 225.380 1.140 10 0 BDAEMP CC[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000037469395 535452990 /nfs/dbraw/zinc/45/29/90/535452990.db2.gz MIMGOUJAAIPXJL-UHFFFAOYSA-N 2 1 219.332 1.968 10 0 BDAEMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000167994597 536344633 /nfs/dbraw/zinc/34/46/33/536344633.db2.gz HXKMPLSNZGRFNO-DGCLKSJQSA-N 2 1 226.364 1.221 10 0 BDAEMP CN(C)[C@@H]1CCC[N@H+]([C@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000675053760 566415251 /nfs/dbraw/zinc/41/52/51/566415251.db2.gz LFBDSFCTAHHWMR-MELADBBJSA-N 2 1 239.407 1.530 10 0 BDAEMP CC(C)[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000399237555 583172065 /nfs/dbraw/zinc/17/20/65/583172065.db2.gz HRHJMSCYYFSFJY-CQSZACIVSA-N 2 1 240.391 1.467 10 0 BDAEMP COCC[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757128123 582502678 /nfs/dbraw/zinc/50/26/78/582502678.db2.gz IVTCAZFSRGTECI-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP COCC[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757128123 582502679 /nfs/dbraw/zinc/50/26/79/582502679.db2.gz IVTCAZFSRGTECI-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP COCC[C@@H](C)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757133344 582509689 /nfs/dbraw/zinc/50/96/89/582509689.db2.gz HZBHRYYULRYSCJ-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757144778 582525382 /nfs/dbraw/zinc/52/53/82/582525382.db2.gz PDJCGSRULMGTMM-UHFFFAOYSA-N 2 1 238.375 1.835 10 0 BDAEMP CC1(C)C[NH2+]C2(CC[NH2+]CC2)OC1(C)C ZINC000757151579 582535540 /nfs/dbraw/zinc/53/55/40/582535540.db2.gz ZUMKARUVLAACIH-UHFFFAOYSA-N 2 1 212.337 1.491 10 0 BDAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757141593 586427487 /nfs/dbraw/zinc/42/74/87/586427487.db2.gz AIAXAALBPWKCSU-CYBMUJFWSA-N 2 1 224.348 1.731 10 0 BDAEMP C[C@@H]1[NH2+][C@H](c2cccc(C[NH3+])c2)CC[C@H]1[NH3+] ZINC000757211814 586438918 /nfs/dbraw/zinc/43/89/18/586438918.db2.gz IUONSDWSEARGKW-BIMULSAOSA-N 3 1 219.332 1.286 10 0 BDAEMP C[C@@H]1CC[C@H](N)[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757214540 586440074 /nfs/dbraw/zinc/44/00/74/586440074.db2.gz MPKYWJCYNHTCOS-JIMOISOXSA-N 2 1 219.332 1.286 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1C[C@@H](C)[C@@H]([NH3+])C[NH2+]1 ZINC000757228300 586442834 /nfs/dbraw/zinc/44/28/34/586442834.db2.gz CFPSWWQBWURNFQ-ICCXJUOJSA-N 2 1 219.332 1.575 10 0 BDAEMP N[C@@H]1CCC[NH2+][C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757231373 586443394 /nfs/dbraw/zinc/44/33/94/586443394.db2.gz HRTBSQRFHITOCN-CABCVRRESA-N 2 1 245.370 1.775 10 0 BDAEMP c1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132265384 591697002 /nfs/dbraw/zinc/69/70/02/591697002.db2.gz RFQRFQNKMXYSAS-DGCLKSJQSA-N 2 1 232.327 1.709 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C(C)(C)CO ZINC000052205518 632814230 /nfs/dbraw/zinc/81/42/30/632814230.db2.gz OCULTUAGFNMJRR-NSHDSACASA-N 2 1 214.353 1.221 10 0 BDAEMP Cn1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000310906891 633015698 /nfs/dbraw/zinc/01/56/98/633015698.db2.gz BURKJBAEZUDOJO-XBFCOCLRSA-N 2 1 248.374 1.684 10 0 BDAEMP C[NH2+]C[C@H]1CCCCN1c1cc(C)[nH+]c(C)n1 ZINC000053706506 634327725 /nfs/dbraw/zinc/32/77/25/634327725.db2.gz RFBBFMLEKJXTFW-GFCCVEGCSA-N 2 1 234.347 1.672 10 0 BDAEMP C[N@@H+](CCCCCCO)[C@@H]1CCC[NH2+]CC1 ZINC000231668158 641193028 /nfs/dbraw/zinc/19/30/28/641193028.db2.gz KFAGXLDWOUNETE-CYBMUJFWSA-N 2 1 228.380 1.613 10 0 BDAEMP C[N@H+]1CCC[C@H](c2cccc(C[NH3+])c2)C1 ZINC000075906444 641777829 /nfs/dbraw/zinc/77/78/29/641777829.db2.gz CLXSBNLXYMZNIK-ZDUSSCGKSA-N 2 1 204.317 1.955 10 0 BDAEMP COC(=O)[C@@](C)([NH3+])C[C@H](C)n1cc[nH+]c1C ZINC000082802669 643524852 /nfs/dbraw/zinc/52/48/52/643524852.db2.gz KCEQRNYKPKXIKU-KWQFWETISA-N 2 1 225.292 1.033 10 0 BDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC[NH2+]C1CC1 ZINC000094459213 644718007 /nfs/dbraw/zinc/71/80/07/644718007.db2.gz CKMAEGOCMOTJNZ-GXTWGEPZSA-N 2 1 237.391 1.297 10 0 BDAEMP OCc1c[nH+]ccc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250166038 644748630 /nfs/dbraw/zinc/74/86/30/644748630.db2.gz JUBZYDHQTAOJEA-ZDUSSCGKSA-N 2 1 247.342 1.248 10 0 BDAEMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251917074 644829999 /nfs/dbraw/zinc/82/99/99/644829999.db2.gz YEBJTXUOXGBRBZ-GRYCIOLGSA-N 2 1 212.337 1.225 10 0 BDAEMP C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000709985118 712237341 /nfs/dbraw/zinc/23/73/41/712237341.db2.gz YDDZQIMKLHCLRF-AGIUHOORSA-N 2 1 208.349 1.860 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CNc1cc[nH+]cc1Cl ZINC000723810109 710731501 /nfs/dbraw/zinc/73/15/01/710731501.db2.gz JONXIDPXJSBZFP-BDAKNGLRSA-N 2 1 225.723 1.424 10 0 BDAEMP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@H]1CC[NH3+] ZINC000723901396 711545008 /nfs/dbraw/zinc/54/50/08/711545008.db2.gz HCUIRNSDVFLXQM-NXEZZACHSA-N 2 1 245.330 1.379 10 0 BDAEMP C([C@H]1CCCO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257650259 711723238 /nfs/dbraw/zinc/72/32/38/711723238.db2.gz DBDUZJNHHDIYFS-OLZOCXBDSA-N 2 1 224.348 1.241 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]cc1Cl ZINC000721873040 711793652 /nfs/dbraw/zinc/79/36/52/711793652.db2.gz ODNYSYLHQGSJGK-GMSGAONNSA-N 2 1 211.696 1.177 10 0 BDAEMP Cc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000708839367 712200766 /nfs/dbraw/zinc/20/07/66/712200766.db2.gz CWDHGJGCJISVIS-UONOGXRCSA-N 2 1 248.370 1.900 10 0 BDAEMP Cn1c2ccccc2[nH+]c1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715086079 712507702 /nfs/dbraw/zinc/50/77/02/712507702.db2.gz PYBWRXPARRNQCB-MGCOHNPYSA-N 2 1 230.315 1.723 10 0 BDAEMP Cc1cc(NC[C@H]2C[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000715113490 712510078 /nfs/dbraw/zinc/51/00/78/712510078.db2.gz GLODSSYLLBXEHR-AOOOYVTPSA-N 2 1 206.293 1.243 10 0 BDAEMP CCC[N@@H+]1CC[C@H]([NH3+])C12CCC(=O)CC2 ZINC000685955237 538900810 /nfs/dbraw/zinc/90/08/10/538900810.db2.gz WKIAFXKMFLOFCF-NSHDSACASA-N 2 1 210.321 1.311 10 0 BDAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCC(=O)CC2 ZINC000685955237 538900812 /nfs/dbraw/zinc/90/08/12/538900812.db2.gz WKIAFXKMFLOFCF-NSHDSACASA-N 2 1 210.321 1.311 10 0 BDAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCSC2 ZINC000685952688 538896966 /nfs/dbraw/zinc/89/69/66/538896966.db2.gz CBPPPMBIHPJTRS-MNOVXSKESA-N 2 1 214.378 1.694 10 0 BDAEMP Cc1cc(F)ccc1[C@H]1C[NH2+]C[C@@]1(C)[NH3+] ZINC000685965379 538911941 /nfs/dbraw/zinc/91/19/41/538911941.db2.gz BTSFVHGSEUQMQC-VXGBXAGGSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c(C)c1 ZINC000685965340 538911979 /nfs/dbraw/zinc/91/19/79/538911979.db2.gz ACQWAPJYCYKMMO-STQMWFEESA-N 2 1 204.317 1.708 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1F ZINC000685965580 538912057 /nfs/dbraw/zinc/91/20/57/538912057.db2.gz JZHVKEAUCVTFQU-JOYOIKCWSA-N 2 1 224.279 1.239 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1C1CC1 ZINC000685965623 538912508 /nfs/dbraw/zinc/91/25/08/538912508.db2.gz LQKPQHUTAAIGON-ZIAGYGMSSA-N 2 1 216.328 1.968 10 0 BDAEMP C[C@H]([C@H](C)[NH3+])[N@H+]1CCS[C@H](C)CC1 ZINC000307515456 398174033 /nfs/dbraw/zinc/17/40/33/398174033.db2.gz MTMIRPQAXSJKSL-KXUCPTDWSA-N 2 1 202.367 1.550 10 0 BDAEMP Cc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)cc[nH+]1 ZINC000302551387 178118984 /nfs/dbraw/zinc/11/89/84/178118984.db2.gz IKFYYGKCUYGCJU-AWEZNQCLSA-N 2 1 247.342 1.301 10 0 BDAEMP OCC[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000303741074 187327352 /nfs/dbraw/zinc/32/73/52/187327352.db2.gz GXEWQRDYGFKVRH-CYBMUJFWSA-N 2 1 226.364 1.319 10 0 BDAEMP CCc1nn(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000386661512 398214874 /nfs/dbraw/zinc/21/48/74/398214874.db2.gz VNJVALSIMWVNCQ-UHTWSYAYSA-N 2 1 248.374 1.152 10 0 BDAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C12CCSCC2 ZINC000606283140 538929636 /nfs/dbraw/zinc/92/96/36/538929636.db2.gz VTGYVMGKESWHBC-JTQLQIEISA-N 2 1 214.378 1.694 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCSC2)C1 ZINC000070798620 361758234 /nfs/dbraw/zinc/75/82/34/361758234.db2.gz UTNWOJGRNGUCHA-VHSXEESVSA-N 2 1 200.351 1.033 10 0 BDAEMP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]c(C)c2)C1 ZINC000166120743 538938893 /nfs/dbraw/zinc/93/88/93/538938893.db2.gz QGQLQNORQGZNBL-ZDUSSCGKSA-N 2 1 235.331 1.523 10 0 BDAEMP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]c(C)c2)C1 ZINC000166120743 538938894 /nfs/dbraw/zinc/93/88/94/538938894.db2.gz QGQLQNORQGZNBL-ZDUSSCGKSA-N 2 1 235.331 1.523 10 0 BDAEMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)[C@@H]1C ZINC000381045468 398252478 /nfs/dbraw/zinc/25/24/78/398252478.db2.gz DCXPWKYKDLBHHM-NQBHXWOUSA-N 2 1 226.364 1.077 10 0 BDAEMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)O1 ZINC000381387439 398255341 /nfs/dbraw/zinc/25/53/41/398255341.db2.gz MNKXNYHXZRVWTF-FHUSYTEZSA-N 2 1 224.348 1.223 10 0 BDAEMP CCC(CC)[N@H+](C)[C@H]1COCC[C@@H]1[NH3+] ZINC000036305489 168369455 /nfs/dbraw/zinc/36/94/55/168369455.db2.gz CYWITRINUMBAKA-QWRGUYRKSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC(CC)[N@@H+](C)[C@H]1COCC[C@@H]1[NH3+] ZINC000036305489 168369456 /nfs/dbraw/zinc/36/94/56/168369456.db2.gz CYWITRINUMBAKA-QWRGUYRKSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC(CC)[N@@H+](CCO)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042499806 168373814 /nfs/dbraw/zinc/37/38/14/168373814.db2.gz JVFXVVFCPZUECI-OCCSQVGLSA-N 2 1 242.407 1.987 10 0 BDAEMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335517355 398290271 /nfs/dbraw/zinc/29/02/71/398290271.db2.gz JSVMOFIFOKYWDK-QWHCGFSZSA-N 3 1 225.380 1.201 10 0 BDAEMP CCC(CC)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000308946108 168393937 /nfs/dbraw/zinc/39/39/37/168393937.db2.gz NTIYALIAIAQIFG-NSHDSACASA-N 2 1 207.321 1.976 10 0 BDAEMP C[C@@H]([NH2+]C[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000381322154 538998434 /nfs/dbraw/zinc/99/84/34/538998434.db2.gz PDXBATKUHXPVAH-GHMZBOCLSA-N 2 1 219.332 1.834 10 0 BDAEMP CC[N@@H+]1C[C@H](Nc2cc[nH+]cc2C)[C@@H](C)C1 ZINC000390657441 539027088 /nfs/dbraw/zinc/02/70/88/539027088.db2.gz RFXFFKWGPXUOFG-AAEUAGOBSA-N 2 1 219.332 1.564 10 0 BDAEMP CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2C)C1 ZINC000390657831 539027101 /nfs/dbraw/zinc/02/71/01/539027101.db2.gz RFXFFKWGPXUOFG-YPMHNXCESA-N 2 1 219.332 1.564 10 0 BDAEMP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000034781513 343278522 /nfs/dbraw/zinc/27/85/22/343278522.db2.gz QSJGZIHOPCJDNN-OLZOCXBDSA-N 2 1 202.301 1.610 10 0 BDAEMP CC(C)[N@@H+](CCCO)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042508071 187266117 /nfs/dbraw/zinc/26/61/17/187266117.db2.gz YWHWUWLXNDTSOA-UHFFFAOYSA-N 2 1 249.358 1.563 10 0 BDAEMP CN([C@@H](C[NH3+])C(C)(C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053205483 187271387 /nfs/dbraw/zinc/27/13/87/187271387.db2.gz LHDQTZFXXXWALW-NEPJUHHUSA-N 2 1 227.396 1.386 10 0 BDAEMP COC[C@H]1C[N@H+](CC[NH3+])CC12CCCC2 ZINC000409432696 343827731 /nfs/dbraw/zinc/82/77/31/343827731.db2.gz LQWMOVAYDAUPTM-LLVKDONJSA-N 2 1 212.337 1.084 10 0 BDAEMP COC[C@H]1C[N@@H+](CC[NH3+])CC12CCCC2 ZINC000409432696 343827733 /nfs/dbraw/zinc/82/77/33/343827733.db2.gz LQWMOVAYDAUPTM-LLVKDONJSA-N 2 1 212.337 1.084 10 0 BDAEMP CCOC[C@H]1C[N@H+](C2CC[NH2+]CC2)C[C@H]1C ZINC000409435586 343834275 /nfs/dbraw/zinc/83/42/75/343834275.db2.gz VLVWIBMQTBAGLV-VXGBXAGGSA-N 2 1 226.364 1.343 10 0 BDAEMP CCOC[C@H]1C[N@@H+](CCC[NH3+])CC12CCC2 ZINC000409435871 343839887 /nfs/dbraw/zinc/83/98/87/343839887.db2.gz XAKOBKNJORRMEA-GFCCVEGCSA-N 2 1 226.364 1.474 10 0 BDAEMP C[C@@H]1SCC[C@@]1(C[NH3+])[NH2+]Cc1ccccc1 ZINC000235338274 343957914 /nfs/dbraw/zinc/95/79/14/343957914.db2.gz SKDRZRUXEVYVDO-AAEUAGOBSA-N 2 1 236.384 1.999 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@@]2(C[NH3+])CCSC2)C1 ZINC000226756649 344685608 /nfs/dbraw/zinc/68/56/08/344685608.db2.gz QDWJCWZVZIOOBA-NXEZZACHSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@@]2(C[NH3+])CCSC2)C1 ZINC000226756649 344685610 /nfs/dbraw/zinc/68/56/10/344685610.db2.gz QDWJCWZVZIOOBA-NXEZZACHSA-N 2 1 200.351 1.163 10 0 BDAEMP CSC1(C[N@H+]2CCC[NH2+]CC2)CCC1 ZINC000235051229 344753901 /nfs/dbraw/zinc/75/39/01/344753901.db2.gz JPUSTQBRTRXDCL-UHFFFAOYSA-N 2 1 214.378 1.567 10 0 BDAEMP CN(C)[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000675053491 537865953 /nfs/dbraw/zinc/86/59/53/537865953.db2.gz LFBDSFCTAHHWMR-BFHYXJOUSA-N 2 1 239.407 1.530 10 0 BDAEMP CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000119689789 344859542 /nfs/dbraw/zinc/85/95/42/344859542.db2.gz BOAMSQYSHLSEAW-ZDUSSCGKSA-N 2 1 225.380 1.108 10 0 BDAEMP CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000119689789 344859544 /nfs/dbraw/zinc/85/95/44/344859544.db2.gz BOAMSQYSHLSEAW-ZDUSSCGKSA-N 2 1 225.380 1.108 10 0 BDAEMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCSC1 ZINC000224531611 344938439 /nfs/dbraw/zinc/93/84/39/344938439.db2.gz MVNHYKAPQZYFHR-QWHCGFSZSA-N 2 1 236.384 1.857 10 0 BDAEMP C[C@@H](c1ccc[nH]1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000247964679 344992751 /nfs/dbraw/zinc/99/27/51/344992751.db2.gz GVLVCDMZIGEUFQ-QWRGUYRKSA-N 2 1 207.321 1.617 10 0 BDAEMP C[C@@H](c1ccc[nH]1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000247964679 344992753 /nfs/dbraw/zinc/99/27/53/344992753.db2.gz GVLVCDMZIGEUFQ-QWRGUYRKSA-N 2 1 207.321 1.617 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000634999606 345200327 /nfs/dbraw/zinc/20/03/27/345200327.db2.gz WZHAAVNZECMOND-BDAKNGLRSA-N 2 1 211.334 1.170 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000634999606 345200328 /nfs/dbraw/zinc/20/03/28/345200328.db2.gz WZHAAVNZECMOND-BDAKNGLRSA-N 2 1 211.334 1.170 10 0 BDAEMP c1ccc(C2(C[NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000216201998 345743794 /nfs/dbraw/zinc/74/37/94/345743794.db2.gz VPIGCJHBBZOWEQ-ZDUSSCGKSA-N 2 1 216.328 1.670 10 0 BDAEMP COc1cccc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000075089839 537925965 /nfs/dbraw/zinc/92/59/65/537925965.db2.gz TVLSUIGXKZKJHQ-AAEUAGOBSA-N 2 1 220.316 1.789 10 0 BDAEMP COc1cccc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000075089839 537925970 /nfs/dbraw/zinc/92/59/70/537925970.db2.gz TVLSUIGXKZKJHQ-AAEUAGOBSA-N 2 1 220.316 1.789 10 0 BDAEMP c1coc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000390510278 346083446 /nfs/dbraw/zinc/08/34/46/346083446.db2.gz ZENIBGLIBWLMOW-SNVBAGLBSA-N 2 1 217.272 1.581 10 0 BDAEMP CC(C)[C@@](C)(C[NH3+])[N@H+]1CCCOCC1 ZINC000061916506 346180016 /nfs/dbraw/zinc/18/00/16/346180016.db2.gz UCRKOCHMPSENAX-LLVKDONJSA-N 2 1 200.326 1.082 10 0 BDAEMP C[C@@H](C[NH3+])[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669377898 537966526 /nfs/dbraw/zinc/96/65/26/537966526.db2.gz ZIQQSXSZORIRHV-ZFWWWQNUSA-N 2 1 248.370 1.608 10 0 BDAEMP CCc1cc(N[C@@H](C)C[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC000165762742 346657685 /nfs/dbraw/zinc/65/76/85/346657685.db2.gz NQALAPADMFCWJB-BDAKNGLRSA-N 2 1 222.336 1.885 10 0 BDAEMP Cc1cccc(NC[C@@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000144909300 179146158 /nfs/dbraw/zinc/14/61/58/179146158.db2.gz HYZPAWFZXYGDNF-CYBMUJFWSA-N 2 1 249.358 1.649 10 0 BDAEMP C[N@@H+]([C@@H]1CCSC1)[C@H]1CCC[C@@H]1[NH3+] ZINC000250430503 362804001 /nfs/dbraw/zinc/80/40/01/362804001.db2.gz QZJNARKNPAPNKJ-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCSC2)C1 ZINC000250770547 362819451 /nfs/dbraw/zinc/81/94/51/362819451.db2.gz UTNWOJGRNGUCHA-ZJUUUORDSA-N 2 1 200.351 1.033 10 0 BDAEMP Cc1ccccc1C1CC([NH2+]CC[NH3+])C1 ZINC000037712827 179256242 /nfs/dbraw/zinc/25/62/42/179256242.db2.gz QUUIKJFYKVXPHQ-UHFFFAOYSA-N 2 1 204.317 1.789 10 0 BDAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@H+](C)C[C@@H](C)O ZINC000054023285 179325071 /nfs/dbraw/zinc/32/50/71/179325071.db2.gz HOWLKHLXGZTFGM-OCCSQVGLSA-N 2 1 236.359 1.698 10 0 BDAEMP CC[NH2+]C[C@H](O)C[N@H+](CC)Cc1ccccc1 ZINC000036950622 347980466 /nfs/dbraw/zinc/98/04/66/347980466.db2.gz DBDVVWLSCAICHK-AWEZNQCLSA-N 2 1 236.359 1.479 10 0 BDAEMP CC[NH2+]C[C@H](O)C[N@@H+](CC)Cc1ccccc1 ZINC000036950622 347980470 /nfs/dbraw/zinc/98/04/70/347980470.db2.gz DBDVVWLSCAICHK-AWEZNQCLSA-N 2 1 236.359 1.479 10 0 BDAEMP C[C@H]([NH3+])CC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251631538 362893709 /nfs/dbraw/zinc/89/37/09/362893709.db2.gz IKWXJSOTYQNMST-UWVGGRQHSA-N 2 1 200.326 1.223 10 0 BDAEMP Cc1ncc(C[NH2+]C[C@H]2CC[NH2+]C2)s1 ZINC000062117088 180151329 /nfs/dbraw/zinc/15/13/29/180151329.db2.gz SBQQOQYVDQNNBG-VIFPVBQESA-N 2 1 211.334 1.151 10 0 BDAEMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022222282 180233097 /nfs/dbraw/zinc/23/30/97/180233097.db2.gz AAVNYTLALOJRAL-UHFFFAOYSA-N 2 1 244.298 1.289 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]CCc1ccccn1 ZINC000049329851 180260690 /nfs/dbraw/zinc/26/06/90/180260690.db2.gz YEVPTONWCUUWFE-UHFFFAOYSA-N 2 1 230.315 1.419 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043354891 180272275 /nfs/dbraw/zinc/27/22/75/180272275.db2.gz NAOAGDGGCWLYKS-JOYOIKCWSA-N 2 1 216.288 1.523 10 0 BDAEMP C[C@H](C[N@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000228594027 350818475 /nfs/dbraw/zinc/81/84/75/350818475.db2.gz RKEBDHCDYVMUDJ-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc(CO)cc2)CC1 ZINC000616600573 350780272 /nfs/dbraw/zinc/78/02/72/350780272.db2.gz GPIRNSZDFFBVEB-CQSZACIVSA-N 2 1 248.370 1.707 10 0 BDAEMP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc(CO)cc2)CC1 ZINC000616600573 350780273 /nfs/dbraw/zinc/78/02/73/350780273.db2.gz GPIRNSZDFFBVEB-CQSZACIVSA-N 2 1 248.370 1.707 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1ccc(Br)cn1 ZINC000306702782 350851365 /nfs/dbraw/zinc/85/13/65/350851365.db2.gz AGHNNWQDQICQBL-ZETCQYMHSA-N 2 1 230.109 1.193 10 0 BDAEMP CNC(=[NH2+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000306719109 350880525 /nfs/dbraw/zinc/88/05/25/350880525.db2.gz JXPDSXSQRXXRRK-DGCLKSJQSA-N 2 1 246.358 1.251 10 0 BDAEMP C[C@@H]1CC[N@@H+](C2(C[NH3+])CSC2)[C@H]1C ZINC000306879494 351271279 /nfs/dbraw/zinc/27/12/79/351271279.db2.gz GKCCHKQTCALSEX-BDAKNGLRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@H+](C2(C[NH3+])CSC2)[C@H]1C ZINC000306879494 351271284 /nfs/dbraw/zinc/27/12/84/351271284.db2.gz GKCCHKQTCALSEX-BDAKNGLRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1CC[N@@H+](C2(C[NH3+])CSC2)[C@H]1C ZINC000306879496 351271308 /nfs/dbraw/zinc/27/13/08/351271308.db2.gz GKCCHKQTCALSEX-IUCAKERBSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1CC[N@H+](C2(C[NH3+])CSC2)[C@H]1C ZINC000306879496 351271311 /nfs/dbraw/zinc/27/13/11/351271311.db2.gz GKCCHKQTCALSEX-IUCAKERBSA-N 2 1 200.351 1.161 10 0 BDAEMP c1ccc(C[NH+]2CC3=C(C[NH2+]C3)C2)cc1 ZINC000307129948 351492712 /nfs/dbraw/zinc/49/27/12/351492712.db2.gz FZIMRWWZAJJEON-UHFFFAOYSA-N 2 1 200.285 1.402 10 0 BDAEMP CS[C@H]1CC[N@@H+]([C@@H]2CCCC[NH2+]C2)C1 ZINC000307254987 351790809 /nfs/dbraw/zinc/79/08/09/351790809.db2.gz YZBJLLJZRPNTRA-MNOVXSKESA-N 2 1 214.378 1.566 10 0 BDAEMP CS[C@H]1CC[N@H+]([C@@H]2CCCC[NH2+]C2)C1 ZINC000307254987 351790812 /nfs/dbraw/zinc/79/08/12/351790812.db2.gz YZBJLLJZRPNTRA-MNOVXSKESA-N 2 1 214.378 1.566 10 0 BDAEMP [NH3+][C@@H]1CC12CCC([N@H+]1CCC[C@@H](CO)C1)CC2 ZINC000725270444 538102347 /nfs/dbraw/zinc/10/23/47/538102347.db2.gz NAFFQNMCSRCWNF-NELGMTEASA-N 2 1 238.375 1.351 10 0 BDAEMP C[C@@H]1CSCC[N@H+]([C@H]2CC[C@@H]2C[NH3+])C1 ZINC000307461974 352611214 /nfs/dbraw/zinc/61/12/14/352611214.db2.gz GAATWQHDLFUULT-AXFHLTTASA-N 2 1 214.378 1.409 10 0 BDAEMP CO[C@H](CC[NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000307490971 352621294 /nfs/dbraw/zinc/62/12/94/352621294.db2.gz GDRUQNSHAJTMFC-CYBMUJFWSA-N 2 1 222.332 1.482 10 0 BDAEMP C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000307694129 352970525 /nfs/dbraw/zinc/97/05/25/352970525.db2.gz ZMHVMLMNLXACFD-IVZWLZJFSA-N 2 1 200.351 1.222 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@@H+]1CCC1CC[NH2+]CC1 ZINC000334602935 354282744 /nfs/dbraw/zinc/28/27/44/354282744.db2.gz UFIHKPLMAZRZFS-TXEJJXNPSA-N 2 1 226.364 1.485 10 0 BDAEMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCOCC12CCC2 ZINC000335205994 355041261 /nfs/dbraw/zinc/04/12/61/355041261.db2.gz FXCGOLFGPNRXNC-GFCCVEGCSA-N 2 1 224.348 1.241 10 0 BDAEMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCOCC12CCC2 ZINC000335205994 355041263 /nfs/dbraw/zinc/04/12/63/355041263.db2.gz FXCGOLFGPNRXNC-GFCCVEGCSA-N 2 1 224.348 1.241 10 0 BDAEMP NC(=[NH2+])CC[N@H+](Cc1ccccc1)C1CC1 ZINC000042547910 181187079 /nfs/dbraw/zinc/18/70/79/181187079.db2.gz BLPMTMTUXSLTAY-UHFFFAOYSA-N 2 1 217.316 1.977 10 0 BDAEMP NC(=[NH2+])CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000042547910 181187081 /nfs/dbraw/zinc/18/70/81/181187081.db2.gz BLPMTMTUXSLTAY-UHFFFAOYSA-N 2 1 217.316 1.977 10 0 BDAEMP FC1(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000379460260 358499251 /nfs/dbraw/zinc/49/92/51/358499251.db2.gz RPRGGXIMJJPMBG-JTQLQIEISA-N 2 1 223.295 1.537 10 0 BDAEMP Cc1cc(F)ccc1[C@@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000675056181 538477592 /nfs/dbraw/zinc/47/75/92/538477592.db2.gz LDLKJEYHKLFKTK-RYUDHWBXSA-N 2 1 208.280 1.538 10 0 BDAEMP [NH3+][C@H]1C=C(C[C@@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675078841 538515765 /nfs/dbraw/zinc/51/57/65/538515765.db2.gz URNNAOKQCKSRIQ-UWVGGRQHSA-N 2 1 216.275 1.669 10 0 BDAEMP N[C@H]1C=C(c2ccc(Cl)s2)C[NH2+]C1 ZINC000675079406 538517496 /nfs/dbraw/zinc/51/74/96/538517496.db2.gz YIRSLBFIUOSNRE-ZETCQYMHSA-N 2 1 214.721 1.715 10 0 BDAEMP Cc1nc(C)c(C2=C[C@@H](N)C[NH2+]C2)s1 ZINC000675079333 538517787 /nfs/dbraw/zinc/51/77/87/538517787.db2.gz XSTNKWLTRFYOPG-SECBINFHSA-N 2 1 209.318 1.074 10 0 BDAEMP CC(C)[N@@H+](C)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080493 538519448 /nfs/dbraw/zinc/51/94/48/538519448.db2.gz RVBNTZBVYFGHSR-QWRGUYRKSA-N 2 1 212.337 1.223 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CC[N@@H+]1C ZINC000155865663 538737673 /nfs/dbraw/zinc/73/76/73/538737673.db2.gz VKOBQQPVVGITRH-LPWJVIDDSA-N 2 1 226.364 1.362 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CC[N@H+]1C ZINC000155865663 538737680 /nfs/dbraw/zinc/73/76/80/538737680.db2.gz VKOBQQPVVGITRH-LPWJVIDDSA-N 2 1 226.364 1.362 10 0 BDAEMP Cc1cccc(NC[C@H]2C[NH2+]CCCO2)[nH+]1 ZINC000389898111 357062789 /nfs/dbraw/zinc/06/27/89/357062789.db2.gz NEAGOBAPDOAGBM-LLVKDONJSA-N 2 1 221.304 1.180 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCSC1 ZINC000168830609 357246808 /nfs/dbraw/zinc/24/68/08/357246808.db2.gz SAYLLDLONJIPQJ-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(N)c1 ZINC000685946336 538887951 /nfs/dbraw/zinc/88/79/51/538887951.db2.gz PNWZMAFXKUGOPA-RYUDHWBXSA-N 2 1 205.305 1.063 10 0 BDAEMP Cc1cc([C@H]2C[NH2+]C[C@]2(C)[NH3+])ccc1F ZINC000685947002 538889014 /nfs/dbraw/zinc/88/90/14/538889014.db2.gz YYDPJUMKHXRHMB-PWSUYJOCSA-N 2 1 208.280 1.538 10 0 BDAEMP CO[C@@H]1CCC[N@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685951386 538894684 /nfs/dbraw/zinc/89/46/84/538894684.db2.gz RUUZHICKVWVEAJ-IJLUTSLNSA-N 2 1 226.364 1.341 10 0 BDAEMP Cc1c[nH+]ccc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000192575458 357844469 /nfs/dbraw/zinc/84/44/69/357844469.db2.gz LIEAODCISAPVCM-ZDUSSCGKSA-N 2 1 247.342 1.665 10 0 BDAEMP Cc1c[nH+]ccc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000192575458 357844472 /nfs/dbraw/zinc/84/44/72/357844472.db2.gz LIEAODCISAPVCM-ZDUSSCGKSA-N 2 1 247.342 1.665 10 0 BDAEMP [NH3+]C[C@H]([NH3+])CC1=Cc2ccccc2CC1 ZINC000039185855 358219770 /nfs/dbraw/zinc/21/97/70/358219770.db2.gz XFQNGHYQCQCYQA-CYBMUJFWSA-N 2 1 202.301 1.692 10 0 BDAEMP CC(C)C1([NH+]2CCOCC2)CC[NH2+]CC1 ZINC000584643665 358328606 /nfs/dbraw/zinc/32/86/06/358328606.db2.gz KWEKTMVQSAQFEX-UHFFFAOYSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@@H]1COC[C@H](C)N1CC[C@H]1CCC[N@H+]1C ZINC000246747050 359161492 /nfs/dbraw/zinc/16/14/92/359161492.db2.gz HNZMBZMJZLAVPZ-FRRDWIJNSA-N 2 1 226.364 1.580 10 0 BDAEMP CC[N@H+](C[C@@H](C)C[NH3+])[C@@H](C)C(=O)NCC(C)C ZINC000042442707 169879574 /nfs/dbraw/zinc/87/95/74/169879574.db2.gz DGYOCFNFJURHEW-RYUDHWBXSA-N 2 1 243.395 1.064 10 0 BDAEMP CC[N@@H+](C[C@@H](C)C[NH3+])[C@@H](C)C(=O)NCC(C)C ZINC000042442707 169879576 /nfs/dbraw/zinc/87/95/76/169879576.db2.gz DGYOCFNFJURHEW-RYUDHWBXSA-N 2 1 243.395 1.064 10 0 BDAEMP Cl/C=C/C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000306428469 359880730 /nfs/dbraw/zinc/88/07/30/359880730.db2.gz MNNJPZHGFUAFRZ-NPQLTMNKSA-N 2 1 200.713 1.423 10 0 BDAEMP Cl/C=C/C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000306428469 359880734 /nfs/dbraw/zinc/88/07/34/359880734.db2.gz MNNJPZHGFUAFRZ-NPQLTMNKSA-N 2 1 200.713 1.423 10 0 BDAEMP CC[C@@H]1CS[C@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 ZINC000306588869 360494005 /nfs/dbraw/zinc/49/40/05/360494005.db2.gz WDMSQGQLTRKRNU-OPRDCNLKSA-N 2 1 200.351 1.427 10 0 BDAEMP CC[C@H]1[C@H](C)CC[N@@H+]1C1(C[NH3+])CSC1 ZINC000306595282 360515827 /nfs/dbraw/zinc/51/58/27/360515827.db2.gz XVEWAVFIUXQSQM-ZJUUUORDSA-N 2 1 214.378 1.551 10 0 BDAEMP CC[C@H]1[C@H](C)CC[N@H+]1C1(C[NH3+])CSC1 ZINC000306595282 360515832 /nfs/dbraw/zinc/51/58/32/360515832.db2.gz XVEWAVFIUXQSQM-ZJUUUORDSA-N 2 1 214.378 1.551 10 0 BDAEMP FC1(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000309574359 491151911 /nfs/dbraw/zinc/15/19/11/491151911.db2.gz OGTUMDXKSOAPOM-SNVBAGLBSA-N 2 1 223.295 1.537 10 0 BDAEMP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309821489 491157291 /nfs/dbraw/zinc/15/72/91/491157291.db2.gz WKTJOANBSMHXQL-YPMHNXCESA-N 2 1 226.364 1.221 10 0 BDAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)[C@@H](C)C(C)C ZINC000725272943 541340429 /nfs/dbraw/zinc/34/04/29/541340429.db2.gz UQACXGKLVBIZRV-JTQLQIEISA-N 2 1 225.336 1.129 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCCSCC2)CCOCC1 ZINC000052197960 181358593 /nfs/dbraw/zinc/35/85/93/181358593.db2.gz DLOWMCALPAIUBT-UHFFFAOYSA-N 2 1 244.404 1.181 10 0 BDAEMP C[C@@H]1CC[C@@H](Nc2cc[nH+]cc2Cl)C[NH2+]1 ZINC000630533878 364226852 /nfs/dbraw/zinc/22/68/52/364226852.db2.gz GRASBVBDWGSNPJ-RKDXNWHRSA-N 2 1 225.723 1.709 10 0 BDAEMP CCc1nc(N[C@H]2CC[C@H](C)[NH2+]C2)cc(C)[nH+]1 ZINC000630535254 364229527 /nfs/dbraw/zinc/22/95/27/364229527.db2.gz SLXMVFPVYIMEJG-ONGXEEELSA-N 2 1 234.347 1.322 10 0 BDAEMP Cc1cccc(NCCOCCC[NH3+])[nH+]1 ZINC000630535227 364230062 /nfs/dbraw/zinc/23/00/62/364230062.db2.gz SDTSCRCUYKGTHB-UHFFFAOYSA-N 2 1 209.293 1.167 10 0 BDAEMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576209063 365522234 /nfs/dbraw/zinc/52/22/34/365522234.db2.gz OJKYJZPVXVLEMT-JHJVBQTASA-N 3 1 227.396 1.304 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CC[C@H]2C[NH3+])CCS1 ZINC000252982957 368179013 /nfs/dbraw/zinc/17/90/13/368179013.db2.gz YPJSJJBXXBTJEN-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[C@](C)(C[NH3+])[N@H+]1CCS[C@H](C)[C@H]1C ZINC000253056320 368418313 /nfs/dbraw/zinc/41/83/13/368418313.db2.gz ARJOZHQLOALTMG-GMTAPVOTSA-N 2 1 216.394 1.940 10 0 BDAEMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000390495344 371207733 /nfs/dbraw/zinc/20/77/33/371207733.db2.gz RPEBYVOPWUULRM-IJLUTSLNSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@H]1C[N@@H+](C[Si](C)(C)C)CC[C@H]1[NH3+] ZINC000401638614 371796390 /nfs/dbraw/zinc/79/63/90/371796390.db2.gz GODILJJHBWUOJY-VHSXEESVSA-N 2 1 200.402 1.533 10 0 BDAEMP C[C@@H]1SCC[N@@H+](CC2C[NH2+]C2)[C@H]1C ZINC000132513390 371847808 /nfs/dbraw/zinc/84/78/08/371847808.db2.gz RTYGXWTZAGWPCR-IUCAKERBSA-N 2 1 200.351 1.032 10 0 BDAEMP CC1(C)CS[C@@](C)([C@H]2CC[NH2+]C2)[NH2+]1 ZINC000307655613 372136487 /nfs/dbraw/zinc/13/64/87/372136487.db2.gz XIMPMHRRTNVTKK-WPRPVWTQSA-N 2 1 200.351 1.427 10 0 BDAEMP Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837785 372629822 /nfs/dbraw/zinc/62/98/22/372629822.db2.gz FMFIYEACABBTIO-AAEUAGOBSA-N 2 1 236.363 1.108 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837785 372629826 /nfs/dbraw/zinc/62/98/26/372629826.db2.gz FMFIYEACABBTIO-AAEUAGOBSA-N 3 1 236.363 1.108 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837785 372629834 /nfs/dbraw/zinc/62/98/34/372629834.db2.gz FMFIYEACABBTIO-AAEUAGOBSA-N 3 1 236.363 1.108 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000631838709 372634306 /nfs/dbraw/zinc/63/43/06/372634306.db2.gz TXUDBDPKQUAAEV-JQWIXIFHSA-N 2 1 205.305 1.108 10 0 BDAEMP COc1ccc(CC[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842785 372641790 /nfs/dbraw/zinc/64/17/90/372641790.db2.gz FSDDHOORHKTCAZ-OCCSQVGLSA-N 2 1 248.370 1.764 10 0 BDAEMP CCOCC[N@H+]1CCC[NH2+][C@H](C)CC1 ZINC000049662717 170398840 /nfs/dbraw/zinc/39/88/40/170398840.db2.gz JJPOFXSHEHPHLC-LLVKDONJSA-N 2 1 200.326 1.097 10 0 BDAEMP OCC[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000303741075 183093161 /nfs/dbraw/zinc/09/31/61/183093161.db2.gz GXEWQRDYGFKVRH-ZDUSSCGKSA-N 2 1 226.364 1.319 10 0 BDAEMP OC[C@@H](CCc1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000061625893 183104185 /nfs/dbraw/zinc/10/41/85/183104185.db2.gz DBEOSKFZZCRRTO-OAHLLOKOSA-N 2 1 248.370 1.275 10 0 BDAEMP OC[C@@H](CCc1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000061625893 183104187 /nfs/dbraw/zinc/10/41/87/183104187.db2.gz DBEOSKFZZCRRTO-OAHLLOKOSA-N 2 1 248.370 1.275 10 0 BDAEMP CCC[N@@H+]([C@@H]1CCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000037690833 169092237 /nfs/dbraw/zinc/09/22/37/169092237.db2.gz VUKUOEUJVSPLEC-OLZOCXBDSA-N 2 1 226.364 1.364 10 0 BDAEMP O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@]12CC[NH2+]C2 ZINC000096964514 183239146 /nfs/dbraw/zinc/23/91/46/183239146.db2.gz ROOKFJAPDXSMNG-GJZGRUSLSA-N 2 1 246.354 1.233 10 0 BDAEMP O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@]12CC[NH2+]C2 ZINC000096964514 183239149 /nfs/dbraw/zinc/23/91/49/183239149.db2.gz ROOKFJAPDXSMNG-GJZGRUSLSA-N 2 1 246.354 1.233 10 0 BDAEMP CCCN1CC[NH+]([C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037157879 169203142 /nfs/dbraw/zinc/20/31/42/169203142.db2.gz HLDHSCJGRDNIPD-QWHCGFSZSA-N 2 1 225.380 1.141 10 0 BDAEMP CCC[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000053659391 169257027 /nfs/dbraw/zinc/25/70/27/169257027.db2.gz XHZYMUQAVKOUTK-UHFFFAOYSA-N 2 1 227.396 1.260 10 0 BDAEMP CCC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](CC)CCO ZINC000053858513 169291052 /nfs/dbraw/zinc/29/10/52/169291052.db2.gz ZBQPPKUBDOXSCS-KBPBESRZSA-N 2 1 242.407 1.859 10 0 BDAEMP c1ccc2[nH+]c(NC3CC[NH2+]CC3)[nH]c2c1 ZINC000026898622 183435820 /nfs/dbraw/zinc/43/58/20/183435820.db2.gz CLPYDQPFQYNIDH-UHFFFAOYSA-N 2 1 216.288 1.727 10 0 BDAEMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CC)CCC[NH3+] ZINC000034960302 169368810 /nfs/dbraw/zinc/36/88/10/169368810.db2.gz VNOMUCMFNDXWQR-VXGBXAGGSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CC)CCC[NH3+] ZINC000034960302 169368811 /nfs/dbraw/zinc/36/88/11/169368811.db2.gz VNOMUCMFNDXWQR-VXGBXAGGSA-N 2 1 243.395 1.350 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1ccc[nH]1 ZINC000095068304 384329584 /nfs/dbraw/zinc/32/95/84/384329584.db2.gz BNGCEMOQZAFMLM-JBLDHEPKSA-N 2 1 207.321 1.935 10 0 BDAEMP Fc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1F ZINC000258940309 384952115 /nfs/dbraw/zinc/95/21/15/384952115.db2.gz QJDCTRHHLBWDTK-SNVBAGLBSA-N 2 1 226.270 1.664 10 0 BDAEMP Cc1cc[nH+]c(N(C)CC2CC[NH2+]CC2)c1 ZINC000086703944 385041286 /nfs/dbraw/zinc/04/12/86/385041286.db2.gz QKPVLURXFSONBZ-UHFFFAOYSA-N 2 1 219.332 1.826 10 0 BDAEMP C([C@@H]1CCCSC1)[N@H+]1CCC[NH2+]CC1 ZINC000258148518 385545296 /nfs/dbraw/zinc/54/52/96/385545296.db2.gz NCODKDSCCYBXHK-NSHDSACASA-N 2 1 214.378 1.425 10 0 BDAEMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000307152729 385662699 /nfs/dbraw/zinc/66/26/99/385662699.db2.gz AMKDIYGKYKBDCE-RKDXNWHRSA-N 2 1 204.264 1.373 10 0 BDAEMP [NH3+]Cc1occc1C[NH+]1CCSCC1 ZINC000052425568 385733603 /nfs/dbraw/zinc/73/36/03/385733603.db2.gz SWMUHEHFIZBGLK-UHFFFAOYSA-N 2 1 212.318 1.287 10 0 BDAEMP [NH3+]Cc1ccc(C[NH+]2CCSCC2)o1 ZINC000052425560 385733723 /nfs/dbraw/zinc/73/37/23/385733723.db2.gz SEFUISHOVVJPGQ-UHFFFAOYSA-N 2 1 212.318 1.287 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cncs1)C2 ZINC000309623482 385749771 /nfs/dbraw/zinc/74/97/71/385749771.db2.gz PORQOXCELUNBJB-SECBINFHSA-N 2 1 234.328 1.444 10 0 BDAEMP [NH3+][C@@]1(C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000575558064 386000132 /nfs/dbraw/zinc/00/01/32/386000132.db2.gz BEPUHVWLJSLTAU-AWEZNQCLSA-N 2 1 216.328 2.000 10 0 BDAEMP [NH3+][C@@]1(C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000575558064 386000141 /nfs/dbraw/zinc/00/01/41/386000141.db2.gz BEPUHVWLJSLTAU-AWEZNQCLSA-N 2 1 216.328 2.000 10 0 BDAEMP CC1(C)CS[C@@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575575830 386183910 /nfs/dbraw/zinc/18/39/10/386183910.db2.gz NTHVOJRFQWMMQG-SNVBAGLBSA-N 2 1 200.351 1.571 10 0 BDAEMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@H](C)O)CC1 ZINC000414702088 386208277 /nfs/dbraw/zinc/20/82/77/386208277.db2.gz WWLXLNZSXFCSDW-DGCLKSJQSA-N 2 1 228.380 1.453 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(O)CCCC2)C1 ZINC000336666434 386293093 /nfs/dbraw/zinc/29/30/93/386293093.db2.gz GGBZFZRKLREURN-LBPRGKRZSA-N 2 1 226.364 1.175 10 0 BDAEMP CC[C@H](COC)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396540499 386773154 /nfs/dbraw/zinc/77/31/54/386773154.db2.gz AIYOKZYJQVZLJU-AXFHLTTASA-N 2 1 200.326 1.142 10 0 BDAEMP CC1C[NH+]([C@@]2(C[NH3+])CCS[C@@H]2C)C1 ZINC000575462951 387041761 /nfs/dbraw/zinc/04/17/61/387041761.db2.gz QMQWYOOWRFRSIG-NXEZZACHSA-N 2 1 200.351 1.161 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CCO)C1 ZINC000228349670 387083582 /nfs/dbraw/zinc/08/35/82/387083582.db2.gz JQRICNAUWKGZMH-KBPBESRZSA-N 2 1 240.391 1.565 10 0 BDAEMP COc1cc(F)c([C@H]([NH3+])CC[NH3+])c(F)c1 ZINC000575439925 387125927 /nfs/dbraw/zinc/12/59/27/387125927.db2.gz YBQOJQPFOGWGDH-SECBINFHSA-N 2 1 216.231 1.322 10 0 BDAEMP C[C@@H]1CC[N@@H+]1C1(C[NH3+])CCSCC1 ZINC000575591136 387203995 /nfs/dbraw/zinc/20/39/95/387203995.db2.gz MBUMJGJCHSQYKR-SECBINFHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CC[N@H+]1C1(C[NH3+])CCSCC1 ZINC000575591136 387204001 /nfs/dbraw/zinc/20/40/01/387204001.db2.gz MBUMJGJCHSQYKR-SECBINFHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CSC[C@H]1C ZINC000575592980 387222611 /nfs/dbraw/zinc/22/26/11/387222611.db2.gz ZLKKSUPHWCQMDX-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CSC[C@H]1C ZINC000575592980 387222614 /nfs/dbraw/zinc/22/26/14/387222614.db2.gz ZLKKSUPHWCQMDX-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[C@@H]1CS[C@@]2(CC[NH2+][C@H](C)C2)[NH2+]1 ZINC000575511533 387382359 /nfs/dbraw/zinc/38/23/59/387382359.db2.gz FQUFPUKVWBSGLK-OPRDCNLKSA-N 2 1 200.351 1.570 10 0 BDAEMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[C@H]1O ZINC000352669584 387431895 /nfs/dbraw/zinc/43/18/95/387431895.db2.gz BBJDJFMQACOZJA-HZSPNIEDSA-N 2 1 240.391 1.706 10 0 BDAEMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[C@H]1O ZINC000352669584 387431899 /nfs/dbraw/zinc/43/18/99/387431899.db2.gz BBJDJFMQACOZJA-HZSPNIEDSA-N 2 1 240.391 1.706 10 0 BDAEMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCC[C@H]1O ZINC000352669584 387431903 /nfs/dbraw/zinc/43/19/03/387431903.db2.gz BBJDJFMQACOZJA-HZSPNIEDSA-N 2 1 240.391 1.706 10 0 BDAEMP C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643454660 387385381 /nfs/dbraw/zinc/38/53/81/387385381.db2.gz LDXCZWQCGPSSJG-XQQFMLRXSA-N 2 1 237.391 1.201 10 0 BDAEMP C[C@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643454660 387385385 /nfs/dbraw/zinc/38/53/85/387385385.db2.gz LDXCZWQCGPSSJG-XQQFMLRXSA-N 2 1 237.391 1.201 10 0 BDAEMP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000300409711 387520164 /nfs/dbraw/zinc/52/01/64/387520164.db2.gz NSCJJIJRVKNILN-KGLIPLIRSA-N 2 1 248.374 1.408 10 0 BDAEMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](N)C2)CS1 ZINC000575535751 387577032 /nfs/dbraw/zinc/57/70/32/387577032.db2.gz ZRWDBFCCARPHJV-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CS1 ZINC000575535751 387577034 /nfs/dbraw/zinc/57/70/34/387577034.db2.gz ZRWDBFCCARPHJV-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CS1 ZINC000575535751 387577042 /nfs/dbraw/zinc/57/70/42/387577042.db2.gz ZRWDBFCCARPHJV-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422839621 387729508 /nfs/dbraw/zinc/72/95/08/387729508.db2.gz QWVWDGJRQDMABL-BFHYXJOUSA-N 3 1 239.407 1.591 10 0 BDAEMP CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422972459 387821375 /nfs/dbraw/zinc/82/13/75/387821375.db2.gz LRDTVWHCKMXJNO-MGPQQGTHSA-N 2 1 239.407 1.306 10 0 BDAEMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422972459 387821378 /nfs/dbraw/zinc/82/13/78/387821378.db2.gz LRDTVWHCKMXJNO-MGPQQGTHSA-N 3 1 239.407 1.306 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422972459 387821382 /nfs/dbraw/zinc/82/13/82/387821382.db2.gz LRDTVWHCKMXJNO-MGPQQGTHSA-N 3 1 239.407 1.306 10 0 BDAEMP C1CCC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCO[C@@H]12 ZINC000423033603 387849074 /nfs/dbraw/zinc/84/90/74/387849074.db2.gz XEDDERFOHLEGNT-LPWJVIDDSA-N 2 1 236.359 1.286 10 0 BDAEMP C[N@@H+]1C[C@H]2CN(CCc3ccccn3)C[C@H]2C1 ZINC000193645119 387860532 /nfs/dbraw/zinc/86/05/32/387860532.db2.gz DWRVRPNVMQPPPO-BETUJISGSA-N 2 1 231.343 1.118 10 0 BDAEMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccccn3)C[C@@H]2C1 ZINC000193645119 387860537 /nfs/dbraw/zinc/86/05/37/387860537.db2.gz DWRVRPNVMQPPPO-BETUJISGSA-N 2 1 231.343 1.118 10 0 BDAEMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccccn3)C[C@@H]2C1 ZINC000193645119 387860542 /nfs/dbraw/zinc/86/05/42/387860542.db2.gz DWRVRPNVMQPPPO-BETUJISGSA-N 2 1 231.343 1.118 10 0 BDAEMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364374069 388564146 /nfs/dbraw/zinc/56/41/46/388564146.db2.gz IYJXVTFYZMNGJV-MWLCHTKSSA-N 2 1 205.305 1.586 10 0 BDAEMP C[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@@H+]1C/C=C/Cl ZINC000253630842 388622287 /nfs/dbraw/zinc/62/22/87/388622287.db2.gz MARYJQRKVKWCEV-DVJRZTGRSA-N 2 1 200.713 1.279 10 0 BDAEMP C[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@H+]1C/C=C/Cl ZINC000253630842 388622290 /nfs/dbraw/zinc/62/22/90/388622290.db2.gz MARYJQRKVKWCEV-DVJRZTGRSA-N 2 1 200.713 1.279 10 0 BDAEMP Cc1c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cnn1C ZINC000093650196 388845737 /nfs/dbraw/zinc/84/57/37/388845737.db2.gz LSJOTLMACFGLSW-GFCCVEGCSA-N 2 1 236.363 1.160 10 0 BDAEMP Cc1c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cnn1C ZINC000093650196 388845742 /nfs/dbraw/zinc/84/57/42/388845742.db2.gz LSJOTLMACFGLSW-GFCCVEGCSA-N 2 1 236.363 1.160 10 0 BDAEMP C[C@@H]1C[C@]2(CC[NH2+]1)[NH2+]C(C)(C)CS2 ZINC000575511823 389010003 /nfs/dbraw/zinc/01/00/03/389010003.db2.gz JQUUOTHALADLAD-PSASIEDQSA-N 2 1 200.351 1.570 10 0 BDAEMP CN1c2ccccc2[C@@H]([NH2+]CCC[NH3+])CC1=O ZINC000037713861 132345116 /nfs/dbraw/zinc/34/51/16/132345116.db2.gz RHYYXOVEDXBLCG-NSHDSACASA-N 2 1 233.315 1.033 10 0 BDAEMP C[NH2+]C[C@@H]1CCCN(c2[nH+]cccc2C)C1 ZINC000051041275 132359695 /nfs/dbraw/zinc/35/96/95/132359695.db2.gz XTSCBLZOSAHTMX-LBPRGKRZSA-N 2 1 219.332 1.826 10 0 BDAEMP Cc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000235340715 132391573 /nfs/dbraw/zinc/39/15/73/132391573.db2.gz HPLSNLGPRFGDEA-BXKDBHETSA-N 2 1 234.347 1.657 10 0 BDAEMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000223865406 134343176 /nfs/dbraw/zinc/34/31/76/134343176.db2.gz OEIBJNPWABBFFY-JSGCOSHPSA-N 2 1 240.391 1.611 10 0 BDAEMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000250865836 135060465 /nfs/dbraw/zinc/06/04/65/135060465.db2.gz RGSLMZHXXZBMPB-UONOGXRCSA-N 2 1 238.375 1.629 10 0 BDAEMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000250865836 135060467 /nfs/dbraw/zinc/06/04/67/135060467.db2.gz RGSLMZHXXZBMPB-UONOGXRCSA-N 2 1 238.375 1.629 10 0 BDAEMP Cc1cccc(N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC000257750865 135141777 /nfs/dbraw/zinc/14/17/77/135141777.db2.gz UTJCRXJNSYCOJL-CQSZACIVSA-N 2 1 231.343 1.970 10 0 BDAEMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261553899 135194030 /nfs/dbraw/zinc/19/40/30/135194030.db2.gz OLTJQSZDFQZFEP-GFCCVEGCSA-N 2 1 237.347 1.851 10 0 BDAEMP Cc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261553899 135194032 /nfs/dbraw/zinc/19/40/32/135194032.db2.gz OLTJQSZDFQZFEP-GFCCVEGCSA-N 2 1 237.347 1.851 10 0 BDAEMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261582402 135223566 /nfs/dbraw/zinc/22/35/66/135223566.db2.gz RDQUMQPTINBFQJ-VGMNWLOBSA-N 2 1 248.330 1.243 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1[C@H]1CCS[C@H]1C ZINC000575592406 397991045 /nfs/dbraw/zinc/99/10/45/397991045.db2.gz RLPISWKGEPOMSZ-RGOKHQFPSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1[C@H]1CCS[C@H]1C ZINC000575592406 397991048 /nfs/dbraw/zinc/99/10/48/397991048.db2.gz RLPISWKGEPOMSZ-RGOKHQFPSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396644432 398112866 /nfs/dbraw/zinc/11/28/66/398112866.db2.gz BWGNRIDTRPQVHH-IJLUTSLNSA-N 2 1 222.336 1.002 10 0 BDAEMP CCc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)nc(C)[nH+]1 ZINC000389706697 398125359 /nfs/dbraw/zinc/12/53/59/398125359.db2.gz OKJCXHNHPXBVHF-JOYOIKCWSA-N 2 1 234.347 1.757 10 0 BDAEMP CC(C)[NH2+]CCCC[N@H+]1CCC[C@H]1CN(C)C ZINC000061652444 167103075 /nfs/dbraw/zinc/10/30/75/167103075.db2.gz LWBNTXDLRUISOS-AWEZNQCLSA-N 2 1 241.423 1.791 10 0 BDAEMP CC(C)[NH2+]C[C@@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607055 167111543 /nfs/dbraw/zinc/11/15/43/167111543.db2.gz PWJFATGANZLGAN-BFHYXJOUSA-N 2 1 242.407 1.856 10 0 BDAEMP COc1ccc(C)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258838473 322878415 /nfs/dbraw/zinc/87/84/15/322878415.db2.gz GUZWXWCSNIWSMV-LBPRGKRZSA-N 2 1 234.343 1.703 10 0 BDAEMP CC(C)OCC[N@@H+]1CC[NH2+]CC[C@H]1C ZINC000062568763 167233754 /nfs/dbraw/zinc/23/37/54/167233754.db2.gz VXNADVNRGKLKFV-LLVKDONJSA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)OCC[N@H+]1CC[NH2+]CC[C@H]1C ZINC000062568763 167233756 /nfs/dbraw/zinc/23/37/56/167233756.db2.gz VXNADVNRGKLKFV-LLVKDONJSA-N 2 1 200.326 1.095 10 0 BDAEMP CO[C@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266535 409567010 /nfs/dbraw/zinc/56/70/10/409567010.db2.gz IDGPJHNQIJZBLF-UONOGXRCSA-N 2 1 240.391 1.875 10 0 BDAEMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000665274083 410743975 /nfs/dbraw/zinc/74/39/75/410743975.db2.gz JKSPTKRLEWKOFV-MCIONIFRSA-N 2 1 239.407 1.448 10 0 BDAEMP CCCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000665274083 410743981 /nfs/dbraw/zinc/74/39/81/410743981.db2.gz JKSPTKRLEWKOFV-MCIONIFRSA-N 2 1 239.407 1.448 10 0 BDAEMP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@@H]1CCCO1 ZINC000401712674 411299367 /nfs/dbraw/zinc/29/93/67/411299367.db2.gz FNANWURRNNPLCP-YFKTTZPYSA-N 2 1 212.337 1.142 10 0 BDAEMP C[C@@H]1C[C@@H](O)C[N@@H+](CCCc2cncn2C)C1 ZINC000401832480 411347486 /nfs/dbraw/zinc/34/74/86/411347486.db2.gz MUTSUCITRGHWPL-DGCLKSJQSA-N 2 1 237.347 1.055 10 0 BDAEMP CCC(C)(C)NC(=O)C[N@H+](CCC[NH3+])C(C)C ZINC000049281633 168290103 /nfs/dbraw/zinc/29/01/03/168290103.db2.gz IDXWYZRGVZZNSC-UHFFFAOYSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC(C)(C)NC(=O)C[N@@H+](CCC[NH3+])C(C)C ZINC000049281633 168290106 /nfs/dbraw/zinc/29/01/06/168290106.db2.gz IDXWYZRGVZZNSC-UHFFFAOYSA-N 2 1 243.395 1.350 10 0 BDAEMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000328277856 170022935 /nfs/dbraw/zinc/02/29/35/170022935.db2.gz RDAVQLVGTWHWMT-AVGNSLFASA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000328277856 170022936 /nfs/dbraw/zinc/02/29/36/170022936.db2.gz RDAVQLVGTWHWMT-AVGNSLFASA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000328277856 170022937 /nfs/dbraw/zinc/02/29/37/170022937.db2.gz RDAVQLVGTWHWMT-AVGNSLFASA-N 2 1 225.380 1.153 10 0 BDAEMP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000309986105 170029313 /nfs/dbraw/zinc/02/93/13/170029313.db2.gz YHPQBIKCNDFTJL-YPMHNXCESA-N 2 1 225.380 1.010 10 0 BDAEMP CC[C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000049666472 171010799 /nfs/dbraw/zinc/01/07/99/171010799.db2.gz QTKNALSTOWCDPF-ZIAGYGMSSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000049667028 171015170 /nfs/dbraw/zinc/01/51/70/171015170.db2.gz IDMHKKUTRCTIRH-ZIAGYGMSSA-N 2 1 239.407 1.545 10 0 BDAEMP CC[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000049667028 171015172 /nfs/dbraw/zinc/01/51/72/171015172.db2.gz IDMHKKUTRCTIRH-ZIAGYGMSSA-N 2 1 239.407 1.545 10 0 BDAEMP CC[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000049667028 171015174 /nfs/dbraw/zinc/01/51/74/171015174.db2.gz IDMHKKUTRCTIRH-ZIAGYGMSSA-N 2 1 239.407 1.545 10 0 BDAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2CCC[C@@H]2CO)C1 ZINC000053875958 171056084 /nfs/dbraw/zinc/05/60/84/171056084.db2.gz XLUSVOGKJYOYPA-RQJABVFESA-N 2 1 240.391 1.597 10 0 BDAEMP CC[C@H](C)NC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C[NH3+] ZINC000042442793 171333495 /nfs/dbraw/zinc/33/34/95/171333495.db2.gz HCNLNPCWDAHBKL-SRVKXCTJSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C[NH3+] ZINC000042442793 171333496 /nfs/dbraw/zinc/33/34/96/171333496.db2.gz HCNLNPCWDAHBKL-SRVKXCTJSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[C@H]1CN(CC(CC)(CC)C[NH3+])CC[N@H+]1C ZINC000104134983 171656090 /nfs/dbraw/zinc/65/60/90/171656090.db2.gz VJLDWXJOHGCEQZ-ZDUSSCGKSA-N 2 1 241.423 1.778 10 0 BDAEMP CCc1nc(NCC23CC(C2)C[NH2+]3)cc(C)[nH+]1 ZINC000663273807 412404500 /nfs/dbraw/zinc/40/45/00/412404500.db2.gz JLPVUJTXTVIAOR-UHFFFAOYSA-N 2 1 232.331 1.511 10 0 BDAEMP CCn1cc[nH+]c1N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000053712656 172225731 /nfs/dbraw/zinc/22/57/31/172225731.db2.gz JEYSSMNYLGBSIN-UWVGGRQHSA-N 2 1 208.309 1.090 10 0 BDAEMP CCn1cc[nH+]c1N1CCC[C@H]1C[NH2+]C ZINC000053703920 172226311 /nfs/dbraw/zinc/22/63/11/172226311.db2.gz BMVNCDVESGZLNW-JTQLQIEISA-N 2 1 208.309 1.091 10 0 BDAEMP CCn1cc[nH+]c1N1CCC[C@@H](C[NH3+])C1 ZINC000050614396 172226864 /nfs/dbraw/zinc/22/68/64/172226864.db2.gz JVKPOHYQEOOHST-JTQLQIEISA-N 2 1 208.309 1.078 10 0 BDAEMP C[N@H+]1CC[C@](C[NH3+])(N2CCC(C)(C)CC2)C1 ZINC000061990821 173163041 /nfs/dbraw/zinc/16/30/41/173163041.db2.gz LJOVPSMUWABSLN-CYBMUJFWSA-N 2 1 225.380 1.141 10 0 BDAEMP C[NH2+]CCCCC[NH+]1CCN(C(C)(C)C)CC1 ZINC000052571676 173345475 /nfs/dbraw/zinc/34/54/75/173345475.db2.gz OZUHHJCMAQOENG-UHFFFAOYSA-N 2 1 241.423 1.792 10 0 BDAEMP C[NH2+]C[C@@H]1CC[C@@H](Cn2c[nH+]c(C)c2C)O1 ZINC000052593689 173371925 /nfs/dbraw/zinc/37/19/25/173371925.db2.gz HIQAXJUQAXXJAQ-RYUDHWBXSA-N 2 1 223.320 1.267 10 0 BDAEMP C[NH2+]C[C@H](C)C[NH+]1Cc2ccccc2C1 ZINC000052374277 173375337 /nfs/dbraw/zinc/37/53/37/173375337.db2.gz KEJWYBAIAGCGJW-NSHDSACASA-N 2 1 204.317 1.858 10 0 BDAEMP C[NH2+]C[C@H](C)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543403 173375683 /nfs/dbraw/zinc/37/56/83/173375683.db2.gz DTMYHOCCMBCDHW-WDEREUQCSA-N 2 1 214.353 1.341 10 0 BDAEMP C[NH2+]C[C@H](C)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543403 173375685 /nfs/dbraw/zinc/37/56/85/173375685.db2.gz DTMYHOCCMBCDHW-WDEREUQCSA-N 2 1 214.353 1.341 10 0 BDAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420846 173382878 /nfs/dbraw/zinc/38/28/78/173382878.db2.gz IDGHITJXJVBSRY-RQJABVFESA-N 2 1 240.391 1.731 10 0 BDAEMP C[NH2+]Cc1ccc(OCC[N@@H+](C)C2CC2)cc1 ZINC000052445391 173389145 /nfs/dbraw/zinc/38/91/45/173389145.db2.gz HHXWPFXWVATJSM-UHFFFAOYSA-N 2 1 234.343 1.879 10 0 BDAEMP C[NH2+]Cc1nc(C[N@@H+]2CC[C@H](C)C2)cs1 ZINC000052484257 173394446 /nfs/dbraw/zinc/39/44/46/173394446.db2.gz NSDFFNMLJORVLU-VIFPVBQESA-N 2 1 225.361 1.704 10 0 BDAEMP C[NH2+]Cc1nc(C[N@H+]2CC[C@H](C)C2)cs1 ZINC000052484257 173394448 /nfs/dbraw/zinc/39/44/48/173394448.db2.gz NSDFFNMLJORVLU-VIFPVBQESA-N 2 1 225.361 1.704 10 0 BDAEMP COC1CC[NH+](C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000037266045 174028876 /nfs/dbraw/zinc/02/88/76/174028876.db2.gz CLTRYWWBXGCUCM-LLVKDONJSA-N 2 1 214.353 1.471 10 0 BDAEMP COCCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000031994544 174230737 /nfs/dbraw/zinc/23/07/37/174230737.db2.gz YWOVKUMHWPADDD-CYBMUJFWSA-N 2 1 226.364 1.489 10 0 BDAEMP COCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036908253 174251218 /nfs/dbraw/zinc/25/12/18/174251218.db2.gz RUCONMVFPSLODG-UTUOFQBUSA-N 2 1 214.353 1.341 10 0 BDAEMP COCC[N@@H+](C[C@](C)([NH3+])C1CC1)[C@@H](C)C1CC1 ZINC000042689297 174297613 /nfs/dbraw/zinc/29/76/13/174297613.db2.gz AYBXCOXNVAADKH-FZMZJTMJSA-N 2 1 240.391 1.861 10 0 BDAEMP COc1ccc(CC[N@@H+](C)C[C@@H](C)C[NH3+])cc1 ZINC000049828325 175089617 /nfs/dbraw/zinc/08/96/17/175089617.db2.gz BYTYJGKLLPBJSV-LBPRGKRZSA-N 2 1 236.359 1.764 10 0 BDAEMP C[C@@H](c1cccc(O)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245126 176018960 /nfs/dbraw/zinc/01/89/60/176018960.db2.gz GZHJSHXTQHOXOR-WDEREUQCSA-N 2 1 220.316 1.734 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1CCCN1CC[C@H](C[NH3+])C1 ZINC000034651136 176070707 /nfs/dbraw/zinc/07/07/07/176070707.db2.gz MPYGIXBIYDOPJC-ZIAGYGMSSA-N 2 1 239.407 1.532 10 0 BDAEMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000044510698 176169869 /nfs/dbraw/zinc/16/98/69/176169869.db2.gz MQACKZGAGONALR-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000049662851 176172519 /nfs/dbraw/zinc/17/25/19/176172519.db2.gz KXRQTRXEQGXHMG-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2C[NH3+])C1 ZINC000040716986 176175811 /nfs/dbraw/zinc/17/58/11/176175811.db2.gz KBPWMDGJPZUJOH-LLVKDONJSA-N 2 1 204.317 1.987 10 0 BDAEMP C[C@@H]1C[N@@H+](C2(C[NH3+])CCSCC2)CCCO1 ZINC000061916064 176280217 /nfs/dbraw/zinc/28/02/17/176280217.db2.gz CIBKUZYSRRIFCR-LLVKDONJSA-N 2 1 244.404 1.322 10 0 BDAEMP C[C@@H]1C[N@H+](C2(C[NH3+])CCSCC2)CCCO1 ZINC000061916064 176280218 /nfs/dbraw/zinc/28/02/18/176280218.db2.gz CIBKUZYSRRIFCR-LLVKDONJSA-N 2 1 244.404 1.322 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2CCC([NH3+])CC2)CCCO1 ZINC000061934579 176286144 /nfs/dbraw/zinc/28/61/44/176286144.db2.gz ZBINNIGQRMWLTQ-PNESKVBLSA-N 2 1 226.364 1.615 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])CCN1C ZINC000104143117 176297719 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C[C@@H]1C[NH2+]CC[N@H+](CCc2ccccn2)C1 ZINC000049662118 176325129 /nfs/dbraw/zinc/32/51/29/176325129.db2.gz XCNZOJHFCRAMPO-GFCCVEGCSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@@H]1C[NH2+]CC[N@@H+](CCc2ccccn2)C1 ZINC000049662118 176325132 /nfs/dbraw/zinc/32/51/32/176325132.db2.gz XCNZOJHFCRAMPO-GFCCVEGCSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@@H]1C[NH2+]CC[N@H+](CCc2cccnc2)C1 ZINC000049662247 176326014 /nfs/dbraw/zinc/32/60/14/176326014.db2.gz BRTIFNOEAXPIQN-GFCCVEGCSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@@H]1C[NH2+]CC[N@@H+](CCc2cccnc2)C1 ZINC000049662247 176326015 /nfs/dbraw/zinc/32/60/15/176326015.db2.gz BRTIFNOEAXPIQN-GFCCVEGCSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061275854 177160682 /nfs/dbraw/zinc/16/06/82/177160682.db2.gz RFYPSMLKLVNQRQ-UONOGXRCSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@H]1CC[N@@H+](CCc2ccco2)CCC[NH2+]1 ZINC000049667368 177162166 /nfs/dbraw/zinc/16/21/66/177162166.db2.gz WGJMSNBEEPGDBR-LBPRGKRZSA-N 2 1 222.332 1.896 10 0 BDAEMP 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CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)N(C)C ZINC000400350161 528532030 /nfs/dbraw/zinc/53/20/30/528532030.db2.gz JRFYCFGKHUAAIM-MELADBBJSA-N 2 1 241.423 1.550 10 0 BDAEMP CCc1nc(N[C@@H](CC[NH3+])C(F)F)cc(C)[nH+]1 ZINC000394828993 323085795 /nfs/dbraw/zinc/08/57/95/323085795.db2.gz YTPQCZGVKQYTIT-QMMMGPOBSA-N 2 1 244.289 1.164 10 0 BDAEMP CC(C)(C)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000309012823 487977048 /nfs/dbraw/zinc/97/70/48/487977048.db2.gz SMPMNFQGDFUPST-UHFFFAOYSA-N 2 1 214.353 1.079 10 0 BDAEMP Cc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc(C)[nH+]1 ZINC000257752421 488087120 /nfs/dbraw/zinc/08/71/20/488087120.db2.gz VGFBBVMMQCWKHZ-AWEZNQCLSA-N 2 1 246.358 1.673 10 0 BDAEMP CC(C)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389902640 488124074 /nfs/dbraw/zinc/12/40/74/488124074.db2.gz FBEPBYRKSBOKBF-RWMBFGLXSA-N 2 1 210.365 1.962 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000310734553 487482825 /nfs/dbraw/zinc/48/28/25/487482825.db2.gz DEKXFUFRLPNPRQ-MBNYWOFBSA-N 2 1 246.354 1.974 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000310734553 487482827 /nfs/dbraw/zinc/48/28/27/487482827.db2.gz DEKXFUFRLPNPRQ-MBNYWOFBSA-N 2 1 246.354 1.974 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]12 ZINC000662266577 487504033 /nfs/dbraw/zinc/50/40/33/487504033.db2.gz NFBAHLQUPCDFOJ-BUCHIQEDSA-N 2 1 220.360 1.702 10 0 BDAEMP Fc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1F ZINC000398381715 488216415 /nfs/dbraw/zinc/21/64/15/488216415.db2.gz UUNHMOAVVKQEPN-VIFPVBQESA-N 2 1 226.270 1.664 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC3CCC3)C[C@@H]12 ZINC000398732790 488223881 /nfs/dbraw/zinc/22/38/81/488223881.db2.gz SXSIOKKNBZWESI-YNEHKIRRSA-N 2 1 208.349 1.846 10 0 BDAEMP COC[C@@H](C)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757129277 582504879 /nfs/dbraw/zinc/50/48/79/582504879.db2.gz LAYRDXDLGLKRDM-STQMWFEESA-N 2 1 226.364 1.487 10 0 BDAEMP COCC[C@@H](C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757133353 582509544 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C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823123 536414572 /nfs/dbraw/zinc/41/45/72/536414572.db2.gz QRFLDTMKYYXGQU-VXGBXAGGSA-N 2 1 228.380 1.277 10 0 BDAEMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070823123 536414573 /nfs/dbraw/zinc/41/45/73/536414573.db2.gz QRFLDTMKYYXGQU-VXGBXAGGSA-N 2 1 228.380 1.277 10 0 BDAEMP C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@H]1CC[NH+](C)C1 ZINC000250708672 536415644 /nfs/dbraw/zinc/41/56/44/536415644.db2.gz QRFLDTMKYYXGQU-NWDGAFQWSA-N 2 1 228.380 1.277 10 0 BDAEMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@H]1CC[N@H+](C)C1 ZINC000250708672 536415648 /nfs/dbraw/zinc/41/56/48/536415648.db2.gz QRFLDTMKYYXGQU-NWDGAFQWSA-N 2 1 228.380 1.277 10 0 BDAEMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@H]1CC[N@@H+](C)C1 ZINC000250708672 536415650 /nfs/dbraw/zinc/41/56/50/536415650.db2.gz QRFLDTMKYYXGQU-NWDGAFQWSA-N 2 1 228.380 1.277 10 0 BDAEMP COCC[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757128134 582502612 /nfs/dbraw/zinc/50/26/12/582502612.db2.gz IYJPTKYWGGZPFC-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP COCC[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757128134 582502614 /nfs/dbraw/zinc/50/26/14/582502614.db2.gz IYJPTKYWGGZPFC-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP COCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757130882 582504911 /nfs/dbraw/zinc/50/49/11/582504911.db2.gz OKFGBVQXBQCOFL-STQMWFEESA-N 2 1 226.364 1.487 10 0 BDAEMP CCC[C@@H]1CCO[C@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757147722 582531369 /nfs/dbraw/zinc/53/13/69/582531369.db2.gz SQPNYSHFLRQLME-OLZOCXBDSA-N 2 1 226.364 1.977 10 0 BDAEMP C[C@@H]1C[C@H](C)OC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757148684 582532263 /nfs/dbraw/zinc/53/22/63/582532263.db2.gz NTBPWAOMGBHVDV-MNOVXSKESA-N 2 1 224.348 1.728 10 0 BDAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CC1(C)C ZINC000399010505 583169127 /nfs/dbraw/zinc/16/91/27/583169127.db2.gz XGWUINMBPNRTOT-AAEUAGOBSA-N 2 1 240.391 1.467 10 0 BDAEMP CC(C)(C)[C@H]1CCOC2(CC[NH2+]CC2)[NH2+]1 ZINC000757139719 586427547 /nfs/dbraw/zinc/42/75/47/586427547.db2.gz JJDUQTAUMZMEQS-SNVBAGLBSA-N 2 1 212.337 1.491 10 0 BDAEMP [NH3+][C@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757213631 586439851 /nfs/dbraw/zinc/43/98/51/586439851.db2.gz LGBOEFDMKBOAFS-JQWIXIFHSA-N 2 1 215.300 1.920 10 0 BDAEMP [NH3+][C@@H]1CC[NH2+][C@H](c2ccc(C=O)s2)C1 ZINC000757215287 586440876 /nfs/dbraw/zinc/44/08/76/586440876.db2.gz NLCKDAXOUJFWFQ-APPZFPTMSA-N 2 1 210.302 1.312 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1ccc(C[NH3+])cc1 ZINC000757217274 586441616 /nfs/dbraw/zinc/44/16/16/586441616.db2.gz RUXMKWVVDLFNNQ-ICCXJUOJSA-N 3 1 219.332 1.143 10 0 BDAEMP N[C@H]1CCC[NH2+][C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757231401 586443066 /nfs/dbraw/zinc/44/30/66/586443066.db2.gz HRTBSQRFHITOCN-LSDHHAIUSA-N 2 1 245.370 1.775 10 0 BDAEMP C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250377966 635470064 /nfs/dbraw/zinc/47/00/64/635470064.db2.gz IRFPNBAPLVTDPV-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@H]([NH3+])CC(F)F ZINC000310308006 635593713 /nfs/dbraw/zinc/59/37/13/635593713.db2.gz SHIOIPLNHGXALU-MNOVXSKESA-N 2 1 249.349 1.385 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000250827185 635498035 /nfs/dbraw/zinc/49/80/35/635498035.db2.gz YIGJNWGQFWEZSG-FPMFFAJLSA-N 2 1 216.328 1.823 10 0 BDAEMP [NH3+]CCCCCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227380098 640830859 /nfs/dbraw/zinc/83/08/59/640830859.db2.gz LCFVHNSBZRBXTL-CQSZACIVSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CCCCCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000227380098 640830861 /nfs/dbraw/zinc/83/08/61/640830861.db2.gz LCFVHNSBZRBXTL-CQSZACIVSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CCCCCC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000227380098 640830869 /nfs/dbraw/zinc/83/08/69/640830869.db2.gz LCFVHNSBZRBXTL-CQSZACIVSA-N 2 1 239.407 1.676 10 0 BDAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000227650122 640844148 /nfs/dbraw/zinc/84/41/48/640844148.db2.gz GPMYQYDMYDTXTA-BFHYXJOUSA-N 2 1 237.391 1.297 10 0 BDAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000227734836 640846495 /nfs/dbraw/zinc/84/64/95/640846495.db2.gz CBDSYINWUZJDLA-NWDGAFQWSA-N 2 1 214.353 1.471 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000250711199 643376505 /nfs/dbraw/zinc/37/65/05/643376505.db2.gz GDALKSOWTBQEFA-VXGBXAGGSA-N 2 1 212.337 1.097 10 0 BDAEMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000074143550 644265784 /nfs/dbraw/zinc/26/57/84/644265784.db2.gz IRCGTRALIPHMPV-NEPJUHHUSA-N 2 1 212.337 1.369 10 0 BDAEMP C[C@]1(CN2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000094462567 644719290 /nfs/dbraw/zinc/71/92/90/644719290.db2.gz UVJJYZYMMWUAPY-KGLIPLIRSA-N 2 1 237.391 1.156 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000251636273 644815827 /nfs/dbraw/zinc/81/58/27/644815827.db2.gz FRLNITWAGUQXFM-WOPDTQHZSA-N 2 1 212.337 1.082 10 0 BDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCCCCC[NH3+] ZINC000251672063 644816708 /nfs/dbraw/zinc/81/67/08/644816708.db2.gz HKRCMNHIVNFQBK-KGLIPLIRSA-N 2 1 239.407 1.674 10 0 BDAEMP CC(C)OC[C@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252682722 644878492 /nfs/dbraw/zinc/87/84/92/644878492.db2.gz COQROLKSQMNNLO-OLZOCXBDSA-N 2 1 246.395 1.078 10 0 BDAEMP Cc1c(C[NH2+]CC[C@@H](C)[NH+](C)C)cnn1C ZINC000700562134 711846873 /nfs/dbraw/zinc/84/68/73/711846873.db2.gz ACWWHXBHWUJPDJ-SNVBAGLBSA-N 2 1 224.352 1.158 10 0 BDAEMP COCC1CC([NH2+]C2CC[NH+](C)CC2)C1 ZINC000713996098 712477164 /nfs/dbraw/zinc/47/71/64/712477164.db2.gz PPUIKTXOTSYOGK-UHFFFAOYSA-N 2 1 212.337 1.095 10 0 BDAEMP CC1(C)C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCS1 ZINC000725662017 711668812 /nfs/dbraw/zinc/66/88/12/711668812.db2.gz RXKXRHMHBZEZSW-UWVGGRQHSA-N 2 1 214.378 1.612 10 0 BDAEMP CC[C@](C)(O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705669947 712134746 /nfs/dbraw/zinc/13/47/46/712134746.db2.gz MXFNYIXEAQFTPJ-MCIONIFRSA-N 2 1 240.391 1.421 10 0 BDAEMP CN1C[C@]2(C)C[N@H+]([C@@H]3CCC[C@H]3O)C[C@]2(C)C1 ZINC000705672650 712135374 /nfs/dbraw/zinc/13/53/74/712135374.db2.gz UKXZTOHFZAZIEP-SYQHCUMBSA-N 2 1 238.375 1.173 10 0 BDAEMP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3CCC[C@H]3O)C[C@]2(C)C1 ZINC000705672650 712135375 /nfs/dbraw/zinc/13/53/75/712135375.db2.gz UKXZTOHFZAZIEP-SYQHCUMBSA-N 2 1 238.375 1.173 10 0 BDAEMP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3CCC[C@H]3O)C[C@]2(C)C1 ZINC000705672650 712135376 /nfs/dbraw/zinc/13/53/76/712135376.db2.gz UKXZTOHFZAZIEP-SYQHCUMBSA-N 2 1 238.375 1.173 10 0 BDAEMP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3CCC[C@H]3O)C[C@]2(C)C1 ZINC000705672650 712135377 /nfs/dbraw/zinc/13/53/77/712135377.db2.gz UKXZTOHFZAZIEP-SYQHCUMBSA-N 2 1 238.375 1.173 10 0 BDAEMP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3CCC[C@H]3O)C[C@]2(C)C1 ZINC000705672650 712135378 /nfs/dbraw/zinc/13/53/78/712135378.db2.gz UKXZTOHFZAZIEP-SYQHCUMBSA-N 2 1 238.375 1.173 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000708813953 712199385 /nfs/dbraw/zinc/19/93/85/712199385.db2.gz GMZYKURPMVGZOP-KWCYVHTRSA-N 2 1 234.343 1.247 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000708861258 712201147 /nfs/dbraw/zinc/20/11/47/712201147.db2.gz GKFJXWDIRRPLME-NWDGAFQWSA-N 2 1 214.353 1.066 10 0 BDAEMP Cn1c2ccccc2[nH+]c1NCC1CC([NH3+])C1 ZINC000715094050 712508149 /nfs/dbraw/zinc/50/81/49/712508149.db2.gz PYBWRXPARRNQCB-UHFFFAOYSA-N 2 1 230.315 1.723 10 0 BDAEMP C[C@H]1C[N@@H+](CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719873039 712824715 /nfs/dbraw/zinc/82/47/15/712824715.db2.gz ONUJMEFTHBMYNM-UWVGGRQHSA-N 2 1 225.361 1.212 10 0 BDAEMP C[N@@H+]1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685953379 538897761 /nfs/dbraw/zinc/89/77/61/538897761.db2.gz GUEXBXDNWSWCNP-MRVPVSSYSA-N 2 1 204.264 1.597 10 0 BDAEMP C[N@H+]1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685953379 538897762 /nfs/dbraw/zinc/89/77/62/538897762.db2.gz GUEXBXDNWSWCNP-MRVPVSSYSA-N 2 1 204.264 1.597 10 0 BDAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@@]12CCCSC2 ZINC000685955228 538900773 /nfs/dbraw/zinc/90/07/73/538900773.db2.gz WJEVZOCOEZQWOT-QWRGUYRKSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(F)c1F ZINC000685965904 538912894 /nfs/dbraw/zinc/91/28/94/538912894.db2.gz YLCMXWWJKJLFRH-KCJUWKMLSA-N 2 1 212.243 1.369 10 0 BDAEMP C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCC[NH2+]C2)S1 ZINC000575517184 398174936 /nfs/dbraw/zinc/17/49/36/398174936.db2.gz HOQLQMXBLGMHTG-OPRDCNLKSA-N 2 1 200.351 1.427 10 0 BDAEMP C[N@@H+](Cc1cc(F)cc(C[NH3+])c1)C1CC1 ZINC000162822579 538924746 /nfs/dbraw/zinc/92/47/46/538924746.db2.gz UKMRXESMTIXGTN-UHFFFAOYSA-N 2 1 208.280 1.879 10 0 BDAEMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000386772759 398219720 /nfs/dbraw/zinc/21/97/20/398219720.db2.gz KSQWGZLAIZVLTE-BFHYXJOUSA-N 2 1 248.374 1.169 10 0 BDAEMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000386772760 398219625 /nfs/dbraw/zinc/21/96/25/398219625.db2.gz KSQWGZLAIZVLTE-IHRRRGAJSA-N 2 1 248.374 1.169 10 0 BDAEMP C[C@H]1CC[C@H](O)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000647997420 398255216 /nfs/dbraw/zinc/25/52/16/398255216.db2.gz BOFBDHWWDRXIQS-AAEUAGOBSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000381263850 538997092 /nfs/dbraw/zinc/99/70/92/538997092.db2.gz SUKACZFRSNHCJZ-WOPDTQHZSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@H]([NH2+]C[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000381322160 538998372 /nfs/dbraw/zinc/99/83/72/538998372.db2.gz PDXBATKUHXPVAH-WDEREUQCSA-N 2 1 219.332 1.834 10 0 BDAEMP C[C@H](C[N@H+]1CCCSCC1)[C@H](C)[NH3+] ZINC000228595340 398325109 /nfs/dbraw/zinc/32/51/09/398325109.db2.gz SXFQBZGVQPHRCJ-ZJUUUORDSA-N 2 1 202.367 1.409 10 0 BDAEMP CCc1cc(N[C@@H](C)C[C@H](C)[NH3+])nc(C)[nH+]1 ZINC000165762977 343212287 /nfs/dbraw/zinc/21/22/87/343212287.db2.gz NQALAPADMFCWJB-IUCAKERBSA-N 2 1 222.336 1.885 10 0 BDAEMP CC(C)[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000022220672 187254575 /nfs/dbraw/zinc/25/45/75/187254575.db2.gz UZSYHSOBHWOKNC-LLVKDONJSA-N 2 1 249.358 1.813 10 0 BDAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(CC(F)F)CC1 ZINC000037755654 187260268 /nfs/dbraw/zinc/26/02/68/187260268.db2.gz LCVRDNNOHKVMNL-LLVKDONJSA-N 2 1 249.349 1.387 10 0 BDAEMP Cc1n[nH]cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019238 187262290 /nfs/dbraw/zinc/26/22/90/187262290.db2.gz YKFNOANYLVVZJV-QXMXGUDHSA-N 2 1 248.374 1.681 10 0 BDAEMP Cc1[nH]ncc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019238 187262291 /nfs/dbraw/zinc/26/22/91/187262291.db2.gz YKFNOANYLVVZJV-QXMXGUDHSA-N 2 1 248.374 1.681 10 0 BDAEMP Cc1[nH]ncc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019238 187262293 /nfs/dbraw/zinc/26/22/93/187262293.db2.gz YKFNOANYLVVZJV-QXMXGUDHSA-N 2 1 248.374 1.681 10 0 BDAEMP COCC[N@@H+](CC[C@@H]1CCC[NH2+]1)[C@@H](C)COC ZINC000042610860 187266229 /nfs/dbraw/zinc/26/62/29/187266229.db2.gz XQITZKGEDVGQBU-STQMWFEESA-N 2 1 244.379 1.112 10 0 BDAEMP Cc1cc(N)c[nH+]c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000052813371 187270924 /nfs/dbraw/zinc/27/09/24/187270924.db2.gz VDCHCBWSUQFIAU-LLVKDONJSA-N 2 1 234.347 1.726 10 0 BDAEMP Cc1cc(N)c[nH+]c1NC[C@H]1CCC[N@H+](C)C1 ZINC000052813371 187270926 /nfs/dbraw/zinc/27/09/26/187270926.db2.gz VDCHCBWSUQFIAU-LLVKDONJSA-N 2 1 234.347 1.726 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000584183450 343770932 /nfs/dbraw/zinc/77/09/32/343770932.db2.gz IULZUXAHRJQFKI-MGPQQGTHSA-N 2 1 240.391 1.611 10 0 BDAEMP CN(c1ccnc(C[NH3+])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053249214 187272278 /nfs/dbraw/zinc/27/22/78/187272278.db2.gz DDQDCYBPOLCTDQ-CYBMUJFWSA-N 2 1 234.347 1.071 10 0 BDAEMP COC[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH3+])C1 ZINC000409425359 343819336 /nfs/dbraw/zinc/81/93/36/343819336.db2.gz AJYUZUXQBKCNHS-SECBINFHSA-N 2 1 240.269 1.236 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CCS[C@@H]2C)C1 ZINC000234414604 343964254 /nfs/dbraw/zinc/96/42/54/343964254.db2.gz NUVNSEYXCDPTPV-GMTAPVOTSA-N 2 1 214.378 1.564 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2CCS[C@@H]2C)C1 ZINC000234414604 343964256 /nfs/dbraw/zinc/96/42/56/343964256.db2.gz NUVNSEYXCDPTPV-GMTAPVOTSA-N 2 1 214.378 1.564 10 0 BDAEMP C[C@@H]1SCCC[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000227532446 344483415 /nfs/dbraw/zinc/48/34/15/344483415.db2.gz XNVCHVARDWPJOC-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1SCCC[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 ZINC000227532446 344483416 /nfs/dbraw/zinc/48/34/16/344483416.db2.gz XNVCHVARDWPJOC-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP CC1(C)CCSC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000227543643 344492305 /nfs/dbraw/zinc/49/23/05/344492305.db2.gz FNACVLYOTHMSAD-ZJUUUORDSA-N 2 1 214.378 1.551 10 0 BDAEMP CC1(C)CCSC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 ZINC000227543643 344492307 /nfs/dbraw/zinc/49/23/07/344492307.db2.gz FNACVLYOTHMSAD-ZJUUUORDSA-N 2 1 214.378 1.551 10 0 BDAEMP CC[NH2+]CCC[N@H+](CCO)Cc1ccccc1 ZINC000050515547 344704123 /nfs/dbraw/zinc/70/41/23/344704123.db2.gz VTFPMDKBNGJALN-UHFFFAOYSA-N 2 1 236.359 1.481 10 0 BDAEMP CC[NH2+]CCC[N@@H+](CCO)Cc1ccccc1 ZINC000050515547 344704125 /nfs/dbraw/zinc/70/41/25/344704125.db2.gz VTFPMDKBNGJALN-UHFFFAOYSA-N 2 1 236.359 1.481 10 0 BDAEMP C[C@H]1SCC[C@@]1(C[NH3+])[NH2+]Cc1ccccc1 ZINC000235625750 344958969 /nfs/dbraw/zinc/95/89/69/344958969.db2.gz SKDRZRUXEVYVDO-YPMHNXCESA-N 2 1 236.384 1.999 10 0 BDAEMP Cc1ccc[nH+]c1NC[C@@H]1CCC[NH2+]C1 ZINC000051041281 187296769 /nfs/dbraw/zinc/29/67/69/187296769.db2.gz PMRUTGFDDHWPPR-LLVKDONJSA-N 2 1 205.305 1.802 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000248261616 345095277 /nfs/dbraw/zinc/09/52/77/345095277.db2.gz QWSAFDJDZVPCLE-LSDHHAIUSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000248261616 345095279 /nfs/dbraw/zinc/09/52/79/345095279.db2.gz QWSAFDJDZVPCLE-LSDHHAIUSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000248261615 345095464 /nfs/dbraw/zinc/09/54/64/345095464.db2.gz QWSAFDJDZVPCLE-GJZGRUSLSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000248261615 345095465 /nfs/dbraw/zinc/09/54/65/345095465.db2.gz QWSAFDJDZVPCLE-GJZGRUSLSA-N 2 1 248.370 1.479 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000634998239 345198171 /nfs/dbraw/zinc/19/81/71/345198171.db2.gz CJPCEGHBWORHMF-KOLCDFICSA-N 2 1 210.346 1.775 10 0 BDAEMP CC(C)n1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634998814 345199373 /nfs/dbraw/zinc/19/93/73/345199373.db2.gz LJQTWUQROAZAOH-YPMHNXCESA-N 2 1 236.363 1.491 10 0 BDAEMP CC(C)n1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634998814 345199376 /nfs/dbraw/zinc/19/93/76/345199376.db2.gz LJQTWUQROAZAOH-YPMHNXCESA-N 2 1 236.363 1.491 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCO)C2)n1 ZINC000177698673 187307352 /nfs/dbraw/zinc/30/73/52/187307352.db2.gz LFPDTZUMWDVTDT-LBPRGKRZSA-N 2 1 235.331 1.116 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCO)C2)[nH+]1 ZINC000177698673 187307353 /nfs/dbraw/zinc/30/73/53/187307353.db2.gz LFPDTZUMWDVTDT-LBPRGKRZSA-N 2 1 235.331 1.116 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCO)C2)[nH+]1 ZINC000177698673 187307355 /nfs/dbraw/zinc/30/73/55/187307355.db2.gz LFPDTZUMWDVTDT-LBPRGKRZSA-N 2 1 235.331 1.116 10 0 BDAEMP C[C@@H]([NH3+])CCNc1cc[nH+]cc1Br ZINC000159896455 345585961 /nfs/dbraw/zinc/58/59/61/345585961.db2.gz MCRZGMUSEBLMKB-SSDOTTSWSA-N 2 1 244.136 1.993 10 0 BDAEMP CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@]1(O)C[NH3+] ZINC000307700344 345904129 /nfs/dbraw/zinc/90/41/29/345904129.db2.gz LWSCMQGDXGIKOZ-HUUCEWRRSA-N 2 1 248.370 1.608 10 0 BDAEMP C[N@@H+](C1CCC1)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000143674867 345910464 /nfs/dbraw/zinc/91/04/64/345910464.db2.gz HATBHBIKZPYZQK-RYUDHWBXSA-N 2 1 240.347 1.094 10 0 BDAEMP CC(C)[C@@](C)(O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310502336 187312754 /nfs/dbraw/zinc/31/27/54/187312754.db2.gz JOOYNJORTYYOJM-UONOGXRCSA-N 2 1 240.391 1.421 10 0 BDAEMP CC(C)[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310502336 187312756 /nfs/dbraw/zinc/31/27/56/187312756.db2.gz JOOYNJORTYYOJM-UONOGXRCSA-N 2 1 240.391 1.421 10 0 BDAEMP CC(C)[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000310502336 187312757 /nfs/dbraw/zinc/31/27/57/187312757.db2.gz JOOYNJORTYYOJM-UONOGXRCSA-N 2 1 240.391 1.421 10 0 BDAEMP CO[C@H](C)C[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000167633728 346293431 /nfs/dbraw/zinc/29/34/31/346293431.db2.gz HDPXMEDBKBLORQ-SNVBAGLBSA-N 2 1 200.326 1.095 10 0 BDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C)C2)[nH+]1 ZINC000037670762 179148932 /nfs/dbraw/zinc/14/89/32/179148932.db2.gz JIKRFHRAYCIAJC-LLVKDONJSA-N 2 1 205.305 1.754 10 0 BDAEMP Cc1cccc(NC[C@H]2CC[N@H+](C)C2)[nH+]1 ZINC000037670762 179148934 /nfs/dbraw/zinc/14/89/34/179148934.db2.gz JIKRFHRAYCIAJC-LLVKDONJSA-N 2 1 205.305 1.754 10 0 BDAEMP c1ccc(COCCCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000390588253 259394573 /nfs/dbraw/zinc/39/45/73/259394573.db2.gz OQPMDJKPGOMGNY-OAHLLOKOSA-N 2 1 248.370 1.935 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000250715514 362818171 /nfs/dbraw/zinc/81/81/71/362818171.db2.gz GZRAJPODPKZBQG-QWRGUYRKSA-N 2 1 214.378 1.423 10 0 BDAEMP Cc1ccccc1CC[N@@H+]1CCC[NH2+]CC1 ZINC000041231912 179262868 /nfs/dbraw/zinc/26/28/68/179262868.db2.gz RTQXVUVSVZWOPY-UHFFFAOYSA-N 2 1 218.344 1.833 10 0 BDAEMP Cc1ccccc1CC[N@H+]1CCC[NH2+]CC1 ZINC000041231912 179262870 /nfs/dbraw/zinc/26/28/70/179262870.db2.gz RTQXVUVSVZWOPY-UHFFFAOYSA-N 2 1 218.344 1.833 10 0 BDAEMP Cc1ccccc1[C@H]([NH3+])CN1CC[N@@H+](C)[C@H](C)C1 ZINC000104125918 179343853 /nfs/dbraw/zinc/34/38/53/179343853.db2.gz CVNBANOWILHFHP-UKRRQHHQSA-N 2 1 247.386 1.631 10 0 BDAEMP CS[C@H]1CCC[N@H+](C2CC([NH3+])C2)CC1 ZINC000300840378 362909303 /nfs/dbraw/zinc/90/93/03/362909303.db2.gz MBNKVWWNDDWSQQ-ILDUYXDCSA-N 2 1 214.378 1.694 10 0 BDAEMP C[C@H]1CCC[N@@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000216244834 349988681 /nfs/dbraw/zinc/98/86/81/349988681.db2.gz ZTBWPZHMBGLQJR-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1CCC[N@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000216244834 349988686 /nfs/dbraw/zinc/98/86/86/349988686.db2.gz ZTBWPZHMBGLQJR-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250228495 349168746 /nfs/dbraw/zinc/16/87/46/349168746.db2.gz FTRAGLXJAYIQHV-AVGNSLFASA-N 2 1 225.380 1.330 10 0 BDAEMP CCN1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250228495 349168748 /nfs/dbraw/zinc/16/87/48/349168748.db2.gz FTRAGLXJAYIQHV-AVGNSLFASA-N 2 1 225.380 1.330 10 0 BDAEMP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217535542 350060277 /nfs/dbraw/zinc/06/02/77/350060277.db2.gz LUSHDEIRGGAERP-AXFHLTTASA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000217535542 350060281 /nfs/dbraw/zinc/06/02/81/350060281.db2.gz LUSHDEIRGGAERP-AXFHLTTASA-N 2 1 200.326 1.223 10 0 BDAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)CC1(O)CCCC1 ZINC000083588079 350249407 /nfs/dbraw/zinc/24/94/07/350249407.db2.gz OKNXQFRJKDAMSC-LBPRGKRZSA-N 2 1 226.364 1.175 10 0 BDAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)CC1(O)CCCC1 ZINC000083588079 350249410 /nfs/dbraw/zinc/24/94/10/350249410.db2.gz OKNXQFRJKDAMSC-LBPRGKRZSA-N 2 1 226.364 1.175 10 0 BDAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccccc1 ZINC000038827578 180265340 /nfs/dbraw/zinc/26/53/40/180265340.db2.gz GGLKIQQHALXVBY-GFCCVEGCSA-N 2 1 201.273 1.892 10 0 BDAEMP Cc1[nH+]ccn1[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354890 180271273 /nfs/dbraw/zinc/27/12/73/180271273.db2.gz NAOAGDGGCWLYKS-SKDRFNHKSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]cn(C[C@@H]2CC[C@H](C[NH3+])O2)c1C ZINC000052593597 180287293 /nfs/dbraw/zinc/28/72/93/180287293.db2.gz DKFNGJUDDIIQOP-MNOVXSKESA-N 2 1 209.293 1.006 10 0 BDAEMP CC(C)[N@@H+]1CC[C@@H](NC2=[NH+]CCS2)C1 ZINC000306678938 350833434 /nfs/dbraw/zinc/83/34/34/350833434.db2.gz ARHPBBCPNXETAX-SECBINFHSA-N 2 1 213.350 1.162 10 0 BDAEMP CC(C)[N@H+]1CC[C@@H](NC2=[NH+]CCS2)C1 ZINC000306678938 350833437 /nfs/dbraw/zinc/83/34/37/350833437.db2.gz ARHPBBCPNXETAX-SECBINFHSA-N 2 1 213.350 1.162 10 0 BDAEMP [NH3+][C@H]1CC[N@H+](C[C@@H]2CCCSC2)C1 ZINC000306730751 350900094 /nfs/dbraw/zinc/90/00/94/350900094.db2.gz PUINPPUZGHJFPV-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CCCSC2)C1 ZINC000306730751 350900099 /nfs/dbraw/zinc/90/00/99/350900099.db2.gz PUINPPUZGHJFPV-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP CC(C)=CC[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309073531 191126603 /nfs/dbraw/zinc/12/66/03/191126603.db2.gz HQXHEIZCRWTVJA-NSHDSACASA-N 2 1 205.305 1.754 10 0 BDAEMP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCCCS2)C1 ZINC000250826270 350886203 /nfs/dbraw/zinc/88/62/03/350886203.db2.gz HPSAFYUEEBVJRY-GHMZBOCLSA-N 2 1 214.378 1.695 10 0 BDAEMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCCS2)C1 ZINC000250826270 350886206 /nfs/dbraw/zinc/88/62/06/350886206.db2.gz HPSAFYUEEBVJRY-GHMZBOCLSA-N 2 1 214.378 1.695 10 0 BDAEMP [NH3+]CC[C@@H]1COCCC[N@H+]1Cc1ccccc1 ZINC000616648030 351175536 /nfs/dbraw/zinc/17/55/36/351175536.db2.gz RYSGQOCHTMFASC-CQSZACIVSA-N 2 1 234.343 1.626 10 0 BDAEMP C[C@H]1C[C@H]([N@@H+](C)C2CC([NH3+])C2)CS1 ZINC000306853345 351177100 /nfs/dbraw/zinc/17/71/00/351177100.db2.gz SYVQMYCJBYLBMU-NFTFJBJSSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@@H]([N@@H+](C)C2CC([NH3+])C2)CS1 ZINC000306853346 351177235 /nfs/dbraw/zinc/17/72/35/351177235.db2.gz SYVQMYCJBYLBMU-SEZDTBSWSA-N 2 1 200.351 1.302 10 0 BDAEMP [NH3+]CCN1C[C@H](c2[nH]cc[nH+]2)Cc2ccccc21 ZINC000616673529 351237320 /nfs/dbraw/zinc/23/73/20/351237320.db2.gz VDAWYRUOOUSOSK-GFCCVEGCSA-N 2 1 242.326 1.515 10 0 BDAEMP CC(C)(C)[N@H+]1CCOC[C@H](CC[NH3+])C1 ZINC000616657984 351199643 /nfs/dbraw/zinc/19/96/43/351199643.db2.gz ADVOONAMDXGGFP-SNVBAGLBSA-N 2 1 200.326 1.082 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1c(F)cc(Cl)cc1F ZINC000307019360 351424151 /nfs/dbraw/zinc/42/41/51/351424151.db2.gz UWWRYDTYTNOZFU-MRVPVSSYSA-N 2 1 220.650 1.967 10 0 BDAEMP C[C@H]([NH3+])c1cnc(C[NH+]2CCCC2)s1 ZINC000307144287 351502011 /nfs/dbraw/zinc/50/20/11/351502011.db2.gz HZURYYKKOWDSDT-QMMMGPOBSA-N 2 1 211.334 1.759 10 0 BDAEMP CS[C@@H]1CC[N@@H+](C[C@@H]2C=C[C@@H]([NH3+])C2)C1 ZINC000307254133 351788779 /nfs/dbraw/zinc/78/87/79/351788779.db2.gz WYTSJXAOXYVPJW-GMTAPVOTSA-N 2 1 212.362 1.327 10 0 BDAEMP CS[C@@H]1CC[N@@H+]([C@@H]2CCCC[NH2+]C2)C1 ZINC000307254986 351790766 /nfs/dbraw/zinc/79/07/66/351790766.db2.gz YZBJLLJZRPNTRA-GHMZBOCLSA-N 2 1 214.378 1.566 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@@H]2CCCC[NH2+]C2)C1 ZINC000307254986 351790768 /nfs/dbraw/zinc/79/07/68/351790768.db2.gz YZBJLLJZRPNTRA-GHMZBOCLSA-N 2 1 214.378 1.566 10 0 BDAEMP [NH3+][C@H](C[NH2+]Cc1ccccc1)CC1CC1 ZINC000307275568 351830865 /nfs/dbraw/zinc/83/08/65/351830865.db2.gz RFHAKVFMBQHMTP-ZDUSSCGKSA-N 2 1 204.317 1.904 10 0 BDAEMP CS[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000300813349 352575498 /nfs/dbraw/zinc/57/54/98/352575498.db2.gz HPKZPFLHBWIBMN-JTQLQIEISA-N 2 1 216.394 1.941 10 0 BDAEMP CC(C)[C@@H]([NH3+])CCN(C)c1[nH+]cnc2[nH]ccc21 ZINC000420212759 192175926 /nfs/dbraw/zinc/17/59/26/192175926.db2.gz XZALLNUEVOXXPZ-NSHDSACASA-N 2 1 247.346 1.768 10 0 BDAEMP C[C@H](C[NH3+])[C@@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000307494425 352624975 /nfs/dbraw/zinc/62/49/75/352624975.db2.gz HTHLDRSEOCTVEW-GMTAPVOTSA-N 2 1 216.394 1.797 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CC[C@H](C[NH3+])C1 ZINC000307514914 352631713 /nfs/dbraw/zinc/63/17/13/352631713.db2.gz OYDXYOQZDJADEK-BBBLOLIVSA-N 2 1 200.351 1.019 10 0 BDAEMP C(C[N@H+]1CCCSCC1)C1CC[NH2+]CC1 ZINC000042444886 187978465 /nfs/dbraw/zinc/97/84/65/187978465.db2.gz MXDAPWFDGOWRBZ-UHFFFAOYSA-N 2 1 228.405 1.815 10 0 BDAEMP C[C@H]([NH2+]Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000571669481 353489248 /nfs/dbraw/zinc/48/92/48/353489248.db2.gz OKFBTGQLRZYAPB-QWRGUYRKSA-N 2 1 208.305 1.757 10 0 BDAEMP C[C@@H]([NH3+])C[N@@H+]1CCSC(C)(C)CC1 ZINC000231047941 353561116 /nfs/dbraw/zinc/56/11/16/353561116.db2.gz LRHNILOXQLJZLF-SECBINFHSA-N 2 1 202.367 1.551 10 0 BDAEMP C[C@@H]([NH3+])C[N@H+]1CCSC(C)(C)CC1 ZINC000231047941 353561117 /nfs/dbraw/zinc/56/11/17/353561117.db2.gz LRHNILOXQLJZLF-SECBINFHSA-N 2 1 202.367 1.551 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000630079156 363286862 /nfs/dbraw/zinc/28/68/62/363286862.db2.gz WRHOOQVQPLXPQK-WCBMZHEXSA-N 2 1 209.293 1.010 10 0 BDAEMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000630079156 363286868 /nfs/dbraw/zinc/28/68/68/363286868.db2.gz WRHOOQVQPLXPQK-WCBMZHEXSA-N 2 1 209.293 1.010 10 0 BDAEMP C[C@]1([NH3+])CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000405780176 355273572 /nfs/dbraw/zinc/27/35/72/355273572.db2.gz HBKXUUJANMCRAC-ZJUUUORDSA-N 2 1 200.351 1.163 10 0 BDAEMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCCO)C1 ZINC000113515681 355251922 /nfs/dbraw/zinc/25/19/22/355251922.db2.gz MPBGLMVWDHINLB-GFCCVEGCSA-N 2 1 214.353 1.033 10 0 BDAEMP NC(=[NH2+])CCCC[NH+]1CCN(CC2CC2)CC1 ZINC000049579808 181186406 /nfs/dbraw/zinc/18/64/06/181186406.db2.gz JDDOHNJWPGNQNR-UHFFFAOYSA-N 2 1 238.379 1.120 10 0 BDAEMP CC(C)C[NH2+]CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126547113 538534368 /nfs/dbraw/zinc/53/43/68/538534368.db2.gz KSXYGKJTVDIEND-BETUJISGSA-N 2 1 210.365 1.964 10 0 BDAEMP CC(C)C[NH2+]CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126547113 538534373 /nfs/dbraw/zinc/53/43/73/538534373.db2.gz KSXYGKJTVDIEND-BETUJISGSA-N 2 1 210.365 1.964 10 0 BDAEMP CCc1nc(NC[C@@H]([NH3+])C(C)C)cc(C)[nH+]1 ZINC000304274478 357161065 /nfs/dbraw/zinc/16/10/65/357161065.db2.gz DDUUORXGIVNBAS-SNVBAGLBSA-N 2 1 222.336 1.743 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])[C@@H](C)C2)CS1 ZINC000300049709 357177351 /nfs/dbraw/zinc/17/73/51/357177351.db2.gz UJCABGXUIQZDRW-JXUBOQSCSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)CS1 ZINC000300049709 357177355 /nfs/dbraw/zinc/17/73/55/357177355.db2.gz UJCABGXUIQZDRW-JXUBOQSCSA-N 2 1 200.351 1.159 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]CC[C@@H]1c1cccc2occc21 ZINC000685946578 538885947 /nfs/dbraw/zinc/88/59/47/538885947.db2.gz AWAJEHKMCVOQDG-ZYHUDNBSSA-N 2 1 216.284 1.837 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000685945938 538887546 /nfs/dbraw/zinc/88/75/46/538887546.db2.gz HEHHXEAMXBKUSZ-NEPJUHHUSA-N 2 1 208.280 1.620 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(N)c1 ZINC000685946335 538887906 /nfs/dbraw/zinc/88/79/06/538887906.db2.gz PNWZMAFXKUGOPA-NWDGAFQWSA-N 2 1 205.305 1.063 10 0 BDAEMP CCOc1ccccc1[C@@H]([NH3+])CC[NH2+]C ZINC000685947837 538889812 /nfs/dbraw/zinc/88/98/12/538889812.db2.gz RPICCYUAMMGGFQ-NSHDSACASA-N 2 1 208.305 1.695 10 0 BDAEMP CC(C)(C)C1CCC([NH3+])(C2=[NH+]CCN2)CC1 ZINC000685948113 538890299 /nfs/dbraw/zinc/89/02/99/538890299.db2.gz XZTHEVVBVPJHSY-UHFFFAOYSA-N 2 1 223.364 1.922 10 0 BDAEMP COC[C@@H]1CC[N@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685951401 538895306 /nfs/dbraw/zinc/89/53/06/538895306.db2.gz SQWHUIKGYQMCLR-IJLUTSLNSA-N 2 1 226.364 1.199 10 0 BDAEMP COC[C@@H]1CC[N@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951403 538895387 /nfs/dbraw/zinc/89/53/87/538895387.db2.gz SQWHUIKGYQMCLR-SDDRHHMPSA-N 2 1 226.364 1.199 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1[C@H](C)COC[C@@H]1C ZINC000685951718 538895432 /nfs/dbraw/zinc/89/54/32/538895432.db2.gz WEZVPLINQXHYSR-KKOKHZNYSA-N 2 1 226.364 1.340 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000685951718 538895433 /nfs/dbraw/zinc/89/54/33/538895433.db2.gz WEZVPLINQXHYSR-KKOKHZNYSA-N 2 1 226.364 1.340 10 0 BDAEMP CSCCCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000235171873 357854268 /nfs/dbraw/zinc/85/42/68/357854268.db2.gz XQLMCRHPGHOONJ-SNVBAGLBSA-N 2 1 202.367 1.471 10 0 BDAEMP C[C@@H]1C[C@H](O)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000639940295 357950976 /nfs/dbraw/zinc/95/09/76/357950976.db2.gz VYYGIJIFEWIBHJ-FRRDWIJNSA-N 2 1 226.364 1.316 10 0 BDAEMP C[C@@H]1C[C@H](O)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000639940295 357950979 /nfs/dbraw/zinc/95/09/79/357950979.db2.gz VYYGIJIFEWIBHJ-FRRDWIJNSA-N 2 1 226.364 1.316 10 0 BDAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168739377 134247576 /nfs/dbraw/zinc/24/75/76/134247576.db2.gz DLIRHVAOVDOZKZ-RYUDHWBXSA-N 3 1 213.369 1.058 10 0 BDAEMP C[C@@H]([NH3+])C[C@@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000584781802 358177202 /nfs/dbraw/zinc/17/72/02/358177202.db2.gz QWHFQMRGALLIRN-HTQZYQBOSA-N 2 1 219.292 1.496 10 0 BDAEMP CSC1(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)CC1 ZINC000306230587 359366152 /nfs/dbraw/zinc/36/61/52/359366152.db2.gz ZTLLDRNUNHUGMV-ZJUUUORDSA-N 2 1 214.378 1.551 10 0 BDAEMP [NH3+][C@H]1CC[C@@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000306220337 359340192 /nfs/dbraw/zinc/34/01/92/359340192.db2.gz HTUKXLQEYOWJFK-BDAKNGLRSA-N 2 1 204.264 1.455 10 0 BDAEMP [NH3+][C@H]1CC[C@@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000306220337 359340195 /nfs/dbraw/zinc/34/01/95/359340195.db2.gz HTUKXLQEYOWJFK-BDAKNGLRSA-N 2 1 204.264 1.455 10 0 BDAEMP [NH3+][C@@H]1C=C[C@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000306241457 359421207 /nfs/dbraw/zinc/42/12/07/359421207.db2.gz RGXTZNIZALDUNX-DTWKUNHWSA-N 2 1 202.248 1.231 10 0 BDAEMP [NH3+][C@@H]1C=C[C@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000306241457 359421210 /nfs/dbraw/zinc/42/12/10/359421210.db2.gz RGXTZNIZALDUNX-DTWKUNHWSA-N 2 1 202.248 1.231 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@H]1C[NH3+] ZINC000306257676 359472621 /nfs/dbraw/zinc/47/26/21/359472621.db2.gz QNAHTWXQHBWLFW-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CCC[C@H]1C[NH3+] ZINC000306257676 359472625 /nfs/dbraw/zinc/47/26/25/359472625.db2.gz QNAHTWXQHBWLFW-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP O[C@]1([C@@H]2C=CC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306344239 359662382 /nfs/dbraw/zinc/66/23/82/359662382.db2.gz CKWIOFQLDHMHFO-LSDHHAIUSA-N 2 1 244.338 1.151 10 0 BDAEMP CC[N@H+]1C[C@H](NCc2cc[nH]c2)[C@@H](C)C1 ZINC000309049452 491143427 /nfs/dbraw/zinc/14/34/27/491143427.db2.gz QAHXJOFZPZOGKM-JQWIXIFHSA-N 2 1 207.321 1.445 10 0 BDAEMP CC[N@@H+]1C[C@H](NCc2cc[nH]c2)[C@@H](C)C1 ZINC000309049452 491143428 /nfs/dbraw/zinc/14/34/28/491143428.db2.gz QAHXJOFZPZOGKM-JQWIXIFHSA-N 2 1 207.321 1.445 10 0 BDAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(O)C1C[NH2+]C1 ZINC000306398794 359766328 /nfs/dbraw/zinc/76/63/28/359766328.db2.gz MOJSAPUHJFRHIC-DOMZBBRYSA-N 2 1 246.354 1.231 10 0 BDAEMP CC1(C)C[N@H+](CC2(F)CC2)CC[C@@H]1[NH3+] ZINC000306496173 360222804 /nfs/dbraw/zinc/22/28/04/360222804.db2.gz CUNCZNCRCOPMKI-VIFPVBQESA-N 2 1 200.301 1.548 10 0 BDAEMP CC1(C)C[N@@H+](CC2(F)CC2)CC[C@@H]1[NH3+] ZINC000306496173 360222806 /nfs/dbraw/zinc/22/28/06/360222806.db2.gz CUNCZNCRCOPMKI-VIFPVBQESA-N 2 1 200.301 1.548 10 0 BDAEMP Cc1c(C[NH2+]CC(C)(C)C[NH+](C)C)cnn1C ZINC000093649177 360266010 /nfs/dbraw/zinc/26/60/10/360266010.db2.gz BVWAIOHTTXDDKU-UHFFFAOYSA-N 2 1 238.379 1.406 10 0 BDAEMP CC1(C)C[N@H+]([C@H]2CCSC2)CCC[NH2+]1 ZINC000231421909 360335609 /nfs/dbraw/zinc/33/56/09/360335609.db2.gz PGGIIWDTEDIGEP-JTQLQIEISA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCSC[C@@H]1C ZINC000069761061 360409026 /nfs/dbraw/zinc/40/90/26/360409026.db2.gz VTTVNSLTHKCKHS-YUMQZZPRSA-N 2 1 201.339 1.138 10 0 BDAEMP C[C@H]1C[N@H+](C)CC[C@@]12[NH2+]CCCS2 ZINC000306568455 360449936 /nfs/dbraw/zinc/44/99/36/360449936.db2.gz USTVSTIKRULAHM-UWVGGRQHSA-N 2 1 200.351 1.381 10 0 BDAEMP C[C@H]1C[N@@H+](C)CC[C@@]12[NH2+]CCCS2 ZINC000306568455 360449940 /nfs/dbraw/zinc/44/99/40/360449940.db2.gz USTVSTIKRULAHM-UWVGGRQHSA-N 2 1 200.351 1.381 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC000069761862 360421458 /nfs/dbraw/zinc/42/14/58/360421458.db2.gz VQSPBDVAJFBPSG-GHMZBOCLSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@H](C[NH3+])[C@H](C)[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000306559156 360433996 /nfs/dbraw/zinc/43/39/96/360433996.db2.gz QGMQIIBOYBLJFM-YTWAJWBKSA-N 2 1 200.326 1.079 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630364731 364083547 /nfs/dbraw/zinc/08/35/47/364083547.db2.gz SIXDZFRNQORNAV-STQMWFEESA-N 2 1 226.364 1.615 10 0 BDAEMP CO[C@H]1C[N@@H+](CC2CC=CC2)[C@](C)(C[NH3+])C1 ZINC000630365432 364083559 /nfs/dbraw/zinc/08/35/59/364083559.db2.gz HXPLHXSZMPNYMF-OLZOCXBDSA-N 2 1 224.348 1.391 10 0 BDAEMP O[C@H]1C[NH2+]C[C@H]1CNc1[nH+]ccc2ccccc21 ZINC000630511309 364196425 /nfs/dbraw/zinc/19/64/25/364196425.db2.gz CSZDMUJMSQVIJV-AAEUAGOBSA-N 2 1 243.310 1.227 10 0 BDAEMP [NH3+]C1(CNc2cc[nH+]cc2Cl)CCOCC1 ZINC000630528345 364217658 /nfs/dbraw/zinc/21/76/58/364217658.db2.gz ZPMTVTPVGHHHFV-UHFFFAOYSA-N 2 1 241.722 1.077 10 0 BDAEMP Cc1cccc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[nH+]1 ZINC000630538155 364233382 /nfs/dbraw/zinc/23/33/82/364233382.db2.gz IYDUQDRTVUVUGU-OKILXGFUSA-N 2 1 231.343 1.826 10 0 BDAEMP Cc1cc[nH+]c(N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000630570966 364265667 /nfs/dbraw/zinc/26/56/67/364265667.db2.gz NLXVMHZPWSPTPR-WDEREUQCSA-N 2 1 205.305 1.421 10 0 BDAEMP [NH3+]CC1CC[NH+](Cc2ccnc(Cl)n2)CC1 ZINC000095072728 181364836 /nfs/dbraw/zinc/36/48/36/181364836.db2.gz SJKIJPGOQSQBBM-UHFFFAOYSA-N 2 1 240.738 1.301 10 0 BDAEMP CC1(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000381763576 367455239 /nfs/dbraw/zinc/45/52/39/367455239.db2.gz UQBNAUVMSIZOHI-NSHDSACASA-N 2 1 219.332 1.835 10 0 BDAEMP Cc1nnsc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000384268870 367679995 /nfs/dbraw/zinc/67/99/95/367679995.db2.gz RANWQUABLHVIKD-BDAKNGLRSA-N 2 1 226.349 1.206 10 0 BDAEMP CCC[N@@H+](CC)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581937821 367964063 /nfs/dbraw/zinc/96/40/63/367964063.db2.gz UWYWTUDBHYAZPF-KGLIPLIRSA-N 2 1 241.423 1.696 10 0 BDAEMP CC(C)(C)CC[NH2+]C1CC[NH+](CCO)CC1 ZINC000390121604 371187899 /nfs/dbraw/zinc/18/78/99/371187899.db2.gz FZLHPAYUBIVCDC-UHFFFAOYSA-N 2 1 228.380 1.469 10 0 BDAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CCSC1 ZINC000126702857 371543931 /nfs/dbraw/zinc/54/39/31/371543931.db2.gz LMKTYNGITJBRKS-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[NH2+][C@@]2(CC[N@@H+](C)[C@@H](C)C2)S1 ZINC000226850603 371752083 /nfs/dbraw/zinc/75/20/83/371752083.db2.gz AWIVFFDPRLPXNA-AEJSXWLSSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000306648413 372050474 /nfs/dbraw/zinc/05/04/74/372050474.db2.gz CILIKFHOUMSLJD-KATARQTJSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@H]1C[NH2+]CC[C@@]12[NH2+]C(C)(C)CS2 ZINC000229565717 372165548 /nfs/dbraw/zinc/16/55/48/372165548.db2.gz PSTQFPVZQSBAAI-WPRPVWTQSA-N 2 1 200.351 1.427 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1C[NH3+] ZINC000631836602 372624533 /nfs/dbraw/zinc/62/45/33/372624533.db2.gz CJXHFGCPMNXMFA-PWSUYJOCSA-N 2 1 210.365 1.949 10 0 BDAEMP C[C@H]1C[N@@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000631841072 372638424 /nfs/dbraw/zinc/63/84/24/372638424.db2.gz XUAIROFBYQHYAW-WCQYABFASA-N 2 1 219.332 1.151 10 0 BDAEMP C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841052 372639201 /nfs/dbraw/zinc/63/92/01/372639201.db2.gz XNCBJRYFVSRNOG-MDZLAQPJSA-N 2 1 219.332 1.669 10 0 BDAEMP C(C[NH+]1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000042171932 374252129 /nfs/dbraw/zinc/25/21/29/374252129.db2.gz LQNSVTPQPRGKNO-JTQLQIEISA-N 2 1 200.351 1.177 10 0 BDAEMP CCC[N@@H+](C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000104313255 169081670 /nfs/dbraw/zinc/08/16/70/169081670.db2.gz RCDRPQHLHXIDFE-CQSZACIVSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[N@H+]1CCc2nc(CC[NH3+])sc2C1 ZINC000019517865 169208517 /nfs/dbraw/zinc/20/85/17/169208517.db2.gz HUNKTUUACCMENA-UHFFFAOYSA-N 2 1 225.361 1.412 10 0 BDAEMP CCC[NH2+][C@H](CC)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000104135879 169287999 /nfs/dbraw/zinc/28/79/99/169287999.db2.gz MVHZJQQFHFZVBS-ZIAGYGMSSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCCOC2)C[C@@H]1C ZINC000103962888 169282666 /nfs/dbraw/zinc/28/26/66/169282666.db2.gz HCSSQLUSUPVLCN-BFHYXJOUSA-N 2 1 240.391 1.875 10 0 BDAEMP CCCO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425461 169312854 /nfs/dbraw/zinc/31/28/54/169312854.db2.gz NMGFHZMPMSUUEQ-KGLIPLIRSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+](CCO)C1CC1 ZINC000053880280 169292013 /nfs/dbraw/zinc/29/20/13/169292013.db2.gz YBEWRGSALSFKDZ-JSGCOSHPSA-N 2 1 240.391 1.611 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCSC1)C2 ZINC000367821053 183474187 /nfs/dbraw/zinc/47/41/87/183474187.db2.gz MSEIXDNUCQUKEK-MNOVXSKESA-N 2 1 237.372 1.683 10 0 BDAEMP CC(C)[N@@H+](C)CCCNC1CC[NH2+]CC1 ZINC000226338313 134360758 /nfs/dbraw/zinc/36/07/58/134360758.db2.gz ULLRITQUMQCRPV-UHFFFAOYSA-N 2 1 213.369 1.058 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301001606 383827560 /nfs/dbraw/zinc/82/75/60/383827560.db2.gz VWWAIKKXJCJTEG-ZJUUUORDSA-N 2 1 218.291 1.845 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301001606 383827564 /nfs/dbraw/zinc/82/75/64/383827564.db2.gz VWWAIKKXJCJTEG-ZJUUUORDSA-N 2 1 218.291 1.845 10 0 BDAEMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000068592950 384001435 /nfs/dbraw/zinc/00/14/35/384001435.db2.gz WLYLYILTBJZATP-WCQYABFASA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000068592950 384001441 /nfs/dbraw/zinc/00/14/41/384001441.db2.gz WLYLYILTBJZATP-WCQYABFASA-N 2 1 204.317 1.998 10 0 BDAEMP CCc1cc(N[C@@H](C)CCCC[NH3+])nc(C)[nH+]1 ZINC000336676988 384325223 /nfs/dbraw/zinc/32/52/23/384325223.db2.gz CIQIFIQQQHTHRL-JTQLQIEISA-N 2 1 236.363 1.699 10 0 BDAEMP CCc1cc(N[C@H](C)CCCC[NH3+])nc(C)[nH+]1 ZINC000336676997 384325709 /nfs/dbraw/zinc/32/57/09/384325709.db2.gz CIQIFIQQQHTHRL-SNVBAGLBSA-N 2 1 236.363 1.699 10 0 BDAEMP Cc1cc(N[C@H](C)CCCC[NH3+])nc(C)[nH+]1 ZINC000336675123 384329736 /nfs/dbraw/zinc/32/97/36/384329736.db2.gz VBIWNVHMZKBNGO-SECBINFHSA-N 2 1 222.336 1.445 10 0 BDAEMP Clc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cn1 ZINC000095069845 384333733 /nfs/dbraw/zinc/33/37/33/384333733.db2.gz VIYNONFVYLFDIT-JTQLQIEISA-N 2 1 225.723 1.434 10 0 BDAEMP C[C@@H](CCN(C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729393 384679945 /nfs/dbraw/zinc/67/99/45/384679945.db2.gz BPHGYVFHHFAERR-UNXYVOJBSA-N 2 1 213.369 1.186 10 0 BDAEMP C[N@@H+](Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000051889947 384701908 /nfs/dbraw/zinc/70/19/08/384701908.db2.gz IJYXRPHIMACLAO-LLVKDONJSA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+](Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000051889947 384701917 /nfs/dbraw/zinc/70/19/17/384701917.db2.gz IJYXRPHIMACLAO-LLVKDONJSA-N 2 1 205.305 1.123 10 0 BDAEMP CC[C@H](COC)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000310022269 384791232 /nfs/dbraw/zinc/79/12/32/384791232.db2.gz NYEYBAFWLINVGF-GHMZBOCLSA-N 2 1 223.320 1.213 10 0 BDAEMP CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862538 384805580 /nfs/dbraw/zinc/80/55/80/384805580.db2.gz KABAAKVGNZZPSL-LLVKDONJSA-N 2 1 214.353 1.031 10 0 BDAEMP COc1ccccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258767851 384943400 /nfs/dbraw/zinc/94/34/00/384943400.db2.gz AJGYANNBUQMNPZ-NSHDSACASA-N 2 1 220.316 1.394 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1ccc(Br)s1 ZINC000259302433 385180813 /nfs/dbraw/zinc/18/08/13/385180813.db2.gz KEQUKSIEDQJMQV-YFKPBYRVSA-N 2 1 235.150 1.859 10 0 BDAEMP COC1(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)CCCC1 ZINC000318914364 385522226 /nfs/dbraw/zinc/52/22/26/385522226.db2.gz BZXYENVVHZJDCY-MNOVXSKESA-N 2 1 212.337 1.367 10 0 BDAEMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@@H]1CCSC1)CC2 ZINC000309594584 385718191 /nfs/dbraw/zinc/71/81/91/385718191.db2.gz HZUZXMFMUXGTHH-WDEREUQCSA-N 2 1 237.372 1.541 10 0 BDAEMP CC1(C)CSC[C@](C[NH3+])([NH+]2CCC2)C1 ZINC000307132592 385938399 /nfs/dbraw/zinc/93/83/99/385938399.db2.gz HBXCMARRSXOZHR-NSHDSACASA-N 2 1 214.378 1.553 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336666662 386294047 /nfs/dbraw/zinc/29/40/47/386294047.db2.gz LJSRWBHDGWSQKC-NWDGAFQWSA-N 2 1 228.380 1.277 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000335261177 386321126 /nfs/dbraw/zinc/32/11/26/386321126.db2.gz TUCZUWYQMVZGTP-GWCFXTLKSA-N 2 1 232.327 1.708 10 0 BDAEMP c1ccc2[nH+]c(NCC3CC[NH2+]CC3)[nH]c2c1 ZINC000034583972 386450504 /nfs/dbraw/zinc/45/05/04/386450504.db2.gz RKTKILLHVKYTEO-UHFFFAOYSA-N 2 1 230.315 1.974 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCOCC1 ZINC000396571935 386782368 /nfs/dbraw/zinc/78/23/68/386782368.db2.gz AWSFAMYQHODNIJ-GMXVVIOVSA-N 2 1 226.364 1.532 10 0 BDAEMP CC[C@H]1CS[C@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575575804 387004933 /nfs/dbraw/zinc/00/49/33/387004933.db2.gz NTCSWBWHMKXVBZ-UWVGGRQHSA-N 2 1 200.351 1.571 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCS2)[C@H]1C ZINC000575585802 387145932 /nfs/dbraw/zinc/14/59/32/387145932.db2.gz XMJQOFIOHQIRLF-KXUCPTDWSA-N 2 1 200.351 1.032 10 0 BDAEMP CC(C)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000536955024 387168120 /nfs/dbraw/zinc/16/81/20/387168120.db2.gz OLUWZHNGYGQWGX-RWMBFGLXSA-N 2 1 210.365 1.962 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@]1(CN)CCS[C@H]1C ZINC000575589090 387186872 /nfs/dbraw/zinc/18/68/72/387186872.db2.gz GKQRHCAGWWNUFP-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CCS[C@H]1C ZINC000575589090 387186875 /nfs/dbraw/zinc/18/68/75/387186875.db2.gz GKQRHCAGWWNUFP-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CCS[C@H]1C ZINC000575589090 387186877 /nfs/dbraw/zinc/18/68/77/387186877.db2.gz GKQRHCAGWWNUFP-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@]1(C(N)=[NH2+])CC[N@@H+](Cc2ccccc2)C1 ZINC000575517983 387433259 /nfs/dbraw/zinc/43/32/59/387433259.db2.gz YZYJONZFHYDFBN-ZDUSSCGKSA-N 2 1 217.316 1.835 10 0 BDAEMP C[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCS2)C1 ZINC000575523945 387456911 /nfs/dbraw/zinc/45/69/11/387456911.db2.gz ZRYHGSOSBPGGFU-VHSXEESVSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCS2)C1 ZINC000575523945 387456913 /nfs/dbraw/zinc/45/69/13/387456913.db2.gz ZRYHGSOSBPGGFU-VHSXEESVSA-N 2 1 200.351 1.033 10 0 BDAEMP CC[N@H+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422743031 387690127 /nfs/dbraw/zinc/69/01/27/387690127.db2.gz STODBIXONWTGDV-RBKKPWLPSA-N 2 1 237.391 1.343 10 0 BDAEMP CCN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422743031 387690132 /nfs/dbraw/zinc/69/01/32/387690132.db2.gz STODBIXONWTGDV-RBKKPWLPSA-N 2 1 237.391 1.343 10 0 BDAEMP C[C@@H]([NH2+]CCN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643459130 387832747 /nfs/dbraw/zinc/83/27/47/387832747.db2.gz BCVANIZKEUJYAX-KGLIPLIRSA-N 2 1 239.407 1.450 10 0 BDAEMP C(C[NH2+][C@@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000423035449 387851154 /nfs/dbraw/zinc/85/11/54/387851154.db2.gz JMQOXNJUHGTQBC-VXGBXAGGSA-N 2 1 212.337 1.287 10 0 BDAEMP C[C@H]1CC[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)O1 ZINC000193606341 387858761 /nfs/dbraw/zinc/85/87/61/387858761.db2.gz BGXOKFMKDHJIEB-WUHRBBMRSA-N 2 1 224.348 1.047 10 0 BDAEMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)O1 ZINC000193606341 387858764 /nfs/dbraw/zinc/85/87/64/387858764.db2.gz BGXOKFMKDHJIEB-WUHRBBMRSA-N 2 1 224.348 1.047 10 0 BDAEMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3C=CCCC3)C[C@@H]2C1 ZINC000193612511 387859676 /nfs/dbraw/zinc/85/96/76/387859676.db2.gz IMHJIPGNCJXQNT-XQQFMLRXSA-N 2 1 206.333 1.589 10 0 BDAEMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3C=CCCC3)C[C@@H]2C1 ZINC000193612511 387859678 /nfs/dbraw/zinc/85/96/78/387859678.db2.gz IMHJIPGNCJXQNT-XQQFMLRXSA-N 2 1 206.333 1.589 10 0 BDAEMP CC[NH+](CC)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245686372 387970928 /nfs/dbraw/zinc/97/09/28/387970928.db2.gz VGHWQMZJUYDPCV-ZIAGYGMSSA-N 2 1 239.407 1.497 10 0 BDAEMP COCC[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336661357 388106080 /nfs/dbraw/zinc/10/60/80/388106080.db2.gz CBUSRTOBUSMZQS-BJDJZHNGSA-N 2 1 212.337 1.081 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248373903 388676755 /nfs/dbraw/zinc/67/67/55/388676755.db2.gz MIWZJQIGWQFDEC-STQMWFEESA-N 2 1 242.407 1.810 10 0 BDAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC=C(Cl)C2)C1 ZINC000575456797 388789187 /nfs/dbraw/zinc/78/91/87/388789187.db2.gz RXTCBECWSGYKBI-WAAGHKOSSA-N 2 1 200.713 1.552 10 0 BDAEMP CC1C[NH+]([C@@]2(C[NH3+])CCS[C@H]2C)C1 ZINC000575462956 388828883 /nfs/dbraw/zinc/82/88/83/388828883.db2.gz QMQWYOOWRFRSIG-VHSXEESVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1C[N@@H+](CC2CSC2)CC[C@H]1[NH3+] ZINC000575488497 388880229 /nfs/dbraw/zinc/88/02/29/388880229.db2.gz SMDQROCNKRCAIN-WCBMZHEXSA-N 2 1 200.351 1.019 10 0 BDAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]12C[C@@H]([NH3+])CO2 ZINC000575508448 389001864 /nfs/dbraw/zinc/00/18/64/389001864.db2.gz LXOGYKJKBIUWKC-NWANDNLSSA-N 2 1 246.354 1.767 10 0 BDAEMP CCN(C)C(=O)C[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000037223150 169668365 /nfs/dbraw/zinc/66/83/65/169668365.db2.gz WSRRPBYSOYVPHN-UHFFFAOYSA-N 2 1 249.358 1.055 10 0 BDAEMP CCN(C)C(=O)C[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000037223150 169668368 /nfs/dbraw/zinc/66/83/68/169668368.db2.gz WSRRPBYSOYVPHN-UHFFFAOYSA-N 2 1 249.358 1.055 10 0 BDAEMP Cc1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000070178358 132230226 /nfs/dbraw/zinc/23/02/26/132230226.db2.gz CBTHQLFKKDOPOO-SKDRFNHKSA-N 2 1 234.347 1.657 10 0 BDAEMP CCc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000234156601 132344689 /nfs/dbraw/zinc/34/46/89/132344689.db2.gz FGIJBMOROSHGLO-GXFFZTMASA-N 2 1 248.374 1.911 10 0 BDAEMP C[NH+](C)CC1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000042392979 132351207 /nfs/dbraw/zinc/35/12/07/132351207.db2.gz ATFKEGRHFXTITM-UHFFFAOYSA-N 2 1 234.347 1.442 10 0 BDAEMP CCC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183870930 134356927 /nfs/dbraw/zinc/35/69/27/134356927.db2.gz ZFTHNAAVHMWNDL-PSEXLTFBSA-N 2 1 226.364 1.362 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN1CC[N@H+]2CCC[C@H]2C1 ZINC000251448037 135069810 /nfs/dbraw/zinc/06/98/10/135069810.db2.gz WRAHSUAYUPGDRC-STQMWFEESA-N 2 1 225.380 1.140 10 0 BDAEMP Cc1cccc(N2CCC3(C2)CC[NH2+]CC3)[nH+]1 ZINC000257740674 135140509 /nfs/dbraw/zinc/14/05/09/135140509.db2.gz SKIHLZFLNMRXSS-UHFFFAOYSA-N 2 1 231.343 1.970 10 0 BDAEMP Cc1cc[nH+]c(N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261575443 135216836 /nfs/dbraw/zinc/21/68/36/135216836.db2.gz JTAKLSIXANFKLK-LLVKDONJSA-N 2 1 219.332 1.954 10 0 BDAEMP C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[C@H](C)[NH3+] ZINC000261582403 135223096 /nfs/dbraw/zinc/22/30/96/135223096.db2.gz RDQUMQPTINBFQJ-YIZRAAEISA-N 2 1 248.330 1.243 10 0 BDAEMP CC1(C)C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261997997 135270590 /nfs/dbraw/zinc/27/05/90/135270590.db2.gz SZZWDMBPLYOOSB-RYUDHWBXSA-N 2 1 226.364 1.472 10 0 BDAEMP CC(C)[C@H]([NH3+])CNc1[nH+]c2ccccc2n1C ZINC000079048774 135396849 /nfs/dbraw/zinc/39/68/49/135396849.db2.gz QUHSKPOMWOQYPP-SNVBAGLBSA-N 2 1 232.331 1.969 10 0 BDAEMP Cc1nc(CN(C)C[C@@H]2CC[N@@H+](C)C2)[nH]c1C ZINC000628243143 397732820 /nfs/dbraw/zinc/73/28/20/397732820.db2.gz FKOOXNMZGHKQFQ-GFCCVEGCSA-N 2 1 236.363 1.410 10 0 BDAEMP NC[C@]1([N@@H+]2CCCSCC2)CCSC1 ZINC000042443628 398015910 /nfs/dbraw/zinc/01/59/10/398015910.db2.gz BMSYWRYTUPEQBQ-SNVBAGLBSA-N 2 1 232.418 1.260 10 0 BDAEMP NC[C@]1([N@H+]2CCCSCC2)CCSC1 ZINC000042443628 398015915 /nfs/dbraw/zinc/01/59/15/398015915.db2.gz BMSYWRYTUPEQBQ-SNVBAGLBSA-N 2 1 232.418 1.260 10 0 BDAEMP [NH3+]C[C@]1([N@@H+]2CCCSCC2)CCSC1 ZINC000042443628 398015917 /nfs/dbraw/zinc/01/59/17/398015917.db2.gz BMSYWRYTUPEQBQ-SNVBAGLBSA-N 2 1 232.418 1.260 10 0 BDAEMP [NH3+]C[C@]1([N@H+]2CCCSCC2)CCSC1 ZINC000042443628 398015921 /nfs/dbraw/zinc/01/59/21/398015921.db2.gz BMSYWRYTUPEQBQ-SNVBAGLBSA-N 2 1 232.418 1.260 10 0 BDAEMP CCc1nc(NCCC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000650310994 398094817 /nfs/dbraw/zinc/09/48/17/398094817.db2.gz IQXPLPJOJVKDEZ-UHFFFAOYSA-N 2 1 248.374 1.571 10 0 BDAEMP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396644433 398112833 /nfs/dbraw/zinc/11/28/33/398112833.db2.gz BWGNRIDTRPQVHH-UTUOFQBUSA-N 2 1 222.336 1.002 10 0 BDAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000309641636 167107380 /nfs/dbraw/zinc/10/73/80/167107380.db2.gz UTBBOGKLZNWTOU-QWHCGFSZSA-N 2 1 226.364 1.343 10 0 BDAEMP CC(C)[NH2+]CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000309641636 167107382 /nfs/dbraw/zinc/10/73/82/167107382.db2.gz UTBBOGKLZNWTOU-QWHCGFSZSA-N 2 1 226.364 1.343 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CCN(CC[N@@H+](C)C(C)C)C1 ZINC000054127391 167114389 /nfs/dbraw/zinc/11/43/89/167114389.db2.gz FRNYQCMICCTDSS-CQSZACIVSA-N 2 1 241.423 1.647 10 0 BDAEMP Cc1cccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)[nH+]1 ZINC000393848271 410766786 /nfs/dbraw/zinc/76/67/86/410766786.db2.gz SOTWYHCNJFYILF-JSGCOSHPSA-N 2 1 231.343 1.955 10 0 BDAEMP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCC[C@@H]1CO ZINC000051254895 167002779 /nfs/dbraw/zinc/00/27/79/167002779.db2.gz PDAMWORFFSFFCC-CYBMUJFWSA-N 2 1 242.407 1.715 10 0 BDAEMP CC(C)[NH2+]C[C@@]1(C[N@@H+](C)C2CC2)CCCOC1 ZINC000104311861 167114155 /nfs/dbraw/zinc/11/41/55/167114155.db2.gz WJGPYIGRMATNRM-CQSZACIVSA-N 2 1 240.391 1.875 10 0 BDAEMP CC(C)[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000375839890 167385238 /nfs/dbraw/zinc/38/52/38/167385238.db2.gz JUWXEGFOQLUDBK-MNOVXSKESA-N 2 1 207.321 1.832 10 0 BDAEMP Cn1cc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cn1 ZINC000310394189 411234797 /nfs/dbraw/zinc/23/47/97/411234797.db2.gz JHUQBBLCNJXBEL-DGCLKSJQSA-N 2 1 234.347 1.167 10 0 BDAEMP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455859 168294861 /nfs/dbraw/zinc/29/48/61/168294861.db2.gz YHZURIFYTSUHDM-QWRGUYRKSA-N 2 1 243.395 1.206 10 0 BDAEMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455859 168294863 /nfs/dbraw/zinc/29/48/63/168294863.db2.gz YHZURIFYTSUHDM-QWRGUYRKSA-N 2 1 243.395 1.206 10 0 BDAEMP CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000037034914 170086546 /nfs/dbraw/zinc/08/65/46/170086546.db2.gz TZAMYGBVOOCOHA-LLVKDONJSA-N 2 1 249.358 1.102 10 0 BDAEMP CC[NH2+]C1CC[NH+]([C@@H](C)[C@@H]2CCCO2)CC1 ZINC000035735967 170109270 /nfs/dbraw/zinc/10/92/70/170109270.db2.gz KYKGSAUACLDJBE-AAEUAGOBSA-N 2 1 226.364 1.628 10 0 BDAEMP CC[NH2+]C1CC[NH+]([C@@H](C)[C@H]2CCCO2)CC1 ZINC000035735969 170109455 /nfs/dbraw/zinc/10/94/55/170109455.db2.gz KYKGSAUACLDJBE-WCQYABFASA-N 2 1 226.364 1.628 10 0 BDAEMP CC[NH2+]CC1(C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182180 170111083 /nfs/dbraw/zinc/11/10/83/170111083.db2.gz DZOFWJNSHFLJRV-ZDUSSCGKSA-N 2 1 240.391 1.735 10 0 BDAEMP CC[NH2+]CCNCCC[N@H+]1CCCC[C@H]1C ZINC000049475198 170115250 /nfs/dbraw/zinc/11/52/50/170115250.db2.gz CYQCBGKOVVYMLI-CYBMUJFWSA-N 2 1 227.396 1.450 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)nc2)C1 ZINC000062053798 170119647 /nfs/dbraw/zinc/11/96/47/170119647.db2.gz CTHWMHYOJYLNCJ-AWEZNQCLSA-N 2 1 233.359 1.821 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000062053798 170119649 /nfs/dbraw/zinc/11/96/49/170119649.db2.gz CTHWMHYOJYLNCJ-AWEZNQCLSA-N 2 1 233.359 1.821 10 0 BDAEMP CC[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000051491111 170126349 /nfs/dbraw/zinc/12/63/49/170126349.db2.gz ABFUBOACGATYBP-UHFFFAOYSA-N 2 1 216.288 1.685 10 0 BDAEMP CC[NH2+]Cc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000051437392 170127391 /nfs/dbraw/zinc/12/73/91/170127391.db2.gz CYESEJMDCPDDQK-UHFFFAOYSA-N 2 1 248.374 1.333 10 0 BDAEMP CC[NH2+]Cc1csc(N2CC[NH+](C)CC2)n1 ZINC000062214927 170129994 /nfs/dbraw/zinc/12/99/94/170129994.db2.gz RXCAKGJNPIDSKB-UHFFFAOYSA-N 2 1 240.376 1.004 10 0 BDAEMP CC[NH2+]Cc1coc(C[N@@H+](C)CCCOC)c1 ZINC000062036152 170130620 /nfs/dbraw/zinc/13/06/20/170130620.db2.gz KAGLKRYAMJKALQ-UHFFFAOYSA-N 2 1 240.347 1.857 10 0 BDAEMP CC[NH2+][C@@H](C)Cc1csc(C[NH+](C)C)n1 ZINC000076793566 170140247 /nfs/dbraw/zinc/14/02/47/170140247.db2.gz FEAJRNOSFNXEGS-VIFPVBQESA-N 2 1 227.377 1.745 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)[C@H](C)C1 ZINC000104193756 170151449 /nfs/dbraw/zinc/15/14/49/170151449.db2.gz ZQSCLSIUWGHPNX-TZMCWYRMSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@H]1CN1CCC[N@@H+](C)CC1 ZINC000053863881 170166593 /nfs/dbraw/zinc/16/65/93/170166593.db2.gz LZTIQRWRVUESEI-KBPBESRZSA-N 2 1 239.407 1.402 10 0 BDAEMP CCOC(CN(C)C[C@H]1CC[N@@H+](C)C1)OCC ZINC000104357644 170314587 /nfs/dbraw/zinc/31/45/87/170314587.db2.gz TWZRXJXUQWHHMO-LBPRGKRZSA-N 2 1 244.379 1.269 10 0 BDAEMP CCOC(C[N@H+](C)C[C@H]1CC[NH+](C)C1)OCC ZINC000104357644 170314588 /nfs/dbraw/zinc/31/45/88/170314588.db2.gz TWZRXJXUQWHHMO-LBPRGKRZSA-N 2 1 244.379 1.269 10 0 BDAEMP CCOC(C[N@@H+](C)C[C@H]1CC[NH+](C)C1)OCC ZINC000104357644 170314590 /nfs/dbraw/zinc/31/45/90/170314590.db2.gz TWZRXJXUQWHHMO-LBPRGKRZSA-N 2 1 244.379 1.269 10 0 BDAEMP CCOC(C[NH+](C)C[C@H]1CC[N@H+](C)C1)OCC ZINC000104357644 170314592 /nfs/dbraw/zinc/31/45/92/170314592.db2.gz TWZRXJXUQWHHMO-LBPRGKRZSA-N 2 1 244.379 1.269 10 0 BDAEMP CCOC(C[NH+](C)C[C@H]1CC[N@@H+](C)C1)OCC ZINC000104357644 170314593 /nfs/dbraw/zinc/31/45/93/170314593.db2.gz TWZRXJXUQWHHMO-LBPRGKRZSA-N 2 1 244.379 1.269 10 0 BDAEMP CC[C@@H]1CC[N@H+](CCc2cccnc2)CC[NH2+]1 ZINC000049662243 171011684 /nfs/dbraw/zinc/01/16/84/171011684.db2.gz SVSCKMFMJUAJNF-CQSZACIVSA-N 2 1 233.359 1.698 10 0 BDAEMP CC[C@@H]1CC[N@@H+](CCc2cccnc2)CC[NH2+]1 ZINC000049662243 171011686 /nfs/dbraw/zinc/01/16/86/171011686.db2.gz SVSCKMFMJUAJNF-CQSZACIVSA-N 2 1 233.359 1.698 10 0 BDAEMP CC[C@@H]1CC[N@H+]([C@@H](C)COC)CCC[NH2+]1 ZINC000049663774 171013756 /nfs/dbraw/zinc/01/37/56/171013756.db2.gz HBLOHZHOWQJVMT-NWDGAFQWSA-N 2 1 214.353 1.485 10 0 BDAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C1CC[NH2+]CC1 ZINC000042450894 171108364 /nfs/dbraw/zinc/10/83/64/171108364.db2.gz LIDTYMGIEVDQHH-WDEREUQCSA-N 2 1 212.337 1.238 10 0 BDAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C1CC[NH2+]CC1 ZINC000042450894 171108366 /nfs/dbraw/zinc/10/83/66/171108366.db2.gz LIDTYMGIEVDQHH-WDEREUQCSA-N 2 1 212.337 1.238 10 0 BDAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@]1(CC)CC[NH2+]C1 ZINC000062911635 171109863 /nfs/dbraw/zinc/10/98/63/171109863.db2.gz REBGXYGCAKSNRS-BFHYXJOUSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@]1(CC)CC[NH2+]C1 ZINC000062911635 171109865 /nfs/dbraw/zinc/10/98/65/171109865.db2.gz REBGXYGCAKSNRS-BFHYXJOUSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+]1CCC[C@H](O)C1 ZINC000051257225 171167429 /nfs/dbraw/zinc/16/74/29/171167429.db2.gz VYNNLOPZFYHWRD-KBPBESRZSA-N 2 1 242.407 1.857 10 0 BDAEMP CC[C@H](C)[C@@H](C[NH3+])[N@H+](CCCOC)CCOC ZINC000042420764 171368486 /nfs/dbraw/zinc/36/84/86/171368486.db2.gz IAYUIOJHAQQMTR-QWHCGFSZSA-N 2 1 246.395 1.345 10 0 BDAEMP CC[C@H](C)[C@@H](C[NH3+])[N@@H+](CCCOC)CCOC ZINC000042420764 171368488 /nfs/dbraw/zinc/36/84/88/171368488.db2.gz IAYUIOJHAQQMTR-QWHCGFSZSA-N 2 1 246.395 1.345 10 0 BDAEMP CC[C@H](C)[C@@H]([NH3+])C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388634 171372988 /nfs/dbraw/zinc/37/29/88/171372988.db2.gz VRIIZXJZWXAYHU-JSGCOSHPSA-N 3 1 241.423 1.633 10 0 BDAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+](CCCOC)CCOC ZINC000042425424 171396522 /nfs/dbraw/zinc/39/65/22/171396522.db2.gz BDKMOKGOXSCHRA-QWHCGFSZSA-N 2 1 246.395 1.345 10 0 BDAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+](CCCOC)CCOC ZINC000042425424 171396523 /nfs/dbraw/zinc/39/65/23/171396523.db2.gz BDKMOKGOXSCHRA-QWHCGFSZSA-N 2 1 246.395 1.345 10 0 BDAEMP CCc1cc(N[C@@H](C)C[NH2+]C)nc(C)[nH+]1 ZINC000663278417 412401112 /nfs/dbraw/zinc/40/11/12/412401112.db2.gz IBPTXCQWZNTODR-QMMMGPOBSA-N 2 1 208.309 1.367 10 0 BDAEMP CCn1cccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000085608719 172207112 /nfs/dbraw/zinc/20/71/12/172207112.db2.gz LDFVHOIJKIXOCT-UHFFFAOYSA-N 2 1 221.348 1.692 10 0 BDAEMP CN1CCC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952490 173015258 /nfs/dbraw/zinc/01/52/58/173015258.db2.gz SAUIUVLZZHNYQM-AWEZNQCLSA-N 2 1 239.407 1.546 10 0 BDAEMP C[N@@H+]1CCCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952490 173015261 /nfs/dbraw/zinc/01/52/61/173015261.db2.gz SAUIUVLZZHNYQM-AWEZNQCLSA-N 2 1 239.407 1.546 10 0 BDAEMP C[N@H+]1CCCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952490 173015263 /nfs/dbraw/zinc/01/52/63/173015263.db2.gz SAUIUVLZZHNYQM-AWEZNQCLSA-N 2 1 239.407 1.546 10 0 BDAEMP C[N@H+]1CCC[C@@H]1CCOC1CC[NH2+]CC1 ZINC000040240612 173027558 /nfs/dbraw/zinc/02/75/58/173027558.db2.gz DUUDWIPPCSGUPX-LLVKDONJSA-N 2 1 212.337 1.239 10 0 BDAEMP C[N@H+]1CCC[C@@H]1CCOc1ccnc(C(N)=[NH2+])c1 ZINC000061814641 173028250 /nfs/dbraw/zinc/02/82/50/173028250.db2.gz FGWXGMSRHJLONC-SNVBAGLBSA-N 2 1 248.330 1.229 10 0 BDAEMP C[N@H+]1CCC[C@H](Nc2cc[nH+]cc2N)C1 ZINC000040715740 173045584 /nfs/dbraw/zinc/04/55/84/173045584.db2.gz RXEQYLNITPEZMN-VIFPVBQESA-N 2 1 206.293 1.170 10 0 BDAEMP C[N@H+]1CCC[C@H]1CCOCCC[NH2+]C1CC1 ZINC000052673126 173052317 /nfs/dbraw/zinc/05/23/17/173052317.db2.gz IUEWLZFMHCMDEC-ZDUSSCGKSA-N 2 1 226.364 1.629 10 0 BDAEMP 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CN(C1CCCCC1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990035 173162206 /nfs/dbraw/zinc/16/22/06/173162206.db2.gz NYAYUFMJEASGLK-CYBMUJFWSA-N 2 1 225.380 1.284 10 0 BDAEMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCC[C@H]3O)C2)C1 ZINC000310464747 173166503 /nfs/dbraw/zinc/16/65/03/173166503.db2.gz ZAIUNIFATQGSIC-MCIONIFRSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)C1 ZINC000310464747 173166507 /nfs/dbraw/zinc/16/65/07/173166507.db2.gz ZAIUNIFATQGSIC-MCIONIFRSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCC[C@H]3O)C2)C1 ZINC000310464747 173166508 /nfs/dbraw/zinc/16/65/08/173166508.db2.gz ZAIUNIFATQGSIC-MCIONIFRSA-N 2 1 238.375 1.318 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC[C@@H]1CCCO1)C2 ZINC000038096018 173206871 /nfs/dbraw/zinc/20/68/71/173206871.db2.gz IHYYJOFPQYHYDE-GSPSYOTPSA-N 2 1 238.375 1.770 10 0 BDAEMP C[NH2+]CC1(C[NH+]2CCSCC2)CCOCC1 ZINC000052181135 173337539 /nfs/dbraw/zinc/33/75/39/173337539.db2.gz DIRJELNHOUJJRA-UHFFFAOYSA-N 2 1 244.404 1.051 10 0 BDAEMP C[NH2+]CC[C@@H](O)C[N@@H+](C)C1CCCCCC1 ZINC000077342808 173358425 /nfs/dbraw/zinc/35/84/25/173358425.db2.gz PDEPMNFREIJGNY-CYBMUJFWSA-N 2 1 228.380 1.611 10 0 BDAEMP C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095075957 173371427 /nfs/dbraw/zinc/37/14/27/173371427.db2.gz TVCKUIRPRSAEMK-KGLIPLIRSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095075957 173371428 /nfs/dbraw/zinc/37/14/28/173371428.db2.gz TVCKUIRPRSAEMK-KGLIPLIRSA-N 2 1 234.343 1.089 10 0 BDAEMP COCCC[N@H+](CCOC)C[C@@](C)([NH3+])C1CC1 ZINC000042425446 174224266 /nfs/dbraw/zinc/22/42/66/174224266.db2.gz HJHJIJWMWMIZES-CYBMUJFWSA-N 2 1 244.379 1.099 10 0 BDAEMP COCCC[N@@H+](CCOC)C[C@@](C)([NH3+])C1CC1 ZINC000042425446 174224268 /nfs/dbraw/zinc/22/42/68/174224268.db2.gz HJHJIJWMWMIZES-CYBMUJFWSA-N 2 1 244.379 1.099 10 0 BDAEMP COCCC[N@H+](CCOC)C[C@](C)([NH3+])C1CC1 ZINC000042425447 174224936 /nfs/dbraw/zinc/22/49/36/174224936.db2.gz HJHJIJWMWMIZES-ZDUSSCGKSA-N 2 1 244.379 1.099 10 0 BDAEMP COCCC[N@@H+](CCOC)C[C@](C)([NH3+])C1CC1 ZINC000042425447 174224937 /nfs/dbraw/zinc/22/49/37/174224937.db2.gz HJHJIJWMWMIZES-ZDUSSCGKSA-N 2 1 244.379 1.099 10 0 BDAEMP COCC[N@H+](CC1([NH3+])CCCC1)[C@H](C)COC ZINC000042610821 174288847 /nfs/dbraw/zinc/28/88/47/174288847.db2.gz NSVDGXOTLWONSU-GFCCVEGCSA-N 2 1 244.379 1.241 10 0 BDAEMP COCC[N@@H+](CC1([NH3+])CCCC1)[C@H](C)COC ZINC000042610821 174288848 /nfs/dbraw/zinc/28/88/48/174288848.db2.gz NSVDGXOTLWONSU-GFCCVEGCSA-N 2 1 244.379 1.241 10 0 BDAEMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)C1CC1 ZINC000042689331 174289396 /nfs/dbraw/zinc/28/93/96/174289396.db2.gz OQIPAPOWUQKFNJ-GFCCVEGCSA-N 2 1 240.391 1.733 10 0 BDAEMP COCC[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665413 174312808 /nfs/dbraw/zinc/31/28/08/174312808.db2.gz ULQFBZHIXWRLGL-PHIMTYICSA-N 2 1 200.326 1.095 10 0 BDAEMP COc1ccc(CC[N@@H+](C)C[C@H](C)C[NH3+])cc1 ZINC000049828326 175089678 /nfs/dbraw/zinc/08/96/78/175089678.db2.gz BYTYJGKLLPBJSV-GFCCVEGCSA-N 2 1 236.359 1.764 10 0 BDAEMP COc1cccc([C@@H]([NH3+])Cn2cc[nH+]c2C)c1 ZINC000038827595 175288500 /nfs/dbraw/zinc/28/85/00/175288500.db2.gz IZCSFBBNGYJHRT-ZDUSSCGKSA-N 2 1 231.299 1.900 10 0 BDAEMP C[C@@H](c1ccco1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068232 176032025 /nfs/dbraw/zinc/03/20/25/176032025.db2.gz QETGLPQNBRJOOA-WDEREUQCSA-N 2 1 208.305 1.882 10 0 BDAEMP C[C@@H](c1ccco1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068232 176032028 /nfs/dbraw/zinc/03/20/28/176032028.db2.gz QETGLPQNBRJOOA-WDEREUQCSA-N 2 1 208.305 1.882 10 0 BDAEMP C[C@@H]1CCC[N@@H+](Cc2occc2C[NH3+])C1 ZINC000052381304 176103122 /nfs/dbraw/zinc/10/31/22/176103122.db2.gz AIGDRZOILPDMCD-SNVBAGLBSA-N 2 1 208.305 1.970 10 0 BDAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)CCNCC[NH+](C)C)C1 ZINC000053426676 176120888 /nfs/dbraw/zinc/12/08/88/176120888.db2.gz MLRURICTDAQGJO-ZIAGYGMSSA-N 2 1 241.423 1.648 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H](N2CCC[N@H+](C)CC2)C1 ZINC000037158691 176201719 /nfs/dbraw/zinc/20/17/19/176201719.db2.gz AAJVSSPNCRHFNT-HZSPNIEDSA-N 2 1 239.407 1.387 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H](N2CCC[N@@H+](C)CC2)C1 ZINC000037158691 176201720 /nfs/dbraw/zinc/20/17/20/176201720.db2.gz AAJVSSPNCRHFNT-HZSPNIEDSA-N 2 1 239.407 1.387 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CC1CCOCC1 ZINC000052173161 176202071 /nfs/dbraw/zinc/20/20/71/176202071.db2.gz FOCBECLADCKFDF-YPMHNXCESA-N 2 1 226.364 1.472 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051693979 176279186 /nfs/dbraw/zinc/27/91/86/176279186.db2.gz DZSBLBNHPNQMBA-AYZDXNEBSA-N 3 1 239.407 1.575 10 0 BDAEMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051693979 176279187 /nfs/dbraw/zinc/27/91/87/176279187.db2.gz DZSBLBNHPNQMBA-AYZDXNEBSA-N 2 1 239.407 1.575 10 0 BDAEMP C[C@@H]1C[N@@H+](CCc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712375 176293660 /nfs/dbraw/zinc/29/36/60/176293660.db2.gz UMDAPTVHJKHRMV-YPMHNXCESA-N 2 1 219.332 1.293 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@H](C[NH3+])CC(C)(C)C)CCCO1 ZINC000061916050 176318070 /nfs/dbraw/zinc/31/80/70/176318070.db2.gz FCJBDABWYKTHSK-NEPJUHHUSA-N 2 1 228.380 1.861 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H](C[NH3+])CC(C)(C)C)CCCO1 ZINC000061916050 176318072 /nfs/dbraw/zinc/31/80/72/176318072.db2.gz FCJBDABWYKTHSK-NEPJUHHUSA-N 2 1 228.380 1.861 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@H+](Cc2ccco2)C1 ZINC000049664343 176324573 /nfs/dbraw/zinc/32/45/73/176324573.db2.gz POUVOKNHERFYRQ-LLVKDONJSA-N 2 1 208.305 1.711 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](Cc2ccco2)C1 ZINC000049664343 176324574 /nfs/dbraw/zinc/32/45/74/176324574.db2.gz POUVOKNHERFYRQ-LLVKDONJSA-N 2 1 208.305 1.711 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)CN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000049667050 176328856 /nfs/dbraw/zinc/32/88/56/176328856.db2.gz WJSCNCGKRFIQIG-MGPQQGTHSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)CN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000049667050 176328858 /nfs/dbraw/zinc/32/88/58/176328858.db2.gz WJSCNCGKRFIQIG-MGPQQGTHSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@@H]1COCC[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952659 176335455 /nfs/dbraw/zinc/33/54/55/176335455.db2.gz ABCLVLLXWSRJPI-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccncc1 ZINC000049712965 176370480 /nfs/dbraw/zinc/37/04/80/176370480.db2.gz CFKBVIKHHCBRTB-YPMHNXCESA-N 2 1 219.332 1.436 10 0 BDAEMP C[C@H](c1ccco1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068233 177047669 /nfs/dbraw/zinc/04/76/69/177047669.db2.gz QETGLPQNBRJOOA-GHMZBOCLSA-N 2 1 208.305 1.882 10 0 BDAEMP C[C@H](c1ccco1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068233 177047671 /nfs/dbraw/zinc/04/76/71/177047671.db2.gz QETGLPQNBRJOOA-GHMZBOCLSA-N 2 1 208.305 1.882 10 0 BDAEMP C[C@H]1CCC[N@H+]1[C@]1(CN)CCCSC1 ZINC000061590096 177111871 /nfs/dbraw/zinc/11/18/71/177111871.db2.gz JEUHZEMNUUGWGO-QWRGUYRKSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@H]1CCC[N@@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000061590096 177111872 /nfs/dbraw/zinc/11/18/72/177111872.db2.gz JEUHZEMNUUGWGO-QWRGUYRKSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@H]1CCC[N@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000061590096 177111873 /nfs/dbraw/zinc/11/18/73/177111873.db2.gz JEUHZEMNUUGWGO-QWRGUYRKSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000044510699 177160375 /nfs/dbraw/zinc/16/03/75/177160375.db2.gz MQACKZGAGONALR-STQMWFEESA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@H]1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000044538705 177162318 /nfs/dbraw/zinc/16/23/18/177162318.db2.gz UUUJKKJBLGYMPV-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H]1CC[N@H+](Cc2ccco2)CCC[NH2+]1 ZINC000049664325 177165641 /nfs/dbraw/zinc/16/56/41/177165641.db2.gz WMNHKJHUQGGVTO-NSHDSACASA-N 2 1 208.305 1.854 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2ccco2)CCC[NH2+]1 ZINC000049664325 177165642 /nfs/dbraw/zinc/16/56/42/177165642.db2.gz WMNHKJHUQGGVTO-NSHDSACASA-N 2 1 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234.343 1.755 10 0 BDAEMP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000035782981 177265085 /nfs/dbraw/zinc/26/50/85/177265085.db2.gz SPYKDNNQICEYIY-NEPJUHHUSA-N 2 1 234.343 1.755 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@H+](CCc2ccncc2)C1 ZINC000049662226 177283305 /nfs/dbraw/zinc/28/33/05/177283305.db2.gz YBEJPVLKTZJIQY-LBPRGKRZSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@@H+](CCc2ccncc2)C1 ZINC000049662226 177283306 /nfs/dbraw/zinc/28/33/06/177283306.db2.gz YBEJPVLKTZJIQY-LBPRGKRZSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@@H]([C@@H]1CCCO1)[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666231 177285486 /nfs/dbraw/zinc/28/54/86/177285486.db2.gz UMPBXFGHWKISGW-CRWXNKLISA-N 2 1 240.391 1.731 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](Cc2ccncc2)C1 ZINC000049666623 177286040 /nfs/dbraw/zinc/28/60/40/177286040.db2.gz SMDSWWCRVNJVQB-BETUJISGSA-N 2 1 233.359 1.759 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CCc2ccncc2)C1 ZINC000049666820 177286145 /nfs/dbraw/zinc/28/61/45/177286145.db2.gz NMYNZILLPNQADY-OKILXGFUSA-N 2 1 247.386 1.802 10 0 BDAEMP C[C@H]1CSC(N[C@H]2CCC[N@@H+](C)C2)=[NH+]1 ZINC000040715981 177303086 /nfs/dbraw/zinc/30/30/86/177303086.db2.gz JSPSGHVKGQGLOJ-IUCAKERBSA-N 2 1 213.350 1.162 10 0 BDAEMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)CC[N@H+]1C ZINC000132836058 177371119 /nfs/dbraw/zinc/37/11/19/177371119.db2.gz LOOBJBFPGJOIDU-XQQFMLRXSA-N 2 1 226.364 1.628 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000245607954 487702096 /nfs/dbraw/zinc/70/20/96/487702096.db2.gz KNJHTZMOLBUVST-YNEHKIRRSA-N 2 1 226.364 1.173 10 0 BDAEMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000250891217 487742993 /nfs/dbraw/zinc/74/29/93/487742993.db2.gz XNTOFBBFFAAPSX-XQQFMLRXSA-N 2 1 224.348 1.239 10 0 BDAEMP C([C@H]1CC[NH2+]C1)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000250891217 487742998 /nfs/dbraw/zinc/74/29/98/487742998.db2.gz XNTOFBBFFAAPSX-XQQFMLRXSA-N 2 1 224.348 1.239 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000300424604 487783680 /nfs/dbraw/zinc/78/36/80/487783680.db2.gz WSHWEQFWTSBIMI-RYUDHWBXSA-N 2 1 243.395 1.206 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000569684504 323036766 /nfs/dbraw/zinc/03/67/66/323036766.db2.gz GWMBBIBUZAYBJV-RDBSUJKOSA-N 2 1 241.423 1.693 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121364282 324012713 /nfs/dbraw/zinc/01/27/13/324012713.db2.gz LJIKXHQFXQLEJM-WISYIIOYSA-N 2 1 212.337 1.236 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121364282 324012714 /nfs/dbraw/zinc/01/27/14/324012714.db2.gz LJIKXHQFXQLEJM-WISYIIOYSA-N 2 1 212.337 1.236 10 0 BDAEMP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309996826 491159681 /nfs/dbraw/zinc/15/96/81/491159681.db2.gz CIGHJFSJRBIPDA-RYUDHWBXSA-N 2 1 228.380 1.467 10 0 BDAEMP COCC[C@H](C)[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757125556 582500409 /nfs/dbraw/zinc/50/04/09/582500409.db2.gz FCECGHDMALYVJJ-HZSPNIEDSA-N 2 1 240.391 1.875 10 0 BDAEMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400390050 533856770 /nfs/dbraw/zinc/85/67/70/533856770.db2.gz ZLBPLWQDNQZXDC-UONOGXRCSA-N 2 1 239.407 1.306 10 0 BDAEMP CCc1nc(N2CC[C@H]([NH3+])C(C)(C)C2)cc(C)[nH+]1 ZINC000261578400 536124746 /nfs/dbraw/zinc/12/47/46/536124746.db2.gz OXCUTZPXSFJQAK-NSHDSACASA-N 2 1 248.374 1.911 10 0 BDAEMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)N(C)C ZINC000400350008 528531565 /nfs/dbraw/zinc/53/15/65/528531565.db2.gz JRFYCFGKHUAAIM-BFHYXJOUSA-N 2 1 241.423 1.550 10 0 BDAEMP CC(C)C[C@@H]([NH3+])CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000251410532 535280678 /nfs/dbraw/zinc/28/06/78/535280678.db2.gz NSRZJTPUUCNZHM-KGLIPLIRSA-N 2 1 239.407 1.530 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccc(OC)c(C)c1 ZINC000725262834 538089415 /nfs/dbraw/zinc/08/94/15/538089415.db2.gz XXXFDZFAQGWONK-GXTWGEPZSA-N 2 1 234.343 1.798 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757128259 582503440 /nfs/dbraw/zinc/50/34/40/582503440.db2.gz JWMQKBGFOKQSFE-MCIONIFRSA-N 2 1 240.391 1.875 10 0 BDAEMP COCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757130873 582504920 /nfs/dbraw/zinc/50/49/20/582504920.db2.gz OKFGBVQXBQCOFL-QWHCGFSZSA-N 2 1 226.364 1.487 10 0 BDAEMP COCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757135081 582513710 /nfs/dbraw/zinc/51/37/10/582513710.db2.gz YHBSAJRLOCZWMT-VXGBXAGGSA-N 2 1 212.337 1.097 10 0 BDAEMP COCC[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757135081 582513712 /nfs/dbraw/zinc/51/37/12/582513712.db2.gz YHBSAJRLOCZWMT-VXGBXAGGSA-N 2 1 212.337 1.097 10 0 BDAEMP CC(C)[C@H]1[NH2+]C2(CC[NH2+]CC2)OCC12CCC2 ZINC000757142732 582522735 /nfs/dbraw/zinc/52/27/35/582522735.db2.gz LTFJQXFNQHKGIR-GFCCVEGCSA-N 2 1 238.375 1.881 10 0 BDAEMP CC(C)[C@@H]1C[NH2+][C@@]2(CCC[N@@H+](C)CC2)OC1 ZINC000757145960 582528862 /nfs/dbraw/zinc/52/88/62/582528862.db2.gz JIHZPMPECKMTLY-OLZOCXBDSA-N 2 1 226.364 1.690 10 0 BDAEMP CC[C@H]1CC[NH2+][C@]2(CCC[N@@H+](C)CC2)O1 ZINC000757150551 582534759 /nfs/dbraw/zinc/53/47/59/582534759.db2.gz ZAFRWIZBASRQJD-NWDGAFQWSA-N 2 1 212.337 1.587 10 0 BDAEMP CCC[C@@H]1CC[NH2+][C@@]2(CCC[N@@H+](C)CC2)O1 ZINC000757153316 582537227 /nfs/dbraw/zinc/53/72/27/582537227.db2.gz UPZNATRRIKLKEM-OLZOCXBDSA-N 2 1 226.364 1.977 10 0 BDAEMP CC(C)[C@H]1[NH2+]C2(CC[NH2+]CC2)OCC1(C)C ZINC000757152679 582537572 /nfs/dbraw/zinc/53/75/72/582537572.db2.gz TZFIIFARCDWCDW-LLVKDONJSA-N 2 1 226.364 1.737 10 0 BDAEMP CC(=O)c1cccc([C@@H]2CC[NH2+][C@@H](C[NH3+])C2)c1 ZINC000757213302 582560612 /nfs/dbraw/zinc/56/06/12/582560612.db2.gz JFSIJMXIVZBXBS-ZIAGYGMSSA-N 2 1 232.327 1.684 10 0 BDAEMP [NH3+]C[C@@H]1C[C@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757218617 582561448 /nfs/dbraw/zinc/56/14/48/582561448.db2.gz VIWITIWZQKFIFR-BDAKNGLRSA-N 2 1 224.329 1.355 10 0 BDAEMP [NH3+]C[C@@H]1C[C@@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757218619 582561837 /nfs/dbraw/zinc/56/18/37/582561837.db2.gz VIWITIWZQKFIFR-IUCAKERBSA-N 2 1 224.329 1.355 10 0 BDAEMP CC(C)(C)n1cc([C@@H]2C[NH2+]C[C@H]([NH3+])C2)cn1 ZINC000757210034 586438434 /nfs/dbraw/zinc/43/84/34/586438434.db2.gz AESNXPVSRNLRSM-GXSJLCMTSA-N 2 1 222.336 1.042 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757212624 586439478 /nfs/dbraw/zinc/43/94/78/586439478.db2.gz JOEYGJKCFQYAMG-NEPJUHHUSA-N 2 1 229.327 1.962 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](c2cccc(C[NH3+])c2)[C@H](N)C1 ZINC000757213601 586439903 /nfs/dbraw/zinc/43/99/03/586439903.db2.gz LCZIXMTWAXAYFZ-BIMULSAOSA-N 2 1 219.332 1.143 10 0 BDAEMP [NH3+][C@@H]1CC[NH2+][C@@H](c2ccc(C=O)s2)C1 ZINC000757215306 586440754 /nfs/dbraw/zinc/44/07/54/586440754.db2.gz NLCKDAXOUJFWFQ-VXNVDRBHSA-N 2 1 210.302 1.312 10 0 BDAEMP [NH3+]Cc1cc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])ccc1C1CC1 ZINC000757232741 586442987 /nfs/dbraw/zinc/44/29/87/586442987.db2.gz JIGQPUZJHSRLMD-GJZGRUSLSA-N 3 1 245.370 1.427 10 0 BDAEMP [NH3+]Cc1cc([C@@H]2CCNC[C@@H]2[NH3+])ccc1C1CC1 ZINC000757232741 586442988 /nfs/dbraw/zinc/44/29/88/586442988.db2.gz JIGQPUZJHSRLMD-GJZGRUSLSA-N 2 1 245.370 1.427 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCS1 ZINC000123467827 589720478 /nfs/dbraw/zinc/72/04/78/589720478.db2.gz NPXLNKUGTGQOIX-NSHDSACASA-N 2 1 216.394 1.943 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)CCC[NH2+]C1CC1 ZINC000092628050 634193779 /nfs/dbraw/zinc/19/37/79/634193779.db2.gz PLHHUIXZFSFJKO-AWEZNQCLSA-N 2 1 239.407 1.545 10 0 BDAEMP OCc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000094440225 635347941 /nfs/dbraw/zinc/34/79/41/635347941.db2.gz SFYKAQVUWIQATA-CQSZACIVSA-N 2 1 247.342 1.248 10 0 BDAEMP [NH3+]C1CC[NH+](CCNc2ccc(F)cn2)CC1 ZINC000321583837 636654855 /nfs/dbraw/zinc/65/48/55/636654855.db2.gz QSINPWUVZULQQP-UHFFFAOYSA-N 2 1 238.310 1.056 10 0 BDAEMP c1ccc([C@H]2C[C@@H]2[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000044660143 640446024 /nfs/dbraw/zinc/44/60/24/640446024.db2.gz MIUMWYYHESCTFO-KGLIPLIRSA-N 2 1 216.328 1.838 10 0 BDAEMP c1ccc([C@H]2C[C@@H]2[N@H+]2CCC[NH2+]CC2)cc1 ZINC000044660143 640446027 /nfs/dbraw/zinc/44/60/27/640446027.db2.gz MIUMWYYHESCTFO-KGLIPLIRSA-N 2 1 216.328 1.838 10 0 BDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCCCCC[NH3+] ZINC000251672060 644816513 /nfs/dbraw/zinc/81/65/13/644816513.db2.gz HKRCMNHIVNFQBK-KBPBESRZSA-N 2 1 239.407 1.674 10 0 BDAEMP C[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)[C@H]1C[NH3+] ZINC000252182333 644840175 /nfs/dbraw/zinc/84/01/75/644840175.db2.gz QFXCZVOIJBCJQU-WOPDTQHZSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)[C@H]1C[NH3+] ZINC000252182333 644840178 /nfs/dbraw/zinc/84/01/78/644840178.db2.gz QFXCZVOIJBCJQU-WOPDTQHZSA-N 2 1 212.337 1.225 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3ccns3)C[C@H]12 ZINC000719833998 712823801 /nfs/dbraw/zinc/82/38/01/712823801.db2.gz UPPTZLDTZFQZHU-ZMLRMANQSA-N 2 1 237.372 1.355 10 0 BDAEMP COC[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000721915327 710690781 /nfs/dbraw/zinc/69/07/81/710690781.db2.gz UHLONWPVEDHUGF-XDQVBPFNSA-N 2 1 240.391 1.574 10 0 BDAEMP CCc1nc(N(C)C[C@H](C)[NH3+])cc(C)[nH+]1 ZINC000379780018 711810026 /nfs/dbraw/zinc/81/00/26/711810026.db2.gz KNGNGDYZNJGHBF-QMMMGPOBSA-N 2 1 208.309 1.131 10 0 BDAEMP [NH3+]C1CC(CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000705224797 712124913 /nfs/dbraw/zinc/12/49/13/712124913.db2.gz GTQBFJLLOGDCMW-UHFFFAOYSA-N 2 1 217.276 1.107 10 0 BDAEMP CC[C@](C)(O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705669958 712135192 /nfs/dbraw/zinc/13/51/92/712135192.db2.gz MXFNYIXEAQFTPJ-MJBXVCDLSA-N 2 1 240.391 1.421 10 0 BDAEMP CC[C@](C)(O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705669958 712135193 /nfs/dbraw/zinc/13/51/93/712135193.db2.gz MXFNYIXEAQFTPJ-MJBXVCDLSA-N 2 1 240.391 1.421 10 0 BDAEMP CC[C@](C)(O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705669958 712135194 /nfs/dbraw/zinc/13/51/94/712135194.db2.gz MXFNYIXEAQFTPJ-MJBXVCDLSA-N 2 1 240.391 1.421 10 0 BDAEMP CC[C@](C)(O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705669958 712135195 /nfs/dbraw/zinc/13/51/95/712135195.db2.gz MXFNYIXEAQFTPJ-MJBXVCDLSA-N 2 1 240.391 1.421 10 0 BDAEMP C[NH+]1C[C@@]2(C)C[NH+]([C@@H]3CCC[C@H]3O)C[C@]2(C)C1 ZINC000705672642 712135316 /nfs/dbraw/zinc/13/53/16/712135316.db2.gz UKXZTOHFZAZIEP-MQYQWHSLSA-N 2 1 238.375 1.173 10 0 BDAEMP COC1CC(C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000705894185 712139083 /nfs/dbraw/zinc/13/90/83/712139083.db2.gz PKKBAGHFYNXMFS-UHFFFAOYSA-N 2 1 212.337 1.095 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000708859010 712201058 /nfs/dbraw/zinc/20/10/58/712201058.db2.gz SVTAQJMCUAKMBO-MFKMUULPSA-N 2 1 244.342 1.590 10 0 BDAEMP COCC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000713953731 712474526 /nfs/dbraw/zinc/47/45/26/712474526.db2.gz RWACTOFEIOCEDQ-GNRIBBGQSA-N 2 1 238.375 1.628 10 0 BDAEMP CCC1([NH3+])CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000714752654 712497429 /nfs/dbraw/zinc/49/74/29/712497429.db2.gz KDMGNKWDYJLXTA-UHFFFAOYSA-N 2 1 236.363 1.432 10 0 BDAEMP Cc1cc(NC[C@H]2C[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000715131530 712513737 /nfs/dbraw/zinc/51/37/37/712513737.db2.gz GLODSSYLLBXEHR-MGCOHNPYSA-N 2 1 206.293 1.243 10 0 BDAEMP [NH3+][C@H]1C[C@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000715132662 712514092 /nfs/dbraw/zinc/51/40/92/712514092.db2.gz BNUWJBGLTVETCL-KYZUINATSA-N 2 1 216.288 1.712 10 0 BDAEMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000250820530 712834841 /nfs/dbraw/zinc/83/48/41/712834841.db2.gz ZKNMXJOIOLOPBS-UONOGXRCSA-N 2 1 239.407 1.260 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000685965716 538912304 /nfs/dbraw/zinc/91/23/04/538912304.db2.gz PVSUGRKRGOEANZ-QWRGUYRKSA-N 2 1 210.708 1.744 10 0 BDAEMP CCC(CC)(C[NH3+])[N@H+]1CCCOCC1 ZINC000061916629 168323222 /nfs/dbraw/zinc/32/32/22/168323222.db2.gz SVKPHSWWKKVYHF-UHFFFAOYSA-N 2 1 200.326 1.226 10 0 BDAEMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc(C)c1O ZINC000050245165 178003232 /nfs/dbraw/zinc/00/32/32/178003232.db2.gz PNZUWZZVIDITOB-GFCCVEGCSA-N 2 1 234.343 1.790 10 0 BDAEMP Cc1cc(Cn2cc[nH+]c2C)oc1C[NH3+] ZINC000052576126 178074090 /nfs/dbraw/zinc/07/40/90/178074090.db2.gz ALHTXUMGJXLMRK-UHFFFAOYSA-N 2 1 205.261 1.600 10 0 BDAEMP C[C@H]([NH3+])CC[NH2+]Cc1ccc(F)cc1F ZINC000258722405 349514246 /nfs/dbraw/zinc/51/42/46/349514246.db2.gz JABQDEANECGDMW-QMMMGPOBSA-N 2 1 214.259 1.792 10 0 BDAEMP C[C@H]([NH2+][C@H]1CSC1(C)C)[C@H]1CCC[NH2+]1 ZINC000306919169 398203207 /nfs/dbraw/zinc/20/32/07/398203207.db2.gz AZQFZNSENGEMIW-AEJSXWLSSA-N 2 1 214.378 1.611 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC000381043862 398252254 /nfs/dbraw/zinc/25/22/54/398252254.db2.gz CUGJXNQVHOKRKW-KXNHARMFSA-N 2 1 219.332 1.832 10 0 BDAEMP CCC(CC)[N@@H+](CCO)C[C@H]1CCC[C@@H]1[NH2+]C ZINC000053877024 168374308 /nfs/dbraw/zinc/37/43/08/168374308.db2.gz JGRMSXBVLCDJCO-OCCSQVGLSA-N 2 1 242.407 1.857 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378756793 346824931 /nfs/dbraw/zinc/82/49/31/346824931.db2.gz YMSOLVLADSQKEY-YVECIDJPSA-N 2 1 224.348 1.380 10 0 BDAEMP CCC(CC)NC(=O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557075 168377150 /nfs/dbraw/zinc/37/71/50/168377150.db2.gz LRQATFLVFGQDOL-NSHDSACASA-N 2 1 243.395 1.221 10 0 BDAEMP [NH3+][C@H]1CCC[C@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000335397802 398285910 /nfs/dbraw/zinc/28/59/10/398285910.db2.gz DGZKZRHSRCMMPL-UWVGGRQHSA-N 2 1 230.315 1.667 10 0 BDAEMP CC[C@H](COC)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309041044 529392413 /nfs/dbraw/zinc/39/24/13/529392413.db2.gz JYJBJWVKSJRIIF-IJLUTSLNSA-N 2 1 214.353 1.328 10 0 BDAEMP CC1(C)CC([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000381642376 539006042 /nfs/dbraw/zinc/00/60/42/539006042.db2.gz ASDJFNMVQDLYID-UHFFFAOYSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000381263842 538997257 /nfs/dbraw/zinc/99/72/57/538997257.db2.gz SUKACZFRSNHCJZ-GRYCIOLGSA-N 2 1 219.332 1.976 10 0 BDAEMP CC[N@H+]1CCC[C@@]2(CC1)[NH2+][C@@H](C)CS2 ZINC000226585181 342842453 /nfs/dbraw/zinc/84/24/53/342842453.db2.gz TTYJMZSNWLOZHQ-WDEREUQCSA-N 2 1 214.378 1.913 10 0 BDAEMP [NH3+][C@H]1CCC[C@H]1[N@H+]1CCCSCC1 ZINC000042444476 362000244 /nfs/dbraw/zinc/00/02/44/362000244.db2.gz ZNISZUCQEKNHOK-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]CC[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000215160864 343077541 /nfs/dbraw/zinc/07/75/41/343077541.db2.gz YENSJAMMGAGXML-CQSZACIVSA-N 2 1 234.343 1.362 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093214406 343151072 /nfs/dbraw/zinc/15/10/72/343151072.db2.gz PSQJLECAXLHYHP-MELADBBJSA-N 2 1 241.423 1.822 10 0 BDAEMP COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000250361892 259362923 /nfs/dbraw/zinc/36/29/23/259362923.db2.gz FDAHYLITFOVURS-QWHCGFSZSA-N 2 1 248.326 1.009 10 0 BDAEMP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000250361892 259362926 /nfs/dbraw/zinc/36/29/26/259362926.db2.gz FDAHYLITFOVURS-QWHCGFSZSA-N 2 1 248.326 1.009 10 0 BDAEMP COC(C)(C)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000159220933 349829016 /nfs/dbraw/zinc/82/90/16/349829016.db2.gz SEQKNTNBLZLMAD-ZJUUUORDSA-N 2 1 200.326 1.223 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+][C@@H](CN(C)C)C(C)C ZINC000049330459 187269842 /nfs/dbraw/zinc/26/98/42/187269842.db2.gz HOWWXTUCOQXVDN-ZDUSSCGKSA-N 2 1 238.379 1.367 10 0 BDAEMP CN([C@@H](C[NH3+])C1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053206121 187271203 /nfs/dbraw/zinc/27/12/03/187271203.db2.gz DABJXFDEKCZSLM-KGLIPLIRSA-N 2 1 239.407 1.530 10 0 BDAEMP CC(C)C[C@@H](C)[N@@H+](C)CCNCCC[NH+](C)C ZINC000053443008 187271972 /nfs/dbraw/zinc/27/19/72/187271972.db2.gz RARGVLDVBPZVCS-CQSZACIVSA-N 2 1 243.439 1.894 10 0 BDAEMP C1CC[C@@H]([N@@H+]2CCCSCC2)C[NH2+]C1 ZINC000054135511 187272153 /nfs/dbraw/zinc/27/21/53/187272153.db2.gz KITHDMLUDSSHGJ-LLVKDONJSA-N 2 1 214.378 1.567 10 0 BDAEMP C1CC[C@@H]([N@H+]2CCCSCC2)C[NH2+]C1 ZINC000054135511 187272155 /nfs/dbraw/zinc/27/21/55/187272155.db2.gz KITHDMLUDSSHGJ-LLVKDONJSA-N 2 1 214.378 1.567 10 0 BDAEMP CN(C)c1cc[nH+]cc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000054240947 187272591 /nfs/dbraw/zinc/27/25/91/187272591.db2.gz RCSZHTLNPOFPTQ-LBPRGKRZSA-N 2 1 248.374 1.901 10 0 BDAEMP NCC[N@@H+](C1CC1)C1CCSCC1 ZINC000107143568 343785804 /nfs/dbraw/zinc/78/58/04/343785804.db2.gz OPJRYNLVJFJPOG-UHFFFAOYSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]CC[N@H+](C1CC1)C1CCSCC1 ZINC000107143568 343785806 /nfs/dbraw/zinc/78/58/06/343785806.db2.gz OPJRYNLVJFJPOG-UHFFFAOYSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]CC[N@@H+](C1CC1)C1CCSCC1 ZINC000107143568 343785808 /nfs/dbraw/zinc/78/58/08/343785808.db2.gz OPJRYNLVJFJPOG-UHFFFAOYSA-N 2 1 200.351 1.305 10 0 BDAEMP Cc1cc(N2C[C@H]([NH3+])C[C@@H]2C)nc(C)[nH+]1 ZINC000385225919 344378328 /nfs/dbraw/zinc/37/83/28/344378328.db2.gz HZUQDDBODZWPOQ-WCBMZHEXSA-N 2 1 206.293 1.019 10 0 BDAEMP Cc1cc(N2C[C@H]([NH3+])C[C@H]2C)nc(C)[nH+]1 ZINC000385225914 344378369 /nfs/dbraw/zinc/37/83/69/344378369.db2.gz HZUQDDBODZWPOQ-PSASIEDQSA-N 2 1 206.293 1.019 10 0 BDAEMP CC1(C)CSC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000227554061 344505785 /nfs/dbraw/zinc/50/57/85/344505785.db2.gz BKTVDYPFNTXTPI-ZJUUUORDSA-N 2 1 214.378 1.551 10 0 BDAEMP CC1(C)CSC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000227554061 344505786 /nfs/dbraw/zinc/50/57/86/344505786.db2.gz BKTVDYPFNTXTPI-ZJUUUORDSA-N 2 1 214.378 1.551 10 0 BDAEMP C([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000042825242 187292545 /nfs/dbraw/zinc/29/25/45/187292545.db2.gz ZRSDSYOZFHREAF-RYUDHWBXSA-N 2 1 212.337 1.287 10 0 BDAEMP C([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1CCCCO1 ZINC000042825248 187292576 /nfs/dbraw/zinc/29/25/76/187292576.db2.gz ZRSDSYOZFHREAF-NWDGAFQWSA-N 2 1 212.337 1.287 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000235301353 344879354 /nfs/dbraw/zinc/87/93/54/344879354.db2.gz ANSQGVABADWSBS-AEJSXWLSSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@H+]1CCC[C@@H]1C[NH3+] ZINC000235301353 344879357 /nfs/dbraw/zinc/87/93/57/344879357.db2.gz ANSQGVABADWSBS-AEJSXWLSSA-N 2 1 200.351 1.304 10 0 BDAEMP CC(C)(C[NH3+])C[NH+]1Cc2ccccc2C1 ZINC000051249400 187298549 /nfs/dbraw/zinc/29/85/49/187298549.db2.gz SKAWTLSZEVSTIW-UHFFFAOYSA-N 2 1 204.317 1.987 10 0 BDAEMP C[C@H](c1ccco1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248081809 345035707 /nfs/dbraw/zinc/03/57/07/345035707.db2.gz QETGLPQNBRJOOA-MNOVXSKESA-N 2 1 208.305 1.882 10 0 BDAEMP C[C@H](c1ccco1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248081809 345035708 /nfs/dbraw/zinc/03/57/08/345035708.db2.gz QETGLPQNBRJOOA-MNOVXSKESA-N 2 1 208.305 1.882 10 0 BDAEMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000634999595 345200485 /nfs/dbraw/zinc/20/04/85/345200485.db2.gz WUOATAXGOYUMJZ-KOLCDFICSA-N 2 1 235.331 1.122 10 0 BDAEMP C[C@@H](c1ccc[nH]1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000095068280 346013153 /nfs/dbraw/zinc/01/31/53/346013153.db2.gz CAIDLIRCOKEFOF-WDEREUQCSA-N 2 1 207.321 1.746 10 0 BDAEMP CC[N@@H+](CC(C)C)C[C@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378612 537968108 /nfs/dbraw/zinc/96/81/08/537968108.db2.gz JFHFPWIHLQGPPO-CHWSQXEVSA-N 2 1 227.396 1.149 10 0 BDAEMP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325451 347207135 /nfs/dbraw/zinc/20/71/35/347207135.db2.gz CLKPHZVEAHUHLY-SDDRHHMPSA-N 2 1 242.363 1.245 10 0 BDAEMP CCC[C@H](C(=O)OCC)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325451 347207136 /nfs/dbraw/zinc/20/71/36/347207136.db2.gz CLKPHZVEAHUHLY-SDDRHHMPSA-N 2 1 242.363 1.245 10 0 BDAEMP Cc1ccc(NC(=O)C[NH+](C)C)c(C)c1C[NH3+] ZINC000616570592 348069554 /nfs/dbraw/zinc/06/95/54/348069554.db2.gz BQCCHMFERQHACS-UHFFFAOYSA-N 2 1 235.331 1.262 10 0 BDAEMP CS[C@@H]1CCC[N@H+](C2CC([NH3+])C2)CC1 ZINC000300840379 362909233 /nfs/dbraw/zinc/90/92/33/362909233.db2.gz MBNKVWWNDDWSQQ-VQXHTEKXSA-N 2 1 214.378 1.694 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 ZINC000222112597 350091823 /nfs/dbraw/zinc/09/18/23/350091823.db2.gz LOMGLRAUQAZDOU-LMLFDSFASA-N 2 1 214.378 1.692 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000336715907 180239849 /nfs/dbraw/zinc/23/98/49/180239849.db2.gz VDPMUGCXLNFIBY-CYBMUJFWSA-N 2 1 237.347 1.286 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CCO)C1 ZINC000336715907 180239850 /nfs/dbraw/zinc/23/98/50/180239850.db2.gz VDPMUGCXLNFIBY-CYBMUJFWSA-N 2 1 237.347 1.286 10 0 BDAEMP Cc1nccn1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049331258 180248308 /nfs/dbraw/zinc/24/83/08/180248308.db2.gz IDEICVOBUOGUTI-PBWFPOADSA-N 2 1 248.374 1.406 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+][C@H](CN(C)C)C(C)C ZINC000049330460 180261412 /nfs/dbraw/zinc/26/14/12/180261412.db2.gz HOWWXTUCOQXVDN-CYBMUJFWSA-N 2 1 238.379 1.367 10 0 BDAEMP Cc1[nH+]ccn1[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341293 180272285 /nfs/dbraw/zinc/27/22/85/180272285.db2.gz ZSUKPMAXDXATKC-SKDRFNHKSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]cn(C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)c1C ZINC000052593718 180288101 /nfs/dbraw/zinc/28/81/01/180288101.db2.gz WNRPJDANHOHDQU-ZIAGYGMSSA-N 2 1 249.358 1.800 10 0 BDAEMP CCC[C@@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000309362139 323345830 /nfs/dbraw/zinc/34/58/30/323345830.db2.gz APDKBFLFJANYEC-JGVFFNPUSA-N 2 1 212.297 1.020 10 0 BDAEMP O[C@H]1CC[N@H+](C2CC[NH2+]CC2)C[C@@H]1CC1CC1 ZINC000409435752 350479035 /nfs/dbraw/zinc/47/90/35/350479035.db2.gz WJVHUMGURGNWTL-JSGCOSHPSA-N 2 1 238.375 1.221 10 0 BDAEMP NCC[N@H+]1CCC[C@H](c2ccc(CO)cc2)CC1 ZINC000616600272 350779429 /nfs/dbraw/zinc/77/94/29/350779429.db2.gz GPIRNSZDFFBVEB-AWEZNQCLSA-N 2 1 248.370 1.707 10 0 BDAEMP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc(CO)cc2)CC1 ZINC000616600272 350779431 /nfs/dbraw/zinc/77/94/31/350779431.db2.gz GPIRNSZDFFBVEB-AWEZNQCLSA-N 2 1 248.370 1.707 10 0 BDAEMP [NH3+]CC[N@H+]1CCC[C@H](c2ccc(CO)cc2)CC1 ZINC000616600272 350779434 /nfs/dbraw/zinc/77/94/34/350779434.db2.gz GPIRNSZDFFBVEB-AWEZNQCLSA-N 2 1 248.370 1.707 10 0 BDAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CCSC[C@H]1C ZINC000252858748 350916428 /nfs/dbraw/zinc/91/64/28/350916428.db2.gz MCGVFZNMQLJIIE-AEJSXWLSSA-N 2 1 202.367 1.407 10 0 BDAEMP C[N@@H+](C1CC([NH3+])C1)[C@H]1CCCSC1 ZINC000306744071 350932370 /nfs/dbraw/zinc/93/23/70/350932370.db2.gz HZZFRSVYWBVKKX-KYHHOPLUSA-N 2 1 200.351 1.304 10 0 BDAEMP C[N@@H+]1CCC[C@H](NC(=[NH2+])NCc2ccccc2)C1 ZINC000306779734 351019988 /nfs/dbraw/zinc/01/99/88/351019988.db2.gz YIWHTZQUPIUNBD-ZDUSSCGKSA-N 2 1 246.358 1.395 10 0 BDAEMP C[N@H+]1CCC[C@H](NC(=[NH2+])NCc2ccccc2)C1 ZINC000306779734 351019990 /nfs/dbraw/zinc/01/99/90/351019990.db2.gz YIWHTZQUPIUNBD-ZDUSSCGKSA-N 2 1 246.358 1.395 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H]2C)CS1 ZINC000307223027 351649333 /nfs/dbraw/zinc/64/93/33/351649333.db2.gz JUYJBQGKULWCFH-KATARQTJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H]2C)CS1 ZINC000307223027 351649335 /nfs/dbraw/zinc/64/93/35/351649335.db2.gz JUYJBQGKULWCFH-KATARQTJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]cc1Br ZINC000307231413 351686444 /nfs/dbraw/zinc/68/64/44/351686444.db2.gz BKDWMZUYOMAIPZ-BQBZGAKWSA-N 2 1 244.136 1.992 10 0 BDAEMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C2CSC2)C1 ZINC000307466951 352616091 /nfs/dbraw/zinc/61/60/91/352616091.db2.gz KGGZYYHLRBLVDA-BDAKNGLRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1[C@@H](N2CC([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000307395349 352569717 /nfs/dbraw/zinc/56/97/17/352569717.db2.gz NOZBBXBXWBRWNJ-DOMZBBRYSA-N 2 1 245.370 1.292 10 0 BDAEMP CC(C)C[C@](C)(C[NH3+])[N@@H+]1CCCOCC1 ZINC000061916644 188013887 /nfs/dbraw/zinc/01/38/87/188013887.db2.gz NNRDMRWVRWADFZ-GFCCVEGCSA-N 2 1 214.353 1.472 10 0 BDAEMP CC(C)C[C@](C)(C[NH3+])[N@H+]1CCCOCC1 ZINC000061916644 188013888 /nfs/dbraw/zinc/01/38/88/188013888.db2.gz NNRDMRWVRWADFZ-GFCCVEGCSA-N 2 1 214.353 1.472 10 0 BDAEMP C[C@H]1C[C@@H](C[NH3+])CN1c1[nH+]cnc2[nH]ccc21 ZINC000420223219 192178977 /nfs/dbraw/zinc/17/89/77/192178977.db2.gz ZSIOYMCZQGQCOI-IUCAKERBSA-N 2 1 231.303 1.131 10 0 BDAEMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C/C=C\Cl ZINC000308110550 353889179 /nfs/dbraw/zinc/88/91/79/353889179.db2.gz VWBJVPDQUNRBJV-OSCQXZJKSA-N 2 1 202.729 1.669 10 0 BDAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C/C=C\Cl ZINC000308110550 353889183 /nfs/dbraw/zinc/88/91/83/353889183.db2.gz VWBJVPDQUNRBJV-OSCQXZJKSA-N 2 1 202.729 1.669 10 0 BDAEMP COC(C)(C)[C@H](C)[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000301039091 363358814 /nfs/dbraw/zinc/35/88/14/363358814.db2.gz YLUAWSJQJYKHQJ-LPEHRKFASA-N 2 1 200.326 1.079 10 0 BDAEMP CCc1cnc(C[NH2+]CC[C@@H](C)[NH3+])s1 ZINC000234147384 363415359 /nfs/dbraw/zinc/41/53/59/363415359.db2.gz LAPIHGVXYHVRQW-MRVPVSSYSA-N 2 1 213.350 1.532 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420296788 192205021 /nfs/dbraw/zinc/20/50/21/192205021.db2.gz DWUOIMBEPWCZML-TUAOUCFPSA-N 2 1 212.337 1.095 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000420269959 192195247 /nfs/dbraw/zinc/19/52/47/192195247.db2.gz JDMMGBYLEPVWLH-RKDXNWHRSA-N 2 1 231.303 1.497 10 0 BDAEMP C[C@@H](CCC[NH3+])Nc1[nH+]cnc2[nH]ccc21 ZINC000420275754 192198124 /nfs/dbraw/zinc/19/81/24/192198124.db2.gz ZVFHGILXJJBNLN-QMMMGPOBSA-N 2 1 219.292 1.497 10 0 BDAEMP C[C@H](CCC[NH3+])Nc1[nH+]cnc2[nH]ccc21 ZINC000420275753 192198823 /nfs/dbraw/zinc/19/88/23/192198823.db2.gz ZVFHGILXJJBNLN-MRVPVSSYSA-N 2 1 219.292 1.497 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000420357593 192218680 /nfs/dbraw/zinc/21/86/80/192218680.db2.gz DNJGCKDSVOOIDV-UTUOFQBUSA-N 2 1 212.337 1.225 10 0 BDAEMP CC[NH+]1CCN(C2CC3(C2)CC[NH2+]CC3)CC1 ZINC000675069427 538498143 /nfs/dbraw/zinc/49/81/43/538498143.db2.gz HBUSHENFRVVXSX-UHFFFAOYSA-N 2 1 237.391 1.156 10 0 BDAEMP [NH3+][C@@H]1C=C(C[C@@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675079000 538517818 /nfs/dbraw/zinc/51/78/18/538517818.db2.gz URNNAOKQCKSRIQ-VHSXEESVSA-N 2 1 216.275 1.669 10 0 BDAEMP [NH3+][C@H]1C=C(CCC2CCOCC2)C[NH2+]C1 ZINC000675079484 538518952 /nfs/dbraw/zinc/51/89/52/538518952.db2.gz ZLFLRBDMPNRSQL-LBPRGKRZSA-N 2 1 210.321 1.050 10 0 BDAEMP CC[N@@H+](CCOC)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951382 538894633 /nfs/dbraw/zinc/89/46/33/538894633.db2.gz RUUJPZCBIHAEGL-GDNZZTSVSA-N 2 1 214.353 1.199 10 0 BDAEMP CC[C@H]1C[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951176 538894700 /nfs/dbraw/zinc/89/47/00/538894700.db2.gz OUYJTOLOOPBFPT-QNWHQSFQSA-N 2 1 226.364 1.341 10 0 BDAEMP CC[C@H]1C[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951176 538894702 /nfs/dbraw/zinc/89/47/02/538894702.db2.gz OUYJTOLOOPBFPT-QNWHQSFQSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCSC[C@H]1C ZINC000685951749 538894959 /nfs/dbraw/zinc/89/49/59/538894959.db2.gz XHXZOFMKODQYDJ-KXNHARMFSA-N 2 1 228.405 1.668 10 0 BDAEMP COC[C@H]1CC[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951402 538895216 /nfs/dbraw/zinc/89/52/16/538895216.db2.gz SQWHUIKGYQMCLR-QNWHQSFQSA-N 2 1 226.364 1.199 10 0 BDAEMP [NH3+][C@@](O)(CC[NH2+]C1CC1)Cc1ccccc1 ZINC000584596856 358254521 /nfs/dbraw/zinc/25/45/21/358254521.db2.gz NZTBHLXSNXJRNU-CYBMUJFWSA-N 2 1 220.316 1.019 10 0 BDAEMP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000306312516 359593278 /nfs/dbraw/zinc/59/32/78/359593278.db2.gz KUOLXSMOGGCWLM-RKDXNWHRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000306312516 359593281 /nfs/dbraw/zinc/59/32/81/359593281.db2.gz KUOLXSMOGGCWLM-RKDXNWHRSA-N 2 1 202.367 1.550 10 0 BDAEMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cc[nH]c2)C1 ZINC000309049454 491143363 /nfs/dbraw/zinc/14/33/63/491143363.db2.gz QAHXJOFZPZOGKM-ZYHUDNBSSA-N 2 1 207.321 1.445 10 0 BDAEMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cc[nH]c2)C1 ZINC000309049454 491143364 /nfs/dbraw/zinc/14/33/64/491143364.db2.gz QAHXJOFZPZOGKM-ZYHUDNBSSA-N 2 1 207.321 1.445 10 0 BDAEMP CC1(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000309120498 491145231 /nfs/dbraw/zinc/14/52/31/491145231.db2.gz NOBICFKPFITIBI-SNVBAGLBSA-N 2 1 205.305 1.588 10 0 BDAEMP C[C@H](C[NH3+])[C@H](C)[N@H+]1CCO[C@H](C)[C@H]1C ZINC000306559153 360433950 /nfs/dbraw/zinc/43/39/50/360433950.db2.gz QGMQIIBOYBLJFM-LMLFDSFASA-N 2 1 200.326 1.079 10 0 BDAEMP CC[C@](C)(C[NH3+])[N@H+]1CCCOC[C@@H]1C ZINC000306592494 360511506 /nfs/dbraw/zinc/51/15/06/360511506.db2.gz WLXDSLSAWDIWRT-WDEREUQCSA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cncs1 ZINC000306616720 361171353 /nfs/dbraw/zinc/17/13/53/361171353.db2.gz PEKJRHLNKRTIQB-WPRPVWTQSA-N 2 1 211.334 1.231 10 0 BDAEMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cncs1 ZINC000306616717 361171617 /nfs/dbraw/zinc/17/16/17/361171617.db2.gz PEKJRHLNKRTIQB-PSASIEDQSA-N 2 1 211.334 1.231 10 0 BDAEMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629653027 361551617 /nfs/dbraw/zinc/55/16/17/361551617.db2.gz FQNOOLWJCDRZHV-XQQFMLRXSA-N 2 1 240.416 1.956 10 0 BDAEMP CCCCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630355355 364077384 /nfs/dbraw/zinc/07/73/84/364077384.db2.gz GWZTWIUZAFNFIZ-VXGBXAGGSA-N 2 1 214.353 1.615 10 0 BDAEMP CO[C@H]1C[N@@H+](CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630354789 364077984 /nfs/dbraw/zinc/07/79/84/364077984.db2.gz AZIWGHNNKQPZAK-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630565860 364263782 /nfs/dbraw/zinc/26/37/82/364263782.db2.gz AMAYVGVZRDKJBU-GZMMTYOYSA-N 2 1 220.320 1.124 10 0 BDAEMP Cc1cccc(N2C[C@H](C)[C@H](C[NH3+])C2)[nH+]1 ZINC000630568693 364265017 /nfs/dbraw/zinc/26/50/17/364265017.db2.gz IQEYYYMRSRHPBQ-GXSJLCMTSA-N 2 1 205.305 1.421 10 0 BDAEMP C[C@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1C[NH3+] ZINC000630572298 364268379 /nfs/dbraw/zinc/26/83/79/364268379.db2.gz QXXGZNOFFAWRHK-DTWKUNHWSA-N 2 1 225.723 1.766 10 0 BDAEMP [NH3+]CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037712740 364545014 /nfs/dbraw/zinc/54/50/14/364545014.db2.gz XZFZZKSQVNTABY-CQSZACIVSA-N 2 1 233.359 1.199 10 0 BDAEMP COCC[N@H+]1CCN(c2cc[nH+]cc2C)C[C@H]1C ZINC000191980651 365001173 /nfs/dbraw/zinc/00/11/73/365001173.db2.gz JTJPBWYCIRLBSA-CYBMUJFWSA-N 2 1 249.358 1.547 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C2CC2)c1 ZINC000685965917 541498157 /nfs/dbraw/zinc/49/81/57/541498157.db2.gz YTIANQNGSSCAPK-KGLIPLIRSA-N 2 1 216.328 1.968 10 0 BDAEMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000380758788 367299689 /nfs/dbraw/zinc/29/96/89/367299689.db2.gz VRFWMHBJEQRHDB-QWHCGFSZSA-N 2 1 227.396 1.447 10 0 BDAEMP C[C@H]([NH3+])CC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000253068888 368443678 /nfs/dbraw/zinc/44/36/78/368443678.db2.gz LEAFAGPQWYQDML-LPEHRKFASA-N 2 1 202.367 1.550 10 0 BDAEMP CC[C@@H]1C[NH2+]CC[C@]12[NH2+]C[C@H](C)S2 ZINC000253349654 368935984 /nfs/dbraw/zinc/93/59/84/368935984.db2.gz ZOEOERQUHSEHKU-IVZWLZJFSA-N 2 1 200.351 1.427 10 0 BDAEMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631836489 369078949 /nfs/dbraw/zinc/07/89/49/369078949.db2.gz ACHFLRCQCBYAOG-PWSUYJOCSA-N 2 1 235.331 1.117 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631836489 369078953 /nfs/dbraw/zinc/07/89/53/369078953.db2.gz ACHFLRCQCBYAOG-PWSUYJOCSA-N 2 1 235.331 1.117 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccn1 ZINC000621775230 370523038 /nfs/dbraw/zinc/52/30/38/370523038.db2.gz IZJQEYCUWBYNPA-MJBXVCDLSA-N 2 1 231.343 1.559 10 0 BDAEMP CC[C@@H](O)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328654128 371136123 /nfs/dbraw/zinc/13/61/23/371136123.db2.gz XFYROQFEOWUEDF-NWDGAFQWSA-N 2 1 237.347 1.148 10 0 BDAEMP CC[C@@H](O)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328654128 371136124 /nfs/dbraw/zinc/13/61/24/371136124.db2.gz XFYROQFEOWUEDF-NWDGAFQWSA-N 2 1 237.347 1.148 10 0 BDAEMP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C(C)C)OCCO2 ZINC000216448341 371755501 /nfs/dbraw/zinc/75/55/01/371755501.db2.gz VKXCWSQVFJYYCR-NEPJUHHUSA-N 2 1 242.363 1.210 10 0 BDAEMP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C(C)C)OCCO2 ZINC000216448341 371755504 /nfs/dbraw/zinc/75/55/04/371755504.db2.gz VKXCWSQVFJYYCR-NEPJUHHUSA-N 2 1 242.363 1.210 10 0 BDAEMP C[C@@H](C[N@H+]1CCS[C@@H](C)C1)C1C[NH2+]C1 ZINC000227165742 371793427 /nfs/dbraw/zinc/79/34/27/371793427.db2.gz LMVBMUFPZSXZRZ-UWVGGRQHSA-N 2 1 214.378 1.279 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH3+])C2)CS1 ZINC000227511526 371878795 /nfs/dbraw/zinc/87/87/95/371878795.db2.gz BFMCSXHBTZBRTH-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([NH3+])C2)CS1 ZINC000227511526 371878803 /nfs/dbraw/zinc/87/88/03/371878803.db2.gz BFMCSXHBTZBRTH-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[N@@H+]1CCc2c(C[NH3+])c(Cl)sc2C1 ZINC000132792635 371923692 /nfs/dbraw/zinc/92/36/92/371923692.db2.gz UBFXQMNZDJUECP-UHFFFAOYSA-N 2 1 216.737 1.848 10 0 BDAEMP C[N@H+]1CCc2c(C[NH3+])c(Cl)sc2C1 ZINC000132792635 371923693 /nfs/dbraw/zinc/92/36/93/371923693.db2.gz UBFXQMNZDJUECP-UHFFFAOYSA-N 2 1 216.737 1.848 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(N)=[NH2+] ZINC000306876901 372075180 /nfs/dbraw/zinc/07/51/80/372075180.db2.gz CBMGVEHJPYJJIR-AAEUAGOBSA-N 2 1 246.358 1.380 10 0 BDAEMP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631842284 372640522 /nfs/dbraw/zinc/64/05/22/372640522.db2.gz YAFHNXXDHQJALK-BDAKNGLRSA-N 2 1 240.269 1.092 10 0 BDAEMP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631842284 372640527 /nfs/dbraw/zinc/64/05/27/372640527.db2.gz YAFHNXXDHQJALK-BDAKNGLRSA-N 2 1 240.269 1.092 10 0 BDAEMP OC[C@@H]1CC[NH2+]CC[N@@H+]1CC1CCCCC1 ZINC000067172121 183125188 /nfs/dbraw/zinc/12/51/88/183125188.db2.gz PDJVYAUURLPKAT-ZDUSSCGKSA-N 2 1 226.364 1.223 10 0 BDAEMP OC[C@@H]1CC[NH2+]CC[N@H+]1CC1CCCCC1 ZINC000067172121 183125190 /nfs/dbraw/zinc/12/51/90/183125190.db2.gz PDJVYAUURLPKAT-ZDUSSCGKSA-N 2 1 226.364 1.223 10 0 BDAEMP c1cc(CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000037904656 183338700 /nfs/dbraw/zinc/33/87/00/183338700.db2.gz PGWHVAUJPYLEEI-AWEZNQCLSA-N 2 1 245.370 1.698 10 0 BDAEMP CCC[N@H+]1CCc2nc(C[C@@H](C)[NH3+])sc2C1 ZINC000054160947 169208847 /nfs/dbraw/zinc/20/88/47/169208847.db2.gz XRXUXRUEKUMQTG-SECBINFHSA-N 2 1 239.388 1.801 10 0 BDAEMP CCC[NH2+]CC[C@H](C)N1CC[N@@H+](C)[C@H](CC)C1 ZINC000104126327 169261695 /nfs/dbraw/zinc/26/16/95/169261695.db2.gz OCFZTPMOBIBVQD-UONOGXRCSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+]C[C@@H]1CC[C@H](Cn2cc[nH+]c2C)O1 ZINC000052576184 169262479 /nfs/dbraw/zinc/26/24/79/169262479.db2.gz WRQZABJJJSIMJZ-QWHCGFSZSA-N 2 1 237.347 1.739 10 0 BDAEMP CCC[NH2+]C[C@H](C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191999 169264015 /nfs/dbraw/zinc/26/40/15/169264015.db2.gz LTDGBCBASPJCNJ-UONOGXRCSA-N 2 1 241.423 1.506 10 0 BDAEMP CCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)nn1 ZINC000051491146 169266642 /nfs/dbraw/zinc/26/66/42/169266642.db2.gz YHRPHNMIMUKEKI-UHFFFAOYSA-N 2 1 231.303 1.470 10 0 BDAEMP CCC[NH2+][C@H]1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000053875915 169290915 /nfs/dbraw/zinc/29/09/15/169290915.db2.gz FUNVITOQECLYRL-MCIONIFRSA-N 2 1 240.391 1.611 10 0 BDAEMP CC[C@@H]1CN(CC2(C[NH3+])CCCC2)CC[N@H+]1C ZINC000104134987 171077219 /nfs/dbraw/zinc/07/72/19/171077219.db2.gz DNYQKKZODPDQRT-CYBMUJFWSA-N 2 1 239.407 1.532 10 0 BDAEMP Cc1cc[nH+]c(N(C)C[C@H]2CC[NH2+]C2)c1 ZINC000095071221 384338704 /nfs/dbraw/zinc/33/87/04/384338704.db2.gz MWVKFSCIZAQTJT-NSHDSACASA-N 2 1 205.305 1.436 10 0 BDAEMP Cn1c2ccccc2[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000335578767 384931071 /nfs/dbraw/zinc/93/10/71/384931071.db2.gz GSFFXPCOWWJUMF-QWRGUYRKSA-N 2 1 244.342 1.677 10 0 BDAEMP CC(C)[C@H](C[NH3+])[N@@H+]1CCCO[C@H](C)C1 ZINC000061916112 385003887 /nfs/dbraw/zinc/00/38/87/385003887.db2.gz HCFMWMXTLAOOQE-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H](C[NH3+])[N@H+]1CCCO[C@H](C)C1 ZINC000061916112 385003892 /nfs/dbraw/zinc/00/38/92/385003892.db2.gz HCFMWMXTLAOOQE-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP Cn1c2cc(F)ccc2[nH+]c1NCC[NH3+] ZINC000107205478 385188226 /nfs/dbraw/zinc/18/82/26/385188226.db2.gz MSMPXHKHJKPYFP-UHFFFAOYSA-N 2 1 208.240 1.083 10 0 BDAEMP C[C@H]1C[C@@]2(CC[N@H+]1C)[NH2+]C(C)(C)CS2 ZINC000156990457 385479653 /nfs/dbraw/zinc/47/96/53/385479653.db2.gz MVMGRQSXKKYAPO-ONGXEEELSA-N 2 1 214.378 1.912 10 0 BDAEMP C([C@H]1CCCSC1)[N@H+]1CCC[NH2+]CC1 ZINC000258148517 385545191 /nfs/dbraw/zinc/54/51/91/385545191.db2.gz NCODKDSCCYBXHK-LLVKDONJSA-N 2 1 214.378 1.425 10 0 BDAEMP C[NH2+]C[C@@H]1CCCC[N@@H+]1[C@@H]1CCSC1 ZINC000063166725 386330873 /nfs/dbraw/zinc/33/08/73/386330873.db2.gz CHEOXOMGKHTHHS-WDEREUQCSA-N 2 1 214.378 1.566 10 0 BDAEMP C[NH2+]C[C@@H]1CCCC[N@H+]1[C@@H]1CCSC1 ZINC000063166725 386330877 /nfs/dbraw/zinc/33/08/77/386330877.db2.gz CHEOXOMGKHTHHS-WDEREUQCSA-N 2 1 214.378 1.566 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000647971251 386509891 /nfs/dbraw/zinc/50/98/91/386509891.db2.gz ZZPQGPAXYNTFFL-HZSPNIEDSA-N 2 1 240.391 1.421 10 0 BDAEMP CC[N@@H+](CCN[C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000519698306 386533792 /nfs/dbraw/zinc/53/37/92/386533792.db2.gz IKQOQUDQGYUGMU-OLZOCXBDSA-N 2 1 239.407 1.448 10 0 BDAEMP CCN(CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000519698306 386533795 /nfs/dbraw/zinc/53/37/95/386533795.db2.gz IKQOQUDQGYUGMU-OLZOCXBDSA-N 2 1 239.407 1.448 10 0 BDAEMP CC[C@H](COC)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396540502 386772672 /nfs/dbraw/zinc/77/26/72/386772672.db2.gz AIYOKZYJQVZLJU-HBNTYKKESA-N 2 1 200.326 1.142 10 0 BDAEMP C[NH2+][C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000053201877 387018734 /nfs/dbraw/zinc/01/87/34/387018734.db2.gz RDQWETJOYQUXHQ-JTQLQIEISA-N 2 1 214.378 1.566 10 0 BDAEMP C[NH2+][C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000053201877 387018741 /nfs/dbraw/zinc/01/87/41/387018741.db2.gz RDQWETJOYQUXHQ-JTQLQIEISA-N 2 1 214.378 1.566 10 0 BDAEMP Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000334881764 387023994 /nfs/dbraw/zinc/02/39/94/387023994.db2.gz KKRBSENIMSOZBT-FUNVUKJBSA-N 2 1 232.327 1.765 10 0 BDAEMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1[C@@H]1CCSC1 ZINC000575480273 387169566 /nfs/dbraw/zinc/16/95/66/387169566.db2.gz HSFOMFYBYVWCCI-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1[C@@H]1CCSC1 ZINC000575480273 387169570 /nfs/dbraw/zinc/16/95/70/387169570.db2.gz HSFOMFYBYVWCCI-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CSC1 ZINC000575487122 387256777 /nfs/dbraw/zinc/25/67/77/387256777.db2.gz KZISQSMGLYVLNU-WCBMZHEXSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCS2)C1 ZINC000575523938 387456826 /nfs/dbraw/zinc/45/68/26/387456826.db2.gz ZRYHGSOSBPGGFU-NXEZZACHSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCS2)C1 ZINC000575523938 387456829 /nfs/dbraw/zinc/45/68/29/387456829.db2.gz ZRYHGSOSBPGGFU-NXEZZACHSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@@H]1CS[C@]2(CC[NH2+]C(C)(C)C2)[NH2+]1 ZINC000575512891 387385744 /nfs/dbraw/zinc/38/57/44/387385744.db2.gz UUVSYVBUBWCCJH-SCZZXKLOSA-N 2 1 200.351 1.570 10 0 BDAEMP CC[C@H]1C[N@@H+](C2CSC2)CCC[NH2+]1 ZINC000575548792 387646245 /nfs/dbraw/zinc/64/62/45/387646245.db2.gz HFFGDBQMFZTAFV-VIFPVBQESA-N 2 1 200.351 1.176 10 0 BDAEMP CC[C@H]1C[N@H+](C2CSC2)CCC[NH2+]1 ZINC000575548792 387646247 /nfs/dbraw/zinc/64/62/47/387646247.db2.gz HFFGDBQMFZTAFV-VIFPVBQESA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]([NH2+]CCN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643456760 387691920 /nfs/dbraw/zinc/69/19/20/387691920.db2.gz WWRGXHUBBQVPMT-OLZOCXBDSA-N 2 1 225.380 1.060 10 0 BDAEMP C[NH2+][C@H]1CC[N@H+](C2CSC2)[C@@H](C)C1 ZINC000575565157 387725880 /nfs/dbraw/zinc/72/58/80/387725880.db2.gz DSRMDHFTRCFQGL-IUCAKERBSA-N 2 1 200.351 1.174 10 0 BDAEMP C[NH2+][C@H]1CC[N@@H+](C2CSC2)[C@@H](C)C1 ZINC000575565157 387725885 /nfs/dbraw/zinc/72/58/85/387725885.db2.gz DSRMDHFTRCFQGL-IUCAKERBSA-N 2 1 200.351 1.174 10 0 BDAEMP CCOC1CC(CC[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423074801 387875329 /nfs/dbraw/zinc/87/53/29/387875329.db2.gz VIZAVTWUZBCMKL-CXQJBGSLSA-N 2 1 212.337 1.143 10 0 BDAEMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000086724716 388107871 /nfs/dbraw/zinc/10/78/71/388107871.db2.gz SLKNLMABKPWFTA-STQMWFEESA-N 3 1 227.396 1.448 10 0 BDAEMP C[C@@H]1CC[C@@H](C[N@@H+](C)[C@H]2CCC[NH2+]CC2)O1 ZINC000300232651 388356230 /nfs/dbraw/zinc/35/62/30/388356230.db2.gz HOHHSTDJVKTSCG-AGIUHOORSA-N 2 1 226.364 1.628 10 0 BDAEMP C[C@]1(C(=[NH2+])NO)CC[N@@H+](Cc2ccccc2)C1 ZINC000575521193 388356907 /nfs/dbraw/zinc/35/69/07/388356907.db2.gz PQPVYYDZECLIQC-ZDUSSCGKSA-N 2 1 233.315 1.855 10 0 BDAEMP CC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566089449 388986609 /nfs/dbraw/zinc/98/66/09/388986609.db2.gz WYAWUVZXKGHEOI-MCIONIFRSA-N 2 1 239.407 1.306 10 0 BDAEMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566089449 388986612 /nfs/dbraw/zinc/98/66/12/388986612.db2.gz WYAWUVZXKGHEOI-MCIONIFRSA-N 3 1 239.407 1.306 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566089449 388986615 /nfs/dbraw/zinc/98/66/15/388986615.db2.gz WYAWUVZXKGHEOI-MCIONIFRSA-N 3 1 239.407 1.306 10 0 BDAEMP C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000037469392 132344540 /nfs/dbraw/zinc/34/45/40/132344540.db2.gz SFBLMDKRWZXRLI-UHFFFAOYSA-N 2 1 205.305 1.578 10 0 BDAEMP Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000274402540 132202877 /nfs/dbraw/zinc/20/28/77/132202877.db2.gz YCBYBKLOUDAXIU-STQMWFEESA-N 2 1 249.358 1.281 10 0 BDAEMP CCc1cc(N2CCC[C@H](C)[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000250505930 132231622 /nfs/dbraw/zinc/23/16/22/132231622.db2.gz IUGBDBBHGYPWPW-GXFFZTMASA-N 2 1 248.374 1.911 10 0 BDAEMP C[NH+](C)C1CCN(c2ccc(N)c[nH+]2)CC1 ZINC000036191131 132340641 /nfs/dbraw/zinc/34/06/41/132340641.db2.gz QGKYCNGOJVIHDR-UHFFFAOYSA-N 2 1 220.320 1.194 10 0 BDAEMP CN1c2ccccc2[C@H]([NH2+]CCC[NH3+])CC1=O ZINC000037713860 132345170 /nfs/dbraw/zinc/34/51/70/132345170.db2.gz RHYYXOVEDXBLCG-LLVKDONJSA-N 2 1 233.315 1.033 10 0 BDAEMP Cc1cccc(N2C[C@H](C[NH3+])CC[C@@H]2C)[nH+]1 ZINC000053704611 132363131 /nfs/dbraw/zinc/36/31/31/132363131.db2.gz HZIQURIANINRQJ-RYUDHWBXSA-N 2 1 219.332 1.954 10 0 BDAEMP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC3)CC[C@@H]21 ZINC000179586640 134322066 /nfs/dbraw/zinc/32/20/66/134322066.db2.gz DAHQLXBLVVDNQD-YPMHNXCESA-N 2 1 208.349 1.955 10 0 BDAEMP Cc1cccc(N[C@H]2CC[C@H](C[NH3+])C2)[nH+]1 ZINC000257666495 135138477 /nfs/dbraw/zinc/13/84/77/135138477.db2.gz ZFFMABKYAPAYGZ-QWRGUYRKSA-N 2 1 205.305 1.929 10 0 BDAEMP Cc1cccc(N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC000257750864 135141823 /nfs/dbraw/zinc/14/18/23/135141823.db2.gz UTJCRXJNSYCOJL-AWEZNQCLSA-N 2 1 231.343 1.970 10 0 BDAEMP CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000261536822 135172655 /nfs/dbraw/zinc/17/26/55/135172655.db2.gz TUZZSACGNHGNGW-VXGBXAGGSA-N 2 1 208.349 1.718 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncc(F)c3)C[C@H]12 ZINC000261540382 135179547 /nfs/dbraw/zinc/17/95/47/135179547.db2.gz ABGSWHXDBBNZJO-KGYLQXTDSA-N 2 1 235.306 1.390 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]12 ZINC000261540382 135179548 /nfs/dbraw/zinc/17/95/48/135179548.db2.gz ABGSWHXDBBNZJO-KGYLQXTDSA-N 2 1 235.306 1.390 10 0 BDAEMP CCc1cc(NC[C@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000084082151 135182868 /nfs/dbraw/zinc/18/28/68/135182868.db2.gz MJWAZGAQABGTIE-NSHDSACASA-N 2 1 222.336 1.743 10 0 BDAEMP CCC1(C[N@H+]2CC[C@@H](C[NH3+])C2)CCOCC1 ZINC000261560912 135202171 /nfs/dbraw/zinc/20/21/71/135202171.db2.gz AIGUCKKMFQCTKX-LBPRGKRZSA-N 2 1 226.364 1.474 10 0 BDAEMP CCc1cc(N2CC[C@H]([NH3+])C(C)(C)C2)nc(C)[nH+]1 ZINC000261571226 135213310 /nfs/dbraw/zinc/21/33/10/135213310.db2.gz KYIWTCJXTZNMMO-LBPRGKRZSA-N 2 1 248.374 1.911 10 0 BDAEMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000261690487 135245951 /nfs/dbraw/zinc/24/59/51/135245951.db2.gz KSHBJUVYLVGDEF-ZDUSSCGKSA-N 3 1 239.407 1.435 10 0 BDAEMP CC1(C)CN(CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000261690487 135245952 /nfs/dbraw/zinc/24/59/52/135245952.db2.gz KSHBJUVYLVGDEF-ZDUSSCGKSA-N 2 1 239.407 1.435 10 0 BDAEMP C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262034416 135274867 /nfs/dbraw/zinc/27/48/67/135274867.db2.gz OJYKYJQUNAGERT-WCQYABFASA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@@H](c1cnn(C)c1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262034416 135274869 /nfs/dbraw/zinc/27/48/69/135274869.db2.gz OJYKYJQUNAGERT-WCQYABFASA-N 2 1 236.363 1.413 10 0 BDAEMP NCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000262964298 135325114 /nfs/dbraw/zinc/32/51/14/135325114.db2.gz LAKYMPCIIAQXNP-UONOGXRCSA-N 2 1 234.343 1.533 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000263115277 135334318 /nfs/dbraw/zinc/33/43/18/135334318.db2.gz AOVCZRIRURLUOB-ZYHUDNBSSA-N 2 1 240.734 1.010 10 0 BDAEMP [NH3+][C@H]1C[N@H+](Cc2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000584624880 398079500 /nfs/dbraw/zinc/07/95/00/398079500.db2.gz IFZQHKNYXDFHHA-MJBXVCDLSA-N 2 1 216.328 1.998 10 0 BDAEMP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000584624880 398079503 /nfs/dbraw/zinc/07/95/03/398079503.db2.gz IFZQHKNYXDFHHA-MJBXVCDLSA-N 2 1 216.328 1.998 10 0 BDAEMP C[C@H]([NH3+])CC[NH2+]Cc1cc(F)ccc1F ZINC000258820059 322876711 /nfs/dbraw/zinc/87/67/11/322876711.db2.gz UDMLZRGFUWMUOR-QMMMGPOBSA-N 2 1 214.259 1.792 10 0 BDAEMP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCC[C@@H](O)C1 ZINC000051257106 167002254 /nfs/dbraw/zinc/00/22/54/167002254.db2.gz FJSMCWRYAUXRQG-CYBMUJFWSA-N 2 1 242.407 1.715 10 0 BDAEMP CC(C)C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275662354 167008546 /nfs/dbraw/zinc/00/85/46/167008546.db2.gz VDNOVSYSGNATHT-LLVKDONJSA-N 2 1 207.321 1.691 10 0 BDAEMP CC(C)[NH2+]CCNCCC[N@H+]1CCCC[C@H]1C ZINC000049477773 167107188 /nfs/dbraw/zinc/10/71/88/167107188.db2.gz PFTLNNVNGZFFBZ-CQSZACIVSA-N 2 1 241.423 1.839 10 0 BDAEMP CC(C)[NH2+]C[C@@H](C)CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053249969 167111767 /nfs/dbraw/zinc/11/17/67/167111767.db2.gz YWUUDWDHGFYYIB-ZIAGYGMSSA-N 2 1 241.423 1.647 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CCCCN1c1[nH+]ccn1C ZINC000053699469 167115644 /nfs/dbraw/zinc/11/56/44/167115644.db2.gz NRMGTTQDNTVAFT-GFCCVEGCSA-N 2 1 236.363 1.777 10 0 BDAEMP Cc1cc(NCC2([NH3+])CCCC2)nc(C)[nH+]1 ZINC000656610194 411308689 /nfs/dbraw/zinc/30/86/89/411308689.db2.gz JFNFILYYQVGDBT-UHFFFAOYSA-N 2 1 220.320 1.777 10 0 BDAEMP CC1CCC(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358137567 168155519 /nfs/dbraw/zinc/15/55/19/168155519.db2.gz MBVXAWBHBGYRPX-RUXDESIVSA-N 2 1 240.391 1.469 10 0 BDAEMP CC1CCC(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358137567 168155520 /nfs/dbraw/zinc/15/55/20/168155520.db2.gz MBVXAWBHBGYRPX-RUXDESIVSA-N 2 1 240.391 1.469 10 0 BDAEMP CCc1cc(N2CC[C@@H]([NH3+])[C@H](CC)C2)nc(C)[nH+]1 ZINC000122915531 411436609 /nfs/dbraw/zinc/43/66/09/411436609.db2.gz NBJURJFOEAYIIZ-DGCLKSJQSA-N 2 1 248.374 1.911 10 0 BDAEMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[C@H]1O ZINC000659950156 411508503 /nfs/dbraw/zinc/50/85/03/411508503.db2.gz XWVNPJVVMMRLTK-YNEHKIRRSA-N 2 1 226.364 1.173 10 0 BDAEMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[C@H]1O ZINC000659950156 411508504 /nfs/dbraw/zinc/50/85/04/411508504.db2.gz XWVNPJVVMMRLTK-YNEHKIRRSA-N 2 1 226.364 1.173 10 0 BDAEMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[C@H]1O ZINC000659950156 411508505 /nfs/dbraw/zinc/50/85/05/411508505.db2.gz XWVNPJVVMMRLTK-YNEHKIRRSA-N 2 1 226.364 1.173 10 0 BDAEMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[C@H]1O ZINC000659950156 411508506 /nfs/dbraw/zinc/50/85/06/411508506.db2.gz XWVNPJVVMMRLTK-YNEHKIRRSA-N 2 1 226.364 1.173 10 0 BDAEMP CC[N@H+]1CC[C@@H](CN2CCC[NH2+]CCC2)C1 ZINC000049666738 170006198 /nfs/dbraw/zinc/00/61/98/170006198.db2.gz HPAHYAHOXKAVIE-CYBMUJFWSA-N 2 1 225.380 1.014 10 0 BDAEMP CC[N@H+]1CC[C@@H](CNC2=[NH+]CCS2)C1 ZINC000037484492 170007214 /nfs/dbraw/zinc/00/72/14/170007214.db2.gz SMGFKJRSVLQKPE-VIFPVBQESA-N 2 1 213.350 1.021 10 0 BDAEMP CC[N@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)S2)C1 ZINC000037484499 170015504 /nfs/dbraw/zinc/01/55/04/170015504.db2.gz MPRXVAJHBOOTEV-VHSXEESVSA-N 2 1 227.377 1.409 10 0 BDAEMP CC[N@H+]1CC[C@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000037484497 170015670 /nfs/dbraw/zinc/01/56/70/170015670.db2.gz FSEMAHVYUVOELU-SNVBAGLBSA-N 2 1 241.404 1.799 10 0 BDAEMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000328277859 170021724 /nfs/dbraw/zinc/02/17/24/170021724.db2.gz RDAVQLVGTWHWMT-XQQFMLRXSA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000328277859 170021726 /nfs/dbraw/zinc/02/17/26/170021726.db2.gz RDAVQLVGTWHWMT-XQQFMLRXSA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000328277859 170021728 /nfs/dbraw/zinc/02/17/28/170021728.db2.gz RDAVQLVGTWHWMT-XQQFMLRXSA-N 2 1 225.380 1.153 10 0 BDAEMP CC[N@H+]1C[C@H](NCc2ccn(C)c2)[C@@H](C)C1 ZINC000336781205 170037074 /nfs/dbraw/zinc/03/70/74/170037074.db2.gz UBWADSKARBNFQO-AAEUAGOBSA-N 2 1 221.348 1.455 10 0 BDAEMP CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037757982 170092504 /nfs/dbraw/zinc/09/25/04/170092504.db2.gz OVYDHXUTDFILGO-NSHDSACASA-N 2 1 249.358 1.102 10 0 BDAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCOCC1 ZINC000054628237 170109381 /nfs/dbraw/zinc/10/93/81/170109381.db2.gz ZSEHGMVLFWJMPU-QXMXGUDHSA-N 2 1 238.375 1.770 10 0 BDAEMP CC[NH2+]Cc1occc1C[N@@H+](C)CCCOC ZINC000062035989 170132539 /nfs/dbraw/zinc/13/25/39/170132539.db2.gz LXMPTHKRIAMQBY-UHFFFAOYSA-N 2 1 240.347 1.857 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000049711409 170151926 /nfs/dbraw/zinc/15/19/26/170151926.db2.gz NMUVROYJCUSVBO-WCQYABFASA-N 2 1 226.364 1.485 10 0 BDAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@@H+](CC)CCO ZINC000053869605 170153441 /nfs/dbraw/zinc/15/34/41/170153441.db2.gz RUKKHNHUGFUSGS-BFHYXJOUSA-N 2 1 242.407 1.715 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCCC[C@@H]1CO ZINC000053877175 170166967 /nfs/dbraw/zinc/16/69/67/170166967.db2.gz GZJUWNKFJJDCKU-MJBXVCDLSA-N 2 1 240.391 1.611 10 0 BDAEMP CCOCC[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049662719 170397370 /nfs/dbraw/zinc/39/73/70/170397370.db2.gz JJPOFXSHEHPHLC-NSHDSACASA-N 2 1 200.326 1.097 10 0 BDAEMP C[N@@H+]1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616600512 411894347 /nfs/dbraw/zinc/89/43/47/411894347.db2.gz BTPZUMPCWNAUBM-JTQLQIEISA-N 2 1 205.305 1.863 10 0 BDAEMP C[N@H+]1CCC[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616600512 411894350 /nfs/dbraw/zinc/89/43/50/411894350.db2.gz BTPZUMPCWNAUBM-JTQLQIEISA-N 2 1 205.305 1.863 10 0 BDAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000049662847 171012302 /nfs/dbraw/zinc/01/23/02/171012302.db2.gz MCGOEQVXXQPZDM-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000662276233 412069101 /nfs/dbraw/zinc/06/91/01/412069101.db2.gz HMZKEASJLDPVPA-BBBLOLIVSA-N 2 1 220.307 1.947 10 0 BDAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000662276233 412069104 /nfs/dbraw/zinc/06/91/04/412069104.db2.gz HMZKEASJLDPVPA-BBBLOLIVSA-N 2 1 220.307 1.947 10 0 BDAEMP CC[C@@](C)(C[NH3+])[N@H+]1CCCO[C@H](C)C1 ZINC000061916215 171166236 /nfs/dbraw/zinc/16/62/36/171166236.db2.gz SWOKRZPXMFDFNY-MNOVXSKESA-N 2 1 200.326 1.225 10 0 BDAEMP CC[C@@](C)(C[NH2+]C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191476 171166386 /nfs/dbraw/zinc/16/63/86/171166386.db2.gz ZNRDXXVRSOGQDE-KGLIPLIRSA-N 2 1 241.423 1.506 10 0 BDAEMP CC[C@@](C)(C[NH3+])C[N@@H+](CCO)C1CCCCC1 ZINC000051254023 171167046 /nfs/dbraw/zinc/16/70/46/171167046.db2.gz LNKIQTMXADEMKG-AWEZNQCLSA-N 2 1 242.407 1.988 10 0 BDAEMP CC[C@@](C)(C[NH3+])C[N@@H+](CCCOC)CCOC ZINC000051253501 171167300 /nfs/dbraw/zinc/16/73/00/171167300.db2.gz JENHZNPYIMTESC-ZDUSSCGKSA-N 2 1 246.395 1.346 10 0 BDAEMP CCc1nnc(C[NH+]2CCC([C@H](C)[NH3+])CC2)o1 ZINC000104140783 172048896 /nfs/dbraw/zinc/04/88/96/172048896.db2.gz SPRSILPDNBLSBZ-VIFPVBQESA-N 2 1 238.335 1.191 10 0 BDAEMP CCn1cc[nH+]c1N1CCCC[C@H]1[C@@H](C)[NH2+]C ZINC000104413358 172225338 /nfs/dbraw/zinc/22/53/38/172225338.db2.gz GCQCFAKTHHUCPB-NEPJUHHUSA-N 2 1 236.363 1.870 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000310326569 487624195 /nfs/dbraw/zinc/62/41/95/487624195.db2.gz ARPKKOXWZYXYDQ-GXTWGEPZSA-N 2 1 242.407 1.856 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CNC1=[NH+]C(C)(C)CS1 ZINC000044563801 173004460 /nfs/dbraw/zinc/00/44/60/173004460.db2.gz LQQWRSNSWYNKJU-SNVBAGLBSA-N 2 1 241.404 1.942 10 0 BDAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000020217636 173016490 /nfs/dbraw/zinc/01/64/90/173016490.db2.gz ZZARUMKIVNSOPT-NSHDSACASA-N 2 1 239.388 1.385 10 0 BDAEMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000054243908 173042370 /nfs/dbraw/zinc/04/23/70/173042370.db2.gz FNPMVPAKLJZWIF-PNESKVBLSA-N 3 1 225.380 1.188 10 0 BDAEMP CN1CCC[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000054243908 173042372 /nfs/dbraw/zinc/04/23/72/173042372.db2.gz FNPMVPAKLJZWIF-PNESKVBLSA-N 2 1 225.380 1.188 10 0 BDAEMP C[N@@H+]1CC[C@H](CNc2[nH+]cccc2N)C1 ZINC000037655373 173147103 /nfs/dbraw/zinc/14/71/03/173147103.db2.gz PUIKWSOVKQTGOJ-SECBINFHSA-N 2 1 206.293 1.027 10 0 BDAEMP C[N@H+]1CC[C@H](CNc2[nH+]cccc2N)C1 ZINC000037655373 173147105 /nfs/dbraw/zinc/14/71/05/173147105.db2.gz PUIKWSOVKQTGOJ-SECBINFHSA-N 2 1 206.293 1.027 10 0 BDAEMP C[N@@H+]1CC[C@H](Cn2c[nH+]c3cc(N)ccc32)C1 ZINC000052853029 173147431 /nfs/dbraw/zinc/14/74/31/173147431.db2.gz NMSTYDLECKXUDM-JTQLQIEISA-N 2 1 230.315 1.570 10 0 BDAEMP C[N@H+]1CC[C@H](Cn2c[nH+]c3cc(N)ccc32)C1 ZINC000052853029 173147433 /nfs/dbraw/zinc/14/74/33/173147433.db2.gz NMSTYDLECKXUDM-JTQLQIEISA-N 2 1 230.315 1.570 10 0 BDAEMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCC[C@H]3O)C2)C1 ZINC000310464748 173167040 /nfs/dbraw/zinc/16/70/40/173167040.db2.gz ZAIUNIFATQGSIC-MJBXVCDLSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCC[C@H]3O)C2)C1 ZINC000310464748 173167042 /nfs/dbraw/zinc/16/70/42/173167042.db2.gz ZAIUNIFATQGSIC-MJBXVCDLSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCC[C@H]3O)C2)C1 ZINC000310464748 173167044 /nfs/dbraw/zinc/16/70/44/173167044.db2.gz ZAIUNIFATQGSIC-MJBXVCDLSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH2+]C1CCN([C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000049568540 173324218 /nfs/dbraw/zinc/32/42/18/173324218.db2.gz UVFPKPLOQCRYBK-KGLIPLIRSA-N 2 1 237.391 1.297 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711756 173337619 /nfs/dbraw/zinc/33/76/19/173337619.db2.gz DXLJQAAYSQDJEG-GFCCVEGCSA-N 2 1 226.364 1.223 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H](O)C2)CCCC1 ZINC000051257021 173337679 /nfs/dbraw/zinc/33/76/79/173337679.db2.gz FJYBNOLJYVGVIJ-LBPRGKRZSA-N 2 1 226.364 1.223 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H](O)C2)CCCC1 ZINC000051257023 173337894 /nfs/dbraw/zinc/33/78/94/173337894.db2.gz FJYBNOLJYVGVIJ-GFCCVEGCSA-N 2 1 226.364 1.223 10 0 BDAEMP C[NH2+]CC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000053664056 173338880 /nfs/dbraw/zinc/33/88/80/173338880.db2.gz NOPWNEYEQHEOMZ-UHFFFAOYSA-N 2 1 219.332 1.826 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@H+]2CCC[C@H](C)C2)CCCOC1 ZINC000104321318 173373204 /nfs/dbraw/zinc/37/32/04/173373204.db2.gz YDHYMBGQOLOLAX-UONOGXRCSA-N 2 1 240.391 1.735 10 0 BDAEMP C[NH2+]C[C@H]1CC[C@@H](Cn2c[nH+]c(C)c2C)O1 ZINC000052593685 173382710 /nfs/dbraw/zinc/38/27/10/173382710.db2.gz HIQAXJUQAXXJAQ-NEPJUHHUSA-N 2 1 223.320 1.267 10 0 BDAEMP C[NH2+]Cc1ccccc1Cn1cc[nH+]c1C ZINC000052576211 173390054 /nfs/dbraw/zinc/39/00/54/173390054.db2.gz AKHYNXFBLSQTCR-UHFFFAOYSA-N 2 1 215.300 1.959 10 0 BDAEMP C[NH2+]Cc1ccoc1CN1CC[NH+](C2CC2)CC1 ZINC000052371291 173391514 /nfs/dbraw/zinc/39/15/14/173391514.db2.gz IFZMDEAALMBVSL-UHFFFAOYSA-N 2 1 249.358 1.279 10 0 BDAEMP C[NH2+][C@H]1CCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043890054 173460858 /nfs/dbraw/zinc/46/08/58/173460858.db2.gz WSCUEISLGAELQJ-QWHCGFSZSA-N 2 1 226.364 1.628 10 0 BDAEMP COC1CCC([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000310247994 174022328 /nfs/dbraw/zinc/02/23/28/174022328.db2.gz CYKPELCQIARGFM-BLYZHGLHSA-N 2 1 240.391 1.861 10 0 BDAEMP COCCC[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665802 174233547 /nfs/dbraw/zinc/23/35/47/174233547.db2.gz VMHPHMZKZVSGHG-TXEJJXNPSA-N 2 1 214.353 1.485 10 0 BDAEMP COCC[N@@H+](CC(C)(C)C[NH2+]C1CC1)C1CC1 ZINC000051253341 174287091 /nfs/dbraw/zinc/28/70/91/174287091.db2.gz OJVCHJYEJOIJHE-UHFFFAOYSA-N 2 1 240.391 1.875 10 0 BDAEMP COCC[N@@H+](CC(C)C)C[C@H](C)C[NH2+]C1CC1 ZINC000052508461 174287272 /nfs/dbraw/zinc/28/72/72/174287272.db2.gz LFZWXLLFDMHVLE-CYBMUJFWSA-N 2 1 242.407 1.979 10 0 BDAEMP COCC[N@@H+](CCCCC(N)=[NH2+])[C@@H](C)COC ZINC000042607951 174291341 /nfs/dbraw/zinc/29/13/41/174291341.db2.gz MTWNMZAQQKKBEJ-NSHDSACASA-N 2 1 245.367 1.076 10 0 BDAEMP COCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062623417 174306246 /nfs/dbraw/zinc/30/62/46/174306246.db2.gz UWMXKPJJCYJFFE-OAHLLOKOSA-N 2 1 248.370 1.539 10 0 BDAEMP COCC[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062623417 174306247 /nfs/dbraw/zinc/30/62/47/174306247.db2.gz UWMXKPJJCYJFFE-OAHLLOKOSA-N 2 1 248.370 1.539 10 0 BDAEMP C[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCCOCC2)C1 ZINC000061916614 176133844 /nfs/dbraw/zinc/13/38/44/176133844.db2.gz FGWJJXRXLQCEHY-CHWSQXEVSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267744 176174422 /nfs/dbraw/zinc/17/44/22/176174422.db2.gz VEZGUTKUBPSWHO-SECBINFHSA-N 2 1 235.306 1.952 10 0 BDAEMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH3+])CCCO1 ZINC000061934201 176284828 /nfs/dbraw/zinc/28/48/28/176284828.db2.gz DVIKXKQUCOBMBK-SNVBAGLBSA-N 2 1 200.326 1.082 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2CCC([NH3+])CC2)[C@H](C)CO1 ZINC000037482477 176286962 /nfs/dbraw/zinc/28/69/62/176286962.db2.gz YPKBZHMSRLYMHL-OKZRHMCRSA-N 2 1 226.364 1.613 10 0 BDAEMP C[C@@H]1C[NH+]=C(NC[C@H]2CCCC[N@H+]2C)S1 ZINC000044563806 176324780 /nfs/dbraw/zinc/32/47/80/176324780.db2.gz QBKGGEXBVYVDPG-NXEZZACHSA-N 2 1 227.377 1.552 10 0 BDAEMP C[C@H]1C[N@@H+](CC2(C[NH3+])CCCC2)CCCO1 ZINC000061934216 177245023 /nfs/dbraw/zinc/24/50/23/177245023.db2.gz LRAUDRQAESVXTJ-LBPRGKRZSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1C ZINC000104351613 177247448 /nfs/dbraw/zinc/24/74/48/177247448.db2.gz KLMODVVHPZWDDF-ZDUSSCGKSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@H]1CN(CCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000104351613 177247450 /nfs/dbraw/zinc/24/74/50/177247450.db2.gz KLMODVVHPZWDDF-ZDUSSCGKSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@H]1CN(CCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000104351613 177247452 /nfs/dbraw/zinc/24/74/52/177247452.db2.gz KLMODVVHPZWDDF-ZDUSSCGKSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@H]1C[N@@H+](CCc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712376 177254946 /nfs/dbraw/zinc/25/49/46/177254946.db2.gz UMDAPTVHJKHRMV-AAEUAGOBSA-N 2 1 219.332 1.293 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=[NH2+])c2)C[C@H](C)O1 ZINC000019503353 177265017 /nfs/dbraw/zinc/26/50/17/177265017.db2.gz CYHQMPHPOABAEO-PHIMTYICSA-N 2 1 247.342 1.580 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2cccc(C(N)=[NH2+])c2)C[C@H](C)O1 ZINC000019503353 177265018 /nfs/dbraw/zinc/26/50/18/177265018.db2.gz CYHQMPHPOABAEO-PHIMTYICSA-N 2 1 247.342 1.580 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2C(N)=[NH2+])C[C@H](C)O1 ZINC000019519628 177265715 /nfs/dbraw/zinc/26/57/15/177265715.db2.gz OBQASJWFZHQQKM-PHIMTYICSA-N 2 1 247.342 1.580 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccccc2C(N)=[NH2+])C[C@H](C)O1 ZINC000019519628 177265717 /nfs/dbraw/zinc/26/57/17/177265717.db2.gz OBQASJWFZHQQKM-PHIMTYICSA-N 2 1 247.342 1.580 10 0 BDAEMP C[C@H]1C[NH+]=C(NC[C@H]2CC[N@@H+](C)C2)S1 ZINC000037485236 177282148 /nfs/dbraw/zinc/28/21/48/177282148.db2.gz XHRQKRWYRLLKGD-DTWKUNHWSA-N 2 1 213.350 1.019 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000044510691 177282558 /nfs/dbraw/zinc/28/25/58/177282558.db2.gz HITLIDVWUOEWGX-RYUDHWBXSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCC[NH+](C)C)C1 ZINC000049666114 177285987 /nfs/dbraw/zinc/28/59/87/177285987.db2.gz TZAAJXWAVDMJRU-STQMWFEESA-N 3 1 227.396 1.116 10 0 BDAEMP C[C@H]1COCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000035774116 177293046 /nfs/dbraw/zinc/29/30/46/177293046.db2.gz WSJCLZCUZQHDEM-NSHDSACASA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@H]1COCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000035774116 177293047 /nfs/dbraw/zinc/29/30/47/177293047.db2.gz WSJCLZCUZQHDEM-NSHDSACASA-N 2 1 220.316 1.366 10 0 BDAEMP CC[C@@H]1C[N@H+](Cc2cnn(C)c2C)CC[C@H]1[NH3+] ZINC000251657039 487781506 /nfs/dbraw/zinc/78/15/06/487781506.db2.gz GVGMREXICPWOLX-DGCLKSJQSA-N 2 1 236.363 1.288 10 0 BDAEMP CC[C@@H]1C[N@@H+](Cc2cnn(C)c2C)CC[C@H]1[NH3+] ZINC000251657039 487781509 /nfs/dbraw/zinc/78/15/09/487781509.db2.gz GVGMREXICPWOLX-DGCLKSJQSA-N 2 1 236.363 1.288 10 0 BDAEMP CCC[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000389517735 488099133 /nfs/dbraw/zinc/09/91/33/488099133.db2.gz GICPTFAOQLQQNW-QWHCGFSZSA-N 2 1 225.380 1.202 10 0 BDAEMP CCCN1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000389517735 488099136 /nfs/dbraw/zinc/09/91/36/488099136.db2.gz GICPTFAOQLQQNW-QWHCGFSZSA-N 2 1 225.380 1.202 10 0 BDAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000310734552 487482594 /nfs/dbraw/zinc/48/25/94/487482594.db2.gz DEKXFUFRLPNPRQ-DYEKYZERSA-N 2 1 246.354 1.974 10 0 BDAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000310734552 487482598 /nfs/dbraw/zinc/48/25/98/487482598.db2.gz DEKXFUFRLPNPRQ-DYEKYZERSA-N 2 1 246.354 1.974 10 0 BDAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304507664 487508676 /nfs/dbraw/zinc/50/86/76/487508676.db2.gz DBWWZNDKKOHXQP-QWHCGFSZSA-N 2 1 225.380 1.010 10 0 BDAEMP Cc1c(C[NH+]2CCC(C)([NH3+])CC2)cnn1C ZINC000647531114 490673736 /nfs/dbraw/zinc/67/37/36/490673736.db2.gz BMGLCQXNXRQZOX-UHFFFAOYSA-N 2 1 222.336 1.042 10 0 BDAEMP C[C@H](F)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757124170 582499161 /nfs/dbraw/zinc/49/91/61/582499161.db2.gz BYRMXPLDMKPXLL-JTQLQIEISA-N 2 1 200.301 1.562 10 0 BDAEMP COC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757126726 582501135 /nfs/dbraw/zinc/50/11/35/582501135.db2.gz GWNGOZZFTJLWPD-AVGNSLFASA-N 2 1 226.364 1.628 10 0 BDAEMP COC[C@H](C)[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757126726 582501136 /nfs/dbraw/zinc/50/11/36/582501136.db2.gz GWNGOZZFTJLWPD-AVGNSLFASA-N 2 1 226.364 1.628 10 0 BDAEMP COCC[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757135075 582513668 /nfs/dbraw/zinc/51/36/68/582513668.db2.gz YHBSAJRLOCZWMT-NEPJUHHUSA-N 2 1 212.337 1.097 10 0 BDAEMP COCC[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757135075 582513670 /nfs/dbraw/zinc/51/36/70/582513670.db2.gz YHBSAJRLOCZWMT-NEPJUHHUSA-N 2 1 212.337 1.097 10 0 BDAEMP Nc1cccc([C@H]2CC[C@H](C[NH3+])[NH2+]C2)c1 ZINC000757218549 582562957 /nfs/dbraw/zinc/56/29/57/582562957.db2.gz WABHZXWLJGDTIV-CMPLNLGQSA-N 2 1 205.305 1.063 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@]12C[N@H+](C(C)(C)C)CC[C@H]2O ZINC000725245817 538003574 /nfs/dbraw/zinc/00/35/74/538003574.db2.gz MCCRZRVWRPRLMM-NQBHXWOUSA-N 2 1 226.364 1.077 10 0 BDAEMP COC[C@H](C)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757125644 582499960 /nfs/dbraw/zinc/49/99/60/582499960.db2.gz FERQYMNDSKTXDE-RWMBFGLXSA-N 2 1 226.364 1.485 10 0 BDAEMP Nc1cccc([C@H]2CC[NH2+][C@H](C[NH3+])C2)c1 ZINC000757213363 582560894 /nfs/dbraw/zinc/56/08/94/582560894.db2.gz JRUBCPXZXHHPHJ-JQWIXIFHSA-N 2 1 205.305 1.063 10 0 BDAEMP CC(=O)c1ccc([C@H]2C[NH2+]C[C@H]([NH3+])C2)cc1 ZINC000757218657 582563479 /nfs/dbraw/zinc/56/34/79/582563479.db2.gz WQBXLJYRTOKOBA-CHWSQXEVSA-N 2 1 218.300 1.293 10 0 BDAEMP OCC[NH+]1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000398958921 583168782 /nfs/dbraw/zinc/16/87/82/583168782.db2.gz KRRYYGUVYOYIFT-CYBMUJFWSA-N 2 1 238.375 1.389 10 0 BDAEMP C[C@@H]1[NH2+][C@@H](c2cccc(C[NH3+])c2)CC[C@H]1[NH3+] ZINC000757211830 586439113 /nfs/dbraw/zinc/43/91/13/586439113.db2.gz IUONSDWSEARGKW-ZWKOPEQDSA-N 3 1 219.332 1.286 10 0 BDAEMP C[C@@H]1C[NH2+][C@H](c2cccc(C[NH3+])c2)[C@@H](N)C1 ZINC000757213602 586439832 /nfs/dbraw/zinc/43/98/32/586439832.db2.gz LCZIXMTWAXAYFZ-TVYUQYBPSA-N 2 1 219.332 1.143 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](c2cccc(C[NH3+])c2)[C@@H](N)C1 ZINC000757213603 586439857 /nfs/dbraw/zinc/43/98/57/586439857.db2.gz LCZIXMTWAXAYFZ-XDTLVQLUSA-N 2 1 219.332 1.143 10 0 BDAEMP [NH3+][C@H]1CC[NH2+][C@@H](c2ccc(C=O)s2)C1 ZINC000757215298 586440169 /nfs/dbraw/zinc/44/01/69/586440169.db2.gz NLCKDAXOUJFWFQ-IONNQARKSA-N 2 1 210.302 1.312 10 0 BDAEMP [NH3+][C@H]1CC[NH2+][C@H](c2ccc(C=O)s2)C1 ZINC000757215289 586440854 /nfs/dbraw/zinc/44/08/54/586440854.db2.gz NLCKDAXOUJFWFQ-CBAPKCEASA-N 2 1 210.302 1.312 10 0 BDAEMP C[C@@H]1[NH2+][C@H](c2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000757217728 586441865 /nfs/dbraw/zinc/44/18/65/586441865.db2.gz SDEIQVAUWPLADC-XDTLVQLUSA-N 3 1 219.332 1.286 10 0 BDAEMP CC(C)(C)n1cc([C@@H]2CC[NH2+][C@H](C[NH3+])C2)cn1 ZINC000757238517 586444058 /nfs/dbraw/zinc/44/40/58/586444058.db2.gz SIMAZKVIYZJHCR-PWSUYJOCSA-N 2 1 236.363 1.432 10 0 BDAEMP CC(C)(C)n1cc([C@@H]2CC[NH2+][C@@H](C[NH3+])C2)cn1 ZINC000757238520 586444146 /nfs/dbraw/zinc/44/41/46/586444146.db2.gz SIMAZKVIYZJHCR-ZYHUDNBSSA-N 2 1 236.363 1.432 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H]1N(C)C ZINC000124245962 589970858 /nfs/dbraw/zinc/97/08/58/589970858.db2.gz QMAYTBQZRTXGIT-STQMWFEESA-N 2 1 227.396 1.387 10 0 BDAEMP C[C@H]1CN(CCCCCC[NH3+])C[C@@H]1[NH+](C)C ZINC000124245962 589970860 /nfs/dbraw/zinc/97/08/60/589970860.db2.gz QMAYTBQZRTXGIT-STQMWFEESA-N 2 1 227.396 1.387 10 0 BDAEMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000129161529 591266863 /nfs/dbraw/zinc/26/68/63/591266863.db2.gz CWAMDSHSKZRHIR-KBPBESRZSA-N 2 1 239.407 1.593 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094462072 635352927 /nfs/dbraw/zinc/35/29/27/635352927.db2.gz ULNPHMGMRGZKFV-RFGFWPKPSA-N 2 1 237.391 1.010 10 0 BDAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000227650117 640844301 /nfs/dbraw/zinc/84/43/01/640844301.db2.gz GPMYQYDMYDTXTA-MGPQQGTHSA-N 2 1 237.391 1.297 10 0 BDAEMP CC(C)[C@H]1OC2(CC[NH2+]CC2)[NH2+]CC1(C)C ZINC000757143524 643308443 /nfs/dbraw/zinc/30/84/43/643308443.db2.gz NFNATHODQQDWEF-LLVKDONJSA-N 2 1 226.364 1.737 10 0 BDAEMP CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666786 643363721 /nfs/dbraw/zinc/36/37/21/643363721.db2.gz HDJMCMXHXGGUQM-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP OCc1cc(N2CC[N@H+]3CCCC[C@H]3C2)cc[nH+]1 ZINC000250255102 644749858 /nfs/dbraw/zinc/74/98/58/644749858.db2.gz SFYKAQVUWIQATA-AWEZNQCLSA-N 2 1 247.342 1.248 10 0 BDAEMP Cc1[nH]c(CN2CC[C@@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC000724775673 711612679 /nfs/dbraw/zinc/61/26/79/711612679.db2.gz CGHCZSOQIMQFHZ-LLVKDONJSA-N 2 1 222.336 1.162 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCOC(F)(F)F)C[C@@H]1C[NH3+] ZINC000713414777 712459251 /nfs/dbraw/zinc/45/92/51/712459251.db2.gz HPSFGCGKQXFYRB-BDAKNGLRSA-N 2 1 240.269 1.440 10 0 BDAEMP COCC1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000713930063 712473770 /nfs/dbraw/zinc/47/37/70/712473770.db2.gz ZIWZTEFOFROODK-CQLXCSJHSA-N 2 1 226.364 1.484 10 0 BDAEMP COCC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000713930063 712473771 /nfs/dbraw/zinc/47/37/71/712473771.db2.gz ZIWZTEFOFROODK-CQLXCSJHSA-N 2 1 226.364 1.484 10 0 BDAEMP [NH3+][C@H]1C[C@H](CNc2cc[nH+]cc2Cl)C1 ZINC000715113751 712510013 /nfs/dbraw/zinc/51/00/13/712510013.db2.gz KMSMNJGGDYXNHL-ZKCHVHJHSA-N 2 1 211.696 1.306 10 0 BDAEMP COC[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000721915317 710690573 /nfs/dbraw/zinc/69/05/73/710690573.db2.gz UHLONWPVEDHUGF-FQUUOJAGSA-N 2 1 240.391 1.574 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CNc1[nH+]c2ccccc2n1C ZINC000723793999 710731578 /nfs/dbraw/zinc/73/15/78/710731578.db2.gz XDZLCWDTINQJEU-MNOVXSKESA-N 2 1 244.342 1.841 10 0 BDAEMP CCc1ccccc1[C@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000669384788 711790249 /nfs/dbraw/zinc/79/02/49/711790249.db2.gz GJKUXNJHBZCHMH-OLZOCXBDSA-N 2 1 204.317 1.653 10 0 BDAEMP C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700403414 711991946 /nfs/dbraw/zinc/99/19/46/711991946.db2.gz INRYKXFDOQSIEW-CHWSQXEVSA-N 2 1 226.364 1.487 10 0 BDAEMP C[NH+]1C[C@@]2(C)C[NH+](CC(C)(C)O)C[C@]2(C)C1 ZINC000705665522 712134902 /nfs/dbraw/zinc/13/49/02/712134902.db2.gz FOBDUPHSQNUNSH-STQMWFEESA-N 2 1 226.364 1.031 10 0 BDAEMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]CC1 ZINC000708347537 712190285 /nfs/dbraw/zinc/19/02/85/712190285.db2.gz JCSZGUFZCCTWPG-STQMWFEESA-N 2 1 240.391 1.875 10 0 BDAEMP CC(=O)[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000111690305 712688189 /nfs/dbraw/zinc/68/81/89/712688189.db2.gz BJTQCRIZSVCYIE-ZDUSSCGKSA-N 2 1 235.331 1.574 10 0 BDAEMP C[C@@H]1C[NH2+][C@@](C)([C@H]2CCC[NH2+]C2)S1 ZINC000575517183 398174737 /nfs/dbraw/zinc/17/47/37/398174737.db2.gz HOQLQMXBLGMHTG-KXUCPTDWSA-N 2 1 200.351 1.427 10 0 BDAEMP C[N@@H+](CCc1cn[nH]c1)[C@@H]1CCC[NH2+]CC1 ZINC000380960515 398215037 /nfs/dbraw/zinc/21/50/37/398215037.db2.gz APPHLLWUGQOCCD-GFCCVEGCSA-N 2 1 222.336 1.026 10 0 BDAEMP Cc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc[nH+]1 ZINC000302221498 178167226 /nfs/dbraw/zinc/16/72/26/178167226.db2.gz NYJUDJIYFNRRGE-CQSZACIVSA-N 2 1 247.342 1.665 10 0 BDAEMP Cc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)cc[nH+]1 ZINC000302221498 178167228 /nfs/dbraw/zinc/16/72/28/178167228.db2.gz NYJUDJIYFNRRGE-CQSZACIVSA-N 2 1 247.342 1.665 10 0 BDAEMP Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])nc(C)[nH+]1 ZINC000038050687 178189415 /nfs/dbraw/zinc/18/94/15/178189415.db2.gz WXSASFGPYBAMHA-QWRGUYRKSA-N 2 1 220.320 1.775 10 0 BDAEMP CCC(CC)(C[NH2+][C@@H]1CC[NH2+]C1)SC ZINC000232936930 136230062 /nfs/dbraw/zinc/23/00/62/136230062.db2.gz AERFRVHLAODMEU-SNVBAGLBSA-N 2 1 216.394 1.860 10 0 BDAEMP CCC(CC)NC(=O)[C@H](C)[N@H+](CC)CCC[NH3+] ZINC000036731820 168382827 /nfs/dbraw/zinc/38/28/27/168382827.db2.gz KURDVKRNEMROPW-NSHDSACASA-N 2 1 243.395 1.350 10 0 BDAEMP CCC(CC)NC(=O)[C@H](C)[N@@H+](CC)CCC[NH3+] ZINC000036731820 168382828 /nfs/dbraw/zinc/38/28/28/168382828.db2.gz KURDVKRNEMROPW-NSHDSACASA-N 2 1 243.395 1.350 10 0 BDAEMP CC[N@H+]1C[C@H](C)[C@H](Nc2cc[nH+]cc2C)C1 ZINC000390657830 539027016 /nfs/dbraw/zinc/02/70/16/539027016.db2.gz RFXFFKWGPXUOFG-WCQYABFASA-N 2 1 219.332 1.564 10 0 BDAEMP C[C@@]([NH3+])(C[N@H+]1CCCSCC1)C1CC1 ZINC000042444960 361999891 /nfs/dbraw/zinc/99/98/91/361999891.db2.gz LIOJEZIJWWTSGM-LLVKDONJSA-N 2 1 214.378 1.553 10 0 BDAEMP COc1ccc([C@@H]([NH3+])Cn2cc[nH+]c2C)cc1 ZINC000038808942 342878328 /nfs/dbraw/zinc/87/83/28/342878328.db2.gz HFIZXPFMMUMEOK-ZDUSSCGKSA-N 2 1 231.299 1.900 10 0 BDAEMP C[C@@H](Cc1c[nH]c2ccccc12)[NH2+]CC[NH3+] ZINC000038702230 343107527 /nfs/dbraw/zinc/10/75/27/343107527.db2.gz KHBOONIVGUMXEA-JTQLQIEISA-N 2 1 217.316 1.647 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214402 343151092 /nfs/dbraw/zinc/15/10/92/343151092.db2.gz PSQJLECAXLHYHP-BFHYXJOUSA-N 2 1 241.423 1.822 10 0 BDAEMP Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC000165736631 343212259 /nfs/dbraw/zinc/21/22/59/343212259.db2.gz OTWLJISZBWQPIU-HTQZYQBOSA-N 2 1 208.309 1.631 10 0 BDAEMP C[C@H]1[C@@H](N)CCC[N@H+]1C[Si](C)(C)C ZINC000401789852 343241414 /nfs/dbraw/zinc/24/14/14/343241414.db2.gz HSTDCYKXQIAYHB-UWVGGRQHSA-N 2 1 200.402 1.675 10 0 BDAEMP c1ccc(C2CC([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000335641474 136308506 /nfs/dbraw/zinc/30/85/06/136308506.db2.gz GBIZCUVSSUBNPM-ROKHWSDSSA-N 2 1 216.328 1.884 10 0 BDAEMP CCc1nc(NC[C@H]([NH3+])CC)cc(C)[nH+]1 ZINC000308924148 346941885 /nfs/dbraw/zinc/94/18/85/346941885.db2.gz LKSSCLXJANGGIN-SECBINFHSA-N 2 1 208.309 1.497 10 0 BDAEMP CC(C)[N@@H+](CCCO)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] ZINC000042498996 187265846 /nfs/dbraw/zinc/26/58/46/187265846.db2.gz LZKJVCCIPWTQKN-HZSPNIEDSA-N 2 1 242.407 1.843 10 0 BDAEMP C[NH2+]Cc1ccc(N(C)[C@@H]2CCC[N@@H+](C)C2)nc1 ZINC000053249083 187272526 /nfs/dbraw/zinc/27/25/26/187272526.db2.gz QEERCTSCJLBMMA-CYBMUJFWSA-N 2 1 248.374 1.331 10 0 BDAEMP [NH3+]CCC[N@@H+]1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409427990 343802538 /nfs/dbraw/zinc/80/25/38/343802538.db2.gz LNEXUDFHYZDEGV-ZJUUUORDSA-N 2 1 218.291 1.702 10 0 BDAEMP CCOC[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000313284371 343791056 /nfs/dbraw/zinc/79/10/56/343791056.db2.gz FGCHTTMKOQIXHV-ZDUSSCGKSA-N 2 1 226.364 1.629 10 0 BDAEMP CC[NH2+][C@H](C)CNc1cc[nH+]cc1Cl ZINC000387632273 346974785 /nfs/dbraw/zinc/97/47/85/346974785.db2.gz FWALQNISFWOQJS-MRVPVSSYSA-N 2 1 213.712 1.567 10 0 BDAEMP [NH3+]CCC[N@H+]1C[C@@H]2CCC(F)(F)[C@H]2C1 ZINC000409433110 343826604 /nfs/dbraw/zinc/82/66/04/343826604.db2.gz XJCCDWVBOGRTHB-IUCAKERBSA-N 2 1 204.264 1.312 10 0 BDAEMP C1CC[C@H]2[C@@H](C1)COCC[N@H+]2C1CC[NH2+]CC1 ZINC000409435862 343840276 /nfs/dbraw/zinc/84/02/76/343840276.db2.gz WZNDWOSRBJCHED-JSGCOSHPSA-N 2 1 238.375 1.629 10 0 BDAEMP C[C@@H]1SCC[N@@H+](CCC(C)(C)[NH3+])[C@H]1C ZINC000132465665 343929692 /nfs/dbraw/zinc/92/96/92/343929692.db2.gz XPKGBSJKBVHKTI-UWVGGRQHSA-N 2 1 216.394 1.940 10 0 BDAEMP [NH3+]C[C@@](F)(C1CC1)[C@@H]1CCCCC[NH2+]1 ZINC000158411656 344645733 /nfs/dbraw/zinc/64/57/33/344645733.db2.gz YLFVSPRDXFJRMN-WDEREUQCSA-N 2 1 200.301 1.596 10 0 BDAEMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998191 345197171 /nfs/dbraw/zinc/19/71/71/345197171.db2.gz CBHBPTDMESUQOY-KCJUWKMLSA-N 2 1 222.336 1.053 10 0 BDAEMP CC(C)[N@@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000019470373 187313671 /nfs/dbraw/zinc/31/36/71/187313671.db2.gz RBLKPRIGGRVWEZ-UHFFFAOYSA-N 2 1 205.305 1.811 10 0 BDAEMP C[C@@H](C[NH3+])[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000669377556 537964905 /nfs/dbraw/zinc/96/49/05/537964905.db2.gz TUWYQMGBNOMHNA-JSGCOSHPSA-N 2 1 234.343 1.218 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378413 537965881 /nfs/dbraw/zinc/96/58/81/537965881.db2.gz DMZJLPXVXFRWJC-JHJVBQTASA-N 2 1 225.380 1.045 10 0 BDAEMP C[C@H](C[NH3+])[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669377891 537966202 /nfs/dbraw/zinc/96/62/02/537966202.db2.gz ZIQQSXSZORIRHV-HIFRSBDPSA-N 2 1 248.370 1.608 10 0 BDAEMP CC[N@@H+](CC(C)C)C[C@@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378613 537969087 /nfs/dbraw/zinc/96/90/87/537969087.db2.gz JFHFPWIHLQGPPO-OLZOCXBDSA-N 2 1 227.396 1.149 10 0 BDAEMP Cc1cccc(C[N@@H+]2CCC[NH2+][C@H](C)CC2)n1 ZINC000051577667 179074735 /nfs/dbraw/zinc/07/47/35/179074735.db2.gz QCFPSGDCERYOPT-GFCCVEGCSA-N 2 1 233.359 1.964 10 0 BDAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@H](C)CC2)n1 ZINC000051577667 179074738 /nfs/dbraw/zinc/07/47/38/179074738.db2.gz QCFPSGDCERYOPT-GFCCVEGCSA-N 2 1 233.359 1.964 10 0 BDAEMP CC[NH2+]C[C@@H](O)C[N@H+](CC)Cc1ccccc1 ZINC000036950623 347980503 /nfs/dbraw/zinc/98/05/03/347980503.db2.gz DBDVVWLSCAICHK-CQSZACIVSA-N 2 1 236.359 1.479 10 0 BDAEMP CC[NH2+]C[C@@H](O)C[N@@H+](CC)Cc1ccccc1 ZINC000036950623 347980504 /nfs/dbraw/zinc/98/05/04/347980504.db2.gz DBDVVWLSCAICHK-CQSZACIVSA-N 2 1 236.359 1.479 10 0 BDAEMP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCCS2)C1 ZINC000251415984 362872536 /nfs/dbraw/zinc/87/25/36/362872536.db2.gz RPZBZZXKFUFOES-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCCS2)C1 ZINC000251415984 362872547 /nfs/dbraw/zinc/87/25/47/362872547.db2.gz RPZBZZXKFUFOES-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP CC[C@@H]1C[N@H+]([C@@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251753006 362906184 /nfs/dbraw/zinc/90/61/84/362906184.db2.gz LLXDNUWGLUNJEG-GMTAPVOTSA-N 2 1 214.378 1.551 10 0 BDAEMP COCC[N@H+]1CCN(c2cc[nH+]cc2C)C[C@@H]1C ZINC000248663294 349145557 /nfs/dbraw/zinc/14/55/57/349145557.db2.gz JTJPBWYCIRLBSA-ZDUSSCGKSA-N 2 1 249.358 1.547 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000302409595 350087167 /nfs/dbraw/zinc/08/71/67/350087167.db2.gz PKHHFZFDCXZAAV-DGCLKSJQSA-N 2 1 240.391 1.467 10 0 BDAEMP Cc1nc(N2CC[NH+](C)CC2)sc1[C@H](C)[NH3+] ZINC000054864199 180002159 /nfs/dbraw/zinc/00/21/59/180002159.db2.gz NZMXXTOTWRFATG-QMMMGPOBSA-N 2 1 240.376 1.223 10 0 BDAEMP Cc1nc(N2CCC[N@H+](C)CC2)sc1C[NH3+] ZINC000054968943 180002627 /nfs/dbraw/zinc/00/26/27/180002627.db2.gz BNMVEDGVTVUQIU-UHFFFAOYSA-N 2 1 240.376 1.052 10 0 BDAEMP C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000218353909 350090343 /nfs/dbraw/zinc/09/03/43/350090343.db2.gz VYCJCYWDYQWLCA-WCQYABFASA-N 2 1 204.317 1.651 10 0 BDAEMP C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000218353909 350090345 /nfs/dbraw/zinc/09/03/45/350090345.db2.gz VYCJCYWDYQWLCA-WCQYABFASA-N 2 1 204.317 1.651 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352659181 180238141 /nfs/dbraw/zinc/23/81/41/180238141.db2.gz MFDSAXNPFKBGAP-STQMWFEESA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352659181 180238145 /nfs/dbraw/zinc/23/81/45/180238145.db2.gz MFDSAXNPFKBGAP-STQMWFEESA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCOc1cccc(C(N)=[NH2+])c1 ZINC000049330665 180262859 /nfs/dbraw/zinc/26/28/59/180262859.db2.gz AYXJNLQDXNKFSE-UHFFFAOYSA-N 2 1 244.298 1.555 10 0 BDAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1cccs1 ZINC000043107019 180271942 /nfs/dbraw/zinc/27/19/42/180271942.db2.gz GTBPPOFBUWIDLH-SECBINFHSA-N 2 1 207.302 1.801 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042973151 180272196 /nfs/dbraw/zinc/27/21/96/180272196.db2.gz FFISGXSVGLNHLX-LBPRGKRZSA-N 2 1 219.263 1.879 10 0 BDAEMP Cc1[nH+]cn(Cc2csc(C[NH3+])n2)c1C ZINC000052593586 180288691 /nfs/dbraw/zinc/28/86/91/180288691.db2.gz RGENTHXIJGSJDG-UHFFFAOYSA-N 2 1 222.317 1.463 10 0 BDAEMP Cc1[nH+]cn([C@H](c2cnn(C)c2)[C@H](C)[NH3+])c1C ZINC000051925764 180289937 /nfs/dbraw/zinc/28/99/37/180289937.db2.gz LVJAJKGQJFBQTJ-UFBFGSQYSA-N 2 1 233.319 1.170 10 0 BDAEMP C[C@@H]1CSC(NC[C@@H]2CCC[N@@H+]2C)=[NH+]1 ZINC000226117872 350400840 /nfs/dbraw/zinc/40/08/40/350400840.db2.gz VOFXVTQOBKFTKR-BDAKNGLRSA-N 2 1 213.350 1.162 10 0 BDAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1C/C=C/Cl ZINC000252556876 350913268 /nfs/dbraw/zinc/91/32/68/350913268.db2.gz MARYJQRKVKWCEV-HSVGSZACSA-N 2 1 200.713 1.279 10 0 BDAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C/C=C/Cl ZINC000252556876 350913272 /nfs/dbraw/zinc/91/32/72/350913272.db2.gz MARYJQRKVKWCEV-HSVGSZACSA-N 2 1 200.713 1.279 10 0 BDAEMP C[N@@H+](C1CC([NH3+])C1)[C@@H]1CCCSC1 ZINC000306744069 350932948 /nfs/dbraw/zinc/93/29/48/350932948.db2.gz HZZFRSVYWBVKKX-HWOCKDDLSA-N 2 1 200.351 1.304 10 0 BDAEMP FC1(F)CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000306719925 350880626 /nfs/dbraw/zinc/88/06/26/350880626.db2.gz YUBIZBSUHCJMJC-IUCAKERBSA-N 2 1 204.264 1.516 10 0 BDAEMP C[C@H]1C[C@@H](NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000306830932 351145522 /nfs/dbraw/zinc/14/55/22/351145522.db2.gz LXXPHOVTEDRCFA-AAEUAGOBSA-N 2 1 246.358 1.523 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+](C)C2CC([NH3+])C2)CS1 ZINC000306853347 351177024 /nfs/dbraw/zinc/17/70/24/351177024.db2.gz SYVQMYCJBYLBMU-WOOKNIGNSA-N 2 1 200.351 1.302 10 0 BDAEMP [NH3+]CCN1C[C@@H](c2[nH]cc[nH+]2)Cc2ccccc21 ZINC000616673093 351240502 /nfs/dbraw/zinc/24/05/02/351240502.db2.gz VDAWYRUOOUSOSK-LBPRGKRZSA-N 2 1 242.326 1.515 10 0 BDAEMP [NH3+]CCN1CC[C@H](c2[nH]cc[nH+]2)c2ccccc21 ZINC000616676423 351241071 /nfs/dbraw/zinc/24/10/71/351241071.db2.gz VRUFIRKRPVXHMK-LBPRGKRZSA-N 2 1 242.326 1.710 10 0 BDAEMP N[C@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616662267 351217513 /nfs/dbraw/zinc/21/75/13/351217513.db2.gz FTKCJNPLAALKOC-GFCCVEGCSA-N 2 1 206.289 1.194 10 0 BDAEMP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000034958054 351363887 /nfs/dbraw/zinc/36/38/87/351363887.db2.gz QTVBTQPQRIRMOY-HUUCEWRRSA-N 2 1 248.370 1.872 10 0 BDAEMP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000034958054 351363889 /nfs/dbraw/zinc/36/38/89/351363889.db2.gz QTVBTQPQRIRMOY-HUUCEWRRSA-N 2 1 248.370 1.872 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000307021014 351428548 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ZINC000300352631 358971490 /nfs/dbraw/zinc/97/14/90/358971490.db2.gz NQUUWWUYQZIXLO-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 ZINC000300352631 358971494 /nfs/dbraw/zinc/97/14/94/358971494.db2.gz NQUUWWUYQZIXLO-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578348082 366530494 /nfs/dbraw/zinc/53/04/94/366530494.db2.gz GSWCFEMLRNJRLZ-QWHCGFSZSA-N 3 1 239.407 1.448 10 0 BDAEMP C[C@@H]([NH3+])CCNc1[nH+]c2ccccc2n1C ZINC000070609144 359059718 /nfs/dbraw/zinc/05/97/18/359059718.db2.gz NIKUBJXBRXDNQI-SECBINFHSA-N 2 1 218.304 1.723 10 0 BDAEMP C[C@H]1CSC[C@@H]1[N@H+]1CCC[NH2+]CC1 ZINC000306229949 359364088 /nfs/dbraw/zinc/36/40/88/359364088.db2.gz KHFQOBTXQCZNFE-UWVGGRQHSA-N 2 1 200.351 1.033 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H]1COC(C)(C)[C@@H]1[NH3+] ZINC000306248676 359445729 /nfs/dbraw/zinc/44/57/29/359445729.db2.gz XQUAPWNUMWQDMK-VHSXEESVSA-N 2 1 200.326 1.079 10 0 BDAEMP COC(C)(C)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000306450349 360021213 /nfs/dbraw/zinc/02/12/13/360021213.db2.gz ZCXPJERVLPPANN-SNVBAGLBSA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@H](C[NH3+])[C@H](C)[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000306559154 360433961 /nfs/dbraw/zinc/43/39/61/360433961.db2.gz QGMQIIBOYBLJFM-RCWTZXSCSA-N 2 1 200.326 1.079 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000306584517 360482475 /nfs/dbraw/zinc/48/24/75/360482475.db2.gz QCNMWDALQYRLHX-UTLUCORTSA-N 2 1 200.351 1.080 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1cc(F)c(F)cc1F ZINC000306583231 360482491 /nfs/dbraw/zinc/48/24/91/360482491.db2.gz PNZOTBRRORYSCV-SECBINFHSA-N 2 1 204.195 1.453 10 0 BDAEMP C[C@H](CC[NH2+]CCO)[N@@H+](C)Cc1ccccc1 ZINC000306584030 360483353 /nfs/dbraw/zinc/48/33/53/360483353.db2.gz FXNIQOJUKLXVBW-CYBMUJFWSA-N 2 1 236.359 1.479 10 0 BDAEMP CC[C@](C)([C@@H](C)[NH3+])[N@H+]1CCSC[C@@H]1C ZINC000306602764 360529133 /nfs/dbraw/zinc/52/91/33/360529133.db2.gz WJHPXLCMENZPCW-HBNTYKKESA-N 2 1 216.394 1.940 10 0 BDAEMP CSC1CC[NH+]([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000300838961 360532132 /nfs/dbraw/zinc/53/21/32/360532132.db2.gz LUVICCCHZDZAKD-GHMZBOCLSA-N 2 1 214.378 1.694 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccsc1 ZINC000069796913 360557224 /nfs/dbraw/zinc/55/72/24/360557224.db2.gz JPAAFNYKOJPTRZ-KOLCDFICSA-N 2 1 210.346 1.960 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccsc1 ZINC000069796913 360557228 /nfs/dbraw/zinc/55/72/28/360557228.db2.gz JPAAFNYKOJPTRZ-KOLCDFICSA-N 2 1 210.346 1.960 10 0 BDAEMP CC[C@@]1(C)C[C@@](C[NH3+])([NH+](C)C)CCO1 ZINC000069892050 360950515 /nfs/dbraw/zinc/95/05/15/360950515.db2.gz XUDITFYYXMTPIK-QWRGUYRKSA-N 2 1 200.326 1.225 10 0 BDAEMP [NH3+]C1CCC([N@H+]2CCCSCC2)CC1 ZINC000055144482 181341665 /nfs/dbraw/zinc/34/16/65/181341665.db2.gz FSKVVIPMWYFOAN-UHFFFAOYSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@@H]1CC[C@](C[NH3+])([NH+]2CCSCC2)C1 ZINC000070644400 361693794 /nfs/dbraw/zinc/69/37/94/361693794.db2.gz QNFJCSZIWXHTKP-MNOVXSKESA-N 2 1 214.378 1.553 10 0 BDAEMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1CCOCC1 ZINC000155811719 201352529 /nfs/dbraw/zinc/35/25/29/201352529.db2.gz YGGNFSHXLYHGMU-LBPRGKRZSA-N 2 1 228.380 1.733 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1CCOCC1 ZINC000155811719 201352532 /nfs/dbraw/zinc/35/25/32/201352532.db2.gz YGGNFSHXLYHGMU-LBPRGKRZSA-N 2 1 228.380 1.733 10 0 BDAEMP C=Cc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])cc1 ZINC000725241576 541329987 /nfs/dbraw/zinc/32/99/87/541329987.db2.gz ZSGISOJMFBOCIA-STQMWFEESA-N 2 1 202.301 1.734 10 0 BDAEMP CO[C@H]1C[N@@H+](CCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630369877 364087689 /nfs/dbraw/zinc/08/76/89/364087689.db2.gz XGHBHAXXZSOAJS-CHWSQXEVSA-N 2 1 226.364 1.615 10 0 BDAEMP CO[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)[C@](C)(C[NH3+])C1 ZINC000630370334 364088142 /nfs/dbraw/zinc/08/81/42/364088142.db2.gz ZGPPRPCOVIKDLK-BJDJZHNGSA-N 2 1 212.337 1.081 10 0 BDAEMP C[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]cc1Cl ZINC000630545296 364240453 /nfs/dbraw/zinc/24/04/53/364240453.db2.gz JWMBLMKMIVSUMK-IONNQARKSA-N 2 1 211.696 1.319 10 0 BDAEMP C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@@H]1C[NH3+] ZINC000630572297 364268613 /nfs/dbraw/zinc/26/86/13/364268613.db2.gz QXXGZNOFFAWRHK-BDAKNGLRSA-N 2 1 225.723 1.766 10 0 BDAEMP Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)nc(C)[nH+]1 ZINC000630533340 364224859 /nfs/dbraw/zinc/22/48/59/364224859.db2.gz CDAJVRXHSPRHFR-GZMMTYOYSA-N 2 1 220.320 1.646 10 0 BDAEMP [NH3+]CCCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000037039972 181376535 /nfs/dbraw/zinc/37/65/35/181376535.db2.gz DFZGBPYUAHGRMG-UHFFFAOYSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CCCC[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000037039972 181376537 /nfs/dbraw/zinc/37/65/37/181376537.db2.gz DFZGBPYUAHGRMG-UHFFFAOYSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CCCC[N@H+]1CCCN(C2CCCC2)CC1 ZINC000037039972 181376538 /nfs/dbraw/zinc/37/65/38/181376538.db2.gz DFZGBPYUAHGRMG-UHFFFAOYSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CC[NH2+]Cc1ccc2ccccc2c1 ZINC000038315919 181397941 /nfs/dbraw/zinc/39/79/41/181397941.db2.gz RLFAMUCYODOFTP-UHFFFAOYSA-N 2 1 200.285 1.888 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000380758787 367298986 /nfs/dbraw/zinc/29/89/86/367298986.db2.gz VRFWMHBJEQRHDB-OLZOCXBDSA-N 2 1 227.396 1.447 10 0 BDAEMP C[C@@H]1SCC[N@H+](CC(C)(C)[NH3+])[C@H]1C ZINC000252978331 368176629 /nfs/dbraw/zinc/17/66/29/368176629.db2.gz BIALTCZHXRCAKJ-IUCAKERBSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1SCC[N@@H+](CC(C)(C)[NH3+])[C@H]1C ZINC000252978331 368176635 /nfs/dbraw/zinc/17/66/35/368176635.db2.gz BIALTCZHXRCAKJ-IUCAKERBSA-N 2 1 202.367 1.550 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000253085327 368474062 /nfs/dbraw/zinc/47/40/62/368474062.db2.gz ZNLJMYFZEXLFML-HBNTYKKESA-N 2 1 216.394 1.796 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000253085327 368474066 /nfs/dbraw/zinc/47/40/66/368474066.db2.gz ZNLJMYFZEXLFML-HBNTYKKESA-N 2 1 216.394 1.796 10 0 BDAEMP CC(C)COCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838666 369120236 /nfs/dbraw/zinc/12/02/36/369120236.db2.gz SMWIZYVRIVSOGD-NWDGAFQWSA-N 2 1 214.353 1.186 10 0 BDAEMP C[C@@H](CO)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230030924 371638737 /nfs/dbraw/zinc/63/87/37/371638737.db2.gz RTSBJNNOTCUGRS-CYBMUJFWSA-N 2 1 236.359 1.466 10 0 BDAEMP C[C@H](C[NH3+])C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226666451 371719187 /nfs/dbraw/zinc/71/91/87/371719187.db2.gz KMWLBKCETIWCFR-BBBLOLIVSA-N 2 1 202.367 1.407 10 0 BDAEMP C[C@H]1SCC[N@@H+](C(C)(C)C[NH3+])[C@H]1C ZINC000132278876 371783001 /nfs/dbraw/zinc/78/30/01/371783001.db2.gz HQSOOBURSONAAK-DTWKUNHWSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H]1SCC[N@H+](C(C)(C)C[NH3+])[C@H]1C ZINC000132278876 371783007 /nfs/dbraw/zinc/78/30/07/371783007.db2.gz HQSOOBURSONAAK-DTWKUNHWSA-N 2 1 202.367 1.550 10 0 BDAEMP CC1(C)CS[C@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 ZINC000307655610 372135462 /nfs/dbraw/zinc/13/54/62/372135462.db2.gz XIMPMHRRTNVTKK-PSASIEDQSA-N 2 1 200.351 1.427 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000631836983 372624377 /nfs/dbraw/zinc/62/43/77/372624377.db2.gz KXOMWVKWTPKPHC-LBELIVKGSA-N 2 1 208.349 1.559 10 0 BDAEMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C[NH3+] ZINC000631836600 372625545 /nfs/dbraw/zinc/62/55/45/372625545.db2.gz CJXHFGCPMNXMFA-CMPLNLGQSA-N 2 1 210.365 1.949 10 0 BDAEMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837068 372627231 /nfs/dbraw/zinc/62/72/31/372627231.db2.gz MJSHGBRMLQLKPE-MFKMUULPSA-N 2 1 236.363 1.027 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCCF)C[C@H]1C[NH3+] ZINC000631838485 372631660 /nfs/dbraw/zinc/63/16/60/372631660.db2.gz PFPMQWALAUBUAM-WDEREUQCSA-N 2 1 202.317 1.653 10 0 BDAEMP C[C@@H]1CSCC[N@@H+]1CC1([NH3+])CCCC1 ZINC000069762540 373730285 /nfs/dbraw/zinc/73/02/85/373730285.db2.gz JAYRRGARYDEMMP-SNVBAGLBSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1CC1([NH3+])CCCC1 ZINC000069762540 373730294 /nfs/dbraw/zinc/73/02/94/373730294.db2.gz JAYRRGARYDEMMP-SNVBAGLBSA-N 2 1 214.378 1.695 10 0 BDAEMP CCCN1CC[NH+](CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764208 169203133 /nfs/dbraw/zinc/20/31/33/169203133.db2.gz MTQJDXMHBSYGQJ-CQSZACIVSA-N 2 1 239.407 1.546 10 0 BDAEMP CCC[NH2+]CC(C)(C)CN1CCC[N@@H+](C)CC1 ZINC000051213747 169255277 /nfs/dbraw/zinc/25/52/77/169255277.db2.gz MXJPDGQNKSOWQX-UHFFFAOYSA-N 2 1 241.423 1.650 10 0 BDAEMP CCC[NH2+]C[C@@H]1CCCN1c1[nH+]ccn1CC ZINC000053693581 169262705 /nfs/dbraw/zinc/26/27/05/169262705.db2.gz GJLMPYILQTVBCF-LBPRGKRZSA-N 2 1 236.363 1.871 10 0 BDAEMP CCC[NH2+]C[C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000053031553 169264648 /nfs/dbraw/zinc/26/46/48/169264648.db2.gz RWKNWISHXYYHHB-ZIAGYGMSSA-N 2 1 239.407 1.402 10 0 BDAEMP CCC[NH2+]Cc1c[nH]c(CC[NH+](CC)CC)n1 ZINC000062821149 169265951 /nfs/dbraw/zinc/26/59/51/169265951.db2.gz JRUBDNCLWZLQLB-UHFFFAOYSA-N 2 1 238.379 1.794 10 0 BDAEMP c1ccc(C[N@@H+]2CC[NH2+]CC3(CC3)C2)cc1 ZINC000084483404 183398390 /nfs/dbraw/zinc/39/83/90/183398390.db2.gz ZLTPKDSTVSITCU-UHFFFAOYSA-N 2 1 216.328 1.872 10 0 BDAEMP c1ccc(C[N@H+]2CC[NH2+]CC3(CC3)C2)cc1 ZINC000084483404 183398393 /nfs/dbraw/zinc/39/83/93/183398393.db2.gz ZLTPKDSTVSITCU-UHFFFAOYSA-N 2 1 216.328 1.872 10 0 BDAEMP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1CC(C)(C)O ZINC000104407830 169276437 /nfs/dbraw/zinc/27/64/37/169276437.db2.gz PNEKZLJGUHRLJJ-QWHCGFSZSA-N 2 1 242.407 2.000 10 0 BDAEMP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1CC(C)(C)O ZINC000104407830 169276439 /nfs/dbraw/zinc/27/64/39/169276439.db2.gz PNEKZLJGUHRLJJ-QWHCGFSZSA-N 2 1 242.407 2.000 10 0 BDAEMP CCC[NH2+][C@@H](CC)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000104135876 169277691 /nfs/dbraw/zinc/27/76/91/169277691.db2.gz MVHZJQQFHFZVBS-KGLIPLIRSA-N 2 1 241.423 1.791 10 0 BDAEMP CN(CCOCC[NH3+])c1cc[nH+]cc1Cl ZINC000301051640 383881462 /nfs/dbraw/zinc/88/14/62/383881462.db2.gz USFZPCMZLHTHCV-UHFFFAOYSA-N 2 1 229.711 1.147 10 0 BDAEMP Cc1cc[nH+]c(N(C)C[C@H]2CCC[NH2+]C2)c1 ZINC000095071081 384338786 /nfs/dbraw/zinc/33/87/86/384338786.db2.gz XYZONIOFSLANNJ-LBPRGKRZSA-N 2 1 219.332 1.826 10 0 BDAEMP CN(C)C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095074244 384351513 /nfs/dbraw/zinc/35/15/13/384351513.db2.gz RHNZVCBQHIJIPJ-CABCVRRESA-N 2 1 248.370 1.431 10 0 BDAEMP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095074244 384351516 /nfs/dbraw/zinc/35/15/16/384351516.db2.gz RHNZVCBQHIJIPJ-CABCVRRESA-N 2 1 248.370 1.431 10 0 BDAEMP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095074244 384351519 /nfs/dbraw/zinc/35/15/19/384351519.db2.gz RHNZVCBQHIJIPJ-CABCVRRESA-N 2 1 248.370 1.431 10 0 BDAEMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCSC1)C2 ZINC000308829965 384329438 /nfs/dbraw/zinc/32/94/38/384329438.db2.gz ADJQVXZANAYDDZ-IUCAKERBSA-N 2 1 223.345 1.362 10 0 BDAEMP C[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085631468 384550788 /nfs/dbraw/zinc/55/07/88/384550788.db2.gz PRBOWUVBAUMWGV-AVGNSLFASA-N 2 1 238.375 1.484 10 0 BDAEMP Cn1cc([C@H]2CC[N@@H+](CCn3ccnc3)C2)cn1 ZINC000163043928 384725825 /nfs/dbraw/zinc/72/58/25/384725825.db2.gz DYGJFTRQLKDTAA-LBPRGKRZSA-N 2 1 245.330 1.106 10 0 BDAEMP C[N@@H+](Cc1ccncc1)C[C@@H]1CC[NH2+]C1 ZINC000051889953 384700694 /nfs/dbraw/zinc/70/06/94/384700694.db2.gz YBQGKZRRHLEIHW-GFCCVEGCSA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+](Cc1ccncc1)C[C@@H]1CC[NH2+]C1 ZINC000051889953 384700702 /nfs/dbraw/zinc/70/07/02/384700702.db2.gz YBQGKZRRHLEIHW-GFCCVEGCSA-N 2 1 205.305 1.123 10 0 BDAEMP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310321995 384776087 /nfs/dbraw/zinc/77/60/87/384776087.db2.gz XHTBYEVWSVDMIH-NQBHXWOUSA-N 2 1 234.347 1.454 10 0 BDAEMP C[C@H](c1cnccn1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310321995 384776091 /nfs/dbraw/zinc/77/60/91/384776091.db2.gz XHTBYEVWSVDMIH-NQBHXWOUSA-N 2 1 234.347 1.454 10 0 BDAEMP CCOC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000375840489 384823762 /nfs/dbraw/zinc/82/37/62/384823762.db2.gz LOSFSMVIQHWXOQ-GHMZBOCLSA-N 2 1 223.320 1.213 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccns3)C[C@@H]12 ZINC000404506808 385023633 /nfs/dbraw/zinc/02/36/33/385023633.db2.gz MUHKJPXLTMLZNC-JMJZKYOTSA-N 2 1 223.345 1.312 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccns3)C[C@@H]12 ZINC000404506808 385023635 /nfs/dbraw/zinc/02/36/35/385023635.db2.gz MUHKJPXLTMLZNC-JMJZKYOTSA-N 2 1 223.345 1.312 10 0 BDAEMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000309134068 385428109 /nfs/dbraw/zinc/42/81/09/385428109.db2.gz RQYUVELDEMKLJB-KXUCPTDWSA-N 2 1 205.305 1.513 10 0 BDAEMP C[C@@H]1C[C@]2(CC[N@H+]1C)[NH2+]C(C)(C)CS2 ZINC000156990611 385479800 /nfs/dbraw/zinc/47/98/00/385479800.db2.gz MVMGRQSXKKYAPO-MWLCHTKSSA-N 2 1 214.378 1.912 10 0 BDAEMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCSC1)CC2 ZINC000309594581 385717659 /nfs/dbraw/zinc/71/76/59/385717659.db2.gz HZUZXMFMUXGTHH-GHMZBOCLSA-N 2 1 237.372 1.541 10 0 BDAEMP Cc1c(C[NH2+]C[C@H](C)C[NH+](C)C)cnn1C ZINC000291799950 385716719 /nfs/dbraw/zinc/71/67/19/385716719.db2.gz XDBOCNTWAIRDBN-JTQLQIEISA-N 2 1 224.352 1.016 10 0 BDAEMP CN(c1cc[nH+]cc1Cl)C1CC([NH3+])C1 ZINC000307621224 385735686 /nfs/dbraw/zinc/73/56/86/385735686.db2.gz GDAASTQKEGTEDN-UHFFFAOYSA-N 2 1 211.696 1.661 10 0 BDAEMP [NH3+][C@]1(C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000575558068 385998590 /nfs/dbraw/zinc/99/85/90/385998590.db2.gz BEPUHVWLJSLTAU-CQSZACIVSA-N 2 1 216.328 2.000 10 0 BDAEMP [NH3+][C@]1(C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000575558068 385998593 /nfs/dbraw/zinc/99/85/93/385998593.db2.gz BEPUHVWLJSLTAU-CQSZACIVSA-N 2 1 216.328 2.000 10 0 BDAEMP C[C@H](CCCC[NH3+])[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000336729948 386152818 /nfs/dbraw/zinc/15/28/18/386152818.db2.gz XRNUYJLUGSEBNK-SNVBAGLBSA-N 2 1 232.331 1.914 10 0 BDAEMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@H](C)O)CC1 ZINC000414702090 386207032 /nfs/dbraw/zinc/20/70/32/386207032.db2.gz WWLXLNZSXFCSDW-WCQYABFASA-N 2 1 228.380 1.453 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000647971253 386510917 /nfs/dbraw/zinc/51/09/17/386510917.db2.gz ZZPQGPAXYNTFFL-MELADBBJSA-N 2 1 240.391 1.421 10 0 BDAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC=C(Br)C2)C1 ZINC000575451483 386800107 /nfs/dbraw/zinc/80/01/07/386800107.db2.gz FATUMCOIPWYBPY-WAAGHKOSSA-N 2 1 245.164 1.708 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCSC1 ZINC000575588314 387183905 /nfs/dbraw/zinc/18/39/05/387183905.db2.gz AJDDXYGNDHXMGQ-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCSC1 ZINC000575588314 387183910 /nfs/dbraw/zinc/18/39/10/387183910.db2.gz AJDDXYGNDHXMGQ-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@@]1(C[NH3+])CS[C@H](C)C1 ZINC000575590688 387204233 /nfs/dbraw/zinc/20/42/33/387204233.db2.gz KYWVUOFXVXKBDF-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CS[C@H](C)C1 ZINC000575590688 387204236 /nfs/dbraw/zinc/20/42/36/387204236.db2.gz KYWVUOFXVXKBDF-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[NH+](C/C=C/Cl)C[C@H](C)C1[NH3+] ZINC000575526843 387530787 /nfs/dbraw/zinc/53/07/87/387530787.db2.gz ZSEOENUUHBVPGT-FBFNWGNUSA-N 2 1 202.729 1.654 10 0 BDAEMP CC[N@H+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422743032 387689065 /nfs/dbraw/zinc/68/90/65/387689065.db2.gz STODBIXONWTGDV-WJLOJVBCSA-N 2 1 237.391 1.343 10 0 BDAEMP CCN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422743032 387689071 /nfs/dbraw/zinc/68/90/71/387689071.db2.gz STODBIXONWTGDV-WJLOJVBCSA-N 2 1 237.391 1.343 10 0 BDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCF)CC1 ZINC000128522775 387750910 /nfs/dbraw/zinc/75/09/10/387750910.db2.gz MHMIYYZRKYKYQM-GFCCVEGCSA-N 2 1 246.370 1.371 10 0 BDAEMP COc1ccncc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423130686 387908235 /nfs/dbraw/zinc/90/82/35/387908235.db2.gz NCQNTXRGNNIULT-LBPRGKRZSA-N 2 1 235.331 1.322 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CC[N@@H+]1C ZINC000247962706 388672182 /nfs/dbraw/zinc/67/21/82/388672182.db2.gz GJTYHAYZPGVWJW-SYQHCUMBSA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CC[N@H+]1C ZINC000247962706 388672184 /nfs/dbraw/zinc/67/21/84/388672184.db2.gz GJTYHAYZPGVWJW-SYQHCUMBSA-N 2 1 240.391 1.610 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247074369 388658723 /nfs/dbraw/zinc/65/87/23/388658723.db2.gz OLWBVTNXHCLUPO-RDBSUJKOSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000247074369 388658725 /nfs/dbraw/zinc/65/87/25/388658725.db2.gz OLWBVTNXHCLUPO-RDBSUJKOSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247074369 388658727 /nfs/dbraw/zinc/65/87/27/388658727.db2.gz OLWBVTNXHCLUPO-RDBSUJKOSA-N 2 1 239.407 1.543 10 0 BDAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CCCSCC2)C1 ZINC000575486452 388871693 /nfs/dbraw/zinc/87/16/93/388871693.db2.gz WNAURNKFJIIBCM-MGCOHNPYSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H](O)C1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000575471090 388847269 /nfs/dbraw/zinc/84/72/69/388847269.db2.gz XLRRAOCCSFEXDP-LBPRGKRZSA-N 2 1 234.343 1.361 10 0 BDAEMP [NH3+][C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000575471504 388850504 /nfs/dbraw/zinc/85/05/04/388850504.db2.gz AJNRCPPSJUFWFV-LSDHHAIUSA-N 2 1 246.354 1.769 10 0 BDAEMP C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000037670336 132344974 /nfs/dbraw/zinc/34/49/74/132344974.db2.gz VSCKSENNMAXSKH-UHFFFAOYSA-N 2 1 205.305 1.578 10 0 BDAEMP Cc1cccc(N2CCC(C[NH3+])CC2)[nH+]1 ZINC000044514867 132224992 /nfs/dbraw/zinc/22/49/92/132224992.db2.gz UUGYSBGLUABHRM-UHFFFAOYSA-N 2 1 205.305 1.565 10 0 BDAEMP C[NH2+]C[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000040601883 132348286 /nfs/dbraw/zinc/34/82/86/132348286.db2.gz RIYJCFBKCZIFSC-LBPRGKRZSA-N 2 1 219.332 1.826 10 0 BDAEMP Cc1cc[nH+]c(N2CCC(CC[NH3+])CC2)c1 ZINC000053705866 132363338 /nfs/dbraw/zinc/36/33/38/132363338.db2.gz GCBBMXLSHIDMRP-UHFFFAOYSA-N 2 1 219.332 1.955 10 0 BDAEMP Cc1cccc(N[C@@H]2CC[C@H](C[NH3+])C2)[nH+]1 ZINC000257666496 135138490 /nfs/dbraw/zinc/13/84/90/135138490.db2.gz ZFFMABKYAPAYGZ-WDEREUQCSA-N 2 1 205.305 1.929 10 0 BDAEMP CC[N@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000261540602 135180003 /nfs/dbraw/zinc/18/00/03/135180003.db2.gz GMXIMDIDLMALRQ-CYBMUJFWSA-N 2 1 234.347 1.441 10 0 BDAEMP CC[N@@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000261540602 135180004 /nfs/dbraw/zinc/18/00/04/135180004.db2.gz GMXIMDIDLMALRQ-CYBMUJFWSA-N 2 1 234.347 1.441 10 0 BDAEMP Cc1ccn(C2CC[NH+](CC(C)(C)[NH3+])CC2)n1 ZINC000261861140 135258173 /nfs/dbraw/zinc/25/81/73/135258173.db2.gz UIKYLCQPETXFMK-UHFFFAOYSA-N 2 1 236.363 1.566 10 0 BDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000263115271 135333900 /nfs/dbraw/zinc/33/39/00/135333900.db2.gz AOVCZRIRURLUOB-JQWIXIFHSA-N 2 1 240.734 1.010 10 0 BDAEMP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000348185635 136044563 /nfs/dbraw/zinc/04/45/63/136044563.db2.gz BWICRPDCUDVSFF-SRVKXCTJSA-N 2 1 212.337 1.238 10 0 BDAEMP C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000348185634 136044759 /nfs/dbraw/zinc/04/47/59/136044759.db2.gz BWICRPDCUDVSFF-SDDRHHMPSA-N 2 1 212.337 1.238 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1[C@H]1CCS[C@H]1C ZINC000575592405 397991022 /nfs/dbraw/zinc/99/10/22/397991022.db2.gz RLPISWKGEPOMSZ-QEYWKRMJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1[C@H]1CCS[C@H]1C ZINC000575592405 397991027 /nfs/dbraw/zinc/99/10/27/397991027.db2.gz RLPISWKGEPOMSZ-QEYWKRMJSA-N 2 1 200.351 1.302 10 0 BDAEMP Cc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)nc(C)[nH+]1 ZINC000389728375 398130061 /nfs/dbraw/zinc/13/00/61/398130061.db2.gz NEPGBZHGALZVRF-LDYMZIIASA-N 2 1 220.320 1.503 10 0 BDAEMP CC(C)C[NH2+]CCCC[N@H+]1CCN(C)[C@H](C)C1 ZINC000104132400 167003658 /nfs/dbraw/zinc/00/36/58/167003658.db2.gz WZXNHWZXDWPDQU-CQSZACIVSA-N 2 1 241.423 1.648 10 0 BDAEMP CC(C)[NH2+]C[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000052424089 167112892 /nfs/dbraw/zinc/11/28/92/167112892.db2.gz ZXYXCOBFEXEGIW-LBPRGKRZSA-N 2 1 213.369 1.010 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)[C@@H]1C ZINC000381045489 411284213 /nfs/dbraw/zinc/28/42/13/411284213.db2.gz DCXPWKYKDLBHHM-WZRBSPASSA-N 2 1 226.364 1.077 10 0 BDAEMP CN(C)c1nc(NCC2([NH3+])CCCC2)cc[nH+]1 ZINC000656610406 411308728 /nfs/dbraw/zinc/30/87/28/411308728.db2.gz DHVPHPWRLFUTQH-UHFFFAOYSA-N 2 1 235.335 1.226 10 0 BDAEMP CC[N@H+]1CC[C@@H](C[NH2+]CCCn2ccnc2)C1 ZINC000049327985 170007665 /nfs/dbraw/zinc/00/76/65/170007665.db2.gz OUQUVEQPWYXYHK-ZDUSSCGKSA-N 2 1 236.363 1.205 10 0 BDAEMP CC[N@H+]1CC[C@@H](CNc2cc[nH+]cc2)C1 ZINC000037484460 170009793 /nfs/dbraw/zinc/00/97/93/170009793.db2.gz WALQZMUINKBDNS-NSHDSACASA-N 2 1 205.305 1.835 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+]CCn2ccnc2C)C1 ZINC000049330179 170015790 /nfs/dbraw/zinc/01/57/90/170015790.db2.gz DLVDKBDZMWSVJV-CYBMUJFWSA-N 2 1 236.363 1.123 10 0 BDAEMP CC[N@@H+]1CC[C@H](C[NH2+]CCn2cc[nH+]c2C)C1 ZINC000049330179 170015791 /nfs/dbraw/zinc/01/57/91/170015791.db2.gz DLVDKBDZMWSVJV-CYBMUJFWSA-N 3 1 236.363 1.123 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+]CCn2cc[nH+]c2C)C1 ZINC000049330179 170015792 /nfs/dbraw/zinc/01/57/92/170015792.db2.gz DLVDKBDZMWSVJV-CYBMUJFWSA-N 3 1 236.363 1.123 10 0 BDAEMP CCNC(=O)C[N@H+](CC)Cc1ccccc1C[NH3+] ZINC000037757651 170057728 /nfs/dbraw/zinc/05/77/28/170057728.db2.gz XTMRFKOSYVWHBG-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCNC(=O)C[N@@H+](CC)Cc1ccccc1C[NH3+] ZINC000037757651 170057729 /nfs/dbraw/zinc/05/77/29/170057729.db2.gz XTMRFKOSYVWHBG-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CC[NH2+]C1CC[NH+]([C@H](C)[C@H]2CCCO2)CC1 ZINC000035735970 170109722 /nfs/dbraw/zinc/10/97/22/170109722.db2.gz KYKGSAUACLDJBE-DGCLKSJQSA-N 2 1 226.364 1.628 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)Cn2ccnc2)C1 ZINC000053031994 170119993 /nfs/dbraw/zinc/11/99/93/170119993.db2.gz NOMPMXMQCJAMGM-STQMWFEESA-N 2 1 236.363 1.203 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000053031284 170120018 /nfs/dbraw/zinc/12/00/18/170120018.db2.gz CFBJVFNBPHUQQR-NSHDSACASA-N 2 1 212.337 1.097 10 0 BDAEMP CC[NH2+]C[C@@H]1CCCCN1c1[nH+]ccn1CC ZINC000053698432 170120269 /nfs/dbraw/zinc/12/02/69/170120269.db2.gz KPJBFRPUXJAWCI-LBPRGKRZSA-N 2 1 236.363 1.871 10 0 BDAEMP CC[NH2+]Cc1cc(-n2cc[nH+]c2CC)ccn1 ZINC000051518015 170124762 /nfs/dbraw/zinc/12/47/62/170124762.db2.gz QZWVIUPBYDNMQV-UHFFFAOYSA-N 2 1 230.315 1.939 10 0 BDAEMP CC[NH2+]Cc1cc2c(s1)CC[N@H+](C)C2 ZINC000045206001 170126901 /nfs/dbraw/zinc/12/69/01/170126901.db2.gz BPJNPJUFYIDPEM-UHFFFAOYSA-N 2 1 210.346 1.846 10 0 BDAEMP CC[NH2+]Cc1cc2c(s1)CC[N@@H+](C)C2 ZINC000045206001 170126903 /nfs/dbraw/zinc/12/69/03/170126903.db2.gz BPJNPJUFYIDPEM-UHFFFAOYSA-N 2 1 210.346 1.846 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@H]1CN1CCC[N@@H+](C)CC1 ZINC000053863879 170151182 /nfs/dbraw/zinc/15/11/82/170151182.db2.gz LZTIQRWRVUESEI-UONOGXRCSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[NH2+][C@H](CC[N@H+](CC)C1CCCC1)C(N)=O ZINC000062448468 170161323 /nfs/dbraw/zinc/16/13/23/170161323.db2.gz UEBSJCRBQNTGAN-GFCCVEGCSA-N 2 1 241.379 1.104 10 0 BDAEMP CC[NH2+][C@H](CC[N@@H+](CC)C1CCCC1)C(N)=O ZINC000062448468 170161324 /nfs/dbraw/zinc/16/13/24/170161324.db2.gz UEBSJCRBQNTGAN-GFCCVEGCSA-N 2 1 241.379 1.104 10 0 BDAEMP CCOC(=O)CCN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565360 170209982 /nfs/dbraw/zinc/20/99/82/170209982.db2.gz GQSQULJNPWXTOZ-NWDGAFQWSA-N 2 1 240.347 1.156 10 0 BDAEMP CCOC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565360 170209985 /nfs/dbraw/zinc/20/99/85/170209985.db2.gz GQSQULJNPWXTOZ-NWDGAFQWSA-N 2 1 240.347 1.156 10 0 BDAEMP CCc1cc(NCCOCCC[NH3+])nc(C)[nH+]1 ZINC000630537225 411768192 /nfs/dbraw/zinc/76/81/92/411768192.db2.gz KSJRDRIYFRYMKZ-UHFFFAOYSA-N 2 1 238.335 1.125 10 0 BDAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CC[C@H](C)[NH2+]1 ZINC000061148139 171010772 /nfs/dbraw/zinc/01/07/72/171010772.db2.gz UXIYICVDMPGQNV-MELADBBJSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+]2CCC[C@H](O)C2)C1 ZINC000036128402 171055411 /nfs/dbraw/zinc/05/54/11/171055411.db2.gz PPVWSCQXESKCAN-YIYPIFLZSA-N 2 1 240.391 1.597 10 0 BDAEMP CC[C@@H]1COCC[N@H+]1CC1CCC([NH3+])CC1 ZINC000037482509 171106143 /nfs/dbraw/zinc/10/61/43/171106143.db2.gz UPLBNJFEQZZIHR-WXRRBKDZSA-N 2 1 226.364 1.615 10 0 BDAEMP CC[C@@H]1COCC[N@H+]1C1CCC([NH3+])CC1 ZINC000055144394 171107027 /nfs/dbraw/zinc/10/70/27/171107027.db2.gz YKTUUTDLBJMSCW-MOENNCHZSA-N 2 1 212.337 1.367 10 0 BDAEMP CC[C@H](C)[NH2+]C[C@H](C)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000104136227 171341669 /nfs/dbraw/zinc/34/16/69/171341669.db2.gz GUHZONHIUUYLHR-MELADBBJSA-N 2 1 241.423 1.789 10 0 BDAEMP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623405 412246415 /nfs/dbraw/zinc/24/64/15/412246415.db2.gz XRVDLKJHCYOAEI-GHMZBOCLSA-N 2 1 241.379 1.103 10 0 BDAEMP CCc1[nH+]ccn1Cc1ccc(C[NH3+])o1 ZINC000016942731 172028127 /nfs/dbraw/zinc/02/81/27/172028127.db2.gz LIHDBFDHMHNDEL-UHFFFAOYSA-N 2 1 205.261 1.546 10 0 BDAEMP CCn1cc[nH+]c1N1CCC[C@H](C[NH3+])C1 ZINC000050614395 172226166 /nfs/dbraw/zinc/22/61/66/172226166.db2.gz JVKPOHYQEOOHST-SNVBAGLBSA-N 2 1 208.309 1.078 10 0 BDAEMP CCn1cc[nH+]c1N1CCC[C@H]([NH2+]C)C1 ZINC000053204980 172226184 /nfs/dbraw/zinc/22/61/84/172226184.db2.gz GOHMVCSCWXELFP-JTQLQIEISA-N 2 1 208.309 1.091 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CNc1cc(N)cc[nH+]1 ZINC000044563511 173010111 /nfs/dbraw/zinc/01/01/11/173010111.db2.gz ROJQRRWBUWKPJW-NSHDSACASA-N 2 1 220.320 1.560 10 0 BDAEMP C[N@H+]1CCCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000020217625 173016664 /nfs/dbraw/zinc/01/66/64/173016664.db2.gz UUMYCBSJLJFTSM-UHFFFAOYSA-N 2 1 232.331 1.113 10 0 BDAEMP CN1CC[N@H+](Cc2ccccc2)C[C@H]1C(C)(C)[NH3+] ZINC000096963456 173088357 /nfs/dbraw/zinc/08/83/57/173088357.db2.gz WGKGNSCDCHDDGD-AWEZNQCLSA-N 2 1 247.386 1.540 10 0 BDAEMP CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C(C)(C)[NH3+] ZINC000096963456 173088359 /nfs/dbraw/zinc/08/83/59/173088359.db2.gz WGKGNSCDCHDDGD-AWEZNQCLSA-N 2 1 247.386 1.540 10 0 BDAEMP CN(Cc1ccc(CO)o1)C[C@@H]1CC[N@@H+](C)C1 ZINC000120991379 173112052 /nfs/dbraw/zinc/11/20/52/173112052.db2.gz YXPURGVNFWPXKP-LLVKDONJSA-N 2 1 238.331 1.155 10 0 BDAEMP CN1CC[C@@H](C[N@@H+](C)C[C@@H]2CCCCC2=O)C1 ZINC000071191193 173112237 /nfs/dbraw/zinc/11/22/37/173112237.db2.gz WIXUCZJEYHKIAN-OLZOCXBDSA-N 2 1 238.375 1.629 10 0 BDAEMP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCCCC1=O ZINC000071191193 173112240 /nfs/dbraw/zinc/11/22/40/173112240.db2.gz WIXUCZJEYHKIAN-OLZOCXBDSA-N 2 1 238.375 1.629 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCCCC1=O ZINC000071191193 173112241 /nfs/dbraw/zinc/11/22/41/173112241.db2.gz WIXUCZJEYHKIAN-OLZOCXBDSA-N 2 1 238.375 1.629 10 0 BDAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@@H]1CCCCC1=O ZINC000071191193 173112243 /nfs/dbraw/zinc/11/22/43/173112243.db2.gz WIXUCZJEYHKIAN-OLZOCXBDSA-N 2 1 238.375 1.629 10 0 BDAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@@H]1CCCCC1=O ZINC000071191193 173112245 /nfs/dbraw/zinc/11/22/45/173112245.db2.gz WIXUCZJEYHKIAN-OLZOCXBDSA-N 2 1 238.375 1.629 10 0 BDAEMP C[N@@H+]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000054788118 173146692 /nfs/dbraw/zinc/14/66/92/173146692.db2.gz JRPGEWZOHZGDRX-SECBINFHSA-N 2 1 211.334 1.184 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000054788118 173146693 /nfs/dbraw/zinc/14/66/93/173146693.db2.gz JRPGEWZOHZGDRX-SECBINFHSA-N 2 1 211.334 1.184 10 0 BDAEMP C[N@H+]1CC[C@H](CNc2cc[nH+]cc2N)C1 ZINC000037484615 173147299 /nfs/dbraw/zinc/14/72/99/173147299.db2.gz XMIUIGQKVLMKGD-SECBINFHSA-N 2 1 206.293 1.027 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000037484768 173147457 /nfs/dbraw/zinc/14/74/57/173147457.db2.gz SBKAXGIFUCZLNB-QWHCGFSZSA-N 2 1 208.349 1.884 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037484575 173147622 /nfs/dbraw/zinc/14/76/22/173147622.db2.gz LWBFILVCHPBCRX-GFCCVEGCSA-N 2 1 222.307 1.867 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000054629130 173323648 /nfs/dbraw/zinc/32/36/48/173323648.db2.gz LWAURCWQZDNENR-ARQSVGKCSA-N 2 1 249.402 1.438 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN2CCC[C@H]12 ZINC000054629130 173323650 /nfs/dbraw/zinc/32/36/50/173323650.db2.gz LWAURCWQZDNENR-ARQSVGKCSA-N 2 1 249.402 1.438 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN2CCC[C@H]12 ZINC000054629130 173323652 /nfs/dbraw/zinc/32/36/52/173323652.db2.gz LWAURCWQZDNENR-ARQSVGKCSA-N 2 1 249.402 1.438 10 0 BDAEMP C[NH2+]CC[C@H](O)C[N@@H+](C)C1CCCCCC1 ZINC000077342805 173358979 /nfs/dbraw/zinc/35/89/79/173358979.db2.gz PDEPMNFREIJGNY-ZDUSSCGKSA-N 2 1 228.380 1.611 10 0 BDAEMP C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061935745 173362168 /nfs/dbraw/zinc/36/21/68/173362168.db2.gz XGSNOFZVSACXFX-NEPJUHHUSA-N 2 1 214.353 1.341 10 0 BDAEMP C[NH2+]C[C@@H](C(C)C)[N@H+]1CCCO[C@H](C)C1 ZINC000061935745 173362170 /nfs/dbraw/zinc/36/21/70/173362170.db2.gz XGSNOFZVSACXFX-NEPJUHHUSA-N 2 1 214.353 1.341 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000011891990 173381516 /nfs/dbraw/zinc/38/15/16/173381516.db2.gz DKCWGWSEUSAELY-GFCCVEGCSA-N 2 1 236.334 1.910 10 0 BDAEMP C[NH2+][C@H]1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061653615 173462054 /nfs/dbraw/zinc/46/20/54/173462054.db2.gz CFJLJLNPALMRAL-MCIONIFRSA-N 2 1 239.407 1.401 10 0 BDAEMP C[NH2+][C@H]1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061653615 173462055 /nfs/dbraw/zinc/46/20/55/173462055.db2.gz CFJLJLNPALMRAL-MCIONIFRSA-N 2 1 239.407 1.401 10 0 BDAEMP COCCC[N@H+](CCOC)C[C@H]([NH3+])CC(C)C ZINC000042425414 174224406 /nfs/dbraw/zinc/22/44/06/174224406.db2.gz RQRVSIKSVGCSSN-CYBMUJFWSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@@H+](CCOC)C[C@H]([NH3+])CC(C)C ZINC000042425414 174224409 /nfs/dbraw/zinc/22/44/09/174224409.db2.gz RQRVSIKSVGCSSN-CYBMUJFWSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@H+](CCOC)[C@@H](C[NH3+])CC(C)C ZINC000042421092 174225744 /nfs/dbraw/zinc/22/57/44/174225744.db2.gz OGZPSGQFSGFIQS-CYBMUJFWSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])CC(C)C ZINC000042421092 174225747 /nfs/dbraw/zinc/22/57/47/174225747.db2.gz OGZPSGQFSGFIQS-CYBMUJFWSA-N 2 1 246.395 1.345 10 0 BDAEMP COCC[N@@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052572886 174281399 /nfs/dbraw/zinc/28/13/99/174281399.db2.gz BRJSDILDNXXRKK-UHFFFAOYSA-N 2 1 240.347 1.856 10 0 BDAEMP COCC[N@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000048924458 174282327 /nfs/dbraw/zinc/28/23/27/174282327.db2.gz OLMYVWJIYSUOLN-WDEREUQCSA-N 2 1 200.326 1.225 10 0 BDAEMP COCC[N@@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000048924458 174282329 /nfs/dbraw/zinc/28/23/29/174282329.db2.gz OLMYVWJIYSUOLN-WDEREUQCSA-N 2 1 200.326 1.225 10 0 BDAEMP COCC[N@@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] ZINC000042517608 174285636 /nfs/dbraw/zinc/28/56/36/174285636.db2.gz WYMOZTQVCJPNFN-MBNYWOFBSA-N 2 1 240.391 1.861 10 0 BDAEMP COCC[N@@H+]1CCC[NH2+][C@H](CC(C)C)C1 ZINC000062571854 174306657 /nfs/dbraw/zinc/30/66/57/174306657.db2.gz VMYQLSZZNHBOIP-GFCCVEGCSA-N 2 1 214.353 1.343 10 0 BDAEMP COCC[N@H+]1CCC[NH2+][C@H](CC(C)C)C1 ZINC000062571854 174306659 /nfs/dbraw/zinc/30/66/59/174306659.db2.gz VMYQLSZZNHBOIP-GFCCVEGCSA-N 2 1 214.353 1.343 10 0 BDAEMP COc1ccc(C[N@@H+](C)C[C@@H](C)C[NH3+])cc1 ZINC000042441456 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C[C@@H]1C[NH2+]CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000044510690 176326112 /nfs/dbraw/zinc/32/61/12/176326112.db2.gz HITLIDVWUOEWGX-NEPJUHHUSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@@H]1COCC[N@@H+]1CC1(C[NH3+])CCCC1 ZINC000051216757 176335331 /nfs/dbraw/zinc/33/53/31/176335331.db2.gz NKYKNCYQTVCQQP-LLVKDONJSA-N 2 1 212.337 1.226 10 0 BDAEMP C[C@@H]1COCC[N@H+]1CC1(C[NH3+])CCCC1 ZINC000051216757 176335333 /nfs/dbraw/zinc/33/53/33/176335333.db2.gz NKYKNCYQTVCQQP-LLVKDONJSA-N 2 1 212.337 1.226 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000309427458 176927801 /nfs/dbraw/zinc/92/78/01/176927801.db2.gz AXTCYQPPMGBIPL-JQWIXIFHSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068235 177042873 /nfs/dbraw/zinc/04/28/73/177042873.db2.gz RQWNGGPHIKFGSX-VXGBXAGGSA-N 2 1 219.332 1.684 10 0 BDAEMP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068235 177042874 /nfs/dbraw/zinc/04/28/74/177042874.db2.gz RQWNGGPHIKFGSX-VXGBXAGGSA-N 2 1 219.332 1.684 10 0 BDAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000051732090 177159765 /nfs/dbraw/zinc/15/97/65/177159765.db2.gz JYJZSNLPKNKMBP-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](Cc2ccccn2)C1 ZINC000049666523 177165652 /nfs/dbraw/zinc/16/56/52/177165652.db2.gz OQNQGLLPACLELF-OLZOCXBDSA-N 2 1 233.359 1.902 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](Cc2ccccn2)C1 ZINC000049666523 177165653 /nfs/dbraw/zinc/16/56/53/177165653.db2.gz OQNQGLLPACLELF-OLZOCXBDSA-N 2 1 233.359 1.902 10 0 BDAEMP C[C@H]1CC[N@H+](Cc2ccncc2)CCC[NH2+]1 ZINC000049666603 177167204 /nfs/dbraw/zinc/16/72/04/177167204.db2.gz SWOYGLOWUMVVCX-LBPRGKRZSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2ccncc2)CCC[NH2+]1 ZINC000049666603 177167206 /nfs/dbraw/zinc/16/72/06/177167206.db2.gz SWOYGLOWUMVVCX-LBPRGKRZSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)CC[N@H+]1C ZINC000104135927 177262500 /nfs/dbraw/zinc/26/25/00/177262500.db2.gz YTWYTDQXOQKDHM-NSHDSACASA-N 2 1 246.358 1.107 10 0 BDAEMP C[C@H]1C[N@H+](Cc2ccc(C(N)=[NH2+])cc2)CCN1C ZINC000104135927 177262501 /nfs/dbraw/zinc/26/25/01/177262501.db2.gz YTWYTDQXOQKDHM-NSHDSACASA-N 2 1 246.358 1.107 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)CCN1C ZINC000104135927 177262502 /nfs/dbraw/zinc/26/25/02/177262502.db2.gz YTWYTDQXOQKDHM-NSHDSACASA-N 2 1 246.358 1.107 10 0 BDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH]cn1 ZINC000093437446 177280334 /nfs/dbraw/zinc/28/03/34/177280334.db2.gz QWCLIKYQQOGTGU-CMPLNLGQSA-N 2 1 220.320 1.078 10 0 BDAEMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc[nH]1 ZINC000093437446 177280337 /nfs/dbraw/zinc/28/03/37/177280337.db2.gz QWCLIKYQQOGTGU-CMPLNLGQSA-N 2 1 220.320 1.078 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccccc1 ZINC000062569191 177281512 /nfs/dbraw/zinc/28/15/12/177281512.db2.gz FBACUGZJIQWNBG-LBPRGKRZSA-N 2 1 204.317 1.870 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccccc1 ZINC000062569191 177281513 /nfs/dbraw/zinc/28/15/13/177281513.db2.gz FBACUGZJIQWNBG-LBPRGKRZSA-N 2 1 204.317 1.870 10 0 BDAEMP C[C@H]1CSC(NC[C@H]2CCCC[N@H+]2C)=[NH+]1 ZINC000044563820 177302626 /nfs/dbraw/zinc/30/26/26/177302626.db2.gz IKZPIZBEQFMYEH-VHSXEESVSA-N 2 1 227.377 1.552 10 0 BDAEMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)nc1C ZINC000400379905 226342248 /nfs/dbraw/zinc/34/22/48/226342248.db2.gz WSSHSTZFNUFMIQ-STQMWFEESA-N 2 1 233.359 1.786 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562958476 323035205 /nfs/dbraw/zinc/03/52/05/323035205.db2.gz JUTDDTHQMVHTPY-MELADBBJSA-N 2 1 239.407 1.448 10 0 BDAEMP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562958476 323035206 /nfs/dbraw/zinc/03/52/06/323035206.db2.gz JUTDDTHQMVHTPY-MELADBBJSA-N 2 1 239.407 1.448 10 0 BDAEMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564824416 325808799 /nfs/dbraw/zinc/80/87/99/325808799.db2.gz NAGPEIMCRHBBGC-ZIAGYGMSSA-N 3 1 239.407 1.450 10 0 BDAEMP [NH3+]CC1(CCNc2cc[nH+]cc2Cl)CC1 ZINC000395848932 487703165 /nfs/dbraw/zinc/70/31/65/487703165.db2.gz CWYSIVLLVHRNJG-UHFFFAOYSA-N 2 1 225.723 1.698 10 0 BDAEMP [NH3+]CC[C@@H](Nc1cc[nH+]cc1Cl)C(F)F ZINC000383423657 491082144 /nfs/dbraw/zinc/08/21/44/491082144.db2.gz BEFPFUXNKUURRV-MRVPVSSYSA-N 2 1 235.665 1.551 10 0 BDAEMP C[C@@H]1C[C@H]1[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757124145 582499146 /nfs/dbraw/zinc/49/91/46/582499146.db2.gz BYFROMSCBQYATD-LOWDOPEQSA-N 2 1 208.349 1.859 10 0 BDAEMP COCCC[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757125474 582500216 /nfs/dbraw/zinc/50/02/16/582500216.db2.gz DVLCYWIMVUZCGQ-CHWSQXEVSA-N 2 1 226.364 1.629 10 0 BDAEMP CCC[N@@H+](CC)CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400400786 527978952 /nfs/dbraw/zinc/97/89/52/527978952.db2.gz PTSFGRLWNBWDJY-OLZOCXBDSA-N 2 1 227.396 1.306 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@]12C[N@H+](C(C)(C)C)CC[C@@H]2O ZINC000725245742 538002507 /nfs/dbraw/zinc/00/25/07/538002507.db2.gz MCCRZRVWRPRLMM-MDZLAQPJSA-N 2 1 226.364 1.077 10 0 BDAEMP FC(F)[C@H]1CC[NH2+]C2(CC[NH+](C3CC3)CC2)O1 ZINC000757143621 582523930 /nfs/dbraw/zinc/52/39/30/582523930.db2.gz MCVPVTSGQGEDLJ-SNVBAGLBSA-N 2 1 246.301 1.585 10 0 BDAEMP CC[C@@]1(C)CCO[C@@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757146332 582529890 /nfs/dbraw/zinc/52/98/90/582529890.db2.gz KOOCTDPSEOUFND-QWHCGFSZSA-N 2 1 226.364 1.977 10 0 BDAEMP C1CC1[NH+]1CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757152725 582537239 /nfs/dbraw/zinc/53/72/39/582537239.db2.gz UVDBDAQXINCICU-UHFFFAOYSA-N 2 1 236.359 1.874 10 0 BDAEMP CC(=O)c1cccc([C@@H]2CC[C@@H](C[NH3+])[NH2+]C2)c1 ZINC000757212323 586439263 /nfs/dbraw/zinc/43/92/63/586439263.db2.gz ICMAVXGLQOLMFT-KGLIPLIRSA-N 2 1 232.327 1.684 10 0 BDAEMP C[C@@H]1[NH2+][C@@H](c2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000757217723 586441838 /nfs/dbraw/zinc/44/18/38/586441838.db2.gz SDEIQVAUWPLADC-TVYUQYBPSA-N 3 1 219.332 1.286 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]12 ZINC000313607617 634498546 /nfs/dbraw/zinc/49/85/46/634498546.db2.gz HAYKUDNVFPCCQY-BYNSBNAKSA-N 2 1 246.354 1.389 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H]([NH3+])CC(F)F ZINC000310308005 635593417 /nfs/dbraw/zinc/59/34/17/635593417.db2.gz SHIOIPLNHGXALU-GHMZBOCLSA-N 2 1 249.349 1.385 10 0 BDAEMP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCCO1 ZINC000328505427 633772760 /nfs/dbraw/zinc/77/27/60/633772760.db2.gz XNEDIBVFXZHXLM-BHAYOYGOSA-N 2 1 236.359 1.140 10 0 BDAEMP CC[N@H+]1CCC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000040503548 633816781 /nfs/dbraw/zinc/81/67/81/633816781.db2.gz NJEVRKFDAFLMTC-GFCCVEGCSA-N 2 1 241.379 1.106 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000111273414 637097295 /nfs/dbraw/zinc/09/72/95/637097295.db2.gz JYPTUFOBVKVQHA-RFGFWPKPSA-N 2 1 238.375 1.485 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000111273414 637097301 /nfs/dbraw/zinc/09/73/01/637097301.db2.gz JYPTUFOBVKVQHA-RFGFWPKPSA-N 2 1 238.375 1.485 10 0 BDAEMP c1ccc([C@@H]2C[C@H]2[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000044660145 640445038 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/nfs/dbraw/zinc/01/04/84/345010484.db2.gz AFILRTQJTZQUQW-KBPBESRZSA-N 2 1 234.343 1.089 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1C[NH3+] ZINC000634998702 345197984 /nfs/dbraw/zinc/19/79/84/345197984.db2.gz JLRFVPFQGOQZHN-ZJUUUORDSA-N 2 1 210.346 1.775 10 0 BDAEMP CC(C)n1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634998811 345199556 /nfs/dbraw/zinc/19/95/56/345199556.db2.gz LJQTWUQROAZAOH-AAEUAGOBSA-N 2 1 236.363 1.491 10 0 BDAEMP CC(C)n1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634998811 345199558 /nfs/dbraw/zinc/19/95/58/345199558.db2.gz LJQTWUQROAZAOH-AAEUAGOBSA-N 2 1 236.363 1.491 10 0 BDAEMP COc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000635000150 345202230 /nfs/dbraw/zinc/20/22/30/345202230.db2.gz ICFHSHMHMGJWRE-YPMHNXCESA-N 2 1 234.343 1.722 10 0 BDAEMP [NH3+]C[C@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000251329832 345493306 /nfs/dbraw/zinc/49/33/06/345493306.db2.gz PAIBBRIUDWCNKT-ZJUUUORDSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H]1CCC[N@@H+](Cc2cncc(C[NH3+])c2)C1 ZINC000669379142 537974542 /nfs/dbraw/zinc/97/45/42/537974542.db2.gz UFJIJZHNIIKZLV-NSHDSACASA-N 2 1 219.332 1.772 10 0 BDAEMP C[NH2+]C[C@H]1CCCC[N@@H+]1[C@H]1CCSC1 ZINC000250698932 362817028 /nfs/dbraw/zinc/81/70/28/362817028.db2.gz CHEOXOMGKHTHHS-MNOVXSKESA-N 2 1 214.378 1.566 10 0 BDAEMP C[NH2+]C[C@H]1CCCC[N@H+]1[C@H]1CCSC1 ZINC000250698932 362817035 /nfs/dbraw/zinc/81/70/35/362817035.db2.gz CHEOXOMGKHTHHS-MNOVXSKESA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@]2(C[NH3+])CS[C@@H](C)C2)C1 ZINC000251709854 362900765 /nfs/dbraw/zinc/90/07/65/362900765.db2.gz OVOYRGANLFMACY-OUAUKWLOSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@]2(C[NH3+])CS[C@@H](C)C2)C1 ZINC000251709854 362900768 /nfs/dbraw/zinc/90/07/68/362900768.db2.gz OVOYRGANLFMACY-OUAUKWLOSA-N 2 1 214.378 1.551 10 0 BDAEMP Cc1ccc([C@H]2CC[NH2+]C[C@H]2[NH3+])cc1F ZINC000669384694 538017158 /nfs/dbraw/zinc/01/71/58/538017158.db2.gz BLCNFDTWVJJUIV-ZYHUDNBSSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1c[nH+]ccc1N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248673443 349145364 /nfs/dbraw/zinc/14/53/64/349145364.db2.gz RXWRINDYAINHGR-STQMWFEESA-N 2 1 249.358 1.281 10 0 BDAEMP Cc1c[nH+]ccc1N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248673442 349145602 /nfs/dbraw/zinc/14/56/02/349145602.db2.gz RXWRINDYAINHGR-QWHCGFSZSA-N 2 1 249.358 1.281 10 0 BDAEMP COc1cccc(C[C@H]2C[N@@H+](C)CC[C@@H]2[NH3+])c1 ZINC000022130091 350113487 /nfs/dbraw/zinc/11/34/87/350113487.db2.gz BBMMDMHFHHAQRZ-JSGCOSHPSA-N 2 1 234.343 1.517 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000302409598 350087247 /nfs/dbraw/zinc/08/72/47/350087247.db2.gz PKHHFZFDCXZAAV-WCQYABFASA-N 2 1 240.391 1.467 10 0 BDAEMP Cc1nc[nH]c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062079043 180122526 /nfs/dbraw/zinc/12/25/26/180122526.db2.gz HIZXECQYZSEXHG-NSHDSACASA-N 2 1 236.363 1.540 10 0 BDAEMP Cc1[nH+]ccn1-c1nc2ccccn2c1CC[NH3+] ZINC000104280429 180230252 /nfs/dbraw/zinc/23/02/52/180230252.db2.gz MDGXIFPTCZVKER-UHFFFAOYSA-N 2 1 241.298 1.330 10 0 BDAEMP Cc1[nH+]ccn1-c1nc2ccccn2c1C[NH3+] ZINC000035449840 180231228 /nfs/dbraw/zinc/23/12/28/180231228.db2.gz NSIBXPQORICDDH-UHFFFAOYSA-N 2 1 227.271 1.287 10 0 BDAEMP Cc1[nH+]ccn1CCN1CCC[C@@H]1C[NH2+]C1CC1 ZINC000053649487 180250932 /nfs/dbraw/zinc/25/09/32/180250932.db2.gz FSEPRUVQAVFKLY-CQSZACIVSA-N 2 1 248.374 1.408 10 0 BDAEMP Cc1[nH+]ccn1C[C@@H](O)c1ccc(C[NH3+])cc1 ZINC000035727644 180264878 /nfs/dbraw/zinc/26/48/78/180264878.db2.gz LDJLXWFEYFGQJL-CYBMUJFWSA-N 2 1 231.299 1.384 10 0 BDAEMP Cc1[nH+]cn([C@H](c2ccncc2)[C@@H](C)[NH3+])c1C ZINC000051925704 180288598 /nfs/dbraw/zinc/28/85/98/180288598.db2.gz QZQPXOQPNRXQNF-RNCFNFMXSA-N 2 1 230.315 1.832 10 0 BDAEMP Cc1[nH+]cn([C@H](C[NH3+])c2ccco2)c1C ZINC000051925630 180289779 /nfs/dbraw/zinc/28/97/79/180289779.db2.gz FEOMTEWQLKBHIC-SNVBAGLBSA-N 2 1 205.261 1.641 10 0 BDAEMP Nc1cccc([C@H]2CCC[N@@H+](CCO)CC2)n1 ZINC000616600115 350779744 /nfs/dbraw/zinc/77/97/44/350779744.db2.gz BVJDKSCDULJCAY-NSHDSACASA-N 2 1 235.331 1.226 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@@H]2CCSC2)C[C@H]1[NH3+] ZINC000251597851 350899166 /nfs/dbraw/zinc/89/91/66/350899166.db2.gz GBAPNXRLFNLRTC-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@@H]2CCSC2)C[C@H]1[NH3+] ZINC000251597851 350899170 /nfs/dbraw/zinc/89/91/70/350899170.db2.gz GBAPNXRLFNLRTC-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000251709850 350901177 /nfs/dbraw/zinc/90/11/77/350901177.db2.gz OVOYRGANLFMACY-GMTAPVOTSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000251709850 350901179 /nfs/dbraw/zinc/90/11/79/350901179.db2.gz OVOYRGANLFMACY-GMTAPVOTSA-N 2 1 214.378 1.551 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000306732289 350902454 /nfs/dbraw/zinc/90/24/54/350902454.db2.gz MGJCPNLGTCBMTR-QMMMGPOBSA-N 2 1 204.195 1.453 10 0 BDAEMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000252683341 350913961 /nfs/dbraw/zinc/91/39/61/350913961.db2.gz DLLPJZFDHNBJOI-UWVGGRQHSA-N 2 1 200.351 1.033 10 0 BDAEMP CC[C@@H]1C[N@H+](C2CSC2)CC[C@@H]1[NH3+] ZINC000306782350 351029440 /nfs/dbraw/zinc/02/94/40/351029440.db2.gz QMUVVMBNPNKJGW-SCZZXKLOSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[C@H]1C[N@H+](C2CSC2)CC[C@H]1[NH3+] ZINC000306782352 351029723 /nfs/dbraw/zinc/02/97/23/351029723.db2.gz QMUVVMBNPNKJGW-WCBMZHEXSA-N 2 1 200.351 1.161 10 0 BDAEMP C/C(=C\Cl)C[N@@H+]1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000306850068 351159294 /nfs/dbraw/zinc/15/92/94/351159294.db2.gz ODEYMLPCUMYNLE-SYSLIXBVSA-N 2 1 200.713 1.408 10 0 BDAEMP CC(C)(C)[N@H+]1CCCO[C@@H](CC[NH3+])C1 ZINC000616651884 351189303 /nfs/dbraw/zinc/18/93/03/351189303.db2.gz BLEUHRULUCRMDZ-JTQLQIEISA-N 2 1 200.326 1.225 10 0 BDAEMP [NH3+]C/C=C1/CC[N@@H+](Cc2ccccc2)C1 ZINC000069049944 351347451 /nfs/dbraw/zinc/34/74/51/351347451.db2.gz APDCWTQURUEFOP-MLPAPPSSSA-N 2 1 202.301 1.777 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1OC ZINC000725268189 538100365 /nfs/dbraw/zinc/10/03/65/538100365.db2.gz KJIZLLJQEZXZSN-GXFFZTMASA-N 2 1 236.315 1.108 10 0 BDAEMP C[C@@]1(C[NH3+])CC[N@H+]([C@@H]2CCSC2)C1 ZINC000307153266 351506718 /nfs/dbraw/zinc/50/67/18/351506718.db2.gz AJVFEOYLVBFUJG-ZJUUUORDSA-N 2 1 200.351 1.163 10 0 BDAEMP CC[C@@H]1CC[N@H+](CCF)C[C@H](C)C[NH2+]1 ZINC000307190231 351591733 /nfs/dbraw/zinc/59/17/33/351591733.db2.gz WVPRISIHRZBUHF-GHMZBOCLSA-N 2 1 202.317 1.666 10 0 BDAEMP CC[C@@H]1CC[N@@H+](CCF)C[C@H](C)C[NH2+]1 ZINC000307190231 351591736 /nfs/dbraw/zinc/59/17/36/351591736.db2.gz WVPRISIHRZBUHF-GHMZBOCLSA-N 2 1 202.317 1.666 10 0 BDAEMP C[C@H]1CCC[N@H+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273923 538104859 /nfs/dbraw/zinc/10/48/59/538104859.db2.gz VEMOSTUOTGXTBB-LBPRGKRZSA-N 2 1 225.380 1.141 10 0 BDAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=[NH2+])NC(C)(C)C ZINC000052043830 187954333 /nfs/dbraw/zinc/95/43/33/187954333.db2.gz VEBYGIRKWXABPQ-NSHDSACASA-N 2 1 242.411 1.875 10 0 BDAEMP C(C[C@H]1CCC[NH2+]1)C[N@H+]1CCCOCC1 ZINC000061918678 188013223 /nfs/dbraw/zinc/01/32/23/188013223.db2.gz BRIASQJCYMTVTH-GFCCVEGCSA-N 2 1 212.337 1.241 10 0 BDAEMP COC[C@H](C)[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C ZINC000128393441 353290333 /nfs/dbraw/zinc/29/03/33/353290333.db2.gz XARJPOALGRMONI-VWYCJHECSA-N 2 1 200.326 1.094 10 0 BDAEMP NC(=[NH2+])CC[N@@H+]1CCc2sccc2C1 ZINC000019488859 181186315 /nfs/dbraw/zinc/18/63/15/181186315.db2.gz JUJHPWXOIYIMAS-UHFFFAOYSA-N 2 1 209.318 1.432 10 0 BDAEMP NC(=[NH2+])CC[N@H+]1CCc2sccc2C1 ZINC000019488859 181186317 /nfs/dbraw/zinc/18/63/17/181186317.db2.gz JUJHPWXOIYIMAS-UHFFFAOYSA-N 2 1 209.318 1.432 10 0 BDAEMP [NH3+][C@@H]1C=C(C[C@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076654 538511333 /nfs/dbraw/zinc/51/13/33/538511333.db2.gz FNOGBIFBDBWRQP-PSASIEDQSA-N 2 1 216.275 1.669 10 0 BDAEMP CCC[N@@H+](C)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080511 538519558 /nfs/dbraw/zinc/51/95/58/538519558.db2.gz SGOZIZRFZGRWIC-MNOVXSKESA-N 2 1 212.337 1.225 10 0 BDAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000257580043 538737215 /nfs/dbraw/zinc/73/72/15/538737215.db2.gz FALAUYKCTAIKNT-NEPJUHHUSA-N 2 1 208.280 1.920 10 0 BDAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000257580043 538737224 /nfs/dbraw/zinc/73/72/24/538737224.db2.gz FALAUYKCTAIKNT-NEPJUHHUSA-N 2 1 208.280 1.920 10 0 BDAEMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH2+]CC1 ZINC000389708103 357018057 /nfs/dbraw/zinc/01/80/57/357018057.db2.gz LKISYAXERJLSAG-NSHDSACASA-N 2 1 213.369 1.057 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C2CCSCC2)C1 ZINC000160574754 357078153 /nfs/dbraw/zinc/07/81/53/357078153.db2.gz QKFBSPRSRDGYTI-VHSXEESVSA-N 2 1 214.378 1.551 10 0 BDAEMP CCOc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685946687 538887202 /nfs/dbraw/zinc/88/72/02/538887202.db2.gz USPLMUHGKRSOAU-OLZOCXBDSA-N 2 1 220.316 1.490 10 0 BDAEMP COc1cccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685945975 538887534 /nfs/dbraw/zinc/88/75/34/538887534.db2.gz HVILWHJVLVCLTQ-VXGBXAGGSA-N 2 1 206.289 1.099 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000685945941 538887543 /nfs/dbraw/zinc/88/75/43/538887543.db2.gz HEHHXEAMXBKUSZ-VXGBXAGGSA-N 2 1 208.280 1.620 10 0 BDAEMP Cc1cc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])ccc1F ZINC000685947000 538888979 /nfs/dbraw/zinc/88/89/79/538888979.db2.gz YYDPJUMKHXRHMB-JQWIXIFHSA-N 2 1 208.280 1.538 10 0 BDAEMP CC[N@@H+](CCOC)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951384 538894352 /nfs/dbraw/zinc/89/43/52/538894352.db2.gz RUUJPZCBIHAEGL-GHMZBOCLSA-N 2 1 214.353 1.199 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[NH+]1[C@H](C)COC[C@H]1C ZINC000685951721 538894993 /nfs/dbraw/zinc/89/49/93/538894993.db2.gz WEZVPLINQXHYSR-MLGHIDQZSA-N 2 1 226.364 1.340 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219250135 357989025 /nfs/dbraw/zinc/98/90/25/357989025.db2.gz MKOUVNVKRMHDPW-YIYPIFLZSA-N 2 1 238.375 1.506 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219250135 357989028 /nfs/dbraw/zinc/98/90/28/357989028.db2.gz MKOUVNVKRMHDPW-YIYPIFLZSA-N 2 1 238.375 1.506 10 0 BDAEMP C[C@H]([NH3+])C[C@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000584781805 358176939 /nfs/dbraw/zinc/17/69/39/358176939.db2.gz QWHFQMRGALLIRN-YUMQZZPRSA-N 2 1 219.292 1.496 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CCS[C@H]2C)C[C@H]1[NH3+] ZINC000300352070 358971411 /nfs/dbraw/zinc/97/14/11/358971411.db2.gz HMAZSQDLLWSMTC-UTINFBMNSA-N 2 1 200.351 1.159 10 0 BDAEMP CC(C)[NH2+]CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000246601630 359149661 /nfs/dbraw/zinc/14/96/61/359149661.db2.gz VWGKPVIBSBSVEP-ZDUSSCGKSA-N 2 1 225.380 1.155 10 0 BDAEMP CC(C)[N@@H+](C)CCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578638180 366615330 /nfs/dbraw/zinc/61/53/30/366615330.db2.gz BGWVIAVLQRROBT-ZIAGYGMSSA-N 3 1 241.423 1.694 10 0 BDAEMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578638180 366615333 /nfs/dbraw/zinc/61/53/33/366615333.db2.gz BGWVIAVLQRROBT-ZIAGYGMSSA-N 3 1 241.423 1.694 10 0 BDAEMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578638180 366615337 /nfs/dbraw/zinc/61/53/37/366615337.db2.gz BGWVIAVLQRROBT-ZIAGYGMSSA-N 3 1 241.423 1.694 10 0 BDAEMP COC1(C)CC[NH+](C(C)(C)C[NH3+])CC1 ZINC000306484602 360160136 /nfs/dbraw/zinc/16/01/36/360160136.db2.gz GLJNPPAUEYCIPB-UHFFFAOYSA-N 2 1 200.326 1.225 10 0 BDAEMP CC[N@H+]1CC[C@H](CNCc2cnn(C)c2C)C1 ZINC000093649990 360266544 /nfs/dbraw/zinc/26/65/44/360266544.db2.gz UFXBNKVERBSWNB-GFCCVEGCSA-N 2 1 236.363 1.160 10 0 BDAEMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2C)C1 ZINC000093649990 360266546 /nfs/dbraw/zinc/26/65/46/360266546.db2.gz UFXBNKVERBSWNB-GFCCVEGCSA-N 2 1 236.363 1.160 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2C)C1 ZINC000093649990 360266548 /nfs/dbraw/zinc/26/65/48/360266548.db2.gz UFXBNKVERBSWNB-GFCCVEGCSA-N 2 1 236.363 1.160 10 0 BDAEMP C[C@@H]1C[N@H+](C)CC[C@]12[NH2+]CCCS2 ZINC000306568454 360449754 /nfs/dbraw/zinc/44/97/54/360449754.db2.gz USTVSTIKRULAHM-NXEZZACHSA-N 2 1 200.351 1.381 10 0 BDAEMP C[C@@H]1C[N@@H+](C)CC[C@]12[NH2+]CCCS2 ZINC000306568454 360449757 /nfs/dbraw/zinc/44/97/57/360449757.db2.gz USTVSTIKRULAHM-NXEZZACHSA-N 2 1 200.351 1.381 10 0 BDAEMP COC[C@H](C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309470844 491149257 /nfs/dbraw/zinc/14/92/57/491149257.db2.gz QQVCCDYPHXHURV-GHMZBOCLSA-N 2 1 223.320 1.070 10 0 BDAEMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CCSC[C@H]1C ZINC000306577054 360465113 /nfs/dbraw/zinc/46/51/13/360465113.db2.gz KYWWXDRXWAVKOQ-GMTAPVOTSA-N 2 1 214.378 1.422 10 0 BDAEMP CSC1CC[NH+]([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000300838966 360531927 /nfs/dbraw/zinc/53/19/27/360531927.db2.gz LUVICCCHZDZAKD-WDEREUQCSA-N 2 1 214.378 1.694 10 0 BDAEMP C[C@@H](C[NH3+])C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908139 361001499 /nfs/dbraw/zinc/00/14/99/361001499.db2.gz KMWLBKCETIWCFR-LPEHRKFASA-N 2 1 202.367 1.407 10 0 BDAEMP CC(C)[C@](C)(C[NH3+])[NH+]1CCSCC1 ZINC000041053589 361210100 /nfs/dbraw/zinc/21/01/00/361210100.db2.gz WEPCCWVYIQPDOG-JTQLQIEISA-N 2 1 202.367 1.409 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000579227549 366738722 /nfs/dbraw/zinc/73/87/22/366738722.db2.gz OXTRFMRFUNNBCV-OLZOCXBDSA-N 2 1 242.407 1.715 10 0 BDAEMP [NH3+]C1([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000004204193 181333024 /nfs/dbraw/zinc/33/30/24/181333024.db2.gz CVIWGPQILYTQHX-CYBMUJFWSA-N 2 1 216.328 2.000 10 0 BDAEMP [NH3+]C1CCC(C[N@H+]2CCCOCC2)CC1 ZINC000061934921 181341845 /nfs/dbraw/zinc/34/18/45/181341845.db2.gz OHLBBTOUPZFNIY-UHFFFAOYSA-N 2 1 212.337 1.226 10 0 BDAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCC(O)CC1 ZINC000054601482 181344395 /nfs/dbraw/zinc/34/43/95/181344395.db2.gz SZMHXFUVPILALM-LJZITESISA-N 2 1 238.375 1.634 10 0 BDAEMP [NH3+]C1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000011729503 181344628 /nfs/dbraw/zinc/34/46/28/181344628.db2.gz XJZZCQMEZDRIRG-SNVBAGLBSA-N 2 1 226.345 1.205 10 0 BDAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCOCC1 ZINC000040749424 181344933 /nfs/dbraw/zinc/34/49/33/181344933.db2.gz JEKRMMSCUUUBMH-CLYYMRHHSA-N 2 1 210.321 1.120 10 0 BDAEMP C[C@H](C[NH3+])[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000252588211 363909719 /nfs/dbraw/zinc/90/97/19/363909719.db2.gz AUEMVAHQZVYDMA-MXWKQRLJSA-N 2 1 200.326 1.081 10 0 BDAEMP CCCCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630355353 364077542 /nfs/dbraw/zinc/07/75/42/364077542.db2.gz GWZTWIUZAFNFIZ-NWDGAFQWSA-N 2 1 214.353 1.615 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630354794 364078056 /nfs/dbraw/zinc/07/80/56/364078056.db2.gz AZIWGHNNKQPZAK-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP C[NH2+]CCOCCNc1cccc(C)[nH+]1 ZINC000630530445 364218413 /nfs/dbraw/zinc/21/84/13/364218413.db2.gz KDTZEIUBEPERFV-UHFFFAOYSA-N 2 1 209.293 1.038 10 0 BDAEMP CCc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)nc(C)[nH+]1 ZINC000630552337 364246358 /nfs/dbraw/zinc/24/63/58/364246358.db2.gz CYAIBYQSEDVVPQ-MWLCHTKSSA-N 2 1 234.347 1.378 10 0 BDAEMP [NH3+]C[C@H]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000630556579 364257750 /nfs/dbraw/zinc/25/77/50/364257750.db2.gz IULAARKQORZKQV-MGCOHNPYSA-N 2 1 245.330 1.887 10 0 BDAEMP [NH3+]CCCCC[N@H+]1CCCN(CC(F)F)CC1 ZINC000037755650 181374823 /nfs/dbraw/zinc/37/48/23/181374823.db2.gz BQRVXRKIVUKPJX-UHFFFAOYSA-N 2 1 249.349 1.388 10 0 BDAEMP [NH3+]CCCC[N@@H+]1C[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 ZINC000072236205 181375865 /nfs/dbraw/zinc/37/58/65/181375865.db2.gz RUWSDCQHMGBAFR-YVECIDJPSA-N 2 1 206.333 1.479 10 0 BDAEMP CN1CCC([N@H+](C)C[C@H]2CCCC[NH2+]C2)CC1 ZINC000675054247 541433700 /nfs/dbraw/zinc/43/37/00/541433700.db2.gz PCHNZLWUOPXODY-ZDUSSCGKSA-N 2 1 239.407 1.402 10 0 BDAEMP CN1CCC([N@@H+](C)C[C@H]2CCCC[NH2+]C2)CC1 ZINC000675054247 541433704 /nfs/dbraw/zinc/43/37/04/541433704.db2.gz PCHNZLWUOPXODY-ZDUSSCGKSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C2CC2)c1 ZINC000685965919 541498048 /nfs/dbraw/zinc/49/80/48/541498048.db2.gz YTIANQNGSSCAPK-ZIAGYGMSSA-N 2 1 216.328 1.968 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000253085326 368474495 /nfs/dbraw/zinc/47/44/95/368474495.db2.gz ZNLJMYFZEXLFML-GMTAPVOTSA-N 2 1 216.394 1.796 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000253085326 368474499 /nfs/dbraw/zinc/47/44/99/368474499.db2.gz ZNLJMYFZEXLFML-GMTAPVOTSA-N 2 1 216.394 1.796 10 0 BDAEMP Cc1ncccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836862 369085068 /nfs/dbraw/zinc/08/50/68/369085068.db2.gz IEIRHZDMSFJHSE-MFKMUULPSA-N 2 1 219.332 1.417 10 0 BDAEMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCCCS2)C1 ZINC000227014202 371768209 /nfs/dbraw/zinc/76/82/09/371768209.db2.gz XYXNCXROXRTUKF-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCCS2)C1 ZINC000227014202 371768220 /nfs/dbraw/zinc/76/82/20/371768220.db2.gz XYXNCXROXRTUKF-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP CC[C@H]1C[N@H+](C2CC[NH2+]CC2)CCS1 ZINC000133027934 371974128 /nfs/dbraw/zinc/97/41/28/371974128.db2.gz IUNXZEBLQKOZBD-NSHDSACASA-N 2 1 214.378 1.566 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CCCSCC1 ZINC000217687988 371997788 /nfs/dbraw/zinc/99/77/88/371997788.db2.gz FRKXZCORHIIMNM-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP CC[C@H]1CC[N@@H+]([C@@]2(C[NH3+])CCSC2)C1 ZINC000228679553 372066853 /nfs/dbraw/zinc/06/68/53/372066853.db2.gz OAHFLOUFYOMSIH-WDEREUQCSA-N 2 1 214.378 1.553 10 0 BDAEMP CC[C@H]1CC[N@H+]([C@@]2(C[NH3+])CCSC2)C1 ZINC000228679553 372066856 /nfs/dbraw/zinc/06/68/56/372066856.db2.gz OAHFLOUFYOMSIH-WDEREUQCSA-N 2 1 214.378 1.553 10 0 BDAEMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000631837513 372627852 /nfs/dbraw/zinc/62/78/52/372627852.db2.gz CEWDDEQFVRYMPW-NEPJUHHUSA-N 2 1 219.332 1.417 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000631838636 372634770 /nfs/dbraw/zinc/63/47/70/372634770.db2.gz RXFUTSRGOYQZLY-WOPDTQHZSA-N 2 1 212.337 1.082 10 0 BDAEMP C[C@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@@H]1C[NH3+] ZINC000631840871 372638015 /nfs/dbraw/zinc/63/80/15/372638015.db2.gz GRYUNPOXJWCQSO-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1C[NH3+] ZINC000631840871 372638023 /nfs/dbraw/zinc/63/80/23/372638023.db2.gz GRYUNPOXJWCQSO-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@H]1C[N@@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000631841064 372638768 /nfs/dbraw/zinc/63/87/68/372638768.db2.gz XUAIROFBYQHYAW-AAEUAGOBSA-N 2 1 219.332 1.151 10 0 BDAEMP OC[C@H](C1CCCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000038117373 183136248 /nfs/dbraw/zinc/13/62/48/183136248.db2.gz MERPQIGQKRGEKK-CYBMUJFWSA-N 2 1 226.364 1.223 10 0 BDAEMP O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904452 183231916 /nfs/dbraw/zinc/23/19/16/183231916.db2.gz UPKNQDIAOVAOOI-UBHSHLNASA-N 2 1 238.375 1.364 10 0 BDAEMP CCC[NH+](CCC)CC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000062442134 169147654 /nfs/dbraw/zinc/14/76/54/169147654.db2.gz HAGFYEQTWSOBEL-GFCCVEGCSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[N@@H+](CCC[NH3+])[C@H](C)C(=O)N1CCCC1 ZINC000036731940 169156048 /nfs/dbraw/zinc/15/60/48/169156048.db2.gz GONHYKQRUAQUBG-GFCCVEGCSA-N 2 1 241.379 1.058 10 0 BDAEMP CCC[NH+]1CCC(NCC[N@@H+](C)C2CC2)CC1 ZINC000061992532 169188052 /nfs/dbraw/zinc/18/80/52/169188052.db2.gz VJAUBZHZKYGCOJ-UHFFFAOYSA-N 2 1 239.407 1.545 10 0 BDAEMP CCC[NH+]1CCN([C@@H](C)CCC[NH3+])CC1 ZINC000052421939 169203831 /nfs/dbraw/zinc/20/38/31/169203831.db2.gz NBBBTYKFJCMATG-LBPRGKRZSA-N 2 1 213.369 1.141 10 0 BDAEMP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1CC(C)(C)O ZINC000104407826 169285851 /nfs/dbraw/zinc/28/58/51/169285851.db2.gz PNEKZLJGUHRLJJ-OLZOCXBDSA-N 2 1 242.407 2.000 10 0 BDAEMP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1CC(C)(C)O ZINC000104407826 169285852 /nfs/dbraw/zinc/28/58/52/169285852.db2.gz PNEKZLJGUHRLJJ-OLZOCXBDSA-N 2 1 242.407 2.000 10 0 BDAEMP c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)nc1 ZINC000049565119 183395368 /nfs/dbraw/zinc/39/53/68/183395368.db2.gz YZVIQXRIFAVLBG-HUUCEWRRSA-N 2 1 245.370 1.841 10 0 BDAEMP CCCO[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000042422759 169310586 /nfs/dbraw/zinc/31/05/86/169310586.db2.gz KUYPRTTZEVAHGC-CYBMUJFWSA-N 2 1 226.364 1.629 10 0 BDAEMP CCC[NH2+][C@H]1CCOC[C@H]1n1c[nH+]c(C)c1C ZINC000051926623 169291359 /nfs/dbraw/zinc/29/13/59/169291359.db2.gz FBNGDGURXUQTOG-QWHCGFSZSA-N 2 1 237.347 1.830 10 0 BDAEMP c1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC000068576372 384000209 /nfs/dbraw/zinc/00/02/09/384000209.db2.gz WMBIHXDBQAGHSA-ZDUSSCGKSA-N 2 1 216.328 1.728 10 0 BDAEMP CC(C)[C@](C)(O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310502338 384180607 /nfs/dbraw/zinc/18/06/07/384180607.db2.gz JOOYNJORTYYOJM-ZIAGYGMSSA-N 2 1 240.391 1.421 10 0 BDAEMP CC(C)[C@](C)(O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310502338 384180618 /nfs/dbraw/zinc/18/06/18/384180618.db2.gz JOOYNJORTYYOJM-ZIAGYGMSSA-N 2 1 240.391 1.421 10 0 BDAEMP CC(C)[C@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000310502338 384180625 /nfs/dbraw/zinc/18/06/25/384180625.db2.gz JOOYNJORTYYOJM-ZIAGYGMSSA-N 2 1 240.391 1.421 10 0 BDAEMP COC1(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000319225149 384214473 /nfs/dbraw/zinc/21/44/73/384214473.db2.gz UGTRSKWHGFIZAV-XQQFMLRXSA-N 2 1 238.375 1.615 10 0 BDAEMP CCC1(C[NH3+])C[NH+](Cc2ccccc2)C1 ZINC000097757575 384276012 /nfs/dbraw/zinc/27/60/12/384276012.db2.gz DOINSPZSOPHDFI-UHFFFAOYSA-N 2 1 204.317 1.857 10 0 BDAEMP Cc1ccc(N(C)C[C@H]2CC[NH2+]C2)[nH+]c1 ZINC000095071209 384339410 /nfs/dbraw/zinc/33/94/10/384339410.db2.gz YXEHOIUSTPYSFF-NSHDSACASA-N 2 1 205.305 1.436 10 0 BDAEMP Cn1nccc1[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C1CC1 ZINC000159907575 384370060 /nfs/dbraw/zinc/37/00/60/384370060.db2.gz CLQJJIMBCJTEAB-MFKMUULPSA-N 2 1 234.347 1.294 10 0 BDAEMP Cn1nccc1[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CC1 ZINC000159907575 384370064 /nfs/dbraw/zinc/37/00/64/384370064.db2.gz CLQJJIMBCJTEAB-MFKMUULPSA-N 2 1 234.347 1.294 10 0 BDAEMP COC[C@H](C)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000300232874 384827932 /nfs/dbraw/zinc/82/79/32/384827932.db2.gz IPGWCSUFAGNMFG-NEPJUHHUSA-N 2 1 214.353 1.343 10 0 BDAEMP CC[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000303987905 385074213 /nfs/dbraw/zinc/07/42/13/385074213.db2.gz JOYHFCVKMGWIEG-ZDUSSCGKSA-N 2 1 226.364 1.318 10 0 BDAEMP Cc1c(C[NH2+][C@H](C)CC[NH+](C)C)cnn1C ZINC000086552020 385027292 /nfs/dbraw/zinc/02/72/92/385027292.db2.gz BZIOVEJQBLXTKQ-SNVBAGLBSA-N 2 1 224.352 1.158 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000259302429 385179654 /nfs/dbraw/zinc/17/96/54/385179654.db2.gz KEQUKSIEDQJMQV-RXMQYKEDSA-N 2 1 235.150 1.859 10 0 BDAEMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000183100071 385508332 /nfs/dbraw/zinc/50/83/32/385508332.db2.gz HUJJEEFBVASECJ-RWMBFGLXSA-N 2 1 226.364 1.628 10 0 BDAEMP C[NH2+]C[C@H]1CCCC[N@@H+]1[C@@H]1CCSC1 ZINC000063166726 386329086 /nfs/dbraw/zinc/32/90/86/386329086.db2.gz CHEOXOMGKHTHHS-GHMZBOCLSA-N 2 1 214.378 1.566 10 0 BDAEMP C[NH2+]C[C@H]1CCCC[N@H+]1[C@@H]1CCSC1 ZINC000063166726 386329093 /nfs/dbraw/zinc/32/90/93/386329093.db2.gz CHEOXOMGKHTHHS-GHMZBOCLSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCOCC1 ZINC000396571937 386781922 /nfs/dbraw/zinc/78/19/22/386781922.db2.gz AWSFAMYQHODNIJ-GVXVVHGQSA-N 2 1 226.364 1.532 10 0 BDAEMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cncs1 ZINC000293338583 386816689 /nfs/dbraw/zinc/81/66/89/386816689.db2.gz GLHPESFARXANIO-VHSXEESVSA-N 2 1 227.377 1.991 10 0 BDAEMP CN(CC[NH3+])c1cc[nH+]c2ccsc21 ZINC000334998297 387089691 /nfs/dbraw/zinc/08/96/91/387089691.db2.gz RDYJWYVVJGMNJS-UHFFFAOYSA-N 2 1 207.302 1.691 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000306445655 387164988 /nfs/dbraw/zinc/16/49/88/387164988.db2.gz QZGVGLCNNAOBLE-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CCC[C@H]([NH3+])C1 ZINC000306445655 387164993 /nfs/dbraw/zinc/16/49/93/387164993.db2.gz QZGVGLCNNAOBLE-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@@H](N)C[N@H+]1[C@H]1CCCSC1 ZINC000575590988 387203436 /nfs/dbraw/zinc/20/34/36/387203436.db2.gz IOYITDIOMCNVOG-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1[C@H]1CCCSC1 ZINC000575590988 387203443 /nfs/dbraw/zinc/20/34/43/387203443.db2.gz IOYITDIOMCNVOG-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])C[C@H]2C)CS1 ZINC000575593055 387221330 /nfs/dbraw/zinc/22/13/30/387221330.db2.gz VMGHHFNQADQFJQ-IMSYWVGJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])C[C@H]2C)CS1 ZINC000575593055 387221334 /nfs/dbraw/zinc/22/13/34/387221334.db2.gz VMGHHFNQADQFJQ-IMSYWVGJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CSC[C@@H]1C ZINC000575592978 387222117 /nfs/dbraw/zinc/22/21/17/387222117.db2.gz ZLKKSUPHWCQMDX-IVZWLZJFSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CSC[C@@H]1C ZINC000575592978 387222120 /nfs/dbraw/zinc/22/21/20/387222120.db2.gz ZLKKSUPHWCQMDX-IVZWLZJFSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1C[NH2+][C@]2(CC[NH2+]C(C)(C)C2)S1 ZINC000575512285 387384071 /nfs/dbraw/zinc/38/40/71/387384071.db2.gz MAEQFNWOKWLNSB-WCBMZHEXSA-N 2 1 200.351 1.570 10 0 BDAEMP c1cn2c([nH+]1)C[C@@H](C[NH2+]CC1CC1)CC2 ZINC000368435563 387352362 /nfs/dbraw/zinc/35/23/62/387352362.db2.gz SVDORALRAGPXFV-NSHDSACASA-N 2 1 205.305 1.445 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cscn1 ZINC000643512561 387597140 /nfs/dbraw/zinc/59/71/40/387597140.db2.gz ZHXMUIDUBVPHRJ-AEJSXWLSSA-N 2 1 225.361 1.921 10 0 BDAEMP C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1(C)[NH3+] ZINC000575562193 387700724 /nfs/dbraw/zinc/70/07/24/387700724.db2.gz YYYPAMRIHZJRRD-YPMHNXCESA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]1(C)[NH3+] ZINC000575562193 387700726 /nfs/dbraw/zinc/70/07/26/387700726.db2.gz YYYPAMRIHZJRRD-YPMHNXCESA-N 2 1 204.317 1.998 10 0 BDAEMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129110938 387763890 /nfs/dbraw/zinc/76/38/90/387763890.db2.gz PMHVNMUJBZTBTL-KGLIPLIRSA-N 2 1 241.423 1.694 10 0 BDAEMP OCC[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000423004278 387826060 /nfs/dbraw/zinc/82/60/60/387826060.db2.gz JKRXGVROZMKVLR-STQMWFEESA-N 2 1 226.364 1.269 10 0 BDAEMP C(C[NH2+][C@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000423035448 387851035 /nfs/dbraw/zinc/85/10/35/387851035.db2.gz JMQOXNJUHGTQBC-RYUDHWBXSA-N 2 1 212.337 1.287 10 0 BDAEMP Cc1cccnc1CCC[NH2+][C@H]1CC[NH2+]C1 ZINC000423158739 387938113 /nfs/dbraw/zinc/93/81/13/387938113.db2.gz XDMUFLBLZZCSTQ-LBPRGKRZSA-N 2 1 219.332 1.274 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308638600 388445908 /nfs/dbraw/zinc/44/59/08/388445908.db2.gz XQYWZEZDUYWVAT-GFCCVEGCSA-N 2 1 242.407 1.857 10 0 BDAEMP Clc1c[nH+]ccc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335309346 388450232 /nfs/dbraw/zinc/45/02/32/388450232.db2.gz WTUJSKCKSMQCLO-KCJUWKMLSA-N 2 1 223.707 1.533 10 0 BDAEMP C[C@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631842928 388611015 /nfs/dbraw/zinc/61/10/15/388611015.db2.gz HMBYCCJLCRYWGS-STQMWFEESA-N 2 1 234.343 1.592 10 0 BDAEMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000274402538 132202979 /nfs/dbraw/zinc/20/29/79/132202979.db2.gz YCBYBKLOUDAXIU-QWHCGFSZSA-N 2 1 249.358 1.281 10 0 BDAEMP Cc1nccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000222228696 134330893 /nfs/dbraw/zinc/33/08/93/134330893.db2.gz DXWBJGJNMXZQAV-JQWIXIFHSA-N 2 1 234.347 1.357 10 0 BDAEMP CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000223219255 134337938 /nfs/dbraw/zinc/33/79/38/134337938.db2.gz SWGFGVCEMURISS-GRYCIOLGSA-N 2 1 214.353 1.077 10 0 BDAEMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000223865300 134343131 /nfs/dbraw/zinc/34/31/31/134343131.db2.gz OEIBJNPWABBFFY-OCCSQVGLSA-N 2 1 240.391 1.611 10 0 BDAEMP C[C@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248745830 135020500 /nfs/dbraw/zinc/02/05/00/135020500.db2.gz BBDPXRVRUBSBJY-WSOGJNRSSA-N 2 1 240.391 1.608 10 0 BDAEMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCC[C@H]1O ZINC000250347925 135053056 /nfs/dbraw/zinc/05/30/56/135053056.db2.gz HNZZRMZYWVCUBL-NWDGAFQWSA-N 2 1 214.353 1.173 10 0 BDAEMP CC(C)C[C@@H]([NH3+])CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000251419449 135069608 /nfs/dbraw/zinc/06/96/08/135069608.db2.gz PMGVUMFEERJODY-QWHCGFSZSA-N 2 1 227.396 1.243 10 0 BDAEMP Cc1ccncc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261545599 135149319 /nfs/dbraw/zinc/14/93/19/135149319.db2.gz GBQIHWWLNBWZFX-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1ccncc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261545599 135149320 /nfs/dbraw/zinc/14/93/20/135149320.db2.gz GBQIHWWLNBWZFX-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)nc1 ZINC000261550621 135188902 /nfs/dbraw/zinc/18/89/02/135188902.db2.gz LHFGRHUTDMNJSS-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)nc1 ZINC000261550621 135188903 /nfs/dbraw/zinc/18/89/03/135188903.db2.gz LHFGRHUTDMNJSS-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC000262191651 135284629 /nfs/dbraw/zinc/28/46/29/135284629.db2.gz YRNRDMVSOLSFLD-AAEUAGOBSA-N 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VZEQVSXCNWLRNF-VIFPVBQESA-N 2 1 239.388 1.972 10 0 BDAEMP Cc1cc(N(C)CC(C)(C)[NH3+])nc(C)[nH+]1 ZINC000656609644 411308675 /nfs/dbraw/zinc/30/86/75/411308675.db2.gz RPNKFFQXAJJWPZ-UHFFFAOYSA-N 2 1 208.309 1.267 10 0 BDAEMP CN(C)[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000062965963 411334671 /nfs/dbraw/zinc/33/46/71/411334671.db2.gz AKOIYMAUESWPIC-ZDUSSCGKSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CC[C@@H]1[NH3+] ZINC000122974374 411436305 /nfs/dbraw/zinc/43/63/05/411436305.db2.gz KIRBANQEYDGZJD-RYUDHWBXSA-N 2 1 234.347 1.657 10 0 BDAEMP CC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000037756832 170009777 /nfs/dbraw/zinc/00/97/77/170009777.db2.gz UTZPEYHPMSAYBN-LBPRGKRZSA-N 2 1 234.347 1.847 10 0 BDAEMP CC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000037756832 170009779 /nfs/dbraw/zinc/00/97/79/170009779.db2.gz UTZPEYHPMSAYBN-LBPRGKRZSA-N 2 1 234.347 1.847 10 0 BDAEMP CCNC(=O)C[N@@H+](CC)Cc1ccc(C[NH3+])cc1 ZINC000042367759 170057404 /nfs/dbraw/zinc/05/74/04/170057404.db2.gz CDANFVOCTCPFKV-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CC[NH2+]CCCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942472 170112647 /nfs/dbraw/zinc/11/26/47/170112647.db2.gz QMJFQMNBNOWQKW-CQSZACIVSA-N 2 1 239.407 1.546 10 0 BDAEMP CC[NH2+]CCC[C@@H](C)[N@H+]1CCN(CC)[C@H](C)C1 ZINC000104140289 170113050 /nfs/dbraw/zinc/11/30/50/170113050.db2.gz CLQCEBACEHOJRF-ZIAGYGMSSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[NH2+]Cc1occc1C[N@H+]1CCCOCC1 ZINC000061935789 170133042 /nfs/dbraw/zinc/13/30/42/170133042.db2.gz PPOMBRAWJMSTPM-UHFFFAOYSA-N 2 1 238.331 1.611 10 0 BDAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1C ZINC000104193749 170166898 /nfs/dbraw/zinc/16/68/98/170166898.db2.gz AKSNHMJMMMDSGU-JSGCOSHPSA-N 2 1 240.391 1.733 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@H]1N1CCC[N@@H+](C)CC1 ZINC000043818337 170167184 /nfs/dbraw/zinc/16/71/84/170167184.db2.gz HLTLZXRCLWOTFQ-QWHCGFSZSA-N 2 1 225.380 1.155 10 0 BDAEMP Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000133595173 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CC[C@@H]1COCC[N@H+]1C[C@]1(CC)CCC[NH2+]C1 ZINC000062862117 171106405 /nfs/dbraw/zinc/10/64/05/171106405.db2.gz GGJDSFBMKOGBRQ-ZIAGYGMSSA-N 2 1 240.391 1.877 10 0 BDAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1C1CCC([NH3+])CC1 ZINC000055144492 171111934 /nfs/dbraw/zinc/11/19/34/171111934.db2.gz CBAQXXIBQGJAJX-CQLXCSJHSA-N 2 1 226.364 1.756 10 0 BDAEMP CC[C@H](C)[C@H](C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000042602970 171391865 /nfs/dbraw/zinc/39/18/65/171391865.db2.gz WBWSRJCQQMXQDN-AVGNSLFASA-N 2 1 246.395 1.343 10 0 BDAEMP CC[C@H](C)[C@H](C[NH3+])[N@@H+](CCOC)[C@@H](C)COC ZINC000042602970 171391867 /nfs/dbraw/zinc/39/18/67/171391867.db2.gz WBWSRJCQQMXQDN-AVGNSLFASA-N 2 1 246.395 1.343 10 0 BDAEMP C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000665236913 412176882 /nfs/dbraw/zinc/17/68/82/412176882.db2.gz WHVFBWJWBNQOHF-XQQFMLRXSA-N 2 1 239.407 1.447 10 0 BDAEMP CCn1cc[nH+]c1N1CCCC[C@H]1C[NH3+] ZINC000050614398 172225606 /nfs/dbraw/zinc/22/56/06/172225606.db2.gz RYESGDBRBDWXIM-JTQLQIEISA-N 2 1 208.309 1.221 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1(CO)CCCC1 ZINC000053069219 173005352 /nfs/dbraw/zinc/00/53/52/173005352.db2.gz PCTFNPZMKXUKQN-CYBMUJFWSA-N 2 1 240.391 1.756 10 0 BDAEMP C[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062569208 173019393 /nfs/dbraw/zinc/01/93/93/173019393.db2.gz NCXCSRLTYBSEOD-CYBMUJFWSA-N 2 1 204.317 1.523 10 0 BDAEMP C[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062569208 173019395 /nfs/dbraw/zinc/01/93/95/173019395.db2.gz NCXCSRLTYBSEOD-CYBMUJFWSA-N 2 1 204.317 1.523 10 0 BDAEMP C[N@@H+]1CCC[C@H](CNc2[nH+]cccc2N)C1 ZINC000044535715 173041459 /nfs/dbraw/zinc/04/14/59/173041459.db2.gz ODSXCGFVZIXCHC-SNVBAGLBSA-N 2 1 220.320 1.418 10 0 BDAEMP C[N@H+]1CCC[C@H](CNc2[nH+]cccc2N)C1 ZINC000044535715 173041461 /nfs/dbraw/zinc/04/14/61/173041461.db2.gz ODSXCGFVZIXCHC-SNVBAGLBSA-N 2 1 220.320 1.418 10 0 BDAEMP CN(c1ccc(CC[NH3+])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000104278120 173043562 /nfs/dbraw/zinc/04/35/62/173043562.db2.gz HDHXNPJONFQRGI-HNNXBMFYSA-N 2 1 247.386 1.718 10 0 BDAEMP C[N@H+]1CCC[C@H]1CCOCc1occc1C[NH3+] ZINC000052673257 173052979 /nfs/dbraw/zinc/05/29/79/173052979.db2.gz BEUKHSDGZIFKHF-LBPRGKRZSA-N 2 1 238.331 1.739 10 0 BDAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=[NH2+])Nc1ccccc1 ZINC000071190779 173143893 /nfs/dbraw/zinc/14/38/93/173143893.db2.gz APKRGLFCTBGAFN-LBPRGKRZSA-N 2 1 246.358 1.917 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2CCCOCC2)CCCC1 ZINC000061934501 173337646 /nfs/dbraw/zinc/33/76/46/173337646.db2.gz FIAFSOKDRRUTRT-UHFFFAOYSA-N 2 1 226.364 1.489 10 0 BDAEMP C[NH2+]CC1(C[N@@H+](C)C[C@@H]2C[C@@H]2C)CCOCC1 ZINC000104426976 173337851 /nfs/dbraw/zinc/33/78/51/173337851.db2.gz VTQKSXHILCSAMH-STQMWFEESA-N 2 1 240.391 1.590 10 0 BDAEMP C[NH2+]CCNCCC[N@H+]1CCCC[C@H]1C ZINC000049477755 173355938 /nfs/dbraw/zinc/35/59/38/173355938.db2.gz ORIVOTMPOARHED-GFCCVEGCSA-N 2 1 213.369 1.060 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000098210291 173369669 /nfs/dbraw/zinc/36/96/69/173369669.db2.gz IHKBPCQCLHTOOZ-RYUDHWBXSA-N 2 1 205.305 1.294 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000098210291 173369671 /nfs/dbraw/zinc/36/96/71/173369671.db2.gz IHKBPCQCLHTOOZ-RYUDHWBXSA-N 2 1 205.305 1.294 10 0 BDAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCCSCC2)O1 ZINC000052371143 173371687 /nfs/dbraw/zinc/37/16/87/173371687.db2.gz CMNDKPCGKQOTPR-RYUDHWBXSA-N 2 1 244.404 1.192 10 0 BDAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCCSCC2)O1 ZINC000052371141 173371996 /nfs/dbraw/zinc/37/19/96/173371996.db2.gz CMNDKPCGKQOTPR-NWDGAFQWSA-N 2 1 244.404 1.192 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](CCCCn2ccnc2)C1 ZINC000053034310 173380890 /nfs/dbraw/zinc/38/08/90/173380890.db2.gz ZSOAMYDYZXSHPN-CYBMUJFWSA-N 3 1 236.363 1.205 10 0 BDAEMP C[NH2+]C[C@]1(C[N@@H+](C)CC2CCC2)CCCOC1 ZINC000104318766 173383932 /nfs/dbraw/zinc/38/39/32/173383932.db2.gz CQRPBVGKBURQCV-AWEZNQCLSA-N 2 1 240.391 1.735 10 0 BDAEMP C[NH2+]Cc1occc1C[N@H+]1CC[C@H](C)C1 ZINC000052484431 173399933 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/nfs/dbraw/zinc/39/29/48/174392948.db2.gz ODSRVEWUFCUWIQ-OAHLLOKOSA-N 2 1 248.370 1.799 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2CCC([NH3+])CC2)CCO1 ZINC000037482382 176285920 /nfs/dbraw/zinc/28/59/20/176285920.db2.gz PVOMQSQQSFECED-VOMCLLRMSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC[N@H+]2C)S1 ZINC000044563802 176324442 /nfs/dbraw/zinc/32/44/42/176324442.db2.gz QBKGGEXBVYVDPG-ZJUUUORDSA-N 2 1 227.377 1.552 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CCc2ccco2)C1 ZINC000049667384 176324671 /nfs/dbraw/zinc/32/46/71/176324671.db2.gz USYHIMCKIABXLF-GFCCVEGCSA-N 2 1 222.332 1.754 10 0 BDAEMP C[C@@H]1C[NH+]=C(NCC[NH+]2CCCC2)S1 ZINC000054130312 176324873 /nfs/dbraw/zinc/32/48/73/176324873.db2.gz UCLIIWMINGAWCL-SECBINFHSA-N 2 1 213.350 1.163 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)CN(C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000049666499 176329303 /nfs/dbraw/zinc/32/93/03/176329303.db2.gz PLRWBAXDEAATJT-MGPQQGTHSA-N 2 1 239.407 1.116 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C[C@@H]2CC[N@H+](C)C2)C1 ZINC000049666499 176329306 /nfs/dbraw/zinc/32/93/06/176329306.db2.gz PLRWBAXDEAATJT-MGPQQGTHSA-N 3 1 239.407 1.116 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000049666499 176329307 /nfs/dbraw/zinc/32/93/07/176329307.db2.gz PLRWBAXDEAATJT-MGPQQGTHSA-N 3 1 239.407 1.116 10 0 BDAEMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)CC[NH3+] ZINC000077334517 177038291 /nfs/dbraw/zinc/03/82/91/177038291.db2.gz WJVBVIAHNYRSIC-DGCLKSJQSA-N 2 1 222.332 1.389 10 0 BDAEMP C[C@H](c1cnn(C)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010903 177052170 /nfs/dbraw/zinc/05/21/70/177052170.db2.gz LUJHHKVZWBGCPV-LLVKDONJSA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@H]1CCC[N@@H+](Cc2cc(C[NH3+])co2)C1 ZINC000052381459 177099319 /nfs/dbraw/zinc/09/93/19/177099319.db2.gz CWWIMWJWOKWJGT-JTQLQIEISA-N 2 1 208.305 1.970 10 0 BDAEMP C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037910084 177109049 /nfs/dbraw/zinc/10/90/49/177109049.db2.gz YFRDVBVZZIUONZ-FZMZJTMJSA-N 2 1 234.343 1.663 10 0 BDAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccnc1 ZINC000042427385 177200633 /nfs/dbraw/zinc/20/06/33/177200633.db2.gz YUCCHUAENAWAOM-NWDGAFQWSA-N 2 1 219.332 1.641 10 0 BDAEMP C[C@H]1C[N@H+](CC2([NH3+])CCCCC2)CCCO1 ZINC000061934506 177245004 /nfs/dbraw/zinc/24/50/04/177245004.db2.gz ZWRRBSOYDFLENF-LBPRGKRZSA-N 2 1 226.364 1.759 10 0 BDAEMP C[C@H]1C[N@@H+](CC2([NH3+])CCCCC2)CCCO1 ZINC000061934506 177245006 /nfs/dbraw/zinc/24/50/06/177245006.db2.gz ZWRRBSOYDFLENF-LBPRGKRZSA-N 2 1 226.364 1.759 10 0 BDAEMP C[C@H]1C[N@@H+](CC(C)(C)C[NH3+])CCCO1 ZINC000061934202 177245638 /nfs/dbraw/zinc/24/56/38/177245638.db2.gz DVIKXKQUCOBMBK-JTQLQIEISA-N 2 1 200.326 1.082 10 0 BDAEMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918606 177254683 /nfs/dbraw/zinc/25/46/83/177254683.db2.gz RHDWHPUSHFLURN-STQMWFEESA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@H]1C[NH+]=C(NCC[NH+]2CCCC2)S1 ZINC000054130315 177281471 /nfs/dbraw/zinc/28/14/71/177281471.db2.gz UCLIIWMINGAWCL-VIFPVBQESA-N 2 1 213.350 1.163 10 0 BDAEMP C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000035773949 177292388 /nfs/dbraw/zinc/29/23/88/177292388.db2.gz RRKWSUQTVKFOOH-NSHDSACASA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@H]1COCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000035773949 177292389 /nfs/dbraw/zinc/29/23/89/177292389.db2.gz RRKWSUQTVKFOOH-NSHDSACASA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000235368850 177292991 /nfs/dbraw/zinc/29/29/91/177292991.db2.gz KMWGHAQLRWSNJM-GRYCIOLGSA-N 2 1 212.337 1.095 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccccn1 ZINC000049712386 177364464 /nfs/dbraw/zinc/36/44/64/177364464.db2.gz QKEDKEILPSHPDK-NWDGAFQWSA-N 2 1 219.332 1.436 10 0 BDAEMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000570515672 323061464 /nfs/dbraw/zinc/06/14/64/323061464.db2.gz NROIECFBRJLLSK-XQQFMLRXSA-N 2 1 226.364 1.079 10 0 BDAEMP Cc1cc(C[NH2+]CCC[NH+]2CCCC2)ccn1 ZINC000235821138 325289400 /nfs/dbraw/zinc/28/94/00/325289400.db2.gz QJCZOWWQWGHHKN-UHFFFAOYSA-N 2 1 233.359 1.966 10 0 BDAEMP CC(C)[N@@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567642384 326237228 /nfs/dbraw/zinc/23/72/28/326237228.db2.gz ROZRBJGAZYUOED-STQMWFEESA-N 2 1 227.396 1.304 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@H]12 ZINC000662266581 487503792 /nfs/dbraw/zinc/50/37/92/487503792.db2.gz NFBAHLQUPCDFOJ-IKKURHKOSA-N 2 1 220.360 1.702 10 0 BDAEMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CC[N@H+]1C ZINC000129982057 490528852 /nfs/dbraw/zinc/52/88/52/490528852.db2.gz SCBWFNQMDBHHAJ-AGIUHOORSA-N 2 1 226.364 1.628 10 0 BDAEMP C[N@H+](Cc1ccc(CO)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000133208235 491147692 /nfs/dbraw/zinc/14/76/92/491147692.db2.gz HSSCKKKQJKPOIO-OAHLLOKOSA-N 2 1 248.370 1.562 10 0 BDAEMP C[NH+](Cc1ccc(CO)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000133208235 491147693 /nfs/dbraw/zinc/14/76/93/491147693.db2.gz HSSCKKKQJKPOIO-OAHLLOKOSA-N 2 1 248.370 1.562 10 0 BDAEMP C[NH+](Cc1ccc(CO)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000133208235 491147694 /nfs/dbraw/zinc/14/76/94/491147694.db2.gz HSSCKKKQJKPOIO-OAHLLOKOSA-N 2 1 248.370 1.562 10 0 BDAEMP COCCC[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757125481 582499919 /nfs/dbraw/zinc/49/99/19/582499919.db2.gz DVLCYWIMVUZCGQ-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@H]1CC[C@@]2(CCC[N@H+]2CCCF)C[NH2+]1 ZINC000757125396 582500131 /nfs/dbraw/zinc/50/01/31/582500131.db2.gz DJZNJGVPDDQOAZ-RYUDHWBXSA-N 2 1 214.328 1.953 10 0 BDAEMP C[C@@H](F)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757124195 582499401 /nfs/dbraw/zinc/49/94/01/582499401.db2.gz BYRMXPLDMKPXLL-SNVBAGLBSA-N 2 1 200.301 1.562 10 0 BDAEMP COC[C@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757126730 582501643 /nfs/dbraw/zinc/50/16/43/582501643.db2.gz GWNGOZZFTJLWPD-FRRDWIJNSA-N 2 1 226.364 1.628 10 0 BDAEMP COC[C@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757126730 582501645 /nfs/dbraw/zinc/50/16/45/582501645.db2.gz GWNGOZZFTJLWPD-FRRDWIJNSA-N 2 1 226.364 1.628 10 0 BDAEMP COCC[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757128127 582502723 /nfs/dbraw/zinc/50/27/23/582502723.db2.gz IVTCAZFSRGTECI-VXGBXAGGSA-N 2 1 212.337 1.239 10 0 BDAEMP COCC[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757128127 582502725 /nfs/dbraw/zinc/50/27/25/582502725.db2.gz IVTCAZFSRGTECI-VXGBXAGGSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@H]1[NH2+]CCC[C@]12CCC[N@H+]2CCCF ZINC000757130794 582504672 /nfs/dbraw/zinc/50/46/72/582504672.db2.gz OCKQSXDDTRLZSL-NEPJUHHUSA-N 2 1 214.328 1.953 10 0 BDAEMP C1CC[C@@H]2[NH2+]C3(CC[NH2+]CC3)OC[C@@H]2C1 ZINC000757138672 582518693 /nfs/dbraw/zinc/51/86/93/582518693.db2.gz CYVQUGFXWWUVOL-QWRGUYRKSA-N 2 1 210.321 1.245 10 0 BDAEMP C[C@@H]1C[C@@H](C)OC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757148663 582532036 /nfs/dbraw/zinc/53/20/36/582532036.db2.gz NTBPWAOMGBHVDV-GHMZBOCLSA-N 2 1 224.348 1.728 10 0 BDAEMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400425272 528819077 /nfs/dbraw/zinc/81/90/77/528819077.db2.gz YITXVUWVORYLEW-QWHCGFSZSA-N 2 1 227.396 1.304 10 0 BDAEMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400425272 528819081 /nfs/dbraw/zinc/81/90/81/528819081.db2.gz YITXVUWVORYLEW-QWHCGFSZSA-N 3 1 227.396 1.304 10 0 BDAEMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400425272 528819085 /nfs/dbraw/zinc/81/90/85/528819085.db2.gz YITXVUWVORYLEW-QWHCGFSZSA-N 3 1 227.396 1.304 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400362137 528829431 /nfs/dbraw/zinc/82/94/31/528829431.db2.gz CJOXXCGROIAQQB-UPJWGTAASA-N 2 1 227.396 1.303 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H]([NH3+])CC(C)C ZINC000220960086 535589989 /nfs/dbraw/zinc/58/99/89/535589989.db2.gz NIIXHJVSBHQCOF-KBPBESRZSA-N 2 1 241.423 1.776 10 0 BDAEMP C[C@H]1CC[C@@]2(CCC[N@@H+]2CCCF)C[NH2+]1 ZINC000757125396 582500129 /nfs/dbraw/zinc/50/01/29/582500129.db2.gz DJZNJGVPDDQOAZ-RYUDHWBXSA-N 2 1 214.328 1.953 10 0 BDAEMP COCC[C@H](C)[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757125574 582500588 /nfs/dbraw/zinc/50/05/88/582500588.db2.gz FCECGHDMALYVJJ-MELADBBJSA-N 2 1 240.391 1.875 10 0 BDAEMP C[C@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCCF ZINC000757130808 582504502 /nfs/dbraw/zinc/50/45/02/582504502.db2.gz OCKQSXDDTRLZSL-VXGBXAGGSA-N 2 1 214.328 1.953 10 0 BDAEMP CCOCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757135088 582513628 /nfs/dbraw/zinc/51/36/28/582513628.db2.gz YIANCFIOXGPVIC-UONOGXRCSA-N 2 1 240.391 1.877 10 0 BDAEMP CC(C)[C@@H]1OC2(CC[NH+](C)CC2)[NH2+]CC12CC2 ZINC000757150131 582533651 /nfs/dbraw/zinc/53/36/51/582533651.db2.gz XCMOBONURINNNY-LBPRGKRZSA-N 2 1 238.375 1.833 10 0 BDAEMP CCC[C@H]1CC[NH2+][C@]2(CCC[N@@H+](C)CC2)O1 ZINC000757153321 582537556 /nfs/dbraw/zinc/53/75/56/582537556.db2.gz UPZNATRRIKLKEM-QWHCGFSZSA-N 2 1 226.364 1.977 10 0 BDAEMP CC(=O)c1cccc([C@H]2CC[NH2+][C@H](C[NH3+])C2)c1 ZINC000757213278 582560633 /nfs/dbraw/zinc/56/06/33/582560633.db2.gz JFSIJMXIVZBXBS-KBPBESRZSA-N 2 1 232.327 1.684 10 0 BDAEMP FC1(C[NH2+][C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000394463747 582978008 /nfs/dbraw/zinc/97/80/08/582978008.db2.gz JFNAYGCCJDRTLI-VIFPVBQESA-N 2 1 209.268 1.290 10 0 BDAEMP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399007990 583169108 /nfs/dbraw/zinc/16/91/08/583169108.db2.gz VMHLOSVIRCHGCK-LBPRGKRZSA-N 2 1 240.391 1.611 10 0 BDAEMP CC(=O)c1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])cc1 ZINC000757209855 586438457 /nfs/dbraw/zinc/43/84/57/586438457.db2.gz DGRIRFWPDBKPHF-STQMWFEESA-N 2 1 218.300 1.293 10 0 BDAEMP CC(=O)c1ccc([C@@H]2CC[C@@H](C[NH3+])[NH2+]C2)cc1 ZINC000757215400 586440762 /nfs/dbraw/zinc/44/07/62/586440762.db2.gz NJSNLLNRFBCQGS-KGLIPLIRSA-N 2 1 232.327 1.684 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]CC[C@H]1c1cccc2cc[nH]c21 ZINC000757217119 586441160 /nfs/dbraw/zinc/44/11/60/586441160.db2.gz RHZGYLSYUNJAPZ-CMPLNLGQSA-N 2 1 215.300 1.572 10 0 BDAEMP C[C@H]1C[N@H+](CCc2cccs2)C[C@H]1[NH3+] ZINC000300050292 592501245 /nfs/dbraw/zinc/50/12/45/592501245.db2.gz YJAKJTKXJJIJDR-GXSJLCMTSA-N 2 1 210.346 1.570 10 0 BDAEMP C[C@H]1C[N@@H+](CCc2cccs2)C[C@H]1[NH3+] ZINC000300050292 592501249 /nfs/dbraw/zinc/50/12/49/592501249.db2.gz YJAKJTKXJJIJDR-GXSJLCMTSA-N 2 1 210.346 1.570 10 0 BDAEMP Cc1c(C[N@@H+](C)C2CCC([NH3+])CC2)cnn1C ZINC000093651424 634578137 /nfs/dbraw/zinc/57/81/37/634578137.db2.gz RDXLTUPCHSYQPZ-UHFFFAOYSA-N 2 1 236.363 1.430 10 0 BDAEMP C[N@@H+](C[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250454974 635698056 /nfs/dbraw/zinc/69/80/56/635698056.db2.gz WIVZMAMJSFPVBS-ZGVCCVRISA-N 2 1 224.348 1.380 10 0 BDAEMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000309402668 633018736 /nfs/dbraw/zinc/01/87/36/633018736.db2.gz JHBQYCSCXGZYJV-JHJVBQTASA-N 2 1 226.364 1.221 10 0 BDAEMP Cc1c[nH+]ccc1NCC[NH+]1CCC([NH3+])CC1 ZINC000321291185 636620450 /nfs/dbraw/zinc/62/04/50/636620450.db2.gz IRDLWULKRMCKRN-UHFFFAOYSA-N 3 1 234.347 1.225 10 0 BDAEMP C[C@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000035776916 639923487 /nfs/dbraw/zinc/92/34/87/639923487.db2.gz BBZVDTFWSPTANJ-NSHDSACASA-N 2 1 200.326 1.226 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132689 643257387 /nfs/dbraw/zinc/25/73/87/643257387.db2.gz RPUHSDKTTIIYPQ-MCIONIFRSA-N 2 1 240.391 1.733 10 0 BDAEMP Cc1cc(NCC2CC([NH3+])C2)nc(C)[nH+]1 ZINC000084447936 643663577 /nfs/dbraw/zinc/66/35/77/643663577.db2.gz GLODSSYLLBXEHR-UHFFFAOYSA-N 2 1 206.293 1.243 10 0 BDAEMP C([C@@H]1CCCO1)[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250850966 644783891 /nfs/dbraw/zinc/78/38/91/644783891.db2.gz OERPJYRKGYWBIQ-MJBXVCDLSA-N 2 1 238.375 1.772 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250850966 644783897 /nfs/dbraw/zinc/78/38/97/644783897.db2.gz OERPJYRKGYWBIQ-MJBXVCDLSA-N 2 1 238.375 1.772 10 0 BDAEMP C[C@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1[NH3+] ZINC000714905730 712499246 /nfs/dbraw/zinc/49/92/46/712499246.db2.gz DEEHJIBPMHMPLX-RYDUCSDGSA-N 2 1 208.349 1.702 10 0 BDAEMP C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1[NH3+] ZINC000714905730 712499247 /nfs/dbraw/zinc/49/92/47/712499247.db2.gz DEEHJIBPMHMPLX-RYDUCSDGSA-N 2 1 208.349 1.702 10 0 BDAEMP C[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719873056 712824843 /nfs/dbraw/zinc/82/48/43/712824843.db2.gz ONUJMEFTHBMYNM-ZJUUUORDSA-N 2 1 225.361 1.212 10 0 BDAEMP CN(C)c1nc(N2C3CCC2(C[NH3+])CC3)cc[nH+]1 ZINC000722986061 711493546 /nfs/dbraw/zinc/49/35/46/711493546.db2.gz JSLRUAQOOAVQGR-UHFFFAOYSA-N 2 1 247.346 1.003 10 0 BDAEMP CC(C)[N@@H+](CCC(N)=O)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244673632 711841899 /nfs/dbraw/zinc/84/18/99/711841899.db2.gz HSWUNAYQXCGCDC-TXEJJXNPSA-N 2 1 241.379 1.090 10 0 BDAEMP C[NH+]1C[C@@]2(C)C[NH+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000706257405 712142583 /nfs/dbraw/zinc/14/25/83/712142583.db2.gz SPKABRCRXUVSJF-STQMWFEESA-N 2 1 238.375 1.175 10 0 BDAEMP Cc1ccccc1OCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708841592 712200828 /nfs/dbraw/zinc/20/08/28/712200828.db2.gz UFHSLZLURUIKSD-KBPBESRZSA-N 2 1 248.370 1.900 10 0 BDAEMP C=C/C=C\CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000713735417 712470790 /nfs/dbraw/zinc/47/07/90/712470790.db2.gz NYZJAHMDNJTXCX-XYOLNXMOSA-N 2 1 206.333 1.788 10 0 BDAEMP COCC1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000713930067 712473843 /nfs/dbraw/zinc/47/38/43/712473843.db2.gz ZIWZTEFOFROODK-IGJPJIBNSA-N 2 1 226.364 1.484 10 0 BDAEMP COCC1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000713930067 712473845 /nfs/dbraw/zinc/47/38/45/712473845.db2.gz ZIWZTEFOFROODK-IGJPJIBNSA-N 2 1 226.364 1.484 10 0 BDAEMP COCC1CC([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000713976394 712475614 /nfs/dbraw/zinc/47/56/14/712475614.db2.gz FJQPJWPNDMHTTK-XKGSQUFQSA-N 2 1 212.337 1.142 10 0 BDAEMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cnn(C)c2)CC1 ZINC000714757645 712497570 /nfs/dbraw/zinc/49/75/70/712497570.db2.gz JCVZLURSEJNJKD-NSHDSACASA-N 2 1 236.363 1.684 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)nn1 ZINC000720578098 712853587 /nfs/dbraw/zinc/85/35/87/712853587.db2.gz BBDBBEMROFIVSI-IACUBPJLSA-N 2 1 246.358 1.263 10 0 BDAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@@]12CCSC2 ZINC000685955273 538900346 /nfs/dbraw/zinc/90/03/46/538900346.db2.gz XBOXELUUXRIFIF-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(C2CC2)c1 ZINC000685965916 538910561 /nfs/dbraw/zinc/91/05/61/538910561.db2.gz YTIANQNGSSCAPK-KBPBESRZSA-N 2 1 216.328 1.968 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CCn1cnc(N)c1 ZINC000685964206 538911178 /nfs/dbraw/zinc/91/11/78/538911178.db2.gz NOBICLVLYJDTEM-JTQLQIEISA-N 2 1 208.309 1.340 10 0 BDAEMP Cc1cc(F)ccc1[C@@H]1C[NH2+]C[C@@]1(C)[NH3+] ZINC000685965377 538911722 /nfs/dbraw/zinc/91/17/22/538911722.db2.gz BTSFVHGSEUQMQC-NWDGAFQWSA-N 2 1 208.280 1.538 10 0 BDAEMP COc1cc(F)cc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965409 538911728 /nfs/dbraw/zinc/91/17/28/538911728.db2.gz CNGIMDZQZDIPOE-RYUDHWBXSA-N 2 1 224.279 1.239 10 0 BDAEMP Cc1ccc(F)c([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965734 538912451 /nfs/dbraw/zinc/91/24/51/538912451.db2.gz QHAPFTDTEDQCPS-ZYHUDNBSSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1ccc(F)c([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965731 538912571 /nfs/dbraw/zinc/91/25/71/538912571.db2.gz QHAPFTDTEDQCPS-CMPLNLGQSA-N 2 1 208.280 1.538 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(F)c1F ZINC000685965903 538912980 /nfs/dbraw/zinc/91/29/80/538912980.db2.gz YLCMXWWJKJLFRH-GZMMTYOYSA-N 2 1 212.243 1.369 10 0 BDAEMP CC(C)C[C@@H](C[NH3+])[N@@H+]1CCCO[C@H](C)C1 ZINC000061916106 187322123 /nfs/dbraw/zinc/32/21/23/187322123.db2.gz GHFAOCHTHSKLGR-NEPJUHHUSA-N 2 1 214.353 1.471 10 0 BDAEMP CC(C)C[C@@H](C[NH3+])[N@H+]1CCCO[C@H](C)C1 ZINC000061916106 187322125 /nfs/dbraw/zinc/32/21/25/187322125.db2.gz GHFAOCHTHSKLGR-NEPJUHHUSA-N 2 1 214.353 1.471 10 0 BDAEMP C[NH2+]C[C@@H](C)[N@@H+]1CCSCC[C@@H]1C ZINC000306641085 361750688 /nfs/dbraw/zinc/75/06/88/361750688.db2.gz PZYYIHMONDYMBE-VHSXEESVSA-N 2 1 202.367 1.422 10 0 BDAEMP C[NH2+]C[C@@H](C)[N@H+]1CCSCC[C@@H]1C ZINC000306641085 361750693 /nfs/dbraw/zinc/75/06/93/361750693.db2.gz PZYYIHMONDYMBE-VHSXEESVSA-N 2 1 202.367 1.422 10 0 BDAEMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCCC1(F)F ZINC000381724258 398254807 /nfs/dbraw/zinc/25/48/07/398254807.db2.gz RYIHNJBEZGSRDP-ZJUUUORDSA-N 2 1 236.306 1.063 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378756791 346824885 /nfs/dbraw/zinc/82/48/85/346824885.db2.gz YMSOLVLADSQKEY-FVCCEPFGSA-N 2 1 224.348 1.380 10 0 BDAEMP CCC(CC)NC(=O)C[N@H+](CC)C[C@@H](C)C[NH3+] ZINC000042443254 168377037 /nfs/dbraw/zinc/37/70/37/168377037.db2.gz IFUHTZPTDYGBQI-NSHDSACASA-N 2 1 243.395 1.208 10 0 BDAEMP CCC(CC)NC(=O)C[N@@H+](CC)C[C@@H](C)C[NH3+] ZINC000042443254 168377038 /nfs/dbraw/zinc/37/70/38/168377038.db2.gz IFUHTZPTDYGBQI-NSHDSACASA-N 2 1 243.395 1.208 10 0 BDAEMP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455852 168381495 /nfs/dbraw/zinc/38/14/95/168381495.db2.gz QOPLCPZIXJUHSU-WDEREUQCSA-N 2 1 243.395 1.206 10 0 BDAEMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455852 168381497 /nfs/dbraw/zinc/38/14/97/168381497.db2.gz QOPLCPZIXJUHSU-WDEREUQCSA-N 2 1 243.395 1.206 10 0 BDAEMP CCC(CC)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000308946107 168392975 /nfs/dbraw/zinc/39/29/75/168392975.db2.gz NTIYALIAIAQIFG-LLVKDONJSA-N 2 1 207.321 1.976 10 0 BDAEMP CC(C)[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000380277770 538988674 /nfs/dbraw/zinc/98/86/74/538988674.db2.gz YBDBJKBPAMSFFX-NSHDSACASA-N 2 1 214.353 1.077 10 0 BDAEMP c1cn2c([nH+]1)C[C@@H](C[NH2+]C1CSC1)CC2 ZINC000380113264 538985435 /nfs/dbraw/zinc/98/54/35/538985435.db2.gz OUPLPLFIJSYOGQ-VIFPVBQESA-N 2 1 223.345 1.151 10 0 BDAEMP CC1(C[NH2+][C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000381258949 538997198 /nfs/dbraw/zinc/99/71/98/538997198.db2.gz RLPDTGSZYYWQFM-NSHDSACASA-N 2 1 219.332 1.978 10 0 BDAEMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000390511499 539022891 /nfs/dbraw/zinc/02/28/91/539022891.db2.gz ZRGZWEWTCXAPLN-WOPDTQHZSA-N 2 1 219.332 1.976 10 0 BDAEMP C[N@H+]1CCC[C@@]2(CC1)NCCc1occc12 ZINC000709974861 539027947 /nfs/dbraw/zinc/02/79/47/539027947.db2.gz FYTDNAMVLGKSRS-ZDUSSCGKSA-N 2 1 220.316 1.736 10 0 BDAEMP CC(C)[N@@H+](CC(N)=O)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000042428601 187265680 /nfs/dbraw/zinc/26/56/80/187265680.db2.gz GIAOHIQJFJLJAB-NEPJUHHUSA-N 2 1 241.379 1.090 10 0 BDAEMP CC(C)[N@H+]1CC[C@@](C[NH3+])(N2CCC[C@H]2C)C1 ZINC000045658692 187269383 /nfs/dbraw/zinc/26/93/83/187269383.db2.gz VKUAMUAJVMKIDF-OLZOCXBDSA-N 2 1 225.380 1.282 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](CCc2cccnc2)[C@H](C)C1 ZINC000049712945 187270202 /nfs/dbraw/zinc/27/02/02/187270202.db2.gz TXTVWPZNKBWFNR-TZMCWYRMSA-N 2 1 233.359 1.696 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2cccnc2)[C@H](C)C1 ZINC000049712945 187270203 /nfs/dbraw/zinc/27/02/03/187270203.db2.gz TXTVWPZNKBWFNR-TZMCWYRMSA-N 2 1 233.359 1.696 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CN1CCCC1 ZINC000049330435 187270406 /nfs/dbraw/zinc/27/04/06/187270406.db2.gz IKCVBAYENFLBCY-LBPRGKRZSA-N 2 1 236.363 1.265 10 0 BDAEMP CN([C@@H]1CCC[N@@H+](C)C1)[C@@](C)(C[NH3+])C1CC1 ZINC000053205958 187271609 /nfs/dbraw/zinc/27/16/09/187271609.db2.gz IPHNKAYTLHIXTC-OLZOCXBDSA-N 2 1 225.380 1.140 10 0 BDAEMP CN(C[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245396 187271161 /nfs/dbraw/zinc/27/11/61/187271161.db2.gz MNWWOGQJQFRRRW-QWHCGFSZSA-N 2 1 225.380 1.155 10 0 BDAEMP CN(CC1([NH3+])CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053247627 187271421 /nfs/dbraw/zinc/27/14/21/187271421.db2.gz ILXVEOGVOUGCET-GFCCVEGCSA-N 2 1 225.380 1.284 10 0 BDAEMP CN([C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]C1 ZINC000054135153 187272244 /nfs/dbraw/zinc/27/22/44/187272244.db2.gz IGRFCTBGUKBCNN-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP CC(C)[C@H](CNC[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000054240294 187271828 /nfs/dbraw/zinc/27/18/28/187271828.db2.gz KCZFIPFRVMPFHJ-KGLIPLIRSA-N 2 1 241.423 1.647 10 0 BDAEMP CC(C)[C@H](CNC[C@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000054240294 187271830 /nfs/dbraw/zinc/27/18/30/187271830.db2.gz KCZFIPFRVMPFHJ-KGLIPLIRSA-N 2 1 241.423 1.647 10 0 BDAEMP FC(F)[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409427158 343799981 /nfs/dbraw/zinc/79/99/81/343799981.db2.gz JSJDAUQTRGRWPM-QMMMGPOBSA-N 2 1 204.264 1.325 10 0 BDAEMP CCOC[C@@H]1C[N@@H+](CCC[NH3+])CC12CCCC2 ZINC000409433362 343832268 /nfs/dbraw/zinc/83/22/68/343832268.db2.gz MPTLJRUTTWFAAO-ZDUSSCGKSA-N 2 1 240.391 1.864 10 0 BDAEMP CC(C)C[C@H]1C[N@@H+](CCC[NH3+])CC[C@H]1O ZINC000409435540 343833804 /nfs/dbraw/zinc/83/38/04/343833804.db2.gz VIWHNHDQQDTRCI-NWDGAFQWSA-N 2 1 214.353 1.064 10 0 BDAEMP COC[C@]12CCC[C@H]1C[N@@H+](CCC[NH3+])C2 ZINC000409436262 343838228 /nfs/dbraw/zinc/83/82/28/343838228.db2.gz YXFZTBPJGIGWEJ-NWDGAFQWSA-N 2 1 212.337 1.084 10 0 BDAEMP CNc1cc(-c2ccc(C[NH3+])cc2)[nH+]c(N)n1 ZINC000209419202 343839279 /nfs/dbraw/zinc/83/92/79/343839279.db2.gz KEMMMWFUYNLPFU-UHFFFAOYSA-N 2 1 229.287 1.226 10 0 BDAEMP CC[C@@H](C[NH3+])[N@@H+]1CCSC(C)(C)C1 ZINC000135210290 343967445 /nfs/dbraw/zinc/96/74/45/343967445.db2.gz LTTHYEGSDDZDKJ-VIFPVBQESA-N 2 1 202.367 1.551 10 0 BDAEMP CC[C@@H](C[NH3+])[N@H+]1CCSC(C)(C)C1 ZINC000135210290 343967446 /nfs/dbraw/zinc/96/74/46/343967446.db2.gz LTTHYEGSDDZDKJ-VIFPVBQESA-N 2 1 202.367 1.551 10 0 BDAEMP CN(c1ccc(CC[NH3+])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000104278125 187292083 /nfs/dbraw/zinc/29/20/83/187292083.db2.gz HDHXNPJONFQRGI-OAHLLOKOSA-N 2 1 247.386 1.718 10 0 BDAEMP CS[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000235122364 344804391 /nfs/dbraw/zinc/80/43/91/344804391.db2.gz WGHFUQMXIFQCRP-GARJFASQSA-N 2 1 214.378 1.551 10 0 BDAEMP C(C[N@H+]1CCCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000051919560 187299036 /nfs/dbraw/zinc/29/90/36/187299036.db2.gz JDQABHMQUWJCGB-LBPRGKRZSA-N 2 1 228.405 1.815 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000634998601 345198420 /nfs/dbraw/zinc/19/84/20/345198420.db2.gz IFVKXWFXJCPTSG-MXWKQRLJSA-N 2 1 214.378 1.266 10 0 BDAEMP Cc1ccc(C[C@H]2C[N@@H+](C)CC[C@H]2[NH3+])cc1 ZINC000006780161 346461822 /nfs/dbraw/zinc/46/18/22/346461822.db2.gz ZXIGWTDJDQHKDK-UONOGXRCSA-N 2 1 218.344 1.817 10 0 BDAEMP C[NH2+]C[C@@H]1CCCC[N@@H+]1[C@H]1CCSC1 ZINC000250698934 362816996 /nfs/dbraw/zinc/81/69/96/362816996.db2.gz CHEOXOMGKHTHHS-QWRGUYRKSA-N 2 1 214.378 1.566 10 0 BDAEMP C[NH2+]C[C@@H]1CCCC[N@H+]1[C@H]1CCSC1 ZINC000250698934 362817001 /nfs/dbraw/zinc/81/70/01/362817001.db2.gz CHEOXOMGKHTHHS-QWRGUYRKSA-N 2 1 214.378 1.566 10 0 BDAEMP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCCS2)C1 ZINC000251415983 362872571 /nfs/dbraw/zinc/87/25/71/362872571.db2.gz RPZBZZXKFUFOES-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCS2)C1 ZINC000251415983 362872575 /nfs/dbraw/zinc/87/25/75/362872575.db2.gz RPZBZZXKFUFOES-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@@H+](CC1([NH3+])CCCC1)[C@@H]1CCSC1 ZINC000037479616 348617691 /nfs/dbraw/zinc/61/76/91/348617691.db2.gz DLLCTIYKCYSFBZ-SNVBAGLBSA-N 2 1 214.378 1.695 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422717116 192440867 /nfs/dbraw/zinc/44/08/67/192440867.db2.gz OGIVESAQWRURFA-WCQYABFASA-N 2 1 227.396 1.160 10 0 BDAEMP CCc1nc(N[C@H](C)C[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000304375759 350156069 /nfs/dbraw/zinc/15/60/69/350156069.db2.gz VOAIVVHNOTYDIW-RKDXNWHRSA-N 2 1 222.336 1.885 10 0 BDAEMP CC[C@@](C)([NH3+])C[N@@H+]1CCS[C@@H](C)C1 ZINC000220971169 350192239 /nfs/dbraw/zinc/19/22/39/350192239.db2.gz GMTCZSWVXWGTEP-VHSXEESVSA-N 2 1 202.367 1.551 10 0 BDAEMP CC[C@@](C)([NH3+])C[N@H+]1CCS[C@@H](C)C1 ZINC000220971169 350192241 /nfs/dbraw/zinc/19/22/41/350192241.db2.gz GMTCZSWVXWGTEP-VHSXEESVSA-N 2 1 202.367 1.551 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352659180 180237601 /nfs/dbraw/zinc/23/76/01/180237601.db2.gz MFDSAXNPFKBGAP-QWHCGFSZSA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352659180 180237604 /nfs/dbraw/zinc/23/76/04/180237604.db2.gz MFDSAXNPFKBGAP-QWHCGFSZSA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccccn1 ZINC000043341289 180271639 /nfs/dbraw/zinc/27/16/39/180271639.db2.gz XVMYAURWDDILQV-LLVKDONJSA-N 2 1 202.261 1.135 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341292 180272009 /nfs/dbraw/zinc/27/20/09/180272009.db2.gz ZSUKPMAXDXATKC-BXKDBHETSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]cn(CC[C@H]2CCC[NH2+]C2)c1C ZINC000051927073 180287557 /nfs/dbraw/zinc/28/75/57/180287557.db2.gz AYOXRXJPDSFKTI-GFCCVEGCSA-N 2 1 207.321 1.890 10 0 BDAEMP Cc1[nH+]cn(Cc2cc(C[NH3+])co2)c1C ZINC000052593609 180288394 /nfs/dbraw/zinc/28/83/94/180288394.db2.gz ODIRBPACYYOAKM-UHFFFAOYSA-N 2 1 205.261 1.600 10 0 BDAEMP Cc1[nH+]cn(Cc2cccnc2C[NH3+])c1C ZINC000061657131 180289315 /nfs/dbraw/zinc/28/93/15/180289315.db2.gz GKPBBEVJMBGFEJ-UHFFFAOYSA-N 2 1 216.288 1.402 10 0 BDAEMP Cc1[nH+]cn([C@H](C[NH3+])c2ccncc2)c1C ZINC000051925702 180289855 /nfs/dbraw/zinc/28/98/55/180289855.db2.gz LTNHTNOMKRYQCE-GFCCVEGCSA-N 2 1 216.288 1.443 10 0 BDAEMP C[N@@H+]1CCC[C@@H](NC(=[NH2+])NCc2ccccc2)C1 ZINC000306779680 351019844 /nfs/dbraw/zinc/01/98/44/351019844.db2.gz YIWHTZQUPIUNBD-CYBMUJFWSA-N 2 1 246.358 1.395 10 0 BDAEMP C[N@H+]1CCC[C@@H](NC(=[NH2+])NCc2ccccc2)C1 ZINC000306779680 351019848 /nfs/dbraw/zinc/01/98/48/351019848.db2.gz YIWHTZQUPIUNBD-CYBMUJFWSA-N 2 1 246.358 1.395 10 0 BDAEMP C[C@@H]1C[C@@]2(C[NH+]=C(N)O2)C[N@H+]1Cc1ccccc1 ZINC000306826924 351136739 /nfs/dbraw/zinc/13/67/39/351136739.db2.gz AQSJBVPWSGXQTA-BXUZGUMPSA-N 2 1 245.326 1.365 10 0 BDAEMP C[C@H]1CCC[N@@H+](C2(C[NH3+])CSC2)[C@H]1C ZINC000306903320 351317328 /nfs/dbraw/zinc/31/73/28/351317328.db2.gz ISTOJIOEHIWJOI-UWVGGRQHSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@H]1CCC[N@H+](C2(C[NH3+])CSC2)[C@H]1C ZINC000306903320 351317332 /nfs/dbraw/zinc/31/73/32/351317332.db2.gz ISTOJIOEHIWJOI-UWVGGRQHSA-N 2 1 214.378 1.551 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1c(Cl)cncc1Cl ZINC000306981847 351400245 /nfs/dbraw/zinc/40/02/45/351400245.db2.gz INOXPNSIWJDYCC-SSDOTTSWSA-N 2 1 220.103 1.737 10 0 BDAEMP CC1(C)CCC[N@@H+]1C1(CN)CSC1 ZINC000306936886 351361042 /nfs/dbraw/zinc/36/10/42/351361042.db2.gz KCNDDLQEACWETQ-UHFFFAOYSA-N 2 1 200.351 1.305 10 0 BDAEMP CC1(C)CCC[N@@H+]1C1(C[NH3+])CSC1 ZINC000306936886 351361047 /nfs/dbraw/zinc/36/10/47/351361047.db2.gz KCNDDLQEACWETQ-UHFFFAOYSA-N 2 1 200.351 1.305 10 0 BDAEMP CC1(C)CCC[N@H+]1C1(C[NH3+])CSC1 ZINC000306936886 351361049 /nfs/dbraw/zinc/36/10/49/351361049.db2.gz KCNDDLQEACWETQ-UHFFFAOYSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CSCC[N@@H+]1CC1(C)C[NH2+]C1 ZINC000307088728 351472289 /nfs/dbraw/zinc/47/22/89/351472289.db2.gz NCWIAYWLWFHKBT-SECBINFHSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1CC1(C)C[NH2+]C1 ZINC000307088728 351472292 /nfs/dbraw/zinc/47/22/92/351472292.db2.gz NCWIAYWLWFHKBT-SECBINFHSA-N 2 1 200.351 1.033 10 0 BDAEMP CS[C@@H]1CC[N@@H+](C[C@@H]2C=C[C@H]([NH3+])C2)C1 ZINC000307254135 351789621 /nfs/dbraw/zinc/78/96/21/351789621.db2.gz WYTSJXAOXYVPJW-OUAUKWLOSA-N 2 1 212.362 1.327 10 0 BDAEMP C[C@@H]1CS[C@@]2(CC[N@@H+](C)C[C@H]2C)[NH2+]1 ZINC000307249785 351755467 /nfs/dbraw/zinc/75/54/67/351755467.db2.gz OWWGSVCZEPSJHL-OPRDCNLKSA-N 2 1 200.351 1.379 10 0 BDAEMP [NH3+][C@H]1CC12CCC([N@H+]1CCC[C@@H](CO)C1)CC2 ZINC000725270446 538101890 /nfs/dbraw/zinc/10/18/90/538101890.db2.gz NAFFQNMCSRCWNF-ZIHBUVQPSA-N 2 1 238.375 1.351 10 0 BDAEMP CS[C@H]1CCC[N@H+](C2CC([NH3+])C2)C1 ZINC000307352146 352258566 /nfs/dbraw/zinc/25/85/66/352258566.db2.gz BSEJFKSVHPVXFL-RTBKNWGFSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@H]1CCC[N@H+](C2(C[NH3+])CC2)CC1 ZINC000300792973 352574213 /nfs/dbraw/zinc/57/42/13/352574213.db2.gz DHYMMXQRVGEGSQ-JTQLQIEISA-N 2 1 214.378 1.695 10 0 BDAEMP CNC(=[NH2+])N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000307599313 352666205 /nfs/dbraw/zinc/66/62/05/352666205.db2.gz QVTLTHRQIQCQDP-GFCCVEGCSA-N 2 1 246.358 1.347 10 0 BDAEMP CNC(=[NH2+])N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000307599313 352666207 /nfs/dbraw/zinc/66/62/07/352666207.db2.gz QVTLTHRQIQCQDP-GFCCVEGCSA-N 2 1 246.358 1.347 10 0 BDAEMP CC1(C)C[N@@H+](CC2(C[NH3+])CC2)CCS1 ZINC000133358384 353413394 /nfs/dbraw/zinc/41/33/94/353413394.db2.gz DVKWLYBYGQJBGG-UHFFFAOYSA-N 2 1 214.378 1.553 10 0 BDAEMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccn1 ZINC000630078597 363282589 /nfs/dbraw/zinc/28/25/89/363282589.db2.gz URQKTZNSQBBMPI-MFKMUULPSA-N 2 1 219.332 1.417 10 0 BDAEMP C[C@@H](CCCC[NH3+])Nc1[nH+]cnc2[nH]ccc21 ZINC000420265579 192192447 /nfs/dbraw/zinc/19/24/47/192192447.db2.gz WEJLLMXNQOWWLT-VIFPVBQESA-N 2 1 233.319 1.887 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000420357594 192219037 /nfs/dbraw/zinc/21/90/37/192219037.db2.gz DNJGCKDSVOOIDV-WOPDTQHZSA-N 2 1 212.337 1.225 10 0 BDAEMP CO[C@@H]1CCC[C@@H](C2=C[C@@H]([NH3+])C[NH2+]C2)C1 ZINC000675079081 538518118 /nfs/dbraw/zinc/51/81/18/538518118.db2.gz VRYATGLTLPDFGY-YUSALJHKSA-N 2 1 210.321 1.049 10 0 BDAEMP CCC[N@@H+](C)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080510 538519611 /nfs/dbraw/zinc/51/96/11/538519611.db2.gz SGOZIZRFZGRWIC-GHMZBOCLSA-N 2 1 212.337 1.225 10 0 BDAEMP Cn1cncc1[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1C1CC1 ZINC000090166648 538592183 /nfs/dbraw/zinc/59/21/83/538592183.db2.gz ZOZIDWDWOURKED-GWCFXTLKSA-N 2 1 234.347 1.294 10 0 BDAEMP Cn1cncc1[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C1CC1 ZINC000090166648 538592192 /nfs/dbraw/zinc/59/21/92/538592192.db2.gz ZOZIDWDWOURKED-GWCFXTLKSA-N 2 1 234.347 1.294 10 0 BDAEMP CO[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000389735335 357022086 /nfs/dbraw/zinc/02/20/86/357022086.db2.gz UGGZIKUHPCUSPK-WRWGMCAJSA-N 2 1 214.353 1.327 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2C[NH3+])CS1 ZINC000168799303 357236782 /nfs/dbraw/zinc/23/67/82/357236782.db2.gz CJWDONXLTOOBBX-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C[NH3+])CS1 ZINC000168799303 357236786 /nfs/dbraw/zinc/23/67/86/357236786.db2.gz CJWDONXLTOOBBX-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCOCC1(C)C ZINC000685950913 538894525 /nfs/dbraw/zinc/89/45/25/538894525.db2.gz HVTAXKVHOJKSHE-GDNZZTSVSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCOCC1(C)C ZINC000685950913 538894527 /nfs/dbraw/zinc/89/45/27/538894527.db2.gz HVTAXKVHOJKSHE-GDNZZTSVSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1CCC[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950935 538894614 /nfs/dbraw/zinc/89/46/14/538894614.db2.gz IPOPEUXOCIBEIZ-NDBYEHHHSA-N 2 1 210.365 1.962 10 0 BDAEMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168739286 134247611 /nfs/dbraw/zinc/24/76/11/134247611.db2.gz DLIRHVAOVDOZKZ-VXGBXAGGSA-N 3 1 213.369 1.058 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226228093 358335268 /nfs/dbraw/zinc/33/52/68/358335268.db2.gz MKOUVNVKRMHDPW-RFQIPJPRSA-N 2 1 238.375 1.506 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226228093 358335271 /nfs/dbraw/zinc/33/52/71/358335271.db2.gz MKOUVNVKRMHDPW-RFQIPJPRSA-N 2 1 238.375 1.506 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)[C@H]1CCCOC1 ZINC000396619469 358449536 /nfs/dbraw/zinc/44/95/36/358449536.db2.gz UNJZOMMYXQIHRC-ZDEQEGDKSA-N 2 1 226.364 1.532 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCS[C@@H]2C)C1 ZINC000300352036 358971000 /nfs/dbraw/zinc/97/10/00/358971000.db2.gz GXTRRXANZGVJFB-ZDCRXTMVSA-N 2 1 214.378 1.550 10 0 BDAEMP C[C@H]1CSC[C@]1(C[NH3+])[NH+]1CCCC1 ZINC000306200514 359028769 /nfs/dbraw/zinc/02/87/69/359028769.db2.gz LRNXVIFXCUMUOP-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP CC(C)[C@@H]([NH3+])CNc1[nH]c2ccccc2[nH+]1 ZINC000070010994 359038240 /nfs/dbraw/zinc/03/82/40/359038240.db2.gz FWXBREARPQHVIY-VIFPVBQESA-N 2 1 218.304 1.958 10 0 BDAEMP CNC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000306395373 359760652 /nfs/dbraw/zinc/76/06/52/359760652.db2.gz JKGJRRSDMLPART-YPMHNXCESA-N 2 1 246.358 1.393 10 0 BDAEMP CC1CC([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000309106247 491145055 /nfs/dbraw/zinc/14/50/55/491145055.db2.gz IAPZQMWBUWVDCG-YVNMAJEFSA-N 2 1 205.305 1.586 10 0 BDAEMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309130480 491145349 /nfs/dbraw/zinc/14/53/49/491145349.db2.gz QXXAVDKTICOXLB-MXWKQRLJSA-N 2 1 205.305 1.444 10 0 BDAEMP CC(C)[N@@H+](C)CCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578638178 366615471 /nfs/dbraw/zinc/61/54/71/366615471.db2.gz BGWVIAVLQRROBT-KGLIPLIRSA-N 3 1 241.423 1.694 10 0 BDAEMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578638178 366615473 /nfs/dbraw/zinc/61/54/73/366615473.db2.gz BGWVIAVLQRROBT-KGLIPLIRSA-N 3 1 241.423 1.694 10 0 BDAEMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578638178 366615474 /nfs/dbraw/zinc/61/54/74/366615474.db2.gz BGWVIAVLQRROBT-KGLIPLIRSA-N 3 1 241.423 1.694 10 0 BDAEMP Cc1cccc(N2CCC(OCCC[NH3+])CC2)[nH+]1 ZINC000094073099 360294991 /nfs/dbraw/zinc/29/49/91/360294991.db2.gz SGAZYSUIRHTTMG-UHFFFAOYSA-N 2 1 249.358 1.724 10 0 BDAEMP C[C@@H]1C[N@H+](C(C)(C)C[NH3+])C[C@H](C)S1 ZINC000069908325 361001466 /nfs/dbraw/zinc/00/14/66/361001466.db2.gz BJACPQHOENOKBT-DTORHVGOSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1C[N@@H+](C(C)(C)C[NH3+])C[C@H](C)S1 ZINC000069908325 361001468 /nfs/dbraw/zinc/00/14/68/361001468.db2.gz BJACPQHOENOKBT-DTORHVGOSA-N 2 1 202.367 1.550 10 0 BDAEMP [NH3+]C1CC[NH+](C[C@H]2COC3(CCCC3)O2)CC1 ZINC000036753952 181344564 /nfs/dbraw/zinc/34/45/64/181344564.db2.gz MPURHLZZSJPZGA-LBPRGKRZSA-N 2 1 240.347 1.095 10 0 BDAEMP CC[C@@H]1C[N@H+](C[C@H]2C[C@H]([NH3+])C2)C[C@H](CC)O1 ZINC000675054323 541434063 /nfs/dbraw/zinc/43/40/63/541434063.db2.gz RYHWXEQAKKPQEB-ROTMJFINSA-N 2 1 226.364 1.613 10 0 BDAEMP [NH3+]CCN1CCC[N@@H+](CC2CCCC2)CC1 ZINC000042374981 181391686 /nfs/dbraw/zinc/39/16/86/181391686.db2.gz VSZNLZSIEYANEM-UHFFFAOYSA-N 2 1 225.380 1.143 10 0 BDAEMP NCC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747339 181397130 /nfs/dbraw/zinc/39/71/30/181397130.db2.gz ISUKJILLTWUFQC-GFCCVEGCSA-N 2 1 206.289 1.318 10 0 BDAEMP [NH3+]CC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747339 181397132 /nfs/dbraw/zinc/39/71/32/181397132.db2.gz ISUKJILLTWUFQC-GFCCVEGCSA-N 2 1 206.289 1.318 10 0 BDAEMP CCc1cc(N2C[C@H]([NH3+])C[C@@H]2C)nc(C)[nH+]1 ZINC000384955221 367763852 /nfs/dbraw/zinc/76/38/52/367763852.db2.gz CGEYQZFJFQQWRC-WCBMZHEXSA-N 2 1 220.320 1.273 10 0 BDAEMP CO[C@H](C)[C@H](C)[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC000252943372 368168375 /nfs/dbraw/zinc/16/83/75/368168375.db2.gz KMGBGAOPMDHDBA-YTWAJWBKSA-N 2 1 200.326 1.079 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@H]2CCC[C@H]2[NH3+])CCS1 ZINC000252979836 368176137 /nfs/dbraw/zinc/17/61/37/368176137.db2.gz JRXRBAVALWAJLX-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CCC[C@H]2[NH3+])CCS1 ZINC000252979836 368176142 /nfs/dbraw/zinc/17/61/42/368176142.db2.gz JRXRBAVALWAJLX-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000631838710 369122149 /nfs/dbraw/zinc/12/21/49/369122149.db2.gz TXUDBDPKQUAAEV-PWSUYJOCSA-N 2 1 205.305 1.108 10 0 BDAEMP CC(C)CCOCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841834 369358673 /nfs/dbraw/zinc/35/86/73/369358673.db2.gz QPKXXJWCSCLMEJ-STQMWFEESA-N 2 1 228.380 1.576 10 0 BDAEMP [NH3+]C[C@H]1CCCC[N@H+](C2CSC2)C1 ZINC000215781574 371629088 /nfs/dbraw/zinc/62/90/88/371629088.db2.gz YLGDKIBAJCRUIE-SECBINFHSA-N 2 1 200.351 1.163 10 0 BDAEMP [NH3+]CCC[N@@H+](CCCCO)Cc1ccccc1 ZINC000230030360 371638052 /nfs/dbraw/zinc/63/80/52/371638052.db2.gz MSZQFPBPTQOGGV-UHFFFAOYSA-N 2 1 236.359 1.610 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000216495743 371759687 /nfs/dbraw/zinc/75/96/87/371759687.db2.gz FIYXWAYSURVQEF-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H]1SCC[N@@H+](C2CC([NH3+])C2)[C@H]1C ZINC000132791234 371923633 /nfs/dbraw/zinc/92/36/33/371923633.db2.gz SEDJDUKQKPQYHK-AFWXGSBKSA-N 2 1 200.351 1.302 10 0 BDAEMP CC(C)[C@H](C)[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000227718471 371925536 /nfs/dbraw/zinc/92/55/36/371925536.db2.gz YIKCLCIPUYALHV-OUAUKWLOSA-N 2 1 200.326 1.079 10 0 BDAEMP C([C@@H]1CSCCS1)[N@@H+]1CCC[NH2+]CC1 ZINC000229652277 372177681 /nfs/dbraw/zinc/17/76/81/372177681.db2.gz SSZKAYMTGOLEAW-SNVBAGLBSA-N 2 1 232.418 1.130 10 0 BDAEMP Cc1cncc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631837124 372627874 /nfs/dbraw/zinc/62/78/74/372627874.db2.gz NCBNXNJQVQHGSW-AAEUAGOBSA-N 2 1 219.332 1.417 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000631840463 372636884 /nfs/dbraw/zinc/63/68/84/372636884.db2.gz SPYQNDBJQUSXSG-MNOVXSKESA-N 2 1 205.305 1.108 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@@H]1C[NH3+] ZINC000631840868 372638519 /nfs/dbraw/zinc/63/85/19/372638519.db2.gz GRYUNPOXJWCQSO-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1C[NH3+] ZINC000631840868 372638523 /nfs/dbraw/zinc/63/85/23/372638523.db2.gz GRYUNPOXJWCQSO-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@H]1C[N@H+](Cc2cccc(F)c2F)C[C@@H]1C[NH3+] ZINC000631841815 372639185 /nfs/dbraw/zinc/63/91/85/372639185.db2.gz QBOHKZUVOCQQDX-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@@H]1C[NH3+] ZINC000631841815 372639190 /nfs/dbraw/zinc/63/91/90/372639190.db2.gz QBOHKZUVOCQQDX-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP OC[C@@H](C1CCCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000038117374 183103567 /nfs/dbraw/zinc/10/35/67/183103567.db2.gz MERPQIGQKRGEKK-ZDUSSCGKSA-N 2 1 226.364 1.223 10 0 BDAEMP CCCN(C)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037098085 169066184 /nfs/dbraw/zinc/06/61/84/169066184.db2.gz FOUGCSJVEDSUKC-FUNVUKJBSA-N 2 1 225.380 1.282 10 0 BDAEMP CCC[N@@H+]([C@H](C)CC(=O)OC)C1CC[NH2+]CC1 ZINC000037539199 169092138 /nfs/dbraw/zinc/09/21/38/169092138.db2.gz GZTSQXJHIFGEQU-LLVKDONJSA-N 2 1 242.363 1.402 10 0 BDAEMP O[C@H]1CCC[C@H]1[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104426313 183238182 /nfs/dbraw/zinc/23/81/82/183238182.db2.gz AJRATMHGNKADJR-MCIONIFRSA-N 2 1 238.375 1.506 10 0 BDAEMP O[C@H]1CCC[C@H]1[N@H+]1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104426313 183238185 /nfs/dbraw/zinc/23/81/85/183238185.db2.gz AJRATMHGNKADJR-MCIONIFRSA-N 2 1 238.375 1.506 10 0 BDAEMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565154 183232534 /nfs/dbraw/zinc/23/25/34/183232534.db2.gz MKOUVNVKRMHDPW-RQJABVFESA-N 2 1 238.375 1.506 10 0 BDAEMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565154 183232536 /nfs/dbraw/zinc/23/25/36/183232536.db2.gz MKOUVNVKRMHDPW-RQJABVFESA-N 2 1 238.375 1.506 10 0 BDAEMP CCC[N@@H+](CCC(=O)N(C)CCC[NH3+])C1CC1 ZINC000037096768 169138679 /nfs/dbraw/zinc/13/86/79/169138679.db2.gz MQWHVXXCONEBRY-UHFFFAOYSA-N 2 1 241.379 1.058 10 0 BDAEMP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071314988 169181953 /nfs/dbraw/zinc/18/19/53/169181953.db2.gz ZQWHQGUVLKDTEG-ZIAGYGMSSA-N 2 1 237.391 1.297 10 0 BDAEMP CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073654028 169208047 /nfs/dbraw/zinc/20/80/47/169208047.db2.gz MPZDMQJLKSABTF-OLZOCXBDSA-N 2 1 225.380 1.012 10 0 BDAEMP CCCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000104315490 169240639 /nfs/dbraw/zinc/24/06/39/169240639.db2.gz BBRNRJHZKVXPSD-VXGBXAGGSA-N 2 1 241.379 1.104 10 0 BDAEMP CCCNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000104315490 169240640 /nfs/dbraw/zinc/24/06/40/169240640.db2.gz BBRNRJHZKVXPSD-VXGBXAGGSA-N 2 1 241.379 1.104 10 0 BDAEMP CCCNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000104315494 169246598 /nfs/dbraw/zinc/24/65/98/169246598.db2.gz BBRNRJHZKVXPSD-NWDGAFQWSA-N 2 1 241.379 1.104 10 0 BDAEMP CCCNC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000104315494 169246601 /nfs/dbraw/zinc/24/66/01/169246601.db2.gz BBRNRJHZKVXPSD-NWDGAFQWSA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+]C[C@H]1CC[C@@H](Cn2cc[nH+]c2C)O1 ZINC000052576187 169264960 /nfs/dbraw/zinc/26/49/60/169264960.db2.gz WRQZABJJJSIMJZ-OLZOCXBDSA-N 2 1 237.347 1.739 10 0 BDAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](CC)CCO ZINC000053858510 169282363 /nfs/dbraw/zinc/28/23/63/169282363.db2.gz ZBQPPKUBDOXSCS-ZIAGYGMSSA-N 2 1 242.407 1.859 10 0 BDAEMP CCCc1cc(NC2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000045950882 169566964 /nfs/dbraw/zinc/56/69/64/169566964.db2.gz FSYVYLMMFYHDSE-UHFFFAOYSA-N 2 1 234.347 1.901 10 0 BDAEMP CCc1nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC000394036669 383994533 /nfs/dbraw/zinc/99/45/33/383994533.db2.gz AJLAGIZXHTUYEO-QMTHXVAHSA-N 2 1 248.374 1.769 10 0 BDAEMP C[C@H]1C[C@H](NC2=[NH+]CCS2)CC[N@H+]1C ZINC000158710781 384129332 /nfs/dbraw/zinc/12/93/32/384129332.db2.gz LMCODEDACMHMAB-DTWKUNHWSA-N 2 1 213.350 1.162 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCCC[NH3+] ZINC000092630135 384229432 /nfs/dbraw/zinc/22/94/32/384229432.db2.gz OQIVCHDLRAQTRU-GFCCVEGCSA-N 2 1 241.379 1.058 10 0 BDAEMP [NH3+]C[C@H]1CCC[N@H+]([C@@H]2CCSC2)C1 ZINC000044527810 384342184 /nfs/dbraw/zinc/34/21/84/384342184.db2.gz PAIBBRIUDWCNKT-NXEZZACHSA-N 2 1 200.351 1.163 10 0 BDAEMP Cn1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275433729 384374955 /nfs/dbraw/zinc/37/49/55/384374955.db2.gz FKPGRDAADWWQMC-LBPRGKRZSA-N 2 1 244.342 1.574 10 0 BDAEMP CC(C)COCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725512 384679394 /nfs/dbraw/zinc/67/93/94/384679394.db2.gz WFDMONOUHMHYEU-LLVKDONJSA-N 2 1 200.326 1.001 10 0 BDAEMP CSC1(C[NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000309878747 384687086 /nfs/dbraw/zinc/68/70/86/384687086.db2.gz UMXLGANSERYPHK-SECBINFHSA-N 2 1 237.372 1.752 10 0 BDAEMP CSC1(C[NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000309878748 384688422 /nfs/dbraw/zinc/68/84/22/384688422.db2.gz UMXLGANSERYPHK-VIFPVBQESA-N 2 1 237.372 1.752 10 0 BDAEMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000647551805 384754001 /nfs/dbraw/zinc/75/40/01/384754001.db2.gz NFUJICSCQDGWMR-XQQFMLRXSA-N 2 1 224.348 1.097 10 0 BDAEMP CC(C)[C@](C)(C[NH3+])[N@H+]1CCCOCC1 ZINC000061916507 385004038 /nfs/dbraw/zinc/00/40/38/385004038.db2.gz UCRKOCHMPSENAX-NSHDSACASA-N 2 1 200.326 1.082 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000044528082 385310391 /nfs/dbraw/zinc/31/03/91/385310391.db2.gz AUSQBAHHDALNEV-JTQLQIEISA-N 2 1 214.378 1.553 10 0 BDAEMP CCc1nc(NC[C@H]2CCCC[NH2+]2)cc(C)[nH+]1 ZINC000310301684 386176682 /nfs/dbraw/zinc/17/66/82/386176682.db2.gz OPMZNEDCZUEKEY-LLVKDONJSA-N 2 1 234.347 1.901 10 0 BDAEMP CCc1nc(NC[C@@H]2CCCC[NH2+]2)cc(C)[nH+]1 ZINC000310301685 386177086 /nfs/dbraw/zinc/17/70/86/386177086.db2.gz OPMZNEDCZUEKEY-NSHDSACASA-N 2 1 234.347 1.901 10 0 BDAEMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1[C@H]1CCSC1 ZINC000575480272 387168797 /nfs/dbraw/zinc/16/87/97/387168797.db2.gz HSFOMFYBYVWCCI-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1[C@H]1CCSC1 ZINC000575480272 387168799 /nfs/dbraw/zinc/16/87/99/387168799.db2.gz HSFOMFYBYVWCCI-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1[C@@H]1CCCSC1 ZINC000575590997 387203388 /nfs/dbraw/zinc/20/33/88/387203388.db2.gz IOYITDIOMCNVOG-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1[C@@H]1CCCSC1 ZINC000575590997 387203392 /nfs/dbraw/zinc/20/33/92/387203392.db2.gz IOYITDIOMCNVOG-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP CC(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166650 387526432 /nfs/dbraw/zinc/52/64/32/387526432.db2.gz OLOUKSNBBYQFCA-UHFFFAOYSA-N 2 1 249.358 1.654 10 0 BDAEMP CC[NH+](CC)CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000119656237 387556086 /nfs/dbraw/zinc/55/60/86/387556086.db2.gz VGHWQMZJUYDPCV-KBPBESRZSA-N 2 1 239.407 1.497 10 0 BDAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](N)C2)CS1 ZINC000575535749 387577264 /nfs/dbraw/zinc/57/72/64/387577264.db2.gz ZRWDBFCCARPHJV-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)CS1 ZINC000575535749 387577267 /nfs/dbraw/zinc/57/72/67/387577267.db2.gz ZRWDBFCCARPHJV-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)CS1 ZINC000575535749 387577271 /nfs/dbraw/zinc/57/72/71/387577271.db2.gz ZRWDBFCCARPHJV-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]([NH2+]CCN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643456762 387692298 /nfs/dbraw/zinc/69/22/98/387692298.db2.gz WWRGXHUBBQVPMT-STQMWFEESA-N 2 1 225.380 1.060 10 0 BDAEMP C[C@@H]([NH2+]CCN1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643456759 387692382 /nfs/dbraw/zinc/69/23/82/387692382.db2.gz WWRGXHUBBQVPMT-CHWSQXEVSA-N 2 1 225.380 1.060 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000422830296 387724517 /nfs/dbraw/zinc/72/45/17/387724517.db2.gz CKPPNIUNXSKTIJ-FQUUOJAGSA-N 3 1 239.407 1.447 10 0 BDAEMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129111409 387764714 /nfs/dbraw/zinc/76/47/14/387764714.db2.gz PMHVNMUJBZTBTL-KBPBESRZSA-N 2 1 241.423 1.694 10 0 BDAEMP c1ccc(OCCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086729761 388108261 /nfs/dbraw/zinc/10/82/61/388108261.db2.gz JMDQFFRZLLJJRU-GFCCVEGCSA-N 2 1 220.316 1.407 10 0 BDAEMP C[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCS1 ZINC000575522376 388358949 /nfs/dbraw/zinc/35/89/49/388358949.db2.gz BZLHUOKKNDRPQJ-VHSXEESVSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCS1 ZINC000575522376 388358951 /nfs/dbraw/zinc/35/89/51/388358951.db2.gz BZLHUOKKNDRPQJ-VHSXEESVSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631842926 388610766 /nfs/dbraw/zinc/61/07/66/388610766.db2.gz HMBYCCJLCRYWGS-OLZOCXBDSA-N 2 1 234.343 1.592 10 0 BDAEMP CSC1(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000368566195 388569747 /nfs/dbraw/zinc/56/97/47/388569747.db2.gz HETZLPOMSWSZCF-SNVBAGLBSA-N 2 1 237.372 1.683 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]CC1CCOCC1)C2 ZINC000328656947 388739509 /nfs/dbraw/zinc/73/95/09/388739509.db2.gz ZVKBSRXMQXPFBC-ZDUSSCGKSA-N 2 1 249.358 1.462 10 0 BDAEMP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564824415 388890454 /nfs/dbraw/zinc/89/04/54/388890454.db2.gz NAGPEIMCRHBBGC-UONOGXRCSA-N 3 1 239.407 1.450 10 0 BDAEMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000221432301 134324254 /nfs/dbraw/zinc/32/42/54/134324254.db2.gz WHTVQZKFMLVFOV-STQMWFEESA-N 2 1 226.364 1.175 10 0 BDAEMP c1cn(CCC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000183162873 134348788 /nfs/dbraw/zinc/34/87/88/134348788.db2.gz QWCFHZPSLGMZAS-UONOGXRCSA-N 2 1 249.358 1.917 10 0 BDAEMP CCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226858815 134370280 /nfs/dbraw/zinc/37/02/80/134370280.db2.gz GLCFWIMRYMAVHS-UONOGXRCSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)[C@H]1CO ZINC000248989070 135029519 /nfs/dbraw/zinc/02/95/19/135029519.db2.gz WVOCMTSQHRZRCL-STQMWFEESA-N 2 1 226.364 1.175 10 0 BDAEMP [NH3+]CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000086832932 135097924 /nfs/dbraw/zinc/09/79/24/135097924.db2.gz JFLOJNSWCILNJJ-UHFFFAOYSA-N 2 1 225.723 1.910 10 0 BDAEMP CC1(C)C[N@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000258786187 135133957 /nfs/dbraw/zinc/13/39/57/135133957.db2.gz MFDBTWKFNYVYKI-LBPRGKRZSA-N 2 1 219.332 1.641 10 0 BDAEMP CC1(C)C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000258786187 135133959 /nfs/dbraw/zinc/13/39/59/135133959.db2.gz MFDBTWKFNYVYKI-LBPRGKRZSA-N 2 1 219.332 1.641 10 0 BDAEMP CCC1(C[N@@H+]2CC[C@H]([NH3+])C2)CCOCC1 ZINC000261531498 135161225 /nfs/dbraw/zinc/16/12/25/135161225.db2.gz GTNFGTJRIAUSDF-NSHDSACASA-N 2 1 212.337 1.226 10 0 BDAEMP CCC1(C[N@H+]2CC[C@H]([NH3+])C2)CCOCC1 ZINC000261531498 135161226 /nfs/dbraw/zinc/16/12/26/135161226.db2.gz GTNFGTJRIAUSDF-NSHDSACASA-N 2 1 212.337 1.226 10 0 BDAEMP Cc1cccc(N2CC[C@@H]([NH3+])C(C)(C)C2)[nH+]1 ZINC000261588831 135229406 /nfs/dbraw/zinc/22/94/06/135229406.db2.gz SPFHHZAGWUCIEJ-LLVKDONJSA-N 2 1 219.332 1.954 10 0 BDAEMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261592148 135232836 /nfs/dbraw/zinc/23/28/36/135232836.db2.gz YIVXVUDJKKKXEM-CYBMUJFWSA-N 2 1 249.358 1.655 10 0 BDAEMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261789759 135253844 /nfs/dbraw/zinc/25/38/44/135253844.db2.gz UVWRWILQZMVIFW-LBPRGKRZSA-N 2 1 236.363 1.586 10 0 BDAEMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261789759 135253846 /nfs/dbraw/zinc/25/38/46/135253846.db2.gz UVWRWILQZMVIFW-LBPRGKRZSA-N 2 1 236.363 1.586 10 0 BDAEMP COCC(C)(C)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261968487 135267182 /nfs/dbraw/zinc/26/71/82/135267182.db2.gz QCMSBHVYWQTVSQ-LLVKDONJSA-N 2 1 228.380 1.718 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H]([NH3+])CC(C)C ZINC000092633648 135579899 /nfs/dbraw/zinc/57/98/99/135579899.db2.gz NIIXHJVSBHQCOF-ZIAGYGMSSA-N 2 1 241.423 1.776 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)Cc1cncn1C ZINC000177179084 397790374 /nfs/dbraw/zinc/79/03/74/397790374.db2.gz PAWGAFFTQPEJKW-GFCCVEGCSA-N 2 1 236.363 1.336 10 0 BDAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CCCSCC1 ZINC000042444904 171396059 /nfs/dbraw/zinc/39/60/59/171396059.db2.gz HFSBMJYGEMMCLJ-WDEREUQCSA-N 2 1 216.394 1.799 10 0 BDAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CCCSCC1 ZINC000042444904 171396060 /nfs/dbraw/zinc/39/60/60/171396060.db2.gz HFSBMJYGEMMCLJ-WDEREUQCSA-N 2 1 216.394 1.799 10 0 BDAEMP CC(C)OCC[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000062568773 167233407 /nfs/dbraw/zinc/23/34/07/167233407.db2.gz HADTUNACNMDXEG-NSHDSACASA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)OCC[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000062568773 167233412 /nfs/dbraw/zinc/23/34/12/167233412.db2.gz HADTUNACNMDXEG-NSHDSACASA-N 2 1 200.326 1.095 10 0 BDAEMP CCc1cc(NCCC2(C[NH3+])CC2)nc(C)[nH+]1 ZINC000395957169 410869545 /nfs/dbraw/zinc/86/95/45/410869545.db2.gz ROYNYDRKKVENJP-UHFFFAOYSA-N 2 1 234.347 1.310 10 0 BDAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2NCCC[NH3+] ZINC000044374745 167031022 /nfs/dbraw/zinc/03/10/22/167031022.db2.gz NEPSBVIBLXMDKK-PBWFPOADSA-N 2 1 239.407 1.434 10 0 BDAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCC[NH3+] ZINC000044374745 167031024 /nfs/dbraw/zinc/03/10/24/167031024.db2.gz NEPSBVIBLXMDKK-PBWFPOADSA-N 3 1 239.407 1.434 10 0 BDAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCC[NH3+] ZINC000044374745 167031027 /nfs/dbraw/zinc/03/10/27/167031027.db2.gz NEPSBVIBLXMDKK-PBWFPOADSA-N 3 1 239.407 1.434 10 0 BDAEMP CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCC[NH3+] ZINC000044374745 167031030 /nfs/dbraw/zinc/03/10/30/167031030.db2.gz NEPSBVIBLXMDKK-PBWFPOADSA-N 2 1 239.407 1.434 10 0 BDAEMP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557089 167373686 /nfs/dbraw/zinc/37/36/86/167373686.db2.gz MNCUGTAZJFHDCT-NWDGAFQWSA-N 2 1 243.395 1.077 10 0 BDAEMP CN(C)[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000104176042 410926240 /nfs/dbraw/zinc/92/62/40/410926240.db2.gz ODATVBVTOOOZEO-AWEZNQCLSA-N 2 1 239.407 1.402 10 0 BDAEMP C[NH+](C)[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000104176042 410926246 /nfs/dbraw/zinc/92/62/46/410926246.db2.gz ODATVBVTOOOZEO-AWEZNQCLSA-N 2 1 239.407 1.402 10 0 BDAEMP Cn1cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cn1 ZINC000310394188 411235262 /nfs/dbraw/zinc/23/52/62/411235262.db2.gz JHUQBBLCNJXBEL-AAEUAGOBSA-N 2 1 234.347 1.167 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@H]21 ZINC000656699945 411324643 /nfs/dbraw/zinc/32/46/43/411324643.db2.gz OGDVKZHMCRATDR-AGIUHOORSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]21 ZINC000656699945 411324646 /nfs/dbraw/zinc/32/46/46/411324646.db2.gz OGDVKZHMCRATDR-AGIUHOORSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]21 ZINC000656699945 411324650 /nfs/dbraw/zinc/32/46/50/411324650.db2.gz OGDVKZHMCRATDR-AGIUHOORSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000656699945 411324654 /nfs/dbraw/zinc/32/46/54/411324654.db2.gz OGDVKZHMCRATDR-AGIUHOORSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000656699945 411324657 /nfs/dbraw/zinc/32/46/57/411324657.db2.gz OGDVKZHMCRATDR-AGIUHOORSA-N 2 1 226.364 1.172 10 0 BDAEMP CC[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000122924060 411436343 /nfs/dbraw/zinc/43/63/43/411436343.db2.gz RSHYAHAEOHDNQR-QWRGUYRKSA-N 2 1 249.362 1.106 10 0 BDAEMP CC[NH+]1CCC([C@@H](C)[NH2+]CCCN(C)C)CC1 ZINC000037210222 169958234 /nfs/dbraw/zinc/95/82/34/169958234.db2.gz ZZVSGWWMAHZTEL-CYBMUJFWSA-N 2 1 241.423 1.648 10 0 BDAEMP CC[N@H+]1CC[C@H](CN2CC[NH2+][C@@H](C)CC2)C1 ZINC000049662195 170015131 /nfs/dbraw/zinc/01/51/31/170015131.db2.gz RTHBCGGDEOJVPL-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000328277855 170022086 /nfs/dbraw/zinc/02/20/86/170022086.db2.gz RDAVQLVGTWHWMT-AGIUHOORSA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000328277855 170022088 /nfs/dbraw/zinc/02/20/88/170022088.db2.gz RDAVQLVGTWHWMT-AGIUHOORSA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000328277855 170022090 /nfs/dbraw/zinc/02/20/90/170022090.db2.gz RDAVQLVGTWHWMT-AGIUHOORSA-N 2 1 225.380 1.153 10 0 BDAEMP CC[N@H+]1CCc2nc(C[C@H](C)[NH3+])sc2C1 ZINC000054160996 170025190 /nfs/dbraw/zinc/02/51/90/170025190.db2.gz WCFWYBGBXFAEEI-QMMMGPOBSA-N 2 1 225.361 1.411 10 0 BDAEMP CC[NH2+]C1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040715851 170110032 /nfs/dbraw/zinc/11/00/32/170110032.db2.gz ILZKWBHEFLEALA-ZDUSSCGKSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC000054900298 170130438 /nfs/dbraw/zinc/13/04/38/170130438.db2.gz RNJVTQYZMHEPRR-UHFFFAOYSA-N 2 1 240.376 1.004 10 0 BDAEMP CC[NH2+][C@@H]1CCN([C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000049568547 170152704 /nfs/dbraw/zinc/15/27/04/170152704.db2.gz VCJUQOMPZKDQLP-MGPQQGTHSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@@H]1CN1CCC[N@@H+](C)CC1 ZINC000053863878 170167073 /nfs/dbraw/zinc/16/70/73/170167073.db2.gz LZTIQRWRVUESEI-KGLIPLIRSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+]1CCOC(C)(C)C1 ZINC000053868237 170167302 /nfs/dbraw/zinc/16/73/02/170167302.db2.gz WPHGTBHOSBYXEQ-OLZOCXBDSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+]1CCOC(C)(C)C1 ZINC000053868237 170167303 /nfs/dbraw/zinc/16/73/03/170167303.db2.gz WPHGTBHOSBYXEQ-OLZOCXBDSA-N 2 1 240.391 1.875 10 0 BDAEMP CCOCCC[N@H+]1CC[NH2+]CC[C@H]1C ZINC000071508080 170373972 /nfs/dbraw/zinc/37/39/72/170373972.db2.gz MQDIJLYWBLEBQJ-LLVKDONJSA-N 2 1 200.326 1.097 10 0 BDAEMP CCOCC[N@@H+](C)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000050088737 170391872 /nfs/dbraw/zinc/39/18/72/170391872.db2.gz SFYNLARFTKBALT-QWHCGFSZSA-N 2 1 228.380 1.862 10 0 BDAEMP CC[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000082380080 171158059 /nfs/dbraw/zinc/15/80/59/171158059.db2.gz WOULTZNLOCKBHN-QWHCGFSZSA-N 2 1 204.317 1.998 10 0 BDAEMP CC[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000082380080 171158062 /nfs/dbraw/zinc/15/80/62/171158062.db2.gz WOULTZNLOCKBHN-QWHCGFSZSA-N 2 1 204.317 1.998 10 0 BDAEMP CC[C@H](C)[N@@H+](CCOC)Cc1ccc(C[NH3+])o1 ZINC000052547302 171315259 /nfs/dbraw/zinc/31/52/59/171315259.db2.gz GNBAYXICEPEGSJ-NSHDSACASA-N 2 1 240.347 1.985 10 0 BDAEMP CC[C@H](C)NC(=O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC000020043059 171326544 /nfs/dbraw/zinc/32/65/44/171326544.db2.gz FDMPOBXAWBRLET-NSHDSACASA-N 2 1 243.395 1.079 10 0 BDAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623407 412245861 /nfs/dbraw/zinc/24/58/61/412245861.db2.gz XRVDLKJHCYOAEI-QWRGUYRKSA-N 2 1 241.379 1.103 10 0 BDAEMP Cc1cc(NCC23CC(C2)C[NH2+]3)nc(C)[nH+]1 ZINC000663274840 412405383 /nfs/dbraw/zinc/40/53/83/412405383.db2.gz PYXMWJUAWJIBFU-UHFFFAOYSA-N 2 1 218.304 1.257 10 0 BDAEMP CCc1[nH+]ccn1Cc1cc(C)c(C[NH3+])o1 ZINC000052593051 172027084 /nfs/dbraw/zinc/02/70/84/172027084.db2.gz IVJNPACKMXNBGV-UHFFFAOYSA-N 2 1 219.288 1.854 10 0 BDAEMP CCn1cc[nH+]c1N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000050614363 172225628 /nfs/dbraw/zinc/22/56/28/172225628.db2.gz ZDZOLBVOYOFOAY-WOPDTQHZSA-N 2 1 234.347 1.467 10 0 BDAEMP CCn1cc[nH+]c1N1CCC[C@@H](C[NH2+]C)C1 ZINC000050614383 172226372 /nfs/dbraw/zinc/22/63/72/172226372.db2.gz QDSNDTRQYIVRKX-NSHDSACASA-N 2 1 222.336 1.339 10 0 BDAEMP C[N@H+]1CCC[C@@](C[NH3+])(c2cccs2)C1 ZINC000077304287 173036451 /nfs/dbraw/zinc/03/64/51/173036451.db2.gz SDKKOHVJZKPYEW-NSHDSACASA-N 2 1 210.346 1.670 10 0 BDAEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000037646643 173114368 /nfs/dbraw/zinc/11/43/68/173114368.db2.gz JVFVGEYRKNZGKL-NSHDSACASA-N 2 1 248.326 1.457 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000037646643 173114372 /nfs/dbraw/zinc/11/43/72/173114372.db2.gz JVFVGEYRKNZGKL-NSHDSACASA-N 2 1 248.326 1.457 10 0 BDAEMP C[N@@H+]1CC[C@@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000042545010 173126354 /nfs/dbraw/zinc/12/63/54/173126354.db2.gz HUQGHHJDNBMUTD-SNVBAGLBSA-N 2 1 242.326 1.933 10 0 BDAEMP C[N@H+]1CC[C@@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000042545010 173126356 /nfs/dbraw/zinc/12/63/56/173126356.db2.gz HUQGHHJDNBMUTD-SNVBAGLBSA-N 2 1 242.326 1.933 10 0 BDAEMP C[N@H+]1CC[C@@](C[NH3+])(Nc2ccccc2)C1 ZINC000082643357 173136839 /nfs/dbraw/zinc/13/68/39/173136839.db2.gz XLBBVWPHPLGKOU-LBPRGKRZSA-N 2 1 205.305 1.132 10 0 BDAEMP C[N@H+]1CC[C@@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000061990772 173136980 /nfs/dbraw/zinc/13/69/80/173136980.db2.gz PZKBHHSFSBOXNP-AWEZNQCLSA-N 2 1 231.343 1.035 10 0 BDAEMP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000037484732 173147789 /nfs/dbraw/zinc/14/77/89/173147789.db2.gz RUEJIICDVRSOHE-LLVKDONJSA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000037484732 173147791 /nfs/dbraw/zinc/14/77/91/173147791.db2.gz RUEJIICDVRSOHE-LLVKDONJSA-N 2 1 205.305 1.123 10 0 BDAEMP CN(Cc1ccsc1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990247 173162182 /nfs/dbraw/zinc/16/21/82/173162182.db2.gz IJIIJJLXXSDULZ-GFCCVEGCSA-N 2 1 239.388 1.213 10 0 BDAEMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cn[nH]c1)C2 ZINC000038005559 173207243 /nfs/dbraw/zinc/20/72/43/173207243.db2.gz HSXXGNMUEFRIPB-YOGCLGLASA-N 2 1 220.320 1.125 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cn[nH]c1)C2 ZINC000038005559 173207245 /nfs/dbraw/zinc/20/72/45/173207245.db2.gz HSXXGNMUEFRIPB-YOGCLGLASA-N 2 1 220.320 1.125 10 0 BDAEMP C[NH2+]CCC[C@@H](C)[N@@H+](CCCOC)CCOC ZINC000052543275 173349805 /nfs/dbraw/zinc/34/98/05/173349805.db2.gz OQMMIHYHWLWTDY-CYBMUJFWSA-N 2 1 246.395 1.359 10 0 BDAEMP C[NH2+]C[C@H]1CC[C@H](Cn2c[nH+]c(C)c2C)O1 ZINC000052593687 173382727 /nfs/dbraw/zinc/38/27/27/173382727.db2.gz HIQAXJUQAXXJAQ-VXGBXAGGSA-N 2 1 223.320 1.267 10 0 BDAEMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000037758711 173389490 /nfs/dbraw/zinc/38/94/90/173389490.db2.gz LJUYTHVLWJFDNO-GFCCVEGCSA-N 2 1 247.342 1.296 10 0 BDAEMP COCCC[N@@H+](CCOC)CC[C@@H]1CCC[NH2+]1 ZINC000042425421 174224119 /nfs/dbraw/zinc/22/41/19/174224119.db2.gz FELLZPAHDUPYQE-ZDUSSCGKSA-N 2 1 244.379 1.113 10 0 BDAEMP COCCC[N@H+](CCOC)[C@H](CN)CC(C)C ZINC000042421091 174225773 /nfs/dbraw/zinc/22/57/73/174225773.db2.gz OGZPSGQFSGFIQS-ZDUSSCGKSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@@H+](CCOC)[C@H](CN)CC(C)C ZINC000042421091 174225774 /nfs/dbraw/zinc/22/57/74/174225774.db2.gz OGZPSGQFSGFIQS-ZDUSSCGKSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@H+](CCOC)[C@H](C[NH3+])CC(C)C ZINC000042421091 174225775 /nfs/dbraw/zinc/22/57/75/174225775.db2.gz OGZPSGQFSGFIQS-ZDUSSCGKSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@@H+](CCOC)[C@H](C[NH3+])CC(C)C ZINC000042421091 174225776 /nfs/dbraw/zinc/22/57/76/174225776.db2.gz OGZPSGQFSGFIQS-ZDUSSCGKSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000031994548 174230729 /nfs/dbraw/zinc/23/07/29/174230729.db2.gz YWOVKUMHWPADDD-ZDUSSCGKSA-N 2 1 226.364 1.489 10 0 BDAEMP COCC[N@@H+](Cc1cccc(C(N)=[NH2+])c1)C1CC1 ZINC000042518459 174298623 /nfs/dbraw/zinc/29/86/23/174298623.db2.gz JHGIBTSIDPGKHO-UHFFFAOYSA-N 2 1 247.342 1.581 10 0 BDAEMP COCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876106 174304849 /nfs/dbraw/zinc/30/48/49/174304849.db2.gz RDWBEZJQPCYQFB-UHFFFAOYSA-N 2 1 237.347 1.321 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1CCC[NH+]1CC[C@@H](CO)C1 ZINC000224464276 176070279 /nfs/dbraw/zinc/07/02/79/176070279.db2.gz USNLPSRFNIQQTD-ZIAGYGMSSA-N 2 1 240.391 1.565 10 0 BDAEMP C[C@@H]1CCCC[NH+]1CCC[N@@H+]1CC[C@@H](CO)C1 ZINC000224464276 176070282 /nfs/dbraw/zinc/07/02/82/176070282.db2.gz 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1.165 10 0 BDAEMP C[C@@H]1C[NH2+]CC[N@@H+](CCc2ccncc2)C1 ZINC000049662224 176325494 /nfs/dbraw/zinc/32/54/94/176325494.db2.gz YBEJPVLKTZJIQY-GFCCVEGCSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051016414 177096920 /nfs/dbraw/zinc/09/69/20/177096920.db2.gz NXPHAQDNDRVNNJ-NWDGAFQWSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267746 177164052 /nfs/dbraw/zinc/16/40/52/177164052.db2.gz VEZGUTKUBPSWHO-VIFPVBQESA-N 2 1 235.306 1.952 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2cccnc2C[NH3+])C1 ZINC000061656660 177165920 /nfs/dbraw/zinc/16/59/20/177165920.db2.gz ICHCKKXXNMIKRD-JTQLQIEISA-N 2 1 205.305 1.382 10 0 BDAEMP C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000216416620 177238716 /nfs/dbraw/zinc/23/87/16/177238716.db2.gz GHCXEMQIRXBZSB-NHCYSSNCSA-N 2 1 222.336 1.228 10 0 BDAEMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000216416620 177238717 /nfs/dbraw/zinc/23/87/17/177238717.db2.gz 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177302656 /nfs/dbraw/zinc/30/26/56/177302656.db2.gz MLBNXSIDYPKPNR-IUCAKERBSA-N 2 1 213.350 1.019 10 0 BDAEMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)CC[N@H+]1C ZINC000132836429 177331999 /nfs/dbraw/zinc/33/19/99/177331999.db2.gz LOOBJBFPGJOIDU-AVGNSLFASA-N 2 1 226.364 1.628 10 0 BDAEMP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361765 225096742 /nfs/dbraw/zinc/09/67/42/225096742.db2.gz QHEDAYRDLOOGHW-HZSPNIEDSA-N 2 1 239.407 1.448 10 0 BDAEMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000400334366 226340979 /nfs/dbraw/zinc/34/09/79/226340979.db2.gz GYHMJWYROYAQAT-MCIONIFRSA-N 3 1 239.407 1.306 10 0 BDAEMP CC[C@H](COC)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396540501 262805430 /nfs/dbraw/zinc/80/54/30/262805430.db2.gz AIYOKZYJQVZLJU-GMTAPVOTSA-N 2 1 200.326 1.142 10 0 BDAEMP OCC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000300215277 487772287 /nfs/dbraw/zinc/77/22/87/487772287.db2.gz VYXXIGQJYFKZDW-OLZOCXBDSA-N 2 1 226.364 1.080 10 0 BDAEMP C[C@@H]([NH3+])C[C@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000165732306 323069588 /nfs/dbraw/zinc/06/95/88/323069588.db2.gz ZTJJLXWWAVVRHG-BDAKNGLRSA-N 2 1 223.324 1.080 10 0 BDAEMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400756219 487986895 /nfs/dbraw/zinc/98/68/95/487986895.db2.gz XAMYSXOPQAWTNH-AVGNSLFASA-N 2 1 225.380 1.058 10 0 BDAEMP CCCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400756219 487986900 /nfs/dbraw/zinc/98/69/00/487986900.db2.gz XAMYSXOPQAWTNH-AVGNSLFASA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCC(C)CC2)CCO1 ZINC000227719774 487493715 /nfs/dbraw/zinc/49/37/15/487493715.db2.gz NOYHKIKFNFSKHF-YIOUJQMASA-N 2 1 240.391 1.861 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC(C)CC2)CCO1 ZINC000227719774 487493720 /nfs/dbraw/zinc/49/37/20/487493720.db2.gz NOYHKIKFNFSKHF-YIOUJQMASA-N 2 1 240.391 1.861 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CC=CC3)C[C@@H]12 ZINC000662266475 487502383 /nfs/dbraw/zinc/50/23/83/487502383.db2.gz MFMSNEHIPHBSIS-JHJVBQTASA-N 2 1 206.333 1.622 10 0 BDAEMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCC[C@H]3O)C2)C1 ZINC000328421333 490294204 /nfs/dbraw/zinc/29/42/04/490294204.db2.gz ZAIUNIFATQGSIC-MGPQQGTHSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)C1 ZINC000328421333 490294210 /nfs/dbraw/zinc/29/42/10/490294210.db2.gz ZAIUNIFATQGSIC-MGPQQGTHSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCC[C@H]3O)C2)C1 ZINC000328421333 490294217 /nfs/dbraw/zinc/29/42/17/490294217.db2.gz ZAIUNIFATQGSIC-MGPQQGTHSA-N 2 1 238.375 1.318 10 0 BDAEMP C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000400515197 533834163 /nfs/dbraw/zinc/83/41/63/533834163.db2.gz KJGSXJWNPURUCF-RYUDHWBXSA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000400518581 533989114 /nfs/dbraw/zinc/98/91/14/533989114.db2.gz NSQILCKCWNLCNX-FQUUOJAGSA-N 2 1 237.391 1.201 10 0 BDAEMP CC(C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400539133 528548720 /nfs/dbraw/zinc/54/87/20/528548720.db2.gz UJLASJXAYDGVDY-IJLUTSLNSA-N 2 1 214.353 1.124 10 0 BDAEMP CC[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000037670338 535453184 /nfs/dbraw/zinc/45/31/84/535453184.db2.gz NGCVFMRAISCCHZ-UHFFFAOYSA-N 2 1 219.332 1.968 10 0 BDAEMP C[NH+](C)CCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252709015 535833802 /nfs/dbraw/zinc/83/38/02/535833802.db2.gz BTVRQRSFKSJMEO-KBPBESRZSA-N 2 1 240.391 1.565 10 0 BDAEMP C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000053204758 536414921 /nfs/dbraw/zinc/41/49/21/536414921.db2.gz JZNCEMXRPIOYIQ-NSHDSACASA-N 2 1 220.320 1.282 10 0 BDAEMP CCOc1cccc([C@H]2C[NH2+]C[C@]2([NH3+])CC)c1 ZINC000725262847 538089220 /nfs/dbraw/zinc/08/92/20/538089220.db2.gz ZEESSATXXNMXMN-ZIAGYGMSSA-N 2 1 234.343 1.880 10 0 BDAEMP C[NH+]1CCC[C@@H]1CC(=O)C[C@H]1CCC[N@@H+]1C ZINC000036456743 574414347 /nfs/dbraw/zinc/41/43/47/574414347.db2.gz ZEBIACKKLGVLFZ-VXGBXAGGSA-N 2 1 224.348 1.524 10 0 endogenous,in-man BDAEMP C[C@H]1C[C@H]1[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757124163 582499497 /nfs/dbraw/zinc/49/94/97/582499497.db2.gz BYFROMSCBQYATD-RVMXOQNASA-N 2 1 208.349 1.859 10 0 BDAEMP CC(=O)c1ccc([C@@H]2C[NH2+]C[C@H]([NH3+])C2)cc1 ZINC000757218667 582563384 /nfs/dbraw/zinc/56/33/84/582563384.db2.gz WQBXLJYRTOKOBA-QWHCGFSZSA-N 2 1 218.300 1.293 10 0 BDAEMP FC1(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000394463746 582977846 /nfs/dbraw/zinc/97/78/46/582977846.db2.gz JFNAYGCCJDRTLI-SECBINFHSA-N 2 1 209.268 1.290 10 0 BDAEMP OCC[NH+]1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000398958923 583168761 /nfs/dbraw/zinc/16/87/61/583168761.db2.gz KRRYYGUVYOYIFT-ZDUSSCGKSA-N 2 1 238.375 1.389 10 0 BDAEMP CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399262396 583172574 /nfs/dbraw/zinc/17/25/74/583172574.db2.gz QKRXYFAJZXSPFR-JSGCOSHPSA-N 2 1 240.391 1.611 10 0 BDAEMP CC(=O)c1cccc([C@H]2C[NH2+]C[C@H]([NH3+])C2)c1 ZINC000757212475 586439294 /nfs/dbraw/zinc/43/92/94/586439294.db2.gz IPXBMZFTKIKXKY-CHWSQXEVSA-N 2 1 218.300 1.293 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1ccc(C[NH3+])cc1 ZINC000757217291 586441566 /nfs/dbraw/zinc/44/15/66/586441566.db2.gz RUXMKWVVDLFNNQ-WQAKAFBOSA-N 3 1 219.332 1.143 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1CC[C@H](C[NH3+])[NH2+]C1 ZINC000757229657 586443323 /nfs/dbraw/zinc/44/33/23/586443323.db2.gz FBHWSTKNSIIFRQ-ZYHUDNBSSA-N 2 1 219.332 1.372 10 0 BDAEMP [NH3+]Cc1cc([C@H]2C[C@@H]([NH3+])CCN2)ccc1C1CC1 ZINC000757237116 586443796 /nfs/dbraw/zinc/44/37/96/586443796.db2.gz PKVBPCRFNDVSOY-DZGCQCFKSA-N 2 1 245.370 1.775 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1CC[C@@H]([NH3+])[C@@H](C)[NH2+]1 ZINC000757238641 586444178 /nfs/dbraw/zinc/44/41/78/586444178.db2.gz TUCMGAYHAHLQQB-WQAKAFBOSA-N 2 1 219.332 1.718 10 0 BDAEMP c1ccc2c(c1)OC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129264269 591272950 /nfs/dbraw/zinc/27/29/50/591272950.db2.gz VNAXNMHWMJBKRL-DGCLKSJQSA-N 2 1 232.327 1.852 10 0 BDAEMP c1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129264872 591272991 /nfs/dbraw/zinc/27/29/91/591272991.db2.gz VNAXNMHWMJBKRL-AAEUAGOBSA-N 2 1 232.327 1.852 10 0 BDAEMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000221879815 592454501 /nfs/dbraw/zinc/45/45/01/592454501.db2.gz HONDMONUBNEFPM-GFCCVEGCSA-N 2 1 238.379 1.527 10 0 BDAEMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000235165778 632391312 /nfs/dbraw/zinc/39/13/12/632391312.db2.gz SMLZIDRUEGTVFJ-IVZWLZJFSA-N 2 1 200.351 1.222 10 0 BDAEMP [NH3+][C@H](CC(F)F)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000310082250 632701153 /nfs/dbraw/zinc/70/11/53/632701153.db2.gz KIJGZKYHWGIFKV-MNOVXSKESA-N 2 1 247.333 1.139 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCCCO)C[C@@H]12 ZINC000309363567 632973449 /nfs/dbraw/zinc/97/34/49/632973449.db2.gz PCIKXUCJLVZGJF-YNEHKIRRSA-N 2 1 226.364 1.208 10 0 BDAEMP [NH3+][C@H]1C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000396831670 634096320 /nfs/dbraw/zinc/09/63/20/634096320.db2.gz UKXSRKLWZMOXFU-UWVGGRQHSA-N 2 1 230.233 1.720 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000396831668 634097027 /nfs/dbraw/zinc/09/70/27/634097027.db2.gz UKXSRKLWZMOXFU-NXEZZACHSA-N 2 1 230.233 1.720 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000227795246 640849272 /nfs/dbraw/zinc/84/92/72/640849272.db2.gz XKKIOZKOSJJZMQ-RFQIPJPRSA-N 2 1 238.375 1.757 10 0 BDAEMP CCOC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121082 641134795 /nfs/dbraw/zinc/13/47/95/641134795.db2.gz UYZXCMGPORYDQC-LLVKDONJSA-N 2 1 242.363 1.212 10 0 BDAEMP CCOC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121082 641134797 /nfs/dbraw/zinc/13/47/97/641134797.db2.gz UYZXCMGPORYDQC-LLVKDONJSA-N 2 1 242.363 1.212 10 0 BDAEMP C([C@H]1CCCO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257650257 642490550 /nfs/dbraw/zinc/49/05/50/642490550.db2.gz DBDUZJNHHDIYFS-CHWSQXEVSA-N 2 1 224.348 1.241 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 ZINC000685946277 644517657 /nfs/dbraw/zinc/51/76/57/644517657.db2.gz MYXOOSMZRQVCAB-VXGBXAGGSA-N 2 1 226.270 1.759 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000685946289 644517902 /nfs/dbraw/zinc/51/79/02/644517902.db2.gz NCZNFOVODVZZLY-VXGBXAGGSA-N 2 1 208.280 1.620 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)c1cc(C)[nH+]c(N)n1 ZINC000093232610 644682469 /nfs/dbraw/zinc/68/24/69/644682469.db2.gz LQNRJKFHYXREFQ-NSHDSACASA-N 2 1 249.362 1.288 10 0 BDAEMP C/C(=C/c1ccco1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000096681299 644829917 /nfs/dbraw/zinc/82/99/17/644829917.db2.gz OVRKLHUOGLNLQV-SEVUFMINSA-N 2 1 220.316 1.964 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000723824022 710732995 /nfs/dbraw/zinc/73/29/95/710732995.db2.gz BLFOQXJODFWPRD-ZJUUUORDSA-N 2 1 230.315 1.830 10 0 BDAEMP [NH3+]CCCCCCNc1[nH+]cnc2[nH]ccc21 ZINC000705181344 712125733 /nfs/dbraw/zinc/12/57/33/712125733.db2.gz AJWGOOVRHXTVQG-UHFFFAOYSA-N 2 1 233.319 1.841 10 0 BDAEMP COC1CC(C[N@@H+](C)CCCCCC[NH3+])C1 ZINC000705890302 712139114 /nfs/dbraw/zinc/13/91/14/712139114.db2.gz WVHGGKOWOLWNKL-UHFFFAOYSA-N 2 1 228.380 1.862 10 0 BDAEMP CC(=O)[C@H]1CCC[N@@H+](CCn2ccnc2C)C1 ZINC000111689859 712688360 /nfs/dbraw/zinc/68/83/60/712688360.db2.gz FDFGDSRMBIYDDI-ZDUSSCGKSA-N 2 1 235.331 1.493 10 0 BDAEMP C[C@]1(CN2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]C1 ZINC000250811790 712834668 /nfs/dbraw/zinc/83/46/68/712834668.db2.gz UVJJYZYMMWUAPY-KBPBESRZSA-N 2 1 237.391 1.156 10 0 BDAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCOCC2 ZINC000685953928 538898998 /nfs/dbraw/zinc/89/89/98/538898998.db2.gz JPMRAJZMKVSZMO-NEPJUHHUSA-N 2 1 212.337 1.367 10 0 BDAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCOCC2 ZINC000685955285 538900930 /nfs/dbraw/zinc/90/09/30/538900930.db2.gz XHRPUWRPVSOMIY-NEPJUHHUSA-N 2 1 212.337 1.369 10 0 BDAEMP Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c(F)c1 ZINC000685965807 538912136 /nfs/dbraw/zinc/91/21/36/538912136.db2.gz UHQDNIUUROVBIT-JQWIXIFHSA-N 2 1 208.280 1.538 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000306789004 398200926 /nfs/dbraw/zinc/20/09/26/398200926.db2.gz SQYZLRCNIGQINB-QEYWKRMJSA-N 2 1 202.367 1.548 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000306789004 398200929 /nfs/dbraw/zinc/20/09/29/398200929.db2.gz SQYZLRCNIGQINB-QEYWKRMJSA-N 2 1 202.367 1.548 10 0 BDAEMP Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000167624746 178166615 /nfs/dbraw/zinc/16/66/15/178166615.db2.gz CLWGWYBUIXQXFG-GFCCVEGCSA-N 2 1 221.304 1.133 10 0 BDAEMP Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000167624746 178166616 /nfs/dbraw/zinc/16/66/16/178166616.db2.gz CLWGWYBUIXQXFG-GFCCVEGCSA-N 2 1 221.304 1.133 10 0 BDAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCSCC2 ZINC000606275694 538929995 /nfs/dbraw/zinc/92/99/95/538929995.db2.gz IZBRBJOWBKCSRV-SECBINFHSA-N 2 1 200.351 1.305 10 0 BDAEMP CCC(CC)[N@@H+](CCOC)[C@@](C)(CN)COC ZINC000053198560 168375424 /nfs/dbraw/zinc/37/54/24/168375424.db2.gz SPDVESTWMASUGR-ZDUSSCGKSA-N 2 1 246.395 1.487 10 0 BDAEMP CCC(CC)[N@H+](CCOC)[C@@](C)(C[NH3+])COC ZINC000053198560 168375425 /nfs/dbraw/zinc/37/54/25/168375425.db2.gz SPDVESTWMASUGR-ZDUSSCGKSA-N 2 1 246.395 1.487 10 0 BDAEMP C/C(=C/Cl)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000379300552 342700537 /nfs/dbraw/zinc/70/05/37/342700537.db2.gz NLTXUQSGVBPLME-RASWUEQRSA-N 2 1 202.729 1.941 10 0 BDAEMP C/C(=C/Cl)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000379300552 342700539 /nfs/dbraw/zinc/70/05/39/342700539.db2.gz NLTXUQSGVBPLME-RASWUEQRSA-N 2 1 202.729 1.941 10 0 BDAEMP CCNc1cc(N2CCC([NH3+])CC2)[nH+]c(C)n1 ZINC000258977907 342811528 /nfs/dbraw/zinc/81/15/28/342811528.db2.gz OEJDXNQEZKBCPI-UHFFFAOYSA-N 2 1 235.335 1.144 10 0 BDAEMP C[N@@H+](C1CCC1)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000143674678 361930221 /nfs/dbraw/zinc/93/02/21/361930221.db2.gz HATBHBIKZPYZQK-NWDGAFQWSA-N 2 1 240.347 1.094 10 0 BDAEMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000390511498 539022629 /nfs/dbraw/zinc/02/26/29/539022629.db2.gz ZRGZWEWTCXAPLN-UTUOFQBUSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@@H]([NH3+])[C@H](C)C[N@H+]1CCCO[C@H](C)C1 ZINC000165192448 342881681 /nfs/dbraw/zinc/88/16/81/342881681.db2.gz COJAZENALVBDCJ-GMTAPVOTSA-N 2 1 200.326 1.081 10 0 BDAEMP Cc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000162228577 343205213 /nfs/dbraw/zinc/20/52/13/343205213.db2.gz FXUJOSBUSUAECO-LBPRGKRZSA-N 2 1 219.332 1.622 10 0 BDAEMP CCOc1cccc([C@@H]2C[NH2+]C[C@H]2[NH3+])c1 ZINC000409422942 343814451 /nfs/dbraw/zinc/81/44/51/343814451.db2.gz NBRKGCXYEGOJKJ-NWDGAFQWSA-N 2 1 206.289 1.099 10 0 BDAEMP CCO[C@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000409434552 343832317 /nfs/dbraw/zinc/83/23/17/343832317.db2.gz PUHSFJAWBULANT-SECBINFHSA-N 2 1 240.269 1.379 10 0 BDAEMP CCO[C@]1(C(F)(F)F)CC[N@@H+](CCC[NH3+])C1 ZINC000409434552 343832319 /nfs/dbraw/zinc/83/23/19/343832319.db2.gz PUHSFJAWBULANT-SECBINFHSA-N 2 1 240.269 1.379 10 0 BDAEMP OC[C@H]1C[N@H+](C2CC[NH2+]CC2)CC12CCCC2 ZINC000409436215 343837889 /nfs/dbraw/zinc/83/78/89/343837889.db2.gz YSNCAZGLOVIHHP-GFCCVEGCSA-N 2 1 238.375 1.223 10 0 BDAEMP CC(C)C[C@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409435794 343839876 /nfs/dbraw/zinc/83/98/76/343839876.db2.gz WOPXZLYJMAQCBK-JSGCOSHPSA-N 2 1 240.391 1.467 10 0 BDAEMP CC[C@@H]1CC[N@@H+]([C@]2(C[NH3+])CCSC2)C1 ZINC000166002894 344272307 /nfs/dbraw/zinc/27/23/07/344272307.db2.gz OAHFLOUFYOMSIH-MNOVXSKESA-N 2 1 214.378 1.553 10 0 BDAEMP CC[C@@H]1CC[N@H+]([C@]2(C[NH3+])CCSC2)C1 ZINC000166002894 344272310 /nfs/dbraw/zinc/27/23/10/344272310.db2.gz OAHFLOUFYOMSIH-MNOVXSKESA-N 2 1 214.378 1.553 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000166908676 344369346 /nfs/dbraw/zinc/36/93/46/344369346.db2.gz BWFYYQAZRHXEKS-TZMCWYRMSA-N 2 1 216.328 1.968 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000166908676 344369347 /nfs/dbraw/zinc/36/93/47/344369347.db2.gz BWFYYQAZRHXEKS-TZMCWYRMSA-N 2 1 216.328 1.968 10 0 BDAEMP CC(C)[C@](F)(C[NH3+])[C@@H]1CCCCC[NH2+]1 ZINC000158388965 344640390 /nfs/dbraw/zinc/64/03/90/344640390.db2.gz IZYYHHIWWQWSKZ-WDEREUQCSA-N 2 1 202.317 1.842 10 0 BDAEMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000212357609 344734572 /nfs/dbraw/zinc/73/45/72/344734572.db2.gz GWBMUSWFUMWNQZ-UONOGXRCSA-N 2 1 234.343 1.218 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CCS[C@@H]2C)C[C@@H]1[NH3+] ZINC000235349507 344890413 /nfs/dbraw/zinc/89/04/13/344890413.db2.gz HMAZSQDLLWSMTC-DOLQZWNJSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@H](c1ccc[nH]1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000247964675 344992895 /nfs/dbraw/zinc/99/28/95/344992895.db2.gz GVLVCDMZIGEUFQ-MNOVXSKESA-N 2 1 207.321 1.617 10 0 BDAEMP C[C@H](c1ccc[nH]1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000247964675 344992897 /nfs/dbraw/zinc/99/28/97/344992897.db2.gz GVLVCDMZIGEUFQ-MNOVXSKESA-N 2 1 207.321 1.617 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000634999231 345199099 /nfs/dbraw/zinc/19/90/99/345199099.db2.gz RJQPPFQZMXHFBB-RISCZKNCSA-N 2 1 246.354 1.648 10 0 BDAEMP Cc1ncsc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999577 345200100 /nfs/dbraw/zinc/20/01/00/345200100.db2.gz WNLWHCNXMNZYSB-WPRPVWTQSA-N 2 1 225.361 1.478 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000251329829 345493323 /nfs/dbraw/zinc/49/33/23/345493323.db2.gz PAIBBRIUDWCNKT-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12CCCSC2 ZINC000685952690 537943002 /nfs/dbraw/zinc/94/30/02/537943002.db2.gz CBPPPMBIHPJTRS-WDEREUQCSA-N 2 1 214.378 1.694 10 0 BDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](C)O)C2)[nH+]1 ZINC000192984741 179148029 /nfs/dbraw/zinc/14/80/29/179148029.db2.gz SFNOSHGVQKARAY-CHWSQXEVSA-N 2 1 249.358 1.505 10 0 BDAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](C)O)C2)[nH+]1 ZINC000192984741 179148031 /nfs/dbraw/zinc/14/80/31/179148031.db2.gz SFNOSHGVQKARAY-CHWSQXEVSA-N 2 1 249.358 1.505 10 0 BDAEMP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325448 347206674 /nfs/dbraw/zinc/20/66/74/347206674.db2.gz CLKPHZVEAHUHLY-GRYCIOLGSA-N 2 1 242.363 1.245 10 0 BDAEMP CCC[C@H](C(=O)OCC)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325448 347206677 /nfs/dbraw/zinc/20/66/77/347206677.db2.gz CLKPHZVEAHUHLY-GRYCIOLGSA-N 2 1 242.363 1.245 10 0 BDAEMP [NH3+][C@H]1C[NH2+]CC[C@@H]1c1ccc2c(c1)CCN2 ZINC000669381417 537995028 /nfs/dbraw/zinc/99/50/28/537995028.db2.gz JEVUKQHMHZRDPJ-NEPJUHHUSA-N 2 1 217.316 1.059 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1 ZINC000042899531 180272376 /nfs/dbraw/zinc/27/23/76/180272376.db2.gz GHNYPXZSTXKSNX-LBPRGKRZSA-N 2 1 201.273 1.740 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]CCOc1ccccc1 ZINC000042896283 180260625 /nfs/dbraw/zinc/26/06/25/180260625.db2.gz XHGCOSIHADDQNF-UHFFFAOYSA-N 2 1 245.326 1.860 10 0 BDAEMP Cc1[nH+]ccn1CCOC1CCC([NH3+])CC1 ZINC000055143335 180261121 /nfs/dbraw/zinc/26/11/21/180261121.db2.gz DZAPZIVWWDKLSE-UHFFFAOYSA-N 2 1 223.320 1.478 10 0 BDAEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000038827567 180267958 /nfs/dbraw/zinc/26/79/58/180267958.db2.gz OAEFSYKLSSUYJT-NSHDSACASA-N 2 1 245.282 1.620 10 0 BDAEMP Cc1[nH+]ccn1Cc1ccc(C[NH3+])s1 ZINC000016942973 180269365 /nfs/dbraw/zinc/26/93/65/180269365.db2.gz KVAXLQAILIAAOK-UHFFFAOYSA-N 2 1 207.302 1.760 10 0 BDAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccccc1 ZINC000042899534 180270939 /nfs/dbraw/zinc/27/09/39/180270939.db2.gz GHNYPXZSTXKSNX-GFCCVEGCSA-N 2 1 201.273 1.740 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccccn1 ZINC000043341287 180271849 /nfs/dbraw/zinc/27/18/49/180271849.db2.gz XVMYAURWDDILQV-NSHDSACASA-N 2 1 202.261 1.135 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccncc1 ZINC000043354887 180271976 /nfs/dbraw/zinc/27/19/76/180271976.db2.gz DUGNKHYLNVKYEP-NSHDSACASA-N 2 1 202.261 1.135 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042915851 180272260 /nfs/dbraw/zinc/27/22/60/180272260.db2.gz YPHRCPHFHOTUKG-LBPRGKRZSA-N 2 1 219.263 1.879 10 0 BDAEMP Cc1[nH+]cn(Cc2ccc(C(N)=[NH2+])cc2F)c1C ZINC000051927152 180287528 /nfs/dbraw/zinc/28/75/28/180287528.db2.gz ZKUVVZGSGYIYEN-UHFFFAOYSA-N 2 1 246.289 1.971 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1C[C@H]1C=C[C@H]([NH3+])C1 ZINC000227273665 350491040 /nfs/dbraw/zinc/49/10/40/350491040.db2.gz SGEAMMWNIPTANT-VWYCJHECSA-N 2 1 212.362 1.327 10 0 BDAEMP CN(C)c1cccc(NCC[NH+](C)C)[nH+]1 ZINC000060023791 350497345 /nfs/dbraw/zinc/49/73/45/350497345.db2.gz ZXFMVQRMDOWWLL-UHFFFAOYSA-N 2 1 208.309 1.121 10 0 BDAEMP C[C@H]([NH3+])CNc1cc[nH+]cc1Br ZINC000159902156 351024099 /nfs/dbraw/zinc/02/40/99/351024099.db2.gz LDJJILQYXNOWQS-LURJTMIESA-N 2 1 230.109 1.603 10 0 BDAEMP CC[C@H]1C[N@H+](C2CSC2)CC[C@@H]1[NH3+] ZINC000306782354 351029714 /nfs/dbraw/zinc/02/97/14/351029714.db2.gz QMUVVMBNPNKJGW-WPRPVWTQSA-N 2 1 200.351 1.161 10 0 BDAEMP CC(C)(C)[N@H+]1CCOC[C@@H](CC[NH3+])C1 ZINC000616658939 351205226 /nfs/dbraw/zinc/20/52/26/351205226.db2.gz ADVOONAMDXGGFP-JTQLQIEISA-N 2 1 200.326 1.082 10 0 BDAEMP [NH3+]C[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616664133 351216830 /nfs/dbraw/zinc/21/68/30/351216830.db2.gz VGJVEPYIBLDQDC-CYBMUJFWSA-N 2 1 220.316 1.094 10 0 BDAEMP CS[C@@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)C1 ZINC000307139217 351495332 /nfs/dbraw/zinc/49/53/32/351495332.db2.gz HQKIFGOPBIMRSK-VHSXEESVSA-N 2 1 200.351 1.176 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)C1 ZINC000307139217 351495335 /nfs/dbraw/zinc/49/53/35/351495335.db2.gz HQKIFGOPBIMRSK-VHSXEESVSA-N 2 1 200.351 1.176 10 0 BDAEMP C/C(=C\Cl)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232008734 351506096 /nfs/dbraw/zinc/50/60/96/351506096.db2.gz YJARHYXZPIUHBV-KFOKRZIESA-N 2 1 200.713 1.280 10 0 BDAEMP C/C(=C\Cl)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232008734 351506100 /nfs/dbraw/zinc/50/61/00/351506100.db2.gz YJARHYXZPIUHBV-KFOKRZIESA-N 2 1 200.713 1.280 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@]([NH3+])(CO)C1 ZINC000307159220 351509637 /nfs/dbraw/zinc/50/96/37/351509637.db2.gz UEIFDFMSGWKHLX-KGLIPLIRSA-N 2 1 234.343 1.361 10 0 BDAEMP C[N@@H+](C1CSC1)[C@@H]1CCC[NH2+]CC1 ZINC000307092024 351473367 /nfs/dbraw/zinc/47/33/67/351473367.db2.gz RMZLTJLQJVJFPO-SECBINFHSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1CC[N@@H+](C2(C[NH3+])CC2)CCS1 ZINC000307101032 351476628 /nfs/dbraw/zinc/47/66/28/351476628.db2.gz HHSCOQGFTXMAFG-SECBINFHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CC[N@H+](C2(C[NH3+])CC2)CCS1 ZINC000307101032 351476633 /nfs/dbraw/zinc/47/66/33/351476633.db2.gz HHSCOQGFTXMAFG-SECBINFHSA-N 2 1 200.351 1.305 10 0 BDAEMP CC1(C)SC[C@H]1[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000307168859 351542378 /nfs/dbraw/zinc/54/23/78/351542378.db2.gz WFLZNZDRCXMQCV-DTWKUNHWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[N@@H+](C1CSC1)C1CCC([NH3+])CC1 ZINC000307172950 351563171 /nfs/dbraw/zinc/56/31/71/351563171.db2.gz QMNHBDIDZWFSCJ-UHFFFAOYSA-N 2 1 200.351 1.304 10 0 BDAEMP Cl/C=C/C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000307326735 352020601 /nfs/dbraw/zinc/02/06/01/352020601.db2.gz NQCJAFWANROYSH-ZNRHVGLYSA-N 2 1 200.713 1.280 10 0 BDAEMP Cl/C=C/C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000307326735 352020603 /nfs/dbraw/zinc/02/06/03/352020603.db2.gz NQCJAFWANROYSH-ZNRHVGLYSA-N 2 1 200.713 1.280 10 0 BDAEMP C[NH2+]CC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000307437251 352595889 /nfs/dbraw/zinc/59/58/89/352595889.db2.gz QCWIGYMZANYSHE-CQSZACIVSA-N 2 1 234.343 1.497 10 0 BDAEMP C[NH2+]CC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000307437251 352595892 /nfs/dbraw/zinc/59/58/92/352595892.db2.gz QCWIGYMZANYSHE-CQSZACIVSA-N 2 1 234.343 1.497 10 0 BDAEMP C[C@@H]1C[N@H+](C)CCN1C(=[NH2+])NCc1ccccc1 ZINC000307535062 352640281 /nfs/dbraw/zinc/64/02/81/352640281.db2.gz BJOBAGPPGMBEES-GFCCVEGCSA-N 2 1 246.358 1.347 10 0 BDAEMP C[C@@H]1C[N@@H+](C)CCN1C(=[NH2+])NCc1ccccc1 ZINC000307535062 352640286 /nfs/dbraw/zinc/64/02/86/352640286.db2.gz BJOBAGPPGMBEES-GFCCVEGCSA-N 2 1 246.358 1.347 10 0 BDAEMP C[C@H]1CCN(C(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000307598584 352665882 /nfs/dbraw/zinc/66/58/82/352665882.db2.gz PCIQLDDHPSCZOR-LBPRGKRZSA-N 2 1 246.358 1.476 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 ZINC000307514916 352631641 /nfs/dbraw/zinc/63/16/41/352631641.db2.gz OYDXYOQZDJADEK-OPRDCNLKSA-N 2 1 200.351 1.019 10 0 BDAEMP C([NH2+][C@@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000232450268 352673655 /nfs/dbraw/zinc/67/36/55/352673655.db2.gz XZRAXUYDBRVMTN-VHSXEESVSA-N 2 1 200.351 1.224 10 0 BDAEMP [NH3+]C1CCC(C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000306602009 353028911 /nfs/dbraw/zinc/02/89/11/353028911.db2.gz VJMKWDHPKYJOSZ-HSOILSAZSA-N 2 1 200.301 1.548 10 0 BDAEMP C[NH2+]Cc1ccccc1-n1cc[nH+]c1C ZINC000034825312 188099445 /nfs/dbraw/zinc/09/94/45/188099445.db2.gz FFLWMVOPUPEDNV-UHFFFAOYSA-N 2 1 201.273 1.900 10 0 BDAEMP CC[C@@H]1C[N@H+](Cc2cccc(C[NH3+])c2)CCO1 ZINC000036769206 188112371 /nfs/dbraw/zinc/11/23/71/188112371.db2.gz XFYOACVSRNMFOP-CQSZACIVSA-N 2 1 234.343 1.756 10 0 BDAEMP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)CCO1 ZINC000036769206 188112372 /nfs/dbraw/zinc/11/23/72/188112372.db2.gz XFYOACVSRNMFOP-CQSZACIVSA-N 2 1 234.343 1.756 10 0 BDAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000045134656 188124032 /nfs/dbraw/zinc/12/40/32/188124032.db2.gz KGNBCGCINNRLDM-KGLIPLIRSA-N 2 1 240.391 1.875 10 0 BDAEMP C[NH2+]Cc1ccc(CN2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000110751269 188153073 /nfs/dbraw/zinc/15/30/73/188153073.db2.gz PZMROLNAYAHHTB-CYBMUJFWSA-N 2 1 247.386 1.542 10 0 BDAEMP C[NH2+]Cc1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)cc1 ZINC000110751269 188153075 /nfs/dbraw/zinc/15/30/75/188153075.db2.gz PZMROLNAYAHHTB-CYBMUJFWSA-N 2 1 247.386 1.542 10 0 BDAEMP C[NH2+]Cc1ccc(C[N@H+]2CCN(C)[C@H](C)C2)cc1 ZINC000110751269 188153076 /nfs/dbraw/zinc/15/30/76/188153076.db2.gz PZMROLNAYAHHTB-CYBMUJFWSA-N 2 1 247.386 1.542 10 0 BDAEMP C[C@H]([NH3+])C[N@@H+]1CCSC(C)(C)CC1 ZINC000231047944 353561123 /nfs/dbraw/zinc/56/11/23/353561123.db2.gz LRHNILOXQLJZLF-VIFPVBQESA-N 2 1 202.367 1.551 10 0 BDAEMP C[C@H]([NH3+])C[N@H+]1CCSC(C)(C)CC1 ZINC000231047944 353561124 /nfs/dbraw/zinc/56/11/24/353561124.db2.gz LRHNILOXQLJZLF-VIFPVBQESA-N 2 1 202.367 1.551 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCCO)C1 ZINC000113515679 355251883 /nfs/dbraw/zinc/25/18/83/355251883.db2.gz MPBGLMVWDHINLB-LBPRGKRZSA-N 2 1 214.353 1.033 10 0 BDAEMP NC(=[NH2+])CCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000062980679 181186378 /nfs/dbraw/zinc/18/63/78/181186378.db2.gz ZHAPZQSYTFYSIL-GFCCVEGCSA-N 2 1 238.379 1.263 10 0 BDAEMP NC(=[NH2+])CCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062980679 181186382 /nfs/dbraw/zinc/18/63/82/181186382.db2.gz ZHAPZQSYTFYSIL-GFCCVEGCSA-N 2 1 238.379 1.263 10 0 BDAEMP Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000335863823 355627452 /nfs/dbraw/zinc/62/74/52/355627452.db2.gz QRIMKRSURPGUJO-GFCCVEGCSA-N 2 1 222.336 1.292 10 0 BDAEMP Cc1n[nH]cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000335863823 355627454 /nfs/dbraw/zinc/62/74/54/355627454.db2.gz QRIMKRSURPGUJO-GFCCVEGCSA-N 2 1 222.336 1.292 10 0 BDAEMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)o1 ZINC000422968577 192530699 /nfs/dbraw/zinc/53/06/99/192530699.db2.gz XDMHLELQKSRASV-VHSXEESVSA-N 2 1 208.305 1.847 10 0 BDAEMP [NH3+][C@H]1C=C(CC[C@H]2CCCCO2)C[NH2+]C1 ZINC000675079125 538517549 /nfs/dbraw/zinc/51/75/49/538517549.db2.gz WQKRILCXZDSKIG-NWDGAFQWSA-N 2 1 210.321 1.193 10 0 BDAEMP CCC[N@@H+](C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080515 538519347 /nfs/dbraw/zinc/51/93/47/538519347.db2.gz SGOZIZRFZGRWIC-WDEREUQCSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@H](C[N@H+]1CCS[C@H](C)C1)C1C[NH2+]C1 ZINC000129828983 356980052 /nfs/dbraw/zinc/98/00/52/356980052.db2.gz LMVBMUFPZSXZRZ-NXEZZACHSA-N 2 1 214.378 1.279 10 0 BDAEMP C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000389974093 357076451 /nfs/dbraw/zinc/07/64/51/357076451.db2.gz ZURLYTDYHMNAQQ-ZFWWWQNUSA-N 2 1 248.370 1.933 10 0 BDAEMP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000389974090 357076541 /nfs/dbraw/zinc/07/65/41/357076541.db2.gz ZURLYTDYHMNAQQ-DZGCQCFKSA-N 2 1 248.370 1.933 10 0 BDAEMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000393831481 357302430 /nfs/dbraw/zinc/30/24/30/357302430.db2.gz KPIACKICSDNBJV-KXNHARMFSA-N 2 1 232.331 1.207 10 0 BDAEMP CCOc1cccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685945830 538887289 /nfs/dbraw/zinc/88/72/89/538887289.db2.gz CBBCLEOSLJQGFU-STQMWFEESA-N 2 1 220.316 1.490 10 0 BDAEMP CC(C)C1CCC([NH3+])(C2=[NH+]CCN2)CC1 ZINC000685948101 538890267 /nfs/dbraw/zinc/89/02/67/538890267.db2.gz XTKWCODEPJKPGU-UHFFFAOYSA-N 2 1 209.337 1.532 10 0 BDAEMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])cc1 ZINC000685948589 538890855 /nfs/dbraw/zinc/89/08/55/538890855.db2.gz QRAFEXXOVXNDQE-STQMWFEESA-N 2 1 220.316 1.490 10 0 BDAEMP CC[C@@H]1CC[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950664 538893762 /nfs/dbraw/zinc/89/37/62/538893762.db2.gz DCYIYKIBEOSLNJ-XQHKEYJVSA-N 2 1 210.365 1.962 10 0 BDAEMP CCCC[C@H](C[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000130513070 358629984 /nfs/dbraw/zinc/62/99/84/358629984.db2.gz HCWGHEJDFGKDEK-SNVBAGLBSA-N 2 1 237.351 1.472 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCSC2)[C@H](C)C1 ZINC000299969721 358958164 /nfs/dbraw/zinc/95/81/64/358958164.db2.gz RNWVIHWQDWKLHH-GMTAPVOTSA-N 2 1 214.378 1.564 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+](CCC(F)F)[C@H]1C ZINC000306219529 359338256 /nfs/dbraw/zinc/33/82/56/359338256.db2.gz MXWGVILITJHOEH-XHNCKOQMSA-N 2 1 206.280 1.699 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H]1COC(C)(C)[C@@H]1[NH3+] ZINC000306248674 359445761 /nfs/dbraw/zinc/44/57/61/359445761.db2.gz XQUAPWNUMWQDMK-NXEZZACHSA-N 2 1 200.326 1.079 10 0 BDAEMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578638179 366615401 /nfs/dbraw/zinc/61/54/01/366615401.db2.gz BGWVIAVLQRROBT-UONOGXRCSA-N 3 1 241.423 1.694 10 0 BDAEMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578638179 366615403 /nfs/dbraw/zinc/61/54/03/366615403.db2.gz BGWVIAVLQRROBT-UONOGXRCSA-N 3 1 241.423 1.694 10 0 BDAEMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578638179 366615404 /nfs/dbraw/zinc/61/54/04/366615404.db2.gz BGWVIAVLQRROBT-UONOGXRCSA-N 3 1 241.423 1.694 10 0 BDAEMP COC(C)(C)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000306450348 360020860 /nfs/dbraw/zinc/02/08/60/360020860.db2.gz ZCXPJERVLPPANN-JTQLQIEISA-N 2 1 200.326 1.225 10 0 BDAEMP C[N@@H+](CCCN[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000094087846 360296367 /nfs/dbraw/zinc/29/63/67/360296367.db2.gz UVYLBMCDWWZXSZ-ZDUSSCGKSA-N 2 1 239.407 1.593 10 0 BDAEMP C[N@@H+](CCCN[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000094087844 360296453 /nfs/dbraw/zinc/29/64/53/360296453.db2.gz UVYLBMCDWWZXSZ-CYBMUJFWSA-N 2 1 239.407 1.593 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094440676 360308189 /nfs/dbraw/zinc/30/81/89/360308189.db2.gz NSRZJTPUUCNZHM-UONOGXRCSA-N 2 1 239.407 1.530 10 0 BDAEMP CC[C@H]1[C@@H](C)CC[N@@H+]1C1(C[NH3+])CSC1 ZINC000306595280 360516029 /nfs/dbraw/zinc/51/60/29/360516029.db2.gz XVEWAVFIUXQSQM-UWVGGRQHSA-N 2 1 214.378 1.551 10 0 BDAEMP CC[C@H]1[C@@H](C)CC[N@H+]1C1(C[NH3+])CSC1 ZINC000306595280 360516035 /nfs/dbraw/zinc/51/60/35/360516035.db2.gz XVEWAVFIUXQSQM-UWVGGRQHSA-N 2 1 214.378 1.551 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccsc1 ZINC000069796912 360557185 /nfs/dbraw/zinc/55/71/85/360557185.db2.gz JPAAFNYKOJPTRZ-ONGXEEELSA-N 2 1 210.346 1.960 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccsc1 ZINC000069796912 360557192 /nfs/dbraw/zinc/55/71/92/360557192.db2.gz JPAAFNYKOJPTRZ-ONGXEEELSA-N 2 1 210.346 1.960 10 0 BDAEMP C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910039 361016793 /nfs/dbraw/zinc/01/67/93/361016793.db2.gz JEHUFOMHUTWEDH-BBBLOLIVSA-N 2 1 202.367 1.550 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]C1CC(C(F)F)C1 ZINC000309875500 491157770 /nfs/dbraw/zinc/15/77/70/491157770.db2.gz SNMJROAMRANQLU-UHFFFAOYSA-N 2 1 229.274 1.825 10 0 BDAEMP [NH3+]C1CC[NH+](C[C@@H]2COC3(CCCC3)O2)CC1 ZINC000036753953 181344811 /nfs/dbraw/zinc/34/48/11/181344811.db2.gz MPURHLZZSJPZGA-GFCCVEGCSA-N 2 1 240.347 1.095 10 0 BDAEMP NC(=[NH2+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000070663801 361708971 /nfs/dbraw/zinc/70/89/71/361708971.db2.gz IXFMLHAWUZHRLZ-LBPRGKRZSA-N 2 1 217.316 1.835 10 0 BDAEMP CO[C@@H]1C[N@@H+](CCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356695 364077955 /nfs/dbraw/zinc/07/79/55/364077955.db2.gz TVWSCADFCNKHTD-RYUDHWBXSA-N 2 1 214.353 1.471 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC2CC(C)(C)C2)[C@](C)(C[NH3+])C1 ZINC000630366294 364086006 /nfs/dbraw/zinc/08/60/06/364086006.db2.gz KALHALIMQXGIER-JSGCOSHPSA-N 2 1 240.391 1.861 10 0 BDAEMP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]cc1Cl ZINC000630526783 364213516 /nfs/dbraw/zinc/21/35/16/364213516.db2.gz DLKWZSSUBCNMJM-GXSJLCMTSA-N 2 1 225.723 1.709 10 0 BDAEMP Cc1cc[nH+]c(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000630539077 364234993 /nfs/dbraw/zinc/23/49/93/364234993.db2.gz VONWBYVGSXDBNV-OKILXGFUSA-N 2 1 231.343 1.826 10 0 BDAEMP CC[NH2+][C@H](C)CNc1cc(C)[nH+]c(CC)n1 ZINC000387419090 368176606 /nfs/dbraw/zinc/17/66/06/368176606.db2.gz FNHYCHAZHCINJF-SNVBAGLBSA-N 2 1 222.336 1.179 10 0 BDAEMP Cc1ncsc1CC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840333 369236752 /nfs/dbraw/zinc/23/67/52/369236752.db2.gz RMXGIDPUNDRNSU-ONGXEEELSA-N 2 1 239.388 1.521 10 0 BDAEMP COC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250363735 369514163 /nfs/dbraw/zinc/51/41/63/369514163.db2.gz HYFRLDBVZDXQQU-NWDGAFQWSA-N 2 1 240.347 1.014 10 0 BDAEMP CC[C@](C)([NH3+])C[N@@H+]1CCCO[C@@H](C)C1 ZINC000226694091 371726870 /nfs/dbraw/zinc/72/68/70/371726870.db2.gz KCWBCNRRGFNKBX-QWRGUYRKSA-N 2 1 200.326 1.225 10 0 BDAEMP CC[C@](C)([NH3+])C[N@H+]1CCCO[C@@H](C)C1 ZINC000226694091 371726874 /nfs/dbraw/zinc/72/68/74/371726874.db2.gz KCWBCNRRGFNKBX-QWRGUYRKSA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@H+]1C(C)(C)C[NH3+] ZINC000132278236 371783238 /nfs/dbraw/zinc/78/32/38/371783238.db2.gz HQSOOBURSONAAK-BDAKNGLRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@@H+]1C(C)(C)C[NH3+] ZINC000132278236 371783243 /nfs/dbraw/zinc/78/32/43/371783243.db2.gz HQSOOBURSONAAK-BDAKNGLRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000227109744 371785010 /nfs/dbraw/zinc/78/50/10/371785010.db2.gz RXLVACGMDNXSAR-DGCLKSJQSA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000227109744 371785012 /nfs/dbraw/zinc/78/50/12/371785012.db2.gz RXLVACGMDNXSAR-DGCLKSJQSA-N 2 1 204.317 1.856 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCSCC2)C1 ZINC000227808745 371941444 /nfs/dbraw/zinc/94/14/44/371941444.db2.gz DSUPSUVYSWWFEF-WDEREUQCSA-N 2 1 214.378 1.553 10 0 BDAEMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000218653774 372141795 /nfs/dbraw/zinc/14/17/95/372141795.db2.gz UARNUHKIDMEUHT-DCAQKATOSA-N 2 1 200.326 1.223 10 0 BDAEMP Cc1cccnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837905 372630266 /nfs/dbraw/zinc/63/02/66/372630266.db2.gz GWVZTWXXGJBIBZ-RYUDHWBXSA-N 2 1 219.332 1.417 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1C[NH3+] ZINC000631838483 372632434 /nfs/dbraw/zinc/63/24/34/372632434.db2.gz PFPMQWALAUBUAM-MNOVXSKESA-N 2 1 202.317 1.653 10 0 BDAEMP CC(C)OCCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839087 372633202 /nfs/dbraw/zinc/63/32/02/372633202.db2.gz AAPGWXSXSNHPNN-RYUDHWBXSA-N 2 1 214.353 1.328 10 0 BDAEMP COCc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838892 372634557 /nfs/dbraw/zinc/63/45/57/372634557.db2.gz WNLLCTYAIKEGJR-SWLSCSKDSA-N 2 1 248.370 1.860 10 0 BDAEMP C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000631841281 372638135 /nfs/dbraw/zinc/63/81/35/372638135.db2.gz IRPVMMJMQCGREZ-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000631841281 372638139 /nfs/dbraw/zinc/63/81/39/372638139.db2.gz IRPVMMJMQCGREZ-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631842285 372640857 /nfs/dbraw/zinc/64/08/57/372640857.db2.gz YAFHNXXDHQJALK-DTWKUNHWSA-N 2 1 240.269 1.092 10 0 BDAEMP C[C@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631842285 372640863 /nfs/dbraw/zinc/64/08/63/372640863.db2.gz YAFHNXXDHQJALK-DTWKUNHWSA-N 2 1 240.269 1.092 10 0 BDAEMP CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C[C@@H]1C ZINC000073655933 169207719 /nfs/dbraw/zinc/20/77/19/169207719.db2.gz SQJDAGSKCKFRLK-QWHCGFSZSA-N 2 1 225.380 1.155 10 0 BDAEMP CCC[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104421509 169262406 /nfs/dbraw/zinc/26/24/06/169262406.db2.gz CFYLVLYKQMTYMH-MJBXVCDLSA-N 2 1 240.391 1.611 10 0 BDAEMP CCC[NH2+]C[C@H]1CC[C@H](Cn2cc[nH+]c2C)O1 ZINC000052576185 169264804 /nfs/dbraw/zinc/26/48/04/169264804.db2.gz WRQZABJJJSIMJZ-CHWSQXEVSA-N 2 1 237.347 1.739 10 0 BDAEMP c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]23)nc1 ZINC000049567825 183395203 /nfs/dbraw/zinc/39/52/03/183395203.db2.gz TWPLDYSMDOECOQ-UONOGXRCSA-N 2 1 231.343 1.450 10 0 BDAEMP c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]23)nc1 ZINC000049567825 183395206 /nfs/dbraw/zinc/39/52/06/183395206.db2.gz TWPLDYSMDOECOQ-UONOGXRCSA-N 2 1 231.343 1.450 10 0 BDAEMP CCCO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425460 169311626 /nfs/dbraw/zinc/31/16/26/169311626.db2.gz NMGFHZMPMSUUEQ-ZIAGYGMSSA-N 2 1 240.391 1.877 10 0 BDAEMP CCCO[C@H]1CCC[N@H+]([C@@H](CC)CC(N)=[NH2+])C1 ZINC000042422685 169313193 /nfs/dbraw/zinc/31/31/93/169313193.db2.gz YBYFMLLNBMBQML-RYUDHWBXSA-N 2 1 241.379 1.982 10 0 BDAEMP CCOCC1(C)CC[NH+](CCN)CC1 ZINC000409434867 383840446 /nfs/dbraw/zinc/84/04/46/383840446.db2.gz QZKPCACJYUHQQL-UHFFFAOYSA-N 2 1 200.326 1.084 10 0 BDAEMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000309134070 384079965 /nfs/dbraw/zinc/07/99/65/384079965.db2.gz RQYUVELDEMKLJB-UTLUCORTSA-N 2 1 205.305 1.513 10 0 BDAEMP Clc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cn1 ZINC000095069844 384335259 /nfs/dbraw/zinc/33/52/59/384335259.db2.gz VIYNONFVYLFDIT-SNVBAGLBSA-N 2 1 225.723 1.434 10 0 BDAEMP Cc1ccc(N(C)C2CC[NH2+]CC2)[nH+]c1 ZINC000095070639 384337073 /nfs/dbraw/zinc/33/70/73/384337073.db2.gz KQLADQYNECBVOB-UHFFFAOYSA-N 2 1 205.305 1.578 10 0 BDAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000095072286 384343100 /nfs/dbraw/zinc/34/31/00/384343100.db2.gz UHLNJSKGNKUQNR-NEPJUHHUSA-N 2 1 205.305 1.441 10 0 BDAEMP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)nc1C ZINC000313791487 384660378 /nfs/dbraw/zinc/66/03/78/384660378.db2.gz CTUXXIJXHUTUPQ-CYBMUJFWSA-N 2 1 233.359 1.930 10 0 BDAEMP C[N@@H+](Cc1ccncc1)C[C@H]1CC[NH2+]C1 ZINC000051889955 384701989 /nfs/dbraw/zinc/70/19/89/384701989.db2.gz YBQGKZRRHLEIHW-LBPRGKRZSA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+](Cc1ccncc1)C[C@H]1CC[NH2+]C1 ZINC000051889955 384701995 /nfs/dbraw/zinc/70/19/95/384701995.db2.gz YBQGKZRRHLEIHW-LBPRGKRZSA-N 2 1 205.305 1.123 10 0 BDAEMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000647551804 384753482 /nfs/dbraw/zinc/75/34/82/384753482.db2.gz NFUJICSCQDGWMR-UPJWGTAASA-N 2 1 224.348 1.097 10 0 BDAEMP CC[C@@H](COC)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000310022271 384790903 /nfs/dbraw/zinc/79/09/03/384790903.db2.gz NYEYBAFWLINVGF-QWRGUYRKSA-N 2 1 223.320 1.213 10 0 BDAEMP C[C@@H]([NH3+])CC[NH2+]Cc1cc(F)ccc1F ZINC000258820057 384940483 /nfs/dbraw/zinc/94/04/83/384940483.db2.gz UDMLZRGFUWMUOR-MRVPVSSYSA-N 2 1 214.259 1.792 10 0 BDAEMP Cc1ccc(F)c(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398339421 385055491 /nfs/dbraw/zinc/05/54/91/385055491.db2.gz FWJRDMKCNACAJS-NSHDSACASA-N 2 1 222.307 1.833 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000377496449 385073471 /nfs/dbraw/zinc/07/34/71/385073471.db2.gz MBULKGPJNKGBSL-LLVKDONJSA-N 2 1 205.305 1.730 10 0 BDAEMP Cc1ccc(O)c(CN(C)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000156017753 385428576 /nfs/dbraw/zinc/42/85/76/385428576.db2.gz SHYQWUOTDLSMSP-GFCCVEGCSA-N 2 1 249.358 1.479 10 0 BDAEMP CC(C)[NH2+]CCCNc1cc[nH+]cc1Cl ZINC000643003132 385499407 /nfs/dbraw/zinc/49/94/07/385499407.db2.gz PBBAUIDAYISDFH-UHFFFAOYSA-N 2 1 227.739 1.957 10 0 BDAEMP CCc1cc(N2CCC(C)([NH3+])CC2)nc(C)[nH+]1 ZINC000643029184 385524200 /nfs/dbraw/zinc/52/42/00/385524200.db2.gz LAZPITANYFBOSJ-UHFFFAOYSA-N 2 1 234.347 1.665 10 0 BDAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)CS1 ZINC000575535473 385905327 /nfs/dbraw/zinc/90/53/27/385905327.db2.gz VPZCFIIILCTJSJ-UTLUCORTSA-N 2 1 200.351 1.222 10 0 BDAEMP [NH3+]CC[C@@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616598351 385872961 /nfs/dbraw/zinc/87/29/61/385872961.db2.gz PHJZWRUXIXLGDV-CQSZACIVSA-N 2 1 234.343 1.626 10 0 BDAEMP Cc1cncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000310307150 386176694 /nfs/dbraw/zinc/17/66/94/386176694.db2.gz CXULSKYCEYRRKR-MELADBBJSA-N 2 1 231.343 1.559 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336666663 386293334 /nfs/dbraw/zinc/29/33/34/386293334.db2.gz LJSRWBHDGWSQKC-RYUDHWBXSA-N 2 1 228.380 1.277 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C1CCSCC1 ZINC000575593156 386356066 /nfs/dbraw/zinc/35/60/66/386356066.db2.gz YAVSAZNDESEZTJ-RKDXNWHRSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C1CCSCC1 ZINC000575593156 386356075 /nfs/dbraw/zinc/35/60/75/386356075.db2.gz YAVSAZNDESEZTJ-RKDXNWHRSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C[C@@H]2C)CS1 ZINC000575593056 386359316 /nfs/dbraw/zinc/35/93/16/386359316.db2.gz VMGHHFNQADQFJQ-JLIMGVALSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C[C@@H]2C)CS1 ZINC000575593056 386359320 /nfs/dbraw/zinc/35/93/20/386359320.db2.gz VMGHHFNQADQFJQ-JLIMGVALSA-N 2 1 200.351 1.302 10 0 BDAEMP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336745702 386997781 /nfs/dbraw/zinc/99/77/81/386997781.db2.gz VXAIFECSCHPYJQ-UPJWGTAASA-N 2 1 228.380 1.467 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1C1CCSCC1 ZINC000575593154 387224046 /nfs/dbraw/zinc/22/40/46/387224046.db2.gz YAVSAZNDESEZTJ-DTWKUNHWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1C1CCSCC1 ZINC000575593154 387224048 /nfs/dbraw/zinc/22/40/48/387224048.db2.gz YAVSAZNDESEZTJ-DTWKUNHWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]12C[C@H]([NH3+])CO2 ZINC000575508444 387370963 /nfs/dbraw/zinc/37/09/63/387370963.db2.gz LXOGYKJKBIUWKC-AEGPPILISA-N 2 1 246.354 1.767 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643454661 387386188 /nfs/dbraw/zinc/38/61/88/387386188.db2.gz LDXCZWQCGPSSJG-YNEHKIRRSA-N 2 1 237.391 1.201 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643454661 387386190 /nfs/dbraw/zinc/38/61/90/387386190.db2.gz LDXCZWQCGPSSJG-YNEHKIRRSA-N 2 1 237.391 1.201 10 0 BDAEMP [NH3+]C[C@H]1CC[N@@H+]1[C@@H]1CCCSCC1 ZINC000575513655 387388453 /nfs/dbraw/zinc/38/84/53/387388453.db2.gz DRKRHAOHQPLIMA-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]C[C@H]1CC[N@H+]1[C@@H]1CCCSCC1 ZINC000575513655 387388457 /nfs/dbraw/zinc/38/84/57/387388457.db2.gz DRKRHAOHQPLIMA-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CS1 ZINC000575535472 387575053 /nfs/dbraw/zinc/57/50/53/387575053.db2.gz VPZCFIIILCTJSJ-OPRDCNLKSA-N 2 1 200.351 1.222 10 0 BDAEMP CS[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000575545850 387630438 /nfs/dbraw/zinc/63/04/38/387630438.db2.gz QXNYRCCBVLDIKI-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H]([NH3+])C1 ZINC000575545850 387630443 /nfs/dbraw/zinc/63/04/43/387630443.db2.gz QXNYRCCBVLDIKI-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+](C2CSC2)[C@H]1C ZINC000575565182 387720811 /nfs/dbraw/zinc/72/08/11/387720811.db2.gz GFUHQETXYAVSIY-OYNCUSHFSA-N 2 1 200.351 1.159 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](C2CSC2)[C@H](C)C1 ZINC000575565158 387727955 /nfs/dbraw/zinc/72/79/55/387727955.db2.gz DSRMDHFTRCFQGL-RKDXNWHRSA-N 2 1 200.351 1.174 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](C2CSC2)[C@H](C)C1 ZINC000575565158 387727961 /nfs/dbraw/zinc/72/79/61/387727961.db2.gz DSRMDHFTRCFQGL-RKDXNWHRSA-N 2 1 200.351 1.174 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000169213240 387799967 /nfs/dbraw/zinc/79/99/67/387799967.db2.gz QWSAMBJYQKQNTE-GZMMTYOYSA-N 2 1 241.722 1.287 10 0 BDAEMP CC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000083462741 388053208 /nfs/dbraw/zinc/05/32/08/388053208.db2.gz KDRYYXBBICZMMA-PSEXLTFBSA-N 2 1 226.364 1.362 10 0 BDAEMP CC(C)(C)[C@@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308638601 388446209 /nfs/dbraw/zinc/44/62/09/388446209.db2.gz XQYWZEZDUYWVAT-LBPRGKRZSA-N 2 1 242.407 1.857 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CC[N@@H+]1C ZINC000247962707 388671682 /nfs/dbraw/zinc/67/16/82/388671682.db2.gz GJTYHAYZPGVWJW-XJFOESAGSA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CC[N@H+]1C ZINC000247962707 388671684 /nfs/dbraw/zinc/67/16/84/388671684.db2.gz GJTYHAYZPGVWJW-XJFOESAGSA-N 2 1 240.391 1.610 10 0 BDAEMP Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000274402536 132202870 /nfs/dbraw/zinc/20/28/70/132202870.db2.gz YCBYBKLOUDAXIU-OLZOCXBDSA-N 2 1 249.358 1.281 10 0 BDAEMP Cc1cccnc1N1CC[NH+](C[C@@H](C)C[NH3+])CC1 ZINC000051040739 132359795 /nfs/dbraw/zinc/35/97/95/132359795.db2.gz MXRATCOJXVTNMF-LBPRGKRZSA-N 2 1 248.374 1.107 10 0 BDAEMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417309 132362235 /nfs/dbraw/zinc/36/22/35/132362235.db2.gz QROKAWNVMJHCNW-CQSZACIVSA-N 2 1 247.386 1.807 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]C1 ZINC000252092033 135083968 /nfs/dbraw/zinc/08/39/68/135083968.db2.gz DUSAGAPADCQHOE-OLZOCXBDSA-N 2 1 225.380 1.202 10 0 BDAEMP CCSCC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527747 135151760 /nfs/dbraw/zinc/15/17/60/135151760.db2.gz GRYRXQDLPHDYPW-JTQLQIEISA-N 2 1 216.394 1.799 10 0 BDAEMP CCc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000261548817 135187672 /nfs/dbraw/zinc/18/76/72/135187672.db2.gz FGIJBMOROSHGLO-GWCFXTLKSA-N 2 1 248.374 1.911 10 0 BDAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@H]21 ZINC000261550471 135189339 /nfs/dbraw/zinc/18/93/39/135189339.db2.gz NSQLNZQOKSLEOO-IACUBPJLSA-N 2 1 249.333 1.780 10 0 BDAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]21 ZINC000261550471 135189340 /nfs/dbraw/zinc/18/93/40/135189340.db2.gz NSQLNZQOKSLEOO-IACUBPJLSA-N 2 1 249.333 1.780 10 0 BDAEMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261557931 135198325 /nfs/dbraw/zinc/19/83/25/135198325.db2.gz CWDLRSRMHGQJNW-QMMMGPOBSA-N 2 1 248.330 1.244 10 0 BDAEMP CC(C)COCC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261576627 135217637 /nfs/dbraw/zinc/21/76/37/135217637.db2.gz KLOHFBKKVPSMTA-GFCCVEGCSA-N 2 1 228.380 1.718 10 0 BDAEMP CN(C)c1nc(N2CC[C@@H]([NH3+])C(C)(C)C2)cc[nH+]1 ZINC000261576806 135218581 /nfs/dbraw/zinc/21/85/81/135218581.db2.gz OAOHQTNCQCUYHX-SNVBAGLBSA-N 2 1 249.362 1.106 10 0 BDAEMP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@H]1[NH3+] ZINC000261582057 135222698 /nfs/dbraw/zinc/22/26/98/135222698.db2.gz OALVQOBKJWZXIC-GFCCVEGCSA-N 2 1 226.364 1.472 10 0 BDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC000262188891 135284624 /nfs/dbraw/zinc/28/46/24/135284624.db2.gz YBVVTEVNSVYZKM-JQWIXIFHSA-N 2 1 240.734 1.010 10 0 BDAEMP C[C@@H]1C[C@@H](O)C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000401640201 533673676 /nfs/dbraw/zinc/67/36/76/533673676.db2.gz DVYVADPMXFUNEL-HZSPNIEDSA-N 2 1 240.391 1.564 10 0 BDAEMP C[C@@H]1C[C@@H](O)C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000401640201 533673680 /nfs/dbraw/zinc/67/36/80/533673680.db2.gz DVYVADPMXFUNEL-HZSPNIEDSA-N 2 1 240.391 1.564 10 0 BDAEMP C[C@@H]1C[C@@H](O)C[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000401640201 533673690 /nfs/dbraw/zinc/67/36/90/533673690.db2.gz DVYVADPMXFUNEL-HZSPNIEDSA-N 2 1 240.391 1.564 10 0 BDAEMP CCc1cc(N[C@H]2C[NH2+]CC[C@H]2C)nc(C)[nH+]1 ZINC000389706698 398125258 /nfs/dbraw/zinc/12/52/58/398125258.db2.gz OKJCXHNHPXBVHF-SKDRFNHKSA-N 2 1 234.347 1.757 10 0 BDAEMP CC(C)([NH3+])CNc1cc(NC2CC2)[nH+]cn1 ZINC000258554809 322875365 /nfs/dbraw/zinc/87/53/65/322875365.db2.gz AXQBOYXTXKZNOT-UHFFFAOYSA-N 2 1 221.308 1.200 10 0 BDAEMP CC(C)OCCC[N@@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886686 167216724 /nfs/dbraw/zinc/21/67/24/167216724.db2.gz UPTKTKPDFABHJM-GFCCVEGCSA-N 2 1 244.379 1.240 10 0 BDAEMP CC(C)OCCC[N@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886686 167216725 /nfs/dbraw/zinc/21/67/25/167216725.db2.gz UPTKTKPDFABHJM-GFCCVEGCSA-N 2 1 244.379 1.240 10 0 BDAEMP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000070073323 167111778 /nfs/dbraw/zinc/11/17/78/167111778.db2.gz PPOYMVVCUXQABR-KGLIPLIRSA-N 2 1 242.407 1.979 10 0 BDAEMP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310529300 411240507 /nfs/dbraw/zinc/24/05/07/411240507.db2.gz PMPMTZOGJQEVEJ-SAXRGWBVSA-N 2 1 231.343 1.812 10 0 BDAEMP [NH3+]C1(CNc2cc[nH+]cc2Cl)CCCC1 ZINC000656610211 411308893 /nfs/dbraw/zinc/30/88/93/411308893.db2.gz QJGUDSVQRPBRFZ-UHFFFAOYSA-N 2 1 225.723 1.840 10 0 BDAEMP CN(C)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000062965786 411334517 /nfs/dbraw/zinc/33/45/17/411334517.db2.gz GNTBONZGZOSQPQ-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP CC[N@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)S2)C1 ZINC000037484500 170007322 /nfs/dbraw/zinc/00/73/22/170007322.db2.gz MPRXVAJHBOOTEV-UWVGGRQHSA-N 2 1 227.377 1.409 10 0 BDAEMP CC[NH2+]C1CCN([C@@H]2CC[N@H+]3CCC[C@H]23)CC1 ZINC000049568621 170109173 /nfs/dbraw/zinc/10/91/73/170109173.db2.gz XTXXBFZFNRDSTG-ZIAGYGMSSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CCC(CC)CC1 ZINC000042515655 170119212 /nfs/dbraw/zinc/11/92/12/170119212.db2.gz WILPMBIEGZTDCU-JXQTWKCFSA-N 2 1 242.407 1.857 10 0 BDAEMP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+](CC)CCOC)O1 ZINC000052542778 170123782 /nfs/dbraw/zinc/12/37/82/170123782.db2.gz RVTOYABDGNKDME-CHWSQXEVSA-N 2 1 244.379 1.112 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1CCCC[C@@H]1CO ZINC000053877169 170151095 /nfs/dbraw/zinc/15/10/95/170151095.db2.gz GZJUWNKFJJDCKU-MGPQQGTHSA-N 2 1 240.391 1.611 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)[C@@H]2CCCO2)C[C@@H]1C ZINC000049711069 170151671 /nfs/dbraw/zinc/15/16/71/170151671.db2.gz YTOKGHMPHAFXEO-FQUUOJAGSA-N 2 1 240.391 1.874 10 0 BDAEMP CC[NH2+][C@H](C)CCC[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000053244796 170156970 /nfs/dbraw/zinc/15/69/70/170156970.db2.gz SLMJXFHENIEKKD-ZIAGYGMSSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000082380078 171161780 /nfs/dbraw/zinc/16/17/80/171161780.db2.gz WOULTZNLOCKBHN-CHWSQXEVSA-N 2 1 204.317 1.998 10 0 BDAEMP CC[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000082380078 171161785 /nfs/dbraw/zinc/16/17/85/171161785.db2.gz WOULTZNLOCKBHN-CHWSQXEVSA-N 2 1 204.317 1.998 10 0 BDAEMP CC[C@H](C)[N@@H+](CCOC)Cc1occc1C[NH3+] ZINC000052547306 171315744 /nfs/dbraw/zinc/31/57/44/171315744.db2.gz KDAIORVVQLPAKH-NSHDSACASA-N 2 1 240.347 1.985 10 0 BDAEMP C[C@H]1CC[C@H](Nc2cc[nH+]c(N(C)C)n2)C[NH2+]1 ZINC000630533812 412262794 /nfs/dbraw/zinc/26/27/94/412262794.db2.gz RRDLMAVVMCSHLW-UWVGGRQHSA-N 2 1 235.335 1.095 10 0 BDAEMP CCc1[nH+]ccn1Cc1cc(C[NH3+])co1 ZINC000052593072 172027382 /nfs/dbraw/zinc/02/73/82/172027382.db2.gz XNMDAAPVTIHMJN-UHFFFAOYSA-N 2 1 205.261 1.546 10 0 BDAEMP CCn1cc[nH+]c1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000053704636 172226019 /nfs/dbraw/zinc/22/60/19/172226019.db2.gz CBEHAMZRHJYSCY-WDEREUQCSA-N 2 1 222.336 1.467 10 0 BDAEMP CN(C)C(C)(C)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628721 172393604 /nfs/dbraw/zinc/39/36/04/172393604.db2.gz UHCKFTCPZLWQNB-YOGCLGLASA-N 2 1 225.380 1.281 10 0 BDAEMP CN(C)C(C)(C)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628721 172393607 /nfs/dbraw/zinc/39/36/07/172393607.db2.gz UHCKFTCPZLWQNB-YOGCLGLASA-N 2 1 225.380 1.281 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]CCn1ccnc1 ZINC000049857921 173004836 /nfs/dbraw/zinc/00/48/36/173004836.db2.gz OGCBRRFJQJGUNB-CYBMUJFWSA-N 2 1 236.363 1.347 10 0 BDAEMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[C@@H]1O ZINC000352669585 173005456 /nfs/dbraw/zinc/00/54/56/173005456.db2.gz BBJDJFMQACOZJA-MCIONIFRSA-N 2 1 240.391 1.706 10 0 BDAEMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[C@@H]1O ZINC000352669585 173005457 /nfs/dbraw/zinc/00/54/57/173005457.db2.gz BBJDJFMQACOZJA-MCIONIFRSA-N 2 1 240.391 1.706 10 0 BDAEMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[C@@H]1O ZINC000352669585 173005460 /nfs/dbraw/zinc/00/54/60/173005460.db2.gz BBJDJFMQACOZJA-MCIONIFRSA-N 2 1 240.391 1.706 10 0 BDAEMP C[N@@H+]1CCCC[C@@H]1CNC1=[NH+]CCCS1 ZINC000044563783 173005710 /nfs/dbraw/zinc/00/57/10/173005710.db2.gz YVQUANXORWPNSU-SNVBAGLBSA-N 2 1 227.377 1.553 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CNC1=[NH+]CCCS1 ZINC000044563783 173005713 /nfs/dbraw/zinc/00/57/13/173005713.db2.gz YVQUANXORWPNSU-SNVBAGLBSA-N 2 1 227.377 1.553 10 0 BDAEMP CN1CCC[C@H]([N@@H+](C)Cc2cccc(C[NH3+])c2)C1 ZINC000053205826 173043930 /nfs/dbraw/zinc/04/39/30/173043930.db2.gz ZCEROLGZVMFKSK-HNNXBMFYSA-N 2 1 247.386 1.671 10 0 BDAEMP CN(Cc1cccc(C[NH3+])c1)[C@H]1CCC[N@H+](C)C1 ZINC000053205826 173043933 /nfs/dbraw/zinc/04/39/33/173043933.db2.gz ZCEROLGZVMFKSK-HNNXBMFYSA-N 2 1 247.386 1.671 10 0 BDAEMP CN(Cc1cccc(C[NH3+])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000053205826 173043935 /nfs/dbraw/zinc/04/39/35/173043935.db2.gz ZCEROLGZVMFKSK-HNNXBMFYSA-N 2 1 247.386 1.671 10 0 BDAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CCCO ZINC000305660231 173049966 /nfs/dbraw/zinc/04/99/66/173049966.db2.gz XTJQPJFJUIRLEF-UONOGXRCSA-N 2 1 240.391 1.708 10 0 BDAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000305660231 173049968 /nfs/dbraw/zinc/04/99/68/173049968.db2.gz XTJQPJFJUIRLEF-UONOGXRCSA-N 2 1 240.391 1.708 10 0 BDAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CCCO ZINC000305660231 173049971 /nfs/dbraw/zinc/04/99/71/173049971.db2.gz XTJQPJFJUIRLEF-UONOGXRCSA-N 2 1 240.391 1.708 10 0 BDAEMP C[NH+]1CCC[C@H]1CC(O)C[C@H]1CCC[N@@H+]1C ZINC000013459104 173051460 /nfs/dbraw/zinc/05/14/60/173051460.db2.gz UOJNOOLFFFFKNA-FUNVUKJBSA-N 2 1 226.364 1.316 10 0 in-vitro BDAEMP C[NH+]1CCC[C@@H]1CC(O)C[C@@H]1CCC[N@@H+]1C ZINC000013459104 173051464 /nfs/dbraw/zinc/05/14/64/173051464.db2.gz UOJNOOLFFFFKNA-FUNVUKJBSA-N 2 1 226.364 1.316 10 0 in-vitro BDAEMP C[NH+]1CCC[C@@H]1CC(O)C[C@@H]1CCC[N@H+]1C ZINC000013459104 173051467 /nfs/dbraw/zinc/05/14/67/173051467.db2.gz UOJNOOLFFFFKNA-FUNVUKJBSA-N 2 1 226.364 1.316 10 0 in-vitro BDAEMP C[N@H+]1CCN(C2(C[NH3+])CCCCC2)CC1(C)C ZINC000104144178 173075813 /nfs/dbraw/zinc/07/58/13/173075813.db2.gz WHDROHNNKIKRLR-UHFFFAOYSA-N 2 1 239.407 1.674 10 0 BDAEMP C[NH+]1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952272 173079526 /nfs/dbraw/zinc/07/95/26/173079526.db2.gz ZTQOLNRMVFYCCG-CYBMUJFWSA-N 2 1 225.380 1.156 10 0 BDAEMP C[NH+]1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053861668 173084838 /nfs/dbraw/zinc/08/48/38/173084838.db2.gz ULIGJCBISDVBBF-OLZOCXBDSA-N 2 1 225.380 1.141 10 0 BDAEMP C[NH2+]C(C)(C)CN(C)[C@H]1CCC[N@@H+](C)C1 ZINC000061319843 173319802 /nfs/dbraw/zinc/31/98/02/173319802.db2.gz QEXKKAXWMQZEOV-NSHDSACASA-N 2 1 213.369 1.010 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000051209563 173337641 /nfs/dbraw/zinc/33/76/41/173337641.db2.gz ZOFDUYIRHWUBFN-BETUJISGSA-N 2 1 240.391 1.875 10 0 BDAEMP C[NH2+]CC1(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000051209563 173337642 /nfs/dbraw/zinc/33/76/42/173337642.db2.gz ZOFDUYIRHWUBFN-BETUJISGSA-N 2 1 240.391 1.875 10 0 BDAEMP C[NH2+]CC1(C[N@@H+](C)C2CCOCC2)CCCC1 ZINC000051218263 173338009 /nfs/dbraw/zinc/33/80/09/173338009.db2.gz JAJMVOQAAIXCFL-UHFFFAOYSA-N 2 1 240.391 1.877 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011892008 173371079 /nfs/dbraw/zinc/37/10/79/173371079.db2.gz DHXOXOLPUZFYBY-AWEZNQCLSA-N 2 1 248.370 1.779 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@H+]2CCCSCC2)CCOC1 ZINC000051284263 173373573 /nfs/dbraw/zinc/37/35/73/173373573.db2.gz CUQNGLUIZUOBNJ-GFCCVEGCSA-N 2 1 244.404 1.051 10 0 BDAEMP C[NH2+]C[C@]1(C[N@@H+](C)CC(C)(C)C)CCCOC1 ZINC000104307437 173383748 /nfs/dbraw/zinc/38/37/48/173383748.db2.gz ZFEIPIZVYMPLPC-AWEZNQCLSA-N 2 1 242.407 1.981 10 0 BDAEMP C[NH2+]Cc1cccnc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191644 173391317 /nfs/dbraw/zinc/39/13/17/173391317.db2.gz JTTFARBZRWIFTD-GFCCVEGCSA-N 2 1 248.374 1.189 10 0 BDAEMP COCCC[N@@H+](CCCCC(N)=[NH2+])CCOC ZINC000042422667 174222872 /nfs/dbraw/zinc/22/28/72/174222872.db2.gz KWHMUSZFRCUFMH-UHFFFAOYSA-N 2 1 245.367 1.078 10 0 BDAEMP COCCC[N@H+](CCOC)CC1([NH3+])CCCC1 ZINC000042425448 174224249 /nfs/dbraw/zinc/22/42/49/174224249.db2.gz YRJHZKKZAZHPGW-UHFFFAOYSA-N 2 1 244.379 1.243 10 0 BDAEMP COCCC[N@@H+](CCOC)CC1([NH3+])CCCC1 ZINC000042425448 174224250 /nfs/dbraw/zinc/22/42/50/174224250.db2.gz YRJHZKKZAZHPGW-UHFFFAOYSA-N 2 1 244.379 1.243 10 0 BDAEMP COCC[N@@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000042517606 174284874 /nfs/dbraw/zinc/28/48/74/174284874.db2.gz WYMOZTQVCJPNFN-YRGRVCCFSA-N 2 1 240.391 1.861 10 0 BDAEMP COCC[N@H+](C[C@@H]1CCCC[NH2+]1)[C@@H](C)C1CC1 ZINC000042689333 174296979 /nfs/dbraw/zinc/29/69/79/174296979.db2.gz YFTAXHZQNSNFLJ-JSGCOSHPSA-N 2 1 240.391 1.875 10 0 BDAEMP COCC[N@@H+](C[C@@H]1CCCC[NH2+]1)[C@@H](C)C1CC1 ZINC000042689333 174296981 /nfs/dbraw/zinc/29/69/81/174296981.db2.gz YFTAXHZQNSNFLJ-JSGCOSHPSA-N 2 1 240.391 1.875 10 0 BDAEMP COCC[N@@H+]([C@@H](C[NH3+])C(C)(C)C)[C@@H](C)COC ZINC000042603097 174303044 /nfs/dbraw/zinc/30/30/44/174303044.db2.gz MOXOOLPOKATDTN-RYUDHWBXSA-N 2 1 246.395 1.343 10 0 BDAEMP COCC[N@H+]([C@@H](C[NH3+])C(C)(C)C)[C@@H](C)COC ZINC000042603097 174303045 /nfs/dbraw/zinc/30/30/45/174303045.db2.gz MOXOOLPOKATDTN-RYUDHWBXSA-N 2 1 246.395 1.343 10 0 BDAEMP COCC[NH2+]Cc1ccccc1-n1cc[nH+]c1C ZINC000062738630 174335722 /nfs/dbraw/zinc/33/57/22/174335722.db2.gz KLCAKCSBAAYQPW-UHFFFAOYSA-N 2 1 245.326 1.917 10 0 BDAEMP C[C@@H](c1cccc(O)c1)[NH+]1CCC([NH3+])CC1 ZINC000020521449 176019214 /nfs/dbraw/zinc/01/92/14/176019214.db2.gz HMZWBKOAXLOJCB-JTQLQIEISA-N 2 1 220.316 1.876 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCOC1 ZINC000019913142 176070895 /nfs/dbraw/zinc/07/08/95/176070895.db2.gz UUUYAXISSLOIIL-KGLIPLIRSA-N 2 1 240.391 1.877 10 0 BDAEMP C[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCCOCC2)C1 ZINC000061916616 176151119 /nfs/dbraw/zinc/15/11/19/176151119.db2.gz FGWJJXRXLQCEHY-OLZOCXBDSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2cccnc2C[NH3+])C1 ZINC000061656659 176175174 /nfs/dbraw/zinc/17/51/74/176175174.db2.gz ICHCKKXXNMIKRD-SNVBAGLBSA-N 2 1 205.305 1.382 10 0 BDAEMP C[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1[NH3+] ZINC000302252394 176287373 /nfs/dbraw/zinc/28/73/73/176287373.db2.gz LEEPTTAGVCAKLI-OCCSQVGLSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1[NH3+] ZINC000302252394 176287374 /nfs/dbraw/zinc/28/73/74/176287374.db2.gz LEEPTTAGVCAKLI-OCCSQVGLSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@@H]1C[N@@H+](CCc2ccncc2)CC[C@@H]1[NH3+] ZINC000049712953 176294251 /nfs/dbraw/zinc/29/42/51/176294251.db2.gz BQPLIKLYVZESOT-YPMHNXCESA-N 2 1 219.332 1.293 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccc(C(N)=[NH2+])cc2)CCO1 ZINC000019470715 176303022 /nfs/dbraw/zinc/30/30/22/176303022.db2.gz RSRXALDEWKVAHF-SNVBAGLBSA-N 2 1 233.315 1.191 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)CCO1 ZINC000019470715 176303023 /nfs/dbraw/zinc/30/30/23/176303023.db2.gz RSRXALDEWKVAHF-SNVBAGLBSA-N 2 1 233.315 1.191 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2cccc(C[NH3+])c2)[C@H](C)CO1 ZINC000035782979 176306345 /nfs/dbraw/zinc/30/63/45/176306345.db2.gz SPYKDNNQICEYIY-VXGBXAGGSA-N 2 1 234.343 1.755 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)[C@H](C)CO1 ZINC000035782979 176306347 /nfs/dbraw/zinc/30/63/47/176306347.db2.gz SPYKDNNQICEYIY-VXGBXAGGSA-N 2 1 234.343 1.755 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH3+])CCO1 ZINC000021955947 176307767 /nfs/dbraw/zinc/30/77/67/176307767.db2.gz OTNQUUBRJMXRKD-LLVKDONJSA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH3+])CCO1 ZINC000021955947 176307771 /nfs/dbraw/zinc/30/77/71/176307771.db2.gz OTNQUUBRJMXRKD-LLVKDONJSA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000044510702 176324864 /nfs/dbraw/zinc/32/48/64/176324864.db2.gz JGHTZZBLORDYRR-OLZOCXBDSA-N 2 1 226.364 1.487 10 0 BDAEMP C[C@@H]1COCC[N@H+]1CC1CCC([NH3+])CC1 ZINC000037482473 176336655 /nfs/dbraw/zinc/33/66/55/176336655.db2.gz PJYNRQKZXFRVQY-VOMCLLRMSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@H]1CCCC[N@H+]1Cc1cc(C[NH3+])no1 ZINC000052378888 177077150 /nfs/dbraw/zinc/07/71/50/177077150.db2.gz GJTRXHJEWFIWNN-VIFPVBQESA-N 2 1 209.293 1.508 10 0 BDAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)CCC[NH2+]1 ZINC000061148136 177162304 /nfs/dbraw/zinc/16/23/04/177162304.db2.gz HIPDKSQRJLGBOO-RYUDHWBXSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000216508291 177238734 /nfs/dbraw/zinc/23/87/34/177238734.db2.gz MQDUWQXQEPACQP-XUXIUFHCSA-N 2 1 240.391 1.731 10 0 BDAEMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000061934638 177254470 /nfs/dbraw/zinc/25/44/70/177254470.db2.gz JQBZDBYQVDDUSV-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@H]1C[N@H+](Cc2cccnc2C[NH3+])CC(C)(C)O1 ZINC000061656889 177267087 /nfs/dbraw/zinc/26/70/87/177267087.db2.gz ZCSUEIJJTJALHI-NSHDSACASA-N 2 1 249.358 1.540 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cccnc2C[NH3+])CC(C)(C)O1 ZINC000061656889 177267089 /nfs/dbraw/zinc/26/70/89/177267089.db2.gz ZCSUEIJJTJALHI-NSHDSACASA-N 2 1 249.358 1.540 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2occc2C[NH3+])CCCO1 ZINC000061935396 177272403 /nfs/dbraw/zinc/27/24/03/177272403.db2.gz MQJITZGXLVWXRF-JTQLQIEISA-N 2 1 224.304 1.349 10 0 BDAEMP C[C@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251605521 177292849 /nfs/dbraw/zinc/29/28/49/177292849.db2.gz DGLNBRMGYRDOSQ-NWDGAFQWSA-N 2 1 212.337 1.097 10 0 BDAEMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)nc1C ZINC000400379903 225103470 /nfs/dbraw/zinc/10/34/70/225103470.db2.gz WSSHSTZFNUFMIQ-QWHCGFSZSA-N 2 1 233.359 1.786 10 0 BDAEMP C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666771 487714851 /nfs/dbraw/zinc/71/48/51/487714851.db2.gz QRZPYRYCLKTNFE-CHWSQXEVSA-N 2 1 226.364 1.629 10 0 BDAEMP OCC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000300215278 487772085 /nfs/dbraw/zinc/77/20/85/487772085.db2.gz VYXXIGQJYFKZDW-STQMWFEESA-N 2 1 226.364 1.080 10 0 BDAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C[C@@H]1CC[NH2+]C1 ZINC000251603658 487775393 /nfs/dbraw/zinc/77/53/93/487775393.db2.gz DEMDAZZJOXXXPM-MCIONIFRSA-N 2 1 237.391 1.155 10 0 BDAEMP Fc1cc(F)cc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398340109 323008032 /nfs/dbraw/zinc/00/80/32/323008032.db2.gz GHJDDZBKIKPUHO-VIFPVBQESA-N 2 1 226.270 1.664 10 0 BDAEMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000248577706 323025652 /nfs/dbraw/zinc/02/56/52/323025652.db2.gz HUJJEEFBVASECJ-XQQFMLRXSA-N 2 1 226.364 1.628 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562958477 323035183 /nfs/dbraw/zinc/03/51/83/323035183.db2.gz JUTDDTHQMVHTPY-MGPQQGTHSA-N 2 1 239.407 1.448 10 0 BDAEMP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562958477 323035184 /nfs/dbraw/zinc/03/51/84/323035184.db2.gz JUTDDTHQMVHTPY-MGPQQGTHSA-N 2 1 239.407 1.448 10 0 BDAEMP C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)O1 ZINC000226449315 488086089 /nfs/dbraw/zinc/08/60/89/488086089.db2.gz HOHHSTDJVKTSCG-UPJWGTAASA-N 2 1 226.364 1.628 10 0 BDAEMP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000086728145 487540133 /nfs/dbraw/zinc/54/01/33/487540133.db2.gz HFGGTLSTOMOIPJ-VXGBXAGGSA-N 2 1 202.301 1.278 10 0 BDAEMP CSc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000259032272 490077857 /nfs/dbraw/zinc/07/78/57/490077857.db2.gz OUJIAGAAABRBEP-GFCCVEGCSA-N 2 1 236.384 1.903 10 0 BDAEMP Cc1cc(NCCC2(C[NH3+])CC2)nc(C)[nH+]1 ZINC000395919186 487703259 /nfs/dbraw/zinc/70/32/59/487703259.db2.gz WOWYLBXXHUJPNE-UHFFFAOYSA-N 2 1 220.320 1.056 10 0 BDAEMP C[C@H](CC1CCC1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679037444 488304382 /nfs/dbraw/zinc/30/43/82/488304382.db2.gz TWRXQURMCKYPNN-GFCCVEGCSA-N 2 1 240.391 1.611 10 0 BDAEMP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127996420 490567726 /nfs/dbraw/zinc/56/77/26/490567726.db2.gz XSNCLKOMIIAARE-MCIONIFRSA-N 2 1 238.375 1.772 10 0 BDAEMP CC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CC[C@H]1[NH3+] ZINC000251729834 491079604 /nfs/dbraw/zinc/07/96/04/491079604.db2.gz KIRBANQEYDGZJD-VXGBXAGGSA-N 2 1 234.347 1.657 10 0 BDAEMP COCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757133746 582509972 /nfs/dbraw/zinc/50/99/72/582509972.db2.gz UBXGLMPGVVJKSP-STQMWFEESA-N 2 1 226.364 1.629 10 0 BDAEMP CC[C@]1(C)CCO[C@@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757146315 582529615 /nfs/dbraw/zinc/52/96/15/582529615.db2.gz KOOCTDPSEOUFND-CHWSQXEVSA-N 2 1 226.364 1.977 10 0 BDAEMP CCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C[C@H]1C ZINC000252474380 520597082 /nfs/dbraw/zinc/59/70/82/520597082.db2.gz CGWBZSHGQZUAJT-KGLIPLIRSA-N 2 1 239.407 1.545 10 0 BDAEMP CCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C[C@H]1C ZINC000252474381 520597102 /nfs/dbraw/zinc/59/71/02/520597102.db2.gz CGWBZSHGQZUAJT-ZIAGYGMSSA-N 2 1 239.407 1.545 10 0 BDAEMP CC[N@@H+](CCN[C@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400501629 528518095 /nfs/dbraw/zinc/51/80/95/528518095.db2.gz GWMPPTWFWQULMT-VXGBXAGGSA-N 2 1 225.380 1.058 10 0 BDAEMP CCN(CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400501629 528518097 /nfs/dbraw/zinc/51/80/97/528518097.db2.gz GWMPPTWFWQULMT-VXGBXAGGSA-N 2 1 225.380 1.058 10 0 BDAEMP CC(C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400539136 528548526 /nfs/dbraw/zinc/54/85/26/528548526.db2.gz UJLASJXAYDGVDY-UTUOFQBUSA-N 2 1 214.353 1.124 10 0 BDAEMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400425274 528819125 /nfs/dbraw/zinc/81/91/25/528819125.db2.gz YITXVUWVORYLEW-STQMWFEESA-N 2 1 227.396 1.304 10 0 BDAEMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400425274 528819131 /nfs/dbraw/zinc/81/91/31/528819131.db2.gz YITXVUWVORYLEW-STQMWFEESA-N 3 1 227.396 1.304 10 0 BDAEMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400425274 528819135 /nfs/dbraw/zinc/81/91/35/528819135.db2.gz YITXVUWVORYLEW-STQMWFEESA-N 3 1 227.396 1.304 10 0 BDAEMP CCc1nc(N2CC[C@H](C)C[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000261563045 536125260 /nfs/dbraw/zinc/12/52/60/536125260.db2.gz GTMAGNZVKKXALO-JQWIXIFHSA-N 2 1 248.374 1.911 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CCO)C1 ZINC000252742237 536357850 /nfs/dbraw/zinc/35/78/50/536357850.db2.gz JQRICNAUWKGZMH-KGLIPLIRSA-N 2 1 240.391 1.565 10 0 BDAEMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000252742237 536357853 /nfs/dbraw/zinc/35/78/53/536357853.db2.gz JQRICNAUWKGZMH-KGLIPLIRSA-N 2 1 240.391 1.565 10 0 BDAEMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](CCO)C1 ZINC000252742237 536357855 /nfs/dbraw/zinc/35/78/55/536357855.db2.gz JQRICNAUWKGZMH-KGLIPLIRSA-N 2 1 240.391 1.565 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(OC)c(C)c1 ZINC000725262835 538089393 /nfs/dbraw/zinc/08/93/93/538089393.db2.gz XXXFDZFAQGWONK-JSGCOSHPSA-N 2 1 234.343 1.798 10 0 BDAEMP CCOc1cccc([C@H]2C[NH2+]C[C@@]2([NH3+])CC)c1 ZINC000725262845 538089696 /nfs/dbraw/zinc/08/96/96/538089696.db2.gz ZEESSATXXNMXMN-KGLIPLIRSA-N 2 1 234.343 1.880 10 0 BDAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757148541 582533210 /nfs/dbraw/zinc/53/32/10/582533210.db2.gz VFWSDKLJQMRKHV-CQSZACIVSA-N 2 1 238.375 1.979 10 0 BDAEMP C[C@H]1O[C@]2(CCC[N@@H+](C)CC2)[NH2+]CC1(C)C ZINC000757150365 582534809 /nfs/dbraw/zinc/53/48/09/582534809.db2.gz QTIOVCLAZWQVNF-YPMHNXCESA-N 2 1 226.364 1.833 10 0 BDAEMP C1CCC2(C1)C[NH2+]C1(CC[NH2+]CC1)OC2 ZINC000757150910 582535067 /nfs/dbraw/zinc/53/50/67/582535067.db2.gz ZHEFENQJQQOLBV-UHFFFAOYSA-N 2 1 210.321 1.246 10 0 BDAEMP CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399262394 583172719 /nfs/dbraw/zinc/17/27/19/583172719.db2.gz QKRXYFAJZXSPFR-GXTWGEPZSA-N 2 1 240.391 1.611 10 0 BDAEMP COCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757130860 586426517 /nfs/dbraw/zinc/42/65/17/586426517.db2.gz OKFGBVQXBQCOFL-CHWSQXEVSA-N 2 1 226.364 1.487 10 0 BDAEMP CC(C)(C)[C@@H]1CCOC2(CC[NH2+]CC2)[NH2+]1 ZINC000757139711 586427703 /nfs/dbraw/zinc/42/77/03/586427703.db2.gz JJDUQTAUMZMEQS-JTQLQIEISA-N 2 1 212.337 1.491 10 0 BDAEMP CC(C)(C)n1cc([C@H]2C[NH2+]C[C@H]([NH3+])C2)cn1 ZINC000757210056 586438363 /nfs/dbraw/zinc/43/83/63/586438363.db2.gz AESNXPVSRNLRSM-MWLCHTKSSA-N 2 1 222.336 1.042 10 0 BDAEMP C[C@@H]1CC[C@@H](N)[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757214542 586440240 /nfs/dbraw/zinc/44/02/40/586440240.db2.gz MPKYWJCYNHTCOS-WQAKAFBOSA-N 2 1 219.332 1.286 10 0 BDAEMP c1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132265773 591697223 /nfs/dbraw/zinc/69/72/23/591697223.db2.gz RFQRFQNKMXYSAS-WCQYABFASA-N 2 1 232.327 1.709 10 0 BDAEMP [NH3+]CCCCCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000086933027 631473173 /nfs/dbraw/zinc/47/31/73/631473173.db2.gz SWSDTDKUQYLDSX-CYBMUJFWSA-N 2 1 225.380 1.286 10 0 BDAEMP C[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309103755 631879665 /nfs/dbraw/zinc/87/96/65/631879665.db2.gz GZGDVSBWBVTQHY-OUAUKWLOSA-N 2 1 205.305 1.586 10 0 BDAEMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000309756797 632665524 /nfs/dbraw/zinc/66/55/24/632665524.db2.gz HTHUYEGNXSYXNT-GRYCIOLGSA-N 2 1 219.332 1.834 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCS[C@@H](C)C1 ZINC000220977315 636069883 /nfs/dbraw/zinc/06/98/83/636069883.db2.gz BMQVMNCGQFTILI-VWYCJHECSA-N 2 1 214.378 1.279 10 0 BDAEMP CC(C)OC[C@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227734777 640846599 /nfs/dbraw/zinc/84/65/99/640846599.db2.gz COQROLKSQMNNLO-CHWSQXEVSA-N 2 1 246.395 1.078 10 0 BDAEMP CCOC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121083 641135437 /nfs/dbraw/zinc/13/54/37/641135437.db2.gz UYZXCMGPORYDQC-NSHDSACASA-N 2 1 242.363 1.212 10 0 BDAEMP CCOC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121083 641135440 /nfs/dbraw/zinc/13/54/40/641135440.db2.gz UYZXCMGPORYDQC-NSHDSACASA-N 2 1 242.363 1.212 10 0 BDAEMP CN(C)[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000071137243 643100492 /nfs/dbraw/zinc/10/04/92/643100492.db2.gz SEMFHCWKZXFWLJ-GFCCVEGCSA-N 2 1 213.369 1.141 10 0 BDAEMP C[NH+](C)[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000071137243 643100500 /nfs/dbraw/zinc/10/05/00/643100500.db2.gz SEMFHCWKZXFWLJ-GFCCVEGCSA-N 2 1 213.369 1.141 10 0 BDAEMP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000094085817 644708280 /nfs/dbraw/zinc/70/82/80/644708280.db2.gz FKOXXKHMPFMPAJ-NEPJUHHUSA-N 2 1 236.363 1.249 10 0 BDAEMP C[C@@H]1CC[N@H+](C[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000251523962 644808045 /nfs/dbraw/zinc/80/80/45/644808045.db2.gz AHBDGKQWJPPZSY-GRYCIOLGSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000251523962 644808052 /nfs/dbraw/zinc/80/80/52/644808052.db2.gz AHBDGKQWJPPZSY-GRYCIOLGSA-N 2 1 212.337 1.225 10 0 BDAEMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000251539997 644809345 /nfs/dbraw/zinc/80/93/45/644809345.db2.gz YEZDWDXWFKPXBS-NWDGAFQWSA-N 2 1 212.337 1.226 10 0 BDAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@@H]21 ZINC000252854413 644918277 /nfs/dbraw/zinc/91/82/77/644918277.db2.gz JSCQWLZBEPHUGC-FVCCEPFGSA-N 2 1 224.348 1.225 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ncc[nH]1 ZINC000252979007 644929769 /nfs/dbraw/zinc/92/97/69/644929769.db2.gz FTUXYXPVEUPIQI-GUBZILKMSA-N 2 1 208.309 1.188 10 0 BDAEMP COC[C@@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000721966224 711695311 /nfs/dbraw/zinc/69/53/11/711695311.db2.gz TVEGCTRRNHMGDE-KGLIPLIRSA-N 2 1 242.407 1.979 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000708861256 712201281 /nfs/dbraw/zinc/20/12/81/712201281.db2.gz GKFJXWDIRRPLME-NEPJUHHUSA-N 2 1 214.353 1.066 10 0 BDAEMP Cc1cnc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000724031834 710736837 /nfs/dbraw/zinc/73/68/37/710736837.db2.gz ALUNUQYMEAUXAX-CYBMUJFWSA-N 2 1 233.359 1.930 10 0 BDAEMP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000723877186 711541923 /nfs/dbraw/zinc/54/19/23/711541923.db2.gz RMDOICGWCPNBNO-NWANDNLSSA-N 2 1 245.370 1.868 10 0 BDAEMP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000708341875 712189026 /nfs/dbraw/zinc/18/90/26/712189026.db2.gz WQFCQIBGJGPOQZ-WUHRBBMRSA-N 2 1 238.375 1.471 10 0 BDAEMP C[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1C[NH3+] ZINC000708862639 712201223 /nfs/dbraw/zinc/20/12/23/712201223.db2.gz PNXQNHKANZFPMT-MNOVXSKESA-N 2 1 224.373 1.817 10 0 BDAEMP Cc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c(C)nn1 ZINC000720583852 712854662 /nfs/dbraw/zinc/85/46/62/712854662.db2.gz RCLYPCADPDUHOQ-CQSZACIVSA-N 2 1 248.374 1.667 10 0 BDAEMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(C)nn1 ZINC000720583852 712854663 /nfs/dbraw/zinc/85/46/63/712854663.db2.gz RCLYPCADPDUHOQ-CQSZACIVSA-N 2 1 248.374 1.667 10 0 BDAEMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720606305 712857820 /nfs/dbraw/zinc/85/78/20/712857820.db2.gz MZWQFLQKQJIRDJ-RNCFNFMXSA-N 2 1 234.347 1.120 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685965820 538912560 /nfs/dbraw/zinc/91/25/60/538912560.db2.gz UTEJZFGBFHCLAU-RYUDHWBXSA-N 2 1 206.289 1.099 10 0 BDAEMP CCC(CC)(CO)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000051292347 168326934 /nfs/dbraw/zinc/32/69/34/168326934.db2.gz BSLGAWFVIDVDIE-UHFFFAOYSA-N 2 1 242.407 1.811 10 0 BDAEMP CCC(CC)(CO)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000051292347 168326935 /nfs/dbraw/zinc/32/69/35/168326935.db2.gz BSLGAWFVIDVDIE-UHFFFAOYSA-N 2 1 242.407 1.811 10 0 BDAEMP C[N@H+]1CC[C@H]([NH3+])[C@H](Cc2cccc(F)c2)C1 ZINC000036352050 343978997 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ZINC000409435585 343834228 /nfs/dbraw/zinc/83/42/28/343834228.db2.gz VLVWIBMQTBAGLV-RYUDHWBXSA-N 2 1 226.364 1.343 10 0 BDAEMP OC[C@@]12C[N@H+](C3CC[NH2+]CC3)C[C@H]1CCCC2 ZINC000409435594 343834501 /nfs/dbraw/zinc/83/45/01/343834501.db2.gz VOUUQZXGPPCBRE-TZMCWYRMSA-N 2 1 238.375 1.223 10 0 BDAEMP COC[C@@]12CCC[C@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC000409435036 343835634 /nfs/dbraw/zinc/83/56/34/343835634.db2.gz SBWLFHSGMLGBCY-JSGCOSHPSA-N 2 1 238.375 1.487 10 0 BDAEMP COC[C@]12CCC[C@@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC000409435038 343835781 /nfs/dbraw/zinc/83/57/81/343835781.db2.gz SBWLFHSGMLGBCY-TZMCWYRMSA-N 2 1 238.375 1.487 10 0 BDAEMP CC(C)[C@@](F)(C[NH3+])[C@H]1CCCCC[NH2+]1 ZINC000158389117 344640349 /nfs/dbraw/zinc/64/03/49/344640349.db2.gz IZYYHHIWWQWSKZ-MNOVXSKESA-N 2 1 202.317 1.842 10 0 BDAEMP C[C@@H]1C[N@H+](C2CCSCC2)C[C@@H]1[NH3+] ZINC000235333498 344887321 /nfs/dbraw/zinc/88/73/21/344887321.db2.gz LQBKOHAIGIWYFC-SCZZXKLOSA-N 2 1 200.351 1.161 10 0 BDAEMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000248124986 345047773 /nfs/dbraw/zinc/04/77/73/345047773.db2.gz OHDTZRJUOWDDLP-HUUCEWRRSA-N 2 1 248.370 1.431 10 0 BDAEMP C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000248140312 345053658 /nfs/dbraw/zinc/05/36/58/345053658.db2.gz TVCKUIRPRSAEMK-UONOGXRCSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000248140312 345053661 /nfs/dbraw/zinc/05/36/61/345053661.db2.gz TVCKUIRPRSAEMK-UONOGXRCSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000248135028 345051974 /nfs/dbraw/zinc/05/19/74/345051974.db2.gz RHNZVCBQHIJIPJ-HUUCEWRRSA-N 2 1 248.370 1.431 10 0 BDAEMP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000248135028 345051978 /nfs/dbraw/zinc/05/19/78/345051978.db2.gz RHNZVCBQHIJIPJ-HUUCEWRRSA-N 2 1 248.370 1.431 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000248152329 345059577 /nfs/dbraw/zinc/05/95/77/345059577.db2.gz XXYORQBLIVDNEL-UONOGXRCSA-N 2 1 234.343 1.089 10 0 BDAEMP COc1cc(C)nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634999012 345198956 /nfs/dbraw/zinc/19/89/56/345198956.db2.gz OOKBIERIPDMKPH-ZYHUDNBSSA-N 2 1 249.358 1.425 10 0 BDAEMP COc1cc(C)nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634999012 345198959 /nfs/dbraw/zinc/19/89/59/345198959.db2.gz OOKBIERIPDMKPH-ZYHUDNBSSA-N 2 1 249.358 1.425 10 0 BDAEMP C[C@H](C[NH3+])Nc1[nH+]c2ccc(F)cc2n1C ZINC000212503451 345737944 /nfs/dbraw/zinc/73/79/44/345737944.db2.gz MBIQULQGBBLXNR-SSDOTTSWSA-N 2 1 222.267 1.472 10 0 BDAEMP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061917077 346180129 /nfs/dbraw/zinc/18/01/29/346180129.db2.gz LUSHDEIRGGAERP-VWYCJHECSA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061917077 346180131 /nfs/dbraw/zinc/18/01/31/346180131.db2.gz LUSHDEIRGGAERP-VWYCJHECSA-N 2 1 200.326 1.223 10 0 BDAEMP CC(C)(C[NH3+])[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000669377591 537964720 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ZINC000669383008 538006594 /nfs/dbraw/zinc/00/65/94/538006594.db2.gz QXASCBWDLAHMMH-NEPJUHHUSA-N 2 1 212.337 1.095 10 0 BDAEMP C[C@H]1CCC[N@@H+]1[C@@]1(C[NH3+])CCCSC1 ZINC000216491114 348782022 /nfs/dbraw/zinc/78/20/22/348782022.db2.gz JEUHZEMNUUGWGO-WDEREUQCSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@H]1CCC[N@H+]1[C@@]1(C[NH3+])CCCSC1 ZINC000216491114 348782026 /nfs/dbraw/zinc/78/20/26/348782026.db2.gz JEUHZEMNUUGWGO-WDEREUQCSA-N 2 1 214.378 1.695 10 0 BDAEMP C[N@H+]1CCC[C@H]1c1cncc(CCC[NH3+])c1 ZINC000199024835 349070228 /nfs/dbraw/zinc/07/02/28/349070228.db2.gz XXOVWVKHRYRBHY-ZDUSSCGKSA-N 2 1 219.332 1.740 10 0 BDAEMP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CC1 ZINC000225935706 349330316 /nfs/dbraw/zinc/33/03/16/349330316.db2.gz YMTFUHMWLZUZGC-ZIAGYGMSSA-N 2 1 216.328 1.856 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnc(C)n1 ZINC000049330267 180189819 /nfs/dbraw/zinc/18/98/19/180189819.db2.gz KQJBTPGTYPUJJL-UHFFFAOYSA-N 2 1 231.303 1.080 10 0 BDAEMP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccc(N)cc2C1 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ZINC000251865007 350905715 /nfs/dbraw/zinc/90/57/15/350905715.db2.gz SUUHZDOTUQJRND-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1c(Cl)cncc1Cl ZINC000306722156 350889265 /nfs/dbraw/zinc/88/92/65/350889265.db2.gz INOXPNSIWJDYCC-ZETCQYMHSA-N 2 1 220.103 1.737 10 0 BDAEMP CC1(C)C[N@H+](CCC(F)F)CCC[NH2+]1 ZINC000306723393 350892143 /nfs/dbraw/zinc/89/21/43/350892143.db2.gz HBKOOKTYPRIYBO-UHFFFAOYSA-N 2 1 206.280 1.716 10 0 BDAEMP CC1(C)C[N@@H+](CCC(F)F)CCC[NH2+]1 ZINC000306723393 350892146 /nfs/dbraw/zinc/89/21/46/350892146.db2.gz HBKOOKTYPRIYBO-UHFFFAOYSA-N 2 1 206.280 1.716 10 0 BDAEMP C[C@H]1CSCC[N@@H+]1[C@H](CN)C1CC1 ZINC000251944418 362993032 /nfs/dbraw/zinc/99/30/32/362993032.db2.gz ZWMUOWDNLSFFBD-WCBMZHEXSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1CSCC[N@H+]1[C@H](CN)C1CC1 ZINC000251944418 362993038 /nfs/dbraw/zinc/99/30/38/362993038.db2.gz ZWMUOWDNLSFFBD-WCBMZHEXSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@H](NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000306830933 351145583 /nfs/dbraw/zinc/14/55/83/351145583.db2.gz LXXPHOVTEDRCFA-DGCLKSJQSA-N 2 1 246.358 1.523 10 0 BDAEMP C[C@H]1C[C@]2(C[NH+]=C(N)O2)C[N@H+]1Cc1ccccc1 ZINC000306826925 351136962 /nfs/dbraw/zinc/13/69/62/351136962.db2.gz AQSJBVPWSGXQTA-FZMZJTMJSA-N 2 1 245.326 1.365 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC000306979114 351397512 /nfs/dbraw/zinc/39/75/12/351397512.db2.gz ORMROXDLRJQRDM-PSUDNILRSA-N 2 1 200.713 1.408 10 0 BDAEMP C[C@H]1CN(C(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000307058070 351455379 /nfs/dbraw/zinc/45/53/79/351455379.db2.gz FLNHDEUOGTUOOU-NSHDSACASA-N 2 1 232.331 1.086 10 0 BDAEMP C[C@H]1CN(C(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000307058070 351455383 /nfs/dbraw/zinc/45/53/83/351455383.db2.gz FLNHDEUOGTUOOU-NSHDSACASA-N 2 1 232.331 1.086 10 0 BDAEMP [NH3+]C[C@H]1CC[C@H]1[N@@H+]1CCC=C(Cl)C1 ZINC000404387594 351416693 /nfs/dbraw/zinc/41/66/93/351416693.db2.gz GJYYOFOKNGWNDZ-PSASIEDQSA-N 2 1 200.713 1.552 10 0 BDAEMP [NH3+]C[C@H]1CC[C@H]1[N@H+]1CCC=C(Cl)C1 ZINC000404387594 351416694 /nfs/dbraw/zinc/41/66/94/351416694.db2.gz GJYYOFOKNGWNDZ-PSASIEDQSA-N 2 1 200.713 1.552 10 0 BDAEMP CSC1CC[NH+]([C@@H](C)[C@H](C)[NH3+])CC1 ZINC000307148466 351502367 /nfs/dbraw/zinc/50/23/67/351502367.db2.gz QDEQABDWHKRZPL-IUCAKERBSA-N 2 1 202.367 1.550 10 0 BDAEMP CC[C@H]1CC[N@H+](CCF)C[C@H](C)C[NH2+]1 ZINC000307190232 351591433 /nfs/dbraw/zinc/59/14/33/351591433.db2.gz WVPRISIHRZBUHF-MNOVXSKESA-N 2 1 202.317 1.666 10 0 BDAEMP CC[C@H]1CC[N@@H+](CCF)C[C@H](C)C[NH2+]1 ZINC000307190232 351591438 /nfs/dbraw/zinc/59/14/38/351591438.db2.gz WVPRISIHRZBUHF-MNOVXSKESA-N 2 1 202.317 1.666 10 0 BDAEMP C[C@@H]1C[C@@H]([N@H+](C)C(C)(C)C[NH3+])[C@@H](C)O1 ZINC000307253251 351780074 /nfs/dbraw/zinc/78/00/74/351780074.db2.gz UXJNDVBOPJZTNL-OPRDCNLKSA-N 2 1 200.326 1.221 10 0 BDAEMP C[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)C[NH3+])[C@@H](C)O1 ZINC000307253251 351780077 /nfs/dbraw/zinc/78/00/77/351780077.db2.gz UXJNDVBOPJZTNL-OPRDCNLKSA-N 2 1 200.326 1.221 10 0 BDAEMP CS[C@@H]1CC[N@@H+]([C@H]2CCCC[NH2+]C2)C1 ZINC000307254989 351790509 /nfs/dbraw/zinc/79/05/09/351790509.db2.gz YZBJLLJZRPNTRA-WDEREUQCSA-N 2 1 214.378 1.566 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@H]2CCCC[NH2+]C2)C1 ZINC000307254989 351790511 /nfs/dbraw/zinc/79/05/11/351790511.db2.gz YZBJLLJZRPNTRA-WDEREUQCSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CSC1 ZINC000307296365 351907032 /nfs/dbraw/zinc/90/70/32/351907032.db2.gz QSAJMHOYONZMBX-WCBMZHEXSA-N 2 1 200.351 1.032 10 0 BDAEMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CSC1 ZINC000307296365 351907036 /nfs/dbraw/zinc/90/70/36/351907036.db2.gz QSAJMHOYONZMBX-WCBMZHEXSA-N 2 1 200.351 1.032 10 0 BDAEMP [NH3+]C[C@H]1CCC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000420205625 192174444 /nfs/dbraw/zinc/17/44/44/192174444.db2.gz RVXLSEYVHXEWKE-SCZZXKLOSA-N 2 1 231.303 1.497 10 0 BDAEMP C[C@@H]1CSCC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 ZINC000307461994 352611028 /nfs/dbraw/zinc/61/10/28/352611028.db2.gz GAATWQHDLFUULT-HBNTYKKESA-N 2 1 214.378 1.409 10 0 BDAEMP C([NH2+][C@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000232452824 352676840 /nfs/dbraw/zinc/67/68/40/352676840.db2.gz XZRAXUYDBRVMTN-ZJUUUORDSA-N 2 1 200.351 1.224 10 0 BDAEMP C[C@H](C[NH3+])C[NH+]=c1[nH]c2ccccc2n1C ZINC000420222999 192178838 /nfs/dbraw/zinc/17/88/38/192178838.db2.gz ZABUBOVPBUPWQO-SECBINFHSA-N 2 1 218.304 1.002 10 0 BDAEMP CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)C[NH3+] ZINC000019280095 188106727 /nfs/dbraw/zinc/10/67/27/188106727.db2.gz XNCKYPANXYTZCU-ZDUSSCGKSA-N 2 1 222.332 1.217 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@@H+](C)C1CCOCC1 ZINC000036321666 188112520 /nfs/dbraw/zinc/11/25/20/188112520.db2.gz FLGQFCHQMJNFFJ-LLVKDONJSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[N@@H+](CCCO)Cc1cccc(C(N)=[NH2+])c1 ZINC000042508080 188120681 /nfs/dbraw/zinc/12/06/81/188120681.db2.gz YMUSPHAVNPBDTG-UHFFFAOYSA-N 2 1 249.358 1.563 10 0 BDAEMP C(CN[C@@H]1CC[N@H+]2CCC[C@H]12)C[NH+]1CCCC1 ZINC000049567473 188124440 /nfs/dbraw/zinc/12/44/40/188124440.db2.gz IELNGWZXYUBJJH-ZIAGYGMSSA-N 2 1 237.391 1.299 10 0 BDAEMP CCc1cnc(C[NH2+]CC[C@H](C)[NH3+])s1 ZINC000234147685 363415608 /nfs/dbraw/zinc/41/56/08/363415608.db2.gz LAPIHGVXYHVRQW-QMMMGPOBSA-N 2 1 213.350 1.532 10 0 BDAEMP CC[N@H+]1CC[C@H](Nc2ncnc3[nH]ccc32)C1 ZINC000413572801 191394573 /nfs/dbraw/zinc/39/45/73/191394573.db2.gz RLZYULJWPLQOAV-VIFPVBQESA-N 2 1 231.303 1.464 10 0 BDAEMP CC[N@H+]1CC[C@@H](Nc2ncnc3[nH]ccc32)C1 ZINC000413572800 191395422 /nfs/dbraw/zinc/39/54/22/191395422.db2.gz RLZYULJWPLQOAV-SECBINFHSA-N 2 1 231.303 1.464 10 0 BDAEMP NC(=[NH2+])CCC[N@H+]1CCc2sccc2C1 ZINC000019440070 181186858 /nfs/dbraw/zinc/18/68/58/181186858.db2.gz TXXKZGUILAZTAR-UHFFFAOYSA-N 2 1 223.345 1.822 10 0 BDAEMP NC(=[NH2+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072266128 181192207 /nfs/dbraw/zinc/19/22/07/181192207.db2.gz VAIVSKGFZNXHER-NSHDSACASA-N 2 1 203.289 1.444 10 0 BDAEMP C[C@H]([NH3+])CC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223375493 355804402 /nfs/dbraw/zinc/80/44/02/355804402.db2.gz IKWXJSOTYQNMST-VHSXEESVSA-N 2 1 200.326 1.223 10 0 BDAEMP CC(C)OCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000420354529 192219832 /nfs/dbraw/zinc/21/98/32/192219832.db2.gz BOXXJTNZILQNOO-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)OCCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000420354527 192220464 /nfs/dbraw/zinc/22/04/64/192220464.db2.gz BOXXJTNZILQNOO-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP Cn1cccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000140072912 356453493 /nfs/dbraw/zinc/45/34/93/356453493.db2.gz DTBFCEWYALMPKK-LLVKDONJSA-N 2 1 207.321 1.196 10 0 BDAEMP [NH3+][C@@H]1C=C(CC[C@H]2CCCCO2)C[NH2+]C1 ZINC000675079127 538518163 /nfs/dbraw/zinc/51/81/63/538518163.db2.gz WQKRILCXZDSKIG-VXGBXAGGSA-N 2 1 210.321 1.193 10 0 BDAEMP C(C[NH+]1C[C@H]2CCC[C@@H]2C1)[NH2+]CC1CC1 ZINC000126303953 538532739 /nfs/dbraw/zinc/53/27/39/538532739.db2.gz CLCUXYNUUPVWLA-CHWSQXEVSA-N 2 1 208.349 1.718 10 0 BDAEMP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000231323814 357612366 /nfs/dbraw/zinc/61/23/66/357612366.db2.gz IPBXABXIZGPSES-QWHCGFSZSA-N 2 1 236.363 1.264 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000685945875 538886999 /nfs/dbraw/zinc/88/69/99/538886999.db2.gz DIMLXDSJCSIJRV-OLZOCXBDSA-N 2 1 204.317 1.789 10 0 BDAEMP CCOc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH3+])cc1 ZINC000685948588 538891141 /nfs/dbraw/zinc/89/11/41/538891141.db2.gz QRAFEXXOVXNDQE-QWHCGFSZSA-N 2 1 220.316 1.490 10 0 BDAEMP CO[C@@H]1CCC[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951389 538894549 /nfs/dbraw/zinc/89/45/49/538894549.db2.gz RUUZHICKVWVEAJ-XQHKEYJVSA-N 2 1 226.364 1.341 10 0 BDAEMP [NH3+][C@H]1C[C@H]([NH2+]CCCO)c2ccccc21 ZINC000169234873 134250229 /nfs/dbraw/zinc/25/02/29/134250229.db2.gz YIZGIYGJSUUBQV-RYUDHWBXSA-N 2 1 206.289 1.103 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2CCS[C@@H]2C)C1 ZINC000300352637 358971302 /nfs/dbraw/zinc/97/13/02/358971302.db2.gz NUVNSEYXCDPTPV-MXWKQRLJSA-N 2 1 214.378 1.564 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@H+]([C@H]2CCS[C@@H]2C)C1 ZINC000300352637 358971307 /nfs/dbraw/zinc/97/13/07/358971307.db2.gz NUVNSEYXCDPTPV-MXWKQRLJSA-N 2 1 214.378 1.564 10 0 BDAEMP CS[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H]([NH3+])C1 ZINC000300388085 358981761 /nfs/dbraw/zinc/98/17/61/358981761.db2.gz NRLRLLWGAAQXOK-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CCC[C@H]1[N@H+]1CC[C@H]([NH3+])C1 ZINC000300388085 358981766 /nfs/dbraw/zinc/98/17/66/358981766.db2.gz NRLRLLWGAAQXOK-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000300390850 358987498 /nfs/dbraw/zinc/98/74/98/358987498.db2.gz RYSZVOXOMQIFJW-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000300390850 358987502 /nfs/dbraw/zinc/98/75/02/358987502.db2.gz RYSZVOXOMQIFJW-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP [NH3+][C@@H]1C=C[C@@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000306241463 359421266 /nfs/dbraw/zinc/42/12/66/359421266.db2.gz RGXTZNIZALDUNX-RKDXNWHRSA-N 2 1 202.248 1.231 10 0 BDAEMP [NH3+][C@@H]1C=C[C@@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000306241463 359421268 /nfs/dbraw/zinc/42/12/68/359421268.db2.gz RGXTZNIZALDUNX-RKDXNWHRSA-N 2 1 202.248 1.231 10 0 BDAEMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309130485 491145342 /nfs/dbraw/zinc/14/53/42/491145342.db2.gz QXXAVDKTICOXLB-OUAUKWLOSA-N 2 1 205.305 1.444 10 0 BDAEMP CC(C)[NH2+]CCCNc1[nH+]c2ccccc2n1C ZINC000578610615 366607228 /nfs/dbraw/zinc/60/72/28/366607228.db2.gz IMLJPDVHTXHRDL-UHFFFAOYSA-N 2 1 246.358 1.795 10 0 BDAEMP C[C@@H]1[C@@H](NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000306440769 360005562 /nfs/dbraw/zinc/00/55/62/360005562.db2.gz KUIUBFJHGZESNY-PWSUYJOCSA-N 2 1 232.331 1.132 10 0 BDAEMP CC1(C)C[N@H+]([C@@H]2CCSC2)CCC[NH2+]1 ZINC000231421879 360335893 /nfs/dbraw/zinc/33/58/93/360335893.db2.gz PGGIIWDTEDIGEP-SNVBAGLBSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CCSC[C@H]1C ZINC000306532669 360392379 /nfs/dbraw/zinc/39/23/79/360392379.db2.gz BZMUPNAIEDWXFZ-MXWKQRLJSA-N 2 1 214.378 1.422 10 0 BDAEMP C[C@@H]1CC[N@@H+](CCC2C[NH2+]C2)CCS1 ZINC000306600666 360527714 /nfs/dbraw/zinc/52/77/14/360527714.db2.gz UBAVOXWMBPUBCL-SNVBAGLBSA-N 2 1 214.378 1.423 10 0 BDAEMP [NH3+]C1(C[N@H+]2CCCSCC2)CCCC1 ZINC000042444964 181330730 /nfs/dbraw/zinc/33/07/30/181330730.db2.gz ZADPRLVPBITJIM-UHFFFAOYSA-N 2 1 214.378 1.697 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](O)[C@H]1C ZINC000448549074 201216391 /nfs/dbraw/zinc/21/63/91/201216391.db2.gz NRIPULNJIKQZBW-YPMHNXCESA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000448549074 201216395 /nfs/dbraw/zinc/21/63/95/201216395.db2.gz NRIPULNJIKQZBW-YPMHNXCESA-N 2 1 237.347 1.427 10 0 BDAEMP CC[C@H]([NH2+]C1CC[NH+](CCO)CC1)C(C)C ZINC000309994893 491159586 /nfs/dbraw/zinc/15/95/86/491159586.db2.gz BXDCWTJICMUHHU-ZDUSSCGKSA-N 2 1 228.380 1.467 10 0 BDAEMP CCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630354782 364077625 /nfs/dbraw/zinc/07/76/25/364077625.db2.gz AYCMXHCWESRCDL-QWRGUYRKSA-N 2 1 200.326 1.225 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630365888 364082991 /nfs/dbraw/zinc/08/29/91/364082991.db2.gz WQTXSQJQBQMOJH-RYUDHWBXSA-N 2 1 212.337 1.225 10 0 BDAEMP CCC(CC)C[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630369130 364086539 /nfs/dbraw/zinc/08/65/39/364086539.db2.gz VJNYUKXOETZUMO-QWHCGFSZSA-N 2 1 228.380 1.861 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000049816162 181358825 /nfs/dbraw/zinc/35/88/25/181358825.db2.gz CNDLNEKEDWKMJG-UHFFFAOYSA-N 2 1 216.328 1.784 10 0 BDAEMP CCn1ccnc1Cn1c[nH+]c(C)c1C ZINC000134591142 364406679 /nfs/dbraw/zinc/40/66/79/364406679.db2.gz AAKPWVDFVCUSEN-UHFFFAOYSA-N 2 1 204.277 1.765 10 0 BDAEMP [NH3+]CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000074339314 181383821 /nfs/dbraw/zinc/38/38/21/181383821.db2.gz BWFFFUNZRPRHPK-UHFFFAOYSA-N 2 1 218.222 1.542 10 0 BDAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380979595 367329741 /nfs/dbraw/zinc/32/97/41/367329741.db2.gz CDSGQAAWDAPNFP-WXHSDQCUSA-N 2 1 226.364 1.220 10 0 BDAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380979595 367329745 /nfs/dbraw/zinc/32/97/45/367329745.db2.gz CDSGQAAWDAPNFP-WXHSDQCUSA-N 2 1 226.364 1.220 10 0 BDAEMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000380758789 367299472 /nfs/dbraw/zinc/29/94/72/367299472.db2.gz VRFWMHBJEQRHDB-STQMWFEESA-N 2 1 227.396 1.447 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386017501 367898631 /nfs/dbraw/zinc/89/86/31/367898631.db2.gz NXMMKXIXEMSACB-MELADBBJSA-N 2 1 239.407 1.591 10 0 BDAEMP CCC[N@@H+](CC)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581937823 367964492 /nfs/dbraw/zinc/96/44/92/367964492.db2.gz UWYWTUDBHYAZPF-ZIAGYGMSSA-N 2 1 241.423 1.696 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H]2C[NH3+])CCS1 ZINC000252982956 368177997 /nfs/dbraw/zinc/17/79/97/368177997.db2.gz YPJSJJBXXBTJEN-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP [NH3+]C[C@@]1([NH+]2CCC2)CCCSCC1 ZINC000215036764 368140648 /nfs/dbraw/zinc/14/06/48/368140648.db2.gz UXIISVRDXKZJJO-SNVBAGLBSA-N 2 1 200.351 1.307 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccn1 ZINC000621775229 370523110 /nfs/dbraw/zinc/52/31/10/370523110.db2.gz IZJQEYCUWBYNPA-MELADBBJSA-N 2 1 231.343 1.559 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCCSCC2)C1 ZINC000227808739 371941203 /nfs/dbraw/zinc/94/12/03/371941203.db2.gz DSUPSUVYSWWFEF-GHMZBOCLSA-N 2 1 214.378 1.553 10 0 BDAEMP CC1(C)C[N@@H+](CC2C[NH2+]C2)CCS1 ZINC000133353989 372029453 /nfs/dbraw/zinc/02/94/53/372029453.db2.gz DCMQLVBASJMSSH-UHFFFAOYSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(N)=[NH2+] ZINC000306876903 372074360 /nfs/dbraw/zinc/07/43/60/372074360.db2.gz CBMGVEHJPYJJIR-DGCLKSJQSA-N 2 1 246.358 1.380 10 0 BDAEMP CC[NH+](CC)CCNC[C@H]1CCC[N@H+]1C ZINC000229305115 372139564 /nfs/dbraw/zinc/13/95/64/372139564.db2.gz QCRDWPTZXGYFRD-GFCCVEGCSA-N 2 1 213.369 1.012 10 0 BDAEMP Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837792 372629693 /nfs/dbraw/zinc/62/96/93/372629693.db2.gz FMFIYEACABBTIO-WCQYABFASA-N 2 1 236.363 1.108 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837792 372629700 /nfs/dbraw/zinc/62/97/00/372629700.db2.gz FMFIYEACABBTIO-WCQYABFASA-N 3 1 236.363 1.108 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837792 372629708 /nfs/dbraw/zinc/62/97/08/372629708.db2.gz FMFIYEACABBTIO-WCQYABFASA-N 3 1 236.363 1.108 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000631838633 372634347 /nfs/dbraw/zinc/63/43/47/372634347.db2.gz RXFUTSRGOYQZLY-GRYCIOLGSA-N 2 1 212.337 1.082 10 0 BDAEMP Cc1cccc(OCC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843188 372640786 /nfs/dbraw/zinc/64/07/86/372640786.db2.gz KDNSMHMLXCPQRW-KGLIPLIRSA-N 2 1 248.370 1.900 10 0 BDAEMP Cc1cccc(OCC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843187 372640923 /nfs/dbraw/zinc/64/09/23/372640923.db2.gz KDNSMHMLXCPQRW-KBPBESRZSA-N 2 1 248.370 1.900 10 0 BDAEMP C[C@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631842286 372641109 /nfs/dbraw/zinc/64/11/09/372641109.db2.gz YAFHNXXDHQJALK-IUCAKERBSA-N 2 1 240.269 1.092 10 0 BDAEMP C[C@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631842286 372641116 /nfs/dbraw/zinc/64/11/16/372641116.db2.gz YAFHNXXDHQJALK-IUCAKERBSA-N 2 1 240.269 1.092 10 0 BDAEMP CCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862541 169075640 /nfs/dbraw/zinc/07/56/40/169075640.db2.gz OIVCNTZAIVQPRN-GFCCVEGCSA-N 2 1 228.380 1.421 10 0 BDAEMP CCC[N@@H+](C[C@H](C)C(=O)OC)C1CC[NH2+]CC1 ZINC000037539197 169172426 /nfs/dbraw/zinc/17/24/26/169172426.db2.gz IULQVOBKDVZANM-NSHDSACASA-N 2 1 242.363 1.260 10 0 BDAEMP c1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]23)ccn1 ZINC000049567826 183337884 /nfs/dbraw/zinc/33/78/84/183337884.db2.gz YXSFGQQPAFVCQS-ZIAGYGMSSA-N 2 1 231.343 1.450 10 0 BDAEMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]23)ccn1 ZINC000049567826 183337885 /nfs/dbraw/zinc/33/78/85/183337885.db2.gz YXSFGQQPAFVCQS-ZIAGYGMSSA-N 2 1 231.343 1.450 10 0 BDAEMP CCC[N@H+]1CCc2nc(CCC[NH3+])sc2C1 ZINC000054139556 169209187 /nfs/dbraw/zinc/20/91/87/169209187.db2.gz FZLOBQUWPVGRMN-UHFFFAOYSA-N 2 1 239.388 1.803 10 0 BDAEMP CCC[NH2+]C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063123985 169261712 /nfs/dbraw/zinc/26/17/12/169261712.db2.gz CHDJLZWHRSTBTA-CYBMUJFWSA-N 3 1 241.423 1.648 10 0 BDAEMP CCC[NH2+]C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063123985 169261714 /nfs/dbraw/zinc/26/17/14/169261714.db2.gz CHDJLZWHRSTBTA-CYBMUJFWSA-N 3 1 241.423 1.648 10 0 BDAEMP CCC[NH2+][C@H](CC[N@@H+]1CCCC1(C)C)C(N)=O ZINC000063072869 169289059 /nfs/dbraw/zinc/28/90/59/169289059.db2.gz HJIIYHUYRCSMBC-LLVKDONJSA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+][C@H](CC[N@H+]1CCCC1(C)C)C(N)=O ZINC000063072869 169289060 /nfs/dbraw/zinc/28/90/60/169289060.db2.gz HJIIYHUYRCSMBC-LLVKDONJSA-N 2 1 241.379 1.104 10 0 BDAEMP c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)nc1 ZINC000049565121 183394719 /nfs/dbraw/zinc/39/47/19/183394719.db2.gz YZVIQXRIFAVLBG-LSDHHAIUSA-N 2 1 245.370 1.841 10 0 BDAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1CCCOCC1 ZINC000061934633 169281790 /nfs/dbraw/zinc/28/17/90/169281790.db2.gz XZLMBVVIEXCTFJ-ZIAGYGMSSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[C@@H](C)[N@@H+](C)CCC(=O)N(C)CCC[NH3+] ZINC000036790066 169364007 /nfs/dbraw/zinc/36/40/07/169364007.db2.gz OHGFNVIIXAOAJJ-GFCCVEGCSA-N 2 1 243.395 1.304 10 0 BDAEMP C[C@@H]1C[N@H+](CCC[NH+]2CCCC2)CCCO1 ZINC000179243131 134318774 /nfs/dbraw/zinc/31/87/74/134318774.db2.gz YJDQVFGFWYPXKE-CYBMUJFWSA-N 2 1 226.364 1.583 10 0 BDAEMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCC2)CCCO1 ZINC000179243131 134318775 /nfs/dbraw/zinc/31/87/75/134318775.db2.gz YJDQVFGFWYPXKE-CYBMUJFWSA-N 2 1 226.364 1.583 10 0 BDAEMP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000223219147 134338063 /nfs/dbraw/zinc/33/80/63/134338063.db2.gz SWGFGVCEMURISS-IJLUTSLNSA-N 2 1 214.353 1.077 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000309274526 383831716 /nfs/dbraw/zinc/83/17/16/383831716.db2.gz SMUMPNXKIDJHST-HIFPTAJRSA-N 3 1 227.396 1.575 10 0 BDAEMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000309274526 383831721 /nfs/dbraw/zinc/83/17/21/383831721.db2.gz SMUMPNXKIDJHST-HIFPTAJRSA-N 3 1 227.396 1.575 10 0 BDAEMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000095072284 384343183 /nfs/dbraw/zinc/34/31/83/384343183.db2.gz UHLNJSKGNKUQNR-RYUDHWBXSA-N 2 1 205.305 1.441 10 0 BDAEMP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095075865 384350784 /nfs/dbraw/zinc/35/07/84/384350784.db2.gz AFILRTQJTZQUQW-KGLIPLIRSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095075865 384350787 /nfs/dbraw/zinc/35/07/87/384350787.db2.gz AFILRTQJTZQUQW-KGLIPLIRSA-N 2 1 234.343 1.089 10 0 BDAEMP c1ccc(CCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086725114 384678395 /nfs/dbraw/zinc/67/83/95/384678395.db2.gz JGHXGMMRCLVAKN-CYBMUJFWSA-N 2 1 204.317 1.571 10 0 BDAEMP C[N@@H+](Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000051889948 384699760 /nfs/dbraw/zinc/69/97/60/384699760.db2.gz IJYXRPHIMACLAO-NSHDSACASA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+](Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000051889948 384699765 /nfs/dbraw/zinc/69/97/65/384699765.db2.gz IJYXRPHIMACLAO-NSHDSACASA-N 2 1 205.305 1.123 10 0 BDAEMP [NH3+][C@H](CC[NH+]1CCCCC1)c1ccncc1 ZINC000084012017 384829154 /nfs/dbraw/zinc/82/91/54/384829154.db2.gz XQYMRAZQIUWEOO-CYBMUJFWSA-N 2 1 219.332 1.957 10 0 BDAEMP COC[C@@H](C)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368438276 384953653 /nfs/dbraw/zinc/95/36/53/384953653.db2.gz KJGDQWBJNPARKD-GHMZBOCLSA-N 2 1 223.320 1.070 10 0 BDAEMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000307243034 385247613 /nfs/dbraw/zinc/24/76/13/385247613.db2.gz JBNYOYGGGFPKPS-UONOGXRCSA-N 2 1 234.343 1.482 10 0 BDAEMP Cc1c[nH+]c(C[C@@H]2CC[NH2+]C2)n1CC1CC1 ZINC000169676757 385417684 /nfs/dbraw/zinc/41/76/84/385417684.db2.gz HKSRFCXXYNMXJV-LBPRGKRZSA-N 2 1 219.332 1.754 10 0 BDAEMP C[C@H]1C[C@]2(CC[N@H+]1C)[NH2+]C(C)(C)CS2 ZINC000156990722 385479591 /nfs/dbraw/zinc/47/95/91/385479591.db2.gz MVMGRQSXKKYAPO-GXSJLCMTSA-N 2 1 214.378 1.912 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1cc(Br)cs1 ZINC000259516730 385532092 /nfs/dbraw/zinc/53/20/92/385532092.db2.gz VOCLOWJHLBMMJJ-LURJTMIESA-N 2 1 235.150 1.859 10 0 BDAEMP C[C@@H]1C[NH2+]CC[N@H+]([C@H]2CCSC2)C1 ZINC000258093477 385537686 /nfs/dbraw/zinc/53/76/86/385537686.db2.gz KJGDTWZLCFUXGF-ZJUUUORDSA-N 2 1 200.351 1.033 10 0 BDAEMP C1CC[C@H]([N@@H+]2CCCSCC2)C[NH2+]C1 ZINC000054135513 385628693 /nfs/dbraw/zinc/62/86/93/385628693.db2.gz KITHDMLUDSSHGJ-NSHDSACASA-N 2 1 214.378 1.567 10 0 BDAEMP C1CC[C@H]([N@H+]2CCCSCC2)C[NH2+]C1 ZINC000054135513 385628699 /nfs/dbraw/zinc/62/86/99/385628699.db2.gz KITHDMLUDSSHGJ-NSHDSACASA-N 2 1 214.378 1.567 10 0 BDAEMP C[C@H]([NH3+])c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000058019918 385653742 /nfs/dbraw/zinc/65/37/42/385653742.db2.gz KHZKQZBHJZWHPJ-LBPRGKRZSA-N 2 1 233.359 1.454 10 0 BDAEMP FC1(F)CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000335035749 385925758 /nfs/dbraw/zinc/92/57/58/385925758.db2.gz YPWLDECCPYKRAI-BDAKNGLRSA-N 2 1 204.264 1.516 10 0 BDAEMP CC1(C)CSC[C@@](C[NH3+])([NH+]2CCC2)C1 ZINC000307132591 385938124 /nfs/dbraw/zinc/93/81/24/385938124.db2.gz HBXCMARRSXOZHR-LLVKDONJSA-N 2 1 214.378 1.553 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]12 ZINC000309405459 386007486 /nfs/dbraw/zinc/00/74/86/386007486.db2.gz VWBOUHQPOBLXMQ-YVECIDJPSA-N 2 1 224.348 1.225 10 0 BDAEMP C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1(C)[NH3+] ZINC000575562188 386028225 /nfs/dbraw/zinc/02/82/25/386028225.db2.gz YYYPAMRIHZJRRD-DGCLKSJQSA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(C)[NH3+] ZINC000575562188 386028231 /nfs/dbraw/zinc/02/82/31/386028231.db2.gz YYYPAMRIHZJRRD-DGCLKSJQSA-N 2 1 204.317 1.998 10 0 BDAEMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000336729545 386122322 /nfs/dbraw/zinc/12/23/22/386122322.db2.gz HSTJEERMKIKPGD-WCQYABFASA-N 2 1 228.380 1.467 10 0 BDAEMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000336729545 386122327 /nfs/dbraw/zinc/12/23/27/386122327.db2.gz HSTJEERMKIKPGD-WCQYABFASA-N 2 1 228.380 1.467 10 0 BDAEMP Cc1cncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000310307148 386176312 /nfs/dbraw/zinc/17/63/12/386176312.db2.gz CXULSKYCEYRRKR-BFHYXJOUSA-N 2 1 231.343 1.559 10 0 BDAEMP C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000335261184 386321379 /nfs/dbraw/zinc/32/13/79/386321379.db2.gz TUCZUWYQMVZGTP-ZWNOBZJWSA-N 2 1 232.327 1.708 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C[C@H]2C)CS1 ZINC000575593058 386358641 /nfs/dbraw/zinc/35/86/41/386358641.db2.gz VMGHHFNQADQFJQ-KYXWUPHJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C[C@H]2C)CS1 ZINC000575593058 386358644 /nfs/dbraw/zinc/35/86/44/386358644.db2.gz VMGHHFNQADQFJQ-KYXWUPHJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCC[C@@H]3O)C2)C1 ZINC000310464749 386407196 /nfs/dbraw/zinc/40/71/96/386407196.db2.gz ZAIUNIFATQGSIC-RDBSUJKOSA-N 2 1 238.375 1.318 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCSC2)[C@@H]1C ZINC000575582761 387060964 /nfs/dbraw/zinc/06/09/64/387060964.db2.gz HPQJJGYVZZTTQK-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCSC2)[C@@H]1C ZINC000575582761 387060966 /nfs/dbraw/zinc/06/09/66/387060966.db2.gz HPQJJGYVZZTTQK-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2CSC2)CCC[NH2+]1 ZINC000575491077 387276579 /nfs/dbraw/zinc/27/65/79/387276579.db2.gz ZGULSJSPTVNGAP-SECBINFHSA-N 2 1 200.351 1.033 10 0 BDAEMP CSCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000193867115 387867256 /nfs/dbraw/zinc/86/72/56/387867256.db2.gz ZPDMBHNMSKRJKI-UHFFFAOYSA-N 2 1 228.405 1.910 10 0 BDAEMP CC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151310396 387815234 /nfs/dbraw/zinc/81/52/34/387815234.db2.gz FJTSZYNZXUKCES-NEPJUHHUSA-N 2 1 214.353 1.221 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000422966979 387815710 /nfs/dbraw/zinc/81/57/10/387815710.db2.gz AZNCUKGAOTWENV-IYXRBSQSSA-N 3 1 239.407 1.578 10 0 BDAEMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[NH3+] ZINC000261528455 135153558 /nfs/dbraw/zinc/15/35/58/135153558.db2.gz LVCYRABJXINZRV-SECBINFHSA-N 2 1 212.724 1.819 10 0 BDAEMP CC[C@H](O)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328654129 388739161 /nfs/dbraw/zinc/73/91/61/388739161.db2.gz XFYROQFEOWUEDF-RYUDHWBXSA-N 2 1 237.347 1.148 10 0 BDAEMP CC[C@H](O)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328654129 388739162 /nfs/dbraw/zinc/73/91/62/388739162.db2.gz XFYROQFEOWUEDF-RYUDHWBXSA-N 2 1 237.347 1.148 10 0 BDAEMP COCC[N@H+]1CCN(c2cc[nH+]c(C)c2)C[C@H]1C ZINC000274372694 132202892 /nfs/dbraw/zinc/20/28/92/132202892.db2.gz QNIUGUQMGGVPHV-CYBMUJFWSA-N 2 1 249.358 1.547 10 0 BDAEMP CC(C)[NH2+]CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167522722 134002830 /nfs/dbraw/zinc/00/28/30/134002830.db2.gz MRARUHCXXPXOHV-KGLIPLIRSA-N 2 1 239.407 1.401 10 0 BDAEMP CC(C)COCCC[NH2+][C@H]1CC[NH2+]C1 ZINC000086725515 135094937 /nfs/dbraw/zinc/09/49/37/135094937.db2.gz WFDMONOUHMHYEU-NSHDSACASA-N 2 1 200.326 1.001 10 0 BDAEMP CC1(C)C[N@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000258668062 135132918 /nfs/dbraw/zinc/13/29/18/135132918.db2.gz FGKGNSBRDWYQIS-GFCCVEGCSA-N 2 1 219.332 1.641 10 0 BDAEMP CC1(C)C[N@@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000258668062 135132920 /nfs/dbraw/zinc/13/29/20/135132920.db2.gz FGKGNSBRDWYQIS-GFCCVEGCSA-N 2 1 219.332 1.641 10 0 BDAEMP Cc1cc[nH+]c(N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257742099 135140676 /nfs/dbraw/zinc/14/06/76/135140676.db2.gz SRCYBZGZAMNIOX-UHFFFAOYSA-N 2 1 231.343 1.970 10 0 BDAEMP C[NH2+]CC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000261527287 135151192 /nfs/dbraw/zinc/15/11/92/135151192.db2.gz MBQPCOKHSSAXPS-JTQLQIEISA-N 2 1 220.307 1.963 10 0 BDAEMP C[NH2+]CC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000261527287 135151194 /nfs/dbraw/zinc/15/11/94/135151194.db2.gz MBQPCOKHSSAXPS-JTQLQIEISA-N 2 1 220.307 1.963 10 0 BDAEMP Cc1ncccc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261541820 135181901 /nfs/dbraw/zinc/18/19/01/135181901.db2.gz BNCGAKHUUGVDPI-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1ncccc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261541820 135181903 /nfs/dbraw/zinc/18/19/03/135181903.db2.gz BNCGAKHUUGVDPI-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP Cn1cc(CC[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261545175 135187049 /nfs/dbraw/zinc/18/70/49/135187049.db2.gz FTEDMVFRDKGKCZ-LBPRGKRZSA-N 2 1 236.363 1.022 10 0 BDAEMP CCc1cc(N2CC[C@@H]([NH3+])C(C)(C)C2)nc(C)[nH+]1 ZINC000261571223 135213345 /nfs/dbraw/zinc/21/33/45/135213345.db2.gz KYIWTCJXTZNMMO-GFCCVEGCSA-N 2 1 248.374 1.911 10 0 BDAEMP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000261581408 135222455 /nfs/dbraw/zinc/22/24/55/135222455.db2.gz NOKDPXUKKHIHEZ-RYUDHWBXSA-N 2 1 226.364 1.472 10 0 BDAEMP CC1(C)C[N@@H+](C[C@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000261581409 135222922 /nfs/dbraw/zinc/22/29/22/135222922.db2.gz NOKDPXUKKHIHEZ-VXGBXAGGSA-N 2 1 226.364 1.472 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1Cl ZINC000262188895 135284496 /nfs/dbraw/zinc/28/44/96/135284496.db2.gz YBVVTEVNSVYZKM-ZYHUDNBSSA-N 2 1 240.734 1.010 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC000262191655 135284564 /nfs/dbraw/zinc/28/45/64/135284564.db2.gz YRNRDMVSOLSFLD-DGCLKSJQSA-N 2 1 246.310 1.103 10 0 BDAEMP CC1(C[N@H+]2CCCSCC2)C[NH2+]C1 ZINC000306917728 397951213 /nfs/dbraw/zinc/95/12/13/397951213.db2.gz YFNUZMRFACESFN-UHFFFAOYSA-N 2 1 200.351 1.035 10 0 BDAEMP CCc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)nc(C)[nH+]1 ZINC000389706695 398125404 /nfs/dbraw/zinc/12/54/04/398125404.db2.gz OKJCXHNHPXBVHF-BXKDBHETSA-N 2 1 234.347 1.757 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CC[NH+](C)CC1 ZINC000396444684 410882579 /nfs/dbraw/zinc/88/25/79/410882579.db2.gz CMDXBIRJHVGXHJ-SGMGOOAPSA-N 3 1 239.407 1.447 10 0 BDAEMP CC(C)C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000309086957 167008642 /nfs/dbraw/zinc/00/86/42/167008642.db2.gz YWVIIMRSXXHMCX-NSHDSACASA-N 2 1 207.321 1.691 10 0 BDAEMP CC(C)[N@@H+]1CCc2nc([C@@H](C)[NH3+])sc2C1 ZINC000041059196 167028965 /nfs/dbraw/zinc/02/89/65/167028965.db2.gz DUACEZFMXGEBNE-MRVPVSSYSA-N 2 1 225.361 1.929 10 0 BDAEMP CC(C)[N@H+]1CCc2nc([C@@H](C)[NH3+])sc2C1 ZINC000041059196 167028967 /nfs/dbraw/zinc/02/89/67/167028967.db2.gz DUACEZFMXGEBNE-MRVPVSSYSA-N 2 1 225.361 1.929 10 0 BDAEMP CC(C)[NH2+]CCN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000127729080 167106539 /nfs/dbraw/zinc/10/65/39/167106539.db2.gz YXBQBUFCQYTAGQ-TXEJJXNPSA-N 2 1 213.369 1.009 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000053033577 167114936 /nfs/dbraw/zinc/11/49/36/167114936.db2.gz GFTUSEUPQNTIJT-KGLIPLIRSA-N 2 1 240.391 1.875 10 0 BDAEMP CC1CCC(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000313391759 168152823 /nfs/dbraw/zinc/15/28/23/168152823.db2.gz VJTBMKDKROGKSH-RUXDESIVSA-N 2 1 240.391 1.862 10 0 BDAEMP CC1CC[NH+](Cc2ccoc2C[NH3+])CC1 ZINC000052376991 168183840 /nfs/dbraw/zinc/18/38/40/168183840.db2.gz PBGYELNEQUXZLW-UHFFFAOYSA-N 2 1 208.305 1.970 10 0 BDAEMP CC[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH2+]C1 ZINC000042516888 169925593 /nfs/dbraw/zinc/92/55/93/169925593.db2.gz YERQWBVSUGKXJL-CQSZACIVSA-N 2 1 233.359 1.903 10 0 BDAEMP CC[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH2+]C1 ZINC000042516888 169925595 /nfs/dbraw/zinc/92/55/95/169925595.db2.gz YERQWBVSUGKXJL-CQSZACIVSA-N 2 1 233.359 1.903 10 0 BDAEMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000336906989 170022257 /nfs/dbraw/zinc/02/22/57/170022257.db2.gz YKYGDMAGLMJXMK-IHRRRGAJSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000336906989 170022258 /nfs/dbraw/zinc/02/22/58/170022258.db2.gz YKYGDMAGLMJXMK-IHRRRGAJSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336906989 170022259 /nfs/dbraw/zinc/02/22/59/170022259.db2.gz YKYGDMAGLMJXMK-IHRRRGAJSA-N 2 1 237.391 1.297 10 0 BDAEMP CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000336906989 170022260 /nfs/dbraw/zinc/02/22/60/170022260.db2.gz YKYGDMAGLMJXMK-IHRRRGAJSA-N 2 1 237.391 1.297 10 0 BDAEMP CCN1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336906989 170022261 /nfs/dbraw/zinc/02/22/61/170022261.db2.gz YKYGDMAGLMJXMK-IHRRRGAJSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000328277858 170023076 /nfs/dbraw/zinc/02/30/76/170023076.db2.gz RDAVQLVGTWHWMT-UPJWGTAASA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000328277858 170023077 /nfs/dbraw/zinc/02/30/77/170023077.db2.gz RDAVQLVGTWHWMT-UPJWGTAASA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000328277858 170023078 /nfs/dbraw/zinc/02/30/78/170023078.db2.gz RDAVQLVGTWHWMT-UPJWGTAASA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH2+]C1CCN(C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000037485132 170108619 /nfs/dbraw/zinc/10/86/19/170108619.db2.gz FVDYJASLNRAUQV-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711757 170110969 /nfs/dbraw/zinc/11/09/69/170110969.db2.gz YOWZVNFSJQQVIW-ZDUSSCGKSA-N 2 1 240.391 1.613 10 0 BDAEMP CC[NH2+]CCCNc1[nH]c2ccccc2[nH+]1 ZINC000038043394 170113012 /nfs/dbraw/zinc/11/30/12/170113012.db2.gz YPAJNOUNHCRIFI-UHFFFAOYSA-N 2 1 218.304 1.974 10 0 BDAEMP CC[NH2+]C[C@@H]1CCN(C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000053031364 170119975 /nfs/dbraw/zinc/11/99/75/170119975.db2.gz LBMDMFAZHLXNME-UONOGXRCSA-N 2 1 239.407 1.260 10 0 BDAEMP CC[NH2+][C@@H](C)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000082477900 170139324 /nfs/dbraw/zinc/13/93/24/170139324.db2.gz AXPHKWIYYRJFMB-NWDGAFQWSA-N 2 1 213.369 1.010 10 0 BDAEMP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104420287 170140660 /nfs/dbraw/zinc/14/06/60/170140660.db2.gz UMVHJIDKZMECFY-FQUUOJAGSA-N 2 1 240.391 1.610 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095091449 170151651 /nfs/dbraw/zinc/15/16/51/170151651.db2.gz QWSAFDJDZVPCLE-HUUCEWRRSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095091449 170151652 /nfs/dbraw/zinc/15/16/52/170151652.db2.gz QWSAFDJDZVPCLE-HUUCEWRRSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+][C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000049713223 170153073 /nfs/dbraw/zinc/15/30/73/170153073.db2.gz VGKKSFWLPZSHAR-MGPQQGTHSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1C ZINC000042821755 170168274 /nfs/dbraw/zinc/16/82/74/170168274.db2.gz YYEBFZQDUCFRNM-IHRRRGAJSA-N 2 1 240.391 1.875 10 0 BDAEMP CCOC(=O)CCN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565359 170209821 /nfs/dbraw/zinc/20/98/21/170209821.db2.gz GQSQULJNPWXTOZ-VXGBXAGGSA-N 2 1 240.347 1.156 10 0 BDAEMP CCOC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565359 170209824 /nfs/dbraw/zinc/20/98/24/170209824.db2.gz GQSQULJNPWXTOZ-VXGBXAGGSA-N 2 1 240.347 1.156 10 0 BDAEMP Nc1cc([C@H]2CCC[N@H+](CCO)CC2)cc[nH+]1 ZINC000616600414 411950533 /nfs/dbraw/zinc/95/05/33/411950533.db2.gz IVNRKJNYEZPHLZ-NSHDSACASA-N 2 1 235.331 1.226 10 0 BDAEMP Nc1cc([C@H]2CCC[N@@H+](CCO)CC2)cc[nH+]1 ZINC000616600414 411950539 /nfs/dbraw/zinc/95/05/39/411950539.db2.gz IVNRKJNYEZPHLZ-NSHDSACASA-N 2 1 235.331 1.226 10 0 BDAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](CCO)C2CC2)C1 ZINC000042478781 171040812 /nfs/dbraw/zinc/04/08/12/171040812.db2.gz UIMYNXJQLSBDAO-MBNYWOFBSA-N 2 1 240.391 1.597 10 0 BDAEMP CC[C@@H]1C[N@H+]([C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])CCO1 ZINC000036769170 171095624 /nfs/dbraw/zinc/09/56/24/171095624.db2.gz CTNYOJWUMUJTHD-AAVRWANBSA-N 2 1 240.391 1.861 10 0 BDAEMP CC[C@H](C)[N@@H+](CCOC)Cc1cc(C[NH3+])no1 ZINC000052547360 171315806 /nfs/dbraw/zinc/31/58/06/171315806.db2.gz DXKXGPGZVPZSDJ-JTQLQIEISA-N 2 1 241.335 1.380 10 0 BDAEMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000665235930 412176509 /nfs/dbraw/zinc/17/65/09/412176509.db2.gz CMOGXXISCYLDOZ-STQMWFEESA-N 2 1 239.407 1.591 10 0 BDAEMP CC(C)[C@H]([NH3+])CCNc1cc[nH+]cc1Cl ZINC000663275659 412405627 /nfs/dbraw/zinc/40/56/27/412405627.db2.gz AZMDJJPKQHXSTN-SNVBAGLBSA-N 2 1 227.739 1.942 10 0 BDAEMP CCn1cccc1C[NH2+]CCC[NH+](C)C ZINC000085608425 172207554 /nfs/dbraw/zinc/20/75/54/172207554.db2.gz YJKKFCBOXNVFTN-UHFFFAOYSA-N 2 1 209.337 1.549 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CNc1cc[nH+]cc1N ZINC000044563552 173009876 /nfs/dbraw/zinc/00/98/76/173009876.db2.gz CSQHWYGDTNEFGX-JTQLQIEISA-N 2 1 220.320 1.560 10 0 BDAEMP C[N@H+]1CCC[C@H](CNC2=[NH+]CCS2)C1 ZINC000044538298 173041970 /nfs/dbraw/zinc/04/19/70/173041970.db2.gz RGFFDXHXNCVYLR-SECBINFHSA-N 2 1 213.350 1.021 10 0 BDAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CCCO ZINC000305660229 173050392 /nfs/dbraw/zinc/05/03/92/173050392.db2.gz XTJQPJFJUIRLEF-KBPBESRZSA-N 2 1 240.391 1.708 10 0 BDAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CCCO ZINC000305660229 173050394 /nfs/dbraw/zinc/05/03/94/173050394.db2.gz XTJQPJFJUIRLEF-KBPBESRZSA-N 2 1 240.391 1.708 10 0 BDAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1CCCO ZINC000305660229 173050395 /nfs/dbraw/zinc/05/03/95/173050395.db2.gz XTJQPJFJUIRLEF-KBPBESRZSA-N 2 1 240.391 1.708 10 0 BDAEMP C[N@H+]1CC[C@@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000037485231 173114245 /nfs/dbraw/zinc/11/42/45/173114245.db2.gz DFOUJHIPOSSOSD-VIFPVBQESA-N 2 1 227.377 1.409 10 0 BDAEMP C[N@@H+]1CC[C@@H](Cn2c[nH+]c3cc(N)ccc32)C1 ZINC000052853031 173117974 /nfs/dbraw/zinc/11/79/74/173117974.db2.gz NMSTYDLECKXUDM-SNVBAGLBSA-N 2 1 230.315 1.570 10 0 BDAEMP C[N@H+]1CC[C@@H](Cn2c[nH+]c3cc(N)ccc32)C1 ZINC000052853031 173117976 /nfs/dbraw/zinc/11/79/76/173117976.db2.gz NMSTYDLECKXUDM-SNVBAGLBSA-N 2 1 230.315 1.570 10 0 BDAEMP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000037646642 173147936 /nfs/dbraw/zinc/14/79/36/173147936.db2.gz JVFVGEYRKNZGKL-LLVKDONJSA-N 2 1 248.326 1.457 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000037646642 173147939 /nfs/dbraw/zinc/14/79/39/173147939.db2.gz JVFVGEYRKNZGKL-LLVKDONJSA-N 2 1 248.326 1.457 10 0 BDAEMP C[N@@H+]1CC[C@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000042545008 173155062 /nfs/dbraw/zinc/15/50/62/173155062.db2.gz HUQGHHJDNBMUTD-JTQLQIEISA-N 2 1 242.326 1.933 10 0 BDAEMP C[N@H+]1CC[C@H](Nc2ccc(N)c3c[nH+]ccc23)C1 ZINC000042545008 173155064 /nfs/dbraw/zinc/15/50/64/173155064.db2.gz HUQGHHJDNBMUTD-JTQLQIEISA-N 2 1 242.326 1.933 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NCC[NH+]1CCCC1)C2 ZINC000020523982 173206911 /nfs/dbraw/zinc/20/69/11/173206911.db2.gz CJDKNXCKYZWWOK-AGUYFDCRSA-N 2 1 237.391 1.297 10 0 BDAEMP C[NH2+]CC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000077306739 173358341 /nfs/dbraw/zinc/35/83/41/173358341.db2.gz LXXOVVLKHXHMBP-GFCCVEGCSA-N 2 1 214.353 1.221 10 0 BDAEMP C[NH2+]C[C@@H](C)C[NH+]1Cc2ccccc2C1 ZINC000052374279 173364117 /nfs/dbraw/zinc/36/41/17/173364117.db2.gz KEJWYBAIAGCGJW-LLVKDONJSA-N 2 1 204.317 1.858 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@H+]2CCCC[C@H]2C)CCCOC1 ZINC000104319882 173373230 /nfs/dbraw/zinc/37/32/30/173373230.db2.gz GNMNXHKOVMPVEI-ZIAGYGMSSA-N 2 1 240.391 1.877 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@H+]2CCCC[C@H]2C)CCOC1 ZINC000051208964 173373658 /nfs/dbraw/zinc/37/36/58/173373658.db2.gz LSXUNTDTXZYXOC-CHWSQXEVSA-N 2 1 226.364 1.487 10 0 BDAEMP C[NH2+]Cc1ccoc1Cn1cc[nH+]c1C ZINC000052576065 173391221 /nfs/dbraw/zinc/39/12/21/173391221.db2.gz FHDAYQZUITYGQO-UHFFFAOYSA-N 2 1 205.261 1.552 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@H+]1CC[C@H](C)C1 ZINC000052484369 173391439 /nfs/dbraw/zinc/39/14/39/173391439.db2.gz AUHVWIIGXFIZIF-JTQLQIEISA-N 2 1 208.305 1.841 10 0 BDAEMP C[NH2+]Cc1occc1C[NH+]1CCSCC1 ZINC000052425563 173399499 /nfs/dbraw/zinc/39/94/99/173399499.db2.gz JYODPNRRQPJLEH-UHFFFAOYSA-N 2 1 226.345 1.548 10 0 BDAEMP COCCC[N@@H+](CCOC)[C@](C)(C[NH3+])C1CC1 ZINC000042420773 174226388 /nfs/dbraw/zinc/22/63/88/174226388.db2.gz NNBXBBZQANTEDI-CYBMUJFWSA-N 2 1 244.379 1.099 10 0 BDAEMP COCCC[NH2+]CC[NH+]1CCCCCC1 ZINC000041227746 174247020 /nfs/dbraw/zinc/24/70/20/174247020.db2.gz LCBCADVORNKXST-UHFFFAOYSA-N 2 1 214.353 1.489 10 0 BDAEMP COCC[N@@H+](C)CC[C@@H]([NH3+])c1ccccc1C ZINC000054022123 174278750 /nfs/dbraw/zinc/27/87/50/174278750.db2.gz KABOXLPHQZWXJK-CQSZACIVSA-N 2 1 236.359 1.963 10 0 BDAEMP COCC[N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267787 174281262 /nfs/dbraw/zinc/28/12/62/174281262.db2.gz UAESGNKGYLNGJW-UHFFFAOYSA-N 2 1 239.294 1.188 10 0 BDAEMP COCC[N@@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267787 174281265 /nfs/dbraw/zinc/28/12/65/174281265.db2.gz UAESGNKGYLNGJW-UHFFFAOYSA-N 2 1 239.294 1.188 10 0 BDAEMP COCC[N@H+](CC1([NH3+])CCCC1)[C@@H](C)COC ZINC000042610820 174288340 /nfs/dbraw/zinc/28/83/40/174288340.db2.gz NSVDGXOTLWONSU-LBPRGKRZSA-N 2 1 244.379 1.241 10 0 BDAEMP COCC[N@@H+](CC1([NH3+])CCCC1)[C@@H](C)COC ZINC000042610820 174288341 /nfs/dbraw/zinc/28/83/41/174288341.db2.gz NSVDGXOTLWONSU-LBPRGKRZSA-N 2 1 244.379 1.241 10 0 BDAEMP COCC[N@H+]([C@@H](C)COC)[C@@](C)(C[NH3+])C1CC1 ZINC000042602975 174302075 /nfs/dbraw/zinc/30/20/75/174302075.db2.gz JJJVQZPCZWMEIC-AAEUAGOBSA-N 2 1 244.379 1.097 10 0 BDAEMP COCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371896739 174386739 /nfs/dbraw/zinc/38/67/39/174386739.db2.gz ADXVWWUEEQOZBF-MNOVXSKESA-N 2 1 223.320 1.213 10 0 BDAEMP C[C@@H]1CC[N@@H+](CCc2ccco2)CCC[NH2+]1 ZINC000049667367 176169577 /nfs/dbraw/zinc/16/95/77/176169577.db2.gz WGJMSNBEEPGDBR-GFCCVEGCSA-N 2 1 222.332 1.896 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H](O)[C@H]1[NH3+] ZINC000245204376 176175194 /nfs/dbraw/zinc/17/51/94/176175194.db2.gz AKYCYJKHFYEHSO-BNOWGMLFSA-N 2 1 234.343 1.217 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccn1 ZINC000042427382 176201907 /nfs/dbraw/zinc/20/19/07/176201907.db2.gz TYSYXCHVNLVYRH-NEPJUHHUSA-N 2 1 219.332 1.641 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[NH+](C)C1 ZINC000037646710 176280571 /nfs/dbraw/zinc/28/05/71/176280571.db2.gz GHVQRJOPFQJKEL-YIYPIFLZSA-N 2 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[N@H+](C)C1 ZINC000037646710 176280572 /nfs/dbraw/zinc/28/05/72/176280572.db2.gz GHVQRJOPFQJKEL-YIYPIFLZSA-N 2 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[N@@H+](C)C1 ZINC000037646710 176280574 /nfs/dbraw/zinc/28/05/74/176280574.db2.gz GHVQRJOPFQJKEL-YIYPIFLZSA-N 2 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[NH+](C)C1 ZINC000037646710 176280575 /nfs/dbraw/zinc/28/05/75/176280575.db2.gz GHVQRJOPFQJKEL-YIYPIFLZSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[NH+](C)C1 ZINC000037646710 176280577 /nfs/dbraw/zinc/28/05/77/176280577.db2.gz GHVQRJOPFQJKEL-YIYPIFLZSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037646710 176280579 /nfs/dbraw/zinc/28/05/79/176280579.db2.gz GHVQRJOPFQJKEL-YIYPIFLZSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037646710 176280580 /nfs/dbraw/zinc/28/05/80/176280580.db2.gz GHVQRJOPFQJKEL-YIYPIFLZSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1CN([C@@H]2CC[N@H+]3CCCC[C@H]23)CC[C@@H]1[NH3+] ZINC000049714293 176315705 /nfs/dbraw/zinc/31/57/05/176315705.db2.gz ZNHLNOKGKPEWAD-XJFOESAGSA-N 2 1 237.391 1.282 10 0 BDAEMP C[C@@H]1COCC[N@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764352 176336180 /nfs/dbraw/zinc/33/61/80/176336180.db2.gz IALDOYIAYDTJMB-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@@H]1COCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000035776346 176337188 /nfs/dbraw/zinc/33/71/88/176337188.db2.gz KUXFPINSWBPBSJ-SNVBAGLBSA-N 2 1 233.315 1.191 10 0 BDAEMP C[C@@H]1COCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000035776346 176337190 /nfs/dbraw/zinc/33/71/90/176337190.db2.gz KUXFPINSWBPBSJ-SNVBAGLBSA-N 2 1 233.315 1.191 10 0 BDAEMP C[C@H](c1ccc(O)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245052 177035351 /nfs/dbraw/zinc/03/53/51/177035351.db2.gz ANCIEBNZRCQAFJ-GHMZBOCLSA-N 2 1 220.316 1.734 10 0 BDAEMP C[C@H]1CCCC[N@H+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657705 177076095 /nfs/dbraw/zinc/07/60/95/177076095.db2.gz YYCOHSYLUBGMKY-JTQLQIEISA-N 2 1 232.331 1.740 10 0 BDAEMP C[C@H]1CCC[N@H+]1CC1(C[NH3+])CCOCC1 ZINC000052180459 177109271 /nfs/dbraw/zinc/10/92/71/177109271.db2.gz WFAVBUZCUCTBSE-NSHDSACASA-N 2 1 212.337 1.226 10 0 BDAEMP C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000037910038 177109512 /nfs/dbraw/zinc/10/95/12/177109512.db2.gz SURUVCPFRIKIIZ-NSHDSACASA-N 2 1 247.342 1.568 10 0 BDAEMP C[C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000044390373 177170373 /nfs/dbraw/zinc/17/03/73/177170373.db2.gz KDNDZFXVDWMCML-QWHCGFSZSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@H]1CC[N@@H+]([C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000044390373 177170375 /nfs/dbraw/zinc/17/03/75/177170375.db2.gz KDNDZFXVDWMCML-QWHCGFSZSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000044390373 177170376 /nfs/dbraw/zinc/17/03/76/177170376.db2.gz KDNDZFXVDWMCML-QWHCGFSZSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@H]1CC[C@H](C[NH3+])[N@@H+]1Cc1ccccc1 ZINC000039318913 177200568 /nfs/dbraw/zinc/20/05/68/177200568.db2.gz PQXFFBLKACKRKM-WCQYABFASA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@H]1CC[C@H](C[NH3+])[N@H+]1Cc1ccccc1 ZINC000039318913 177200571 /nfs/dbraw/zinc/20/05/71/177200571.db2.gz PQXFFBLKACKRKM-WCQYABFASA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@H+](Cc2ccncc2)C1 ZINC000049666621 177282211 /nfs/dbraw/zinc/28/22/11/177282211.db2.gz MZVOTMAUBREYNN-LBPRGKRZSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+](Cc2ccncc2)C1 ZINC000049666621 177282212 /nfs/dbraw/zinc/28/22/12/177282212.db2.gz MZVOTMAUBREYNN-LBPRGKRZSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@H+](CCc2ccco2)C1 ZINC000049662438 177282918 /nfs/dbraw/zinc/28/29/18/177282918.db2.gz LXQJNXIXKWCATI-NSHDSACASA-N 2 1 208.305 1.363 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@@H+](CCc2ccco2)C1 ZINC000049662438 177282920 /nfs/dbraw/zinc/28/29/20/177282920.db2.gz LXQJNXIXKWCATI-NSHDSACASA-N 2 1 208.305 1.363 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)CN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000049667048 177285359 /nfs/dbraw/zinc/28/53/59/177285359.db2.gz WJSCNCGKRFIQIG-MELADBBJSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)CN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000049667048 177285361 /nfs/dbraw/zinc/28/53/61/177285361.db2.gz WJSCNCGKRFIQIG-MELADBBJSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)CN(C2CC[NH+](C)CC2)C1 ZINC000049665947 177286011 /nfs/dbraw/zinc/28/60/11/177286011.db2.gz OBFAMWTUKLPPTM-STQMWFEESA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccncc1 ZINC000049712966 177326532 /nfs/dbraw/zinc/32/65/32/177326532.db2.gz CFKBVIKHHCBRTB-AAEUAGOBSA-N 2 1 219.332 1.436 10 0 BDAEMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006213 177333746 /nfs/dbraw/zinc/33/37/46/177333746.db2.gz GHCXEMQIRXBZSB-JFGNBEQYSA-N 2 1 222.336 1.228 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006213 177333748 /nfs/dbraw/zinc/33/37/48/177333748.db2.gz GHCXEMQIRXBZSB-JFGNBEQYSA-N 2 1 222.336 1.228 10 0 BDAEMP C[C@H]([NH2+][C@H]1COc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400419592 225233313 /nfs/dbraw/zinc/23/33/13/225233313.db2.gz WKDJGCMSMSTCBX-LOWVWBTDSA-N 2 1 232.327 1.708 10 0 BDAEMP Cc1cccc(N[C@@H](CC[NH3+])C(F)F)[nH+]1 ZINC000394825275 487799597 /nfs/dbraw/zinc/79/95/97/487799597.db2.gz WNDWBRRYGHAMGL-QMMMGPOBSA-N 2 1 215.247 1.784 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@H]1CC[NH2+]C1 ZINC000252584303 487826788 /nfs/dbraw/zinc/82/67/88/487826788.db2.gz ZWDCSFBMVIIMOO-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP Fc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc(F)c1F ZINC000398398032 323185520 /nfs/dbraw/zinc/18/55/20/323185520.db2.gz MHLQFWNMEWSAST-MRVPVSSYSA-N 2 1 244.260 1.803 10 0 BDAEMP CCC[N@@H+](CC)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225814009 488080766 /nfs/dbraw/zinc/08/07/66/488080766.db2.gz ZSCFDTKOADWCCF-GFCCVEGCSA-N 2 1 243.395 1.208 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]12 ZINC000662266567 490042933 /nfs/dbraw/zinc/04/29/33/490042933.db2.gz NCDSOUXRSLDINL-LMLFDSFASA-N 2 1 246.301 1.080 10 0 BDAEMP CC[C@H](C)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000309244139 491146609 /nfs/dbraw/zinc/14/66/09/491146609.db2.gz YWJIYGBOCQCLBI-NSHDSACASA-N 2 1 214.353 1.079 10 0 BDAEMP FCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757126764 582501352 /nfs/dbraw/zinc/50/13/52/582501352.db2.gz GZMXGMYPSJXRAJ-NSHDSACASA-N 2 1 200.301 1.564 10 0 BDAEMP FCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757126764 582501353 /nfs/dbraw/zinc/50/13/53/582501353.db2.gz GZMXGMYPSJXRAJ-NSHDSACASA-N 2 1 200.301 1.564 10 0 BDAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757138037 582516570 /nfs/dbraw/zinc/51/65/70/582516570.db2.gz AEQGYJRWDQSZQL-LBPRGKRZSA-N 2 1 210.321 1.198 10 0 BDAEMP C1CC[C@@H]2COC3(CC[NH2+]CC3)[NH2+][C@@H]2C1 ZINC000757138668 582518311 /nfs/dbraw/zinc/51/83/11/582518311.db2.gz CYVQUGFXWWUVOL-GHMZBOCLSA-N 2 1 210.321 1.245 10 0 BDAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757145761 582528226 /nfs/dbraw/zinc/52/82/26/582528226.db2.gz QLKXWASQWRKSRY-CYBMUJFWSA-N 2 1 224.348 1.589 10 0 BDAEMP CC(C)[C@H]1OC2(CC[NH+](C)CC2)[NH2+]CC12CC2 ZINC000757150124 582533888 /nfs/dbraw/zinc/53/38/88/582533888.db2.gz XCMOBONURINNNY-GFCCVEGCSA-N 2 1 238.375 1.833 10 0 BDAEMP CC(=O)c1ccc([C@H]2CC[NH2+]C[C@H]2[NH3+])cc1 ZINC000757209848 582560326 /nfs/dbraw/zinc/56/03/26/582560326.db2.gz DGRIRFWPDBKPHF-CHWSQXEVSA-N 2 1 218.300 1.293 10 0 BDAEMP CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400539134 528549497 /nfs/dbraw/zinc/54/94/97/528549497.db2.gz UJLASJXAYDGVDY-QJPTWQEYSA-N 2 1 214.353 1.124 10 0 BDAEMP CC[NH+]1CCN([C@@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC000179570853 535734677 /nfs/dbraw/zinc/73/46/77/535734677.db2.gz BITDSYMWADDFRF-CQSZACIVSA-N 2 1 237.391 1.251 10 0 BDAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000074174600 537915808 /nfs/dbraw/zinc/91/58/08/537915808.db2.gz OLZBJSJPWLDTHY-NWDGAFQWSA-N 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UBXGLMPGVVJKSP-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1cccc(N)c1 ZINC000757208645 586437847 /nfs/dbraw/zinc/43/78/47/586437847.db2.gz AKIQZIONGWSEJP-GGZOMVNGSA-N 2 1 205.305 1.267 10 0 BDAEMP C[C@@H]1CC[NH2+][C@H](c2ccc(C[NH3+])cc2)[C@H]1N ZINC000757213694 586439854 /nfs/dbraw/zinc/43/98/54/586439854.db2.gz LOKYLSVABMXBND-JIMOISOXSA-N 2 1 219.332 1.143 10 0 BDAEMP C[C@@H]1CC[NH2+][C@H](c2ccc(C[NH3+])cc2)[C@@H]1N ZINC000757213701 586439898 /nfs/dbraw/zinc/43/98/98/586439898.db2.gz LOKYLSVABMXBND-OASPWFOLSA-N 2 1 219.332 1.143 10 0 BDAEMP C[C@@H]1CC[C@@H](N)[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757214541 586440134 /nfs/dbraw/zinc/44/01/34/586440134.db2.gz MPKYWJCYNHTCOS-OASPWFOLSA-N 2 1 219.332 1.286 10 0 BDAEMP C[C@@H]1CC[C@H](N)[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757218242 586441535 /nfs/dbraw/zinc/44/15/35/586441535.db2.gz UQSHEGCIWVNPGJ-JIMOISOXSA-N 2 1 219.332 1.286 10 0 BDAEMP C[C@@H]1CC[C@@H](N)[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757218247 586441825 /nfs/dbraw/zinc/44/18/25/586441825.db2.gz UQSHEGCIWVNPGJ-WQAKAFBOSA-N 2 1 219.332 1.286 10 0 BDAEMP C[C@@H]1C[C@H](c2cccc(N)c2)[NH2+]C[C@H]1[NH3+] ZINC000757219559 586442386 /nfs/dbraw/zinc/44/23/86/586442386.db2.gz YZGQIVIUTCPPDS-GGZOMVNGSA-N 2 1 205.305 1.267 10 0 BDAEMP CC(C)(C)n1cc([C@@H]2CC[C@@H](C[NH3+])[NH2+]C2)cn1 ZINC000757227127 586442886 /nfs/dbraw/zinc/44/28/86/586442886.db2.gz AWFJZYPERWUJHL-PWSUYJOCSA-N 2 1 236.363 1.432 10 0 BDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH2+]C1CC1 ZINC000251582064 635705069 /nfs/dbraw/zinc/70/50/69/635705069.db2.gz CKMAEGOCMOTJNZ-JSGCOSHPSA-N 2 1 237.391 1.297 10 0 BDAEMP CSCCCCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000235154529 632103093 /nfs/dbraw/zinc/10/30/93/632103093.db2.gz WNMUKUSPXMORSI-LLVKDONJSA-N 2 1 216.394 1.861 10 0 BDAEMP C[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000123456229 634240867 /nfs/dbraw/zinc/24/08/67/634240867.db2.gz GANIYAZILFWTOJ-NWDGAFQWSA-N 2 1 228.405 1.813 10 0 BDAEMP CC(C)[C@@H]1OC2(CC[NH2+]CC2)[NH2+]CC1(C)C ZINC000757143533 643308897 /nfs/dbraw/zinc/30/88/97/643308897.db2.gz NFNATHODQQDWEF-NSHDSACASA-N 2 1 226.364 1.737 10 0 BDAEMP C([C@H]1CCCO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082539984 643338682 /nfs/dbraw/zinc/33/86/82/643338682.db2.gz PZLVXZPEZITIJS-GFCCVEGCSA-N 2 1 224.348 1.241 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000248147817 644666790 /nfs/dbraw/zinc/66/67/90/644666790.db2.gz QKULVUDYRQDTFB-FVCCEPFGSA-N 2 1 226.364 1.362 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000248147817 644666798 /nfs/dbraw/zinc/66/67/98/644666798.db2.gz QKULVUDYRQDTFB-FVCCEPFGSA-N 2 1 226.364 1.362 10 0 BDAEMP [NH3+]CCCCCCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000094462375 644719516 /nfs/dbraw/zinc/71/95/16/644719516.db2.gz VBGVHMIHSGFKCB-AWEZNQCLSA-N 2 1 239.407 1.676 10 0 BDAEMP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712674404 712440592 /nfs/dbraw/zinc/44/05/92/712440592.db2.gz RXLUJUQGNTUXEV-LLVKDONJSA-N 2 1 241.379 1.057 10 0 BDAEMP C=C/C=C/CC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000713758226 712471866 /nfs/dbraw/zinc/47/18/66/712471866.db2.gz QDXQTAXUFOCJFO-PBJSTTKNSA-N 2 1 224.348 1.557 10 0 BDAEMP C=C/C=C/CC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000713758226 712471867 /nfs/dbraw/zinc/47/18/67/712471867.db2.gz QDXQTAXUFOCJFO-PBJSTTKNSA-N 2 1 224.348 1.557 10 0 BDAEMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)O1 ZINC000724303892 710737859 /nfs/dbraw/zinc/73/78/59/710737859.db2.gz OSBXQUZKIXUQLA-XVIXHAIJSA-N 2 1 240.391 1.920 10 0 BDAEMP CCc1ccccc1[C@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000669384787 711790245 /nfs/dbraw/zinc/79/02/45/711790245.db2.gz GJKUXNJHBZCHMH-CHWSQXEVSA-N 2 1 204.317 1.653 10 0 BDAEMP C[NH+]1C[C@]2(C)C[NH+](CC(C)(C)O)C[C@@]2(C)C1 ZINC000705665506 712134756 /nfs/dbraw/zinc/13/47/56/712134756.db2.gz FOBDUPHSQNUNSH-CHWSQXEVSA-N 2 1 226.364 1.031 10 0 BDAEMP C[NH+]1C[C@]2(C)C[NH+](CC3(O)CCC3)C[C@@]2(C)C1 ZINC000706257403 712142827 /nfs/dbraw/zinc/14/28/27/712142827.db2.gz SPKABRCRXUVSJF-CHWSQXEVSA-N 2 1 238.375 1.175 10 0 BDAEMP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000708341876 712188974 /nfs/dbraw/zinc/18/89/74/712188974.db2.gz WQFCQIBGJGPOQZ-ZDEQEGDKSA-N 2 1 238.375 1.471 10 0 BDAEMP C[C@@H]1C[N@@H+](CCSC(F)(F)F)C[C@@H]1C[NH3+] ZINC000708862197 712201329 /nfs/dbraw/zinc/20/13/29/712201329.db2.gz NLCMCBPIMONZPK-SFYZADRCSA-N 2 1 242.310 1.766 10 0 BDAEMP O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000709854868 712229802 /nfs/dbraw/zinc/22/98/02/712229802.db2.gz QFCNBJQOOYRHPL-HZSPNIEDSA-N 2 1 238.375 1.221 10 0 BDAEMP COC1CC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000715015288 712504028 /nfs/dbraw/zinc/50/40/28/712504028.db2.gz IDAZITTZEBENCT-FKZOYECMSA-N 2 1 238.375 1.485 10 0 BDAEMP COC1CC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000715015288 712504030 /nfs/dbraw/zinc/50/40/30/712504030.db2.gz IDAZITTZEBENCT-FKZOYECMSA-N 2 1 238.375 1.485 10 0 BDAEMP COC1CC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000715015292 712504037 /nfs/dbraw/zinc/50/40/37/712504037.db2.gz IDAZITTZEBENCT-HHTDUIENSA-N 2 1 238.375 1.485 10 0 BDAEMP COC1CC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000715015292 712504039 /nfs/dbraw/zinc/50/40/39/712504039.db2.gz IDAZITTZEBENCT-HHTDUIENSA-N 2 1 238.375 1.485 10 0 BDAEMP CCC[N@@H+](C[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037469622 712642812 /nfs/dbraw/zinc/64/28/12/712642812.db2.gz KDPQPLCFQOMGRH-ZDUSSCGKSA-N 2 1 226.364 1.629 10 0 BDAEMP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CCC(=O)CC2 ZINC000685955410 538901078 /nfs/dbraw/zinc/90/10/78/538901078.db2.gz ZDFKLCUNXHOMCM-LLVKDONJSA-N 2 1 210.321 1.310 10 0 BDAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCC(=O)CC2 ZINC000685955410 538901080 /nfs/dbraw/zinc/90/10/80/538901080.db2.gz ZDFKLCUNXHOMCM-LLVKDONJSA-N 2 1 210.321 1.310 10 0 BDAEMP COc1cc(F)cc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965410 538911745 /nfs/dbraw/zinc/91/17/45/538911745.db2.gz CNGIMDZQZDIPOE-VXGBXAGGSA-N 2 1 224.279 1.239 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 ZINC000685965727 538912360 /nfs/dbraw/zinc/91/23/60/538912360.db2.gz QGNXEQZWGVTAJX-KBPBESRZSA-N 2 1 216.328 1.968 10 0 BDAEMP Cc1ccc(F)c([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965732 538912479 /nfs/dbraw/zinc/91/24/79/538912479.db2.gz QHAPFTDTEDQCPS-JQWIXIFHSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1F ZINC000685965614 538912566 /nfs/dbraw/zinc/91/25/66/538912566.db2.gz LDSDHCCYXMJDEA-JQWIXIFHSA-N 2 1 208.280 1.538 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c(C)c1 ZINC000685965859 538912652 /nfs/dbraw/zinc/91/26/52/538912652.db2.gz WOMKRVJHPFUOEV-STQMWFEESA-N 2 1 220.316 1.408 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(F)c1F ZINC000685965905 538913011 /nfs/dbraw/zinc/91/30/11/538913011.db2.gz YLCMXWWJKJLFRH-KWQFWETISA-N 2 1 212.243 1.369 10 0 BDAEMP CCC(CC)(C[NH3+])[N@@H+](CCOC)[C@@H](C)COC ZINC000042606623 168323483 /nfs/dbraw/zinc/32/34/83/168323483.db2.gz YBKSGOKPDISXDK-LBPRGKRZSA-N 2 1 246.395 1.487 10 0 BDAEMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037164701 538961665 /nfs/dbraw/zinc/96/16/65/538961665.db2.gz WESNALQMOCLORV-STQMWFEESA-N 2 1 226.364 1.364 10 0 BDAEMP Cc1c[nH+]ccc1NC[C@@H](C)[NH+]1CCOCC1 ZINC000191978525 538994023 /nfs/dbraw/zinc/99/40/23/538994023.db2.gz KFQQLGXAKNKVOF-GFCCVEGCSA-N 2 1 235.331 1.523 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](OC)C1 ZINC000233585822 342874213 /nfs/dbraw/zinc/87/42/13/342874213.db2.gz AOSBVVSLGHDUGI-UTUOFQBUSA-N 2 1 212.337 1.238 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](OC)C1 ZINC000233585822 342874214 /nfs/dbraw/zinc/87/42/14/342874214.db2.gz AOSBVVSLGHDUGI-UTUOFQBUSA-N 2 1 212.337 1.238 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000222589355 259328591 /nfs/dbraw/zinc/32/85/91/259328591.db2.gz OLWBVTNXHCLUPO-MJBXVCDLSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000222589355 259328593 /nfs/dbraw/zinc/32/85/93/259328593.db2.gz OLWBVTNXHCLUPO-MJBXVCDLSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000222589355 259328595 /nfs/dbraw/zinc/32/85/95/259328595.db2.gz OLWBVTNXHCLUPO-MJBXVCDLSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@H]1[C@H](N)CCC[N@H+]1C[Si](C)(C)C ZINC000401789861 343241537 /nfs/dbraw/zinc/24/15/37/343241537.db2.gz HSTDCYKXQIAYHB-VHSXEESVSA-N 2 1 200.402 1.675 10 0 BDAEMP CC(C)(C)[C@H]([NH3+])C[N@@H+]1CCCSCC1 ZINC000157777240 343366166 /nfs/dbraw/zinc/36/61/66/343366166.db2.gz ORIDSFGVRYWVNA-SNVBAGLBSA-N 2 1 216.394 1.799 10 0 BDAEMP CC(C)(C)[C@H]([NH3+])C[N@H+]1CCCSCC1 ZINC000157777240 343366167 /nfs/dbraw/zinc/36/61/67/343366167.db2.gz ORIDSFGVRYWVNA-SNVBAGLBSA-N 2 1 216.394 1.799 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[Si](C)(C)C ZINC000401837786 343733954 /nfs/dbraw/zinc/73/39/54/343733954.db2.gz FSRRWKNZONWOPL-ZJUUUORDSA-N 2 1 200.402 1.675 10 0 BDAEMP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000225935717 343793161 /nfs/dbraw/zinc/79/31/61/343793161.db2.gz YMTFUHMWLZUZGC-UONOGXRCSA-N 2 1 216.328 1.856 10 0 BDAEMP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000225935717 343793162 /nfs/dbraw/zinc/79/31/62/343793162.db2.gz YMTFUHMWLZUZGC-UONOGXRCSA-N 2 1 216.328 1.856 10 0 BDAEMP COC[C@H]1C[N@@H+](CCC[NH3+])CC12CCCC2 ZINC000409435482 343833787 /nfs/dbraw/zinc/83/37/87/343833787.db2.gz UYQYWTBUZIWROV-GFCCVEGCSA-N 2 1 226.364 1.474 10 0 BDAEMP CCOC[C@H]1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1C ZINC000409435584 343834433 /nfs/dbraw/zinc/83/44/33/343834433.db2.gz VLVWIBMQTBAGLV-NWDGAFQWSA-N 2 1 226.364 1.343 10 0 BDAEMP COC[C@@]12C[N@@H+](CCC[NH3+])C[C@@H]1CCCC2 ZINC000409435568 343834491 /nfs/dbraw/zinc/83/44/91/343834491.db2.gz VLJFTZXUAKUAJC-QWHCGFSZSA-N 2 1 226.364 1.474 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@H+]1CCC[NH2+]CC1 ZINC000235367755 343964371 /nfs/dbraw/zinc/96/43/71/343964371.db2.gz HMEURXZLWQQYLQ-VHSXEESVSA-N 2 1 200.351 1.176 10 0 BDAEMP CS[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000235123139 344804727 /nfs/dbraw/zinc/80/47/27/344804727.db2.gz RYSZVOXOMQIFJW-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000235123139 344804729 /nfs/dbraw/zinc/80/47/29/344804729.db2.gz RYSZVOXOMQIFJW-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP CSC1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000235248640 344856923 /nfs/dbraw/zinc/85/69/23/344856923.db2.gz XPYOQPYWZVWXDW-KPPDAEKUSA-N 2 1 214.378 1.694 10 0 BDAEMP CSC1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000235248640 344856925 /nfs/dbraw/zinc/85/69/25/344856925.db2.gz XPYOQPYWZVWXDW-KPPDAEKUSA-N 2 1 214.378 1.694 10 0 BDAEMP C[C@@H](CC[NH3+])Nc1cc[nH+]cc1Br ZINC000160031594 345788544 /nfs/dbraw/zinc/78/85/44/345788544.db2.gz UTJNSXZCCGVGRA-ZETCQYMHSA-N 2 1 244.136 1.993 10 0 BDAEMP CO[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000220408957 345861093 /nfs/dbraw/zinc/86/10/93/345861093.db2.gz DFJGQFMSWKEVSW-ZIAGYGMSSA-N 2 1 232.327 1.107 10 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1 249.358 1.505 10 0 BDAEMP O[C@H]1CC[NH2+]CC[C@@H]1[N@H+]1CCc2ccccc2C1 ZINC000616428234 347143092 /nfs/dbraw/zinc/14/30/92/347143092.db2.gz QVCIRNUMIWGDQP-GJZGRUSLSA-N 2 1 246.354 1.158 10 0 BDAEMP CCSCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601327653 347214158 /nfs/dbraw/zinc/21/41/58/347214158.db2.gz YEDCWDNMBRIGAL-ZJUUUORDSA-N 2 1 202.367 1.266 10 0 BDAEMP C[N@@H+](C[C@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250428993 362803876 /nfs/dbraw/zinc/80/38/76/362803876.db2.gz QRZPYRYCLKTNFE-QWHCGFSZSA-N 2 1 226.364 1.629 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCSC1 ZINC000250436747 362805104 /nfs/dbraw/zinc/80/51/04/362805104.db2.gz SENSVPLMHMUQQO-VWYCJHECSA-N 2 1 214.378 1.551 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccsc1 ZINC000250727085 362818628 /nfs/dbraw/zinc/81/86/28/362818628.db2.gz JPAAFNYKOJPTRZ-MWLCHTKSSA-N 2 1 210.346 1.960 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccsc1 ZINC000250727085 362818635 /nfs/dbraw/zinc/81/86/35/362818635.db2.gz JPAAFNYKOJPTRZ-MWLCHTKSSA-N 2 1 210.346 1.960 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCSC2)C1 ZINC000250770546 362819632 /nfs/dbraw/zinc/81/96/32/362819632.db2.gz UTNWOJGRNGUCHA-UWVGGRQHSA-N 2 1 200.351 1.033 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]CC[C@H]1c1ccc2c(c1)CCN2 ZINC000669381418 537994714 /nfs/dbraw/zinc/99/47/14/537994714.db2.gz JEVUKQHMHZRDPJ-NWDGAFQWSA-N 2 1 217.316 1.059 10 0 BDAEMP C[C@@H]1CC[N@H+](C2CCSCC2)C[C@H]1[NH3+] ZINC000251768220 362909089 /nfs/dbraw/zinc/90/90/89/362909089.db2.gz UXDFSWBYLJGFOP-MWLCHTKSSA-N 2 1 214.378 1.551 10 0 BDAEMP C(C[NH2+][C@H]1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000128894186 187395625 /nfs/dbraw/zinc/39/56/25/187395625.db2.gz YBEBQQJOLHPZSP-AWEZNQCLSA-N 3 1 239.407 1.594 10 0 BDAEMP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250672086 538023878 /nfs/dbraw/zinc/02/38/78/538023878.db2.gz VEOJNDLOADDGJY-RFQIPJPRSA-N 2 1 238.375 1.506 10 0 BDAEMP [NH3+]C[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000420189330 192172265 /nfs/dbraw/zinc/17/22/65/192172265.db2.gz DLQSMVQLVNXJLJ-GXSJLCMTSA-N 2 1 245.330 1.887 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000336715908 180238904 /nfs/dbraw/zinc/23/89/04/180238904.db2.gz VDPMUGCXLNFIBY-ZDUSSCGKSA-N 2 1 237.347 1.286 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CCO)C1 ZINC000336715908 180238909 /nfs/dbraw/zinc/23/89/09/180238909.db2.gz VDPMUGCXLNFIBY-ZDUSSCGKSA-N 2 1 237.347 1.286 10 0 BDAEMP Cc1[nH+]ccn1[C@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043348739 180272517 /nfs/dbraw/zinc/27/25/17/180272517.db2.gz CXZBRRLHPOKYMP-CABZTGNLSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1nccn1CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000049330234 180260902 /nfs/dbraw/zinc/26/09/02/180260902.db2.gz CAZZULDTTGQSOB-ZDUSSCGKSA-N 2 1 248.374 1.265 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000049330234 180260903 /nfs/dbraw/zinc/26/09/03/180260903.db2.gz CAZZULDTTGQSOB-ZDUSSCGKSA-N 3 1 248.374 1.265 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000049330234 180260906 /nfs/dbraw/zinc/26/09/06/180260906.db2.gz CAZZULDTTGQSOB-ZDUSSCGKSA-N 3 1 248.374 1.265 10 0 BDAEMP Cc1[nH+]ccn1CCOc1cccc(F)c1C[NH3+] ZINC000049329245 180263736 /nfs/dbraw/zinc/26/37/36/180263736.db2.gz XMSLCLRBJRIGDM-UHFFFAOYSA-N 2 1 249.289 1.868 10 0 BDAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000038827568 180264068 /nfs/dbraw/zinc/26/40/68/180264068.db2.gz OAEFSYKLSSUYJT-LLVKDONJSA-N 2 1 245.282 1.620 10 0 BDAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1cccnc1 ZINC000043348730 180271223 /nfs/dbraw/zinc/27/12/23/180271223.db2.gz HPYKTDIQFDBUBY-LLVKDONJSA-N 2 1 202.261 1.135 10 0 BDAEMP CC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151310527 191113926 /nfs/dbraw/zinc/11/39/26/191113926.db2.gz FJTSZYNZXUKCES-VXGBXAGGSA-N 2 1 214.353 1.221 10 0 BDAEMP CC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151310469 191114100 /nfs/dbraw/zinc/11/41/00/191114100.db2.gz FJTSZYNZXUKCES-RYUDHWBXSA-N 2 1 214.353 1.221 10 0 BDAEMP CC[N@H+]1CCC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088018 490668501 /nfs/dbraw/zinc/66/85/01/490668501.db2.gz YNYPXYRILCKKHW-NSHDSACASA-N 2 1 241.379 1.104 10 0 BDAEMP [NH3+][C@H]1CC[N@H+](C[C@H]2CCCSC2)C1 ZINC000306730753 350900316 /nfs/dbraw/zinc/90/03/16/350900316.db2.gz PUINPPUZGHJFPV-ZJUUUORDSA-N 2 1 200.351 1.163 10 0 BDAEMP [NH3+][C@H]1CC[N@@H+](C[C@H]2CCCSC2)C1 ZINC000306730753 350900318 /nfs/dbraw/zinc/90/03/18/350900318.db2.gz PUINPPUZGHJFPV-ZJUUUORDSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H]([NH3+])C(C)(C)C[N@@H+]1CCO[C@H](C)C1 ZINC000251934556 362990338 /nfs/dbraw/zinc/99/03/38/362990338.db2.gz ZBRHWOUHXJJJLE-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1CCO[C@H](C)C1 ZINC000251934556 362990344 /nfs/dbraw/zinc/99/03/44/362990344.db2.gz ZBRHWOUHXJJJLE-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]1C[C@@H]([N@@H+](C)C2CC([NH3+])C2)CS1 ZINC000306853344 351177203 /nfs/dbraw/zinc/17/72/03/351177203.db2.gz SYVQMYCJBYLBMU-AUXWQGHOSA-N 2 1 200.351 1.302 10 0 BDAEMP [NH3+]C[C@@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616661574 351210492 /nfs/dbraw/zinc/21/04/92/351210492.db2.gz VGJVEPYIBLDQDC-ZDUSSCGKSA-N 2 1 220.316 1.094 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]12 ZINC000306979115 351397398 /nfs/dbraw/zinc/39/73/98/351397398.db2.gz ORMROXDLRJQRDM-UIRISSMDSA-N 2 1 200.713 1.408 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]([N@@H+]2CCC=C(Cl)C2)C1 ZINC000404396405 351421808 /nfs/dbraw/zinc/42/18/08/351421808.db2.gz PYNOKWWHWIBHLS-ZJUUUORDSA-N 2 1 200.713 1.695 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CCC=C(Cl)C2)C1 ZINC000404396405 351421811 /nfs/dbraw/zinc/42/18/11/351421811.db2.gz PYNOKWWHWIBHLS-ZJUUUORDSA-N 2 1 200.713 1.695 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@]([NH3+])(CO)C1 ZINC000307159222 351509508 /nfs/dbraw/zinc/50/95/08/351509508.db2.gz UEIFDFMSGWKHLX-ZIAGYGMSSA-N 2 1 234.343 1.361 10 0 BDAEMP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]cc1Br ZINC000307231415 351686455 /nfs/dbraw/zinc/68/64/55/351686455.db2.gz BKDWMZUYOMAIPZ-RNFRBKRXSA-N 2 1 244.136 1.992 10 0 BDAEMP C[C@H]1[C@H](N2CC([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000307395351 352569710 /nfs/dbraw/zinc/56/97/10/352569710.db2.gz NOZBBXBXWBRWNJ-SWLSCSKDSA-N 2 1 245.370 1.292 10 0 BDAEMP C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273860 538104833 /nfs/dbraw/zinc/10/48/33/538104833.db2.gz NWSAWUIPWASLGS-BETUJISGSA-N 2 1 239.407 1.387 10 0 BDAEMP C[C@@H]1CCC[N@H+](C2CCN(CC[NH3+])CC2)[C@@H]1C ZINC000725273880 538105026 /nfs/dbraw/zinc/10/50/26/538105026.db2.gz PUFBTIVFNBPWMY-CHWSQXEVSA-N 2 1 239.407 1.530 10 0 BDAEMP C[C@@H]1COCC[C@]1(C[NH3+])[NH2+]Cc1ccccc1 ZINC000307615752 352674187 /nfs/dbraw/zinc/67/41/87/352674187.db2.gz QWLHZIJNGVUXMP-TZMCWYRMSA-N 2 1 234.343 1.530 10 0 BDAEMP CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380829 188061124 /nfs/dbraw/zinc/06/11/24/188061124.db2.gz RPUZZACYCIWUJL-LBPRGKRZSA-N 2 1 241.379 1.057 10 0 BDAEMP CC(C)N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380829 188061125 /nfs/dbraw/zinc/06/11/25/188061125.db2.gz RPUZZACYCIWUJL-LBPRGKRZSA-N 2 1 241.379 1.057 10 0 BDAEMP [NH3+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000022215898 188109382 /nfs/dbraw/zinc/10/93/82/188109382.db2.gz FACNLHQCGKYOBB-OAHLLOKOSA-N 2 1 248.370 1.882 10 0 BDAEMP Cc1n[nH]cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000038011321 188115667 /nfs/dbraw/zinc/11/56/67/188115667.db2.gz TWXZDQSJPPEGFW-JQWIXIFHSA-N 2 1 236.363 1.538 10 0 BDAEMP Cc1n[nH]cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000038011321 188115668 /nfs/dbraw/zinc/11/56/68/188115668.db2.gz TWXZDQSJPPEGFW-JQWIXIFHSA-N 2 1 236.363 1.538 10 0 BDAEMP CC(C)[N@@H+](C)CCCCN1CCC[NH2+]CC1 ZINC000041680492 188119419 /nfs/dbraw/zinc/11/94/19/188119419.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 2 1 227.396 1.402 10 0 BDAEMP CC(C)[N@H+](C)CCCC[NH+]1CCC[NH2+]CC1 ZINC000041680492 188119420 /nfs/dbraw/zinc/11/94/20/188119420.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 3 1 227.396 1.402 10 0 BDAEMP CC(C)[N@@H+](C)CCCC[NH+]1CCC[NH2+]CC1 ZINC000041680492 188119421 /nfs/dbraw/zinc/11/94/21/188119421.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 3 1 227.396 1.402 10 0 BDAEMP CC(C)[NH+](C)CCCC[N@@H+]1CCC[NH2+]CC1 ZINC000041680492 188119422 /nfs/dbraw/zinc/11/94/22/188119422.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 3 1 227.396 1.402 10 0 BDAEMP CC(C)[NH+](C)CCCC[N@H+]1CCC[NH2+]CC1 ZINC000041680492 188119423 /nfs/dbraw/zinc/11/94/23/188119423.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 3 1 227.396 1.402 10 0 BDAEMP C[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@@H+](C)C2)nc1 ZINC000071191659 188130588 /nfs/dbraw/zinc/13/05/88/188130588.db2.gz DWBSTFGXUFNURC-ZDUSSCGKSA-N 2 1 248.374 1.189 10 0 BDAEMP C1C[C@H]2[C@@H](C1)[N@H+]1CC[NH2+]C[C@H]3CCC[C@@H]2[C@@H]31 ZINC000169315491 188161447 /nfs/dbraw/zinc/16/14/47/188161447.db2.gz QBXWFBUGZQGGDY-RKQHYHRCSA-N 2 1 220.360 1.859 10 0 BDAEMP C[C@H]1SCC[N@@H+](C(C)(C)C[NH3+])[C@@H]1C ZINC000132278654 353378356 /nfs/dbraw/zinc/37/83/56/353378356.db2.gz HQSOOBURSONAAK-RKDXNWHRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H]1SCC[N@H+](C(C)(C)C[NH3+])[C@@H]1C ZINC000132278654 353378358 /nfs/dbraw/zinc/37/83/58/353378358.db2.gz HQSOOBURSONAAK-RKDXNWHRSA-N 2 1 202.367 1.550 10 0 BDAEMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCOCC12CCC2 ZINC000335205995 355041542 /nfs/dbraw/zinc/04/15/42/355041542.db2.gz FXCGOLFGPNRXNC-LBPRGKRZSA-N 2 1 224.348 1.241 10 0 BDAEMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCOCC12CCC2 ZINC000335205995 355041545 /nfs/dbraw/zinc/04/15/45/355041545.db2.gz FXCGOLFGPNRXNC-LBPRGKRZSA-N 2 1 224.348 1.241 10 0 BDAEMP CC[N@@H+](CC(C)C)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052449760 538470541 /nfs/dbraw/zinc/47/05/41/538470541.db2.gz QHULBJHNKRIQSH-NEPJUHHUSA-N 2 1 214.353 1.471 10 0 BDAEMP Cc1cc(F)ccc1[C@@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000675056180 538477641 /nfs/dbraw/zinc/47/76/41/538477641.db2.gz LDLKJEYHKLFKTK-NWDGAFQWSA-N 2 1 208.280 1.538 10 0 BDAEMP CC1(CC2=C[C@H]([NH3+])C[NH2+]C2)CCOCC1 ZINC000675078451 538516541 /nfs/dbraw/zinc/51/65/41/538516541.db2.gz PUFHUBWDOKIDGI-NSHDSACASA-N 2 1 210.321 1.050 10 0 BDAEMP CC(C)[N@@H+](C)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080491 538519667 /nfs/dbraw/zinc/51/96/67/538519667.db2.gz RVBNTZBVYFGHSR-GHMZBOCLSA-N 2 1 212.337 1.223 10 0 BDAEMP [NH3+][C@H]1C[NH2+]CC[C@@H]1c1cc(F)ccc1F ZINC000113262603 538721783 /nfs/dbraw/zinc/72/17/83/538721783.db2.gz KHTNUQUUIXYWKJ-KCJUWKMLSA-N 2 1 212.243 1.369 10 0 BDAEMP CCOC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396540653 357481672 /nfs/dbraw/zinc/48/16/72/357481672.db2.gz AKZYWZJLUFVPMR-DCAQKATOSA-N 2 1 200.326 1.142 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCC[C@H](C)C1 ZINC000685950937 538894360 /nfs/dbraw/zinc/89/43/60/538894360.db2.gz IPOPEUXOCIBEIZ-WUHRBBMRSA-N 2 1 210.365 1.962 10 0 BDAEMP CC[C@@H]1C[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951178 538894530 /nfs/dbraw/zinc/89/45/30/538894530.db2.gz OUYJTOLOOPBFPT-XQHKEYJVSA-N 2 1 226.364 1.341 10 0 BDAEMP CC[C@@H]1C[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951178 538894532 /nfs/dbraw/zinc/89/45/32/538894532.db2.gz OUYJTOLOOPBFPT-XQHKEYJVSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)C1[N@H+]1CCCO[C@H](C)C1 ZINC000685951793 538894976 /nfs/dbraw/zinc/89/49/76/538894976.db2.gz YPAMEBWHTJDONY-SDDRHHMPSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CC[C@@H](F)C1 ZINC000685951445 538895364 /nfs/dbraw/zinc/89/53/64/538895364.db2.gz UPESPTKIXYWYQG-YTWAJWBKSA-N 2 1 200.301 1.274 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CC[C@@H](F)C1 ZINC000685951445 538895366 /nfs/dbraw/zinc/89/53/66/538895366.db2.gz UPESPTKIXYWYQG-YTWAJWBKSA-N 2 1 200.301 1.274 10 0 BDAEMP C(C[NH2+][C@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000168709667 134246700 /nfs/dbraw/zinc/24/67/00/134246700.db2.gz UNMJTTMUAHJRJD-ZDUSSCGKSA-N 3 1 225.380 1.204 10 0 BDAEMP C[C@@H]([NH3+])C[C@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000584781804 358177000 /nfs/dbraw/zinc/17/70/00/358177000.db2.gz QWHFQMRGALLIRN-SFYZADRCSA-N 2 1 219.292 1.496 10 0 BDAEMP C[N@@H+]1CCN2c3ccccc3C=[NH+]C[C@@H]2C1 ZINC000584651165 358306407 /nfs/dbraw/zinc/30/64/07/358306407.db2.gz DZPRYHHMJAWJQK-GFCCVEGCSA-N 2 1 215.300 1.240 10 0 BDAEMP C[N@H+]1CCN2c3ccccc3C=[NH+]C[C@@H]2C1 ZINC000584651165 358306409 /nfs/dbraw/zinc/30/64/09/358306409.db2.gz DZPRYHHMJAWJQK-GFCCVEGCSA-N 2 1 215.300 1.240 10 0 BDAEMP C[NH+](C)CCSCCSC[NH+](C)C ZINC000584643620 358328462 /nfs/dbraw/zinc/32/84/62/358328462.db2.gz RAXLXCREXNSUSD-UHFFFAOYSA-N 2 1 222.423 1.534 10 0 BDAEMP CC[N@H+]1CC[C@](C[NH3+])(c2ccccc2)C1 ZINC000584634016 358317648 /nfs/dbraw/zinc/31/76/48/358317648.db2.gz YEDZOISMUGLCHF-CYBMUJFWSA-N 2 1 204.317 1.609 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)O)C1 ZINC000578316276 366500258 /nfs/dbraw/zinc/50/02/58/366500258.db2.gz UYBGBUFJYHHTGK-LLVKDONJSA-N 2 1 214.353 1.079 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCS[C@H]2C)C1 ZINC000300352034 358970315 /nfs/dbraw/zinc/97/03/15/358970315.db2.gz GXTRRXANZGVJFB-MMWGEVLESA-N 2 1 214.378 1.550 10 0 BDAEMP C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578348081 366531218 /nfs/dbraw/zinc/53/12/18/366531218.db2.gz GSWCFEMLRNJRLZ-OLZOCXBDSA-N 3 1 239.407 1.448 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@@H+]1CCC[C@H]1C[NH3+] ZINC000306257674 359472662 /nfs/dbraw/zinc/47/26/62/359472662.db2.gz QNAHTWXQHBWLFW-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@H+]1CCC[C@H]1C[NH3+] ZINC000306257674 359472664 /nfs/dbraw/zinc/47/26/64/359472664.db2.gz QNAHTWXQHBWLFW-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1C1CC[NH2+]CC1 ZINC000069761006 360409141 /nfs/dbraw/zinc/40/91/41/360409141.db2.gz CGQSFQFNFIRIGT-SECBINFHSA-N 2 1 200.351 1.176 10 0 BDAEMP COC[C@@H](C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309470846 491149210 /nfs/dbraw/zinc/14/92/10/491149210.db2.gz QQVCCDYPHXHURV-QWRGUYRKSA-N 2 1 223.320 1.070 10 0 BDAEMP C[C@@H]([C@@H]1CC[NH2+]C1)[N@H+]1CCSC[C@H]1C ZINC000306577056 360465058 /nfs/dbraw/zinc/46/50/58/360465058.db2.gz KYWWXDRXWAVKOQ-OUAUKWLOSA-N 2 1 214.378 1.422 10 0 BDAEMP [NH3+]C1(CO)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000096895827 181332811 /nfs/dbraw/zinc/33/28/11/181332811.db2.gz RCTIFQNFVBPDRS-YIONKMFJSA-N 2 1 246.354 1.503 10 0 BDAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)[C@H](C)C(C)C ZINC000725272945 541340552 /nfs/dbraw/zinc/34/05/52/541340552.db2.gz UQACXGKLVBIZRV-SNVBAGLBSA-N 2 1 225.336 1.129 10 0 BDAEMP NC(=O)CC[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000036925694 181380003 /nfs/dbraw/zinc/38/00/03/181380003.db2.gz SFGHNEQHUNXQCU-UHFFFAOYSA-N 2 1 241.379 1.235 10 0 BDAEMP [NH3+]CCCNc1[nH+]ccc2ccccc21 ZINC000082765863 181384102 /nfs/dbraw/zinc/38/41/02/181384102.db2.gz WNUGQJAGOCCXMS-UHFFFAOYSA-N 2 1 201.273 1.996 10 0 BDAEMP [NH3+]CCCOC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000004110582 181384881 /nfs/dbraw/zinc/38/48/81/181384881.db2.gz IBGXCLWTIRDXIN-STQMWFEESA-N 2 1 226.364 1.616 10 0 BDAEMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cnn1C ZINC000168847084 365018486 /nfs/dbraw/zinc/01/84/86/365018486.db2.gz TXTSTPCJCKTJFC-JOYOIKCWSA-N 2 1 222.336 1.040 10 0 BDAEMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cnn1C ZINC000168847084 365018488 /nfs/dbraw/zinc/01/84/88/365018488.db2.gz TXTSTPCJCKTJFC-JOYOIKCWSA-N 2 1 222.336 1.040 10 0 BDAEMP [NH3+]CC[NH2+]Cc1cccc2cnccc21 ZINC000038337236 181397248 /nfs/dbraw/zinc/39/72/48/181397248.db2.gz YVVIHNCTCNPFJM-UHFFFAOYSA-N 2 1 201.273 1.283 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(C2CC2)c1 ZINC000685965918 541498127 /nfs/dbraw/zinc/49/81/27/541498127.db2.gz YTIANQNGSSCAPK-UONOGXRCSA-N 2 1 216.328 1.968 10 0 BDAEMP CC(C)COCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838667 369120248 /nfs/dbraw/zinc/12/02/48/369120248.db2.gz SMWIZYVRIVSOGD-RYUDHWBXSA-N 2 1 214.353 1.186 10 0 BDAEMP C[C@H]1SCC[N@@H+](CC2C[NH2+]C2)[C@@H]1C ZINC000132513573 371847437 /nfs/dbraw/zinc/84/74/37/371847437.db2.gz RTYGXWTZAGWPCR-RKDXNWHRSA-N 2 1 200.351 1.032 10 0 BDAEMP C[C@@H]1SCC[N@@H+](C2CC([NH3+])C2)[C@H]1C ZINC000132790863 371923611 /nfs/dbraw/zinc/92/36/11/371923611.db2.gz SEDJDUKQKPQYHK-DKEVHCRPSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@H](C[N@H+]1CCSC[C@@H]1C)[C@H](C)[NH3+] ZINC000228600394 372054930 /nfs/dbraw/zinc/05/49/30/372054930.db2.gz MCGVFZNMQLJIIE-UTLUCORTSA-N 2 1 202.367 1.407 10 0 BDAEMP CC1(C)CS[C@@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 ZINC000307655611 372136036 /nfs/dbraw/zinc/13/60/36/372136036.db2.gz XIMPMHRRTNVTKK-SCZZXKLOSA-N 2 1 200.351 1.427 10 0 BDAEMP CC1(C)CS[C@](C)([C@H]2CC[NH2+]C2)[NH2+]1 ZINC000307655612 372136498 /nfs/dbraw/zinc/13/64/98/372136498.db2.gz XIMPMHRRTNVTKK-WCBMZHEXSA-N 2 1 200.351 1.427 10 0 BDAEMP Cc1nocc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836798 372624313 /nfs/dbraw/zinc/62/43/13/372624313.db2.gz HBRXHNLQVOBOFE-SCZZXKLOSA-N 2 1 209.293 1.010 10 0 BDAEMP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836798 372624318 /nfs/dbraw/zinc/62/43/18/372624318.db2.gz HBRXHNLQVOBOFE-SCZZXKLOSA-N 2 1 209.293 1.010 10 0 BDAEMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1C[NH3+] ZINC000631836601 372625697 /nfs/dbraw/zinc/62/56/97/372625697.db2.gz CJXHFGCPMNXMFA-JQWIXIFHSA-N 2 1 210.365 1.949 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000631837790 372630248 /nfs/dbraw/zinc/63/02/48/372630248.db2.gz WYEZSTRLFDTPHY-MXWKQRLJSA-N 2 1 232.318 1.948 10 0 BDAEMP COc1ccccc1[C@@H]([NH3+])Cn1cc[nH+]c1C ZINC000038860306 372795345 /nfs/dbraw/zinc/79/53/45/372795345.db2.gz CGJUOFHEKORRGX-LBPRGKRZSA-N 2 1 231.299 1.900 10 0 BDAEMP OCC1([N@H+]2CCC[NH2+]CC2)CCCCCC1 ZINC000038117225 183037264 /nfs/dbraw/zinc/03/72/64/183037264.db2.gz GTXXMHHDZIZVEE-UHFFFAOYSA-N 2 1 226.364 1.367 10 0 BDAEMP CCC[N@H+](CCC[NH3+])CC(=O)NC(C)(C)CC ZINC000049281630 169155787 /nfs/dbraw/zinc/15/57/87/169155787.db2.gz RNMMCTRKJATTKR-UHFFFAOYSA-N 2 1 243.395 1.352 10 0 BDAEMP CCC[N@@H+](CCC[NH3+])CC(=O)NC(C)(C)CC ZINC000049281630 169155788 /nfs/dbraw/zinc/15/57/88/169155788.db2.gz RNMMCTRKJATTKR-UHFFFAOYSA-N 2 1 243.395 1.352 10 0 BDAEMP CCC[N@@H+]1CCc2nc([C@@H](C)[NH3+])sc2C1 ZINC000041059176 169208417 /nfs/dbraw/zinc/20/84/17/169208417.db2.gz ROWFUNYUPVLIMI-MRVPVSSYSA-N 2 1 225.361 1.931 10 0 BDAEMP CCC[N@H+]1CCc2nc([C@@H](C)[NH3+])sc2C1 ZINC000041059176 169208418 /nfs/dbraw/zinc/20/84/18/169208418.db2.gz ROWFUNYUPVLIMI-MRVPVSSYSA-N 2 1 225.361 1.931 10 0 BDAEMP CCC[NH2+][C@@H](CC[N@H+](CC)[C@@H](C)CC)C(N)=O ZINC000062446497 169278000 /nfs/dbraw/zinc/27/80/00/169278000.db2.gz ODHWEPLWJOEDEX-RYUDHWBXSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[NH2+][C@@H](CC[N@@H+](CC)[C@@H](C)CC)C(N)=O ZINC000062446497 169278002 /nfs/dbraw/zinc/27/80/02/169278002.db2.gz ODHWEPLWJOEDEX-RYUDHWBXSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+]1CCCOCC1 ZINC000061934635 169282011 /nfs/dbraw/zinc/28/20/11/169282011.db2.gz XZLMBVVIEXCTFJ-UONOGXRCSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000061712018 169282441 /nfs/dbraw/zinc/28/24/41/169282441.db2.gz ULFOZFICCKPZIP-HZSPNIEDSA-N 2 1 240.391 1.611 10 0 BDAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCCOCC1 ZINC000061934636 169291831 /nfs/dbraw/zinc/29/18/31/169291831.db2.gz XZLMBVVIEXCTFJ-KBPBESRZSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)CCC[NH3+] ZINC000034960306 169368674 /nfs/dbraw/zinc/36/86/74/169368674.db2.gz VNOMUCMFNDXWQR-NEPJUHHUSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CC)CCC[NH3+] ZINC000034960306 169368675 /nfs/dbraw/zinc/36/86/75/169368675.db2.gz VNOMUCMFNDXWQR-NEPJUHHUSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371480876 169371254 /nfs/dbraw/zinc/37/12/54/169371254.db2.gz RRLULBBKXOAGGM-GHMZBOCLSA-N 2 1 207.321 1.976 10 0 BDAEMP CO[C@H](C)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000182066287 134341267 /nfs/dbraw/zinc/34/12/67/134341267.db2.gz JMPOHLVHHJBHGT-GFCCVEGCSA-N 2 1 226.364 1.582 10 0 BDAEMP COC1(C(F)(F)F)CC[NH+](CCC[NH3+])CC1 ZINC000409434876 383838910 /nfs/dbraw/zinc/83/89/10/383838910.db2.gz QZVACZSMLNRRCB-UHFFFAOYSA-N 2 1 240.269 1.379 10 0 BDAEMP C[C@@H](CC1CC1)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371480400 383831064 /nfs/dbraw/zinc/83/10/64/383831064.db2.gz NYYQZHWFKMIFHU-JQWIXIFHSA-N 2 1 219.332 1.976 10 0 BDAEMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000095072283 384342776 /nfs/dbraw/zinc/34/27/76/384342776.db2.gz UHLNJSKGNKUQNR-NWDGAFQWSA-N 2 1 205.305 1.441 10 0 BDAEMP Cn1nccc1[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1C1CC1 ZINC000159907716 384369287 /nfs/dbraw/zinc/36/92/87/384369287.db2.gz CLQJJIMBCJTEAB-ZWNOBZJWSA-N 2 1 234.347 1.294 10 0 BDAEMP Cn1nccc1[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CC1 ZINC000159907716 384369294 /nfs/dbraw/zinc/36/92/94/384369294.db2.gz CLQJJIMBCJTEAB-ZWNOBZJWSA-N 2 1 234.347 1.294 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]C1CCCC1)C2 ZINC000377496451 385074677 /nfs/dbraw/zinc/07/46/77/385074677.db2.gz MBULKGPJNKGBSL-NSHDSACASA-N 2 1 205.305 1.730 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@H+]([C@@H]2CCSC2)C1 ZINC000044527811 385308858 /nfs/dbraw/zinc/30/88/58/385308858.db2.gz PAIBBRIUDWCNKT-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP CCOC[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000409428959 385328727 /nfs/dbraw/zinc/32/87/27/385328727.db2.gz NKLIPFPYZMEGRL-GFCCVEGCSA-N 2 1 212.337 1.239 10 0 BDAEMP CC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[C@H]1[NH3+] ZINC000643033505 385535311 /nfs/dbraw/zinc/53/53/11/385535311.db2.gz ODFACMCWKKFNKL-GXSJLCMTSA-N 2 1 245.330 1.522 10 0 BDAEMP FC1(F)CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000307152727 385662133 /nfs/dbraw/zinc/66/21/33/385662133.db2.gz AMKDIYGKYKBDCE-DTWKUNHWSA-N 2 1 204.264 1.373 10 0 BDAEMP [NH3+]Cc1ccoc1C[NH+]1CCSCC1 ZINC000052425562 385733576 /nfs/dbraw/zinc/73/35/76/385733576.db2.gz PFJWCTUBONZKCL-UHFFFAOYSA-N 2 1 212.318 1.287 10 0 BDAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)CS1 ZINC000575535468 385905577 /nfs/dbraw/zinc/90/55/77/385905577.db2.gz VPZCFIIILCTJSJ-BBBLOLIVSA-N 2 1 200.351 1.222 10 0 BDAEMP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000335035750 385926735 /nfs/dbraw/zinc/92/67/35/385926735.db2.gz YPWLDECCPYKRAI-DTWKUNHWSA-N 2 1 204.264 1.516 10 0 BDAEMP Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC000310404977 386178230 /nfs/dbraw/zinc/17/82/30/386178230.db2.gz VLPDMOPOGODREG-NOZJJQNGSA-N 2 1 234.347 1.515 10 0 BDAEMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396599999 386784310 /nfs/dbraw/zinc/78/43/10/386784310.db2.gz MVZUKEXAFHFCGR-RHYQMDGZSA-N 2 1 212.337 1.142 10 0 BDAEMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396599997 386786045 /nfs/dbraw/zinc/78/60/45/386786045.db2.gz MVZUKEXAFHFCGR-NOOOWODRSA-N 2 1 212.337 1.142 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000053201876 387019603 /nfs/dbraw/zinc/01/96/03/387019603.db2.gz RDQWETJOYQUXHQ-SNVBAGLBSA-N 2 1 214.378 1.566 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000053201876 387019606 /nfs/dbraw/zinc/01/96/06/387019606.db2.gz RDQWETJOYQUXHQ-SNVBAGLBSA-N 2 1 214.378 1.566 10 0 BDAEMP OCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000423004277 387825684 /nfs/dbraw/zinc/82/56/84/387825684.db2.gz JKRXGVROZMKVLR-QWHCGFSZSA-N 2 1 226.364 1.269 10 0 BDAEMP Cc1cccnc1CCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000423158738 387939472 /nfs/dbraw/zinc/93/94/72/387939472.db2.gz XDMUFLBLZZCSTQ-GFCCVEGCSA-N 2 1 219.332 1.274 10 0 BDAEMP COCC[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336661363 388101906 /nfs/dbraw/zinc/10/19/06/388101906.db2.gz CBUSRTOBUSMZQS-YFKTTZPYSA-N 2 1 212.337 1.081 10 0 BDAEMP CC1(C)C[NH+](C[C@H]2C[NH2+]CCS2)C1 ZINC000575522787 388358836 /nfs/dbraw/zinc/35/88/36/388358836.db2.gz RUQJVQQKMQWVGX-SECBINFHSA-N 2 1 200.351 1.033 10 0 BDAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CCC=C(Br)C2)C1 ZINC000575482196 388863858 /nfs/dbraw/zinc/86/38/58/388863858.db2.gz FATUMCOIPWYBPY-CZMCAQCFSA-N 2 1 245.164 1.708 10 0 BDAEMP CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566089448 388986647 /nfs/dbraw/zinc/98/66/47/388986647.db2.gz WYAWUVZXKGHEOI-BFHYXJOUSA-N 2 1 239.407 1.306 10 0 BDAEMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566089448 388986654 /nfs/dbraw/zinc/98/66/54/388986654.db2.gz WYAWUVZXKGHEOI-BFHYXJOUSA-N 3 1 239.407 1.306 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566089448 388986657 /nfs/dbraw/zinc/98/66/57/388986657.db2.gz WYAWUVZXKGHEOI-BFHYXJOUSA-N 3 1 239.407 1.306 10 0 BDAEMP C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000400353396 533459856 /nfs/dbraw/zinc/45/98/56/533459856.db2.gz AGGBTMAKVHBFHQ-MNOVXSKESA-N 2 1 222.307 1.913 10 0 BDAEMP CC[NH2+]CC[NH2+]CC1(CC)CCOCC1 ZINC000261534883 535476790 /nfs/dbraw/zinc/47/67/90/535476790.db2.gz NHOURCFLKCTBQW-UHFFFAOYSA-N 2 1 214.353 1.392 10 0 BDAEMP C[NH+](C)CCC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000250342825 135090935 /nfs/dbraw/zinc/09/09/35/135090935.db2.gz DLQDDIJWNPFESR-CHWSQXEVSA-N 2 1 228.380 1.421 10 0 BDAEMP O[C@@H]1CC[C@H]2C[N@@H+](CCC[NH+]3CCCC3)C[C@H]12 ZINC000252857407 135113865 /nfs/dbraw/zinc/11/38/65/135113865.db2.gz IJRSMFUJKWIHKZ-MELADBBJSA-N 2 1 238.375 1.175 10 0 BDAEMP Cc1cnn(CC[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261555278 135195544 /nfs/dbraw/zinc/19/55/44/135195544.db2.gz PSALJNNXRTZPFT-GFCCVEGCSA-N 2 1 236.363 1.251 10 0 BDAEMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000261690482 135246017 /nfs/dbraw/zinc/24/60/17/135246017.db2.gz KSHBJUVYLVGDEF-CYBMUJFWSA-N 3 1 239.407 1.435 10 0 BDAEMP CC1(C)CN(CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000261690482 135246018 /nfs/dbraw/zinc/24/60/18/135246018.db2.gz KSHBJUVYLVGDEF-CYBMUJFWSA-N 2 1 239.407 1.435 10 0 BDAEMP C(CC1CC1)[NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261873317 135259015 /nfs/dbraw/zinc/25/90/15/135259015.db2.gz DKHDHUPQHNHGDO-IHRRRGAJSA-N 2 1 238.375 1.533 10 0 BDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC000262191661 135284556 /nfs/dbraw/zinc/28/45/56/135284556.db2.gz YRNRDMVSOLSFLD-YPMHNXCESA-N 2 1 246.310 1.103 10 0 BDAEMP NCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000262964300 135324742 /nfs/dbraw/zinc/32/47/42/135324742.db2.gz LAKYMPCIIAQXNP-ZIAGYGMSSA-N 2 1 234.343 1.533 10 0 BDAEMP C[N@@H+](CCN[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000307243115 397991563 /nfs/dbraw/zinc/99/15/63/397991563.db2.gz SPZQVFKSTKSYNM-CQSZACIVSA-N 2 1 233.359 1.070 10 0 BDAEMP CC(C)CCNC(=O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557074 166844767 /nfs/dbraw/zinc/84/47/67/166844767.db2.gz CVVRGMMGKAZPRW-GFCCVEGCSA-N 2 1 243.395 1.079 10 0 BDAEMP Cc1cc(N[C@H](CC[NH3+])C(F)F)nc(C)[nH+]1 ZINC000394776160 410821037 /nfs/dbraw/zinc/82/10/37/410821037.db2.gz HUXNNDQFCPSECH-MRVPVSSYSA-N 2 1 230.262 1.488 10 0 BDAEMP CC(C)[NH2+]CC1CCN(c2[nH+]ccn2C)CC1 ZINC000053664744 167099605 /nfs/dbraw/zinc/09/96/05/167099605.db2.gz TUQMRIVWSFMMKG-UHFFFAOYSA-N 2 1 236.363 1.635 10 0 BDAEMP CC(C)[NH2+]CCCCC[N@H+]1CCCN(C)CC1 ZINC000052424329 167101559 /nfs/dbraw/zinc/10/15/59/167101559.db2.gz QHZYDOGZMSPJSA-UHFFFAOYSA-N 2 1 241.423 1.792 10 0 BDAEMP CC(C)[NH2+]CCN1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000309648512 167107437 /nfs/dbraw/zinc/10/74/37/167107437.db2.gz WVQZCECUSKYITG-CHWSQXEVSA-N 2 1 225.380 1.010 10 0 BDAEMP CC(C)OCC[N@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000062614058 167232277 /nfs/dbraw/zinc/23/22/77/167232277.db2.gz WZQCAJLJLWMIMZ-ZDUSSCGKSA-N 2 1 228.380 1.731 10 0 BDAEMP OCC[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000657944067 411177084 /nfs/dbraw/zinc/17/70/84/411177084.db2.gz YDCQFGRQCGRQJM-CYBMUJFWSA-N 2 1 238.375 1.365 10 0 BDAEMP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@@H]1CCCO1 ZINC000401712673 411299397 /nfs/dbraw/zinc/29/93/97/411299397.db2.gz FNANWURRNNPLCP-QCNOEVLYSA-N 2 1 212.337 1.142 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@H]21 ZINC000656699948 411323925 /nfs/dbraw/zinc/32/39/25/411323925.db2.gz OGDVKZHMCRATDR-AVGNSLFASA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]21 ZINC000656699948 411323926 /nfs/dbraw/zinc/32/39/26/411323926.db2.gz OGDVKZHMCRATDR-AVGNSLFASA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]21 ZINC000656699948 411323927 /nfs/dbraw/zinc/32/39/27/411323927.db2.gz OGDVKZHMCRATDR-AVGNSLFASA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000656699948 411323928 /nfs/dbraw/zinc/32/39/28/411323928.db2.gz OGDVKZHMCRATDR-AVGNSLFASA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000656699948 411323930 /nfs/dbraw/zinc/32/39/30/411323930.db2.gz OGDVKZHMCRATDR-AVGNSLFASA-N 2 1 226.364 1.172 10 0 BDAEMP CCn1cccc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000091025359 170016794 /nfs/dbraw/zinc/01/67/94/170016794.db2.gz FECPUASUFILIFN-CYBMUJFWSA-N 2 1 235.375 1.939 10 0 BDAEMP CC[NH2+]C1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040715850 170109223 /nfs/dbraw/zinc/10/92/23/170109223.db2.gz ILZKWBHEFLEALA-CYBMUJFWSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[NH2+]C[C@H](C)C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453090 170121807 /nfs/dbraw/zinc/12/18/07/170121807.db2.gz JOHYVQVDELAIGX-WDEREUQCSA-N 2 1 216.394 1.669 10 0 BDAEMP CC[NH2+][C@@H](CC[N@H+]1CCC[C@H](O)C1)C(C)(C)C ZINC000054029265 170145144 /nfs/dbraw/zinc/14/51/44/170145144.db2.gz TVIGWXDLCNTALF-STQMWFEESA-N 2 1 242.407 1.857 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1CCOC(C)(C)C1 ZINC000053868236 170150875 /nfs/dbraw/zinc/15/08/75/170150875.db2.gz WPHGTBHOSBYXEQ-CHWSQXEVSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1CCOC(C)(C)C1 ZINC000053868236 170150877 /nfs/dbraw/zinc/15/08/77/170150877.db2.gz WPHGTBHOSBYXEQ-CHWSQXEVSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[NH2+][C@H](C)C[N@H+](C)C1CCOCC1 ZINC000043898425 170156733 /nfs/dbraw/zinc/15/67/33/170156733.db2.gz ONBFTJDWXZDVRX-SNVBAGLBSA-N 2 1 200.326 1.095 10 0 BDAEMP CC[NH2+][C@H](C)C[N@@H+](C)C1CCOCC1 ZINC000043898425 170156734 /nfs/dbraw/zinc/15/67/34/170156734.db2.gz ONBFTJDWXZDVRX-SNVBAGLBSA-N 2 1 200.326 1.095 10 0 BDAEMP CC[NH2+][C@H](C)[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940534 170158723 /nfs/dbraw/zinc/15/87/23/170158723.db2.gz NLXKLYGMYQMCPH-MGPQQGTHSA-N 2 1 239.407 1.543 10 0 BDAEMP CCOC1CC[NH+]([C@@H](C)[C@H](C)[NH3+])CC1 ZINC000041053898 170332462 /nfs/dbraw/zinc/33/24/62/170332462.db2.gz DDHAWXMFYUOUNI-UWVGGRQHSA-N 2 1 200.326 1.223 10 0 BDAEMP CCOCCC[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000076519211 170380245 /nfs/dbraw/zinc/38/02/45/170380245.db2.gz MAZRGEDJWSHVIH-CYBMUJFWSA-N 2 1 228.380 1.733 10 0 BDAEMP CC[C@@H]1CC[N@H+](CCc2ccco2)CC[NH2+]1 ZINC000049662432 171010561 /nfs/dbraw/zinc/01/05/61/171010561.db2.gz QRHHGNBJIAUZTN-GFCCVEGCSA-N 2 1 222.332 1.896 10 0 BDAEMP CC[C@@H]1CC[N@@H+](CCc2ccco2)CC[NH2+]1 ZINC000049662432 171010562 /nfs/dbraw/zinc/01/05/62/171010562.db2.gz QRHHGNBJIAUZTN-GFCCVEGCSA-N 2 1 222.332 1.896 10 0 BDAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CCC[NH2+]1 ZINC000061148133 171012836 /nfs/dbraw/zinc/01/28/36/171012836.db2.gz QQHQVTDREPWTOM-QWHCGFSZSA-N 2 1 226.364 1.487 10 0 BDAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](CCO)C(C)C)C1 ZINC000042478617 171040600 /nfs/dbraw/zinc/04/06/00/171040600.db2.gz ICKXPBPORULOOJ-HZSPNIEDSA-N 2 1 242.407 1.843 10 0 BDAEMP CC[C@@H]1CN([C@@H](C)C[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000104126308 171093926 /nfs/dbraw/zinc/09/39/26/171093926.db2.gz UUVBPVKZLHTOKT-QWHCGFSZSA-N 2 1 241.423 1.789 10 0 BDAEMP CC[C@H](C)[N@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000034679640 171319774 /nfs/dbraw/zinc/31/97/74/171319774.db2.gz ABJCGVYHIYBOEF-UWVGGRQHSA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@H](C)[C@H](CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042391927 171391950 /nfs/dbraw/zinc/39/19/50/171391950.db2.gz TULZJQWXSLQOKV-JSGCOSHPSA-N 2 1 241.423 1.633 10 0 BDAEMP CCc1[nH+]ccn1Cc1ccoc1C[NH3+] ZINC000052592982 172026901 /nfs/dbraw/zinc/02/69/01/172026901.db2.gz JFMVBWDHFKWBRP-UHFFFAOYSA-N 2 1 205.261 1.546 10 0 BDAEMP CCc1[nH+]ccn1Cc1cccc(C[NH3+])c1 ZINC000042419609 172028432 /nfs/dbraw/zinc/02/84/32/172028432.db2.gz CYNBMWPNCMGDJM-UHFFFAOYSA-N 2 1 215.300 1.953 10 0 BDAEMP CN(CCC[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000034689382 172706765 /nfs/dbraw/zinc/70/67/65/172706765.db2.gz APUHSUVFVRDLHI-CQSZACIVSA-N 2 1 247.386 1.794 10 0 BDAEMP C[N@H+]1CCCN(CC2(C[NH3+])CCCC2)CC1 ZINC000051213742 173014910 /nfs/dbraw/zinc/01/49/10/173014910.db2.gz XONBYTZASNQYIO-UHFFFAOYSA-N 2 1 225.380 1.143 10 0 BDAEMP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245399 173044333 /nfs/dbraw/zinc/04/43/33/173044333.db2.gz MAFZPBWXXHMEKU-OLZOCXBDSA-N 2 1 225.380 1.012 10 0 BDAEMP C[N@H+]1CCN([C@@H](C[NH3+])c2ccoc2)CC1(C)C ZINC000104142835 173092860 /nfs/dbraw/zinc/09/28/60/173092860.db2.gz CTTXQKJMKHXKDV-LBPRGKRZSA-N 2 1 237.347 1.305 10 0 BDAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])C1CCCC1 ZINC000071188367 173113081 /nfs/dbraw/zinc/11/30/81/173113081.db2.gz FAKXZEFAZHFVII-OCCSQVGLSA-N 2 1 239.407 1.387 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000037894275 173115763 /nfs/dbraw/zinc/11/57/63/173115763.db2.gz MBIOBTVCXFTHJE-ZDUSSCGKSA-N 2 1 240.391 1.613 10 0 BDAEMP C[N@H+]1CC[C@@H](CNC2=[NH+]CCCS2)C1 ZINC000037485224 173116293 /nfs/dbraw/zinc/11/62/93/173116293.db2.gz UHTGQBXCGVBGDT-VIFPVBQESA-N 2 1 213.350 1.021 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000037484581 173147385 /nfs/dbraw/zinc/14/73/85/173147385.db2.gz NAKWAEXAEZIFHO-GFCCVEGCSA-N 2 1 222.307 1.867 10 0 BDAEMP CN1CC[C@H]([NH3+])[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000058081889 173148379 /nfs/dbraw/zinc/14/83/79/173148379.db2.gz PZNCCKNONWHSRL-GJZGRUSLSA-N 2 1 247.386 1.397 10 0 BDAEMP CN(Cc1ccccc1)C[C@@H]1C[N@H+](C)CC[C@@H]1[NH3+] ZINC000058081889 173148381 /nfs/dbraw/zinc/14/83/81/173148381.db2.gz PZNCCKNONWHSRL-GJZGRUSLSA-N 2 1 247.386 1.397 10 0 BDAEMP CN(Cc1ccccc1)C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH3+] ZINC000058081889 173148382 /nfs/dbraw/zinc/14/83/82/173148382.db2.gz PZNCCKNONWHSRL-GJZGRUSLSA-N 2 1 247.386 1.397 10 0 BDAEMP CN(C)c1cc[nH+]cc1N[C@H]1CC[N@@H+](C)C1 ZINC000061985081 173155797 /nfs/dbraw/zinc/15/57/97/173155797.db2.gz RBKKPSMIBQGNMI-JTQLQIEISA-N 2 1 220.320 1.264 10 0 BDAEMP C[N@H+]1C[C@@H]2C[C@]2(c2ccc(C[NH3+])cc2)C1 ZINC000034894329 173189379 /nfs/dbraw/zinc/18/93/79/173189379.db2.gz PSKOEGJEINUYCI-QWHCGFSZSA-N 2 1 202.301 1.348 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCCCO1)C2 ZINC000042814708 173207216 /nfs/dbraw/zinc/20/72/16/173207216.db2.gz RWSTUJCCYRSBHP-GSPSYOTPSA-N 2 1 238.375 1.770 10 0 BDAEMP C[NH2+]C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000052096758 173323002 /nfs/dbraw/zinc/32/30/02/173323002.db2.gz CNSDFBRWRFZVCX-HNNXBMFYSA-N 2 1 248.370 1.578 10 0 BDAEMP C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccco2)CC1 ZINC000042590189 173324089 /nfs/dbraw/zinc/32/40/89/173324089.db2.gz JIFSTSIOJBEONV-NSHDSACASA-N 2 1 222.332 1.894 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCO1 ZINC000054629392 173324262 /nfs/dbraw/zinc/32/42/62/173324262.db2.gz FOLMCFWFEHASIQ-GSPSYOTPSA-N 2 1 238.375 1.770 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1ccnc1 ZINC000054627896 173324559 /nfs/dbraw/zinc/32/45/59/173324559.db2.gz XJOQITNBTLGNQE-AGUYFDCRSA-N 2 1 248.374 1.488 10 0 BDAEMP C[NH2+]CC(C)(C)C[N@@H+](C)CCc1ccncc1 ZINC000051249015 173336801 /nfs/dbraw/zinc/33/68/01/173336801.db2.gz NYRHAYXQHKRMIG-UHFFFAOYSA-N 2 1 235.375 1.802 10 0 BDAEMP C[NH2+]CCC[C@H](C)[N@@H+](CCCOC)CCOC ZINC000052543274 173350413 /nfs/dbraw/zinc/35/04/13/173350413.db2.gz OQMMIHYHWLWTDY-ZDUSSCGKSA-N 2 1 246.395 1.359 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@@H+](C)[C@H](C)CC(C)C)CCOC1 ZINC000051258510 173373048 /nfs/dbraw/zinc/37/30/48/173373048.db2.gz VVIWTGVEEVXYGQ-ZIAGYGMSSA-N 2 1 242.407 1.979 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000040591966 173379286 /nfs/dbraw/zinc/37/92/86/173379286.db2.gz LEAGBAXXJDCKLK-LLVKDONJSA-N 2 1 208.305 1.711 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000040591966 173379288 /nfs/dbraw/zinc/37/92/88/173379288.db2.gz LEAGBAXXJDCKLK-LLVKDONJSA-N 2 1 208.305 1.711 10 0 BDAEMP C[NH2+]C[C@H]1C[N@@H+](C2CCCCCC2)CCO1 ZINC000071532961 173382715 /nfs/dbraw/zinc/38/27/15/173382715.db2.gz QYXILABFVYLXDL-ZDUSSCGKSA-N 2 1 226.364 1.629 10 0 BDAEMP C[NH2+]C[C@H]1C[N@H+](C2CCCCCC2)CCO1 ZINC000071532961 173382717 /nfs/dbraw/zinc/38/27/17/173382717.db2.gz QYXILABFVYLXDL-ZDUSSCGKSA-N 2 1 226.364 1.629 10 0 BDAEMP C[NH2+]Cc1ccc(OCCn2cc[nH+]c2C)cc1 ZINC000049329392 173388598 /nfs/dbraw/zinc/38/85/98/173388598.db2.gz YDVPEVIIUFILBN-UHFFFAOYSA-N 2 1 245.326 1.990 10 0 BDAEMP C[NH2+]Cc1coc(CN2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000104131293 173393306 /nfs/dbraw/zinc/39/33/06/173393306.db2.gz ZAGCGLNKESSDHJ-NSHDSACASA-N 2 1 237.347 1.135 10 0 BDAEMP C[NH2+]Cc1occc1C[N@H+]1CCC[C@@H]1C ZINC000052375791 173399621 /nfs/dbraw/zinc/39/96/21/173399621.db2.gz IEAFWUURWFORSB-JTQLQIEISA-N 2 1 208.305 1.983 10 0 BDAEMP COC1CC[NH+](C[C@@H]([NH3+])C(C)C)CC1 ZINC000037266508 174028847 /nfs/dbraw/zinc/02/88/47/174028847.db2.gz VQJDCTWNZFKSTP-LLVKDONJSA-N 2 1 200.326 1.081 10 0 BDAEMP COCC[N@@H+](C)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000051258776 174278507 /nfs/dbraw/zinc/27/85/07/174278507.db2.gz XEDPNDOKSIZJPL-CQSZACIVSA-N 2 1 236.359 1.481 10 0 BDAEMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)C1CC1 ZINC000062911985 174297781 /nfs/dbraw/zinc/29/77/81/174297781.db2.gz HNTDKAHWEOYNMD-GXTWGEPZSA-N 2 1 240.391 1.733 10 0 BDAEMP COc1ccc2[nH]cc(C[NH2+]CC[NH3+])c2c1 ZINC000253565568 175202866 /nfs/dbraw/zinc/20/28/66/175202866.db2.gz HWQZOPKXUWYHSD-UHFFFAOYSA-N 2 1 219.288 1.225 10 0 BDAEMP COc1ccccc1CC[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000071563468 175322563 /nfs/dbraw/zinc/32/25/63/175322563.db2.gz VUHIKFDHCQQZKT-ZDUSSCGKSA-N 2 1 248.370 1.779 10 0 BDAEMP COc1ccccc1CC[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000071563468 175322565 /nfs/dbraw/zinc/32/25/65/175322565.db2.gz VUHIKFDHCQQZKT-ZDUSSCGKSA-N 2 1 248.370 1.779 10 0 BDAEMP COc1ccccc1C[NH+]1CCC[NH2+]CCC1 ZINC000049663987 175327962 /nfs/dbraw/zinc/32/79/62/175327962.db2.gz UGJSGZGJUQVDCS-UHFFFAOYSA-N 2 1 234.343 1.881 10 0 BDAEMP C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000037910037 176109054 /nfs/dbraw/zinc/10/90/54/176109054.db2.gz SURUVCPFRIKIIZ-LLVKDONJSA-N 2 1 247.342 1.568 10 0 BDAEMP C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C[NH3+] ZINC000037910047 176109151 /nfs/dbraw/zinc/10/91/51/176109151.db2.gz JPXAHZXDMKRANP-LLVKDONJSA-N 2 1 247.342 1.568 10 0 BDAEMP C[C@@H]1CCC[N@@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000061590095 176111419 /nfs/dbraw/zinc/11/14/19/176111419.db2.gz JEUHZEMNUUGWGO-MNOVXSKESA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@@H]1CCC[N@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000061590095 176111420 /nfs/dbraw/zinc/11/14/20/176111420.db2.gz JEUHZEMNUUGWGO-MNOVXSKESA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)C1 ZINC000052484642 176171943 /nfs/dbraw/zinc/17/19/43/176171943.db2.gz MSOHDFGMSNMVSP-BNOWGMLFSA-N 2 1 238.375 1.628 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000044982832 176172994 /nfs/dbraw/zinc/17/29/94/176172994.db2.gz YXCFYYJLHWPCNU-OLZOCXBDSA-N 2 1 226.364 1.487 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CC1CCOCC1 ZINC000052173158 176224561 /nfs/dbraw/zinc/22/45/61/176224561.db2.gz FOCBECLADCKFDF-DGCLKSJQSA-N 2 1 226.364 1.472 10 0 BDAEMP C[C@@H]1CN(C(=[NH2+])Nc2ccccc2)CC[N@@H+]1C ZINC000104348326 176241107 /nfs/dbraw/zinc/24/11/07/176241107.db2.gz BFHOMXWSMDKYMO-LLVKDONJSA-N 2 1 232.331 1.669 10 0 BDAEMP C[C@@H]1CN(C(=[NH2+])Nc2ccccc2)CC[N@H+]1C ZINC000104348326 176241109 /nfs/dbraw/zinc/24/11/09/176241109.db2.gz BFHOMXWSMDKYMO-LLVKDONJSA-N 2 1 232.331 1.669 10 0 BDAEMP C[C@@H]1C[N@H+](C2CCC([NH3+])CC2)CCCO1 ZINC000061918725 176281894 /nfs/dbraw/zinc/28/18/94/176281894.db2.gz GUKOFJOCAGZOCM-VOMCLLRMSA-N 2 1 212.337 1.367 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])o2)CCCO1 ZINC000061935391 176303003 /nfs/dbraw/zinc/30/30/03/176303003.db2.gz JTCIICGNBRBQSW-SNVBAGLBSA-N 2 1 224.304 1.349 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@H+](Cc2ccncc2)C1 ZINC000049666620 176323941 /nfs/dbraw/zinc/32/39/41/176323941.db2.gz MZVOTMAUBREYNN-GFCCVEGCSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](Cc2ccncc2)C1 ZINC000049666620 176323943 /nfs/dbraw/zinc/32/39/43/176323943.db2.gz MZVOTMAUBREYNN-GFCCVEGCSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@@H]1C[NH+]=C(NCC[NH+]2CCCCC2)S1 ZINC000049575368 176324556 /nfs/dbraw/zinc/32/45/56/176324556.db2.gz KYBQQKIAMREWTA-SNVBAGLBSA-N 2 1 227.377 1.553 10 0 BDAEMP C[C@@H]1COCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000035774113 176337924 /nfs/dbraw/zinc/33/79/24/176337924.db2.gz WSJCLZCUZQHDEM-LLVKDONJSA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@@H]1COCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000035774113 176337925 /nfs/dbraw/zinc/33/79/25/176337925.db2.gz WSJCLZCUZQHDEM-LLVKDONJSA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@H](c1ccccn1)[NH+]1CCC[NH2+]CCC1 ZINC000049666690 177043818 /nfs/dbraw/zinc/04/38/18/177043818.db2.gz OBMHLXKZEVPQQO-GFCCVEGCSA-N 2 1 219.332 1.828 10 0 BDAEMP C[C@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020217745 177085253 /nfs/dbraw/zinc/08/52/53/177085253.db2.gz HKJGBXOBIKXYGI-KBPBESRZSA-N 2 1 239.407 1.532 10 0 BDAEMP C[C@H]1CC[N@H+](CCc2ccncc2)CC[NH2+]1 ZINC000049662230 177162239 /nfs/dbraw/zinc/16/22/39/177162239.db2.gz XQSNKBUOPSMMPJ-LBPRGKRZSA-N 2 1 219.332 1.308 10 0 BDAEMP C[C@H]1CC[N@@H+](CCc2ccncc2)CC[NH2+]1 ZINC000049662230 177162240 /nfs/dbraw/zinc/16/22/40/177162240.db2.gz XQSNKBUOPSMMPJ-LBPRGKRZSA-N 2 1 219.332 1.308 10 0 BDAEMP C[C@@H]1C[N@H+](CCCCC[NH3+])C[C@H](C)O1 ZINC000049580594 177247997 /nfs/dbraw/zinc/24/79/97/177247997.db2.gz CVTPSRHBNUNVFZ-PHIMTYICSA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@H]1C[N@@H+](CCc2ccncc2)CC[C@@H]1[NH3+] ZINC000049712954 177256471 /nfs/dbraw/zinc/25/64/71/177256471.db2.gz BQPLIKLYVZESOT-AAEUAGOBSA-N 2 1 219.332 1.293 10 0 BDAEMP C[C@H]1C[NH+]=C(NC[C@@H]2CC[N@@H+](C)C2)S1 ZINC000037485234 177281433 /nfs/dbraw/zinc/28/14/33/177281433.db2.gz XHRQKRWYRLLKGD-IUCAKERBSA-N 2 1 213.350 1.019 10 0 BDAEMP C[C@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050952657 177290837 /nfs/dbraw/zinc/29/08/37/177290837.db2.gz JCHWANPHKHJOPX-LBPRGKRZSA-N 2 1 226.364 1.487 10 0 BDAEMP C[C@H]1CSC(NC[C@@H]2CCC[N@@H+](C)C2)=[NH+]1 ZINC000044538328 177302873 /nfs/dbraw/zinc/30/28/73/177302873.db2.gz LHHKXIFFQPXGAT-UWVGGRQHSA-N 2 1 227.377 1.409 10 0 BDAEMP Cc1[nH+]c[nH]c1C[C@H]([NH3+])c1ccccc1 ZINC000054797628 177532742 /nfs/dbraw/zinc/53/27/42/177532742.db2.gz VGKFTPWOKKBIAB-NSHDSACASA-N 2 1 201.273 1.961 10 0 BDAEMP Cn1cncc1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000314898612 487670291 /nfs/dbraw/zinc/67/02/91/487670291.db2.gz NCYHVXMNLDCDRG-IACUBPJLSA-N 2 1 248.374 1.022 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000306919192 229397864 /nfs/dbraw/zinc/39/78/64/229397864.db2.gz AZQFZNSENGEMIW-LPEHRKFASA-N 2 1 214.378 1.611 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CCOCC1 ZINC000396571934 262806610 /nfs/dbraw/zinc/80/66/10/262806610.db2.gz AWSFAMYQHODNIJ-DMDPSCGWSA-N 2 1 226.364 1.532 10 0 BDAEMP C[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)[C@H]1C[NH3+] ZINC000252218841 487822940 /nfs/dbraw/zinc/82/29/40/487822940.db2.gz YMNFTKFQBOYRKO-MNOVXSKESA-N 2 1 249.362 1.106 10 0 BDAEMP C[C@@H]([NH3+])CC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666775533 487878253 /nfs/dbraw/zinc/87/82/53/487878253.db2.gz MCMCYRNGMSWKNZ-SECBINFHSA-N 2 1 239.388 1.849 10 0 BDAEMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000571669537 323177255 /nfs/dbraw/zinc/17/72/55/323177255.db2.gz VUZYGIJQSVIYCB-BFHYXJOUSA-N 2 1 239.407 1.306 10 0 BDAEMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000571669537 323177256 /nfs/dbraw/zinc/17/72/56/323177256.db2.gz VUZYGIJQSVIYCB-BFHYXJOUSA-N 3 1 239.407 1.306 10 0 BDAEMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000571669537 323177257 /nfs/dbraw/zinc/17/72/57/323177257.db2.gz VUZYGIJQSVIYCB-BFHYXJOUSA-N 3 1 239.407 1.306 10 0 BDAEMP CC[N@@H+]1CCC[C@@H](C[NH2+]C)[C@H]1c1cnn(C)c1 ZINC000250216205 324199434 /nfs/dbraw/zinc/19/94/34/324199434.db2.gz DFUPEVKUTOENMN-AAEUAGOBSA-N 2 1 236.363 1.413 10 0 BDAEMP CC[N@H+]1CCC[C@@H](C[NH2+]C)[C@H]1c1cnn(C)c1 ZINC000250216205 324199438 /nfs/dbraw/zinc/19/94/38/324199438.db2.gz DFUPEVKUTOENMN-AAEUAGOBSA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000310734551 487482869 /nfs/dbraw/zinc/48/28/69/487482869.db2.gz DEKXFUFRLPNPRQ-BZPMIXESSA-N 2 1 246.354 1.974 10 0 BDAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000310734551 487482872 /nfs/dbraw/zinc/48/28/72/487482872.db2.gz DEKXFUFRLPNPRQ-BZPMIXESSA-N 2 1 246.354 1.974 10 0 BDAEMP CCO[C@@H]1C[N@H+]([C@@H](C)C(C)C)C[C@H]1C[NH3+] ZINC000405320209 487480947 /nfs/dbraw/zinc/48/09/47/487480947.db2.gz YTVCFNLAIMOLGN-QJPTWQEYSA-N 2 1 214.353 1.327 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]12 ZINC000662266569 490042711 /nfs/dbraw/zinc/04/27/11/490042711.db2.gz NCDSOUXRSLDINL-YTWAJWBKSA-N 2 1 246.301 1.080 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC3CCC3)C[C@H]12 ZINC000398732789 488223617 /nfs/dbraw/zinc/22/36/17/488223617.db2.gz SXSIOKKNBZWESI-RWMBFGLXSA-N 2 1 208.349 1.846 10 0 BDAEMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227200715 490241472 /nfs/dbraw/zinc/24/14/72/490241472.db2.gz XNTOFBBFFAAPSX-YNEHKIRRSA-N 2 1 224.348 1.239 10 0 BDAEMP C([C@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227200715 490241473 /nfs/dbraw/zinc/24/14/73/490241473.db2.gz XNTOFBBFFAAPSX-YNEHKIRRSA-N 2 1 224.348 1.239 10 0 BDAEMP COCCC[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757125488 582500824 /nfs/dbraw/zinc/50/08/24/582500824.db2.gz DVLCYWIMVUZCGQ-QWHCGFSZSA-N 2 1 226.364 1.629 10 0 BDAEMP [NH3+]C[C@H]1C[C@H](c2cccc(C=O)c2)CC[NH2+]1 ZINC000757213643 582560574 /nfs/dbraw/zinc/56/05/74/582560574.db2.gz LHPJEQIZGJDZIB-CHWSQXEVSA-N 2 1 218.300 1.293 10 0 BDAEMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400390045 533856784 /nfs/dbraw/zinc/85/67/84/533856784.db2.gz ZLBPLWQDNQZXDC-KBPBESRZSA-N 2 1 239.407 1.306 10 0 BDAEMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400350994 528204445 /nfs/dbraw/zinc/20/44/45/528204445.db2.gz MPUWWYQRONRKPP-STQMWFEESA-N 3 1 239.407 1.448 10 0 BDAEMP COC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757125636 582500012 /nfs/dbraw/zinc/50/00/12/582500012.db2.gz FERQYMNDSKTXDE-AGIUHOORSA-N 2 1 226.364 1.485 10 0 BDAEMP [NH3+]C[C@@H]1CCN1c1cc[nH+]cc1Br ZINC000757146478 582530507 /nfs/dbraw/zinc/53/05/07/582530507.db2.gz NWJLCJGJDNHSAU-ZETCQYMHSA-N 2 1 242.120 1.382 10 0 BDAEMP CC(=O)c1cccc([C@@H]2CC[C@H](C[NH3+])[NH2+]C2)c1 ZINC000757212327 586439341 /nfs/dbraw/zinc/43/93/41/586439341.db2.gz ICMAVXGLQOLMFT-ZIAGYGMSSA-N 2 1 232.327 1.684 10 0 BDAEMP C[C@@H]1CC[C@@H](N)[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757218246 586441677 /nfs/dbraw/zinc/44/16/77/586441677.db2.gz UQSHEGCIWVNPGJ-OASPWFOLSA-N 2 1 219.332 1.286 10 0 BDAEMP CC(C)(C)n1cc([C@@H]2C[C@H]([NH3+])CC[NH2+]2)cn1 ZINC000757238555 586444066 /nfs/dbraw/zinc/44/40/66/586444066.db2.gz SSGNZIXWFJEPNP-MNOVXSKESA-N 2 1 222.336 1.390 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257722691 634481310 /nfs/dbraw/zinc/48/13/10/634481310.db2.gz VYBHJVZIKRYIIW-QWHCGFSZSA-N 2 1 224.348 1.241 10 0 BDAEMP C[N@@H+](C[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250377963 635467952 /nfs/dbraw/zinc/46/79/52/635467952.db2.gz IRFPNBAPLVTDPV-NWDGAFQWSA-N 2 1 212.337 1.239 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)c1cc[nH+]cc1CO ZINC000126535049 632123019 /nfs/dbraw/zinc/12/30/19/632123019.db2.gz DOPFUAXBDLDMQD-ZDUSSCGKSA-N 2 1 249.358 1.494 10 0 BDAEMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000309756798 632665970 /nfs/dbraw/zinc/66/59/70/632665970.db2.gz HTHUYEGNXSYXNT-IJLUTSLNSA-N 2 1 219.332 1.834 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C(C)(C)CO ZINC000052205521 632814992 /nfs/dbraw/zinc/81/49/92/632814992.db2.gz OCULTUAGFNMJRR-LLVKDONJSA-N 2 1 214.353 1.221 10 0 BDAEMP CC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]c(N)n2)C1 ZINC000108643901 636116646 /nfs/dbraw/zinc/11/66/46/636116646.db2.gz MWHHXDVXDOVXTI-JTQLQIEISA-N 2 1 235.335 1.263 10 0 BDAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000251654837 636762842 /nfs/dbraw/zinc/76/28/42/636762842.db2.gz GPMYQYDMYDTXTA-MCIONIFRSA-N 2 1 237.391 1.297 10 0 BDAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@@H]21 ZINC000164370537 640472503 /nfs/dbraw/zinc/47/25/03/640472503.db2.gz JSCQWLZBEPHUGC-MROQNXINSA-N 2 1 224.348 1.225 10 0 BDAEMP CC(C)(C)n1cc([C@@H]2C[NH2+]C[C@@H]([NH3+])C2)cn1 ZINC000757210062 643370589 /nfs/dbraw/zinc/37/05/89/643370589.db2.gz AESNXPVSRNLRSM-ONGXEEELSA-N 2 1 222.336 1.042 10 0 BDAEMP C[C@@H]1[NH2+][C@@H](c2cccc(N)c2)CC[C@H]1[NH3+] ZINC000757211080 643371817 /nfs/dbraw/zinc/37/18/17/643371817.db2.gz FTRVCMCNEZFCAU-XXILOJSOSA-N 2 1 205.305 1.409 10 0 BDAEMP COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cc[nH+]c1C ZINC000082800189 643526646 /nfs/dbraw/zinc/52/66/46/643526646.db2.gz KCEQRNYKPKXIKU-KCJUWKMLSA-N 2 1 225.292 1.033 10 0 BDAEMP CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000249811267 644742367 /nfs/dbraw/zinc/74/23/67/644742367.db2.gz HDJMCMXHXGGUQM-QWHCGFSZSA-N 2 1 226.364 1.629 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H]3CCCC[C@H]32)C1 ZINC000250889819 644785756 /nfs/dbraw/zinc/78/57/56/644785756.db2.gz XKKIOZKOSJJZMQ-DGAVXFQQSA-N 2 1 238.375 1.757 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000251680009 644816695 /nfs/dbraw/zinc/81/66/95/644816695.db2.gz VRYJPWNQEQQBLN-QJPTWQEYSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1N(C)C ZINC000251876852 644828166 /nfs/dbraw/zinc/82/81/66/644828166.db2.gz UMAAJOHJSSLERS-ZIAGYGMSSA-N 2 1 241.423 1.778 10 0 BDAEMP C[C@@H]1CN(CCCCCCC[NH3+])C[C@H]1[NH+](C)C ZINC000251876852 644828170 /nfs/dbraw/zinc/82/81/70/644828170.db2.gz UMAAJOHJSSLERS-ZIAGYGMSSA-N 2 1 241.423 1.778 10 0 BDAEMP Cc1[nH+]cc(-c2ccc(F)c(C[NH3+])c2)n1C ZINC000304344946 644893525 /nfs/dbraw/zinc/89/35/25/644893525.db2.gz BUGLYBPRDUJGKG-UHFFFAOYSA-N 2 1 219.263 1.993 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000708827629 712199953 /nfs/dbraw/zinc/19/99/53/712199953.db2.gz YEZSYQQOWMHHOP-XBFCOCLRSA-N 2 1 240.391 1.454 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@@H]1C[NH3+] ZINC000714321645 712482406 /nfs/dbraw/zinc/48/24/06/712482406.db2.gz VQDHJQSIGJEILB-FRRDWIJNSA-N 2 1 240.391 1.861 10 0 BDAEMP C[N@@H+](CCc1ccns1)[C@H]1CCC[NH2+]CC1 ZINC000719845091 712825687 /nfs/dbraw/zinc/82/56/87/712825687.db2.gz LRTRCVVGRPFXST-NSHDSACASA-N 2 1 239.388 1.760 10 0 BDAEMP Cc1cnc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000724073872 711559149 /nfs/dbraw/zinc/55/91/49/711559149.db2.gz QPTHYTNFYIKCEM-OLZOCXBDSA-N 2 1 233.359 1.786 10 0 BDAEMP [NH3+][C@@H](CC(F)F)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000310082252 711707934 /nfs/dbraw/zinc/70/79/34/711707934.db2.gz KIJGZKYHWGIFKV-WDEREUQCSA-N 2 1 247.333 1.139 10 0 BDAEMP COC[C@@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000721966226 711845491 /nfs/dbraw/zinc/84/54/91/711845491.db2.gz TVEGCTRRNHMGDE-ZIAGYGMSSA-N 2 1 242.407 1.979 10 0 BDAEMP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3CCC[C@H]3O)C[C@@]2(C)C1 ZINC000705672632 712135075 /nfs/dbraw/zinc/13/50/75/712135075.db2.gz UKXZTOHFZAZIEP-AAVRWANBSA-N 2 1 238.375 1.173 10 0 BDAEMP C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000709976742 712236817 /nfs/dbraw/zinc/23/68/17/712236817.db2.gz YDDZQIMKLHCLRF-AVGNSLFASA-N 2 1 208.349 1.860 10 0 BDAEMP C=C/C=C/CC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000713758220 712472034 /nfs/dbraw/zinc/47/20/34/712472034.db2.gz QDXQTAXUFOCJFO-FBVTZJDUSA-N 2 1 224.348 1.557 10 0 BDAEMP C=C/C=C/CC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000713758220 712472035 /nfs/dbraw/zinc/47/20/35/712472035.db2.gz QDXQTAXUFOCJFO-FBVTZJDUSA-N 2 1 224.348 1.557 10 0 BDAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955129 538900916 /nfs/dbraw/zinc/90/09/16/538900916.db2.gz UFHMYLPCBFVKRD-QNWHQSFQSA-N 2 1 226.364 1.754 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c(C)c1 ZINC000685965857 538912236 /nfs/dbraw/zinc/91/22/36/538912236.db2.gz WOMKRVJHPFUOEV-OLZOCXBDSA-N 2 1 220.316 1.408 10 0 BDAEMP CCc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685965631 538912611 /nfs/dbraw/zinc/91/26/11/538912611.db2.gz LZRLBOCEMINQDE-QWHCGFSZSA-N 2 1 204.317 1.653 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC000381043852 398252508 /nfs/dbraw/zinc/25/25/08/398252508.db2.gz CUGJXNQVHOKRKW-KKOKHZNYSA-N 2 1 219.332 1.832 10 0 BDAEMP CCC(CC)[N@H+](CCOC)[C@H]1COCC[C@@H]1[NH3+] ZINC000042616097 168375504 /nfs/dbraw/zinc/37/55/04/168375504.db2.gz IGJLLRRLISCDTI-STQMWFEESA-N 2 1 244.379 1.240 10 0 BDAEMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335517343 398290290 /nfs/dbraw/zinc/29/02/90/398290290.db2.gz JSVMOFIFOKYWDK-CHWSQXEVSA-N 3 1 225.380 1.201 10 0 BDAEMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000381263846 538997120 /nfs/dbraw/zinc/99/71/20/538997120.db2.gz SUKACZFRSNHCJZ-IJLUTSLNSA-N 2 1 219.332 1.976 10 0 BDAEMP C[N@H+]1CCC[C@]2(CC1)NCCc1occc12 ZINC000709974860 539027746 /nfs/dbraw/zinc/02/77/46/539027746.db2.gz FYTDNAMVLGKSRS-CYBMUJFWSA-N 2 1 220.316 1.736 10 0 BDAEMP NCC[N@@H+]1CCC[C@@H](c2ccccc2N)CC1 ZINC000616602238 398322377 /nfs/dbraw/zinc/32/23/77/398322377.db2.gz VQMCLEQJYPKUPW-GFCCVEGCSA-N 2 1 233.359 1.797 10 0 BDAEMP NCC[N@H+]1CCC[C@@H](c2ccccc2N)CC1 ZINC000616602238 398322378 /nfs/dbraw/zinc/32/23/78/398322378.db2.gz VQMCLEQJYPKUPW-GFCCVEGCSA-N 2 1 233.359 1.797 10 0 BDAEMP Nc1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616602238 398322380 /nfs/dbraw/zinc/32/23/80/398322380.db2.gz VQMCLEQJYPKUPW-GFCCVEGCSA-N 2 1 233.359 1.797 10 0 BDAEMP Nc1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616602238 398322381 /nfs/dbraw/zinc/32/23/81/398322381.db2.gz VQMCLEQJYPKUPW-GFCCVEGCSA-N 2 1 233.359 1.797 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400393077 529689441 /nfs/dbraw/zinc/68/94/41/529689441.db2.gz NTKNEXPYMQGAAT-RWMBFGLXSA-N 2 1 227.396 1.304 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400393073 529690009 /nfs/dbraw/zinc/69/00/09/529690009.db2.gz NTKNEXPYMQGAAT-AVGNSLFASA-N 2 1 227.396 1.304 10 0 BDAEMP CCc1cc(N[C@H](C)C[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC000165762871 343212319 /nfs/dbraw/zinc/21/23/19/343212319.db2.gz NQALAPADMFCWJB-RKDXNWHRSA-N 2 1 222.336 1.885 10 0 BDAEMP CC[NH+](CC)CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000179291148 346979628 /nfs/dbraw/zinc/97/96/28/346979628.db2.gz WOQAWIICTLUYLZ-CQSZACIVSA-N 2 1 239.407 1.498 10 0 BDAEMP CCOc1cccc([C@H]2C[NH2+]C[C@H]2[NH3+])c1 ZINC000409422944 343814346 /nfs/dbraw/zinc/81/43/46/343814346.db2.gz NBRKGCXYEGOJKJ-VXGBXAGGSA-N 2 1 206.289 1.099 10 0 BDAEMP COC[C@@]12C[N@@H+](CCC[NH3+])C[C@H]1CCCC2 ZINC000409435566 343834127 /nfs/dbraw/zinc/83/41/27/343834127.db2.gz VLJFTZXUAKUAJC-CHWSQXEVSA-N 2 1 226.364 1.474 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@H+]1CCC[NH2+]CC1 ZINC000235300717 343951823 /nfs/dbraw/zinc/95/18/23/343951823.db2.gz HMEURXZLWQQYLQ-UWVGGRQHSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@@H+]1CC(C)(C)[NH3+] ZINC000220375357 344252170 /nfs/dbraw/zinc/25/21/70/344252170.db2.gz BIALTCZHXRCAKJ-BDAKNGLRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@H+]1CC(C)(C)[NH3+] ZINC000220375357 344252174 /nfs/dbraw/zinc/25/21/74/344252174.db2.gz BIALTCZHXRCAKJ-BDAKNGLRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H]1SCC[N@H+](CC(C)(C)[NH3+])[C@@H]1C ZINC000220375432 344254067 /nfs/dbraw/zinc/25/40/67/344254067.db2.gz BIALTCZHXRCAKJ-RKDXNWHRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H]1SCC[N@@H+](CC(C)(C)[NH3+])[C@@H]1C ZINC000220375432 344254068 /nfs/dbraw/zinc/25/40/68/344254068.db2.gz BIALTCZHXRCAKJ-RKDXNWHRSA-N 2 1 202.367 1.550 10 0 BDAEMP CC[C@H]1CC[N@@H+]([C@]2(C[NH3+])CCSC2)C1 ZINC000166003007 344272236 /nfs/dbraw/zinc/27/22/36/344272236.db2.gz OAHFLOUFYOMSIH-QWRGUYRKSA-N 2 1 214.378 1.553 10 0 BDAEMP CC[C@H]1CC[N@H+]([C@]2(C[NH3+])CCSC2)C1 ZINC000166003007 344272238 /nfs/dbraw/zinc/27/22/38/344272238.db2.gz OAHFLOUFYOMSIH-QWRGUYRKSA-N 2 1 214.378 1.553 10 0 BDAEMP CC1(C)CSC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000227554067 344506169 /nfs/dbraw/zinc/50/61/69/344506169.db2.gz BKTVDYPFNTXTPI-NXEZZACHSA-N 2 1 214.378 1.551 10 0 BDAEMP CC1(C)CSC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000227554067 344506171 /nfs/dbraw/zinc/50/61/71/344506171.db2.gz BKTVDYPFNTXTPI-NXEZZACHSA-N 2 1 214.378 1.551 10 0 BDAEMP CC[NH2+][C@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000220775292 344581104 /nfs/dbraw/zinc/58/11/04/344581104.db2.gz KPHFJVWHKQFSKZ-JTQLQIEISA-N 2 1 214.378 1.566 10 0 BDAEMP CC[NH2+][C@H]1CC[N@H+](C2CCSCC2)C1 ZINC000220775292 344581105 /nfs/dbraw/zinc/58/11/05/344581105.db2.gz KPHFJVWHKQFSKZ-JTQLQIEISA-N 2 1 214.378 1.566 10 0 BDAEMP CCCn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000634999075 345199669 /nfs/dbraw/zinc/19/96/69/345199669.db2.gz PQGBIPCBXFHUTA-DGCLKSJQSA-N 2 1 236.363 1.320 10 0 BDAEMP C[C@H]1C[N@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000634999608 345200727 /nfs/dbraw/zinc/20/07/27/345200727.db2.gz WZHAAVNZECMOND-IUCAKERBSA-N 2 1 211.334 1.170 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000634999608 345200729 /nfs/dbraw/zinc/20/07/29/345200729.db2.gz WZHAAVNZECMOND-IUCAKERBSA-N 2 1 211.334 1.170 10 0 BDAEMP COc1ccccc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000635000147 345202100 /nfs/dbraw/zinc/20/21/00/345202100.db2.gz ICFHSHMHMGJWRE-AAEUAGOBSA-N 2 1 234.343 1.722 10 0 BDAEMP CN(c1cc[nH+]cc1Cl)C(C)(C)C[NH3+] ZINC000228850530 345408445 /nfs/dbraw/zinc/40/84/45/345408445.db2.gz BSHWRNADGHVXKR-UHFFFAOYSA-N 2 1 213.712 1.909 10 0 BDAEMP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061917075 346179842 /nfs/dbraw/zinc/17/98/42/346179842.db2.gz LUSHDEIRGGAERP-MXWKQRLJSA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061917075 346179845 /nfs/dbraw/zinc/17/98/45/346179845.db2.gz LUSHDEIRGGAERP-MXWKQRLJSA-N 2 1 200.326 1.223 10 0 BDAEMP C[NH+](C)Cc1cc(C[NH3+])c(F)cc1F ZINC000669379428 537980047 /nfs/dbraw/zinc/98/00/47/537980047.db2.gz AZEDCJDCUSCIEQ-UHFFFAOYSA-N 2 1 200.232 1.485 10 0 BDAEMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000580182116 346621556 /nfs/dbraw/zinc/62/15/56/346621556.db2.gz GLAJKSBENFJBHT-XQQFMLRXSA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CCC[NH2+]C1 ZINC000580182116 346621558 /nfs/dbraw/zinc/62/15/58/346621558.db2.gz GLAJKSBENFJBHT-XQQFMLRXSA-N 2 1 225.380 1.058 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000250454029 362804977 /nfs/dbraw/zinc/80/49/77/362804977.db2.gz WDEVTXFLMOBNIE-ZJUUUORDSA-N 2 1 200.351 1.033 10 0 BDAEMP COC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595908387 348397315 /nfs/dbraw/zinc/39/73/15/348397315.db2.gz HRAMSVATFQHBCV-VXGBXAGGSA-N 2 1 242.363 1.389 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669383010 538006932 /nfs/dbraw/zinc/00/69/32/538006932.db2.gz QXASCBWDLAHMMH-NWDGAFQWSA-N 2 1 212.337 1.095 10 0 BDAEMP CO[C@H]1C[N@@H+](C(C)(C)C[NH3+])CC[C@H]1C ZINC000299916837 350038530 /nfs/dbraw/zinc/03/85/30/350038530.db2.gz SUWYMHPJJSKPPQ-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP CO[C@H]1C[N@H+](C(C)(C)C[NH3+])CC[C@H]1C ZINC000299916837 350038533 /nfs/dbraw/zinc/03/85/33/350038533.db2.gz SUWYMHPJJSKPPQ-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217535707 350059946 /nfs/dbraw/zinc/05/99/46/350059946.db2.gz LUSHDEIRGGAERP-DCAQKATOSA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000217535707 350059949 /nfs/dbraw/zinc/05/99/49/350059949.db2.gz LUSHDEIRGGAERP-DCAQKATOSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@H](C[NH3+])[C@H](C)[N@H+]1CCSC[C@@H]1C ZINC000222159923 350128649 /nfs/dbraw/zinc/12/86/49/350128649.db2.gz ULTHJTTVIOSKEX-UTLUCORTSA-N 2 1 202.367 1.407 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@H]2[NH3+])cc1C ZINC000211542812 538077242 /nfs/dbraw/zinc/07/72/42/538077242.db2.gz GHVSKSGHKHMVCT-GHMZBOCLSA-N 2 1 206.289 1.018 10 0 BDAEMP C[N@H+]1CCC[C@@H]1COc1cc(C[NH3+])ccn1 ZINC000222896465 350255163 /nfs/dbraw/zinc/25/51/63/350255163.db2.gz FFLPWLPOGYRRCB-LLVKDONJSA-N 2 1 221.304 1.013 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CC[N@@H+]1C ZINC000252195146 538085605 /nfs/dbraw/zinc/08/56/05/538085605.db2.gz VKOBQQPVVGITRH-XQHKEYJVSA-N 2 1 226.364 1.362 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CC[N@H+]1C ZINC000252195146 538085610 /nfs/dbraw/zinc/08/56/10/538085610.db2.gz VKOBQQPVVGITRH-XQHKEYJVSA-N 2 1 226.364 1.362 10 0 BDAEMP Cc1[nH+]ccn1Cc1ccc(CC[NH3+])cc1 ZINC000082968833 180269622 /nfs/dbraw/zinc/26/96/22/180269622.db2.gz IWSDORNVMYKHSD-UHFFFAOYSA-N 2 1 215.300 1.741 10 0 BDAEMP C[C@H](CC[NH3+])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226666407 350447168 /nfs/dbraw/zinc/44/71/68/350447168.db2.gz BIFJZLQQNHZCBM-BBBLOLIVSA-N 2 1 202.367 1.550 10 0 BDAEMP Cc1[nH+]ccn1-c1nnc(C)c(C)c1C[NH3+] ZINC000040290480 180395889 /nfs/dbraw/zinc/39/58/89/180395889.db2.gz HZUGUKLVCWASCL-UHFFFAOYSA-N 2 1 217.276 1.046 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC000251891957 362980073 /nfs/dbraw/zinc/98/00/73/362980073.db2.gz VQSPBDVAJFBPSG-MNOVXSKESA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000306701724 350850933 /nfs/dbraw/zinc/85/09/33/350850933.db2.gz HDJVVGLCQZERFX-UWVGGRQHSA-N 2 1 216.394 1.940 10 0 BDAEMP C[C@H]([NH3+])CC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000253068886 350918827 /nfs/dbraw/zinc/91/88/27/350918827.db2.gz LEAFAGPQWYQDML-AEJSXWLSSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1C[C@@H](NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000306830935 351145327 /nfs/dbraw/zinc/14/53/27/351145327.db2.gz LXXPHOVTEDRCFA-YPMHNXCESA-N 2 1 246.358 1.523 10 0 BDAEMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616664087 351215481 /nfs/dbraw/zinc/21/54/81/351215481.db2.gz NRMHJWSWBSSUPB-CQSZACIVSA-N 2 1 234.343 1.626 10 0 BDAEMP C[C@H]1C[N@H+](C2CSC2)C[C@]1(C)C[NH3+] ZINC000307030470 351431908 /nfs/dbraw/zinc/43/19/08/351431908.db2.gz PNHLAICTZZPUTE-WPRPVWTQSA-N 2 1 200.351 1.019 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@H]1[N@@H+]1CCC=C(Cl)C1 ZINC000404388045 351416341 /nfs/dbraw/zinc/41/63/41/351416341.db2.gz GJYYOFOKNGWNDZ-WCBMZHEXSA-N 2 1 200.713 1.552 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@H]1[N@H+]1CCC=C(Cl)C1 ZINC000404388045 351416345 /nfs/dbraw/zinc/41/63/45/351416345.db2.gz GJYYOFOKNGWNDZ-WCBMZHEXSA-N 2 1 200.713 1.552 10 0 BDAEMP CS[C@@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000307139210 351494959 /nfs/dbraw/zinc/49/49/59/351494959.db2.gz HQKIFGOPBIMRSK-NXEZZACHSA-N 2 1 200.351 1.176 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000307139210 351494965 /nfs/dbraw/zinc/49/49/65/351494965.db2.gz HQKIFGOPBIMRSK-NXEZZACHSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+](C)C(C)(C)C[NH3+])[C@@H](C)O1 ZINC000307253249 351780408 /nfs/dbraw/zinc/78/04/08/351780408.db2.gz UXJNDVBOPJZTNL-BBBLOLIVSA-N 2 1 200.326 1.221 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+](C)C(C)(C)C[NH3+])[C@@H](C)O1 ZINC000307253249 351780409 /nfs/dbraw/zinc/78/04/09/351780409.db2.gz UXJNDVBOPJZTNL-BBBLOLIVSA-N 2 1 200.326 1.221 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CS1 ZINC000252173404 363190837 /nfs/dbraw/zinc/19/08/37/363190837.db2.gz ROHVGCQXGVDKDA-VLEAKVRGSA-N 2 1 214.378 1.550 10 0 BDAEMP C[C@H](C(=O)N1CC[NH+]=C1CC[NH3+])C(C)(C)C ZINC000725272495 538104242 /nfs/dbraw/zinc/10/42/42/538104242.db2.gz MPAXPZRJTQVBKL-SECBINFHSA-N 2 1 225.336 1.258 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223110061 353136516 /nfs/dbraw/zinc/13/65/16/353136516.db2.gz SUEVMBMZZZPHAP-OLZOCXBDSA-N 2 1 204.317 1.998 10 0 BDAEMP CN(c1ncc(C[NH3+])s1)[C@@H]1CCC[N@@H+](C)C1 ZINC000054896327 188127159 /nfs/dbraw/zinc/12/71/59/188127159.db2.gz XQBYWFJPXOBQGX-SECBINFHSA-N 2 1 240.376 1.132 10 0 BDAEMP C/C(=C/Cl)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000308108326 353886678 /nfs/dbraw/zinc/88/66/78/353886678.db2.gz JBDGQWQCQWSVKV-ZLQFYDKZSA-N 2 1 202.729 1.798 10 0 BDAEMP C/C(=C/Cl)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000308108326 353886680 /nfs/dbraw/zinc/88/66/80/353886680.db2.gz JBDGQWQCQWSVKV-ZLQFYDKZSA-N 2 1 202.729 1.798 10 0 BDAEMP C[C@@]1([NH3+])CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000405780172 355273201 /nfs/dbraw/zinc/27/32/01/355273201.db2.gz HBKXUUJANMCRAC-NXEZZACHSA-N 2 1 200.351 1.163 10 0 BDAEMP NC(=[NH2+])CC[N@H+](CCc1ccccn1)C1CC1 ZINC000042548140 181186865 /nfs/dbraw/zinc/18/68/65/181186865.db2.gz HNRIVQBHSSLYJQ-UHFFFAOYSA-N 2 1 232.331 1.415 10 0 BDAEMP NC(=[NH2+])CC[N@@H+](CCc1ccccn1)C1CC1 ZINC000042548140 181186867 /nfs/dbraw/zinc/18/68/67/181186867.db2.gz HNRIVQBHSSLYJQ-UHFFFAOYSA-N 2 1 232.331 1.415 10 0 BDAEMP Cc1cc(F)ccc1[C@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000675056182 538477924 /nfs/dbraw/zinc/47/79/24/538477924.db2.gz LDLKJEYHKLFKTK-VXGBXAGGSA-N 2 1 208.280 1.538 10 0 BDAEMP C(C[NH+]1C[C@@H]2CCC[C@H]2C1)[NH2+]CC1CC1 ZINC000126303745 538532610 /nfs/dbraw/zinc/53/26/10/538532610.db2.gz CLCUXYNUUPVWLA-STQMWFEESA-N 2 1 208.349 1.718 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CS1 ZINC000300049708 357177065 /nfs/dbraw/zinc/17/70/65/357177065.db2.gz UJCABGXUIQZDRW-DOLQZWNJSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CS1 ZINC000300049708 357177069 /nfs/dbraw/zinc/17/70/69/357177069.db2.gz UJCABGXUIQZDRW-DOLQZWNJSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000393831483 357302537 /nfs/dbraw/zinc/30/25/37/357302537.db2.gz KPIACKICSDNBJV-NOOOWODRSA-N 2 1 232.331 1.207 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(F)c(C)c1 ZINC000685945864 538886886 /nfs/dbraw/zinc/88/68/86/538886886.db2.gz CSHWPQUDKURUSE-YPMHNXCESA-N 2 1 222.307 1.928 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000685946334 538887916 /nfs/dbraw/zinc/88/79/16/538887916.db2.gz PNWZMAFXKUGOPA-NEPJUHHUSA-N 2 1 205.305 1.063 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 ZINC000685946339 538888374 /nfs/dbraw/zinc/88/83/74/538888374.db2.gz PQIGHBNGZSEQAQ-MNOVXSKESA-N 2 1 212.243 1.369 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCSC[C@H]1C ZINC000685951748 538895508 /nfs/dbraw/zinc/89/55/08/538895508.db2.gz XHXZOFMKODQYDJ-GMTAPVOTSA-N 2 1 228.405 1.668 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@H+]1CCC[NH2+]CC1 ZINC000306229948 359364125 /nfs/dbraw/zinc/36/41/25/359364125.db2.gz KHFQOBTXQCZNFE-NXEZZACHSA-N 2 1 200.351 1.033 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000306220340 359339836 /nfs/dbraw/zinc/33/98/36/359339836.db2.gz HTUKXLQEYOWJFK-RKDXNWHRSA-N 2 1 204.264 1.455 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000306220340 359339839 /nfs/dbraw/zinc/33/98/39/359339839.db2.gz HTUKXLQEYOWJFK-RKDXNWHRSA-N 2 1 204.264 1.455 10 0 BDAEMP CC1(C)C[N@H+](CC2(F)CC2)CC[C@H]1[NH3+] ZINC000306496172 360222961 /nfs/dbraw/zinc/22/29/61/360222961.db2.gz CUNCZNCRCOPMKI-SECBINFHSA-N 2 1 200.301 1.548 10 0 BDAEMP CC1(C)C[N@@H+](CC2(F)CC2)CC[C@H]1[NH3+] ZINC000306496172 360222963 /nfs/dbraw/zinc/22/29/63/360222963.db2.gz CUNCZNCRCOPMKI-SECBINFHSA-N 2 1 200.301 1.548 10 0 BDAEMP CC[C@]1(C)C[C@](C[NH3+])([NH+](C)C)CCO1 ZINC000069892051 360950060 /nfs/dbraw/zinc/95/00/60/360950060.db2.gz XUDITFYYXMTPIK-GHMZBOCLSA-N 2 1 200.326 1.225 10 0 BDAEMP FC1(F)CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000306621050 361231045 /nfs/dbraw/zinc/23/10/45/361231045.db2.gz YUBIZBSUHCJMJC-DTWKUNHWSA-N 2 1 204.264 1.516 10 0 BDAEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(C)C ZINC000629572580 361463862 /nfs/dbraw/zinc/46/38/62/361463862.db2.gz XQWATHSAOGEKMW-NSHDSACASA-N 2 1 202.342 1.199 10 0 BDAEMP [NH3+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000087653608 181340536 /nfs/dbraw/zinc/34/05/36/181340536.db2.gz MFKVNYIGAUKLKF-UHFFFAOYSA-N 2 1 222.254 1.750 10 0 BDAEMP COc1cccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000074073399 541312981 /nfs/dbraw/zinc/31/29/81/541312981.db2.gz TVLSUIGXKZKJHQ-DGCLKSJQSA-N 2 1 220.316 1.789 10 0 BDAEMP COc1cccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000074073399 541312983 /nfs/dbraw/zinc/31/29/83/541312983.db2.gz TVLSUIGXKZKJHQ-DGCLKSJQSA-N 2 1 220.316 1.789 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC2CC=CC2)[C@](C)(C[NH3+])C1 ZINC000630365434 364083126 /nfs/dbraw/zinc/08/31/26/364083126.db2.gz HXPLHXSZMPNYMF-STQMWFEESA-N 2 1 224.348 1.391 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@@H]1CNc1[nH+]ccc2ccccc21 ZINC000630511310 364196527 /nfs/dbraw/zinc/19/65/27/364196527.db2.gz CSZDMUJMSQVIJV-DGCLKSJQSA-N 2 1 243.310 1.227 10 0 BDAEMP Cc1cc[nH+]c(N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000630570965 364266034 /nfs/dbraw/zinc/26/60/34/364266034.db2.gz NLXVMHZPWSPTPR-QWRGUYRKSA-N 2 1 205.305 1.421 10 0 BDAEMP [NH3+]C[C@]1([NH+]2CCC2)CCCSCC1 ZINC000215036816 368140626 /nfs/dbraw/zinc/14/06/26/368140626.db2.gz UXIISVRDXKZJJO-JTQLQIEISA-N 2 1 200.351 1.307 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000616220984 369063949 /nfs/dbraw/zinc/06/39/49/369063949.db2.gz FUDDCZSYXZHRSG-KBPBESRZSA-N 2 1 246.354 1.737 10 0 BDAEMP CC(C)(C)[C@@H]1COCCC[N@@H+]1CCN ZINC000616596917 369099925 /nfs/dbraw/zinc/09/99/25/369099925.db2.gz KOTGCGVCZAAUCN-JTQLQIEISA-N 2 1 200.326 1.082 10 0 BDAEMP CC(C)CCOCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841832 369358381 /nfs/dbraw/zinc/35/83/81/369358381.db2.gz QPKXXJWCSCLMEJ-OLZOCXBDSA-N 2 1 228.380 1.576 10 0 BDAEMP c1ncc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000131440320 371604824 /nfs/dbraw/zinc/60/48/24/371604824.db2.gz YXBIIYRKZZRCKJ-VIFPVBQESA-N 2 1 211.334 1.375 10 0 BDAEMP CC[N@H+]1CCC[C@@]2(CC1)[NH2+]C[C@@H](C)S2 ZINC000226585369 371702047 /nfs/dbraw/zinc/70/20/47/371702047.db2.gz WETUJWYMVIMWSM-GHMZBOCLSA-N 2 1 214.378 1.913 10 0 BDAEMP [NH3+][C@@H]1CCCCC[C@H]1[NH+]1CCSCC1 ZINC000040989040 373977717 /nfs/dbraw/zinc/97/77/17/373977717.db2.gz HEGNTSHAFWCHGC-GHMZBOCLSA-N 2 1 214.378 1.695 10 0 BDAEMP C(C[NH+]1CCCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246731019 374291291 /nfs/dbraw/zinc/29/12/91/374291291.db2.gz JIVMBVGQSXBTRW-AWEZNQCLSA-N 2 1 237.391 1.252 10 0 BDAEMP OC1(C[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000019685499 183017843 /nfs/dbraw/zinc/01/78/43/183017843.db2.gz DSXUBGFTBRUVGB-UHFFFAOYSA-N 2 1 246.354 1.159 10 0 BDAEMP CCCC[C@H](N)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063125117 169008999 /nfs/dbraw/zinc/00/89/99/169008999.db2.gz XEQQNZKTQHMHKK-AWEZNQCLSA-N 2 1 241.423 1.778 10 0 BDAEMP CCCC[C@H]([NH3+])CN(C)CC1CC[NH+](C)CC1 ZINC000063125117 169009002 /nfs/dbraw/zinc/00/90/02/169009002.db2.gz XEQQNZKTQHMHKK-AWEZNQCLSA-N 2 1 241.423 1.778 10 0 BDAEMP CCC[N@@H+]([C@@H](C)CC(=O)OC)C1CC[NH2+]CC1 ZINC000037539198 169091207 /nfs/dbraw/zinc/09/12/07/169091207.db2.gz GZTSQXJHIFGEQU-NSHDSACASA-N 2 1 242.363 1.402 10 0 BDAEMP CCC[N@@H+](CC(=O)NC)Cc1cccc(C[NH3+])c1 ZINC000042404191 169095366 /nfs/dbraw/zinc/09/53/66/169095366.db2.gz OFQSALWALNFKCW-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCCN1CC[NH+](CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764207 169203155 /nfs/dbraw/zinc/20/31/55/169203155.db2.gz MTQJDXMHBSYGQJ-AWEZNQCLSA-N 2 1 239.407 1.546 10 0 BDAEMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000049565123 183338493 /nfs/dbraw/zinc/33/84/93/183338493.db2.gz YTOBVQDSVVTULV-LSDHHAIUSA-N 2 1 245.370 1.841 10 0 BDAEMP c1cc(C[NH+]2CCC[NH2+]CCC2)ccn1 ZINC000049666628 183343233 /nfs/dbraw/zinc/34/32/33/183343233.db2.gz NZSCNRINYAZQCU-UHFFFAOYSA-N 2 1 205.305 1.267 10 0 BDAEMP CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073654032 169207525 /nfs/dbraw/zinc/20/75/25/169207525.db2.gz MPZDMQJLKSABTF-CHWSQXEVSA-N 2 1 225.380 1.012 10 0 BDAEMP CCC[NH2+]C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063123986 169263275 /nfs/dbraw/zinc/26/32/75/169263275.db2.gz CHDJLZWHRSTBTA-ZDUSSCGKSA-N 3 1 241.423 1.648 10 0 BDAEMP CCC[NH2+]C[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063123986 169263277 /nfs/dbraw/zinc/26/32/77/169263277.db2.gz CHDJLZWHRSTBTA-ZDUSSCGKSA-N 3 1 241.423 1.648 10 0 BDAEMP c1ccc(CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000037904440 183392868 /nfs/dbraw/zinc/39/28/68/183392868.db2.gz BUPLGMYYIJXMSH-ZDUSSCGKSA-N 2 1 245.370 1.698 10 0 BDAEMP C[C@H](CC1CC1)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371480402 383830973 /nfs/dbraw/zinc/83/09/73/383830973.db2.gz NYYQZHWFKMIFHU-ZYHUDNBSSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@@H]1CS[C@]2(CC[N@@H+](C)[C@H](C)C2)N1 ZINC000156983120 384102369 /nfs/dbraw/zinc/10/23/69/384102369.db2.gz ZFGVOHFYUDSZBE-BBBLOLIVSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@@H]1CS[C@]2(CC[N@H+](C)[C@H](C)C2)[NH2+]1 ZINC000156983120 384102377 /nfs/dbraw/zinc/10/23/77/384102377.db2.gz ZFGVOHFYUDSZBE-BBBLOLIVSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@@H]1CS[C@]2(CC[N@@H+](C)[C@H](C)C2)[NH2+]1 ZINC000156983120 384102383 /nfs/dbraw/zinc/10/23/83/384102383.db2.gz ZFGVOHFYUDSZBE-BBBLOLIVSA-N 2 1 200.351 1.522 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310296936 384748995 /nfs/dbraw/zinc/74/89/95/384748995.db2.gz MHPDAJAMKLSBIX-FRRDWIJNSA-N 2 1 240.391 1.610 10 0 BDAEMP Cn1c2ccccc2[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000335578763 384930225 /nfs/dbraw/zinc/93/02/25/384930225.db2.gz GSFFXPCOWWJUMF-GHMZBOCLSA-N 2 1 244.342 1.677 10 0 BDAEMP [NH3+]Cc1noc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000156190382 385441415 /nfs/dbraw/zinc/44/14/15/385441415.db2.gz MBQIKVWVXUCSNF-UHFFFAOYSA-N 2 1 243.310 1.692 10 0 BDAEMP [NH3+]Cc1noc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000156190382 385441418 /nfs/dbraw/zinc/44/14/18/385441418.db2.gz MBQIKVWVXUCSNF-UHFFFAOYSA-N 2 1 243.310 1.692 10 0 BDAEMP CC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[C@@H]1[NH3+] ZINC000643033508 385535860 /nfs/dbraw/zinc/53/58/60/385535860.db2.gz ODFACMCWKKFNKL-KOLCDFICSA-N 2 1 245.330 1.522 10 0 BDAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000336770766 386028835 /nfs/dbraw/zinc/02/88/35/386028835.db2.gz WYSGYFZTOPMMJR-FHUSYTEZSA-N 2 1 208.349 1.857 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647886635 386300242 /nfs/dbraw/zinc/30/02/42/386300242.db2.gz DMHIIUHMMRLCOF-BETUJISGSA-N 2 1 240.391 1.875 10 0 BDAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336776848 386403968 /nfs/dbraw/zinc/40/39/68/386403968.db2.gz GUZLAWNCQCWRHF-IJLUTSLNSA-N 2 1 232.343 1.027 10 0 BDAEMP Cc1cn[nH]c1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000335448778 386518122 /nfs/dbraw/zinc/51/81/22/386518122.db2.gz SFCYMYPXCKFZJT-LLVKDONJSA-N 2 1 222.336 1.292 10 0 BDAEMP c1ccc(COC2CC([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000520565645 386695808 /nfs/dbraw/zinc/69/58/08/386695808.db2.gz RTUBYLGJNVKKJC-WLYUNCDWSA-N 2 1 246.354 1.686 10 0 BDAEMP CC1(C)CS[C@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575575828 387004364 /nfs/dbraw/zinc/00/43/64/387004364.db2.gz NTHVOJRFQWMMQG-JTQLQIEISA-N 2 1 200.351 1.571 10 0 BDAEMP CC(C)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000536955025 387167596 /nfs/dbraw/zinc/16/75/96/387167596.db2.gz OLUWZHNGYGQWGX-UPJWGTAASA-N 2 1 210.365 1.962 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1[C@H]1CSC[C@H]1C ZINC000575590163 387203617 /nfs/dbraw/zinc/20/36/17/387203617.db2.gz GIUXMMKZRFVOAA-IMSYWVGJSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1[C@H]1CSC[C@H]1C ZINC000575590163 387203621 /nfs/dbraw/zinc/20/36/21/387203621.db2.gz GIUXMMKZRFVOAA-IMSYWVGJSA-N 2 1 200.351 1.159 10 0 BDAEMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCSCC2)C1 ZINC000575513254 387385289 /nfs/dbraw/zinc/38/52/89/387385289.db2.gz HMCOSQFOOUKMLN-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCSCC2)C1 ZINC000575513254 387385293 /nfs/dbraw/zinc/38/52/93/387385293.db2.gz HMCOSQFOOUKMLN-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000643477986 387801015 /nfs/dbraw/zinc/80/10/15/387801015.db2.gz MKEINKDSXIFKCE-SWLSCSKDSA-N 2 1 230.355 1.743 10 0 BDAEMP Cc1c[nH+]ccc1NC[C@H]1C[N@H+](C)CCO1 ZINC000085791154 388096091 /nfs/dbraw/zinc/09/60/91/388096091.db2.gz FBAHWGKHOKKRLH-NSHDSACASA-N 2 1 221.304 1.133 10 0 BDAEMP Cc1c[nH+]ccc1NC[C@H]1C[N@@H+](C)CCO1 ZINC000085791154 388096093 /nfs/dbraw/zinc/09/60/93/388096093.db2.gz FBAHWGKHOKKRLH-NSHDSACASA-N 2 1 221.304 1.133 10 0 BDAEMP [NH3+][C@@H]1C[C@H]([NH2+]CCn2cncn2)c2ccccc21 ZINC000362976774 388562800 /nfs/dbraw/zinc/56/28/00/388562800.db2.gz LSAVYUVTZCILDA-OLZOCXBDSA-N 2 1 243.314 1.013 10 0 BDAEMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364374068 388564090 /nfs/dbraw/zinc/56/40/90/388564090.db2.gz IYJXVTFYZMNGJV-KOLCDFICSA-N 2 1 205.305 1.586 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2CSC2)CC[C@@H]1[NH3+] ZINC000575488495 388880969 /nfs/dbraw/zinc/88/09/69/388880969.db2.gz SMDQROCNKRCAIN-SCZZXKLOSA-N 2 1 200.351 1.019 10 0 BDAEMP C[NH+](C)C1CCN(c2[nH+]cccc2N)CC1 ZINC000036191136 132340762 /nfs/dbraw/zinc/34/07/62/132340762.db2.gz BBLKJOXREUFYFK-UHFFFAOYSA-N 2 1 220.320 1.194 10 0 BDAEMP [NH3+][C@H]1C[C@@H]([NH2+]CCCO)c2ccccc21 ZINC000169235026 134250214 /nfs/dbraw/zinc/25/02/14/134250214.db2.gz YIZGIYGJSUUBQV-NWDGAFQWSA-N 2 1 206.289 1.103 10 0 BDAEMP C([C@H]1CCC[N@H+](C2CCC2)C1)N1CCOCC1 ZINC000179569389 134322209 /nfs/dbraw/zinc/32/22/09/134322209.db2.gz FWYHJKLZJWJSKG-CYBMUJFWSA-N 2 1 238.375 1.583 10 0 BDAEMP C[N@@H+](C[C@H](O)C(C)(C)C)C[C@H]1CC[NH+](C)C1 ZINC000250708675 135058068 /nfs/dbraw/zinc/05/80/68/135058068.db2.gz QRFLDTMKYYXGQU-RYUDHWBXSA-N 2 1 228.380 1.277 10 0 BDAEMP C[NH+](C[C@H](O)C(C)(C)C)C[C@H]1CC[N@H+](C)C1 ZINC000250708675 135058070 /nfs/dbraw/zinc/05/80/70/135058070.db2.gz QRFLDTMKYYXGQU-RYUDHWBXSA-N 2 1 228.380 1.277 10 0 BDAEMP C[NH+](C[C@H](O)C(C)(C)C)C[C@H]1CC[N@@H+](C)C1 ZINC000250708675 135058072 /nfs/dbraw/zinc/05/80/72/135058072.db2.gz QRFLDTMKYYXGQU-RYUDHWBXSA-N 2 1 228.380 1.277 10 0 BDAEMP C[C@H]1C[N@@H+](CCC[NH+]2CCCC2)CC[C@H]1O ZINC000251674940 135073089 /nfs/dbraw/zinc/07/30/89/135073089.db2.gz MKSBXXWBJIAJLR-QWHCGFSZSA-N 2 1 226.364 1.175 10 0 BDAEMP CC1(C)C[N@@H+](Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000261701027 135246906 /nfs/dbraw/zinc/24/69/06/135246906.db2.gz ICFRHLUCBQYGHK-CYBMUJFWSA-N 2 1 233.359 1.828 10 0 BDAEMP FC1(F)CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000335035752 135870248 /nfs/dbraw/zinc/87/02/48/135870248.db2.gz YPWLDECCPYKRAI-RKDXNWHRSA-N 2 1 204.264 1.516 10 0 BDAEMP C[C@@H](CC[NH3+])Nc1[nH]c2ccccc2[nH+]1 ZINC000308953026 397843548 /nfs/dbraw/zinc/84/35/48/397843548.db2.gz YGFIPWNIOOUAEX-QMMMGPOBSA-N 2 1 204.277 1.712 10 0 BDAEMP C[N@@H+](CCN[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000307243112 397991839 /nfs/dbraw/zinc/99/18/39/397991839.db2.gz SPZQVFKSTKSYNM-AWEZNQCLSA-N 2 1 233.359 1.070 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1CC1CC([NH3+])C1 ZINC000575467470 397992834 /nfs/dbraw/zinc/99/28/34/397992834.db2.gz QVIZDYWEJOLJDQ-XNWIYYODSA-N 2 1 200.351 1.161 10 0 BDAEMP Cc1cc(N[C@H]2C[NH2+]CC[C@H]2C)nc(C)[nH+]1 ZINC000389728373 398130043 /nfs/dbraw/zinc/13/00/43/398130043.db2.gz NEPGBZHGALZVRF-KCJUWKMLSA-N 2 1 220.320 1.503 10 0 BDAEMP CC(C)[NH2+][C@]1(C[NH3+])CCc2ccccc2C1 ZINC000050271005 167143052 /nfs/dbraw/zinc/14/30/52/167143052.db2.gz CHQCPVKLLQNASU-CQSZACIVSA-N 2 1 218.344 1.871 10 0 BDAEMP CC(C)OCC[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000062568747 167232898 /nfs/dbraw/zinc/23/28/98/167232898.db2.gz NUPKJWSUPVCJHD-LLVKDONJSA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)OCC[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000062568747 167232899 /nfs/dbraw/zinc/23/28/99/167232899.db2.gz NUPKJWSUPVCJHD-LLVKDONJSA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)OCC[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000062568770 167236001 /nfs/dbraw/zinc/23/60/01/167236001.db2.gz HADTUNACNMDXEG-LLVKDONJSA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)OCC[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000062568770 167236003 /nfs/dbraw/zinc/23/60/03/167236003.db2.gz HADTUNACNMDXEG-LLVKDONJSA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)C[NH2+]CC(C)(C)C[N@@H+](CCO)C1CC1 ZINC000051284984 167003079 /nfs/dbraw/zinc/00/30/79/167003079.db2.gz NJLOEDBVKWKWDH-UHFFFAOYSA-N 2 1 242.407 1.715 10 0 BDAEMP CC(C)C[NH2+]C[C@@H]1CCCN1c1[nH+]ccn1C ZINC000053697406 167006229 /nfs/dbraw/zinc/00/62/29/167006229.db2.gz WKFPAWWGJAMVJS-LBPRGKRZSA-N 2 1 236.363 1.635 10 0 BDAEMP CC(C)NC(=O)C[N@H+](C)Cc1ccccc1C[NH3+] ZINC000037757739 167048331 /nfs/dbraw/zinc/04/83/31/167048331.db2.gz ZNKUOKUGRAILAX-UHFFFAOYSA-N 2 1 249.358 1.102 10 0 BDAEMP CC(C)NC(=O)C[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000037757739 167048334 /nfs/dbraw/zinc/04/83/34/167048334.db2.gz ZNKUOKUGRAILAX-UHFFFAOYSA-N 2 1 249.358 1.102 10 0 BDAEMP CC(C)[NH2+][C@H](CC[NH+]1CCCCCC1)C(N)=O ZINC000062441187 167138515 /nfs/dbraw/zinc/13/85/15/167138515.db2.gz BLZYGPXIZYCNOD-GFCCVEGCSA-N 2 1 241.379 1.104 10 0 BDAEMP CC(C)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000375839888 167384226 /nfs/dbraw/zinc/38/42/26/167384226.db2.gz JUWXEGFOQLUDBK-GHMZBOCLSA-N 2 1 207.321 1.832 10 0 BDAEMP CC(C)[C@@H](CNC[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000054240293 167399550 /nfs/dbraw/zinc/39/95/50/167399550.db2.gz KCZFIPFRVMPFHJ-ZIAGYGMSSA-N 2 1 241.423 1.647 10 0 BDAEMP CC(C)[C@@H](CNC[C@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000054240293 167399552 /nfs/dbraw/zinc/39/95/52/167399552.db2.gz KCZFIPFRVMPFHJ-ZIAGYGMSSA-N 2 1 241.423 1.647 10 0 BDAEMP CC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCC1 ZINC000398959822 411001353 /nfs/dbraw/zinc/00/13/53/411001353.db2.gz LLWLLDVWEUMTOB-CQSZACIVSA-N 2 1 240.391 1.611 10 0 BDAEMP c1cn2c(n1)C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000062321660 411202066 /nfs/dbraw/zinc/20/20/66/411202066.db2.gz PAJMCOIYQJIBNM-UHFFFAOYSA-N 2 1 248.374 1.479 10 0 BDAEMP c1cn2c(n1)C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000062321660 411202070 /nfs/dbraw/zinc/20/20/70/411202070.db2.gz PAJMCOIYQJIBNM-UHFFFAOYSA-N 2 1 248.374 1.479 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC000381043867 411284692 /nfs/dbraw/zinc/28/46/92/411284692.db2.gz CUGJXNQVHOKRKW-RHYQMDGZSA-N 2 1 219.332 1.832 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@H]21 ZINC000656699950 411324339 /nfs/dbraw/zinc/32/43/39/411324339.db2.gz OGDVKZHMCRATDR-FRRDWIJNSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@H]21 ZINC000656699950 411324340 /nfs/dbraw/zinc/32/43/40/411324340.db2.gz OGDVKZHMCRATDR-FRRDWIJNSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@H]21 ZINC000656699950 411324341 /nfs/dbraw/zinc/32/43/41/411324341.db2.gz OGDVKZHMCRATDR-FRRDWIJNSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000656699950 411324342 /nfs/dbraw/zinc/32/43/42/411324342.db2.gz OGDVKZHMCRATDR-FRRDWIJNSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000656699950 411324343 /nfs/dbraw/zinc/32/43/43/411324343.db2.gz OGDVKZHMCRATDR-FRRDWIJNSA-N 2 1 226.364 1.172 10 0 BDAEMP CCC(C)(C)NC(=O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557069 168290546 /nfs/dbraw/zinc/29/05/46/168290546.db2.gz LNHRGPDBANKLKA-NSHDSACASA-N 2 1 243.395 1.221 10 0 BDAEMP CC[N@H+]1CC[C@@H](C[NH2+]CCn2cc[nH+]c2C)C1 ZINC000049330180 170007886 /nfs/dbraw/zinc/00/78/86/170007886.db2.gz DLVDKBDZMWSVJV-ZDUSSCGKSA-N 3 1 236.363 1.123 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037643725 170015171 /nfs/dbraw/zinc/01/51/71/170015171.db2.gz PWGSLKFALVHGSU-CYBMUJFWSA-N 2 1 234.343 1.824 10 0 BDAEMP CC[NH2+]CCNCCC[N@H+]1CCCC[C@@H]1C ZINC000049475196 170115716 /nfs/dbraw/zinc/11/57/16/170115716.db2.gz CYQCBGKOVVYMLI-ZDUSSCGKSA-N 2 1 227.396 1.450 10 0 BDAEMP CC[NH2+]CC[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515488 170117563 /nfs/dbraw/zinc/11/75/63/170117563.db2.gz OSKUBLPEGOMVJD-ZDUSSCGKSA-N 2 1 241.423 1.648 10 0 BDAEMP CC[NH2+]C[C@@H](C)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942494 170119498 /nfs/dbraw/zinc/11/94/98/170119498.db2.gz NXWVAOFPWLDCIH-ZIAGYGMSSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000045205619 170126137 /nfs/dbraw/zinc/12/61/37/170126137.db2.gz BIPXIXNNDVBKON-UHFFFAOYSA-N 2 1 234.343 1.628 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1CN1CCC[N@@H+](C)CC1 ZINC000053863875 170150869 /nfs/dbraw/zinc/15/08/69/170150869.db2.gz LZTIQRWRVUESEI-ZIAGYGMSSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711431 170151716 /nfs/dbraw/zinc/15/17/16/170151716.db2.gz KYHZMSQTLNOAJF-VXGBXAGGSA-N 2 1 226.364 1.628 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1C ZINC000042821751 170151993 /nfs/dbraw/zinc/15/19/93/170151993.db2.gz YYEBFZQDUCFRNM-MELADBBJSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)[C@@H]2CCCO2)C[C@@H]1C ZINC000049711072 170167567 /nfs/dbraw/zinc/16/75/67/170167567.db2.gz YTOKGHMPHAFXEO-XUXIUFHCSA-N 2 1 240.391 1.874 10 0 BDAEMP CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095091450 170168222 /nfs/dbraw/zinc/16/82/22/170168222.db2.gz QWSAFDJDZVPCLE-CABCVRRESA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095091450 170168223 /nfs/dbraw/zinc/16/82/23/170168223.db2.gz QWSAFDJDZVPCLE-CABCVRRESA-N 2 1 248.370 1.479 10 0 BDAEMP CCOC(CN(C)C[C@@H]1CC[N@@H+](C)C1)OCC ZINC000104357640 170314611 /nfs/dbraw/zinc/31/46/11/170314611.db2.gz TWZRXJXUQWHHMO-GFCCVEGCSA-N 2 1 244.379 1.269 10 0 BDAEMP CCOC(C[N@H+](C)C[C@@H]1CC[NH+](C)C1)OCC ZINC000104357640 170314612 /nfs/dbraw/zinc/31/46/12/170314612.db2.gz TWZRXJXUQWHHMO-GFCCVEGCSA-N 2 1 244.379 1.269 10 0 BDAEMP CCOC(C[N@@H+](C)C[C@@H]1CC[NH+](C)C1)OCC ZINC000104357640 170314613 /nfs/dbraw/zinc/31/46/13/170314613.db2.gz TWZRXJXUQWHHMO-GFCCVEGCSA-N 2 1 244.379 1.269 10 0 BDAEMP CCOC(C[NH+](C)C[C@@H]1CC[N@H+](C)C1)OCC ZINC000104357640 170314614 /nfs/dbraw/zinc/31/46/14/170314614.db2.gz TWZRXJXUQWHHMO-GFCCVEGCSA-N 2 1 244.379 1.269 10 0 BDAEMP CCOC(C[NH+](C)C[C@@H]1CC[N@@H+](C)C1)OCC ZINC000104357640 170314615 /nfs/dbraw/zinc/31/46/15/170314615.db2.gz TWZRXJXUQWHHMO-GFCCVEGCSA-N 2 1 244.379 1.269 10 0 BDAEMP CCOCC[N@H+]1CCC[C@@H]1CCC[NH3+] ZINC000082596786 170398598 /nfs/dbraw/zinc/39/85/98/170398598.db2.gz NQISHSXRQHBVDA-NSHDSACASA-N 2 1 200.326 1.226 10 0 BDAEMP Cc1cc(NCC2([NH3+])CCOCC2)nc(C)[nH+]1 ZINC000630525282 411645131 /nfs/dbraw/zinc/64/51/31/411645131.db2.gz CXFDSPLKYYQRQB-UHFFFAOYSA-N 2 1 236.319 1.013 10 0 BDAEMP CC[C@@H]1CC[N@H+](C2CCOCC2)C[C@H](C)C[NH2+]1 ZINC000049666371 171009272 /nfs/dbraw/zinc/00/92/72/171009272.db2.gz HCRXABRWISIORL-CHWSQXEVSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@@H]1CN(C[C@@H](C)C[NH2+]C(C)C)CC[N@H+]1C ZINC000070073109 171085230 /nfs/dbraw/zinc/08/52/30/171085230.db2.gz JBWMITTUQJRYKX-UONOGXRCSA-N 2 1 241.423 1.647 10 0 BDAEMP CC[C@@]1(C[N@@H+]2CCOC(C)(C)C2)CCC[NH2+]C1 ZINC000062862106 171211752 /nfs/dbraw/zinc/21/17/52/171211752.db2.gz QMWLQHDWCPJAGD-CQSZACIVSA-N 2 1 240.391 1.877 10 0 BDAEMP CC[C@@]1(C[N@H+]2CCOC(C)(C)C2)CCC[NH2+]C1 ZINC000062862106 171211754 /nfs/dbraw/zinc/21/17/54/171211754.db2.gz QMWLQHDWCPJAGD-CQSZACIVSA-N 2 1 240.391 1.877 10 0 BDAEMP CCn1cc[nH+]c1N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000053712654 172225500 /nfs/dbraw/zinc/22/55/00/172225500.db2.gz JEYSSMNYLGBSIN-NXEZZACHSA-N 2 1 208.309 1.090 10 0 BDAEMP CCn1cc[nH+]c1N1CCCC[C@H]1C[NH2+]C ZINC000053706784 172225702 /nfs/dbraw/zinc/22/57/02/172225702.db2.gz BNIOCBUWMLXEBV-NSHDSACASA-N 2 1 222.336 1.481 10 0 BDAEMP C[N@H+]1CCCN(c2ccc(F)cc2C[NH3+])CC1 ZINC000037236452 173018107 /nfs/dbraw/zinc/01/81/07/173018107.db2.gz UMNDSYHROMJYFJ-UHFFFAOYSA-N 2 1 237.322 1.426 10 0 BDAEMP CN([C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]C1 ZINC000054135151 173044912 /nfs/dbraw/zinc/04/49/12/173044912.db2.gz IGRFCTBGUKBCNN-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP CN1CC[N@@H+](CCC[C@@H]2CCC[NH2+]2)CC1(C)C ZINC000104124523 173080618 /nfs/dbraw/zinc/08/06/18/173080618.db2.gz YTGDQOSCQBUTOC-ZDUSSCGKSA-N 2 1 239.407 1.545 10 0 BDAEMP C[N@@H+]1CCN(CCC[C@@H]2CCC[NH2+]2)CC1(C)C ZINC000104124523 173080620 /nfs/dbraw/zinc/08/06/20/173080620.db2.gz YTGDQOSCQBUTOC-ZDUSSCGKSA-N 2 1 239.407 1.545 10 0 BDAEMP C[N@H+]1CCN(CCC[C@@H]2CCC[NH2+]2)CC1(C)C ZINC000104124523 173080622 /nfs/dbraw/zinc/08/06/22/173080622.db2.gz YTGDQOSCQBUTOC-ZDUSSCGKSA-N 2 1 239.407 1.545 10 0 BDAEMP C[NH+]1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053861665 173084646 /nfs/dbraw/zinc/08/46/46/173084646.db2.gz ULIGJCBISDVBBF-STQMWFEESA-N 2 1 225.380 1.141 10 0 BDAEMP C[NH+]1CCN(Cc2occc2C[NH2+]C2CC2)CC1 ZINC000052379302 173089172 /nfs/dbraw/zinc/08/91/72/173089172.db2.gz PKXJWPLKMDIYNB-UHFFFAOYSA-N 2 1 249.358 1.279 10 0 BDAEMP C[N@H+]1CC[C@H](n2c(N)[nH+]c3ccc(F)cc32)C1 ZINC000052123001 173157468 /nfs/dbraw/zinc/15/74/68/173157468.db2.gz OHUBACVWBJFDHZ-VIFPVBQESA-N 2 1 234.278 1.634 10 0 BDAEMP C[NH2+]C1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000085224240 173324058 /nfs/dbraw/zinc/32/40/58/173324058.db2.gz ONIWGZRBYOFFRX-FUNVUKJBSA-N 2 1 202.301 1.336 10 0 BDAEMP C[NH2+]C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000085224240 173324060 /nfs/dbraw/zinc/32/40/60/173324060.db2.gz ONIWGZRBYOFFRX-FUNVUKJBSA-N 2 1 202.301 1.336 10 0 BDAEMP C[NH2+]CCCOCc1ccc2nc(C)[nH]c2c1 ZINC000077366807 173349882 /nfs/dbraw/zinc/34/98/82/173349882.db2.gz OECPFDGFPPWARX-UHFFFAOYSA-N 2 1 233.315 1.997 10 0 BDAEMP C[NH2+]CCN(C)CC[N@H+]1CCc2ccccc2C1 ZINC000077419147 173353155 /nfs/dbraw/zinc/35/31/55/173353155.db2.gz JZGMURFUXUQAIF-UHFFFAOYSA-N 2 1 247.386 1.196 10 0 BDAEMP C[NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000020072292 173354238 /nfs/dbraw/zinc/35/42/38/173354238.db2.gz IRXLJGNPWLBUKG-CQSZACIVSA-N 2 1 233.359 1.195 10 0 BDAEMP C[NH2+]Cc1coc(C[NH+]2CCSCC2)c1 ZINC000052425659 173393170 /nfs/dbraw/zinc/39/31/70/173393170.db2.gz GPGALGCLQSBNNH-UHFFFAOYSA-N 2 1 226.345 1.548 10 0 BDAEMP COCCC[N@@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000062029684 174218234 /nfs/dbraw/zinc/21/82/34/174218234.db2.gz HMUZXBRHLGOGEA-UHFFFAOYSA-N 2 1 240.322 1.753 10 0 BDAEMP COCCC[N@H+](CCOC)C[C@@H]([NH3+])CC(C)C ZINC000042425413 174223951 /nfs/dbraw/zinc/22/39/51/174223951.db2.gz RQRVSIKSVGCSSN-ZDUSSCGKSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@@H+](CCOC)C[C@@H]([NH3+])CC(C)C ZINC000042425413 174223953 /nfs/dbraw/zinc/22/39/53/174223953.db2.gz RQRVSIKSVGCSSN-ZDUSSCGKSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601923 174235185 /nfs/dbraw/zinc/23/51/85/174235185.db2.gz PMZYAKSOCXPMHI-YOGCLGLASA-N 2 1 212.337 1.367 10 0 BDAEMP COCC[N@@H+](CCCCCC[NH3+])[C@@H](C)COC ZINC000042610878 174290215 /nfs/dbraw/zinc/29/02/15/174290215.db2.gz WQFSVQVVSNTPKX-ZDUSSCGKSA-N 2 1 246.395 1.489 10 0 BDAEMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)C1CC1 ZINC000062911986 174297499 /nfs/dbraw/zinc/29/74/99/174297499.db2.gz HNTDKAHWEOYNMD-TZMCWYRMSA-N 2 1 240.391 1.733 10 0 BDAEMP COCC[N@H+](Cc1ccccc1C(N)=[NH2+])C1CC1 ZINC000042518454 174299222 /nfs/dbraw/zinc/29/92/22/174299222.db2.gz ROXWCUOCDRELBA-UHFFFAOYSA-N 2 1 247.342 1.581 10 0 BDAEMP COCC[N@@H+](Cc1ccccc1C(N)=[NH2+])C1CC1 ZINC000042518454 174299223 /nfs/dbraw/zinc/29/92/23/174299223.db2.gz ROXWCUOCDRELBA-UHFFFAOYSA-N 2 1 247.342 1.581 10 0 BDAEMP COCC[N@@H+]([C@@H](C)COC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042602058 174302502 /nfs/dbraw/zinc/30/25/02/174302502.db2.gz SWULTYLWHGYBCP-YNEHKIRRSA-N 2 1 244.379 1.097 10 0 BDAEMP COCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062623418 174306355 /nfs/dbraw/zinc/30/63/55/174306355.db2.gz UWMXKPJJCYJFFE-HNNXBMFYSA-N 2 1 248.370 1.539 10 0 BDAEMP COCC[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062623418 174306358 /nfs/dbraw/zinc/30/63/58/174306358.db2.gz UWMXKPJJCYJFFE-HNNXBMFYSA-N 2 1 248.370 1.539 10 0 BDAEMP COCC[NH2+]CCC[N@@H+](CCOC)CC(C)C ZINC000053499510 174332013 /nfs/dbraw/zinc/33/20/13/174332013.db2.gz DARNQCOCERMTJU-UHFFFAOYSA-N 2 1 246.395 1.217 10 0 BDAEMP COc1cccc(CC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000011891369 175251874 /nfs/dbraw/zinc/25/18/74/175251874.db2.gz OKJRFPZOILQEAF-CYBMUJFWSA-N 2 1 234.343 1.518 10 0 BDAEMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000309427460 175928231 /nfs/dbraw/zinc/92/82/31/175928231.db2.gz AXTCYQPPMGBIPL-PWSUYJOCSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)CC[NH3+] ZINC000077334514 176020625 /nfs/dbraw/zinc/02/06/25/176020625.db2.gz WJVBVIAHNYRSIC-WCQYABFASA-N 2 1 222.332 1.389 10 0 BDAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)C[NH2+]C1CC1 ZINC000042607062 176086375 /nfs/dbraw/zinc/08/63/75/176086375.db2.gz WXKYIJOAWFAZSD-MRVWCRGKSA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@@H]1CCC[N@@H+](C[C@]2(C[NH3+])CCCOC2)[C@@H]1C ZINC000104305910 176100298 /nfs/dbraw/zinc/10/02/98/176100298.db2.gz YZRFULPRBLCBQF-MGPQQGTHSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@@H]1CC[N@@H+](C2CCN(C)CC2)CCC[NH2+]1 ZINC000044390316 176166367 /nfs/dbraw/zinc/16/63/67/176166367.db2.gz JPPBMQGJUGYWCQ-GFCCVEGCSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@@H]1CC[N@H+](C2CCN(C)CC2)CCC[NH2+]1 ZINC000044390316 176166368 /nfs/dbraw/zinc/16/63/68/176166368.db2.gz JPPBMQGJUGYWCQ-GFCCVEGCSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@]2(C[NH3+])CCCOC2)[C@H](C)C1 ZINC000104317436 176174464 /nfs/dbraw/zinc/17/44/64/176174464.db2.gz XMWHTCCPCUSROA-MGPQQGTHSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006210 176278760 /nfs/dbraw/zinc/27/87/60/176278760.db2.gz GHCXEMQIRXBZSB-FOGDFJRCSA-N 2 1 222.336 1.228 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006210 176278762 /nfs/dbraw/zinc/27/87/62/176278762.db2.gz GHCXEMQIRXBZSB-FOGDFJRCSA-N 2 1 222.336 1.228 10 0 BDAEMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006212 176280163 /nfs/dbraw/zinc/28/01/63/176280163.db2.gz GHCXEMQIRXBZSB-CKYFFXLPSA-N 2 1 222.336 1.228 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006212 176280164 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ZINC000685965720 538912209 /nfs/dbraw/zinc/91/22/09/538912209.db2.gz QADZDZMSSONZEY-CHWSQXEVSA-N 2 1 204.317 1.653 10 0 BDAEMP Cc1ccc(C)c([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965676 538912292 /nfs/dbraw/zinc/91/22/92/538912292.db2.gz OINPOFKNJKKFPT-QWHCGFSZSA-N 2 1 204.317 1.708 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c(C)c1 ZINC000685965858 538912363 /nfs/dbraw/zinc/91/23/63/538912363.db2.gz WOMKRVJHPFUOEV-QWHCGFSZSA-N 2 1 220.316 1.408 10 0 BDAEMP CCc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685965630 538912495 /nfs/dbraw/zinc/91/24/95/538912495.db2.gz LZRLBOCEMINQDE-OLZOCXBDSA-N 2 1 204.317 1.653 10 0 BDAEMP CCC(CC)(C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020217743 168323068 /nfs/dbraw/zinc/32/30/68/168323068.db2.gz BIKMEHXLYGMZJN-UHFFFAOYSA-N 2 1 213.369 1.141 10 0 BDAEMP Cc1cc(Cl)cn2c(CC[NH3+])c[nH+]c12 ZINC000082693501 178070279 /nfs/dbraw/zinc/07/02/79/178070279.db2.gz VGQXDPGEPXLVMF-UHFFFAOYSA-N 2 1 209.680 1.797 10 0 BDAEMP Cc1cc(N(CCC(N)=[NH2+])C(C)C)nc(C)[nH+]1 ZINC000042529878 178102159 /nfs/dbraw/zinc/10/21/59/178102159.db2.gz AJCBQMVIGOPVRI-UHFFFAOYSA-N 2 1 235.335 1.634 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000306789003 398200787 /nfs/dbraw/zinc/20/07/87/398200787.db2.gz SQYZLRCNIGQINB-AXTSPUMRSA-N 2 1 202.367 1.548 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCS[C@H](C)[C@H]1C ZINC000306789003 398200789 /nfs/dbraw/zinc/20/07/89/398200789.db2.gz SQYZLRCNIGQINB-AXTSPUMRSA-N 2 1 202.367 1.548 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000306789005 398200842 /nfs/dbraw/zinc/20/08/42/398200842.db2.gz SQYZLRCNIGQINB-XKNYDFJKSA-N 2 1 202.367 1.548 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000306789005 398200843 /nfs/dbraw/zinc/20/08/43/398200843.db2.gz SQYZLRCNIGQINB-XKNYDFJKSA-N 2 1 202.367 1.548 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000378763264 346828494 /nfs/dbraw/zinc/82/84/94/346828494.db2.gz BWICRPDCUDVSFF-IJLUTSLNSA-N 2 1 212.337 1.238 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])CN1c1cc[nH+]cc1Cl ZINC000306644461 361835095 /nfs/dbraw/zinc/83/50/95/361835095.db2.gz ZQDJQFCEQDUUKK-YUMQZZPRSA-N 2 1 211.696 1.661 10 0 BDAEMP CCC(CC)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000381311495 538997578 /nfs/dbraw/zinc/99/75/78/538997578.db2.gz AHZNOSJKHMMZHH-UHFFFAOYSA-N 2 1 228.380 1.469 10 0 BDAEMP CC[N@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]cc2C)C1 ZINC000390657445 539026946 /nfs/dbraw/zinc/02/69/46/539026946.db2.gz RFXFFKWGPXUOFG-DGCLKSJQSA-N 2 1 219.332 1.564 10 0 BDAEMP Cc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000162228476 343205218 /nfs/dbraw/zinc/20/52/18/343205218.db2.gz FXUJOSBUSUAECO-GFCCVEGCSA-N 2 1 219.332 1.622 10 0 BDAEMP [NH3+]C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000044528010 343781371 /nfs/dbraw/zinc/78/13/71/343781371.db2.gz OXMDQHSBSBQRPV-GFCCVEGCSA-N 2 1 230.355 1.825 10 0 BDAEMP C[N@@H+](C1CC[NH2+]CC1)C1CCSCC1 ZINC000307369786 343790085 /nfs/dbraw/zinc/79/00/85/343790085.db2.gz OJZFJMGSTIEIHL-UHFFFAOYSA-N 2 1 214.378 1.566 10 0 BDAEMP CCOC[C@H]1C[N@H+](CC[NH3+])CC12CCCC2 ZINC000409426417 343798073 /nfs/dbraw/zinc/79/80/73/343798073.db2.gz CGYXYSFICACJFO-GFCCVEGCSA-N 2 1 226.364 1.474 10 0 BDAEMP CCOC[C@H]1C[N@@H+](CC[NH3+])CC12CCCC2 ZINC000409426417 343798075 /nfs/dbraw/zinc/79/80/75/343798075.db2.gz CGYXYSFICACJFO-GFCCVEGCSA-N 2 1 226.364 1.474 10 0 BDAEMP [NH3+]CCC[N@H+]1C[C@@H]2CCC(F)(F)[C@@H]2C1 ZINC000409433109 343826647 /nfs/dbraw/zinc/82/66/47/343826647.db2.gz XJCCDWVBOGRTHB-DTWKUNHWSA-N 2 1 204.264 1.312 10 0 BDAEMP C[C@H](CC[NH3+])[N@H+]1CCSC(C)(C)C1 ZINC000135210426 343967321 /nfs/dbraw/zinc/96/73/21/343967321.db2.gz KYRKYRNSFBRGIA-SECBINFHSA-N 2 1 202.367 1.551 10 0 BDAEMP CCC1(C[N@H+]2CC[C@H](N(C)C)C2)CC[NH2+]CC1 ZINC000104177336 168467719 /nfs/dbraw/zinc/46/77/19/168467719.db2.gz MHOXKWSLRZRHKU-ZDUSSCGKSA-N 2 1 239.407 1.402 10 0 BDAEMP COC(=O)CCCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000600706009 344360257 /nfs/dbraw/zinc/36/02/57/344360257.db2.gz BZRMVAZPVNNALD-LBPRGKRZSA-N 2 1 242.363 1.404 10 0 BDAEMP [NH3+]C[C@](F)(C1CC1)[C@@H]1CCCCC[NH2+]1 ZINC000158411923 344645903 /nfs/dbraw/zinc/64/59/03/344645903.db2.gz YLFVSPRDXFJRMN-QWRGUYRKSA-N 2 1 200.301 1.596 10 0 BDAEMP C1=CC[N@H+](CC[C@@H]2CSCC[NH2+]2)CC1 ZINC000166124873 344742421 /nfs/dbraw/zinc/74/24/21/344742421.db2.gz BYGUNHNGBNAJHY-LLVKDONJSA-N 2 1 212.362 1.343 10 0 BDAEMP C1=CC[N@@H+](CC[C@@H]2CSCC[NH2+]2)CC1 ZINC000166124873 344742424 /nfs/dbraw/zinc/74/24/24/344742424.db2.gz BYGUNHNGBNAJHY-LLVKDONJSA-N 2 1 212.362 1.343 10 0 BDAEMP [NH3+]C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCSC1 ZINC000224531662 344938380 /nfs/dbraw/zinc/93/83/80/344938380.db2.gz MVNHYKAPQZYFHR-STQMWFEESA-N 2 1 236.384 1.857 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000248253509 345092602 /nfs/dbraw/zinc/09/26/02/345092602.db2.gz NDTHGBXTJCOSAV-HUUCEWRRSA-N 2 1 248.370 1.479 10 0 BDAEMP COc1cc(C)nc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634999009 345199297 /nfs/dbraw/zinc/19/92/97/345199297.db2.gz OOKBIERIPDMKPH-CMPLNLGQSA-N 2 1 249.358 1.425 10 0 BDAEMP COc1cc(C)nc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634999009 345199300 /nfs/dbraw/zinc/19/93/00/345199300.db2.gz OOKBIERIPDMKPH-CMPLNLGQSA-N 2 1 249.358 1.425 10 0 BDAEMP CCc1nn(C)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999688 345200636 /nfs/dbraw/zinc/20/06/36/345200636.db2.gz XWZIJMMOSXQAEO-WDEREUQCSA-N 2 1 236.363 1.009 10 0 BDAEMP [NH3+]CCCNc1cc[nH+]cc1Br ZINC000159802691 345545886 /nfs/dbraw/zinc/54/58/86/345545886.db2.gz IJYUOAHMFVOEQB-UHFFFAOYSA-N 2 1 230.109 1.605 10 0 BDAEMP C[C@@H](c1cccc2ncccc21)[C@@H]([NH3+])CN ZINC000141796589 345861117 /nfs/dbraw/zinc/86/11/17/345861117.db2.gz WGOAVGXHEPZJMZ-CABZTGNLSA-N 2 1 215.300 1.624 10 0 BDAEMP c1cn(Cc2ccccc2)c(N2CC[NH2+]CC2)[nH+]1 ZINC000221193504 345863466 /nfs/dbraw/zinc/86/34/66/345863466.db2.gz WTVDZKAKPOWZSA-UHFFFAOYSA-N 2 1 242.326 1.341 10 0 BDAEMP [NH3+][C@H]1CCc2[nH+]c(C3CCCC3)[nH]c2C1 ZINC000083986031 345921480 /nfs/dbraw/zinc/92/14/80/345921480.db2.gz OMTJTLYMTAWVKC-VIFPVBQESA-N 2 1 205.305 1.883 10 0 BDAEMP Cc1cccc(CCC[N@H+](C)CC[NH3+])c1 ZINC000077299988 179054058 /nfs/dbraw/zinc/05/40/58/179054058.db2.gz UIDJAEFRESPOND-UHFFFAOYSA-N 2 1 206.333 1.818 10 0 BDAEMP Cc1cccc(CCC[N@@H+](C)CC[NH3+])c1 ZINC000077299988 179054060 /nfs/dbraw/zinc/05/40/60/179054060.db2.gz UIDJAEFRESPOND-UHFFFAOYSA-N 2 1 206.333 1.818 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1Cc1cncc(C[NH3+])c1 ZINC000669378987 537974619 /nfs/dbraw/zinc/97/46/19/537974619.db2.gz RNLWHPKACLZYHY-LLVKDONJSA-N 2 1 219.332 1.915 10 0 BDAEMP CN(C)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250346306 362799360 /nfs/dbraw/zinc/79/93/60/362799360.db2.gz GNTBONZGZOSQPQ-CHWSQXEVSA-N 2 1 225.380 1.012 10 0 BDAEMP [NH3+]C[C@H]1CCCC[N@@H+]1[C@H]1CCSC1 ZINC000250939347 362828005 /nfs/dbraw/zinc/82/80/05/362828005.db2.gz ZAGFSBOLXLAJOV-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]C[C@H]1CCCC[N@H+]1[C@H]1CCSC1 ZINC000250939347 362828011 /nfs/dbraw/zinc/82/80/11/362828011.db2.gz ZAGFSBOLXLAJOV-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000251339534 362863603 /nfs/dbraw/zinc/86/36/03/362863603.db2.gz PYMSZAOTZIIHEV-MNOVXSKESA-N 2 1 214.378 1.553 10 0 BDAEMP C[C@@H]1C[NH2+][C@]2(CC[N@@H+](C)[C@H](C)C2)S1 ZINC000251692088 362899718 /nfs/dbraw/zinc/89/97/18/362899718.db2.gz AWIVFFDPRLPXNA-OPRDCNLKSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@H]([NH3+])CC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222023537 349988279 /nfs/dbraw/zinc/98/82/79/349988279.db2.gz LEAFAGPQWYQDML-GUBZILKMSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H](C[NH3+])[C@@H](C)[N@H+]1CCSC[C@@H]1C ZINC000222159865 350128693 /nfs/dbraw/zinc/12/86/93/350128693.db2.gz ULTHJTTVIOSKEX-KXUCPTDWSA-N 2 1 202.367 1.407 10 0 BDAEMP Cc1nccn1CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074267 180250456 /nfs/dbraw/zinc/25/04/56/180250456.db2.gz AROQWMRQOPSLPX-CYBMUJFWSA-N 2 1 236.363 1.252 10 0 BDAEMP Cc1[nH+]ccn1CCOc1ccc(C[NH3+])cc1 ZINC000037050486 180263000 /nfs/dbraw/zinc/26/30/00/180263000.db2.gz QZWSVJMRBACCKN-UHFFFAOYSA-N 2 1 231.299 1.729 10 0 BDAEMP Cc1[nH+]ccn1[C@H](c1ccco1)[C@H](C)[NH3+] ZINC000043336366 180271367 /nfs/dbraw/zinc/27/13/67/180271367.db2.gz GRPRWSTZIAZRHT-KWQFWETISA-N 2 1 205.261 1.721 10 0 BDAEMP COC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918112 350290572 /nfs/dbraw/zinc/29/05/72/350290572.db2.gz HYFRLDBVZDXQQU-RYUDHWBXSA-N 2 1 240.347 1.014 10 0 BDAEMP Cc1[nH+]cn(Cc2cc(C[NH3+])oc2C)c1C ZINC000052593590 180287481 /nfs/dbraw/zinc/28/74/81/180287481.db2.gz VBCTYZIUOWLBGI-UHFFFAOYSA-N 2 1 219.288 1.908 10 0 BDAEMP C[C@H]1C[N@H+](CC(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000225238592 350355093 /nfs/dbraw/zinc/35/50/93/350355093.db2.gz AJBBGKDSFRPANV-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]1C[N@@H+](CC(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000225238592 350355099 /nfs/dbraw/zinc/35/50/99/350355099.db2.gz AJBBGKDSFRPANV-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP Cc1nn(C)c(C)c1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049553566 180341820 /nfs/dbraw/zinc/34/18/20/180341820.db2.gz DERLIXGILWFWLR-SNVBAGLBSA-N 2 1 238.379 1.467 10 0 BDAEMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCSCC1 ZINC000051890059 350542735 /nfs/dbraw/zinc/54/27/35/350542735.db2.gz RTBHXZRKTIKJTA-JTQLQIEISA-N 2 1 200.351 1.035 10 0 BDAEMP C[C@@H]1CSCC[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] ZINC000251865008 362971858 /nfs/dbraw/zinc/97/18/58/362971858.db2.gz SUUHZDOTUQJRND-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@@H]1CCC[C@H]1[NH3+] ZINC000251865008 362971865 /nfs/dbraw/zinc/97/18/65/362971865.db2.gz SUUHZDOTUQJRND-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP Nc1ncccc1[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000616600380 350779179 /nfs/dbraw/zinc/77/91/79/350779179.db2.gz CUFSYFKNVMYJAO-LLVKDONJSA-N 2 1 235.331 1.226 10 0 BDAEMP Nc1[nH+]cccc1[C@@H]1CCC[N@H+](CCO)CC1 ZINC000616600380 350779183 /nfs/dbraw/zinc/77/91/83/350779183.db2.gz CUFSYFKNVMYJAO-LLVKDONJSA-N 2 1 235.331 1.226 10 0 BDAEMP Nc1[nH+]cccc1[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000616600380 350779186 /nfs/dbraw/zinc/77/91/86/350779186.db2.gz CUFSYFKNVMYJAO-LLVKDONJSA-N 2 1 235.331 1.226 10 0 BDAEMP Nc1cccc([C@@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616608311 350804753 /nfs/dbraw/zinc/80/47/53/350804753.db2.gz RWIUSXQGBSCHLW-LBPRGKRZSA-N 2 1 205.305 1.364 10 0 BDAEMP Nc1cccc([C@@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616608311 350804756 /nfs/dbraw/zinc/80/47/56/350804756.db2.gz RWIUSXQGBSCHLW-LBPRGKRZSA-N 2 1 205.305 1.364 10 0 BDAEMP C[C@@H]([NH3+])[C@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000306701727 350850969 /nfs/dbraw/zinc/85/09/69/350850969.db2.gz HDJVVGLCQZERFX-ZJUUUORDSA-N 2 1 216.394 1.940 10 0 BDAEMP COC1(C)CC[NH+]([C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000306803351 351057839 /nfs/dbraw/zinc/05/78/39/351057839.db2.gz AHENBRRGQBGHPT-ZJUUUORDSA-N 2 1 200.326 1.223 10 0 BDAEMP NCC[N@H+]1CCC[C@H](c2ccccc2CO)CC1 ZINC000616629968 351101521 /nfs/dbraw/zinc/10/15/21/351101521.db2.gz XDNMCDFDGHGXEV-ZDUSSCGKSA-N 2 1 248.370 1.707 10 0 BDAEMP C[C@@H]1C[C@]2(C[NH+]=C(N)O2)C[N@H+]1Cc1ccccc1 ZINC000306826926 351136401 /nfs/dbraw/zinc/13/64/01/351136401.db2.gz AQSJBVPWSGXQTA-RISCZKNCSA-N 2 1 245.326 1.365 10 0 BDAEMP [NH3+]C1CC[NH+](CCc2nccs2)CC1 ZINC000063134219 351247186 /nfs/dbraw/zinc/24/71/86/351247186.db2.gz SHXSFZDGESFGNG-UHFFFAOYSA-N 2 1 211.334 1.109 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(N)=[NH2+] ZINC000307048109 351447258 /nfs/dbraw/zinc/44/72/58/351447258.db2.gz PBDLTJJSKBPUHM-LLVKDONJSA-N 2 1 232.331 1.086 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(N)=[NH2+] ZINC000307048109 351447260 /nfs/dbraw/zinc/44/72/60/351447260.db2.gz PBDLTJJSKBPUHM-LLVKDONJSA-N 2 1 232.331 1.086 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CSC2(C)C)C1 ZINC000307147500 351500449 /nfs/dbraw/zinc/50/04/49/351500449.db2.gz IBIVVSRILBBTMQ-NXEZZACHSA-N 2 1 214.378 1.422 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@H]2C)CS1 ZINC000307223026 351649342 /nfs/dbraw/zinc/64/93/42/351649342.db2.gz JUYJBQGKULWCFH-IMSYWVGJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@H]2C)CS1 ZINC000307223026 351649344 /nfs/dbraw/zinc/64/93/44/351649344.db2.gz JUYJBQGKULWCFH-IMSYWVGJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CS1 ZINC000307223025 351649768 /nfs/dbraw/zinc/64/97/68/351649768.db2.gz JUYJBQGKULWCFH-DOLQZWNJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)CS1 ZINC000307223025 351649770 /nfs/dbraw/zinc/64/97/70/351649770.db2.gz JUYJBQGKULWCFH-DOLQZWNJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@H]1CSC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 ZINC000307245320 351753257 /nfs/dbraw/zinc/75/32/57/351753257.db2.gz VQHOPXYJRQQHJT-NFTFJBJSSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 ZINC000307245326 351753294 /nfs/dbraw/zinc/75/32/94/351753294.db2.gz VQHOPXYJRQQHJT-WOOKNIGNSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1C[C@@H]([N@H+](C)C(C)(C)C[NH3+])[C@H](C)O1 ZINC000307253250 351780211 /nfs/dbraw/zinc/78/02/11/351780211.db2.gz UXJNDVBOPJZTNL-KXUCPTDWSA-N 2 1 200.326 1.221 10 0 BDAEMP C[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)C[NH3+])[C@H](C)O1 ZINC000307253250 351780214 /nfs/dbraw/zinc/78/02/14/351780214.db2.gz UXJNDVBOPJZTNL-KXUCPTDWSA-N 2 1 200.326 1.221 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]CC[C@H]1c1c(F)cccc1Cl ZINC000725270048 538102175 /nfs/dbraw/zinc/10/21/75/538102175.db2.gz DMHRTMBADXCUHQ-GMSGAONNSA-N 2 1 228.698 1.883 10 0 BDAEMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1[C@@H]1CCCSC1 ZINC000307384549 352511532 /nfs/dbraw/zinc/51/15/32/352511532.db2.gz JBJRVOKKDAHCRY-MXWKQRLJSA-N 2 1 214.378 1.694 10 0 BDAEMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000336660218 188083166 /nfs/dbraw/zinc/08/31/66/188083166.db2.gz BTWWSIJNJVMMRF-MNOVXSKESA-N 2 1 216.369 1.323 10 0 BDAEMP C[C@@H]1CC[NH2+]CC[N@H+]1[C@@H]1CCSC1 ZINC000405275662 353156052 /nfs/dbraw/zinc/15/60/52/353156052.db2.gz WXYKHRXOVSZBRX-NXEZZACHSA-N 2 1 200.351 1.176 10 0 BDAEMP C1C[NH2+][C@H]([C@@H]2CCC[N@H+](C3CCOCC3)C2)C1 ZINC000037916572 188115292 /nfs/dbraw/zinc/11/52/92/188115292.db2.gz PBTCLTWLCMQYDC-OCCSQVGLSA-N 2 1 238.375 1.629 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@@H+]1CCCSCC1 ZINC000042444876 188120075 /nfs/dbraw/zinc/12/00/75/188120075.db2.gz TXWCIAFSQVRKLS-SNVBAGLBSA-N 2 1 202.367 1.409 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@H+]1CCCSCC1 ZINC000042444876 188120076 /nfs/dbraw/zinc/12/00/76/188120076.db2.gz TXWCIAFSQVRKLS-SNVBAGLBSA-N 2 1 202.367 1.409 10 0 BDAEMP CC(C)=CC[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309073530 188166160 /nfs/dbraw/zinc/16/61/60/188166160.db2.gz HQXHEIZCRWTVJA-LLVKDONJSA-N 2 1 205.305 1.754 10 0 BDAEMP CCOC(C[NH2+]CCC[NH+](CC)CC)OCC ZINC000160178668 353376842 /nfs/dbraw/zinc/37/68/42/353376842.db2.gz ZZROQOASKRTEJA-UHFFFAOYSA-N 2 1 246.395 1.707 10 0 BDAEMP C[C@@H]([NH2+]Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000571669480 353489520 /nfs/dbraw/zinc/48/95/20/353489520.db2.gz OKFBTGQLRZYAPB-MNOVXSKESA-N 2 1 208.305 1.757 10 0 BDAEMP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000577946711 366124346 /nfs/dbraw/zinc/12/43/46/366124346.db2.gz FZONCHJMYRBGGE-QWHCGFSZSA-N 2 1 233.359 1.868 10 0 BDAEMP C[C@@H](C[NH2+]C1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000038042078 358482162 /nfs/dbraw/zinc/48/21/62/358482162.db2.gz NDWIMQLTPLCJSB-ZDUSSCGKSA-N 3 1 239.407 1.450 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCCS2)C1 ZINC000252495074 363447731 /nfs/dbraw/zinc/44/77/31/363447731.db2.gz ALIYTBPOPSNXEQ-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@]1(CNc2[nH+]cnc3[nH]ccc32)CCC[NH2+]C1 ZINC000420232443 192180690 /nfs/dbraw/zinc/18/06/90/192180690.db2.gz UKPFYZHUZZADFC-ZDUSSCGKSA-N 2 1 245.330 1.181 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405789695 355276460 /nfs/dbraw/zinc/27/64/60/355276460.db2.gz KKBYYWGYPFMWGA-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[NH2+]CCCNc1cc(CC)[nH+]c(C)n1 ZINC000084082121 355282453 /nfs/dbraw/zinc/28/24/53/355282453.db2.gz KPHCAFQBQVWWAT-UHFFFAOYSA-N 2 1 222.336 1.759 10 0 BDAEMP NC(=[NH2+])CCC[N@@H+](CCO)Cc1ccccc1 ZINC000050514486 181187140 /nfs/dbraw/zinc/18/71/40/181187140.db2.gz DNCKNRKHWZLXTP-UHFFFAOYSA-N 2 1 235.331 1.197 10 0 BDAEMP [NH3+]CC[C@@H](Nc1[nH+]cnc2[nH]ccc21)C(F)F ZINC000420289473 192201868 /nfs/dbraw/zinc/20/18/68/192201868.db2.gz SYEZSNISECBUKA-SSDOTTSWSA-N 2 1 241.245 1.352 10 0 BDAEMP C[C@H]1CC[C@@H](O)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000421033299 192309247 /nfs/dbraw/zinc/30/92/47/192309247.db2.gz XNICENHWWFUMPG-UONOGXRCSA-N 2 1 240.391 1.708 10 0 BDAEMP COc1ccc(C2=C[C@@H](N)C[NH2+]C2)s1 ZINC000675079384 538517201 /nfs/dbraw/zinc/51/72/01/538517201.db2.gz YFRYUBDZPHEIRE-MRVPVSSYSA-N 2 1 210.302 1.071 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CCCSC2)C[C@@]1(C)C[NH3+] ZINC000389581651 356993632 /nfs/dbraw/zinc/99/36/32/356993632.db2.gz HHQYCOJIVRGHRZ-IJLUTSLNSA-N 2 1 228.405 1.799 10 0 BDAEMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000389925276 357068776 /nfs/dbraw/zinc/06/87/76/357068776.db2.gz VQJLQXDJIMSPJY-UKRRQHHQSA-N 2 1 248.370 1.791 10 0 BDAEMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000393831488 357302414 /nfs/dbraw/zinc/30/24/14/357302414.db2.gz KPIACKICSDNBJV-WRWGMCAJSA-N 2 1 232.331 1.207 10 0 BDAEMP Cc1cc(C)cc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685945871 538886939 /nfs/dbraw/zinc/88/69/39/538886939.db2.gz CYNDZIVRLDWZLB-QWHCGFSZSA-N 2 1 204.317 1.708 10 0 BDAEMP CCOc1cccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685945827 538887378 /nfs/dbraw/zinc/88/73/78/538887378.db2.gz CBBCLEOSLJQGFU-CHWSQXEVSA-N 2 1 220.316 1.490 10 0 BDAEMP COc1cccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685945974 538887505 /nfs/dbraw/zinc/88/75/05/538887505.db2.gz HVILWHJVLVCLTQ-RYUDHWBXSA-N 2 1 206.289 1.099 10 0 BDAEMP CC[C@@H]1COCC[N@@H+]1C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685950616 538894126 /nfs/dbraw/zinc/89/41/26/538894126.db2.gz BRBJKVKNQGHQBQ-IJLUTSLNSA-N 2 1 226.364 1.341 10 0 BDAEMP CC[C@@H]1COCC[N@H+]1C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685950616 538894127 /nfs/dbraw/zinc/89/41/27/538894127.db2.gz BRBJKVKNQGHQBQ-IJLUTSLNSA-N 2 1 226.364 1.341 10 0 BDAEMP COC[C@@H]1CC[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951404 538895057 /nfs/dbraw/zinc/89/50/57/538895057.db2.gz SQWHUIKGYQMCLR-XQHKEYJVSA-N 2 1 226.364 1.199 10 0 BDAEMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)O)C1 ZINC000578316277 366500181 /nfs/dbraw/zinc/50/01/81/366500181.db2.gz UYBGBUFJYHHTGK-NSHDSACASA-N 2 1 214.353 1.079 10 0 BDAEMP CSC1(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)CC1 ZINC000306230584 359366348 /nfs/dbraw/zinc/36/63/48/359366348.db2.gz ZTLLDRNUNHUGMV-NXEZZACHSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H](CC[NH3+])[N@H+]1CCCOC(C)(C)C1 ZINC000306471752 360098240 /nfs/dbraw/zinc/09/82/40/360098240.db2.gz SEPPGQWOBYJCGB-JTQLQIEISA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@H]([C@@H](C)C[NH3+])[N@H+]1CCCO[C@H](C)C1 ZINC000252588210 363909878 /nfs/dbraw/zinc/90/98/78/363909878.db2.gz AUEMVAHQZVYDMA-HBNTYKKESA-N 2 1 200.326 1.081 10 0 BDAEMP CO[C@@H]1C[N@@H+](CCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356694 364078032 /nfs/dbraw/zinc/07/80/32/364078032.db2.gz TVWSCADFCNKHTD-NWDGAFQWSA-N 2 1 214.353 1.471 10 0 BDAEMP CO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@](C)(C[NH3+])C1 ZINC000630366756 364086446 /nfs/dbraw/zinc/08/64/46/364086446.db2.gz LOZOKFSGMGGVHN-NDKCEZKHSA-N 2 1 238.375 1.471 10 0 BDAEMP CCc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)nc(C)[nH+]1 ZINC000630532337 364221655 /nfs/dbraw/zinc/22/16/55/364221655.db2.gz HXLWSIPHPVBEKC-CABZTGNLSA-N 2 1 234.347 1.900 10 0 BDAEMP Cc1cc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)nc(C)[nH+]1 ZINC000630538387 364233498 /nfs/dbraw/zinc/23/34/98/364233498.db2.gz JTAUPFPZBBNXGD-OKILXGFUSA-N 2 1 246.358 1.529 10 0 BDAEMP [NH3+]CCN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037712739 364543886 /nfs/dbraw/zinc/54/38/86/364543886.db2.gz XZFZZKSQVNTABY-AWEZNQCLSA-N 2 1 233.359 1.199 10 0 BDAEMP [NH3+]CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1C=C[C@H]2CC1 ZINC000072236212 181375895 /nfs/dbraw/zinc/37/58/95/181375895.db2.gz AULALABEFKKEBT-XJFOESAGSA-N 2 1 220.360 1.869 10 0 BDAEMP NC(=O)c1c[nH+]c2ccccc2c1NCCC[NH3+] ZINC000051355110 181383510 /nfs/dbraw/zinc/38/35/10/181383510.db2.gz SYMIYKQCNPHNKO-UHFFFAOYSA-N 2 1 244.298 1.094 10 0 BDAEMP [NH3+]CC[NH2+]CCSC1CCCCC1 ZINC000084581772 181396906 /nfs/dbraw/zinc/39/69/06/181396906.db2.gz XJJRQEOTRRGCKG-UHFFFAOYSA-N 2 1 202.367 1.601 10 0 BDAEMP Cc1cc[nH+]c(N[C@H](CC[NH3+])C(F)F)c1 ZINC000383531371 367634986 /nfs/dbraw/zinc/63/49/86/367634986.db2.gz ZAGJXIFKTDWRIY-MRVPVSSYSA-N 2 1 215.247 1.784 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCSC2)C1 ZINC000252786058 368065879 /nfs/dbraw/zinc/06/58/79/368065879.db2.gz PMEOMYDYBCTODR-AEJSXWLSSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]([NH3+])CC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000253068887 368444410 /nfs/dbraw/zinc/44/44/10/368444410.db2.gz LEAFAGPQWYQDML-IVZWLZJFSA-N 2 1 202.367 1.550 10 0 BDAEMP CC[C@@H](O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328654130 371136072 /nfs/dbraw/zinc/13/60/72/371136072.db2.gz XFYROQFEOWUEDF-VXGBXAGGSA-N 2 1 237.347 1.148 10 0 BDAEMP CC[C@@H](O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328654130 371136074 /nfs/dbraw/zinc/13/60/74/371136074.db2.gz XFYROQFEOWUEDF-VXGBXAGGSA-N 2 1 237.347 1.148 10 0 BDAEMP CSCC[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C ZINC000131553116 371621905 /nfs/dbraw/zinc/62/19/05/371621905.db2.gz VPTVSECZTVZNEK-ZJUUUORDSA-N 2 1 202.367 1.422 10 0 BDAEMP C[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C(C)C)OCCO2 ZINC000216448394 371755822 /nfs/dbraw/zinc/75/58/22/371755822.db2.gz VKXCWSQVFJYYCR-VXGBXAGGSA-N 2 1 242.363 1.210 10 0 BDAEMP C[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C(C)C)OCCO2 ZINC000216448394 371755825 /nfs/dbraw/zinc/75/58/25/371755825.db2.gz VKXCWSQVFJYYCR-VXGBXAGGSA-N 2 1 242.363 1.210 10 0 BDAEMP C[C@H]([NH3+])C(C)(C)C[N@@H+]1CCOC[C@@H]1C ZINC000227287142 371824225 /nfs/dbraw/zinc/82/42/25/371824225.db2.gz AYBBVWBSYAUWMU-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1CCOC[C@@H]1C ZINC000227287142 371824233 /nfs/dbraw/zinc/82/42/33/371824233.db2.gz AYBBVWBSYAUWMU-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000631837897 372630354 /nfs/dbraw/zinc/63/03/54/372630354.db2.gz GWNTVCGQXKZWRH-KWQFWETISA-N 2 1 239.388 1.787 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCCF)C[C@@H]1C[NH3+] ZINC000631838484 372630746 /nfs/dbraw/zinc/63/07/46/372630746.db2.gz PFPMQWALAUBUAM-QWRGUYRKSA-N 2 1 202.317 1.653 10 0 BDAEMP CCc1noc(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839223 372633100 /nfs/dbraw/zinc/63/31/00/372633100.db2.gz CAWBGECRAPFXLO-GXSJLCMTSA-N 2 1 237.347 1.572 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000631839069 372634432 /nfs/dbraw/zinc/63/44/32/372634432.db2.gz ZKLOXPIAMNSWPL-PWSUYJOCSA-N 2 1 222.307 1.852 10 0 BDAEMP C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840024 372635689 /nfs/dbraw/zinc/63/56/89/372635689.db2.gz OJXSJWZVYJMDGC-MDZLAQPJSA-N 2 1 219.332 1.669 10 0 BDAEMP CCCCOCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842239 372640012 /nfs/dbraw/zinc/64/00/12/372640012.db2.gz XKSLLMTXYADUND-NWDGAFQWSA-N 2 1 214.353 1.330 10 0 BDAEMP CCC(C)(C)[N@H+](C)[C@H]1COCC[C@@H]1[NH3+] ZINC000068997328 373103358 /nfs/dbraw/zinc/10/33/58/373103358.db2.gz JOQWDPJVWMAHFN-UWVGGRQHSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC(C)(C)[N@@H+](C)[C@H]1COCC[C@@H]1[NH3+] ZINC000068997328 373103361 /nfs/dbraw/zinc/10/33/61/373103361.db2.gz JOQWDPJVWMAHFN-UWVGGRQHSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@H]1CC[N@H+](C2CCSCC2)C[C@@H]1[NH3+] ZINC000069718456 373643226 /nfs/dbraw/zinc/64/32/26/373643226.db2.gz UXDFSWBYLJGFOP-ONGXEEELSA-N 2 1 214.378 1.551 10 0 BDAEMP O=C1NCC[C@@H]1[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000328685593 183026448 /nfs/dbraw/zinc/02/64/48/183026448.db2.gz XPKJAEGMZZRHHY-RYUDHWBXSA-N 2 1 247.298 1.264 10 0 BDAEMP CCC[N@@H+](C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000104313260 169077473 /nfs/dbraw/zinc/07/74/73/169077473.db2.gz RCDRPQHLHXIDFE-AWEZNQCLSA-N 2 1 240.391 1.877 10 0 BDAEMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565157 183189237 /nfs/dbraw/zinc/18/92/37/183189237.db2.gz MKOUVNVKRMHDPW-XJFOESAGSA-N 2 1 238.375 1.506 10 0 BDAEMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565157 183189238 /nfs/dbraw/zinc/18/92/38/183189238.db2.gz MKOUVNVKRMHDPW-XJFOESAGSA-N 2 1 238.375 1.506 10 0 BDAEMP CCC[N@@H+](CCC[NH3+])[C@@H](C)C(=O)N(CC)CC ZINC000036731909 169155867 /nfs/dbraw/zinc/15/58/67/169155867.db2.gz YNDZFKCEVXXNEN-LBPRGKRZSA-N 2 1 243.395 1.304 10 0 BDAEMP CCCN1CC[NH+](CCCC[NH2+]C(C)C)CC1 ZINC000037634921 169202984 /nfs/dbraw/zinc/20/29/84/169202984.db2.gz NKFARTCNWYCERX-UHFFFAOYSA-N 2 1 241.423 1.792 10 0 BDAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C1CC1 ZINC000052377909 183344938 /nfs/dbraw/zinc/34/49/38/183344938.db2.gz RHYYEXAWFUXXID-UHFFFAOYSA-N 2 1 246.354 1.771 10 0 BDAEMP CCC[NH2+]C1CCN(c2[nH+]ccn2C)CC1 ZINC000050605017 169255319 /nfs/dbraw/zinc/25/53/19/169255319.db2.gz KCOXCMHQVYTUKN-UHFFFAOYSA-N 2 1 222.336 1.389 10 0 BDAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000053031622 169262848 /nfs/dbraw/zinc/26/28/48/169262848.db2.gz FPHNWBNAXSOPSU-ZDUSSCGKSA-N 2 1 236.363 1.205 10 0 BDAEMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CC3)C2)nc1 ZINC000053012174 183393992 /nfs/dbraw/zinc/39/39/92/183393992.db2.gz DXKCDIPNIDMZFR-CYBMUJFWSA-N 2 1 245.370 1.698 10 0 BDAEMP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000053875918 169282377 /nfs/dbraw/zinc/28/23/77/169282377.db2.gz FUNVITOQECLYRL-BFHYXJOUSA-N 2 1 240.391 1.611 10 0 BDAEMP CCCO[C@@H]1CCC[N@@H+](CCCCC(N)=[NH2+])C1 ZINC000042422688 169310497 /nfs/dbraw/zinc/31/04/97/169310497.db2.gz CXKOQOAMBNHSQC-GFCCVEGCSA-N 2 1 241.379 1.984 10 0 BDAEMP CCC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000053880276 169291057 /nfs/dbraw/zinc/29/10/57/169291057.db2.gz YBEWRGSALSFKDZ-OCCSQVGLSA-N 2 1 240.391 1.611 10 0 BDAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000053875920 169291583 /nfs/dbraw/zinc/29/15/83/169291583.db2.gz FUNVITOQECLYRL-MJBXVCDLSA-N 2 1 240.391 1.611 10 0 BDAEMP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cnn1C ZINC000093650195 384258924 /nfs/dbraw/zinc/25/89/24/384258924.db2.gz LSJOTLMACFGLSW-LBPRGKRZSA-N 2 1 236.363 1.160 10 0 BDAEMP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cnn1C ZINC000093650195 384258930 /nfs/dbraw/zinc/25/89/30/384258930.db2.gz LSJOTLMACFGLSW-LBPRGKRZSA-N 2 1 236.363 1.160 10 0 BDAEMP C[C@H]1SCC[C@@H]1[N@H+]1CCC[NH2+]CC1 ZINC000235599003 384314217 /nfs/dbraw/zinc/31/42/17/384314217.db2.gz HMEURXZLWQQYLQ-ZJUUUORDSA-N 2 1 200.351 1.176 10 0 BDAEMP Cc1ccc(N(C)C[C@@H]2CC[NH2+]C2)[nH+]c1 ZINC000095071208 384339445 /nfs/dbraw/zinc/33/94/45/384339445.db2.gz YXEHOIUSTPYSFF-LLVKDONJSA-N 2 1 205.305 1.436 10 0 BDAEMP C[N@H+](CC(=O)c1ccc[nH]1)CC1CC[NH2+]CC1 ZINC000095071327 384341543 /nfs/dbraw/zinc/34/15/43/384341543.db2.gz UDADQJJOIIBMRW-UHFFFAOYSA-N 2 1 235.331 1.129 10 0 BDAEMP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000336745700 384583703 /nfs/dbraw/zinc/58/37/03/384583703.db2.gz VXAIFECSCHPYJQ-FRRDWIJNSA-N 2 1 228.380 1.467 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]C[C@@H]1CCSC1)C2 ZINC000376470375 384873738 /nfs/dbraw/zinc/87/37/38/384873738.db2.gz CBAVOUXWDFHGBB-QWRGUYRKSA-N 2 1 237.372 1.541 10 0 BDAEMP C[C@@H]([NH2+][C@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000335261181 386319882 /nfs/dbraw/zinc/31/98/82/386319882.db2.gz TUCZUWYQMVZGTP-MFKMUULPSA-N 2 1 232.327 1.708 10 0 BDAEMP CCN(CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000519698309 386529213 /nfs/dbraw/zinc/52/92/13/386529213.db2.gz IKQOQUDQGYUGMU-QWHCGFSZSA-N 2 1 239.407 1.448 10 0 BDAEMP C[C@@H](C[NH2+][C@@H](C)c1cncs1)C[NH+](C)C ZINC000293338581 386816264 /nfs/dbraw/zinc/81/62/64/386816264.db2.gz GLHPESFARXANIO-UWVGGRQHSA-N 2 1 227.377 1.991 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CCO)C1 ZINC000228349659 387084340 /nfs/dbraw/zinc/08/43/40/387084340.db2.gz JQRICNAUWKGZMH-UONOGXRCSA-N 2 1 240.391 1.565 10 0 BDAEMP CC1(C)CC[N@H+]1[C@@]1(CN)CCSC1 ZINC000575589036 387186115 /nfs/dbraw/zinc/18/61/15/387186115.db2.gz NNWBSDWREODXGW-SNVBAGLBSA-N 2 1 200.351 1.305 10 0 BDAEMP CC1(C)CC[N@@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000575589036 387186119 /nfs/dbraw/zinc/18/61/19/387186119.db2.gz NNWBSDWREODXGW-SNVBAGLBSA-N 2 1 200.351 1.305 10 0 BDAEMP CC1(C)CC[N@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000575589036 387186123 /nfs/dbraw/zinc/18/61/23/387186123.db2.gz NNWBSDWREODXGW-SNVBAGLBSA-N 2 1 200.351 1.305 10 0 BDAEMP CC1(C)CC[N@H+]1[C@]1(CN)CCSC1 ZINC000575589035 387186552 /nfs/dbraw/zinc/18/65/52/387186552.db2.gz NNWBSDWREODXGW-JTQLQIEISA-N 2 1 200.351 1.305 10 0 BDAEMP CC1(C)CC[N@@H+]1[C@]1(C[NH3+])CCSC1 ZINC000575589035 387186556 /nfs/dbraw/zinc/18/65/56/387186556.db2.gz NNWBSDWREODXGW-JTQLQIEISA-N 2 1 200.351 1.305 10 0 BDAEMP CC1(C)CC[N@H+]1[C@]1(C[NH3+])CCSC1 ZINC000575589035 387186561 /nfs/dbraw/zinc/18/65/61/387186561.db2.gz NNWBSDWREODXGW-JTQLQIEISA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C1CCSCC1 ZINC000575593153 387224355 /nfs/dbraw/zinc/22/43/55/387224355.db2.gz YAVSAZNDESEZTJ-BDAKNGLRSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C1CCSCC1 ZINC000575593153 387224362 /nfs/dbraw/zinc/22/43/62/387224362.db2.gz YAVSAZNDESEZTJ-BDAKNGLRSA-N 2 1 200.351 1.304 10 0 BDAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CCC=C(Cl)C2)C1 ZINC000575483880 387194282 /nfs/dbraw/zinc/19/42/82/387194282.db2.gz RXTCBECWSGYKBI-CZMCAQCFSA-N 2 1 200.713 1.552 10 0 BDAEMP CC1C[NH+]([C@]2(CN)CCCSC2)C1 ZINC000575493995 387286592 /nfs/dbraw/zinc/28/65/92/387286592.db2.gz NIWXEIXTXCGNJT-JTQLQIEISA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1C[C@]2(C[C@@H]([NH3+])CO2)C[N@H+]1Cc1ccccc1 ZINC000575506882 387374983 /nfs/dbraw/zinc/37/49/83/387374983.db2.gz COKDIFDYDMUQNW-YUELXQCFSA-N 2 1 246.354 1.767 10 0 BDAEMP C[C@@H]1C[C@@]2(C[C@@H]([NH3+])CO2)C[N@H+]1Cc1ccccc1 ZINC000575506871 387375851 /nfs/dbraw/zinc/37/58/51/387375851.db2.gz COKDIFDYDMUQNW-BPLDGKMQSA-N 2 1 246.354 1.767 10 0 BDAEMP C[C@@H]1C[NH2+][C@@]2(CC[NH2+]C(C)(C)C2)S1 ZINC000575512284 387383049 /nfs/dbraw/zinc/38/30/49/387383049.db2.gz MAEQFNWOKWLNSB-SCZZXKLOSA-N 2 1 200.351 1.570 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352659179 387424268 /nfs/dbraw/zinc/42/42/68/387424268.db2.gz MFDSAXNPFKBGAP-OLZOCXBDSA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352659179 387424275 /nfs/dbraw/zinc/42/42/75/387424275.db2.gz MFDSAXNPFKBGAP-OLZOCXBDSA-N 2 1 237.347 1.427 10 0 BDAEMP [NH2+]=C(NO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575521484 387452590 /nfs/dbraw/zinc/45/25/90/387452590.db2.gz WZIHRXWSUNQVMQ-LLVKDONJSA-N 2 1 219.288 1.465 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cscn1 ZINC000643512563 387596171 /nfs/dbraw/zinc/59/61/71/387596171.db2.gz ZHXMUIDUBVPHRJ-IVZWLZJFSA-N 2 1 225.361 1.921 10 0 BDAEMP COc1ccc(CCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422739069 387646649 /nfs/dbraw/zinc/64/66/49/387646649.db2.gz KJCFKRXWVSTSBF-ZDUSSCGKSA-N 2 1 234.343 1.579 10 0 BDAEMP C[NH2+][C@H]1CC[N@@H+](C2CSC2)C[C@@H]1C ZINC000575565092 387724820 /nfs/dbraw/zinc/72/48/20/387724820.db2.gz CLGLAHHNBGDJPS-WPRPVWTQSA-N 2 1 200.351 1.032 10 0 BDAEMP C[NH2+][C@H]1CC[N@H+](C2CSC2)C[C@@H]1C ZINC000575565092 387724824 /nfs/dbraw/zinc/72/48/24/387724824.db2.gz CLGLAHHNBGDJPS-WPRPVWTQSA-N 2 1 200.351 1.032 10 0 BDAEMP C/C(=C\Cl)C[NH+]1CCC(C)([NH3+])CC1 ZINC000575569679 387736766 /nfs/dbraw/zinc/73/67/66/387736766.db2.gz QRSKXTCLNCVJMD-VQHVLOKHSA-N 2 1 202.729 1.942 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000169213080 387799867 /nfs/dbraw/zinc/79/98/67/387799867.db2.gz QWSAMBJYQKQNTE-KWQFWETISA-N 2 1 241.722 1.287 10 0 BDAEMP CCC[N@H+]1CC[C@H](CN[C@H]2CCC[NH2+]CC2)C1 ZINC000422970539 387818180 /nfs/dbraw/zinc/81/81/80/387818180.db2.gz GQUNWLWCSYYIGC-KGLIPLIRSA-N 2 1 239.407 1.450 10 0 BDAEMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422970539 387818182 /nfs/dbraw/zinc/81/81/82/387818182.db2.gz GQUNWLWCSYYIGC-KGLIPLIRSA-N 3 1 239.407 1.450 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422970539 387818186 /nfs/dbraw/zinc/81/81/86/387818186.db2.gz GQUNWLWCSYYIGC-KGLIPLIRSA-N 3 1 239.407 1.450 10 0 BDAEMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CCOCC3)[C@H]2C1 ZINC000245980113 387998864 /nfs/dbraw/zinc/99/88/64/387998864.db2.gz PFGGGBODGHDURF-KBPBESRZSA-N 2 1 238.375 1.439 10 0 BDAEMP C[N@H+]1CC[C@H]2CC[NH+](CC3CCOCC3)[C@H]2C1 ZINC000245980113 387998868 /nfs/dbraw/zinc/99/88/68/387998868.db2.gz PFGGGBODGHDURF-KBPBESRZSA-N 2 1 238.375 1.439 10 0 BDAEMP C[NH+]1CC[C@H]2CC[N@H+](CC3CCOCC3)[C@H]2C1 ZINC000245980113 387998872 /nfs/dbraw/zinc/99/88/72/387998872.db2.gz PFGGGBODGHDURF-KBPBESRZSA-N 2 1 238.375 1.439 10 0 BDAEMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CCOCC3)[C@H]2C1 ZINC000245980113 387998875 /nfs/dbraw/zinc/99/88/75/387998875.db2.gz PFGGGBODGHDURF-KBPBESRZSA-N 2 1 238.375 1.439 10 0 BDAEMP C(C[NH+]1CCCC1)NC1=[NH+]CCCS1 ZINC000054130292 388593260 /nfs/dbraw/zinc/59/32/60/388593260.db2.gz SYPCTVCDFGIYMS-UHFFFAOYSA-N 2 1 213.350 1.165 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000247957831 388672258 /nfs/dbraw/zinc/67/22/58/388672258.db2.gz FVDNQNUPZUIZCM-AAVRWANBSA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564824412 388891844 /nfs/dbraw/zinc/89/18/44/388891844.db2.gz NAGPEIMCRHBBGC-KBPBESRZSA-N 3 1 239.407 1.450 10 0 BDAEMP Cc1c(C[NH2+]CC2=CC[N@@H+](C)CC2)cnn1C ZINC000271843915 389027034 /nfs/dbraw/zinc/02/70/34/389027034.db2.gz RIPIBVJWKFYORQ-UHFFFAOYSA-N 2 1 234.347 1.080 10 0 BDAEMP Cc1cccc(N2CCC(CC[NH3+])CC2)[nH+]1 ZINC000039110170 132346688 /nfs/dbraw/zinc/34/66/88/132346688.db2.gz RISACHBLNLYELP-UHFFFAOYSA-N 2 1 219.332 1.955 10 0 BDAEMP Cc1ccc[nH+]c1N1C[C@H](C[NH3+])CC[C@@H]1C ZINC000053704094 132363100 /nfs/dbraw/zinc/36/31/00/132363100.db2.gz IMHOHZAAAOCBSL-RYUDHWBXSA-N 2 1 219.332 1.954 10 0 BDAEMP C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000400515195 533360434 /nfs/dbraw/zinc/36/04/34/533360434.db2.gz KJGSXJWNPURUCF-NEPJUHHUSA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@@H](NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400318149 533392349 /nfs/dbraw/zinc/39/23/49/533392349.db2.gz AULDSAYYCLLPOH-OLZOCXBDSA-N 2 1 239.407 1.448 10 0 BDAEMP C[C@H](O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169242840 134249923 /nfs/dbraw/zinc/24/99/23/134249923.db2.gz KEEJRILJRMIOBX-TVYUQYBPSA-N 2 1 220.316 1.492 10 0 BDAEMP OCC[N@@H+](CCC[NH+]1CCCC1)C1CCC1 ZINC000221185544 134317216 /nfs/dbraw/zinc/31/72/16/134317216.db2.gz UWVXJEYYVIQNTR-UHFFFAOYSA-N 2 1 226.364 1.319 10 0 BDAEMP C[C@H]([NH3+])CCNc1cc[nH+]cc1Br ZINC000159896325 134794396 /nfs/dbraw/zinc/79/43/96/134794396.db2.gz MCRZGMUSEBLMKB-ZETCQYMHSA-N 2 1 244.136 1.993 10 0 BDAEMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C[C@H](C)O ZINC000248745832 135020111 /nfs/dbraw/zinc/02/01/11/135020111.db2.gz BBDPXRVRUBSBJY-YJBUHQLJSA-N 2 1 240.391 1.608 10 0 BDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000261557818 135198414 /nfs/dbraw/zinc/19/84/14/135198414.db2.gz XPNVLFRBUYWPKA-CBAPKCEASA-N 2 1 246.763 1.071 10 0 BDAEMP CC1(C)C[N@@H+](Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000261701028 135246514 /nfs/dbraw/zinc/24/65/14/135246514.db2.gz ICFRHLUCBQYGHK-ZDUSSCGKSA-N 2 1 233.359 1.828 10 0 BDAEMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261789754 135253555 /nfs/dbraw/zinc/25/35/55/135253555.db2.gz UVWRWILQZMVIFW-GFCCVEGCSA-N 2 1 236.363 1.586 10 0 BDAEMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261789754 135253556 /nfs/dbraw/zinc/25/35/56/135253556.db2.gz UVWRWILQZMVIFW-GFCCVEGCSA-N 2 1 236.363 1.586 10 0 BDAEMP C[C@H](c1cnn(C)c1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262034413 135274457 /nfs/dbraw/zinc/27/44/57/135274457.db2.gz OJYKYJQUNAGERT-DGCLKSJQSA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@H](c1cnn(C)c1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262034413 135274459 /nfs/dbraw/zinc/27/44/59/135274459.db2.gz OJYKYJQUNAGERT-DGCLKSJQSA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@H]1O ZINC000299891583 135381225 /nfs/dbraw/zinc/38/12/25/135381225.db2.gz WHTVQZKFMLVFOV-CHWSQXEVSA-N 2 1 226.364 1.175 10 0 BDAEMP C[C@H](O)[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000166116795 136074122 /nfs/dbraw/zinc/07/41/22/136074122.db2.gz SETXOWGPMPTXDC-STQMWFEESA-N 2 1 226.364 1.175 10 0 BDAEMP CCc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)nc(C)[nH+]1 ZINC000389706696 398125264 /nfs/dbraw/zinc/12/52/64/398125264.db2.gz OKJCXHNHPXBVHF-CABZTGNLSA-N 2 1 234.347 1.757 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CCCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000063137005 167114971 /nfs/dbraw/zinc/11/49/71/167114971.db2.gz PSUYXCOOATUWAP-ZIAGYGMSSA-N 2 1 239.407 1.401 10 0 BDAEMP CC1([NH2+][C@H]2CCOC[C@@H]2[NH3+])CCCCC1 ZINC000091691214 168064086 /nfs/dbraw/zinc/06/40/86/168064086.db2.gz UGIKJLOXFBHPJV-QWRGUYRKSA-N 2 1 212.337 1.415 10 0 BDAEMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000659926040 411500038 /nfs/dbraw/zinc/50/00/38/411500038.db2.gz KNJHTZMOLBUVST-JHJVBQTASA-N 2 1 226.364 1.173 10 0 BDAEMP CC[NH2+]CC(C)(C)C[N@H+]1CCC[C@H]1CCCO ZINC000052763376 170110563 /nfs/dbraw/zinc/11/05/63/170110563.db2.gz HAOTULPSYMRHKF-ZDUSSCGKSA-N 2 1 242.407 1.859 10 0 BDAEMP CC[NH2+]C[C@@H](C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000082485188 170118758 /nfs/dbraw/zinc/11/87/58/170118758.db2.gz FALKZLXNFVXZAZ-GFCCVEGCSA-N 2 1 227.396 1.258 10 0 BDAEMP CC[NH2+]C[C@@H](C)C[N@@H+](CCCOC)CCOC ZINC000052543213 170119197 /nfs/dbraw/zinc/11/91/97/170119197.db2.gz CRSBPBHKQHEISD-CYBMUJFWSA-N 2 1 246.395 1.217 10 0 BDAEMP CC[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000045205625 170128468 /nfs/dbraw/zinc/12/84/68/170128468.db2.gz CPSJTYAPGSDFIV-UHFFFAOYSA-N 2 1 234.343 1.628 10 0 BDAEMP CCOC1CC[NH+](CC2([NH3+])CCCC2)CC1 ZINC000040690239 170333098 /nfs/dbraw/zinc/33/30/98/170333098.db2.gz FKXKYVUSBYHERM-UHFFFAOYSA-N 2 1 226.364 1.759 10 0 BDAEMP CC[C@@H]1CC[N@H+](CCc2ccncc2)CC[NH2+]1 ZINC000049662220 171012850 /nfs/dbraw/zinc/01/28/50/171012850.db2.gz UYWIYCWAYQBHTO-CQSZACIVSA-N 2 1 233.359 1.698 10 0 BDAEMP CC[C@@H]1CC[N@@H+](CCc2ccncc2)CC[NH2+]1 ZINC000049662220 171012852 /nfs/dbraw/zinc/01/28/52/171012852.db2.gz UYWIYCWAYQBHTO-CQSZACIVSA-N 2 1 233.359 1.698 10 0 BDAEMP CC[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000036769154 171087542 /nfs/dbraw/zinc/08/75/42/171087542.db2.gz PWKUSYXMCJQODL-CQSZACIVSA-N 2 1 234.343 1.756 10 0 BDAEMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000036769154 171087545 /nfs/dbraw/zinc/08/75/45/171087545.db2.gz PWKUSYXMCJQODL-CQSZACIVSA-N 2 1 234.343 1.756 10 0 BDAEMP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](CCO)C1CC1 ZINC000051285075 171166092 /nfs/dbraw/zinc/16/60/92/171166092.db2.gz WOYFYTDGHXNHHT-AWEZNQCLSA-N 2 1 242.407 1.857 10 0 BDAEMP CC[C@H](C(N)=O)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC000061676117 171243408 /nfs/dbraw/zinc/24/34/08/171243408.db2.gz IEONUHIRQNJJAP-GFCCVEGCSA-N 2 1 241.379 1.234 10 0 BDAEMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557552 171332332 /nfs/dbraw/zinc/33/23/32/171332332.db2.gz JMZUGUZEFZFICO-SDDRHHMPSA-N 2 1 243.395 1.219 10 0 BDAEMP CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCOC)C1 ZINC000076461527 171342068 /nfs/dbraw/zinc/34/20/68/171342068.db2.gz BSZDKCJOOMOHAX-NWDGAFQWSA-N 2 1 214.353 1.343 10 0 BDAEMP C[NH2+]CCOCCNc1[nH+]c2ccccc2n1C ZINC000630530459 412292663 /nfs/dbraw/zinc/29/26/63/412292663.db2.gz KLWQTKUMDRXCTO-UHFFFAOYSA-N 2 1 248.330 1.221 10 0 BDAEMP CCc1nc(N[C@@H](C)C[NH2+]C)cc(C)[nH+]1 ZINC000663279979 412408284 /nfs/dbraw/zinc/40/82/84/412408284.db2.gz WEDHSRBJRNXKGN-VIFPVBQESA-N 2 1 208.309 1.367 10 0 BDAEMP C[N@H+]1CCCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000020217628 173016686 /nfs/dbraw/zinc/01/66/86/173016686.db2.gz FOTJHUJTFCCISB-UHFFFAOYSA-N 2 1 246.358 1.108 10 0 BDAEMP CN1CCC[N@H+](Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000020217628 173016689 /nfs/dbraw/zinc/01/66/89/173016689.db2.gz FOTJHUJTFCCISB-UHFFFAOYSA-N 2 1 246.358 1.108 10 0 BDAEMP CN1CCC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000020217628 173016691 /nfs/dbraw/zinc/01/66/91/173016691.db2.gz FOTJHUJTFCCISB-UHFFFAOYSA-N 2 1 246.358 1.108 10 0 BDAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000044535985 173040980 /nfs/dbraw/zinc/04/09/80/173040980.db2.gz NGKUKYWLODTXHO-OLZOCXBDSA-N 2 1 226.364 1.487 10 0 BDAEMP CN1CC[NH+](CC2(C[NH3+])CCCCC2)CC1 ZINC000049820247 173078096 /nfs/dbraw/zinc/07/80/96/173078096.db2.gz ZAKIBZHMZBBOPQ-UHFFFAOYSA-N 2 1 225.380 1.143 10 0 BDAEMP C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2N)C1 ZINC000037484616 173118458 /nfs/dbraw/zinc/11/84/58/173118458.db2.gz XMIUIGQKVLMKGD-VIFPVBQESA-N 2 1 206.293 1.027 10 0 BDAEMP CN(C1CCCCC1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990034 173135297 /nfs/dbraw/zinc/13/52/97/173135297.db2.gz NYAYUFMJEASGLK-ZDUSSCGKSA-N 2 1 225.380 1.284 10 0 BDAEMP CN(C1CCCCC1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990034 173135299 /nfs/dbraw/zinc/13/52/99/173135299.db2.gz NYAYUFMJEASGLK-ZDUSSCGKSA-N 2 1 225.380 1.284 10 0 BDAEMP C[N@H+]1CC[C@@](CC[NH3+])(c2cccs2)C1 ZINC000077304291 173136160 /nfs/dbraw/zinc/13/61/60/173136160.db2.gz KGXIPFVKVNZOKH-LLVKDONJSA-N 2 1 210.346 1.670 10 0 BDAEMP CN(Cc1cccs1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990242 173137087 /nfs/dbraw/zinc/13/70/87/173137087.db2.gz WBLOBCMMUUQMQT-LBPRGKRZSA-N 2 1 239.388 1.213 10 0 BDAEMP CN(Cc1cccs1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990242 173137088 /nfs/dbraw/zinc/13/70/88/173137088.db2.gz WBLOBCMMUUQMQT-LBPRGKRZSA-N 2 1 239.388 1.213 10 0 BDAEMP C[N@H+]1CC[C@H](CN2Cc3ccccc3C2=[NH2+])C1 ZINC000037647619 173145876 /nfs/dbraw/zinc/14/58/76/173145876.db2.gz QBHJIFNOTQHNKK-NSHDSACASA-N 2 1 229.327 1.779 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000037894274 173147585 /nfs/dbraw/zinc/14/75/85/173147585.db2.gz MBIOBTVCXFTHJE-CYBMUJFWSA-N 2 1 240.391 1.613 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCC([NH3+])CC1)C2 ZINC000051693498 173205887 /nfs/dbraw/zinc/20/58/87/173205887.db2.gz KKVUZYASFGXONQ-ZRRUAHMRSA-N 3 1 237.391 1.471 10 0 BDAEMP CN1[C@@H]2CC[C@H]1CC([NH2+]C1CCC([NH3+])CC1)C2 ZINC000051693498 173205890 /nfs/dbraw/zinc/20/58/90/173205890.db2.gz KKVUZYASFGXONQ-ZRRUAHMRSA-N 2 1 237.391 1.471 10 0 BDAEMP C[NH2+]CC(C)(C)C[N@H+]1CCCO[C@@H](C)C1 ZINC000061934218 173335814 /nfs/dbraw/zinc/33/58/14/173335814.db2.gz ZIVHIKJUPATNFF-NSHDSACASA-N 2 1 214.353 1.343 10 0 BDAEMP C[NH2+]CCNCCC[N@H+]1CCCC[C@@H]1C ZINC000049477757 173356345 /nfs/dbraw/zinc/35/63/45/173356345.db2.gz ORIVOTMPOARHED-LBPRGKRZSA-N 2 1 213.369 1.060 10 0 BDAEMP C[NH2+]Cc1cc(C[N@H+]2CCCC[C@@H]2C)on1 ZINC000052378766 173386615 /nfs/dbraw/zinc/38/66/15/173386615.db2.gz NVHNVYNROQZHOZ-JTQLQIEISA-N 2 1 223.320 1.768 10 0 BDAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@@H](C)C2)on1 ZINC000052381331 173387606 /nfs/dbraw/zinc/38/76/06/173387606.db2.gz ZSTAZFXUNAVHCC-SNVBAGLBSA-N 2 1 223.320 1.626 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCC[C@H]1C ZINC000052375683 173391654 /nfs/dbraw/zinc/39/16/54/173391654.db2.gz NCFAJKCILUCUCH-SNVBAGLBSA-N 2 1 208.305 1.983 10 0 BDAEMP C[NH2+]Cc1coc(C[N@H+]2CCC[C@H]2C)c1 ZINC000052375969 173392841 /nfs/dbraw/zinc/39/28/41/173392841.db2.gz ITNRIXKZYUNSGT-SNVBAGLBSA-N 2 1 208.305 1.983 10 0 BDAEMP C[NH2+]Cc1nc(C(C)C)ncc1-n1cc[nH+]c1C ZINC000051491186 173394825 /nfs/dbraw/zinc/39/48/25/173394825.db2.gz PKGRUYKXYOWGBU-UHFFFAOYSA-N 2 1 245.330 1.814 10 0 BDAEMP C[NH2+]Cc1occc1Cn1c[nH+]c(C)c1C ZINC000052593508 173399996 /nfs/dbraw/zinc/39/99/96/173399996.db2.gz ZGFWFKADNFIBDO-UHFFFAOYSA-N 2 1 219.288 1.861 10 0 BDAEMP COC1CC[NH+]([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590027 174031863 /nfs/dbraw/zinc/03/18/63/174031863.db2.gz XXYMZUOWXLNSMJ-LBPRGKRZSA-N 2 1 244.404 1.322 10 0 BDAEMP COCCC[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049665796 174229284 /nfs/dbraw/zinc/22/92/84/174229284.db2.gz IFFBBJFVFTZXDA-NSHDSACASA-N 2 1 200.326 1.097 10 0 BDAEMP COCC[N@@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000042517607 174284923 /nfs/dbraw/zinc/28/49/23/174284923.db2.gz WYMOZTQVCJPNFN-OUCADQQQSA-N 2 1 240.391 1.861 10 0 BDAEMP COCC[N@H+](Cc1ccc(C[NH3+])o1)CC(C)C ZINC000052508538 174299828 /nfs/dbraw/zinc/29/98/28/174299828.db2.gz KTYSPZXGCMIJGQ-UHFFFAOYSA-N 2 1 240.347 1.843 10 0 BDAEMP COCC[N@H+]([C@H](C)COC)[C@@](C)(C[NH3+])C1CC1 ZINC000042602976 174301914 /nfs/dbraw/zinc/30/19/14/174301914.db2.gz JJJVQZPCZWMEIC-YPMHNXCESA-N 2 1 244.379 1.097 10 0 BDAEMP CCC[N@@H+](CC)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000225814026 487629739 /nfs/dbraw/zinc/62/97/39/487629739.db2.gz ZSCFDTKOADWCCF-LBPRGKRZSA-N 2 1 243.395 1.208 10 0 BDAEMP COc1ccc(CC[N@@H+](C)[C@@H](C)CC[NH3+])cc1 ZINC000049828327 175090220 /nfs/dbraw/zinc/09/02/20/175090220.db2.gz JWVDYZVTUDROAW-LBPRGKRZSA-N 2 1 236.359 1.907 10 0 BDAEMP COc1ccccc1CC[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000071563467 175323007 /nfs/dbraw/zinc/32/30/07/175323007.db2.gz VUHIKFDHCQQZKT-CYBMUJFWSA-N 2 1 248.370 1.779 10 0 BDAEMP COc1ccccc1CC[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000071563467 175323008 /nfs/dbraw/zinc/32/30/08/175323008.db2.gz VUHIKFDHCQQZKT-CYBMUJFWSA-N 2 1 248.370 1.779 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061274900 176070227 /nfs/dbraw/zinc/07/02/27/176070227.db2.gz HVCVCOKHFXGETA-CYBMUJFWSA-N 2 1 225.380 1.156 10 0 BDAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052180811 176096840 /nfs/dbraw/zinc/09/68/40/176096840.db2.gz RVCRBVMDMHDAMF-GFCCVEGCSA-N 2 1 226.364 1.474 10 0 BDAEMP C[C@@H]1CCC[N@@H+](CCN2CCC[NH2+]CC2)C1 ZINC000061274907 176098912 /nfs/dbraw/zinc/09/89/12/176098912.db2.gz GAPMQEFSYUXPQF-CYBMUJFWSA-N 2 1 225.380 1.014 10 0 BDAEMP C[C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000049666476 176172972 /nfs/dbraw/zinc/17/29/72/176172972.db2.gz GVICWVDNKZFEIQ-CHWSQXEVSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@@H]1C[N@H+](CC(C)(C)C[NH3+])[C@H](C)CO1 ZINC000051216936 176285008 /nfs/dbraw/zinc/28/50/08/176285008.db2.gz AJBBGKDSFRPANV-NXEZZACHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH3+])[C@H](C)CO1 ZINC000051216936 176285010 /nfs/dbraw/zinc/28/50/10/176285010.db2.gz AJBBGKDSFRPANV-NXEZZACHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CCc1ccncc1 ZINC000104213283 176328474 /nfs/dbraw/zinc/32/84/74/176328474.db2.gz CNVIXQOSBMARIA-TZMCWYRMSA-N 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KCEQRNYKPKXIKU-LDYMZIIASA-N 2 1 225.292 1.033 10 0 BDAEMP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000094085820 644708433 /nfs/dbraw/zinc/70/84/33/644708433.db2.gz FKOXXKHMPFMPAJ-RYUDHWBXSA-N 2 1 236.363 1.249 10 0 BDAEMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000250829880 644782678 /nfs/dbraw/zinc/78/26/78/644782678.db2.gz IRCGTRALIPHMPV-NWDGAFQWSA-N 2 1 212.337 1.369 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000250889817 644785839 /nfs/dbraw/zinc/78/58/39/644785839.db2.gz XKKIOZKOSJJZMQ-CRWXNKLISA-N 2 1 238.375 1.757 10 0 BDAEMP CC[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251917076 644830935 /nfs/dbraw/zinc/83/09/35/644830935.db2.gz YEBJTXUOXGBRBZ-IJLUTSLNSA-N 2 1 212.337 1.225 10 0 BDAEMP COC[C@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)C(C)C ZINC000721909660 711814621 /nfs/dbraw/zinc/81/46/21/711814621.db2.gz AZZFHHYXGUPTRB-WOPDTQHZSA-N 2 1 214.353 1.184 10 0 BDAEMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@H]2CCC[NH2+]CC2)C1 ZINC000721925919 710692776 /nfs/dbraw/zinc/69/27/76/710692776.db2.gz BQECTJHTKGLTDD-RWMBFGLXSA-N 2 1 226.364 1.485 10 0 BDAEMP C[C@@H]1CC(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)O1 ZINC000724303890 710737556 /nfs/dbraw/zinc/73/75/56/710737556.db2.gz OSBXQUZKIXUQLA-HKUMRIAESA-N 2 1 240.391 1.920 10 0 BDAEMP Cc1cc(C)nc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000723879814 711542241 /nfs/dbraw/zinc/54/22/41/711542241.db2.gz SZBTZKIPEURQHQ-AAEUAGOBSA-N 2 1 233.359 1.725 10 0 BDAEMP Cc1cc(C)nc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000723879817 711542390 /nfs/dbraw/zinc/54/23/90/711542390.db2.gz SZBTZKIPEURQHQ-WCQYABFASA-N 2 1 233.359 1.725 10 0 BDAEMP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000724073870 711559213 /nfs/dbraw/zinc/55/92/13/711559213.db2.gz QPTHYTNFYIKCEM-CHWSQXEVSA-N 2 1 233.359 1.786 10 0 BDAEMP C[C@H]1C[N@@H+](CCSC(F)(F)F)C[C@@H]1C[NH3+] ZINC000708862200 712201302 /nfs/dbraw/zinc/20/13/02/712201302.db2.gz NLCMCBPIMONZPK-YUMQZZPRSA-N 2 1 242.310 1.766 10 0 BDAEMP C[N@H+]1CCN(C[C@H]2CCC[NH2+]C2)CCC1(C)C ZINC000712606279 712436874 /nfs/dbraw/zinc/43/68/74/712436874.db2.gz VHDQQWCCCZTFKG-ZDUSSCGKSA-N 2 1 239.407 1.402 10 0 BDAEMP CC1(C[NH2+][C@@H]2CC[NH2+]C2)CC(F)(F)C1 ZINC000720465240 712844996 /nfs/dbraw/zinc/84/49/96/712844996.db2.gz LVZQUMHXBUTNGT-MRVPVSSYSA-N 2 1 204.264 1.373 10 0 BDAEMP Cc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c(F)c1 ZINC000685965808 538911931 /nfs/dbraw/zinc/91/19/31/538911931.db2.gz UHQDNIUUROVBIT-PWSUYJOCSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1cc(F)c([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1F ZINC000685965391 538912010 /nfs/dbraw/zinc/91/20/10/538912010.db2.gz CEXXPLQZQWJIBG-JOYOIKCWSA-N 2 1 226.270 1.677 10 0 BDAEMP CC(C)[C@H]1CN(C2CC[NH2+]CC2)CC[N@H+]1C ZINC000199442977 398191898 /nfs/dbraw/zinc/19/18/98/398191898.db2.gz KQNAVANFSQEZIR-CYBMUJFWSA-N 2 1 225.380 1.010 10 0 BDAEMP Cc1cc(N(C)C(C)(C)C[NH3+])nc(C)[nH+]1 ZINC000082640814 178093723 /nfs/dbraw/zinc/09/37/23/178093723.db2.gz MLHUGFLEJUVDTN-UHFFFAOYSA-N 2 1 208.309 1.267 10 0 BDAEMP C[N@@H+](CCc1cn[nH]c1)[C@H]1CCC[NH2+]CC1 ZINC000380960517 398215094 /nfs/dbraw/zinc/21/50/94/398215094.db2.gz APPHLLWUGQOCCD-LBPRGKRZSA-N 2 1 222.336 1.026 10 0 BDAEMP Cc1ccc2c(c1)C[N@@H+](CCC[NH3+])CCO2 ZINC000213741225 349517644 /nfs/dbraw/zinc/51/76/44/349517644.db2.gz AUGTXAHSGJWRMA-UHFFFAOYSA-N 2 1 220.316 1.538 10 0 BDAEMP Cc1ccc2c(c1)C[N@H+](CCC[NH3+])CCO2 ZINC000213741225 349517645 /nfs/dbraw/zinc/51/76/45/349517645.db2.gz AUGTXAHSGJWRMA-UHFFFAOYSA-N 2 1 220.316 1.538 10 0 BDAEMP Cc1cc(N[C@H]2CCCC[C@H]2[NH3+])nc(C)[nH+]1 ZINC000038050689 178189175 /nfs/dbraw/zinc/18/91/75/178189175.db2.gz WXSASFGPYBAMHA-MNOVXSKESA-N 2 1 220.320 1.775 10 0 BDAEMP CCSCC[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000366749659 398248979 /nfs/dbraw/zinc/24/89/79/398248979.db2.gz ZZVJGWZHWPEADZ-NSHDSACASA-N 2 1 239.388 1.788 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)[C@H]1C ZINC000381045467 398252445 /nfs/dbraw/zinc/25/24/45/398252445.db2.gz DCXPWKYKDLBHHM-MDZLAQPJSA-N 2 1 226.364 1.077 10 0 BDAEMP CC1(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000381763568 346840629 /nfs/dbraw/zinc/84/06/29/346840629.db2.gz UQBNAUVMSIZOHI-LLVKDONJSA-N 2 1 219.332 1.835 10 0 BDAEMP CCC(CC)NC(=O)C[N@H+](CC)C[C@H](C)C[NH3+] ZINC000042443256 168377843 /nfs/dbraw/zinc/37/78/43/168377843.db2.gz IFUHTZPTDYGBQI-LLVKDONJSA-N 2 1 243.395 1.208 10 0 BDAEMP CCC(CC)NC(=O)C[N@@H+](CC)C[C@H](C)C[NH3+] ZINC000042443256 168377844 /nfs/dbraw/zinc/37/78/44/168377844.db2.gz IFUHTZPTDYGBQI-LLVKDONJSA-N 2 1 243.395 1.208 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631838657 398285437 /nfs/dbraw/zinc/28/54/37/398285437.db2.gz SKNUIMHOZGJYME-AAEUAGOBSA-N 2 1 234.343 1.722 10 0 BDAEMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000390441464 539021573 /nfs/dbraw/zinc/02/15/73/539021573.db2.gz VRNHBXFMCWGAIV-IJLUTSLNSA-N 2 1 219.332 1.691 10 0 BDAEMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000390441463 539021745 /nfs/dbraw/zinc/02/17/45/539021745.db2.gz VRNHBXFMCWGAIV-GRYCIOLGSA-N 2 1 219.332 1.691 10 0 BDAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CCCSCC1 ZINC000228595332 398325041 /nfs/dbraw/zinc/32/50/41/398325041.db2.gz SXFQBZGVQPHRCJ-UWVGGRQHSA-N 2 1 202.367 1.409 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400393080 529690627 /nfs/dbraw/zinc/69/06/27/529690627.db2.gz NTKNEXPYMQGAAT-XQQFMLRXSA-N 2 1 227.396 1.304 10 0 BDAEMP C[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041047202 343413317 /nfs/dbraw/zinc/41/33/17/343413317.db2.gz YYZORSJIGXJVRI-LOWVWBTDSA-N 2 1 208.349 1.859 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C[Si](C)(C)C ZINC000401837785 343733629 /nfs/dbraw/zinc/73/36/29/343733629.db2.gz FSRRWKNZONWOPL-VHSXEESVSA-N 2 1 200.402 1.675 10 0 BDAEMP NCC[N@@H+]1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409429592 343806012 /nfs/dbraw/zinc/80/60/12/343806012.db2.gz OTQJLZQOJWJNRS-BDAKNGLRSA-N 2 1 204.264 1.312 10 0 BDAEMP CCOC[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409430207 343807730 /nfs/dbraw/zinc/80/77/30/343807730.db2.gz QBPHIXUSFSQTRL-GFCCVEGCSA-N 2 1 226.364 1.487 10 0 BDAEMP C[C@H]1C[C@H](N)C[N@@H+](C[Si](C)(C)C)C1 ZINC000401868957 343917099 /nfs/dbraw/zinc/91/70/99/343917099.db2.gz VBSWPIJILSGIHJ-UWVGGRQHSA-N 2 1 200.402 1.533 10 0 BDAEMP CC[C@](C)([NH3+])C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000226694449 344137883 /nfs/dbraw/zinc/13/78/83/344137883.db2.gz JAZZDWVEHNCJDY-DCAQKATOSA-N 2 1 216.394 1.940 10 0 BDAEMP COCc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000634999507 345200574 /nfs/dbraw/zinc/20/05/74/345200574.db2.gz VPFLZGYKTDLLKJ-MNOVXSKESA-N 2 1 238.331 1.453 10 0 BDAEMP C[C@@H]1CCC[N@@H+](Cc2cncc(C[NH3+])c2)C1 ZINC000669379141 537976000 /nfs/dbraw/zinc/97/60/00/537976000.db2.gz UFJIJZHNIIKZLV-LLVKDONJSA-N 2 1 219.332 1.772 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCSC1 ZINC000250436740 362804747 /nfs/dbraw/zinc/80/47/47/362804747.db2.gz SENSVPLMHMUQQO-MXWKQRLJSA-N 2 1 214.378 1.551 10 0 BDAEMP COc1ccc(CC[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC000049660993 187435605 /nfs/dbraw/zinc/43/56/05/187435605.db2.gz RGCAVWRTYFPLSD-ZDUSSCGKSA-N 2 1 248.370 1.922 10 0 BDAEMP COc1ccc(CC[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC000049660993 187435606 /nfs/dbraw/zinc/43/56/06/187435606.db2.gz RGCAVWRTYFPLSD-ZDUSSCGKSA-N 2 1 248.370 1.922 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1F ZINC000043046113 180270928 /nfs/dbraw/zinc/27/09/28/180270928.db2.gz LDEMYHSPVDZGLB-LBPRGKRZSA-N 2 1 219.263 1.879 10 0 BDAEMP Cc1[nH+]ccn1[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043341297 180271415 /nfs/dbraw/zinc/27/14/15/180271415.db2.gz ZSUKPMAXDXATKC-CABZTGNLSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]cn([C@@H](c2cnn(C)c2)[C@H](C)[NH3+])c1C ZINC000051925763 180290095 /nfs/dbraw/zinc/29/00/95/180290095.db2.gz LVJAJKGQJFBQTJ-QPUJVOFHSA-N 2 1 233.319 1.170 10 0 BDAEMP C[C@H]([NH3+])CCNc1[nH]c2ccccc2[nH+]1 ZINC000063171564 350574409 /nfs/dbraw/zinc/57/44/09/350574409.db2.gz OLLSBEZDAABMFQ-QMMMGPOBSA-N 2 1 204.277 1.712 10 0 BDAEMP C[C@@H]1CCSCC[N@H+]1C1CC([NH3+])C1 ZINC000306754708 350967107 /nfs/dbraw/zinc/96/71/07/350967107.db2.gz MWVVQIKDTDIVPR-XNWIYYODSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H](OCC[N@@H+](C)Cc1ccccc1)C(N)=[NH2+] ZINC000306758920 350969783 /nfs/dbraw/zinc/96/97/83/350969783.db2.gz UTVPJESRWAVGSP-LLVKDONJSA-N 2 1 235.331 1.459 10 0 BDAEMP Brc1c[nH+]ccc1NC1C[NH2+]C1 ZINC000159912344 351026651 /nfs/dbraw/zinc/02/66/51/351026651.db2.gz ILVFRKAYQMLDOD-UHFFFAOYSA-N 2 1 228.093 1.228 10 0 BDAEMP CCc1nc(N[C@H](C)CCCC[NH3+])cc(C)[nH+]1 ZINC000336722933 351234232 /nfs/dbraw/zinc/23/42/32/351234232.db2.gz TXWZFWAIPIJYIV-SNVBAGLBSA-N 2 1 236.363 1.699 10 0 BDAEMP C[C@@H]1CCC[N@@H+](C2(C[NH3+])CSC2)[C@H]1C ZINC000306903322 351317920 /nfs/dbraw/zinc/31/79/20/351317920.db2.gz ISTOJIOEHIWJOI-ZJUUUORDSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1CCC[N@H+](C2(C[NH3+])CSC2)[C@H]1C ZINC000306903322 351317921 /nfs/dbraw/zinc/31/79/21/351317921.db2.gz ISTOJIOEHIWJOI-ZJUUUORDSA-N 2 1 214.378 1.551 10 0 BDAEMP COc1cc(OC)cc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000725268155 538100163 /nfs/dbraw/zinc/10/01/63/538100163.db2.gz FIHJVGPIOGDBOE-STQMWFEESA-N 2 1 236.315 1.108 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC000306979113 351397241 /nfs/dbraw/zinc/39/72/41/351397241.db2.gz ORMROXDLRJQRDM-LOPNNAOWSA-N 2 1 200.713 1.408 10 0 BDAEMP C[N@@H+](C1CSC1)[C@H]1CCC[NH2+]CC1 ZINC000307092025 351473503 /nfs/dbraw/zinc/47/35/03/351473503.db2.gz RMZLTJLQJVJFPO-VIFPVBQESA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCSC2)C[NH2+]1 ZINC000307190981 351592606 /nfs/dbraw/zinc/59/26/06/351592606.db2.gz AEGZRYVVCSJTFX-OPRDCNLKSA-N 2 1 200.351 1.222 10 0 BDAEMP CS[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000307232741 351687773 /nfs/dbraw/zinc/68/77/73/351687773.db2.gz DQXNRFBMLKMPRB-JTQLQIEISA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+](C)C(C)(C)C[NH3+])[C@H](C)O1 ZINC000307253252 351779911 /nfs/dbraw/zinc/77/99/11/351779911.db2.gz UXJNDVBOPJZTNL-UTLUCORTSA-N 2 1 200.326 1.221 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+](C)C(C)(C)C[NH3+])[C@H](C)O1 ZINC000307253252 351779913 /nfs/dbraw/zinc/77/99/13/351779913.db2.gz UXJNDVBOPJZTNL-UTLUCORTSA-N 2 1 200.326 1.221 10 0 BDAEMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CSC1 ZINC000307296364 351906055 /nfs/dbraw/zinc/90/60/55/351906055.db2.gz QSAJMHOYONZMBX-SCZZXKLOSA-N 2 1 200.351 1.032 10 0 BDAEMP COC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250363738 363116793 /nfs/dbraw/zinc/11/67/93/363116793.db2.gz HYFRLDBVZDXQQU-VXGBXAGGSA-N 2 1 240.347 1.014 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]CC[C@@H]1c1c(F)cccc1Cl ZINC000725270049 538102123 /nfs/dbraw/zinc/10/21/23/538102123.db2.gz DMHRTMBADXCUHQ-OIBJUYFYSA-N 2 1 228.698 1.883 10 0 BDAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)[C@@H](C)C(C)(C)C ZINC000725272585 538104565 /nfs/dbraw/zinc/10/45/65/538104565.db2.gz QJLXOGWTYUWCLY-SNVBAGLBSA-N 2 1 239.363 1.519 10 0 BDAEMP CC[N@@H+](CC(C)C)C1CCN(CC[NH3+])CC1 ZINC000725273794 538104773 /nfs/dbraw/zinc/10/47/73/538104773.db2.gz HEKBLRMHDZKROD-UHFFFAOYSA-N 2 1 227.396 1.387 10 0 BDAEMP C[C@@H]1COCC[C@@]1(C[NH3+])[NH2+]Cc1ccccc1 ZINC000307615750 352674456 /nfs/dbraw/zinc/67/44/56/352674456.db2.gz QWLHZIJNGVUXMP-OCCSQVGLSA-N 2 1 234.343 1.530 10 0 BDAEMP C[C@@H]1C[C@H](NC(N)=[NH2+])C[N@H+]1Cc1ccccc1 ZINC000307693608 352964857 /nfs/dbraw/zinc/96/48/57/352964857.db2.gz XHWQSATTWAFOOF-PWSUYJOCSA-N 2 1 232.331 1.132 10 0 BDAEMP CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380827 188060657 /nfs/dbraw/zinc/06/06/57/188060657.db2.gz RPUZZACYCIWUJL-GFCCVEGCSA-N 2 1 241.379 1.057 10 0 BDAEMP CC(C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380827 188060658 /nfs/dbraw/zinc/06/06/58/188060658.db2.gz RPUZZACYCIWUJL-GFCCVEGCSA-N 2 1 241.379 1.057 10 0 BDAEMP CC(C)N1CC[NH+](Cc2ccccc2C[NH3+])CC1 ZINC000036170606 188112348 /nfs/dbraw/zinc/11/23/48/188112348.db2.gz GAPZAOFEXDKDHC-UHFFFAOYSA-N 2 1 247.386 1.671 10 0 BDAEMP C1C[NH2+][C@@H]([C@H]2CCC[N@H+](C3CCOCC3)C2)C1 ZINC000037916573 188115241 /nfs/dbraw/zinc/11/52/41/188115241.db2.gz PBTCLTWLCMQYDC-GXTWGEPZSA-N 2 1 238.375 1.629 10 0 BDAEMP Cc1ccc(NCC2CC[NH2+]CC2)[nH+]c1 ZINC000044509233 188123845 /nfs/dbraw/zinc/12/38/45/188123845.db2.gz PTBQTJYYISJRRN-UHFFFAOYSA-N 2 1 205.305 1.802 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](CCc2ccccn2)[C@@H](C)C1 ZINC000049712390 188125776 /nfs/dbraw/zinc/12/57/76/188125776.db2.gz IWQDMUUDJOZOGB-GXTWGEPZSA-N 2 1 233.359 1.696 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2ccccn2)[C@@H](C)C1 ZINC000049712390 188125778 /nfs/dbraw/zinc/12/57/78/188125778.db2.gz IWQDMUUDJOZOGB-GXTWGEPZSA-N 2 1 233.359 1.696 10 0 BDAEMP C(C[C@@H]1CCC[NH2+]1)CN1CC[NH+](C2CC2)CC1 ZINC000052764443 188126172 /nfs/dbraw/zinc/12/61/72/188126172.db2.gz HOSYVARVMJYRBB-ZDUSSCGKSA-N 2 1 237.391 1.299 10 0 BDAEMP CCCC[N@H+]1CC[C@@H](CCN2CC[NH2+]CC2)C1 ZINC000077385055 188136395 /nfs/dbraw/zinc/13/63/95/188136395.db2.gz JAMJMWFPJCHDFH-CQSZACIVSA-N 2 1 239.407 1.404 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420296786 192205837 /nfs/dbraw/zinc/20/58/37/192205837.db2.gz DWUOIMBEPWCZML-GRYCIOLGSA-N 2 1 212.337 1.095 10 0 BDAEMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000675060020 538484927 /nfs/dbraw/zinc/48/49/27/538484927.db2.gz ZOMKCXCEZQCAII-RVMXOQNASA-N 2 1 226.364 1.613 10 0 BDAEMP [NH3+][C@H]1C=C(C[C@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675079003 538517122 /nfs/dbraw/zinc/51/71/22/538517122.db2.gz URNNAOKQCKSRIQ-ZJUUUORDSA-N 2 1 216.275 1.669 10 0 BDAEMP CCOC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000389568225 356992517 /nfs/dbraw/zinc/99/25/17/356992517.db2.gz ASIJJRDFRXWWHR-GRYCIOLGSA-N 2 1 214.353 1.328 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH2+]CC1 ZINC000389708102 357017943 /nfs/dbraw/zinc/01/79/43/357017943.db2.gz LKISYAXERJLSAG-LLVKDONJSA-N 2 1 213.369 1.057 10 0 BDAEMP CCc1nc(N[C@H](C)CCC[NH3+])cc(C)[nH+]1 ZINC000304357855 357164102 /nfs/dbraw/zinc/16/41/02/357164102.db2.gz RPMQFUWRSDWDCE-SECBINFHSA-N 2 1 222.336 1.887 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@H+]1C ZINC000303392603 491114945 /nfs/dbraw/zinc/11/49/45/491114945.db2.gz CVOBEPYWGUCVMW-IJLUTSLNSA-N 2 1 228.380 1.466 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 ZINC000300351525 358970873 /nfs/dbraw/zinc/97/08/73/358970873.db2.gz BESFMCGULWDRIF-IVZWLZJFSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CSC[C@H]2C)C[C@@H]1[NH3+] ZINC000306191971 359019561 /nfs/dbraw/zinc/01/95/61/359019561.db2.gz PUGSWBZRHQSBHM-DOLQZWNJSA-N 2 1 200.351 1.017 10 0 BDAEMP C[C@H]1CSC[C@H]1[N@H+]1CCC[NH2+]CC1 ZINC000306229950 359364204 /nfs/dbraw/zinc/36/42/04/359364204.db2.gz KHFQOBTXQCZNFE-VHSXEESVSA-N 2 1 200.351 1.033 10 0 BDAEMP CNC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000306395371 359760536 /nfs/dbraw/zinc/76/05/36/359760536.db2.gz JKGJRRSDMLPART-DGCLKSJQSA-N 2 1 246.358 1.393 10 0 BDAEMP CC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306416168 359825128 /nfs/dbraw/zinc/82/51/28/359825128.db2.gz QMSJYPDNODVAMN-ZDUSSCGKSA-N 2 1 217.316 1.848 10 0 BDAEMP CC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000306416168 359825132 /nfs/dbraw/zinc/82/51/32/359825132.db2.gz QMSJYPDNODVAMN-ZDUSSCGKSA-N 2 1 217.316 1.848 10 0 BDAEMP CC(C)[C@@H]1C[N@@H+]([C@H](C)CN)CCCO1 ZINC000306469164 360084303 /nfs/dbraw/zinc/08/43/03/360084303.db2.gz OXYZFDSZLTTWGM-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H]1C[N@H+]([C@H](C)CN)CCCO1 ZINC000306469164 360084306 /nfs/dbraw/zinc/08/43/06/360084306.db2.gz OXYZFDSZLTTWGM-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H]1C[N@@H+]([C@H](C)C[NH3+])CCCO1 ZINC000306469164 360084308 /nfs/dbraw/zinc/08/43/08/360084308.db2.gz OXYZFDSZLTTWGM-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H]1C[N@H+]([C@H](C)C[NH3+])CCCO1 ZINC000306469164 360084310 /nfs/dbraw/zinc/08/43/10/360084310.db2.gz OXYZFDSZLTTWGM-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000094075641 360295428 /nfs/dbraw/zinc/29/54/28/360295428.db2.gz FEMUWDVXGVTFKZ-CQSZACIVSA-N 2 1 245.370 1.391 10 0 BDAEMP CC[C@](C)([C@H](C)[NH3+])[N@H+]1CCSC[C@H]1C ZINC000306602765 360528865 /nfs/dbraw/zinc/52/88/65/360528865.db2.gz WJHPXLCMENZPCW-OUAUKWLOSA-N 2 1 216.394 1.940 10 0 BDAEMP CC(C)[C@@H]([NH3+])C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000069910069 361016913 /nfs/dbraw/zinc/01/69/13/361016913.db2.gz IIPXAMNNZDPWTK-MXWKQRLJSA-N 2 1 216.394 1.796 10 0 BDAEMP C[C@@H]1C[N@H+](CC2(C)C[NH2+]C2)CCS1 ZINC000306631867 361363213 /nfs/dbraw/zinc/36/32/13/361363213.db2.gz DSDCMYSPNIAGPK-SECBINFHSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2(C)C[NH2+]C2)CCS1 ZINC000306631867 361363218 /nfs/dbraw/zinc/36/32/18/361363218.db2.gz DSDCMYSPNIAGPK-SECBINFHSA-N 2 1 200.351 1.033 10 0 BDAEMP CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309813472 491157075 /nfs/dbraw/zinc/15/70/75/491157075.db2.gz UTSHNKRRTPXIKR-QWRGUYRKSA-N 2 1 219.332 1.976 10 0 BDAEMP CO[C@H]1C[N@@H+](CC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630364728 364083385 /nfs/dbraw/zinc/08/33/85/364083385.db2.gz SIXDZFRNQORNAV-CHWSQXEVSA-N 2 1 226.364 1.615 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCCC[C@H]2CO)CCCC1 ZINC000051256740 181358487 /nfs/dbraw/zinc/35/84/87/181358487.db2.gz TZRTZRWBGWLNSW-LBPRGKRZSA-N 2 1 226.364 1.352 10 0 BDAEMP NCC1([N@H+]2C[C@H]3CC[C@@H]2C3)Cc2ccccc2C1 ZINC000049716015 181360569 /nfs/dbraw/zinc/36/05/69/181360569.db2.gz WJYCKMVUHUINFB-SWLSCSKDSA-N 2 1 242.366 1.967 10 0 BDAEMP [NH3+]CC1([N@@H+]2C[C@H]3CC[C@@H]2C3)Cc2ccccc2C1 ZINC000049716015 181360571 /nfs/dbraw/zinc/36/05/71/181360571.db2.gz WJYCKMVUHUINFB-SWLSCSKDSA-N 2 1 242.366 1.967 10 0 BDAEMP [NH3+]CC1([N@H+]2C[C@H]3CC[C@@H]2C3)Cc2ccccc2C1 ZINC000049716015 181360572 /nfs/dbraw/zinc/36/05/72/181360572.db2.gz WJYCKMVUHUINFB-SWLSCSKDSA-N 2 1 242.366 1.967 10 0 BDAEMP Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630565862 364263789 /nfs/dbraw/zinc/26/37/89/364263789.db2.gz AMAYVGVZRDKJBU-KWQFWETISA-N 2 1 220.320 1.124 10 0 BDAEMP CCc1nc(N2C[C@H](C)[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000630569961 364265751 /nfs/dbraw/zinc/26/57/51/364265751.db2.gz LFUXLFNZHUTKTN-GXSJLCMTSA-N 2 1 234.347 1.378 10 0 BDAEMP Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)nc(C)[nH+]1 ZINC000630533342 364224982 /nfs/dbraw/zinc/22/49/82/364224982.db2.gz CDAJVRXHSPRHFR-KWQFWETISA-N 2 1 220.320 1.646 10 0 BDAEMP CCc1nc(N[C@H]2CC[C@@H](C)[NH2+]C2)cc(C)[nH+]1 ZINC000630535251 364229724 /nfs/dbraw/zinc/22/97/24/364229724.db2.gz SLXMVFPVYIMEJG-KOLCDFICSA-N 2 1 234.347 1.322 10 0 BDAEMP Cc1cc[nH+]c(N[C@@H](CC[NH3+])C(F)F)c1 ZINC000383531373 367634923 /nfs/dbraw/zinc/63/49/23/367634923.db2.gz ZAGJXIFKTDWRIY-QMMMGPOBSA-N 2 1 215.247 1.784 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@H]2CCC[C@@H]2[NH3+])CCS1 ZINC000252979838 368176765 /nfs/dbraw/zinc/17/67/65/368176765.db2.gz JRXRBAVALWAJLX-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CCC[C@@H]2[NH3+])CCS1 ZINC000252979838 368176772 /nfs/dbraw/zinc/17/67/72/368176772.db2.gz JRXRBAVALWAJLX-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[N@@H+]([C@](C)(C[NH3+])C2CC2)CCS1 ZINC000252980007 368176805 /nfs/dbraw/zinc/17/68/05/368176805.db2.gz KJAZABMGTKFCCB-GXSJLCMTSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@H]1C[N@H+]([C@](C)(C[NH3+])C2CC2)CCS1 ZINC000252980007 368176810 /nfs/dbraw/zinc/17/68/10/368176810.db2.gz KJAZABMGTKFCCB-GXSJLCMTSA-N 2 1 214.378 1.551 10 0 BDAEMP Cn1c2ccccc2[nH+]c1NCC1CC[NH2+]CC1 ZINC000079047931 368466418 /nfs/dbraw/zinc/46/64/18/368466418.db2.gz CHYZQTSXFPRYSJ-UHFFFAOYSA-N 2 1 244.342 1.985 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1C[NH3+] ZINC000631836572 369077749 /nfs/dbraw/zinc/07/77/49/369077749.db2.gz BRMDMPLBFBSPFJ-POQQGIQPSA-N 2 1 222.376 1.949 10 0 BDAEMP CC[C@](C)([NH3+])C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000132460837 371828200 /nfs/dbraw/zinc/82/82/00/371828200.db2.gz WVHZUMUUVYXTNU-AXFHLTTASA-N 2 1 216.394 1.940 10 0 BDAEMP CC[C@](C)([NH3+])C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000132460837 371828207 /nfs/dbraw/zinc/82/82/07/371828207.db2.gz WVHZUMUUVYXTNU-AXFHLTTASA-N 2 1 216.394 1.940 10 0 BDAEMP C[C@@H]1SCC[N@@H+](CC(C)(C)C[NH3+])[C@H]1C ZINC000132516681 371847057 /nfs/dbraw/zinc/84/70/57/371847057.db2.gz IMUVDYHGCWHFGV-UWVGGRQHSA-N 2 1 216.394 1.797 10 0 BDAEMP CO[C@@]1(C)CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000230270893 371880204 /nfs/dbraw/zinc/88/02/04/371880204.db2.gz DFFSWTFVAMZSRZ-NSHDSACASA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@@H]1C[N@H+](CCC(C)(C)[NH3+])[C@@H](C)CO1 ZINC000217447834 371956820 /nfs/dbraw/zinc/95/68/20/371956820.db2.gz GSQRFGGHBVHVGL-VHSXEESVSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@@H]1C[N@@H+](CCC(C)(C)[NH3+])[C@@H](C)CO1 ZINC000217447834 371956822 /nfs/dbraw/zinc/95/68/22/371956822.db2.gz GSQRFGGHBVHVGL-VHSXEESVSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@H](C[NH3+])C[N@H+]1CCSC(C)(C)C1 ZINC000133276483 372017651 /nfs/dbraw/zinc/01/76/51/372017651.db2.gz FEWVIRLUUBVGRT-SECBINFHSA-N 2 1 202.367 1.409 10 0 BDAEMP C[C@@H]1CCSCC[N@@H+]1C1(C[NH3+])CC1 ZINC000307456294 372122241 /nfs/dbraw/zinc/12/22/41/372122241.db2.gz FOXSVPCMMYPHOH-SECBINFHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CCSCC[N@H+]1C1(C[NH3+])CC1 ZINC000307456294 372122247 /nfs/dbraw/zinc/12/22/47/372122247.db2.gz FOXSVPCMMYPHOH-SECBINFHSA-N 2 1 200.351 1.305 10 0 BDAEMP CC[C@@H]1CC[N@@H+]([C@@]2(C[NH3+])CCSC2)C1 ZINC000228679544 372067295 /nfs/dbraw/zinc/06/72/95/372067295.db2.gz OAHFLOUFYOMSIH-GHMZBOCLSA-N 2 1 214.378 1.553 10 0 BDAEMP CC[C@@H]1CC[N@H+]([C@@]2(C[NH3+])CCSC2)C1 ZINC000228679544 372067299 /nfs/dbraw/zinc/06/72/99/372067299.db2.gz OAHFLOUFYOMSIH-GHMZBOCLSA-N 2 1 214.378 1.553 10 0 BDAEMP C([C@H]1CSCCS1)[N@@H+]1CCC[NH2+]CC1 ZINC000229652286 372177333 /nfs/dbraw/zinc/17/73/33/372177333.db2.gz SSZKAYMTGOLEAW-JTQLQIEISA-N 2 1 232.418 1.130 10 0 BDAEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631837335 372627680 /nfs/dbraw/zinc/62/76/80/372627680.db2.gz RBPUEPRHFAUDMV-GWCFXTLKSA-N 2 1 219.332 1.417 10 0 BDAEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000631837515 372628020 /nfs/dbraw/zinc/62/80/20/372628020.db2.gz CEWDDEQFVRYMPW-RYUDHWBXSA-N 2 1 219.332 1.417 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000631837793 372629159 /nfs/dbraw/zinc/62/91/59/372629159.db2.gz WYEZSTRLFDTPHY-VWYCJHECSA-N 2 1 232.318 1.948 10 0 BDAEMP Cc1cccnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837907 372629608 /nfs/dbraw/zinc/62/96/08/372629608.db2.gz GWVZTWXXGJBIBZ-VXGBXAGGSA-N 2 1 219.332 1.417 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000631842403 372641148 /nfs/dbraw/zinc/64/11/48/372641148.db2.gz ZYRYLCZVTVMORK-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000631842403 372641153 /nfs/dbraw/zinc/64/11/53/372641153.db2.gz ZYRYLCZVTVMORK-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP [NH3+][C@@H]1CCCCC[C@@H]1[NH+]1CCSCC1 ZINC000040989046 373976949 /nfs/dbraw/zinc/97/69/49/373976949.db2.gz HEGNTSHAFWCHGC-MNOVXSKESA-N 2 1 214.378 1.695 10 0 BDAEMP CCCC[C@H]([NH3+])C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388777 169009136 /nfs/dbraw/zinc/00/91/36/169009136.db2.gz SCJXYVMHNJKDKN-AWEZNQCLSA-N 3 1 241.423 1.778 10 0 BDAEMP CCC[N@H+](C(C)C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305392 169049078 /nfs/dbraw/zinc/04/90/78/169049078.db2.gz BAHNGKGZYRNBMS-WDEREUQCSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC[N@@H+](C(C)C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305392 169049080 /nfs/dbraw/zinc/04/90/80/169049080.db2.gz BAHNGKGZYRNBMS-WDEREUQCSA-N 2 1 200.326 1.223 10 0 BDAEMP O[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096964632 183241298 /nfs/dbraw/zinc/24/12/98/183241298.db2.gz AIBVRLNMXJWLIX-LSDHHAIUSA-N 2 1 246.354 1.233 10 0 BDAEMP CCCN1CC[NH+]([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157877 169205246 /nfs/dbraw/zinc/20/52/46/169205246.db2.gz HLDHSCJGRDNIPD-OLZOCXBDSA-N 2 1 225.380 1.141 10 0 BDAEMP CCC[N@@H+]1CCc2nc([C@H](C)[NH3+])sc2C1 ZINC000041059177 169208062 /nfs/dbraw/zinc/20/80/62/169208062.db2.gz ROWFUNYUPVLIMI-QMMMGPOBSA-N 2 1 225.361 1.931 10 0 BDAEMP CCC[N@H+]1CCc2nc([C@H](C)[NH3+])sc2C1 ZINC000041059177 169208064 /nfs/dbraw/zinc/20/80/64/169208064.db2.gz ROWFUNYUPVLIMI-QMMMGPOBSA-N 2 1 225.361 1.931 10 0 BDAEMP CCC[NH2+]Cc1occc1C[N@@H+](C)CCOC ZINC000052572831 169268992 /nfs/dbraw/zinc/26/89/92/169268992.db2.gz UBUQKNMBTXISAV-UHFFFAOYSA-N 2 1 240.347 1.857 10 0 BDAEMP CCC[C@@H](CN(C)[C@@H]1CCC[N@@H+](C)C1)[NH2+]CC ZINC000053244759 169382780 /nfs/dbraw/zinc/38/27/80/169382780.db2.gz FIBFEIAETJSOKY-UONOGXRCSA-N 2 1 241.423 1.791 10 0 BDAEMP CCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226858806 134370515 /nfs/dbraw/zinc/37/05/15/134370515.db2.gz GLCFWIMRYMAVHS-KBPBESRZSA-N 2 1 239.407 1.402 10 0 BDAEMP CCOCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908718 383921838 /nfs/dbraw/zinc/92/18/38/383921838.db2.gz BOMXMNITEGNHQL-SRVKXCTJSA-N 2 1 214.353 1.341 10 0 BDAEMP Cn1c2ccccc2[nH+]c1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335576305 384337469 /nfs/dbraw/zinc/33/74/69/384337469.db2.gz BDVLRICBUCDOGZ-QWRGUYRKSA-N 2 1 244.342 1.535 10 0 BDAEMP Oc1ccc[nH+]c1NCC1CC[NH2+]CC1 ZINC000095073836 384349945 /nfs/dbraw/zinc/34/99/45/384349945.db2.gz YGFWOARJPNSGBB-UHFFFAOYSA-N 2 1 207.277 1.199 10 0 BDAEMP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)nc1C ZINC000313791490 384658728 /nfs/dbraw/zinc/65/87/28/384658728.db2.gz CTUXXIJXHUTUPQ-ZDUSSCGKSA-N 2 1 233.359 1.930 10 0 BDAEMP [NH3+]C[C@@H]1C[C@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000102132645 384699836 /nfs/dbraw/zinc/69/98/36/384699836.db2.gz SWGYRTDBCKJJOX-QWRGUYRKSA-N 2 1 241.338 1.873 10 0 BDAEMP [NH3+]C[C@@H]1C[C@H]2Cc3c4ccccc4[nH]c3C[N@H+]2C1 ZINC000102132645 384699840 /nfs/dbraw/zinc/69/98/40/384699840.db2.gz SWGYRTDBCKJJOX-QWRGUYRKSA-N 2 1 241.338 1.873 10 0 BDAEMP Cn1c2ccccc2[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000335578769 384932181 /nfs/dbraw/zinc/93/21/81/384932181.db2.gz GSFFXPCOWWJUMF-WDEREUQCSA-N 2 1 244.342 1.677 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]C1CCSCC1)C2 ZINC000377489893 385075070 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C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000120260192 387178725 /nfs/dbraw/zinc/17/87/25/387178725.db2.gz YMSOLVLADSQKEY-FDYHWXHSSA-N 2 1 224.348 1.380 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643464300 387361106 /nfs/dbraw/zinc/36/11/06/387361106.db2.gz UOJSQUIPFZRCNF-BFHYXJOUSA-N 2 1 241.423 1.694 10 0 BDAEMP C[C@H]1C[NH2+][C@@]2(CC[NH2+]C(C)(C)C2)S1 ZINC000575512286 387383086 /nfs/dbraw/zinc/38/30/86/387383086.db2.gz MAEQFNWOKWLNSB-WPRPVWTQSA-N 2 1 200.351 1.570 10 0 BDAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000515516617 387385458 /nfs/dbraw/zinc/38/54/58/387385458.db2.gz AHOUOTHZMUSMAG-KBPBESRZSA-N 3 1 241.423 1.696 10 0 BDAEMP CS[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000575545851 387630827 /nfs/dbraw/zinc/63/08/27/387630827.db2.gz QXNYRCCBVLDIKI-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000575545851 387630832 /nfs/dbraw/zinc/63/08/32/387630832.db2.gz 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CC(C)[N@H+]1CC[C@](C[NH3+])(N2CCCCC2)C1 ZINC000045658405 167027470 /nfs/dbraw/zinc/02/74/70/167027470.db2.gz TUJVHFMVCOTKCI-CYBMUJFWSA-N 2 1 225.380 1.284 10 0 BDAEMP CC(C)OCC[N@H+]1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000053656616 167232482 /nfs/dbraw/zinc/23/24/82/167232482.db2.gz WLZXDPMVWUHWDB-ZDUSSCGKSA-N 2 1 240.391 1.875 10 0 BDAEMP CCc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000088760659 487602897 /nfs/dbraw/zinc/60/28/97/487602897.db2.gz IUGBDBBHGYPWPW-GWCFXTLKSA-N 2 1 248.374 1.911 10 0 BDAEMP Cc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000227200857 487612368 /nfs/dbraw/zinc/61/23/68/487612368.db2.gz CBTHQLFKKDOPOO-BXKDBHETSA-N 2 1 234.347 1.657 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CC[NH+](C)CC1 ZINC000396444683 410883684 /nfs/dbraw/zinc/88/36/84/410883684.db2.gz CMDXBIRJHVGXHJ-SCRDCRAPSA-N 3 1 239.407 1.447 10 0 BDAEMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000396697814 410896366 /nfs/dbraw/zinc/89/63/66/410896366.db2.gz KBRHXJGHVSNFOY-SKDRFNHKSA-N 2 1 208.349 1.905 10 0 BDAEMP CC(C)[N@@H+]1CC[C@H](N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000104125215 167025924 /nfs/dbraw/zinc/02/59/24/167025924.db2.gz GOCCCCQNCNPYOY-OCCSQVGLSA-N 2 1 239.407 1.528 10 0 BDAEMP CC(C)[N@H+]1CC[C@H](N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000104125215 167025926 /nfs/dbraw/zinc/02/59/26/167025926.db2.gz GOCCCCQNCNPYOY-OCCSQVGLSA-N 2 1 239.407 1.528 10 0 BDAEMP CC(C)[N@@H+]1CCc2nc(C[C@H](C)[NH3+])sc2C1 ZINC000054161022 167026799 /nfs/dbraw/zinc/02/67/99/167026799.db2.gz WVBYYHQOUOQVIE-VIFPVBQESA-N 2 1 239.388 1.799 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000053031652 167112655 /nfs/dbraw/zinc/11/26/55/167112655.db2.gz PPAWVMOHGZEENO-QWHCGFSZSA-N 2 1 225.380 1.010 10 0 BDAEMP CC(C)[C@@H](C)[N@@H+](C)CCC(=O)N(C)CCC[NH3+] ZINC000036786691 167367868 /nfs/dbraw/zinc/36/78/68/167367868.db2.gz MABRVIGFPOEJDN-GFCCVEGCSA-N 2 1 243.395 1.160 10 0 BDAEMP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310529302 411241397 /nfs/dbraw/zinc/24/13/97/411241397.db2.gz PMPMTZOGJQEVEJ-YXCITZCRSA-N 2 1 231.343 1.812 10 0 BDAEMP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310529301 411241406 /nfs/dbraw/zinc/24/14/06/411241406.db2.gz PMPMTZOGJQEVEJ-VZZFWQQMSA-N 2 1 231.343 1.812 10 0 BDAEMP CC1(C)CC([NH2+]CCC[NH3+])CC(C)(C)[NH2+]1 ZINC000041620039 167888108 /nfs/dbraw/zinc/88/81/08/167888108.db2.gz SIZOWDGGCYRAHE-UHFFFAOYSA-N 3 1 213.369 1.234 10 0 BDAEMP CC1CCC(C[N@@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000336759677 168153042 /nfs/dbraw/zinc/15/30/42/168153042.db2.gz LKBBAVMHBDUKMY-HTAVTVPLSA-N 2 1 214.353 1.064 10 0 BDAEMP CCO[C@@H]1CN(c2cc(C)cc[nH+]2)C[C@H]1C[NH3+] ZINC000405552990 411434470 /nfs/dbraw/zinc/43/44/70/411434470.db2.gz ZQHVFHJLGPFMFG-VXGBXAGGSA-N 2 1 235.331 1.190 10 0 BDAEMP OCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659891240 411491679 /nfs/dbraw/zinc/49/16/79/411491679.db2.gz LVBLLPQOGZTVAY-CLLJXQQHSA-N 2 1 238.375 1.079 10 0 BDAEMP CC[N@H+]1CC[C@H](CNc2cc[nH+]cc2)C1 ZINC000037484459 170016282 /nfs/dbraw/zinc/01/62/82/170016282.db2.gz WALQZMUINKBDNS-LLVKDONJSA-N 2 1 205.305 1.835 10 0 BDAEMP CCNC(=O)C[N@H+](CC)Cc1cccc(C[NH3+])c1 ZINC000042367768 170057031 /nfs/dbraw/zinc/05/70/31/170057031.db2.gz BBGIYAAYAPSAIL-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCNC(=O)C[N@@H+](CC)Cc1cccc(C[NH3+])c1 ZINC000042367768 170057032 /nfs/dbraw/zinc/05/70/32/170057032.db2.gz BBGIYAAYAPSAIL-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CC[NH2+]CCCNc1cc(C)[nH+]c(C)n1 ZINC000038043396 170112642 /nfs/dbraw/zinc/11/26/42/170112642.db2.gz UJLKKCIHTZJCOE-UHFFFAOYSA-N 2 1 208.309 1.505 10 0 BDAEMP CC[NH2+]CCC[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480090 170112710 /nfs/dbraw/zinc/11/27/10/170112710.db2.gz FTPLMZURQHVLGU-AWEZNQCLSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000095091544 170119998 /nfs/dbraw/zinc/11/99/98/170119998.db2.gz NDTHGBXTJCOSAV-GJZGRUSLSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+]C[C@H](O)C[N@@H+](C)C1CCC(CC)CC1 ZINC000042515657 170121569 /nfs/dbraw/zinc/12/15/69/170121569.db2.gz WILPMBIEGZTDCU-RUXDESIVSA-N 2 1 242.407 1.857 10 0 BDAEMP CC[NH2+]Cc1ccnc(-n2cc[nH+]c2C)c1 ZINC000051490985 170129601 /nfs/dbraw/zinc/12/96/01/170129601.db2.gz IATGWKXAAJICBG-UHFFFAOYSA-N 2 1 216.288 1.685 10 0 BDAEMP CC[NH2+][C@@H](C)[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940533 170140206 /nfs/dbraw/zinc/14/02/06/170140206.db2.gz NLXKLYGMYQMCPH-BFHYXJOUSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH2+][C@@H](CC[N@H+](CC)C1CCCC1)C(N)=O ZINC000062448465 170145152 /nfs/dbraw/zinc/14/51/52/170145152.db2.gz UEBSJCRBQNTGAN-LBPRGKRZSA-N 2 1 241.379 1.104 10 0 BDAEMP CC[NH2+][C@@H](CC[N@@H+](CC)C1CCCC1)C(N)=O ZINC000062448465 170145155 /nfs/dbraw/zinc/14/51/55/170145155.db2.gz UEBSJCRBQNTGAN-LBPRGKRZSA-N 2 1 241.379 1.104 10 0 BDAEMP CC[NH2+][C@H](C)C[N@H+](CCOC)[C@@H](C)CC ZINC000043973344 170157219 /nfs/dbraw/zinc/15/72/19/170157219.db2.gz ZIOIOQFAZGJMLI-NEPJUHHUSA-N 2 1 216.369 1.731 10 0 BDAEMP CC[NH2+][C@H](C)C[N@@H+](CCOC)[C@@H](C)CC ZINC000043973344 170157221 /nfs/dbraw/zinc/15/72/21/170157221.db2.gz ZIOIOQFAZGJMLI-NEPJUHHUSA-N 2 1 216.369 1.731 10 0 BDAEMP CCOC1CC[NH+]([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000040689309 170332987 /nfs/dbraw/zinc/33/29/87/170332987.db2.gz VHXCRSYSYGZXKK-RYUDHWBXSA-N 2 1 212.337 1.367 10 0 BDAEMP CCOCC[N@@H+](CC)Cc1cc(C[NH2+]C)co1 ZINC000104189743 170394666 /nfs/dbraw/zinc/39/46/66/170394666.db2.gz GAUSHYFZEVOOQW-UHFFFAOYSA-N 2 1 240.347 1.857 10 0 BDAEMP CCOCC[N@@H+](CC)Cc1ccc(C[NH2+]C)o1 ZINC000104186898 170396694 /nfs/dbraw/zinc/39/66/94/170396694.db2.gz BNLBEPPBTFUHMC-UHFFFAOYSA-N 2 1 240.347 1.857 10 0 BDAEMP CC[NH+]1CCC(c2cc[nH+]c(N)c2)CC1 ZINC000616619490 411856553 /nfs/dbraw/zinc/85/65/53/411856553.db2.gz RILRMLROJNFDTH-UHFFFAOYSA-N 2 1 205.305 1.863 10 0 BDAEMP CC[C@@H]1CCN(C[C@@H]2CC[N@@H+](CC)C2)CC[NH2+]1 ZINC000049662188 171011537 /nfs/dbraw/zinc/01/15/37/171011537.db2.gz RKPRAEJTHXRURW-ZIAGYGMSSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[C@@H]1C[N@H+](CC2(C[NH3+])CCCC2)CCO1 ZINC000051217068 171076813 /nfs/dbraw/zinc/07/68/13/171076813.db2.gz DOWDHAYFGHNPBV-GFCCVEGCSA-N 2 1 226.364 1.616 10 0 BDAEMP CC[C@@H]1C[N@@H+](CC2(C[NH3+])CCCC2)CCO1 ZINC000051217068 171076815 /nfs/dbraw/zinc/07/68/15/171076815.db2.gz DOWDHAYFGHNPBV-GFCCVEGCSA-N 2 1 226.364 1.616 10 0 BDAEMP CC[C@@](C)(C[NH3+])C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063122106 171166273 /nfs/dbraw/zinc/16/62/73/171166273.db2.gz NDDLCHKUVJNULU-AWEZNQCLSA-N 3 1 241.423 1.635 10 0 BDAEMP CC[C@@](C)(CN)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063122106 171166275 /nfs/dbraw/zinc/16/62/75/171166275.db2.gz NDDLCHKUVJNULU-AWEZNQCLSA-N 2 1 241.423 1.635 10 0 BDAEMP CC[C@@](C)(CN)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063122106 171166278 /nfs/dbraw/zinc/16/62/78/171166278.db2.gz NDDLCHKUVJNULU-AWEZNQCLSA-N 2 1 241.423 1.635 10 0 BDAEMP CC[C@H](C)[NH2+]C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104140322 171342077 /nfs/dbraw/zinc/34/20/77/171342077.db2.gz ARMKHAYPRNYPTO-STQMWFEESA-N 2 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/nfs/dbraw/zinc/43/89/81/586438981.db2.gz IUONSDWSEARGKW-XDTLVQLUSA-N 3 1 219.332 1.286 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757212628 586439350 /nfs/dbraw/zinc/43/93/50/586439350.db2.gz JOEYGJKCFQYAMG-RYUDHWBXSA-N 2 1 229.327 1.962 10 0 BDAEMP C[C@@H]1C[C@@H](c2cccc(C[NH3+])c2)[NH2+]C[C@@H]1[NH3+] ZINC000757212874 586439464 /nfs/dbraw/zinc/43/94/64/586439464.db2.gz KBIVQXCNRHYYNX-ICCXJUOJSA-N 3 1 219.332 1.143 10 0 BDAEMP CC(=O)c1cccc([C@H]2CC[C@H](C[NH3+])[NH2+]C2)c1 ZINC000757212324 586439690 /nfs/dbraw/zinc/43/96/90/586439690.db2.gz ICMAVXGLQOLMFT-UONOGXRCSA-N 2 1 232.327 1.684 10 0 BDAEMP [NH3+][C@H]1C[NH2+]CC[C@H]1c1cccc2cc[nH]c21 ZINC000757217121 586441195 /nfs/dbraw/zinc/44/11/95/586441195.db2.gz RHZGYLSYUNJAPZ-JQWIXIFHSA-N 2 1 215.300 1.572 10 0 BDAEMP C[C@@H]1CC[NH2+][C@@H](c2cccc(C[NH3+])c2)[C@H]1N ZINC000757220249 586442171 /nfs/dbraw/zinc/44/21/71/586442171.db2.gz XPNMWCXEYJNJLV-ICCXJUOJSA-N 2 1 219.332 1.143 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H]1N(C)C ZINC000124245757 589970474 /nfs/dbraw/zinc/97/04/74/589970474.db2.gz QMAYTBQZRTXGIT-OLZOCXBDSA-N 2 1 227.396 1.387 10 0 BDAEMP C[C@@H]1CN(CCCCCC[NH3+])C[C@@H]1[NH+](C)C ZINC000124245757 589970477 /nfs/dbraw/zinc/97/04/77/589970477.db2.gz QMAYTBQZRTXGIT-OLZOCXBDSA-N 2 1 227.396 1.387 10 0 BDAEMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309103754 631879336 /nfs/dbraw/zinc/87/93/36/631879336.db2.gz GZGDVSBWBVTQHY-MXWKQRLJSA-N 2 1 205.305 1.586 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)c1cc[nH+]cc1CO ZINC000126534793 632123401 /nfs/dbraw/zinc/12/34/01/632123401.db2.gz DOPFUAXBDLDMQD-CYBMUJFWSA-N 2 1 249.358 1.494 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000235265455 632591289 /nfs/dbraw/zinc/59/12/89/632591289.db2.gz ULNPHMGMRGZKFV-ZOBORPQBSA-N 2 1 237.391 1.010 10 0 BDAEMP CCN1CCC[C@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000092633557 634198694 /nfs/dbraw/zinc/19/86/94/634198694.db2.gz IABGKWZEWDHPGH-AWEZNQCLSA-N 2 1 241.423 1.922 10 0 BDAEMP CC[N@@H+]1CCC[C@H]1CN(C)CCCCCC[NH3+] ZINC000092633557 634198698 /nfs/dbraw/zinc/19/86/98/634198698.db2.gz IABGKWZEWDHPGH-AWEZNQCLSA-N 2 1 241.423 1.922 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)CCCCCC[NH3+] ZINC000092633557 634198701 /nfs/dbraw/zinc/19/87/01/634198701.db2.gz IABGKWZEWDHPGH-AWEZNQCLSA-N 2 1 241.423 1.922 10 0 BDAEMP C[N@@H+](C[C@@H]1CCCO1)C1(C[NH3+])CCCCC1 ZINC000042463625 637264667 /nfs/dbraw/zinc/26/46/67/637264667.db2.gz OWJGRCFCSNDYMQ-LBPRGKRZSA-N 2 1 226.364 1.759 10 0 BDAEMP C[N@@H+](CCCCCCO)[C@H]1CCC[NH2+]CC1 ZINC000231668162 641190773 /nfs/dbraw/zinc/19/07/73/641190773.db2.gz KFAGXLDWOUNETE-ZDUSSCGKSA-N 2 1 228.380 1.613 10 0 BDAEMP CN(C)[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000071137244 643100884 /nfs/dbraw/zinc/10/08/84/643100884.db2.gz SEMFHCWKZXFWLJ-LBPRGKRZSA-N 2 1 213.369 1.141 10 0 BDAEMP CN(C)[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000071137239 643100836 /nfs/dbraw/zinc/10/08/36/643100836.db2.gz BVXSEBPYRYFFMM-CYBMUJFWSA-N 2 1 227.396 1.532 10 0 BDAEMP C[NH+](C)[C@@H]1CCN(CCCCCCC[NH3+])C1 ZINC000071137239 643100845 /nfs/dbraw/zinc/10/08/45/643100845.db2.gz BVXSEBPYRYFFMM-CYBMUJFWSA-N 2 1 227.396 1.532 10 0 BDAEMP C[NH+](C)[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000071137244 643100887 /nfs/dbraw/zinc/10/08/87/643100887.db2.gz SEMFHCWKZXFWLJ-LBPRGKRZSA-N 2 1 213.369 1.141 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132694 643258158 /nfs/dbraw/zinc/25/81/58/643258158.db2.gz RPUHSDKTTIIYPQ-MGPQQGTHSA-N 2 1 240.391 1.733 10 0 BDAEMP COC(=O)[C@](C)([NH3+])C[C@H](C)n1cc[nH+]c1C ZINC000082800190 643526547 /nfs/dbraw/zinc/52/65/47/643526547.db2.gz KCEQRNYKPKXIKU-GZMMTYOYSA-N 2 1 225.292 1.033 10 0 BDAEMP CCN(c1cc[nH+]cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000086839900 644186397 /nfs/dbraw/zinc/18/63/97/644186397.db2.gz QESXYQOUBDJKIB-SECBINFHSA-N 2 1 225.723 1.923 10 0 BDAEMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000052420748 644536959 /nfs/dbraw/zinc/53/69/59/644536959.db2.gz CXHNMZRYKUNOSZ-XQHKEYJVSA-N 2 1 226.364 1.471 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000251636269 644815371 /nfs/dbraw/zinc/81/53/71/644815371.db2.gz FRLNITWAGUQXFM-IJLUTSLNSA-N 2 1 212.337 1.082 10 0 BDAEMP C[C@@H]1CCC[N@H+](C[C@H]2CCCO2)[C@H]1C[NH3+] ZINC000252182331 644841045 /nfs/dbraw/zinc/84/10/45/644841045.db2.gz QFXCZVOIJBCJQU-UTUOFQBUSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)[C@H]1C[NH3+] ZINC000252182331 644841048 /nfs/dbraw/zinc/84/10/48/644841048.db2.gz QFXCZVOIJBCJQU-UTUOFQBUSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ncc[nH]1 ZINC000252979008 644928421 /nfs/dbraw/zinc/92/84/21/644928421.db2.gz FTUXYXPVEUPIQI-LPEHRKFASA-N 2 1 208.309 1.188 10 0 BDAEMP COCC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000713951496 712474811 /nfs/dbraw/zinc/47/48/11/712474811.db2.gz BTPPMNDHCZGWTG-UHFFFAOYSA-N 2 1 238.375 1.628 10 0 BDAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000723119258 711505119 /nfs/dbraw/zinc/50/51/19/711505119.db2.gz XSIDXUFHAWDGOP-KSSYENDESA-N 2 1 208.349 1.702 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257650266 711723088 /nfs/dbraw/zinc/72/30/88/711723088.db2.gz DBDUZJNHHDIYFS-STQMWFEESA-N 2 1 224.348 1.241 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H](O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000708827627 712199873 /nfs/dbraw/zinc/19/98/73/712199873.db2.gz YEZSYQQOWMHHOP-KWCYVHTRSA-N 2 1 240.391 1.454 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@@H]1C[NH3+] ZINC000712483791 712431577 /nfs/dbraw/zinc/43/15/77/712431577.db2.gz DBOHCYYENRUFQO-FRRDWIJNSA-N 2 1 238.375 1.615 10 0 BDAEMP C[C@H]1C[N@@H+](CCCOC(F)(F)F)C[C@H]1C[NH3+] ZINC000713414778 712459116 /nfs/dbraw/zinc/45/91/16/712459116.db2.gz HPSFGCGKQXFYRB-DTWKUNHWSA-N 2 1 240.269 1.440 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000713586814 712466326 /nfs/dbraw/zinc/46/63/26/712466326.db2.gz ONDWDWDFQDKTFU-FRRDWIJNSA-N 2 1 240.391 1.718 10 0 BDAEMP CCC1([NH3+])CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000714751909 712497234 /nfs/dbraw/zinc/49/72/34/712497234.db2.gz JVHMJOQGVDHVFL-UHFFFAOYSA-N 2 1 234.347 1.801 10 0 BDAEMP [NH3+][C@H]1C[C@@H](CNc2cc[nH+]cc2Cl)C1 ZINC000715096169 712508495 /nfs/dbraw/zinc/50/84/95/712508495.db2.gz KMSMNJGGDYXNHL-OCAPTIKFSA-N 2 1 211.696 1.306 10 0 BDAEMP [NH3+]C1CC(CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000715113163 712509871 /nfs/dbraw/zinc/50/98/71/712509871.db2.gz BNUWJBGLTVETCL-UHFFFAOYSA-N 2 1 216.288 1.712 10 0 BDAEMP CC1(C)CO[C@@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000717158256 712638136 /nfs/dbraw/zinc/63/81/36/712638136.db2.gz JHIRCGRENMAIAQ-QWRGUYRKSA-N 2 1 212.337 1.143 10 0 BDAEMP CC1(C[NH2+][C@H]2CC[NH2+]C2)CC(F)(F)C1 ZINC000720465242 712844917 /nfs/dbraw/zinc/84/49/17/712844917.db2.gz LVZQUMHXBUTNGT-QMMMGPOBSA-N 2 1 204.264 1.373 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)nn1 ZINC000720578096 712853536 /nfs/dbraw/zinc/85/35/36/712853536.db2.gz BBDBBEMROFIVSI-FPMFFAJLSA-N 2 1 246.358 1.263 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cc(F)ccc1F ZINC000685965402 538911858 /nfs/dbraw/zinc/91/18/58/538911858.db2.gz CJUIBUKMBRNWRS-KOLCDFICSA-N 2 1 212.243 1.369 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000685965715 538912249 /nfs/dbraw/zinc/91/22/49/538912249.db2.gz PVSUGRKRGOEANZ-MNOVXSKESA-N 2 1 210.708 1.744 10 0 BDAEMP CCc1cccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965721 538912270 /nfs/dbraw/zinc/91/22/70/538912270.db2.gz QADZDZMSSONZEY-OLZOCXBDSA-N 2 1 204.317 1.653 10 0 BDAEMP C[NH2+]C[C@H](C)[N@@H+]1CCSCC[C@H]1C ZINC000306641086 361750317 /nfs/dbraw/zinc/75/03/17/361750317.db2.gz PZYYIHMONDYMBE-ZJUUUORDSA-N 2 1 202.367 1.422 10 0 BDAEMP C[NH2+]C[C@H](C)[N@H+]1CCSCC[C@H]1C ZINC000306641086 361750320 /nfs/dbraw/zinc/75/03/20/361750320.db2.gz PZYYIHMONDYMBE-ZJUUUORDSA-N 2 1 202.367 1.422 10 0 BDAEMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000400507110 398241317 /nfs/dbraw/zinc/24/13/17/398241317.db2.gz DPVFFJWEYWTLIX-WDEREUQCSA-N 2 1 208.305 1.676 10 0 BDAEMP CCSCC[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366749658 398248971 /nfs/dbraw/zinc/24/89/71/398248971.db2.gz ZZVJGWZHWPEADZ-LLVKDONJSA-N 2 1 239.388 1.788 10 0 BDAEMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)[C@H]1C ZINC000381045488 398252276 /nfs/dbraw/zinc/25/22/76/398252276.db2.gz DCXPWKYKDLBHHM-NTZNESFSSA-N 2 1 226.364 1.077 10 0 BDAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@@H](C)COC ZINC000187646101 538976392 /nfs/dbraw/zinc/97/63/92/538976392.db2.gz RLYDQXSYGBAYHX-NEPJUHHUSA-N 2 1 216.369 1.589 10 0 BDAEMP C[C@H]([NH2+]C[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000381322158 538998113 /nfs/dbraw/zinc/99/81/13/538998113.db2.gz PDXBATKUHXPVAH-QWRGUYRKSA-N 2 1 219.332 1.834 10 0 BDAEMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000390775115 539027210 /nfs/dbraw/zinc/02/72/10/539027210.db2.gz ZTTOISWHTFYDKX-RYUDHWBXSA-N 2 1 219.332 1.976 10 0 BDAEMP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000012506033 342852978 /nfs/dbraw/zinc/85/29/78/342852978.db2.gz QSJGZIHOPCJDNN-QWHCGFSZSA-N 2 1 202.301 1.610 10 0 BDAEMP CC(C)(C[NH3+])C[N@@H+]1CCOCC1(C)C ZINC000051255755 343623715 /nfs/dbraw/zinc/62/37/15/343623715.db2.gz IBAJWOFNKQHRCA-UHFFFAOYSA-N 2 1 200.326 1.082 10 0 BDAEMP CC(C)(C[NH3+])C[N@H+]1CCOCC1(C)C ZINC000051255755 343623717 /nfs/dbraw/zinc/62/37/17/343623717.db2.gz IBAJWOFNKQHRCA-UHFFFAOYSA-N 2 1 200.326 1.082 10 0 BDAEMP [NH3+]CC1CC[NH+](CC(=O)c2ccccc2)CC1 ZINC000144079938 343785659 /nfs/dbraw/zinc/78/56/59/343785659.db2.gz AGQGXNKZQHUQGF-UHFFFAOYSA-N 2 1 232.327 1.540 10 0 BDAEMP [NH3+]CCC[N@H+]1CCOC[C@@H]2CCCC[C@H]21 ZINC000409427740 343801654 /nfs/dbraw/zinc/80/16/54/343801654.db2.gz FHHZJQYYWHYNNN-NWDGAFQWSA-N 2 1 212.337 1.226 10 0 BDAEMP CCOC[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409430208 343807638 /nfs/dbraw/zinc/80/76/38/343807638.db2.gz QBPHIXUSFSQTRL-LBPRGKRZSA-N 2 1 226.364 1.487 10 0 BDAEMP COC[C@H]1C[N@H+](C2CC[NH2+]CC2)CC12CCC2 ZINC000409434504 343829318 /nfs/dbraw/zinc/82/93/18/343829318.db2.gz PPLXZFGQSZGVKC-GFCCVEGCSA-N 2 1 238.375 1.487 10 0 BDAEMP CCOC[C@@H]1C[N@H+](C2CC[NH2+]CC2)C[C@H]1C ZINC000409435583 343834513 /nfs/dbraw/zinc/83/45/13/343834513.db2.gz VLVWIBMQTBAGLV-NEPJUHHUSA-N 2 1 226.364 1.343 10 0 BDAEMP CC[N@@H+](CCC[NH3+])C1CCSCC1 ZINC000409436217 343837869 /nfs/dbraw/zinc/83/78/69/343837869.db2.gz YSSNXPCPWYJCKZ-UHFFFAOYSA-N 2 1 202.367 1.553 10 0 BDAEMP CC(C)C[C@@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409435795 343840325 /nfs/dbraw/zinc/84/03/25/343840325.db2.gz WOPXZLYJMAQCBK-OCCSQVGLSA-N 2 1 240.391 1.467 10 0 BDAEMP CC[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])OC ZINC000227421784 344334309 /nfs/dbraw/zinc/33/43/09/344334309.db2.gz JQCJCBTYUSVZHK-CYBMUJFWSA-N 2 1 222.332 1.482 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc[nH]1 ZINC000247722388 344386250 /nfs/dbraw/zinc/38/62/50/344386250.db2.gz BNGCEMOQZAFMLM-HOSYDEDBSA-N 2 1 207.321 1.935 10 0 BDAEMP F[C@]1([C@@H]2CCCCC[NH2+]2)CCC[NH2+]C1 ZINC000158093371 344541881 /nfs/dbraw/zinc/54/18/81/344541881.db2.gz MGKHDXJIYFGYIR-WDEREUQCSA-N 2 1 200.301 1.610 10 0 BDAEMP CC(C)[C@](F)(C[NH3+])[C@H]1CCCCC[NH2+]1 ZINC000158389257 344640125 /nfs/dbraw/zinc/64/01/25/344640125.db2.gz IZYYHHIWWQWSKZ-GHMZBOCLSA-N 2 1 202.317 1.842 10 0 BDAEMP C[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000248135034 345052177 /nfs/dbraw/zinc/05/21/77/345052177.db2.gz RHNZVCBQHIJIPJ-LSDHHAIUSA-N 2 1 248.370 1.431 10 0 BDAEMP C[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000248135034 345052179 /nfs/dbraw/zinc/05/21/79/345052179.db2.gz RHNZVCBQHIJIPJ-LSDHHAIUSA-N 2 1 248.370 1.431 10 0 BDAEMP COc1cc(C)nc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999011 345199002 /nfs/dbraw/zinc/19/90/02/345199002.db2.gz OOKBIERIPDMKPH-PWSUYJOCSA-N 2 1 249.358 1.425 10 0 BDAEMP COc1cc(C)nc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999011 345199005 /nfs/dbraw/zinc/19/90/05/345199005.db2.gz OOKBIERIPDMKPH-PWSUYJOCSA-N 2 1 249.358 1.425 10 0 BDAEMP C[C@H](C[NH3+])CNc1cc[nH+]cc1Br ZINC000160027528 345787521 /nfs/dbraw/zinc/78/75/21/345787521.db2.gz GNJAGKSWKJSQFO-SSDOTTSWSA-N 2 1 244.136 1.851 10 0 BDAEMP [NH3+]C[C@H]([NH3+])C[C@@H]1CCc2ccccc2C1 ZINC000169191787 345838967 /nfs/dbraw/zinc/83/89/67/345838967.db2.gz OVTZQVVSWMGEDH-ZWNOBZJWSA-N 2 1 204.317 1.468 10 0 BDAEMP CC[C@H](C[NH3+])[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000669377541 537964918 /nfs/dbraw/zinc/96/49/18/537964918.db2.gz STNPBWJBVJDOIR-HUUCEWRRSA-N 2 1 248.370 1.608 10 0 BDAEMP CC[N@@H+](CC(C)C)C[C@H]1CNC[C@H](C[NH3+])C1 ZINC000669378614 537968323 /nfs/dbraw/zinc/96/83/23/537968323.db2.gz JFHFPWIHLQGPPO-QWHCGFSZSA-N 2 1 227.396 1.149 10 0 BDAEMP CC[C@@H]1CS[C@]2(CC[NH2+]C[C@@H]2C)[NH2+]1 ZINC000229565681 346437818 /nfs/dbraw/zinc/43/78/18/346437818.db2.gz TWKRMKQMJBOARZ-AEJSXWLSSA-N 2 1 200.351 1.427 10 0 BDAEMP C[C@@H]1C[N@H+](C2CCC([NH3+])CC2)CCS1 ZINC000164153653 346593412 /nfs/dbraw/zinc/59/34/12/346593412.db2.gz RBVXWWMPHNKAGK-KPPDAEKUSA-N 2 1 214.378 1.694 10 0 BDAEMP c1ccc(COCCCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000390588250 259394814 /nfs/dbraw/zinc/39/48/14/259394814.db2.gz OQPMDJKPGOMGNY-HNNXBMFYSA-N 2 1 248.370 1.935 10 0 BDAEMP CC(C)[C@@H](C[NH3+])[N@@H+]1CCCO[C@H](C)C1 ZINC000251665982 362896330 /nfs/dbraw/zinc/89/63/30/362896330.db2.gz HCFMWMXTLAOOQE-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H](C[NH3+])[N@H+]1CCCO[C@H](C)C1 ZINC000251665982 362896333 /nfs/dbraw/zinc/89/63/33/362896333.db2.gz HCFMWMXTLAOOQE-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP CC[C@@H]1C[N@H+]([C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251753007 362906072 /nfs/dbraw/zinc/90/60/72/362906072.db2.gz LLXDNUWGLUNJEG-OUAUKWLOSA-N 2 1 214.378 1.551 10 0 BDAEMP Cc1nccn1CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074268 180252137 /nfs/dbraw/zinc/25/21/37/180252137.db2.gz AROQWMRQOPSLPX-ZDUSSCGKSA-N 2 1 236.363 1.252 10 0 BDAEMP Cc1nccn1CC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000042427524 180254247 /nfs/dbraw/zinc/25/42/47/180254247.db2.gz ZETSYEIRLCNIDW-WCQYABFASA-N 2 1 236.363 1.251 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)CC1(O)CCCC1 ZINC000083588081 350249852 /nfs/dbraw/zinc/24/98/52/350249852.db2.gz OKNXQFRJKDAMSC-GFCCVEGCSA-N 2 1 226.364 1.175 10 0 BDAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)CC1(O)CCCC1 ZINC000083588081 350249853 /nfs/dbraw/zinc/24/98/53/350249853.db2.gz OKNXQFRJKDAMSC-GFCCVEGCSA-N 2 1 226.364 1.175 10 0 BDAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)CC1(O)CCCC1 ZINC000083588081 350249857 /nfs/dbraw/zinc/24/98/57/350249857.db2.gz OKNXQFRJKDAMSC-GFCCVEGCSA-N 2 1 226.364 1.175 10 0 BDAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccc(O)cc1 ZINC000011848609 180266930 /nfs/dbraw/zinc/26/69/30/180266930.db2.gz BNYXHHMNTDSILK-GFCCVEGCSA-N 2 1 217.272 1.597 10 0 BDAEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccc(O)cc1 ZINC000011848610 180269289 /nfs/dbraw/zinc/26/92/89/180269289.db2.gz BNYXHHMNTDSILK-LBPRGKRZSA-N 2 1 217.272 1.597 10 0 BDAEMP Cc1[nH+]ccn1[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336364 180270864 /nfs/dbraw/zinc/27/08/64/180270864.db2.gz GRPRWSTZIAZRHT-KCJUWKMLSA-N 2 1 205.261 1.721 10 0 BDAEMP CCOC[C@H]1C[N@@H+](CCC[NH3+])CC12CCCC2 ZINC000409433360 350477742 /nfs/dbraw/zinc/47/77/42/350477742.db2.gz MPTLJRUTTWFAAO-CYBMUJFWSA-N 2 1 240.391 1.864 10 0 BDAEMP C[C@@H]1C[N@H+](C2CCSCC2)CC[C@H]1[NH3+] ZINC000251864484 362971516 /nfs/dbraw/zinc/97/15/16/362971516.db2.gz STQBOCVSJPVVMW-MWLCHTKSSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@]1(C[NH3+])CC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000306831064 351146107 /nfs/dbraw/zinc/14/61/07/351146107.db2.gz JYLUDWZVYNGQDS-PWSUYJOCSA-N 2 1 210.321 1.169 10 0 BDAEMP C[C@@]1(C[NH3+])CC[N@H+]([C@@H]2CCCCC2=O)C1 ZINC000306831064 351146109 /nfs/dbraw/zinc/14/61/09/351146109.db2.gz JYLUDWZVYNGQDS-PWSUYJOCSA-N 2 1 210.321 1.169 10 0 BDAEMP C[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCCCC2=O)C1 ZINC000306831063 351146241 /nfs/dbraw/zinc/14/62/41/351146241.db2.gz JYLUDWZVYNGQDS-JQWIXIFHSA-N 2 1 210.321 1.169 10 0 BDAEMP C[C@@]1(C[NH3+])CC[N@H+]([C@H]2CCCCC2=O)C1 ZINC000306831063 351146242 /nfs/dbraw/zinc/14/62/42/351146242.db2.gz JYLUDWZVYNGQDS-JQWIXIFHSA-N 2 1 210.321 1.169 10 0 BDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC1C[NH2+]C1 ZINC000306847515 351158727 /nfs/dbraw/zinc/15/87/27/351158727.db2.gz LJLOHVSHWWCAHH-LBPRGKRZSA-N 2 1 233.359 1.068 10 0 BDAEMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000616650649 351184506 /nfs/dbraw/zinc/18/45/06/351184506.db2.gz CIYOZIKZBUOMOP-AWEZNQCLSA-N 2 1 234.343 1.626 10 0 BDAEMP [NH3+]CC[C@@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616659991 351209010 /nfs/dbraw/zinc/20/90/10/351209010.db2.gz MCNPWGKCZQRBDY-AWEZNQCLSA-N 2 1 234.343 1.484 10 0 BDAEMP C[C@@H]1C[NH2+][C@@]2(CC[N@@H+](C)C[C@H]2C)S1 ZINC000306949938 351375206 /nfs/dbraw/zinc/37/52/06/351375206.db2.gz XIPMTLFTPAKAED-BBBLOLIVSA-N 2 1 200.351 1.379 10 0 BDAEMP C[C@H]([C@H](C)[NH3+])[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000306972400 351394977 /nfs/dbraw/zinc/39/49/77/351394977.db2.gz VTZCRZLTVOZISO-DOLQZWNJSA-N 2 1 202.367 1.548 10 0 BDAEMP C[N@H+]1CC[C@H](NC(=[NH2+])NCc2ccccc2)C1 ZINC000306987230 351404099 /nfs/dbraw/zinc/40/40/99/351404099.db2.gz PZHCPQGSCOFWCD-LBPRGKRZSA-N 2 1 232.331 1.005 10 0 BDAEMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(N)=[NH2+] ZINC000307048111 351447138 /nfs/dbraw/zinc/44/71/38/351447138.db2.gz PBDLTJJSKBPUHM-NSHDSACASA-N 2 1 232.331 1.086 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(N)=[NH2+] ZINC000307048111 351447142 /nfs/dbraw/zinc/44/71/42/351447142.db2.gz PBDLTJJSKBPUHM-NSHDSACASA-N 2 1 232.331 1.086 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CSC1 ZINC000307131045 351495490 /nfs/dbraw/zinc/49/54/90/351495490.db2.gz SPRPYGDTPGOQDZ-BDAKNGLRSA-N 2 1 200.351 1.161 10 0 BDAEMP CC1(C)SC[C@@H]1[N@H+]1CC[C@H](C[NH3+])C1 ZINC000307168858 351542537 /nfs/dbraw/zinc/54/25/37/351542537.db2.gz WFLZNZDRCXMQCV-BDAKNGLRSA-N 2 1 200.351 1.161 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1cccc(Br)n1 ZINC000307302581 351928713 /nfs/dbraw/zinc/92/87/13/351928713.db2.gz NRHZPIXTLPCJNW-LURJTMIESA-N 2 1 230.109 1.193 10 0 BDAEMP [NH3+]C[C@H]1CCC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000420205624 192174529 /nfs/dbraw/zinc/17/45/29/192174529.db2.gz RVXLSEYVHXEWKE-PSASIEDQSA-N 2 1 231.303 1.497 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CS1 ZINC000252173403 363190020 /nfs/dbraw/zinc/19/00/20/363190020.db2.gz ROHVGCQXGVDKDA-CHWFTXMASA-N 2 1 214.378 1.550 10 0 BDAEMP C/C(=C\Cl)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300401026 352562677 /nfs/dbraw/zinc/56/26/77/352562677.db2.gz JBDGQWQCQWSVKV-URNYOCNJSA-N 2 1 202.729 1.798 10 0 BDAEMP C/C(=C\Cl)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300401026 352562678 /nfs/dbraw/zinc/56/26/78/352562678.db2.gz JBDGQWQCQWSVKV-URNYOCNJSA-N 2 1 202.729 1.798 10 0 BDAEMP C[C@H]([C@@H](C)C[NH3+])[N@H+]1CCS[C@H](C)CC1 ZINC000307494429 352625002 /nfs/dbraw/zinc/62/50/02/352625002.db2.gz HTHLDRSEOCTVEW-HBNTYKKESA-N 2 1 216.394 1.797 10 0 BDAEMP C[C@@H]1CCC[N@H+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273922 538105022 /nfs/dbraw/zinc/10/50/22/538105022.db2.gz VEMOSTUOTGXTBB-GFCCVEGCSA-N 2 1 225.380 1.141 10 0 BDAEMP CC(C)C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N(C)C ZINC000128921406 188085380 /nfs/dbraw/zinc/08/53/80/188085380.db2.gz YKSBFQYETXTMBS-KGLIPLIRSA-N 2 1 241.423 1.694 10 0 BDAEMP CC(C)[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000022173728 188109086 /nfs/dbraw/zinc/10/90/86/188109086.db2.gz QVGRQOPIONTENG-NSHDSACASA-N 2 1 249.358 1.813 10 0 BDAEMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc[nH]2)C1 ZINC000051789653 188157319 /nfs/dbraw/zinc/15/73/19/188157319.db2.gz QIBPUYORQSJGHX-NSHDSACASA-N 2 1 207.321 1.446 10 0 BDAEMP C(C[C@@H]1CCC[NH2+]1)C[N@H+]1CCCOCC1 ZINC000061918679 188184242 /nfs/dbraw/zinc/18/42/42/188184242.db2.gz BRIASQJCYMTVTH-LBPRGKRZSA-N 2 1 212.337 1.241 10 0 BDAEMP CSC[C@H](C)[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000128128936 353283105 /nfs/dbraw/zinc/28/31/05/353283105.db2.gz XMBMGVAAJZIDRG-ZJUUUORDSA-N 2 1 202.367 1.422 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@H+]1C/C=C\C[NH3+] ZINC000308078058 353767147 /nfs/dbraw/zinc/76/71/47/353767147.db2.gz APSZLGCSQMPINC-QKMQQOOLSA-N 2 1 200.351 1.327 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000630079157 363286765 /nfs/dbraw/zinc/28/67/65/363286765.db2.gz WRHOOQVQPLXPQK-WPRPVWTQSA-N 2 1 209.293 1.010 10 0 BDAEMP Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000630079157 363286771 /nfs/dbraw/zinc/28/67/71/363286771.db2.gz WRHOOQVQPLXPQK-WPRPVWTQSA-N 2 1 209.293 1.010 10 0 BDAEMP COC(C)(C)[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000301039089 363358727 /nfs/dbraw/zinc/35/87/27/363358727.db2.gz YLUAWSJQJYKHQJ-KXUCPTDWSA-N 2 1 200.326 1.079 10 0 BDAEMP CC[N@@H+](C)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059518 538484316 /nfs/dbraw/zinc/48/43/16/538484316.db2.gz QZXYOCUNPSAVKR-AWEZNQCLSA-N 2 1 234.343 1.317 10 0 BDAEMP [NH3+][C@@H]1C=C(C[C@@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076658 538511086 /nfs/dbraw/zinc/51/10/86/538511086.db2.gz FNOGBIFBDBWRQP-WCBMZHEXSA-N 2 1 216.275 1.669 10 0 BDAEMP CC(C)[N@@H+](C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080494 538519468 /nfs/dbraw/zinc/51/94/68/538519468.db2.gz RVBNTZBVYFGHSR-WDEREUQCSA-N 2 1 212.337 1.223 10 0 BDAEMP CCc1nc(N[C@H]2C[NH2+]CC[C@@H]2C)cc(C)[nH+]1 ZINC000389719878 357019364 /nfs/dbraw/zinc/01/93/64/357019364.db2.gz DSOZMBBECTXUQE-ONGXEEELSA-N 2 1 234.347 1.179 10 0 BDAEMP Cc1c[nH+]ccc1NC[C@@H]1C[N@H+](C)CCO1 ZINC000085791152 357623386 /nfs/dbraw/zinc/62/33/86/357623386.db2.gz FBAHWGKHOKKRLH-LLVKDONJSA-N 2 1 221.304 1.133 10 0 BDAEMP Cc1c[nH+]ccc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085791152 357623391 /nfs/dbraw/zinc/62/33/91/357623391.db2.gz FBAHWGKHOKKRLH-LLVKDONJSA-N 2 1 221.304 1.133 10 0 BDAEMP [NH3+][C@H]1C[NH2+]CC[C@@H]1c1cccc2occc21 ZINC000685946577 538885557 /nfs/dbraw/zinc/88/55/57/538885557.db2.gz AWAJEHKMCVOQDG-PWSUYJOCSA-N 2 1 216.284 1.837 10 0 BDAEMP CC(C)=CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000232609995 357668308 /nfs/dbraw/zinc/66/83/08/357668308.db2.gz GNXSUPVZLJCDAJ-CHWSQXEVSA-N 2 1 224.348 1.405 10 0 BDAEMP CC(C)=CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000232609995 357668312 /nfs/dbraw/zinc/66/83/12/357668312.db2.gz GNXSUPVZLJCDAJ-CHWSQXEVSA-N 2 1 224.348 1.405 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCOCC1(C)C ZINC000685950914 538894569 /nfs/dbraw/zinc/89/45/69/538894569.db2.gz HVTAXKVHOJKSHE-GHMZBOCLSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCOCC1(C)C ZINC000685950914 538894571 /nfs/dbraw/zinc/89/45/71/538894571.db2.gz HVTAXKVHOJKSHE-GHMZBOCLSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCSC[C@@H]1C ZINC000685951750 538895032 /nfs/dbraw/zinc/89/50/32/538895032.db2.gz XHXZOFMKODQYDJ-MXWKQRLJSA-N 2 1 228.405 1.668 10 0 BDAEMP C[C@H](O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169242993 134249954 /nfs/dbraw/zinc/24/99/54/134249954.db2.gz KEEJRILJRMIOBX-XDTLVQLUSA-N 2 1 220.316 1.492 10 0 BDAEMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000038762073 358196099 /nfs/dbraw/zinc/19/60/99/358196099.db2.gz BFRCNVPFOVQZSH-CYBMUJFWSA-N 2 1 204.317 2.000 10 0 BDAEMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000038762073 358196101 /nfs/dbraw/zinc/19/61/01/358196101.db2.gz BFRCNVPFOVQZSH-CYBMUJFWSA-N 2 1 204.317 2.000 10 0 BDAEMP C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578348083 366530879 /nfs/dbraw/zinc/53/08/79/366530879.db2.gz GSWCFEMLRNJRLZ-STQMWFEESA-N 3 1 239.407 1.448 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+](CCC(F)F)[C@@H]1C ZINC000306219528 359338277 /nfs/dbraw/zinc/33/82/77/359338277.db2.gz MXWGVILITJHOEH-DJLDLDEBSA-N 2 1 206.280 1.699 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000306312513 359593487 /nfs/dbraw/zinc/59/34/87/359593487.db2.gz KUOLXSMOGGCWLM-IUCAKERBSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000306312513 359593489 /nfs/dbraw/zinc/59/34/89/359593489.db2.gz KUOLXSMOGGCWLM-IUCAKERBSA-N 2 1 202.367 1.550 10 0 BDAEMP C[NH+](C)C1(C[NH3+])C[C@H]2CC[C@@H](C1)S2 ZINC000403625760 359631283 /nfs/dbraw/zinc/63/12/83/359631283.db2.gz IZKQJKLWSQQSLK-ULKQDVFKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@]2(COC(=[NH2+])N2)C[N@H+]1Cc1ccccc1 ZINC000306565390 360445339 /nfs/dbraw/zinc/44/53/39/360445339.db2.gz YBPXZGYMVAXPEW-BXUZGUMPSA-N 2 1 245.326 1.365 10 0 BDAEMP FC1(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000309574358 491151977 /nfs/dbraw/zinc/15/19/77/491151977.db2.gz OGTUMDXKSOAPOM-JTQLQIEISA-N 2 1 223.295 1.537 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000448549071 201215501 /nfs/dbraw/zinc/21/55/01/201215501.db2.gz NRIPULNJIKQZBW-AAEUAGOBSA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000448549071 201215505 /nfs/dbraw/zinc/21/55/05/201215505.db2.gz NRIPULNJIKQZBW-AAEUAGOBSA-N 2 1 237.347 1.427 10 0 BDAEMP C[C@@H]1[C@@H](O)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000448549107 201216547 /nfs/dbraw/zinc/21/65/47/201216547.db2.gz XABXSVSPFBUMQA-AGIUHOORSA-N 2 1 226.364 1.316 10 0 BDAEMP C[C@@H]1[C@@H](O)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000448549107 201216550 /nfs/dbraw/zinc/21/65/50/201216550.db2.gz XABXSVSPFBUMQA-AGIUHOORSA-N 2 1 226.364 1.316 10 0 BDAEMP C[C@@H]1[C@@H](O)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000448549107 201216553 /nfs/dbraw/zinc/21/65/53/201216553.db2.gz XABXSVSPFBUMQA-AGIUHOORSA-N 2 1 226.364 1.316 10 0 BDAEMP [NH3+]C1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095077313 181340440 /nfs/dbraw/zinc/34/04/40/181340440.db2.gz SKKIAZTZDPDVBH-UHFFFAOYSA-N 2 1 216.328 2.000 10 0 BDAEMP C[C@H]1CC[C@](C[NH3+])([NH+]2CCSCC2)C1 ZINC000070644401 361693457 /nfs/dbraw/zinc/69/34/57/361693457.db2.gz QNFJCSZIWXHTKP-QWRGUYRKSA-N 2 1 214.378 1.553 10 0 BDAEMP C=Cc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])cc1 ZINC000725241574 541329931 /nfs/dbraw/zinc/32/99/31/541329931.db2.gz ZSGISOJMFBOCIA-OLZOCXBDSA-N 2 1 202.301 1.734 10 0 BDAEMP CO[C@H]1C[N@@H+](CC2CC=CC2)[C@@](C)(C[NH3+])C1 ZINC000630365431 364083272 /nfs/dbraw/zinc/08/32/72/364083272.db2.gz HXPLHXSZMPNYMF-CHWSQXEVSA-N 2 1 224.348 1.391 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC2CC=CC2)[C@@](C)(C[NH3+])C1 ZINC000630365433 364083622 /nfs/dbraw/zinc/08/36/22/364083622.db2.gz HXPLHXSZMPNYMF-QWHCGFSZSA-N 2 1 224.348 1.391 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H](CO)C2)CCCCC1 ZINC000051206156 181359322 /nfs/dbraw/zinc/35/93/22/181359322.db2.gz UREPYCKCUYUGBG-CYBMUJFWSA-N 2 1 240.391 1.600 10 0 BDAEMP Cc1cccc(N2C[C@@H](C[NH3+])[C@H](C)C2)[nH+]1 ZINC000630568695 364264737 /nfs/dbraw/zinc/26/47/37/364264737.db2.gz IQEYYYMRSRHPBQ-MWLCHTKSSA-N 2 1 205.305 1.421 10 0 BDAEMP CC(C)C1(C[NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000398968635 364377714 /nfs/dbraw/zinc/37/77/14/364377714.db2.gz UCHPNDPMYUGCOK-UHFFFAOYSA-N 2 1 240.391 1.469 10 0 BDAEMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000576209064 365521339 /nfs/dbraw/zinc/52/13/39/365521339.db2.gz OJKYJZPVXVLEMT-UPJWGTAASA-N 3 1 227.396 1.304 10 0 BDAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380979584 367329690 /nfs/dbraw/zinc/32/96/90/367329690.db2.gz CDSGQAAWDAPNFP-RTXFEEFZSA-N 2 1 226.364 1.220 10 0 BDAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380979584 367329694 /nfs/dbraw/zinc/32/96/94/367329694.db2.gz CDSGQAAWDAPNFP-RTXFEEFZSA-N 2 1 226.364 1.220 10 0 BDAEMP CCC[N@@H+](CC)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581937822 367964173 /nfs/dbraw/zinc/96/41/73/367964173.db2.gz UWYWTUDBHYAZPF-UONOGXRCSA-N 2 1 241.423 1.696 10 0 BDAEMP CCC[N@@H+](CC)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581937820 367964389 /nfs/dbraw/zinc/96/43/89/367964389.db2.gz UWYWTUDBHYAZPF-KBPBESRZSA-N 2 1 241.423 1.696 10 0 BDAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CCCO[C@H](C)C1 ZINC000252842411 368163643 /nfs/dbraw/zinc/16/36/43/368163643.db2.gz COJAZENALVBDCJ-AXFHLTTASA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+]1CCS[C@H](C)C1 ZINC000252982278 368176437 /nfs/dbraw/zinc/17/64/37/368176437.db2.gz VQPCVRMZWCQBNL-OUAUKWLOSA-N 2 1 214.378 1.422 10 0 BDAEMP [NH3+]CCN1C[C@@H](c2cnc[nH]2)Nc2ccccc21 ZINC000616693752 369115651 /nfs/dbraw/zinc/11/56/51/369115651.db2.gz XUXLHUBDLQAUJW-LBPRGKRZSA-N 2 1 243.314 1.342 10 0 BDAEMP [NH3+][C@@H]1CCC[C@H]1C[N@H+]1CCCSCC1 ZINC000053879802 181584658 /nfs/dbraw/zinc/58/46/58/181584658.db2.gz DRUFWMVZHWGVDP-WDEREUQCSA-N 2 1 214.378 1.553 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 ZINC000132792331 371923835 /nfs/dbraw/zinc/92/38/35/371923835.db2.gz LOMGLRAUQAZDOU-VPOLOUISSA-N 2 1 214.378 1.692 10 0 BDAEMP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838219 372630972 /nfs/dbraw/zinc/63/09/72/372630972.db2.gz KRGHAQDZBMARHX-MXWKQRLJSA-N 2 1 220.320 1.064 10 0 BDAEMP C[C@H](c1cnccn1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838219 372630979 /nfs/dbraw/zinc/63/09/79/372630979.db2.gz KRGHAQDZBMARHX-MXWKQRLJSA-N 2 1 220.320 1.064 10 0 BDAEMP COCc1cccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838893 372634498 /nfs/dbraw/zinc/63/44/98/372634498.db2.gz WNLLCTYAIKEGJR-WFASDCNBSA-N 2 1 248.370 1.860 10 0 BDAEMP CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000037097929 169085735 /nfs/dbraw/zinc/08/57/35/169085735.db2.gz SJSGTWQZMNILRK-NSHDSACASA-N 2 1 249.358 1.814 10 0 BDAEMP CCC[N@H+](CCC[NH3+])CC(=O)N[C@@H](C)C(C)C ZINC000049307598 169156186 /nfs/dbraw/zinc/15/61/86/169156186.db2.gz HXHMBPDJHUAGMQ-LBPRGKRZSA-N 2 1 243.395 1.208 10 0 BDAEMP CCC[N@@H+](CCC[NH3+])CC(=O)N[C@@H](C)C(C)C ZINC000049307598 169156188 /nfs/dbraw/zinc/15/61/88/169156188.db2.gz HXHMBPDJHUAGMQ-LBPRGKRZSA-N 2 1 243.395 1.208 10 0 BDAEMP CCC[N@@H+](CC[C@H](C[NH3+])OCC)CCN(C)C ZINC000062741207 169170478 /nfs/dbraw/zinc/17/04/78/169170478.db2.gz PWAPBKRBODMHDN-CYBMUJFWSA-N 2 1 245.411 1.014 10 0 BDAEMP CCC[N@@H+](CC[C@@H](C[NH3+])OCC)CCN(C)C ZINC000062741206 169171291 /nfs/dbraw/zinc/17/12/91/169171291.db2.gz PWAPBKRBODMHDN-ZDUSSCGKSA-N 2 1 245.411 1.014 10 0 BDAEMP CCCNC(=O)C[N@H+](C)Cc1ccccc1C[NH3+] ZINC000037757668 169219815 /nfs/dbraw/zinc/21/98/15/169219815.db2.gz RJACFSUUOMGAQV-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCCNC(=O)C[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000037757668 169219816 /nfs/dbraw/zinc/21/98/16/169219816.db2.gz RJACFSUUOMGAQV-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCC[NH2+]C1CCN(C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000037647605 169255701 /nfs/dbraw/zinc/25/57/01/169255701.db2.gz FEHQXKJVHFKRRU-CYBMUJFWSA-N 2 1 239.407 1.402 10 0 BDAEMP CCC[NH2+]C[C@H]1CC[N@@H+](CCCC[NH+](C)C)C1 ZINC000053034561 169264863 /nfs/dbraw/zinc/26/48/63/169264863.db2.gz JKPMTPRFDZPJKH-CQSZACIVSA-N 3 1 241.423 1.650 10 0 BDAEMP CCCO[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000042422760 169311798 /nfs/dbraw/zinc/31/17/98/169311798.db2.gz KUYPRTTZEVAHGC-ZDUSSCGKSA-N 2 1 226.364 1.629 10 0 BDAEMP CCC[NH2+][C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000040715859 169291444 /nfs/dbraw/zinc/29/14/44/169291444.db2.gz PSNFSOTYRUOTQR-QWHCGFSZSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@@H]1C[C@@]2(CC[N@H+]1C)NCCCS2 ZINC000156984323 384101866 /nfs/dbraw/zinc/10/18/66/384101866.db2.gz JDOPQBNBZPLYHI-ZJUUUORDSA-N 2 1 200.351 1.523 10 0 BDAEMP C[C@@H]([NH3+])[C@H]([NH+]1CCSCC1)C(C)(C)C ZINC000043291933 384723461 /nfs/dbraw/zinc/72/34/61/384723461.db2.gz LQTSIOVIYHHEFU-ZJUUUORDSA-N 2 1 216.394 1.797 10 0 BDAEMP c1cn(CC[N@H+]2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000163012167 384720096 /nfs/dbraw/zinc/72/00/96/384720096.db2.gz XOHCOCOAHIFELN-ZDUSSCGKSA-N 2 1 245.330 1.833 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@H+]([C@@H]2CCSC2)C1 ZINC000258093473 385537143 /nfs/dbraw/zinc/53/71/43/385537143.db2.gz KJGDTWZLCFUXGF-VHSXEESVSA-N 2 1 200.351 1.033 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]C1CCCC1)C2 ZINC000309644663 385767830 /nfs/dbraw/zinc/76/78/30/385767830.db2.gz VOXNCZRWMIWWTM-LLVKDONJSA-N 2 1 219.332 1.978 10 0 BDAEMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000414080607 385951960 /nfs/dbraw/zinc/95/19/60/385951960.db2.gz DIFMPAMXTYLJIL-SRVKXCTJSA-N 2 1 228.380 1.323 10 0 BDAEMP CC[C@@H]([NH3+])CNc1cc[nH+]cc1Br ZINC000165051003 386504338 /nfs/dbraw/zinc/50/43/38/386504338.db2.gz CHUBADJCUBZSJI-SSDOTTSWSA-N 2 1 244.136 1.993 10 0 BDAEMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000396600002 386785514 /nfs/dbraw/zinc/78/55/14/386785514.db2.gz MVZUKEXAFHFCGR-WYUUTHIRSA-N 2 1 212.337 1.142 10 0 BDAEMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1[C@H]1CCSC1 ZINC000575480275 387170193 /nfs/dbraw/zinc/17/01/93/387170193.db2.gz HSFOMFYBYVWCCI-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1[C@H]1CCSC1 ZINC000575480275 387170202 /nfs/dbraw/zinc/17/02/02/387170202.db2.gz HSFOMFYBYVWCCI-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP O[C@@]1(C2C[NH2+]C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000306493009 387217622 /nfs/dbraw/zinc/21/76/22/387217622.db2.gz YKEMCNPFJJXPJU-HNNXBMFYSA-N 2 1 246.354 1.233 10 0 BDAEMP C[C@@H]1CS[C@](C)([C@@H]2CCC[NH2+]C2)[NH2+]1 ZINC000575518236 387436603 /nfs/dbraw/zinc/43/66/03/387436603.db2.gz RJTGZRDOQQLQQD-OPRDCNLKSA-N 2 1 200.351 1.427 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000643454659 387385479 /nfs/dbraw/zinc/38/54/79/387385479.db2.gz LDXCZWQCGPSSJG-RWMBFGLXSA-N 2 1 237.391 1.201 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000643454659 387385486 /nfs/dbraw/zinc/38/54/86/387385486.db2.gz LDXCZWQCGPSSJG-RWMBFGLXSA-N 2 1 237.391 1.201 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CCCSCC1 ZINC000575513658 387387624 /nfs/dbraw/zinc/38/76/24/387387624.db2.gz DRKRHAOHQPLIMA-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1CCCSCC1 ZINC000575513658 387387628 /nfs/dbraw/zinc/38/76/28/387387628.db2.gz DRKRHAOHQPLIMA-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cscn1 ZINC000643512564 387595712 /nfs/dbraw/zinc/59/57/12/387595712.db2.gz ZHXMUIDUBVPHRJ-LPEHRKFASA-N 2 1 225.361 1.921 10 0 BDAEMP C[C@H]([NH2+]CCN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643459129 387831234 /nfs/dbraw/zinc/83/12/34/387831234.db2.gz BCVANIZKEUJYAX-KBPBESRZSA-N 2 1 239.407 1.450 10 0 BDAEMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000423015972 387838224 /nfs/dbraw/zinc/83/82/24/387838224.db2.gz ARVQCSBVLOQORK-WOPDTQHZSA-N 2 1 226.364 1.532 10 0 BDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC000156185112 387934426 /nfs/dbraw/zinc/93/44/26/387934426.db2.gz LLFCURKEIMRNKS-LBPRGKRZSA-N 2 1 240.391 1.421 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]C1 ZINC000086724680 388108332 /nfs/dbraw/zinc/10/83/32/388108332.db2.gz DUSAGAPADCQHOE-CHWSQXEVSA-N 2 1 225.380 1.202 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000086933088 388111183 /nfs/dbraw/zinc/11/11/83/388111183.db2.gz WRAHSUAYUPGDRC-QWHCGFSZSA-N 2 1 225.380 1.140 10 0 BDAEMP CCCCOCCC[NH2+][C@H]1CC[NH2+]C1 ZINC000229341139 388787113 /nfs/dbraw/zinc/78/71/13/388787113.db2.gz JQNKTUVCANSVCL-NSHDSACASA-N 2 1 200.326 1.145 10 0 BDAEMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400390085 533380530 /nfs/dbraw/zinc/38/05/30/533380530.db2.gz ZMNRIJSCOUEATC-KGLIPLIRSA-N 3 1 239.407 1.450 10 0 BDAEMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCO)c2ccccc21 ZINC000169234948 134250074 /nfs/dbraw/zinc/25/00/74/134250074.db2.gz YIZGIYGJSUUBQV-VXGBXAGGSA-N 2 1 206.289 1.103 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000251410530 135069291 /nfs/dbraw/zinc/06/92/91/135069291.db2.gz NSRZJTPUUCNZHM-KBPBESRZSA-N 2 1 239.407 1.530 10 0 BDAEMP CC1(C)C[N@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000258902517 135135162 /nfs/dbraw/zinc/13/51/62/135135162.db2.gz UYOCGHVPZRGDIJ-GFCCVEGCSA-N 2 1 219.332 1.641 10 0 BDAEMP CC1(C)C[N@@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000258902517 135135164 /nfs/dbraw/zinc/13/51/64/135135164.db2.gz UYOCGHVPZRGDIJ-GFCCVEGCSA-N 2 1 219.332 1.641 10 0 BDAEMP Cc1cc[nH+]c(N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000257658241 135138260 /nfs/dbraw/zinc/13/82/60/135138260.db2.gz RKGIVZBVGWTQLW-QWRGUYRKSA-N 2 1 205.305 1.929 10 0 BDAEMP CCOCC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261529750 135156637 /nfs/dbraw/zinc/15/66/37/135156637.db2.gz UZPNBUNABMKJAD-SNVBAGLBSA-N 2 1 200.326 1.082 10 0 BDAEMP FC1(F)CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261538293 135175520 /nfs/dbraw/zinc/17/55/20/135175520.db2.gz WOWXKQJZLJMEIF-UTUOFQBUSA-N 2 1 244.329 1.963 10 0 BDAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cncc(F)c3)C[C@H]21 ZINC000261550473 135188908 /nfs/dbraw/zinc/18/89/08/135188908.db2.gz NSQLNZQOKSLEOO-MRVWCRGKSA-N 2 1 249.333 1.780 10 0 BDAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]21 ZINC000261550473 135188909 /nfs/dbraw/zinc/18/89/09/135188909.db2.gz NSQLNZQOKSLEOO-MRVWCRGKSA-N 2 1 249.333 1.780 10 0 BDAEMP Cc1cccc(N2CC[C@H]([NH3+])C(C)(C)C2)[nH+]1 ZINC000261588832 135229576 /nfs/dbraw/zinc/22/95/76/135229576.db2.gz SPFHHZAGWUCIEJ-NSHDSACASA-N 2 1 219.332 1.954 10 0 BDAEMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261779858 135252815 /nfs/dbraw/zinc/25/28/15/135252815.db2.gz TWWXRXPMOURPGE-LLVKDONJSA-N 2 1 222.336 1.277 10 0 BDAEMP Cc1n[nH]cc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261779858 135252816 /nfs/dbraw/zinc/25/28/16/135252816.db2.gz TWWXRXPMOURPGE-LLVKDONJSA-N 2 1 222.336 1.277 10 0 BDAEMP C(CC1CC1)[NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261873319 135259028 /nfs/dbraw/zinc/25/90/28/135259028.db2.gz DKHDHUPQHNHGDO-MELADBBJSA-N 2 1 238.375 1.533 10 0 BDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1coc2ccccc12 ZINC000262130923 135280432 /nfs/dbraw/zinc/28/04/32/135280432.db2.gz NXNUOOUGURFFEH-GWCFXTLKSA-N 2 1 246.310 1.103 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000263116733 135333933 /nfs/dbraw/zinc/33/39/33/135333933.db2.gz AQIRRTMXSYIUBV-ZYHUDNBSSA-N 2 1 240.734 1.010 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000263115269 135334443 /nfs/dbraw/zinc/33/44/43/135334443.db2.gz AOVCZRIRURLUOB-CMPLNLGQSA-N 2 1 240.734 1.010 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)Cc1cncn1C ZINC000177179102 397790096 /nfs/dbraw/zinc/79/00/96/397790096.db2.gz PAWGAFFTQPEJKW-LBPRGKRZSA-N 2 1 236.363 1.336 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000052015185 398017643 /nfs/dbraw/zinc/01/76/43/398017643.db2.gz FJUMRSWHHPFQIJ-VXGBXAGGSA-N 2 1 223.320 1.085 10 0 BDAEMP Cn1c2ccccc2[nH+]c1NC1CC[NH2+]CC1 ZINC000079047753 487568730 /nfs/dbraw/zinc/56/87/30/487568730.db2.gz RBVFXCQROQWHMM-UHFFFAOYSA-N 2 1 230.315 1.737 10 0 BDAEMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CCC(C)CC2)CCO1 ZINC000132653279 409726304 /nfs/dbraw/zinc/72/63/04/409726304.db2.gz NOYHKIKFNFSKHF-HHTDUIENSA-N 2 1 240.391 1.861 10 0 BDAEMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC(C)CC2)CCO1 ZINC000132653279 409726310 /nfs/dbraw/zinc/72/63/10/409726310.db2.gz NOYHKIKFNFSKHF-HHTDUIENSA-N 2 1 240.391 1.861 10 0 BDAEMP CC(C)[N@H+]1CC[C@H](N2CCCC[C@@H]2C[NH3+])C1 ZINC000045659849 167024947 /nfs/dbraw/zinc/02/49/47/167024947.db2.gz PHPARFDDGFWEDT-OLZOCXBDSA-N 2 1 225.380 1.282 10 0 BDAEMP CC(C)[N@H+]1CC[C@](C[NH3+])(N(C)CC2CCC2)C1 ZINC000061455220 167026992 /nfs/dbraw/zinc/02/69/92/167026992.db2.gz HQTCBRFSNRMXKM-CQSZACIVSA-N 2 1 239.407 1.530 10 0 BDAEMP CC(C)[NH2+]CC1CC[NH+](Cc2ncccn2)CC1 ZINC000054460411 167100856 /nfs/dbraw/zinc/10/08/56/167100856.db2.gz LDESCFRBNNQBLZ-UHFFFAOYSA-N 2 1 248.374 1.687 10 0 BDAEMP CC(C)[NH2+]CCCCN1CC[NH+](C(C)C)CC1 ZINC000037634949 167102029 /nfs/dbraw/zinc/10/20/29/167102029.db2.gz ZVOIAXPAAOEPGB-UHFFFAOYSA-N 2 1 241.423 1.791 10 0 BDAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000070073324 167113269 /nfs/dbraw/zinc/11/32/69/167113269.db2.gz PPOYMVVCUXQABR-KBPBESRZSA-N 2 1 242.407 1.979 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000053031653 167115584 /nfs/dbraw/zinc/11/55/84/167115584.db2.gz PPAWVMOHGZEENO-CHWSQXEVSA-N 2 1 225.380 1.010 10 0 BDAEMP CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557091 167372785 /nfs/dbraw/zinc/37/27/85/167372785.db2.gz MNCUGTAZJFHDCT-VXGBXAGGSA-N 2 1 243.395 1.077 10 0 BDAEMP CC1CCC(C[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000313391746 168154183 /nfs/dbraw/zinc/15/41/83/168154183.db2.gz VJTBMKDKROGKSH-JXQTWKCFSA-N 2 1 240.391 1.862 10 0 BDAEMP CC1CCN([C@]2(C[NH3+])CC[N@H+](C3CC3)C2)CC1 ZINC000061989990 168187983 /nfs/dbraw/zinc/18/79/83/168187983.db2.gz WERWPKIPKDOBAW-AWEZNQCLSA-N 2 1 237.391 1.284 10 0 BDAEMP CC[C@H]1C[N@H+](Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000122375703 411431616 /nfs/dbraw/zinc/43/16/16/411431616.db2.gz GVGMREXICPWOLX-AAEUAGOBSA-N 2 1 236.363 1.288 10 0 BDAEMP CC[C@H]1C[N@@H+](Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000122375703 411431617 /nfs/dbraw/zinc/43/16/17/411431617.db2.gz GVGMREXICPWOLX-AAEUAGOBSA-N 2 1 236.363 1.288 10 0 BDAEMP c1nc2n(c1C[NH2+]Cc1ccccn1)CCC2 ZINC000657286346 411445431 /nfs/dbraw/zinc/44/54/31/411445431.db2.gz OUIYIEIAJJFRNS-UHFFFAOYSA-N 2 1 228.299 1.514 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+]CCCn2ccnc2)C1 ZINC000049327983 170014907 /nfs/dbraw/zinc/01/49/07/170014907.db2.gz OUQUVEQPWYXYHK-CYBMUJFWSA-N 2 1 236.363 1.205 10 0 BDAEMP CC[N@H+]1CCc2ccccc2[C@H]1CC[NH3+] ZINC000011802510 170024824 /nfs/dbraw/zinc/02/48/24/170024824.db2.gz HHMKRRDOOPRYOB-CYBMUJFWSA-N 2 1 204.317 1.955 10 0 BDAEMP CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095091546 170121136 /nfs/dbraw/zinc/12/11/36/170121136.db2.gz KRFQBCLKCBRFQB-CABCVRRESA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095091546 170121138 /nfs/dbraw/zinc/12/11/38/170121138.db2.gz KRFQBCLKCBRFQB-CABCVRRESA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+]Cc1cc(C[N@@H+](C)CCCOC)on1 ZINC000062035997 170125587 /nfs/dbraw/zinc/12/55/87/170125587.db2.gz SMUIBNCITWTRTQ-UHFFFAOYSA-N 2 1 241.335 1.252 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818332 170150276 /nfs/dbraw/zinc/15/02/76/170150276.db2.gz HLTLZXRCLWOTFQ-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](CCc2ccncc2)C[C@@H]1C ZINC000049712957 170152181 /nfs/dbraw/zinc/15/21/81/170152181.db2.gz BXRPKCDARVXBJN-DZGCQCFKSA-N 2 1 247.386 1.944 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccncc2)C[C@@H]1C ZINC000049712957 170152183 /nfs/dbraw/zinc/15/21/83/170152183.db2.gz BXRPKCDARVXBJN-DZGCQCFKSA-N 2 1 247.386 1.944 10 0 BDAEMP CC[NH2+][C@@H]1CCOC[C@@H]1n1cc[nH+]c1C ZINC000043993852 170152878 /nfs/dbraw/zinc/15/28/78/170152878.db2.gz XRBFWFZODTUCOE-MNOVXSKESA-N 2 1 209.293 1.131 10 0 BDAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@@H+](CC)CCO ZINC000053869607 170168453 /nfs/dbraw/zinc/16/84/53/170168453.db2.gz RUKKHNHUGFUSGS-MJBXVCDLSA-N 2 1 242.407 1.715 10 0 BDAEMP CC[C@@](C)(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]1CO ZINC000051255015 171166325 /nfs/dbraw/zinc/16/63/25/171166325.db2.gz DEOHAHATTGWBSS-KGLIPLIRSA-N 2 1 240.391 1.611 10 0 BDAEMP CC[C@@](C)(C[NH3+])C[N@H+]1CCCOCC1 ZINC000061934577 171166747 /nfs/dbraw/zinc/16/67/47/171166747.db2.gz MONITFDOCVBYCC-NSHDSACASA-N 2 1 200.326 1.084 10 0 BDAEMP CC[C@H](C)[N@H+](CCOC)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042578509 171315067 /nfs/dbraw/zinc/31/50/67/171315067.db2.gz QQOJTOIZNFMEEO-XQQFMLRXSA-N 2 1 244.379 1.097 10 0 BDAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042578509 171315069 /nfs/dbraw/zinc/31/50/69/171315069.db2.gz QQOJTOIZNFMEEO-XQQFMLRXSA-N 2 1 244.379 1.097 10 0 BDAEMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000665235927 412177023 /nfs/dbraw/zinc/17/70/23/412177023.db2.gz CMOGXXISCYLDOZ-CHWSQXEVSA-N 2 1 239.407 1.591 10 0 BDAEMP CCc1[nH+]ccn1C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052593177 172025432 /nfs/dbraw/zinc/02/54/32/172025432.db2.gz WZQVZHVWQQTBHC-OLZOCXBDSA-N 2 1 249.358 1.745 10 0 BDAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1 ZINC000042899619 172028998 /nfs/dbraw/zinc/02/89/98/172028998.db2.gz IUQHYUPZAORMJY-LBPRGKRZSA-N 2 1 215.300 1.994 10 0 BDAEMP CCn1cc[nH+]c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000050608535 172227212 /nfs/dbraw/zinc/22/72/12/172227212.db2.gz UTLVWBGXPNDHCW-NSHDSACASA-N 2 1 234.347 1.799 10 0 BDAEMP CN(CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000104357227 173008419 /nfs/dbraw/zinc/00/84/19/173008419.db2.gz IMKIWQWCMYFYMZ-UONOGXRCSA-N 2 1 239.407 1.545 10 0 BDAEMP C[N@H+]1CCCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053864014 173014039 /nfs/dbraw/zinc/01/40/39/173014039.db2.gz IUAFZKBPUZEPNL-KBPBESRZSA-N 2 1 239.407 1.532 10 0 BDAEMP CN1CCC[N@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053864014 173014040 /nfs/dbraw/zinc/01/40/40/173014040.db2.gz IUAFZKBPUZEPNL-KBPBESRZSA-N 2 1 239.407 1.532 10 0 BDAEMP CN1CCC[N@@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053864014 173014041 /nfs/dbraw/zinc/01/40/41/173014041.db2.gz IUAFZKBPUZEPNL-KBPBESRZSA-N 2 1 239.407 1.532 10 0 BDAEMP C[N@H+]1CCC[C@H](CNCCC[NH+]2CCCC2)C1 ZINC000044535977 173040695 /nfs/dbraw/zinc/04/06/95/173040695.db2.gz BRQHDQJODMXIAL-CQSZACIVSA-N 2 1 239.407 1.404 10 0 BDAEMP C[N@@H+]1CCC[C@H](C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000044535977 173040697 /nfs/dbraw/zinc/04/06/97/173040697.db2.gz BRQHDQJODMXIAL-CQSZACIVSA-N 3 1 239.407 1.404 10 0 BDAEMP C[N@H+]1CCC[C@H](C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000044535977 173040699 /nfs/dbraw/zinc/04/06/99/173040699.db2.gz BRQHDQJODMXIAL-CQSZACIVSA-N 3 1 239.407 1.404 10 0 BDAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CCO)C1 ZINC000336697140 173054364 /nfs/dbraw/zinc/05/43/64/173054364.db2.gz HVXSSAVIFAXPEG-STQMWFEESA-N 2 1 226.364 1.175 10 0 BDAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000336697140 173054367 /nfs/dbraw/zinc/05/43/67/173054367.db2.gz HVXSSAVIFAXPEG-STQMWFEESA-N 2 1 226.364 1.175 10 0 BDAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](CCO)C1 ZINC000336697140 173054371 /nfs/dbraw/zinc/05/43/71/173054371.db2.gz HVXSSAVIFAXPEG-STQMWFEESA-N 2 1 226.364 1.175 10 0 BDAEMP C[N@H+]1CC[C@@H](n2c(N)nc3c2cccc3F)C1 ZINC000042548534 173127083 /nfs/dbraw/zinc/12/70/83/173127083.db2.gz DHZRHSAPQIOMCP-MRVPVSSYSA-N 2 1 234.278 1.634 10 0 BDAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccccc1 ZINC000071187992 173143524 /nfs/dbraw/zinc/14/35/24/173143524.db2.gz AEPAITGNTNYIBA-ZFWWWQNUSA-N 2 1 247.386 1.570 10 0 BDAEMP C[N@H+]1CC[C@H](CNC[C@@H]2CCCC[NH+]2C)C1 ZINC000054242802 173147477 /nfs/dbraw/zinc/14/74/77/173147477.db2.gz ZFRNHSWXLFXSFQ-OLZOCXBDSA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH+]1CC[C@H](CNC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000054242802 173147479 /nfs/dbraw/zinc/14/74/79/173147479.db2.gz ZFRNHSWXLFXSFQ-OLZOCXBDSA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH+]1CC[C@H](CNC[C@@H]2CCCC[N@H+]2C)C1 ZINC000054242802 173147480 /nfs/dbraw/zinc/14/74/80/173147480.db2.gz ZFRNHSWXLFXSFQ-OLZOCXBDSA-N 2 1 225.380 1.012 10 0 BDAEMP CN1CCCC[C@H]1C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000054242802 173147482 /nfs/dbraw/zinc/14/74/82/173147482.db2.gz ZFRNHSWXLFXSFQ-OLZOCXBDSA-N 2 1 225.380 1.012 10 0 BDAEMP CN1CCCC[C@H]1C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000054242802 173147484 /nfs/dbraw/zinc/14/74/84/173147484.db2.gz ZFRNHSWXLFXSFQ-OLZOCXBDSA-N 2 1 225.380 1.012 10 0 BDAEMP C[N@H+]1CCc2cc(C[NH2+]C3CC3)sc2C1 ZINC000045206012 173169864 /nfs/dbraw/zinc/16/98/64/173169864.db2.gz JOIZEBLRDLROLG-UHFFFAOYSA-N 2 1 222.357 1.988 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000040591964 173368082 /nfs/dbraw/zinc/36/80/82/173368082.db2.gz LEAGBAXXJDCKLK-NSHDSACASA-N 2 1 208.305 1.711 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000040591964 173368083 /nfs/dbraw/zinc/36/80/83/173368083.db2.gz LEAGBAXXJDCKLK-NSHDSACASA-N 2 1 208.305 1.711 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011891996 173370343 /nfs/dbraw/zinc/37/03/43/173370343.db2.gz RLHAAZKRZKXLJJ-ZDUSSCGKSA-N 2 1 236.334 1.910 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000011891960 173371361 /nfs/dbraw/zinc/37/13/61/173371361.db2.gz KNMCIJBWPXFAAJ-LBPRGKRZSA-N 2 1 248.326 1.457 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000011891960 173371363 /nfs/dbraw/zinc/37/13/63/173371363.db2.gz KNMCIJBWPXFAAJ-LBPRGKRZSA-N 2 1 248.326 1.457 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000104319886 173373000 /nfs/dbraw/zinc/37/30/00/173373000.db2.gz GNMNXHKOVMPVEI-UONOGXRCSA-N 2 1 240.391 1.877 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@@H+](C)CC2CCCC2)CCOC1 ZINC000104367593 173373649 /nfs/dbraw/zinc/37/36/49/173373649.db2.gz PPHQPNPXXLADKS-CQSZACIVSA-N 2 1 240.391 1.735 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000050158861 173379214 /nfs/dbraw/zinc/37/92/14/173379214.db2.gz FGPZICCCTVLETR-VXGBXAGGSA-N 2 1 224.348 1.430 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCCCC2=O)C1 ZINC000050158861 173379215 /nfs/dbraw/zinc/37/92/15/173379215.db2.gz FGPZICCCTVLETR-VXGBXAGGSA-N 2 1 224.348 1.430 10 0 BDAEMP C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095075958 173382759 /nfs/dbraw/zinc/38/27/59/173382759.db2.gz TVCKUIRPRSAEMK-KBPBESRZSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095075958 173382760 /nfs/dbraw/zinc/38/27/60/173382760.db2.gz TVCKUIRPRSAEMK-KBPBESRZSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCCSCC2)O1 ZINC000052371144 173382905 /nfs/dbraw/zinc/38/29/05/173382905.db2.gz CMNDKPCGKQOTPR-NEPJUHHUSA-N 2 1 244.404 1.192 10 0 BDAEMP C[NH2+]Cc1cc(C[NH+]2CCSCC2)oc1C ZINC000052425538 173387242 /nfs/dbraw/zinc/38/72/42/173387242.db2.gz UXLXJVCPXLGVGA-UHFFFAOYSA-N 2 1 240.372 1.856 10 0 BDAEMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000037758712 173389627 /nfs/dbraw/zinc/38/96/27/173389627.db2.gz LJUYTHVLWJFDNO-LBPRGKRZSA-N 2 1 247.342 1.296 10 0 BDAEMP C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000020230880 173390220 /nfs/dbraw/zinc/39/02/20/173390220.db2.gz JDNFUXILVHKZKU-UHFFFAOYSA-N 2 1 220.316 1.238 10 0 BDAEMP C[NH2+]Cc1ccnc(-n2cc[nH+]c2C)c1 ZINC000051490982 173391911 /nfs/dbraw/zinc/39/19/11/173391911.db2.gz RGAGBMHJJVGHEA-UHFFFAOYSA-N 2 1 202.261 1.295 10 0 BDAEMP C[NH2+]Cc1coc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000052375970 173393531 /nfs/dbraw/zinc/39/35/31/173393531.db2.gz ITNRIXKZYUNSGT-JTQLQIEISA-N 2 1 208.305 1.983 10 0 BDAEMP COCCC[N@@H+](CCOC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042408709 174226377 /nfs/dbraw/zinc/22/63/77/174226377.db2.gz DJRVSYGEUDBDEP-CHWSQXEVSA-N 2 1 244.379 1.099 10 0 BDAEMP COCC[N@@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC000042517609 174284536 /nfs/dbraw/zinc/28/45/36/174284536.db2.gz WYMOZTQVCJPNFN-SGMGOOAPSA-N 2 1 240.391 1.861 10 0 BDAEMP COCC[N@@H+](CCCCC(N)=[NH2+])[C@H](C)COC ZINC000042607952 174290877 /nfs/dbraw/zinc/29/08/77/174290877.db2.gz MTWNMZAQQKKBEJ-LLVKDONJSA-N 2 1 245.367 1.076 10 0 BDAEMP COCC[N@H+](Cc1ccoc1C[NH3+])CC(C)C ZINC000052508553 174301381 /nfs/dbraw/zinc/30/13/81/174301381.db2.gz METQZXZBSGMIEW-UHFFFAOYSA-N 2 1 240.347 1.843 10 0 BDAEMP COc1ccc(CC[N@@H+](C)[C@H](C)CC[NH3+])cc1 ZINC000049828328 175090830 /nfs/dbraw/zinc/09/08/30/175090830.db2.gz JWVDYZVTUDROAW-GFCCVEGCSA-N 2 1 236.359 1.907 10 0 BDAEMP COc1ccc([C@@H](C[NH3+])n2cc[nH+]c2C)cc1 ZINC000042962249 175178327 /nfs/dbraw/zinc/17/83/27/175178327.db2.gz QTAIUBOXHHMMEW-CYBMUJFWSA-N 2 1 231.299 1.748 10 0 BDAEMP COc1cccc(C[N@H+](C)CCC(N)=[NH2+])c1 ZINC000019834305 175256158 /nfs/dbraw/zinc/25/61/58/175256158.db2.gz SNPXDGDYAAYPQN-UHFFFAOYSA-N 2 1 221.304 1.453 10 0 BDAEMP COc1cccc(C[N@@H+](C)CCC(N)=[NH2+])c1 ZINC000019834305 175256160 /nfs/dbraw/zinc/25/61/60/175256160.db2.gz SNPXDGDYAAYPQN-UHFFFAOYSA-N 2 1 221.304 1.453 10 0 BDAEMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000309427461 175918165 /nfs/dbraw/zinc/91/81/65/175918165.db2.gz AXTCYQPPMGBIPL-ZYHUDNBSSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@@H]([C@@H]1CCCO1)[N@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666225 176012461 /nfs/dbraw/zinc/01/24/61/176012461.db2.gz IGROWMUPWBFMQO-MQYQWHSLSA-N 2 1 240.391 1.874 10 0 BDAEMP C[C@@H](c1ccc[nH]1)[N@H+](C)C1CC[NH2+]CC1 ZINC000095068194 176016886 /nfs/dbraw/zinc/01/68/86/176016886.db2.gz ZRZZRXMEEUZHAS-JTQLQIEISA-N 2 1 207.321 1.760 10 0 BDAEMP C[C@@H](c1ccc[nH]1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000095068194 176016887 /nfs/dbraw/zinc/01/68/87/176016887.db2.gz ZRZZRXMEEUZHAS-JTQLQIEISA-N 2 1 207.321 1.760 10 0 BDAEMP C[C@@H](c1ccc[nH]1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068230 176017380 /nfs/dbraw/zinc/01/73/80/176017380.db2.gz GVLVCDMZIGEUFQ-WDEREUQCSA-N 2 1 207.321 1.617 10 0 BDAEMP C[C@@H](c1ccc[nH]1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068230 176017381 /nfs/dbraw/zinc/01/73/81/176017381.db2.gz GVLVCDMZIGEUFQ-WDEREUQCSA-N 2 1 207.321 1.617 10 0 BDAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2CCCO[C@H](C)C2)C1 ZINC000061934259 176229316 /nfs/dbraw/zinc/22/93/16/176229316.db2.gz SNLQJMLQDFUARP-MQYQWHSLSA-N 2 1 240.391 1.861 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCC[NH+](C)C)C1 ZINC000049666115 176328645 /nfs/dbraw/zinc/32/86/45/176328645.db2.gz TZAAJXWAVDMJRU-CHWSQXEVSA-N 3 1 227.396 1.116 10 0 BDAEMP C[C@@H]1CSC(NC[C@H]2CCC[N@@H+](C)C2)=[NH+]1 ZINC000044538330 176348809 /nfs/dbraw/zinc/34/88/09/176348809.db2.gz LHHKXIFFQPXGAT-NXEZZACHSA-N 2 1 227.377 1.409 10 0 BDAEMP C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C[NH3+] ZINC000037910048 177109592 /nfs/dbraw/zinc/10/95/92/177109592.db2.gz JPXAHZXDMKRANP-NSHDSACASA-N 2 1 247.342 1.568 10 0 BDAEMP C[C@H]1CC[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000049666853 177161810 /nfs/dbraw/zinc/16/18/10/177161810.db2.gz MORFCMNRWXSMMW-ZDUSSCGKSA-N 2 1 233.359 1.698 10 0 BDAEMP C[C@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1[NH3+] ZINC000302252392 177248692 /nfs/dbraw/zinc/24/86/92/177248692.db2.gz LEEPTTAGVCAKLI-GXTWGEPZSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1[NH3+] ZINC000302252392 177248693 /nfs/dbraw/zinc/24/86/93/177248693.db2.gz LEEPTTAGVCAKLI-GXTWGEPZSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@H]1C[NH+](Cc2cccc(C(N)=[NH2+])c2)C[C@H](C)O1 ZINC000034717530 177264299 /nfs/dbraw/zinc/26/42/99/177264299.db2.gz CYHQMPHPOABAEO-QWRGUYRKSA-N 2 1 247.342 1.580 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000049666498 177285854 /nfs/dbraw/zinc/28/58/54/177285854.db2.gz PLRWBAXDEAATJT-MELADBBJSA-N 2 1 239.407 1.116 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C[C@@H]2CC[N@H+](C)C2)C1 ZINC000049666498 177285855 /nfs/dbraw/zinc/28/58/55/177285855.db2.gz PLRWBAXDEAATJT-MELADBBJSA-N 3 1 239.407 1.116 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000049666498 177285856 /nfs/dbraw/zinc/28/58/56/177285856.db2.gz PLRWBAXDEAATJT-MELADBBJSA-N 3 1 239.407 1.116 10 0 BDAEMP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)nc1 ZINC000234329318 487803055 /nfs/dbraw/zinc/80/30/55/487803055.db2.gz JBFOQUNDWILWPW-CYBMUJFWSA-N 2 1 233.359 1.821 10 0 BDAEMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)nc1 ZINC000234329318 487803060 /nfs/dbraw/zinc/80/30/60/487803060.db2.gz JBFOQUNDWILWPW-CYBMUJFWSA-N 2 1 233.359 1.821 10 0 BDAEMP CCC[N@@H+](CC)CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400400787 527980157 /nfs/dbraw/zinc/98/01/57/527980157.db2.gz PTSFGRLWNBWDJY-QWHCGFSZSA-N 2 1 227.396 1.306 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562958475 323035190 /nfs/dbraw/zinc/03/51/90/323035190.db2.gz JUTDDTHQMVHTPY-HZSPNIEDSA-N 2 1 239.407 1.448 10 0 BDAEMP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562958475 323035191 /nfs/dbraw/zinc/03/51/91/323035191.db2.gz JUTDDTHQMVHTPY-HZSPNIEDSA-N 2 1 239.407 1.448 10 0 BDAEMP C[C@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000570507933 323061711 /nfs/dbraw/zinc/06/17/11/323061711.db2.gz UUHORMSPDROIBN-UONOGXRCSA-N 2 1 237.391 1.226 10 0 BDAEMP COC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000396603692 323312391 /nfs/dbraw/zinc/31/23/91/323312391.db2.gz BSPMKCZZFKQPHB-TUAOUCFPSA-N 2 1 214.353 1.388 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC(C)(C)[NH3+] ZINC000092629567 488099953 /nfs/dbraw/zinc/09/99/53/488099953.db2.gz PKKRGZPIEQONOH-LLVKDONJSA-N 2 1 241.379 1.057 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379448700 488137068 /nfs/dbraw/zinc/13/70/68/488137068.db2.gz INEINAWZDIYDFN-LBPRGKRZSA-N 2 1 228.380 1.466 10 0 BDAEMP Fc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)c(F)c1 ZINC000258852189 488139727 /nfs/dbraw/zinc/13/97/27/488139727.db2.gz HZVHEYLZSGLKDP-VIFPVBQESA-N 2 1 226.270 1.664 10 0 BDAEMP COc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1F ZINC000398323844 488216602 /nfs/dbraw/zinc/21/66/02/488216602.db2.gz DKJDVTBXXSTRSI-JTQLQIEISA-N 2 1 238.306 1.533 10 0 BDAEMP C(C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000127997089 490567176 /nfs/dbraw/zinc/56/71/76/490567176.db2.gz XSNCLKOMIIAARE-IHRRRGAJSA-N 2 1 238.375 1.772 10 0 BDAEMP C[NH+]1CCC2(CC1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757150156 582534195 /nfs/dbraw/zinc/53/41/95/582534195.db2.gz XFOAMDKMSGBFJN-QMMMGPOBSA-N 2 1 220.263 1.052 10 0 BDAEMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)nc1C ZINC000400379901 534087345 /nfs/dbraw/zinc/08/73/45/534087345.db2.gz WSSHSTZFNUFMIQ-CHWSQXEVSA-N 2 1 233.359 1.786 10 0 BDAEMP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400350986 528204286 /nfs/dbraw/zinc/20/42/86/528204286.db2.gz MPUWWYQRONRKPP-CHWSQXEVSA-N 3 1 239.407 1.448 10 0 BDAEMP CCC[N@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757129606 582504002 /nfs/dbraw/zinc/50/40/02/582504002.db2.gz MAVTUXWXHWJHJI-ZDUSSCGKSA-N 2 1 208.349 1.957 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757134884 582513311 /nfs/dbraw/zinc/51/33/11/582513311.db2.gz XFELTDUEADGMFW-RDBSUJKOSA-N 2 1 240.391 1.875 10 0 BDAEMP CC(=O)c1ccc([C@@H]2CC[NH2+][C@H](C[NH3+])C2)cc1 ZINC000757216879 582561871 /nfs/dbraw/zinc/56/18/71/582561871.db2.gz QRVJTOUPOSEDHZ-KGLIPLIRSA-N 2 1 232.327 1.684 10 0 BDAEMP Nc1cccc([C@@H]2CC[C@@H](C[NH3+])[NH2+]C2)c1 ZINC000757218551 582562366 /nfs/dbraw/zinc/56/23/66/582562366.db2.gz WABHZXWLJGDTIV-PWSUYJOCSA-N 2 1 205.305 1.063 10 0 BDAEMP CC(=O)c1cccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])c1 ZINC000757218012 582562568 /nfs/dbraw/zinc/56/25/68/582562568.db2.gz UQFLDSUPUKGWLX-OLZOCXBDSA-N 2 1 218.300 1.293 10 0 BDAEMP CC(=O)c1cccc([C@@H]2C[NH2+]C[C@H]([NH3+])C2)c1 ZINC000757212498 586439227 /nfs/dbraw/zinc/43/92/27/586439227.db2.gz IPXBMZFTKIKXKY-QWHCGFSZSA-N 2 1 218.300 1.293 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757213633 586439960 /nfs/dbraw/zinc/43/99/60/586439960.db2.gz LGBOEFDMKBOAFS-PWSUYJOCSA-N 2 1 215.300 1.920 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757213635 586439969 /nfs/dbraw/zinc/43/99/69/586439969.db2.gz LGBOEFDMKBOAFS-ZYHUDNBSSA-N 2 1 215.300 1.920 10 0 BDAEMP CC(C)(C)n1cc([C@H]2CC[C@H](C[NH3+])[NH2+]C2)cn1 ZINC000757227088 586442543 /nfs/dbraw/zinc/44/25/43/586442543.db2.gz AWFJZYPERWUJHL-CMPLNLGQSA-N 2 1 236.363 1.432 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1CC[NH2+][C@@H](C[NH3+])C1 ZINC000757239510 586444323 /nfs/dbraw/zinc/44/43/23/586444323.db2.gz UKMJQEHCVUGBCN-ZYHUDNBSSA-N 2 1 219.332 1.372 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257722693 634481123 /nfs/dbraw/zinc/48/11/23/634481123.db2.gz VYBHJVZIKRYIIW-STQMWFEESA-N 2 1 224.348 1.241 10 0 BDAEMP C[N@@H+](C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250454973 635698204 /nfs/dbraw/zinc/69/82/04/635698204.db2.gz WIVZMAMJSFPVBS-HNGCFSAESA-N 2 1 224.348 1.380 10 0 BDAEMP C[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)[C@@H]1C[NH3+] ZINC000053336011 634164670 /nfs/dbraw/zinc/16/46/70/634164670.db2.gz QFXCZVOIJBCJQU-GRYCIOLGSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)[C@@H]1C[NH3+] ZINC000053336011 634164680 /nfs/dbraw/zinc/16/46/80/634164680.db2.gz QFXCZVOIJBCJQU-GRYCIOLGSA-N 2 1 212.337 1.225 10 0 BDAEMP C[N@@H+](C[C@H]1CCCO1)C1(C[NH3+])CCCCC1 ZINC000042463626 637268345 /nfs/dbraw/zinc/26/83/45/637268345.db2.gz OWJGRCFCSNDYMQ-GFCCVEGCSA-N 2 1 226.364 1.759 10 0 BDAEMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000069626384 642886690 /nfs/dbraw/zinc/88/66/90/642886690.db2.gz YEZDWDXWFKPXBS-RYUDHWBXSA-N 2 1 212.337 1.226 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000250711196 643376117 /nfs/dbraw/zinc/37/61/17/643376117.db2.gz GDALKSOWTBQEFA-NWDGAFQWSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052373387 644536496 /nfs/dbraw/zinc/53/64/96/644536496.db2.gz ZOMKCXCEZQCAII-LOWDOPEQSA-N 2 1 226.364 1.613 10 0 BDAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000052381447 644536520 /nfs/dbraw/zinc/53/65/20/644536520.db2.gz LKDCRPDCBHJTHI-UTUOFQBUSA-N 2 1 212.337 1.225 10 0 BDAEMP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000094085816 644708534 /nfs/dbraw/zinc/70/85/34/644708534.db2.gz FKOXXKHMPFMPAJ-VXGBXAGGSA-N 2 1 236.363 1.249 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000251636265 644814927 /nfs/dbraw/zinc/81/49/27/644814927.db2.gz FRLNITWAGUQXFM-GRYCIOLGSA-N 2 1 212.337 1.082 10 0 BDAEMP [NH3+]C[C@@H]1C[N@H+](CCF)C[C@H]1c1ccccc1 ZINC000304214289 644876802 /nfs/dbraw/zinc/87/68/02/644876802.db2.gz FXUQTBUTFFMTBT-OLZOCXBDSA-N 2 1 222.307 1.630 10 0 BDAEMP [NH3+]C[C@@H]1C[N@@H+](CCF)C[C@H]1c1ccccc1 ZINC000304214289 644876804 /nfs/dbraw/zinc/87/68/04/644876804.db2.gz FXUQTBUTFFMTBT-OLZOCXBDSA-N 2 1 222.307 1.630 10 0 BDAEMP Cc1cc(C)nc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000723879819 711542138 /nfs/dbraw/zinc/54/21/38/711542138.db2.gz SZBTZKIPEURQHQ-YPMHNXCESA-N 2 1 233.359 1.725 10 0 BDAEMP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000724073874 711559187 /nfs/dbraw/zinc/55/91/87/711559187.db2.gz QPTHYTNFYIKCEM-QWHCGFSZSA-N 2 1 233.359 1.786 10 0 BDAEMP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)sn1 ZINC000708855498 712201306 /nfs/dbraw/zinc/20/13/06/712201306.db2.gz URXXKDOHXKBGJQ-DTWKUNHWSA-N 2 1 241.360 1.178 10 0 BDAEMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)sn1 ZINC000708855498 712201307 /nfs/dbraw/zinc/20/13/07/712201307.db2.gz URXXKDOHXKBGJQ-DTWKUNHWSA-N 2 1 241.360 1.178 10 0 BDAEMP C(C[C@H]1CCCS1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000715731936 712531088 /nfs/dbraw/zinc/53/10/88/712531088.db2.gz LUJLBJABEHVILV-NXEZZACHSA-N 2 1 200.351 1.224 10 0 BDAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12CCCSC2 ZINC000685952689 538896773 /nfs/dbraw/zinc/89/67/73/538896773.db2.gz CBPPPMBIHPJTRS-QWRGUYRKSA-N 2 1 214.378 1.694 10 0 BDAEMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000082991554 349441381 /nfs/dbraw/zinc/44/13/81/349441381.db2.gz HDWCOVATGAXMNH-AAEUAGOBSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cc(F)ccc1F ZINC000685965401 538911854 /nfs/dbraw/zinc/91/18/54/538911854.db2.gz CJUIBUKMBRNWRS-GXSJLCMTSA-N 2 1 212.243 1.369 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1Cl ZINC000685965811 538912001 /nfs/dbraw/zinc/91/20/01/538912001.db2.gz UMTPMPALSYUOGK-GXSJLCMTSA-N 2 1 210.708 1.744 10 0 BDAEMP COc1ccc(F)cc1[C@H]1C[NH2+]C[C@@]1(C)[NH3+] ZINC000685965836 538912461 /nfs/dbraw/zinc/91/24/61/538912461.db2.gz VGLGFQHERKBIHX-ZYHUDNBSSA-N 2 1 224.279 1.239 10 0 BDAEMP Cc1ccc(C)c([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965677 538912501 /nfs/dbraw/zinc/91/25/01/538912501.db2.gz OINPOFKNJKKFPT-STQMWFEESA-N 2 1 204.317 1.708 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000307515460 398173959 /nfs/dbraw/zinc/17/39/59/398173959.db2.gz MTMIRPQAXSJKSL-UTLUCORTSA-N 2 1 202.367 1.550 10 0 BDAEMP Cc1cc(C)c(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC000334867926 398236570 /nfs/dbraw/zinc/23/65/70/398236570.db2.gz JRZQGMTUEXGVBI-UHFFFAOYSA-N 2 1 219.332 1.540 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])CN1c1cc[nH+]cc1Cl ZINC000306644459 361835278 /nfs/dbraw/zinc/83/52/78/361835278.db2.gz ZQDJQFCEQDUUKK-JGVFFNPUSA-N 2 1 211.696 1.661 10 0 BDAEMP CCC[C@@H](C(=O)NCC[N@@H+](C)C(C)C)[NH+](C)C ZINC000130763727 323011947 /nfs/dbraw/zinc/01/19/47/323011947.db2.gz UAWXLFNAJLXSFO-LBPRGKRZSA-N 2 1 243.395 1.173 10 0 BDAEMP CC(C)CCC[NH2+]C1CC[NH+](CCO)CC1 ZINC000381528329 539003186 /nfs/dbraw/zinc/00/31/86/539003186.db2.gz XUYPUTWHWKHQJJ-UHFFFAOYSA-N 2 1 228.380 1.469 10 0 BDAEMP C[C@@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000575564119 343079740 /nfs/dbraw/zinc/07/97/40/343079740.db2.gz AESYNSJGQAAOOB-KBPBESRZSA-N 2 1 216.328 1.728 10 0 BDAEMP C[C@H]1SCCC[C@@]1(C[NH3+])[NH+]1CCC1 ZINC000306670208 362033424 /nfs/dbraw/zinc/03/34/24/362033424.db2.gz XKRGHBOUGOOMGJ-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H](C[NH2+]C1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000062079105 136271999 /nfs/dbraw/zinc/27/19/99/136271999.db2.gz WDJNAIGOUXOCKS-GFCCVEGCSA-N 3 1 225.380 1.060 10 0 BDAEMP C[C@@H]1[C@H](N)CCC[N@H+]1C[Si](C)(C)C ZINC000401789848 343241520 /nfs/dbraw/zinc/24/15/20/343241520.db2.gz HSTDCYKXQIAYHB-NXEZZACHSA-N 2 1 200.402 1.675 10 0 BDAEMP [NH3+][C@H]1CCCCC[C@@H]1[NH+]1CCSCC1 ZINC000040989043 343411738 /nfs/dbraw/zinc/41/17/38/343411738.db2.gz HEGNTSHAFWCHGC-QWRGUYRKSA-N 2 1 214.378 1.695 10 0 BDAEMP CCc1nc(NC[C@@H](C)C[NH3+])cc(C)[nH+]1 ZINC000308910634 346939548 /nfs/dbraw/zinc/93/95/48/346939548.db2.gz GHRLVAAFWVHOPV-QMMMGPOBSA-N 2 1 208.309 1.354 10 0 BDAEMP CC[C@H]([NH3+])CNc1[nH]c2ccccc2[nH+]1 ZINC000082579268 133502757 /nfs/dbraw/zinc/50/27/57/133502757.db2.gz KWXDNZKWPGXAGJ-QMMMGPOBSA-N 2 1 204.277 1.712 10 0 BDAEMP CC[N@@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000405378565 343812282 /nfs/dbraw/zinc/81/22/82/343812282.db2.gz IKOALGKEPAGNQD-LLVKDONJSA-N 2 1 214.378 1.566 10 0 BDAEMP CCCC[C@@H](C[NH3+])Nc1cc(C)[nH+]c(CC)n1 ZINC000336719715 346982193 /nfs/dbraw/zinc/98/21/93/346982193.db2.gz WCGUXHISZPTTQV-NSHDSACASA-N 2 1 236.363 1.699 10 0 BDAEMP [NH3+]CCC[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000409425884 343820956 /nfs/dbraw/zinc/82/09/56/343820956.db2.gz HEPQZUKENCYTJC-LBPRGKRZSA-N 2 1 212.337 1.370 10 0 BDAEMP [NH3+]CCC[N@H+]1C[C@H]2CCC(F)(F)[C@@H]2C1 ZINC000409433111 343826538 /nfs/dbraw/zinc/82/65/38/343826538.db2.gz XJCCDWVBOGRTHB-RKDXNWHRSA-N 2 1 204.264 1.312 10 0 BDAEMP CC(C)C[C@@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409435796 343839938 /nfs/dbraw/zinc/83/99/38/343839938.db2.gz WOPXZLYJMAQCBK-TZMCWYRMSA-N 2 1 240.391 1.467 10 0 BDAEMP Cc1ccc(C[C@H]2C[N@@H+](C)CC[C@@H]2[NH3+])cc1 ZINC000022130083 343908128 /nfs/dbraw/zinc/90/81/28/343908128.db2.gz ZXIGWTDJDQHKDK-KBPBESRZSA-N 2 1 218.344 1.817 10 0 BDAEMP CNc1cc(-c2cccc(C[NH3+])c2)[nH+]c(N)n1 ZINC000209419155 344124796 /nfs/dbraw/zinc/12/47/96/344124796.db2.gz FJDFCDGHJLBGAT-UHFFFAOYSA-N 2 1 229.287 1.226 10 0 BDAEMP F[C@@]1([C@@H]2CCCCC[NH2+]2)CCC[NH2+]C1 ZINC000158093090 344541937 /nfs/dbraw/zinc/54/19/37/344541937.db2.gz MGKHDXJIYFGYIR-QWRGUYRKSA-N 2 1 200.301 1.610 10 0 BDAEMP CC(C)(C)[C@](F)(C[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000158376025 344630207 /nfs/dbraw/zinc/63/02/07/344630207.db2.gz OAHNZWQJNVJYKT-ONGXEEELSA-N 2 1 202.317 1.842 10 0 BDAEMP C[C@@H]1SCC[C@@]1(C[NH3+])[NH+]1CCCC1 ZINC000235333240 344887447 /nfs/dbraw/zinc/88/74/47/344887447.db2.gz AAKJVOSNXWLKGZ-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000248004810 345010583 /nfs/dbraw/zinc/01/05/83/345010583.db2.gz AFILRTQJTZQUQW-UONOGXRCSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000248004810 345010584 /nfs/dbraw/zinc/01/05/84/345010584.db2.gz AFILRTQJTZQUQW-UONOGXRCSA-N 2 1 234.343 1.089 10 0 BDAEMP CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000248248262 345088855 /nfs/dbraw/zinc/08/88/55/345088855.db2.gz KRFQBCLKCBRFQB-HUUCEWRRSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000248248262 345088859 /nfs/dbraw/zinc/08/88/59/345088859.db2.gz KRFQBCLKCBRFQB-HUUCEWRRSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)CC12CC(C1)C[NH2+]2 ZINC000634992354 345180236 /nfs/dbraw/zinc/18/02/36/345180236.db2.gz MDIIGBPIAYWUCS-MOKVOYLWSA-N 2 1 237.391 1.155 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000634998241 345198444 /nfs/dbraw/zinc/19/84/44/345198444.db2.gz CJPCEGHBWORHMF-ONGXEEELSA-N 2 1 210.346 1.775 10 0 BDAEMP C[C@H]1CC(C2=C[C@@H]([NH3+])C[NH2+]C2)C[C@H](C)C1 ZINC000675077239 537893887 /nfs/dbraw/zinc/89/38/87/537893887.db2.gz BIKUCAGSYDWBIH-GIPNMCIBSA-N 2 1 208.349 1.916 10 0 BDAEMP c1coc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000390510277 346083590 /nfs/dbraw/zinc/08/35/90/346083590.db2.gz ZENIBGLIBWLMOW-JTQLQIEISA-N 2 1 217.272 1.581 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000250715504 362818298 /nfs/dbraw/zinc/81/82/98/362818298.db2.gz GZRAJPODPKZBQG-MNOVXSKESA-N 2 1 214.378 1.423 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCCSC2)C1 ZINC000250768356 362819390 /nfs/dbraw/zinc/81/93/90/362819390.db2.gz UBZZTJZRQULCIR-MNOVXSKESA-N 2 1 214.378 1.423 10 0 BDAEMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CCC[NH2+]C1 ZINC000420165857 192167255 /nfs/dbraw/zinc/16/72/55/192167255.db2.gz NPLYKVHUSWIFOS-NXEZZACHSA-N 2 1 245.330 1.758 10 0 BDAEMP C[C@H]1CC[C@@H](O)C[N@H+]1CCCn1ccnc1 ZINC000399303304 323203430 /nfs/dbraw/zinc/20/34/30/323203430.db2.gz XZWCEWHHJCOVRZ-NWDGAFQWSA-N 2 1 223.320 1.118 10 0 BDAEMP CN(C)c1cc(CC[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000616580646 349258976 /nfs/dbraw/zinc/25/89/76/349258976.db2.gz YSMJBUZKYIBNFI-GFCCVEGCSA-N 2 1 235.331 1.069 10 0 BDAEMP Cc1cccc(C[C@H]2C[N@@H+](C)CC[C@@H]2[NH3+])c1 ZINC000022130081 350113403 /nfs/dbraw/zinc/11/34/03/350113403.db2.gz PJBGXUDMHIMCNH-KBPBESRZSA-N 2 1 218.344 1.817 10 0 BDAEMP Cc1[nH+]c2c(n1CC[NH+](C)C)CCCC2 ZINC000076095353 180072317 /nfs/dbraw/zinc/07/23/17/180072317.db2.gz PZLUBBMYYVRNOQ-UHFFFAOYSA-N 2 1 207.321 1.632 10 0 BDAEMP Cc1[nH+]c2cc(N)ccc2n1CC[NH+](C)C ZINC000052842595 180081871 /nfs/dbraw/zinc/08/18/71/180081871.db2.gz WIAJZOYLSSYRNX-UHFFFAOYSA-N 2 1 218.304 1.489 10 0 BDAEMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(C)c1C ZINC000270022305 180245674 /nfs/dbraw/zinc/24/56/74/180245674.db2.gz APHMEBUQYUWXDQ-UHFFFAOYSA-N 2 1 247.346 1.413 10 0 BDAEMP Cc1nccn1CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070975624 180250755 /nfs/dbraw/zinc/25/07/55/180250755.db2.gz KFIJYSYAKROCHY-ZDUSSCGKSA-N 2 1 236.363 1.395 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)CC[N@@H+]1C ZINC000252204297 538084993 /nfs/dbraw/zinc/08/49/93/538084993.db2.gz WWKRZISCYWOKRU-AAVRWANBSA-N 2 1 240.391 1.752 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)CC[N@H+]1C ZINC000252204297 538084996 /nfs/dbraw/zinc/08/49/96/538084996.db2.gz WWKRZISCYWOKRU-AAVRWANBSA-N 2 1 240.391 1.752 10 0 BDAEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1cccs1 ZINC000011848634 180268914 /nfs/dbraw/zinc/26/89/14/180268914.db2.gz LYDHPSPBGPZMJU-VIFPVBQESA-N 2 1 207.302 1.953 10 0 BDAEMP Cc1[nH+]ccn1C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000035727643 180269917 /nfs/dbraw/zinc/26/99/17/180269917.db2.gz LDJLXWFEYFGQJL-ZDUSSCGKSA-N 2 1 231.299 1.384 10 0 BDAEMP Cc1[nH+]ccn1[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348735 180270897 /nfs/dbraw/zinc/27/08/97/180270897.db2.gz CXZBRRLHPOKYMP-SKDRFNHKSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]cn([C@H](C[NH3+])c2ccccn2)c1C ZINC000051925770 180289322 /nfs/dbraw/zinc/28/93/22/180289322.db2.gz COLZIQYUDMVBLE-GFCCVEGCSA-N 2 1 216.288 1.443 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000060054469 350496794 /nfs/dbraw/zinc/49/67/94/350496794.db2.gz JRVGWMKCMSSEMV-SNVBAGLBSA-N 2 1 201.273 1.583 10 0 BDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC1C[NH2+]C1 ZINC000306847514 351158713 /nfs/dbraw/zinc/15/87/13/351158713.db2.gz LJLOHVSHWWCAHH-GFCCVEGCSA-N 2 1 233.359 1.068 10 0 BDAEMP CC(C)(C)[N@H+]1CCCOC[C@@H]1CC[NH3+] ZINC000616646646 351172452 /nfs/dbraw/zinc/17/24/52/351172452.db2.gz SDXMLTNYMHHKSA-JTQLQIEISA-N 2 1 200.326 1.225 10 0 BDAEMP [NH3+]CCN1CC[C@@H](c2[nH]cc[nH+]2)c2ccccc21 ZINC000616676003 351240905 /nfs/dbraw/zinc/24/09/05/351240905.db2.gz VRUFIRKRPVXHMK-GFCCVEGCSA-N 2 1 242.326 1.710 10 0 BDAEMP C[C@@H]1C[NH2+][C@@]2(CC[N@@H+](C)C[C@@H]2C)S1 ZINC000306949937 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CC1(C)CC([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000309472182 491149290 /nfs/dbraw/zinc/14/92/90/491149290.db2.gz RDXHQRZHZHHIIL-JTQLQIEISA-N 2 1 219.332 1.976 10 0 BDAEMP O[C@@]1([C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306599392 360520603 /nfs/dbraw/zinc/52/06/03/360520603.db2.gz YMVQPRCIHLYPPQ-GJZGRUSLSA-N 2 1 246.354 1.375 10 0 BDAEMP C[C@H]1CC[N@@H+](CCC2C[NH2+]C2)CCS1 ZINC000306600665 360527732 /nfs/dbraw/zinc/52/77/32/360527732.db2.gz UBAVOXWMBPUBCL-JTQLQIEISA-N 2 1 214.378 1.423 10 0 BDAEMP CC[C@]1(C)C[C@@](C[NH3+])([NH+](C)C)CCO1 ZINC000069892049 360950354 /nfs/dbraw/zinc/95/03/54/360950354.db2.gz XUDITFYYXMTPIK-MNOVXSKESA-N 2 1 200.326 1.225 10 0 BDAEMP CC(C)[C@H]1C[C@](C[NH3+])([NH+](C)C)CCO1 ZINC000069892058 360950599 /nfs/dbraw/zinc/95/05/99/360950599.db2.gz HIYTUJOLAURXMP-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP CCc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630552338 364246311 /nfs/dbraw/zinc/24/63/11/364246311.db2.gz CYAIBYQSEDVVPQ-ONGXEEELSA-N 2 1 234.347 1.378 10 0 BDAEMP [NH3+]CCCCC[NH+]1CCN(C2CCCC2)CC1 ZINC000037049322 181375510 /nfs/dbraw/zinc/37/55/10/181375510.db2.gz NROFQNOTXMNBDG-UHFFFAOYSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CC[C@@H](Nc1[nH]c2ccccc2[nH+]1)C(F)F ZINC000383241335 367608316 /nfs/dbraw/zinc/60/83/16/367608316.db2.gz BRBGBSYPMWSZCG-SECBINFHSA-N 2 1 240.257 1.957 10 0 BDAEMP C[C@H]1SCC[N@H+](CC(C)(C)[NH3+])[C@H]1C ZINC000252978330 368176531 /nfs/dbraw/zinc/17/65/31/368176531.db2.gz BIALTCZHXRCAKJ-DTWKUNHWSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H]1SCC[N@@H+](CC(C)(C)[NH3+])[C@H]1C ZINC000252978330 368176535 /nfs/dbraw/zinc/17/65/35/368176535.db2.gz BIALTCZHXRCAKJ-DTWKUNHWSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2[NH3+])CCS1 ZINC000252979837 368177417 /nfs/dbraw/zinc/17/74/17/368177417.db2.gz JRXRBAVALWAJLX-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2[NH3+])CCS1 ZINC000252979837 368177422 /nfs/dbraw/zinc/17/74/22/368177422.db2.gz JRXRBAVALWAJLX-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP COCC[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037895171 371321422 /nfs/dbraw/zinc/32/14/22/371321422.db2.gz SREYNFLNACAIKD-UHFFFAOYSA-N 2 1 208.305 1.224 10 0 BDAEMP [NH3+]CC[C@H]1CCC[N@H+](C2CSC2)C1 ZINC000215779154 371628855 /nfs/dbraw/zinc/62/88/55/371628855.db2.gz IRGNDBSGHIZNKE-SECBINFHSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(N)=[NH2+] ZINC000306876908 372074435 /nfs/dbraw/zinc/07/44/35/372074435.db2.gz CBMGVEHJPYJJIR-YPMHNXCESA-N 2 1 246.358 1.380 10 0 BDAEMP C[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836567 372624881 /nfs/dbraw/zinc/62/48/81/372624881.db2.gz BRDXYKONKARCCD-HIFRSBDPSA-N 2 1 248.370 1.730 10 0 BDAEMP CC(C)OCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839086 372633436 /nfs/dbraw/zinc/63/34/36/372633436.db2.gz AAPGWXSXSNHPNN-NWDGAFQWSA-N 2 1 214.353 1.328 10 0 BDAEMP COCc1cccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838890 372634373 /nfs/dbraw/zinc/63/43/73/372634373.db2.gz WNLLCTYAIKEGJR-DOMZBBRYSA-N 2 1 248.370 1.860 10 0 BDAEMP CC(C)OCCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839085 372634706 /nfs/dbraw/zinc/63/47/06/372634706.db2.gz AAPGWXSXSNHPNN-NEPJUHHUSA-N 2 1 214.353 1.328 10 0 BDAEMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCSC2)C1 ZINC000069723835 373657886 /nfs/dbraw/zinc/65/78/86/373657886.db2.gz PYMSZAOTZIIHEV-WDEREUQCSA-N 2 1 214.378 1.553 10 0 BDAEMP OC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCCC2)C1 ZINC000049474442 183122958 /nfs/dbraw/zinc/12/29/58/183122958.db2.gz YMZKBSQATOBTIP-CQSZACIVSA-N 2 1 240.391 1.567 10 0 BDAEMP CCC[N@@H+](CC(=O)NC)Cc1ccc(C[NH3+])cc1 ZINC000042404180 169094107 /nfs/dbraw/zinc/09/41/07/169094107.db2.gz SETPLQMTDMQKLR-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCC[N@@H+](CC)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000037094543 169120768 /nfs/dbraw/zinc/12/07/68/169120768.db2.gz VDHOTZVMNYIOSG-UHFFFAOYSA-N 2 1 249.358 1.816 10 0 BDAEMP O[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904450 183232852 /nfs/dbraw/zinc/23/28/52/183232852.db2.gz UPKNQDIAOVAOOI-YUTCNCBUSA-N 2 1 238.375 1.364 10 0 BDAEMP CCC[NH2+]CCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654683 169256597 /nfs/dbraw/zinc/25/65/97/169256597.db2.gz UAZDMEBDFCIBLE-CQSZACIVSA-N 2 1 241.423 1.792 10 0 BDAEMP CCC[NH2+][C@@H](C)CCN1CC[N@@H+](CC)[C@H](C)C1 ZINC000104137073 169275253 /nfs/dbraw/zinc/27/52/53/169275253.db2.gz BEURULBGRCWKDW-UONOGXRCSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](CCO)C1CC1 ZINC000053880278 169282422 /nfs/dbraw/zinc/28/24/22/169282422.db2.gz YBEWRGSALSFKDZ-GXTWGEPZSA-N 2 1 240.391 1.611 10 0 BDAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](C)CCO ZINC000053869788 169282632 /nfs/dbraw/zinc/28/26/32/169282632.db2.gz SXHVGSBSQLQDLN-MGPQQGTHSA-N 2 1 242.407 1.715 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000068592948 384001197 /nfs/dbraw/zinc/00/11/97/384001197.db2.gz WLYLYILTBJZATP-DGCLKSJQSA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000068592948 384001203 /nfs/dbraw/zinc/00/12/03/384001203.db2.gz WLYLYILTBJZATP-DGCLKSJQSA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CCO[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000309473466 384091899 /nfs/dbraw/zinc/09/18/99/384091899.db2.gz XQVXUJWSSGKVSI-FDYHWXHSSA-N 2 1 226.364 1.471 10 0 BDAEMP [NH3+][C@@H](CCO)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000100278769 384630288 /nfs/dbraw/zinc/63/02/88/384630288.db2.gz PYWOWVDBIHYQJK-CABCVRRESA-N 2 1 248.370 1.608 10 0 BDAEMP CCOC[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000375840497 384823895 /nfs/dbraw/zinc/82/38/95/384823895.db2.gz LOSFSMVIQHWXOQ-WDEREUQCSA-N 2 1 223.320 1.213 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccns3)C[C@@H]12 ZINC000404506806 385023537 /nfs/dbraw/zinc/02/35/37/385023537.db2.gz MUHKJPXLTMLZNC-FBIMIBRVSA-N 2 1 223.345 1.312 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccns3)C[C@@H]12 ZINC000404506806 385023541 /nfs/dbraw/zinc/02/35/41/385023541.db2.gz MUHKJPXLTMLZNC-FBIMIBRVSA-N 2 1 223.345 1.312 10 0 BDAEMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309669781 385783565 /nfs/dbraw/zinc/78/35/65/385783565.db2.gz VOFMATZCYDGFQG-GMTAPVOTSA-N 2 1 223.320 1.211 10 0 BDAEMP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000575549403 385973774 /nfs/dbraw/zinc/97/37/74/385973774.db2.gz JAWSPAWWGDYSII-AEJSXWLSSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]([NH3+])C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000575549403 385973776 /nfs/dbraw/zinc/97/37/76/385973776.db2.gz JAWSPAWWGDYSII-AEJSXWLSSA-N 2 1 200.351 1.304 10 0 BDAEMP c1ccc(COC2CC([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000520565643 386694849 /nfs/dbraw/zinc/69/48/49/386694849.db2.gz RTUBYLGJNVKKJC-NFOMZHRRSA-N 2 1 246.354 1.686 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCOCC1 ZINC000396571939 386781319 /nfs/dbraw/zinc/78/13/19/386781319.db2.gz AWSFAMYQHODNIJ-LOWVWBTDSA-N 2 1 226.364 1.532 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCS2)[C@@H]1C ZINC000575585801 387146510 /nfs/dbraw/zinc/14/65/10/387146510.db2.gz XMJQOFIOHQIRLF-BBBLOLIVSA-N 2 1 200.351 1.032 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000306445654 387166060 /nfs/dbraw/zinc/16/60/60/387166060.db2.gz QZGVGLCNNAOBLE-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000306445654 387166063 /nfs/dbraw/zinc/16/60/63/387166063.db2.gz QZGVGLCNNAOBLE-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CCSC1 ZINC000575588310 387184366 /nfs/dbraw/zinc/18/43/66/387184366.db2.gz AJDDXYGNDHXMGQ-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CCSC1 ZINC000575588310 387184373 /nfs/dbraw/zinc/18/43/73/387184373.db2.gz AJDDXYGNDHXMGQ-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1[C@H]1CSC[C@H]1C ZINC000575590166 387202719 /nfs/dbraw/zinc/20/27/19/387202719.db2.gz GIUXMMKZRFVOAA-KYXWUPHJSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1[C@H]1CSC[C@H]1C ZINC000575590166 387202728 /nfs/dbraw/zinc/20/27/28/387202728.db2.gz GIUXMMKZRFVOAA-KYXWUPHJSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 ZINC000575485774 387245506 /nfs/dbraw/zinc/24/55/06/387245506.db2.gz QVIZDYWEJOLJDQ-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1C[N@@H+](CC2CC([NH3+])C2)CCS1 ZINC000575521148 387453062 /nfs/dbraw/zinc/45/30/62/387453062.db2.gz OOMAUUDILLTUPM-IDKOKCKLSA-N 2 1 200.351 1.161 10 0 BDAEMP [NH3+][C@H]1CO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575508944 387392031 /nfs/dbraw/zinc/39/20/31/387392031.db2.gz RFZLCEGVIAEDEG-KGLIPLIRSA-N 2 1 232.327 1.379 10 0 BDAEMP [NH3+][C@H]1CCC[C@H]1C[N@H+]1CCCSCC1 ZINC000053879806 387521781 /nfs/dbraw/zinc/52/17/81/387521781.db2.gz DRUFWMVZHWGVDP-QWRGUYRKSA-N 2 1 214.378 1.553 10 0 BDAEMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)CS1 ZINC000575535471 387574822 /nfs/dbraw/zinc/57/48/22/387574822.db2.gz VPZCFIIILCTJSJ-KXUCPTDWSA-N 2 1 200.351 1.222 10 0 BDAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](N)C2)CS1 ZINC000575535755 387577107 /nfs/dbraw/zinc/57/71/07/387577107.db2.gz ZRWDBFCCARPHJV-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CS1 ZINC000575535755 387577109 /nfs/dbraw/zinc/57/71/09/387577109.db2.gz ZRWDBFCCARPHJV-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)CS1 ZINC000575535755 387577114 /nfs/dbraw/zinc/57/71/14/387577114.db2.gz ZRWDBFCCARPHJV-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@H]1[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000575545848 387631403 /nfs/dbraw/zinc/63/14/03/387631403.db2.gz QXNYRCCBVLDIKI-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 ZINC000575545848 387631408 /nfs/dbraw/zinc/63/14/08/387631408.db2.gz QXNYRCCBVLDIKI-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000423015970 387838909 /nfs/dbraw/zinc/83/89/09/387838909.db2.gz ARVQCSBVLOQORK-TUAOUCFPSA-N 2 1 226.364 1.532 10 0 BDAEMP C1CCC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCO[C@H]12 ZINC000423033609 387849386 /nfs/dbraw/zinc/84/93/86/387849386.db2.gz XEDDERFOHLEGNT-YVECIDJPSA-N 2 1 236.359 1.286 10 0 BDAEMP CC1(C)CC([N@@H+]2CC[C@@H](C[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000071575479 388100275 /nfs/dbraw/zinc/10/02/75/388100275.db2.gz VHISTVIFBWNPJH-NSHDSACASA-N 3 1 239.407 1.576 10 0 BDAEMP CC1(C)CC([N@H+]2CC[C@@H](C[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000071575479 388100279 /nfs/dbraw/zinc/10/02/79/388100279.db2.gz VHISTVIFBWNPJH-NSHDSACASA-N 3 1 239.407 1.576 10 0 BDAEMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@H]2CCC[NH2+]CC2)O1 ZINC000300232652 388356579 /nfs/dbraw/zinc/35/65/79/388356579.db2.gz HOHHSTDJVKTSCG-FRRDWIJNSA-N 2 1 226.364 1.628 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247074355 388659217 /nfs/dbraw/zinc/65/92/17/388659217.db2.gz OLWBVTNXHCLUPO-IHRRRGAJSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000247074355 388659219 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C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000400353394 533460374 /nfs/dbraw/zinc/46/03/74/533460374.db2.gz AGGBTMAKVHBFHQ-GHMZBOCLSA-N 2 1 222.307 1.913 10 0 BDAEMP C[C@H]1NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000002034278 132308625 /nfs/dbraw/zinc/30/86/25/132308625.db2.gz WHWDLTBBQLJYCJ-LURJTMIESA-N 2 1 237.694 1.135 10 0 BDAEMP Cc1cc[nH+]c(N2CCC(C[NH3+])CC2)c1 ZINC000044514904 132354283 /nfs/dbraw/zinc/35/42/83/132354283.db2.gz HVEFEZJOKHADQY-UHFFFAOYSA-N 2 1 205.305 1.565 10 0 BDAEMP CC[NH+](CC)CCN1CCC[N@H+](C2CC2)CC1 ZINC000179290966 134318800 /nfs/dbraw/zinc/31/88/00/134318800.db2.gz QXBIWGGDRVYYDW-UHFFFAOYSA-N 2 1 239.407 1.498 10 0 BDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+](C)C ZINC000252674480 135095875 /nfs/dbraw/zinc/09/58/75/135095875.db2.gz RIUQTRYQNPDJTP-STQMWFEESA-N 2 1 225.380 1.107 10 0 BDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+](C)C ZINC000252674479 135096016 /nfs/dbraw/zinc/09/60/16/135096016.db2.gz RIUQTRYQNPDJTP-OLZOCXBDSA-N 2 1 225.380 1.107 10 0 BDAEMP CCc1cc(N[C@H](C)CCC[NH3+])nc(C)[nH+]1 ZINC000087362260 135126622 /nfs/dbraw/zinc/12/66/22/135126622.db2.gz NMQWIWASENCGMQ-SECBINFHSA-N 2 1 222.336 1.887 10 0 BDAEMP C[C@@H](CCC[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000087362189 135126914 /nfs/dbraw/zinc/12/69/14/135126914.db2.gz MZKQCLYHNBPCML-VIFPVBQESA-N 2 1 223.324 1.082 10 0 BDAEMP Cc1ccncc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261545600 135149311 /nfs/dbraw/zinc/14/93/11/135149311.db2.gz GBQIHWWLNBWZFX-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1ccncc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261545600 135149312 /nfs/dbraw/zinc/14/93/12/135149312.db2.gz GBQIHWWLNBWZFX-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000261582058 135222595 /nfs/dbraw/zinc/22/25/95/135222595.db2.gz OALVQOBKJWZXIC-LBPRGKRZSA-N 2 1 226.364 1.472 10 0 BDAEMP CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000165112918 135471783 /nfs/dbraw/zinc/47/17/83/135471783.db2.gz SWGFGVCEMURISS-UTUOFQBUSA-N 2 1 214.353 1.077 10 0 BDAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+]1CC[C@H](N(C)C)C1 ZINC000062971804 167103059 /nfs/dbraw/zinc/10/30/59/167103059.db2.gz WYATXTGCXRCMHG-KBPBESRZSA-N 2 1 241.423 1.789 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000053031288 167112524 /nfs/dbraw/zinc/11/25/24/167112524.db2.gz VVNKFLMUDSXMJP-LBPRGKRZSA-N 2 1 226.364 1.485 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000053031036 167113235 /nfs/dbraw/zinc/11/32/35/167113235.db2.gz ZQXRVKXVOOJHFB-ZDUSSCGKSA-N 2 1 239.407 1.401 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000053031036 167113239 /nfs/dbraw/zinc/11/32/39/167113239.db2.gz ZQXRVKXVOOJHFB-ZDUSSCGKSA-N 2 1 239.407 1.401 10 0 BDAEMP CC[C@H]1CN(c2cc(C)cc[nH+]2)CC[C@@H]1[NH3+] ZINC000122948734 410296096 /nfs/dbraw/zinc/29/60/96/410296096.db2.gz XVWWOVJPHFZZJC-RYUDHWBXSA-N 2 1 219.332 1.954 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CCCCN1c1[nH+]ccn1C ZINC000053699466 167111033 /nfs/dbraw/zinc/11/10/33/167111033.db2.gz NRMGTTQDNTVAFT-LBPRGKRZSA-N 2 1 236.363 1.777 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000104196081 167114630 /nfs/dbraw/zinc/11/46/30/167114630.db2.gz MUDWIRCEWUWXPW-CQSZACIVSA-N 2 1 240.391 1.733 10 0 BDAEMP CC[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCC1 ZINC000398959820 411000586 /nfs/dbraw/zinc/00/05/86/411000586.db2.gz LLWLLDVWEUMTOB-AWEZNQCLSA-N 2 1 240.391 1.611 10 0 BDAEMP OCC[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000657944069 411177117 /nfs/dbraw/zinc/17/71/17/411177117.db2.gz YDCQFGRQCGRQJM-ZDUSSCGKSA-N 2 1 238.375 1.365 10 0 BDAEMP [NH3+]Cc1ccc(C[N@@H+]2CC=CCC2)s1 ZINC000231971269 411434836 /nfs/dbraw/zinc/43/48/36/411434836.db2.gz ZDTQPZAMPOBBKP-UHFFFAOYSA-N 2 1 208.330 1.969 10 0 BDAEMP CCc1cc(NC[C@@H]2C[N@H+](CC)CCO2)cc[nH+]1 ZINC000307765931 411486107 /nfs/dbraw/zinc/48/61/07/411486107.db2.gz BKCKYVYJRVHMTO-CQSZACIVSA-N 2 1 249.358 1.777 10 0 BDAEMP CCc1cc(NC[C@@H]2C[N@@H+](CC)CCO2)cc[nH+]1 ZINC000307765931 411486110 /nfs/dbraw/zinc/48/61/10/411486110.db2.gz BKCKYVYJRVHMTO-CQSZACIVSA-N 2 1 249.358 1.777 10 0 BDAEMP CC[N@H+]1CC[C@@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000037484498 170008755 /nfs/dbraw/zinc/00/87/55/170008755.db2.gz FSEMAHVYUVOELU-JTQLQIEISA-N 2 1 241.404 1.799 10 0 BDAEMP CC[N@H+]1CC[C@H](CN2CCC[NH2+][C@H](C)CC2)C1 ZINC000049666718 170013764 /nfs/dbraw/zinc/01/37/64/170013764.db2.gz CDJJEPLHDSCXJI-KGLIPLIRSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[N@H+]1CC[C@H](CN2CC[C@H]([NH2+]C)C[C@@H]2C)C1 ZINC000049712903 170015267 /nfs/dbraw/zinc/01/52/67/170015267.db2.gz HLPZNYZMRVURHQ-IHRRRGAJSA-N 2 1 239.407 1.401 10 0 BDAEMP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](C)CC2)C1 ZINC000309986103 170031496 /nfs/dbraw/zinc/03/14/96/170031496.db2.gz YHPQBIKCNDFTJL-DGCLKSJQSA-N 2 1 225.380 1.010 10 0 BDAEMP CC[NH2+]C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000037469352 170108475 /nfs/dbraw/zinc/10/84/75/170108475.db2.gz GBSYTYNKPGCDCU-ZDUSSCGKSA-N 2 1 226.364 1.629 10 0 BDAEMP CC[NH2+]C1CCN(c2[nH+]ccn2CC)CC1 ZINC000050607560 170109310 /nfs/dbraw/zinc/10/93/10/170109310.db2.gz QBOLONSETZAYGY-UHFFFAOYSA-N 2 1 222.336 1.481 10 0 BDAEMP CC[NH2+]C[C@@]1(C[N@@H+](CC)CC(C)C)CCOC1 ZINC000051214905 170121209 /nfs/dbraw/zinc/12/12/09/170121209.db2.gz JUWUSUGYFLIKJA-CQSZACIVSA-N 2 1 242.407 1.981 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](CC)CCOC)O1 ZINC000052542777 170121291 /nfs/dbraw/zinc/12/12/91/170121291.db2.gz RVTOYABDGNKDME-QWHCGFSZSA-N 2 1 244.379 1.112 10 0 BDAEMP CC[NH2+]Cc1cccnc1-n1cc[nH+]c1C ZINC000051490901 170129395 /nfs/dbraw/zinc/12/93/95/170129395.db2.gz XADQRCGVNOZRMV-UHFFFAOYSA-N 2 1 216.288 1.685 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](CCc2cccnc2)C[C@@H]1C ZINC000049712935 170152202 /nfs/dbraw/zinc/15/22/02/170152202.db2.gz OUORSNMPJNNZIG-DZGCQCFKSA-N 2 1 247.386 1.944 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](CCc2cccnc2)C[C@@H]1C ZINC000049712935 170152204 /nfs/dbraw/zinc/15/22/04/170152204.db2.gz OUORSNMPJNNZIG-DZGCQCFKSA-N 2 1 247.386 1.944 10 0 BDAEMP CC[NH2+][C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000049713209 170152503 /nfs/dbraw/zinc/15/25/03/170152503.db2.gz DUHQFKYHYWRUCF-BFHYXJOUSA-N 2 1 239.407 1.401 10 0 BDAEMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000314935675 411897622 /nfs/dbraw/zinc/89/76/22/411897622.db2.gz RKBBIYMPIZVENI-AAEUAGOBSA-N 2 1 237.347 1.510 10 0 BDAEMP Cc1nocc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000662266743 412058965 /nfs/dbraw/zinc/05/89/65/412058965.db2.gz OQLRDEZMGLONKK-MVWJERBFSA-N 2 1 221.304 1.152 10 0 BDAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)COC)CC[NH2+]1 ZINC000049661089 171014314 /nfs/dbraw/zinc/01/43/14/171014314.db2.gz QUGIXWNIQYVFBJ-WDEREUQCSA-N 2 1 200.326 1.095 10 0 BDAEMP CC[C@@H]1CC[N@H+]([C@@H](C)COC)CC[NH2+]1 ZINC000049661089 171014316 /nfs/dbraw/zinc/01/43/16/171014316.db2.gz QUGIXWNIQYVFBJ-WDEREUQCSA-N 2 1 200.326 1.095 10 0 BDAEMP CC[C@@H]1CN(CC[NH2+]C(C)(C)CC)CC[N@H+]1C ZINC000104137404 171081998 /nfs/dbraw/zinc/08/19/98/171081998.db2.gz CXSNGQKMNUOEGG-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC000665236876 412176358 /nfs/dbraw/zinc/17/63/58/412176358.db2.gz VUKMHJYWXBWLFS-LBPRGKRZSA-N 2 1 225.380 1.201 10 0 BDAEMP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623408 412246009 /nfs/dbraw/zinc/24/60/09/412246009.db2.gz XRVDLKJHCYOAEI-WDEREUQCSA-N 2 1 241.379 1.103 10 0 BDAEMP CCc1cc(N[C@H](C)C[NH2+]C)nc(C)[nH+]1 ZINC000663278415 412407384 /nfs/dbraw/zinc/40/73/84/412407384.db2.gz IBPTXCQWZNTODR-MRVPVSSYSA-N 2 1 208.309 1.367 10 0 BDAEMP CCc1[nH+]ccn1Cc1cccnc1C[NH3+] ZINC000061657111 172026936 /nfs/dbraw/zinc/02/69/36/172026936.db2.gz OSRZDLVZVRPGAH-UHFFFAOYSA-N 2 1 216.288 1.348 10 0 BDAEMP CCn1cc[nH+]c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000050608537 172228568 /nfs/dbraw/zinc/22/85/68/172228568.db2.gz UTLVWBGXPNDHCW-LLVKDONJSA-N 2 1 234.347 1.799 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CCN1CCC([NH3+])CC1 ZINC000036754159 173003799 /nfs/dbraw/zinc/00/37/99/173003799.db2.gz FXZGEFJPQHRMBF-CYBMUJFWSA-N 2 1 225.380 1.284 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CNCCC[NH+]1CCCC1 ZINC000044562230 173004273 /nfs/dbraw/zinc/00/42/73/173004273.db2.gz IDTRJCPQCILYAJ-CQSZACIVSA-N 2 1 239.407 1.546 10 0 BDAEMP CN1CCCC[C@@H]1C[NH2+]CCC[NH+]1CCCC1 ZINC000044562230 173004275 /nfs/dbraw/zinc/00/42/75/173004275.db2.gz IDTRJCPQCILYAJ-CQSZACIVSA-N 2 1 239.407 1.546 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H]([NH3+])C1 ZINC000041029773 173004640 /nfs/dbraw/zinc/00/46/40/173004640.db2.gz NOKMVHNWEOKARJ-QWHCGFSZSA-N 2 1 225.380 1.284 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1(CO)CCCC1 ZINC000053069220 173006414 /nfs/dbraw/zinc/00/64/14/173006414.db2.gz PCTFNPZMKXUKQN-ZDUSSCGKSA-N 2 1 240.391 1.756 10 0 BDAEMP Cn1cc[nH+]c1NC[C@@H]1CCCC[N@H+]1C ZINC000050606570 173010142 /nfs/dbraw/zinc/01/01/42/173010142.db2.gz FQKDKLYWGFQDIF-JTQLQIEISA-N 2 1 208.309 1.316 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CNCCC[NH+]1CCCC1 ZINC000044562231 173010549 /nfs/dbraw/zinc/01/05/49/173010549.db2.gz IDTRJCPQCILYAJ-AWEZNQCLSA-N 2 1 239.407 1.546 10 0 BDAEMP CN1CCCC[C@H]1C[NH2+]CCC[NH+]1CCCC1 ZINC000044562231 173010551 /nfs/dbraw/zinc/01/05/51/173010551.db2.gz IDTRJCPQCILYAJ-AWEZNQCLSA-N 2 1 239.407 1.546 10 0 BDAEMP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1cccnc1 ZINC000082382482 173041111 /nfs/dbraw/zinc/04/11/11/173041111.db2.gz NQQYYACKBQLARV-PWSUYJOCSA-N 2 1 205.305 1.423 10 0 BDAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1cccnc1 ZINC000082382482 173041112 /nfs/dbraw/zinc/04/11/12/173041112.db2.gz NQQYYACKBQLARV-PWSUYJOCSA-N 2 1 205.305 1.423 10 0 BDAEMP C[N@H+]1CCC[C@](C[NH3+])(c2cccs2)C1 ZINC000077304289 173061912 /nfs/dbraw/zinc/06/19/12/173061912.db2.gz SDKKOHVJZKPYEW-LLVKDONJSA-N 2 1 210.346 1.670 10 0 BDAEMP C[NH+]1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000034449467 173080658 /nfs/dbraw/zinc/08/06/58/173080658.db2.gz BVCMUQFVEZNORB-UHFFFAOYSA-N 2 1 225.380 1.014 10 0 BDAEMP CN(Cc1cccn1C)C[C@@H]1CC[N@@H+](C)C1 ZINC000162272315 173111384 /nfs/dbraw/zinc/11/13/84/173111384.db2.gz NWRUFFSISYQZRQ-GFCCVEGCSA-N 2 1 221.348 1.409 10 0 BDAEMP Cn1cccc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000162272315 173111386 /nfs/dbraw/zinc/11/13/86/173111386.db2.gz NWRUFFSISYQZRQ-GFCCVEGCSA-N 2 1 221.348 1.409 10 0 BDAEMP Cn1cccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000162272315 173111388 /nfs/dbraw/zinc/11/13/88/173111388.db2.gz NWRUFFSISYQZRQ-GFCCVEGCSA-N 2 1 221.348 1.409 10 0 BDAEMP Cn1cccc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000162272315 173111391 /nfs/dbraw/zinc/11/13/91/173111391.db2.gz NWRUFFSISYQZRQ-GFCCVEGCSA-N 2 1 221.348 1.409 10 0 BDAEMP Cn1cccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000162272315 173111393 /nfs/dbraw/zinc/11/13/93/173111393.db2.gz NWRUFFSISYQZRQ-GFCCVEGCSA-N 2 1 221.348 1.409 10 0 BDAEMP C[N@H+]1CC[C@@H](CNc2cc(N)cc[nH+]2)C1 ZINC000043569011 173118147 /nfs/dbraw/zinc/11/81/47/173118147.db2.gz QZTZCEHRRPPECC-VIFPVBQESA-N 2 1 206.293 1.027 10 0 BDAEMP C[N@@H+]1CCc2sc(C[NH2+]C3CC3)cc2C1 ZINC000045206003 173177046 /nfs/dbraw/zinc/17/70/46/173177046.db2.gz FKJLEPHZKRVDID-UHFFFAOYSA-N 2 1 222.357 1.988 10 0 BDAEMP C[N@H+]1CCc2sc(C[NH2+]C3CC3)cc2C1 ZINC000045206003 173177049 /nfs/dbraw/zinc/17/70/49/173177049.db2.gz FKJLEPHZKRVDID-UHFFFAOYSA-N 2 1 222.357 1.988 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]CC1CC1)C2 ZINC000038019240 173206437 /nfs/dbraw/zinc/20/64/37/173206437.db2.gz LBZWLNZIZMYIBM-YHWZYXNKSA-N 2 1 208.349 1.859 10 0 BDAEMP CN(CC1CC1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037925285 173206792 /nfs/dbraw/zinc/20/67/92/173206792.db2.gz JBEDNUAOUKOKGE-PBWFPOADSA-N 2 1 237.391 1.282 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1ncc[nH]1)C2 ZINC000049715608 173207048 /nfs/dbraw/zinc/20/70/48/173207048.db2.gz SIEFFGWZSXJTPN-YOGCLGLASA-N 2 1 234.347 1.372 10 0 BDAEMP C[NH2+]C(C)(C)C[N@@H+]1CCCSCC1 ZINC000061319671 173319664 /nfs/dbraw/zinc/31/96/64/173319664.db2.gz BXTZSPGWXHLZME-UHFFFAOYSA-N 2 1 202.367 1.423 10 0 BDAEMP C[NH2+]C(C)(C)C[N@H+]1CCCSCC1 ZINC000061319671 173319665 /nfs/dbraw/zinc/31/96/65/173319665.db2.gz BXTZSPGWXHLZME-UHFFFAOYSA-N 2 1 202.367 1.423 10 0 BDAEMP C[NH2+]C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000052096757 173322898 /nfs/dbraw/zinc/32/28/98/173322898.db2.gz CNSDFBRWRFZVCX-OAHLLOKOSA-N 2 1 248.370 1.578 10 0 BDAEMP C[NH2+]C[C@@H](C)C[N@H+]1CCCSCC1 ZINC000052371004 173364168 /nfs/dbraw/zinc/36/41/68/173364168.db2.gz QMLMXCJLCPMRNJ-SNVBAGLBSA-N 2 1 202.367 1.281 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000095075956 173381254 /nfs/dbraw/zinc/38/12/54/173381254.db2.gz XXYORQBLIVDNEL-KGLIPLIRSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011892011 173381434 /nfs/dbraw/zinc/38/14/34/173381434.db2.gz DHXOXOLPUZFYBY-CQSZACIVSA-N 2 1 248.370 1.779 10 0 BDAEMP C[NH2+]C[C@]1(C[N@@H+](C)C2CCCCC2)CCOC1 ZINC000051213207 173384079 /nfs/dbraw/zinc/38/40/79/173384079.db2.gz UNUSWYBGSQDWEW-AWEZNQCLSA-N 2 1 240.391 1.877 10 0 BDAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@@H]2C)on1 ZINC000052375815 173386752 /nfs/dbraw/zinc/38/67/52/173386752.db2.gz XCFQOKHOMVZRJN-VIFPVBQESA-N 2 1 209.293 1.378 10 0 BDAEMP C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000062971664 173390489 /nfs/dbraw/zinc/39/04/89/173390489.db2.gz ZDOSSGGFDRRYIB-OAHLLOKOSA-N 2 1 247.386 1.542 10 0 BDAEMP C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C)C1 ZINC000062971664 173390490 /nfs/dbraw/zinc/39/04/90/173390490.db2.gz ZDOSSGGFDRRYIB-OAHLLOKOSA-N 2 1 247.386 1.542 10 0 BDAEMP C[NH2+]Cc1cnc(-n2cc[nH+]c2C)c(Cl)c1 ZINC000051491138 173392439 /nfs/dbraw/zinc/39/24/39/173392439.db2.gz UDVRTSOSPPZVMF-UHFFFAOYSA-N 2 1 236.706 1.949 10 0 BDAEMP C[NH2+]Cc1occc1C[N@H+]1CCCOCC1 ZINC000061935788 173399909 /nfs/dbraw/zinc/39/99/09/173399909.db2.gz JJOZQDYHTDDXHL-UHFFFAOYSA-N 2 1 224.304 1.221 10 0 BDAEMP COC1CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC000054135025 174030755 /nfs/dbraw/zinc/03/07/55/174030755.db2.gz PNGYBMOCBBCHEQ-NSHDSACASA-N 2 1 212.337 1.239 10 0 BDAEMP COCCC[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665814 174235527 /nfs/dbraw/zinc/23/55/27/174235527.db2.gz PZSVFGWNMVFQHL-TXEJJXNPSA-N 2 1 214.353 1.200 10 0 BDAEMP COCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036908254 174251404 /nfs/dbraw/zinc/25/14/04/174251404.db2.gz RUCONMVFPSLODG-WOPDTQHZSA-N 2 1 214.353 1.341 10 0 BDAEMP COc1ccc([C@@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000020274084 175178878 /nfs/dbraw/zinc/17/88/78/175178878.db2.gz LHMQBVLUICCJTL-NSHDSACASA-N 2 1 238.331 1.655 10 0 BDAEMP COc1cccc(CC[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000071563481 175251533 /nfs/dbraw/zinc/25/15/33/175251533.db2.gz REQYPKWLBHWGKL-ZDUSSCGKSA-N 2 1 248.370 1.779 10 0 BDAEMP COc1cccc(CC[N@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000071563481 175251535 /nfs/dbraw/zinc/25/15/35/175251535.db2.gz REQYPKWLBHWGKL-ZDUSSCGKSA-N 2 1 248.370 1.779 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1CCCNCC[NH+](C)C ZINC000020047844 176072160 /nfs/dbraw/zinc/07/21/60/176072160.db2.gz WFZLNRHTTHZHNK-CYBMUJFWSA-N 2 1 227.396 1.402 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000040716984 176173567 /nfs/dbraw/zinc/17/35/67/176173567.db2.gz MPOGSZSAPLFJRA-LLVKDONJSA-N 2 1 204.317 1.987 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@]2(C[NH3+])CCCSC2)C1 ZINC000061590107 176180578 /nfs/dbraw/zinc/18/05/78/176180578.db2.gz INDASXXLYRBKRF-MNOVXSKESA-N 2 1 214.378 1.553 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@]2(C[NH3+])CCCSC2)C1 ZINC000061590107 176180580 /nfs/dbraw/zinc/18/05/80/176180580.db2.gz INDASXXLYRBKRF-MNOVXSKESA-N 2 1 214.378 1.553 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+]2CCCN(C)CC2)C1 ZINC000037158687 176223717 /nfs/dbraw/zinc/22/37/17/176223717.db2.gz AAJVSSPNCRHFNT-MGPQQGTHSA-N 2 1 239.407 1.387 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H](N2CCC[N@H+](C)CC2)C1 ZINC000037158687 176223718 /nfs/dbraw/zinc/22/37/18/176223718.db2.gz AAJVSSPNCRHFNT-MGPQQGTHSA-N 2 1 239.407 1.387 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H](N2CCC[N@@H+](C)CC2)C1 ZINC000037158687 176223719 /nfs/dbraw/zinc/22/37/19/176223719.db2.gz AAJVSSPNCRHFNT-MGPQQGTHSA-N 2 1 239.407 1.387 10 0 BDAEMP C[C@@H]1C[N@H+](CC2(C[NH3+])CCCC2)CCO1 ZINC000051210545 176284394 /nfs/dbraw/zinc/28/43/94/176284394.db2.gz SRSILYXHDPFISX-LLVKDONJSA-N 2 1 212.337 1.226 10 0 BDAEMP 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C[C@@H]1CSC(NCC[NH+]2CCCC2)=[NH+]1 ZINC000054130330 176348900 /nfs/dbraw/zinc/34/89/00/176348900.db2.gz RREVUBIQLMVCPE-SECBINFHSA-N 2 1 213.350 1.163 10 0 BDAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCOC1 ZINC000019913143 177075857 /nfs/dbraw/zinc/07/58/57/177075857.db2.gz UUUYAXISSLOIIL-KBPBESRZSA-N 2 1 240.391 1.877 10 0 BDAEMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])o2)C1 ZINC000052381299 177102663 /nfs/dbraw/zinc/10/26/63/177102663.db2.gz FCDYJTPOSZFOEK-JTQLQIEISA-N 2 1 208.305 1.970 10 0 BDAEMP C[C@H]1CCC[N@@H+]1[C@@H](CN)c1ccncc1 ZINC000043353878 177112234 /nfs/dbraw/zinc/11/22/34/177112234.db2.gz NYRAXXZGKGPGBG-JQWIXIFHSA-N 2 1 205.305 1.566 10 0 BDAEMP C[C@H]1CCC[N@H+]1[C@@H](CN)c1ccncc1 ZINC000043353878 177112236 /nfs/dbraw/zinc/11/22/36/177112236.db2.gz NYRAXXZGKGPGBG-JQWIXIFHSA-N 2 1 205.305 1.566 10 0 BDAEMP C[C@H]1CC[N@@H+](C2CCN(C)CC2)CCC[NH2+]1 ZINC000044390319 177156869 /nfs/dbraw/zinc/15/68/69/177156869.db2.gz JPPBMQGJUGYWCQ-LBPRGKRZSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@H]1CC[N@H+](C2CCN(C)CC2)CCC[NH2+]1 ZINC000044390319 177156871 /nfs/dbraw/zinc/15/68/71/177156871.db2.gz JPPBMQGJUGYWCQ-LBPRGKRZSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@H]1CC[N@@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052182204 177158568 /nfs/dbraw/zinc/15/85/68/177158568.db2.gz KWEQRUPJTURKBS-NSHDSACASA-N 2 1 212.337 1.084 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CCCC[NH+](C)C)C1 ZINC000041680485 177160727 /nfs/dbraw/zinc/16/07/27/177160727.db2.gz QGIIKYFNOUJIKJ-KGLIPLIRSA-N 3 1 241.423 1.648 10 0 BDAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(C[NH3+])no1 ZINC000052510125 177163645 /nfs/dbraw/zinc/16/36/45/177163645.db2.gz YVQVFQYGZYDYIH-VHSXEESVSA-N 2 1 223.320 1.754 10 0 BDAEMP C[C@@H](CC[NH+](C)C)[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049667809 177170025 /nfs/dbraw/zinc/17/00/25/177170025.db2.gz YZAKTBKIAWZNPV-IHRRRGAJSA-N 3 1 241.423 1.789 10 0 BDAEMP C[C@H]1CN(C(=[NH2+])Nc2ccccc2)CC[N@@H+]1C ZINC000104348330 177210770 /nfs/dbraw/zinc/21/07/70/177210770.db2.gz BFHOMXWSMDKYMO-NSHDSACASA-N 2 1 232.331 1.669 10 0 BDAEMP C[C@H]1CN(C(=[NH2+])Nc2ccccc2)CC[N@H+]1C ZINC000104348330 177210772 /nfs/dbraw/zinc/21/07/72/177210772.db2.gz BFHOMXWSMDKYMO-NSHDSACASA-N 2 1 232.331 1.669 10 0 BDAEMP C[C@@H]1C[N@H+](CC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000037482374 177244865 /nfs/dbraw/zinc/24/48/65/177244865.db2.gz KWHMOFFJKRSZIK-MPEURRAXSA-N 2 1 226.364 1.613 10 0 BDAEMP C[C@H]1C[N@@H+](CCC[C@@H]2CCC[NH2+]2)CCO1 ZINC000052764280 177250058 /nfs/dbraw/zinc/25/00/58/177250058.db2.gz QOWPMNWPSFMBBJ-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000235381782 177293063 /nfs/dbraw/zinc/29/30/63/177293063.db2.gz KMWGHAQLRWSNJM-WOPDTQHZSA-N 2 1 212.337 1.095 10 0 BDAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C[NH3+])no2)C1 ZINC000052420745 177313135 /nfs/dbraw/zinc/31/31/35/177313135.db2.gz JCLWAHDPVGXNQH-AOOOYVTPSA-N 2 1 223.320 1.611 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051693984 177330722 /nfs/dbraw/zinc/33/07/22/177330722.db2.gz DZSBLBNHPNQMBA-XPXVYLNCSA-N 3 1 239.407 1.575 10 0 BDAEMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051693984 177330724 /nfs/dbraw/zinc/33/07/24/177330724.db2.gz DZSBLBNHPNQMBA-XPXVYLNCSA-N 2 1 239.407 1.575 10 0 BDAEMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289358 487709038 /nfs/dbraw/zinc/70/90/38/487709038.db2.gz SUSDEALAKFKBDK-XJFOESAGSA-N 2 1 238.375 1.316 10 0 BDAEMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289358 487709044 /nfs/dbraw/zinc/70/90/44/487709044.db2.gz SUSDEALAKFKBDK-XJFOESAGSA-N 2 1 238.375 1.316 10 0 BDAEMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289358 487709046 /nfs/dbraw/zinc/70/90/46/487709046.db2.gz SUSDEALAKFKBDK-XJFOESAGSA-N 2 1 238.375 1.316 10 0 BDAEMP CC[C@H]1C[N@H+](Cc2cnn(C)c2C)CC[C@H]1[NH3+] ZINC000251657042 487781584 /nfs/dbraw/zinc/78/15/84/487781584.db2.gz GVGMREXICPWOLX-WCQYABFASA-N 2 1 236.363 1.288 10 0 BDAEMP CC[C@H]1C[N@@H+](Cc2cnn(C)c2C)CC[C@H]1[NH3+] ZINC000251657042 487781589 /nfs/dbraw/zinc/78/15/89/487781589.db2.gz GVGMREXICPWOLX-WCQYABFASA-N 2 1 236.363 1.288 10 0 BDAEMP C[C@H]([NH3+])CC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666775534 487878674 /nfs/dbraw/zinc/87/86/74/487878674.db2.gz MCMCYRNGMSWKNZ-VIFPVBQESA-N 2 1 239.388 1.849 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)[C@H]1CCCO1 ZINC000396615114 323393818 /nfs/dbraw/zinc/39/38/18/323393818.db2.gz SCECPDZUQGNGNQ-FIQHERPVSA-N 2 1 212.337 1.284 10 0 BDAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@@H]1CC[NH2+]C1 ZINC000094440752 487533860 /nfs/dbraw/zinc/53/38/60/487533860.db2.gz DEMDAZZJOXXXPM-MGPQQGTHSA-N 2 1 237.391 1.155 10 0 BDAEMP CCc1cc(N[C@@H](C)CC[NH3+])nc(C)[nH+]1 ZINC000134270410 487977020 /nfs/dbraw/zinc/97/70/20/487977020.db2.gz KYQCKCDHSHCAKN-QMMMGPOBSA-N 2 1 208.309 1.497 10 0 BDAEMP COCC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757125587 582500606 /nfs/dbraw/zinc/50/06/06/582500606.db2.gz FCECGHDMALYVJJ-RDBSUJKOSA-N 2 1 240.391 1.875 10 0 BDAEMP CC(C)(C)[C@H]1C[NH2+]C2(CC[NH2+]CC2)OC1 ZINC000757142706 582522746 /nfs/dbraw/zinc/52/27/46/582522746.db2.gz DGHJVOBKULYNEM-JTQLQIEISA-N 2 1 212.337 1.348 10 0 BDAEMP CCC[C@H]1CCO[C@@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757147736 582531403 /nfs/dbraw/zinc/53/14/03/582531403.db2.gz SQPNYSHFLRQLME-QWHCGFSZSA-N 2 1 226.364 1.977 10 0 BDAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757148941 582533138 /nfs/dbraw/zinc/53/31/38/582533138.db2.gz VXGAIEHOKOACTK-STQMWFEESA-N 2 1 224.348 1.587 10 0 BDAEMP CC(=O)c1cccc([C@@H]2CC[NH2+]C[C@H]2[NH3+])c1 ZINC000757218013 582562551 /nfs/dbraw/zinc/56/25/51/582562551.db2.gz UQFLDSUPUKGWLX-QWHCGFSZSA-N 2 1 218.300 1.293 10 0 BDAEMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CC[NH2+]C1 ZINC000400696588 533932376 /nfs/dbraw/zinc/93/23/76/533932376.db2.gz JFZUIVZKIRSKSD-WDEREUQCSA-N 2 1 248.326 1.503 10 0 BDAEMP COC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527669 536525587 /nfs/dbraw/zinc/52/55/87/536525587.db2.gz FPYSCQJXVUOPEQ-NXEZZACHSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400362135 528829273 /nfs/dbraw/zinc/82/92/73/528829273.db2.gz CJOXXCGROIAQQB-JHJVBQTASA-N 2 1 227.396 1.303 10 0 BDAEMP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400430827 529092547 /nfs/dbraw/zinc/09/25/47/529092547.db2.gz BPZNZRNUOZRXKZ-UPJWGTAASA-N 2 1 225.380 1.058 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400430827 529092551 /nfs/dbraw/zinc/09/25/51/529092551.db2.gz BPZNZRNUOZRXKZ-UPJWGTAASA-N 2 1 225.380 1.058 10 0 BDAEMP C[NH+](C)CCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252709016 535834007 /nfs/dbraw/zinc/83/40/07/535834007.db2.gz BTVRQRSFKSJMEO-UONOGXRCSA-N 2 1 240.391 1.565 10 0 BDAEMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000167994936 536345255 /nfs/dbraw/zinc/34/52/55/536345255.db2.gz HXKMPLSNZGRFNO-AAEUAGOBSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@]12C[N@H+](C(C)(C)C)CC[C@@H]2O ZINC000725245819 538002920 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CCC[N@@H+]1CC[C@@H]([NH3+])C12CCC(=O)CC2 ZINC000685955236 538900298 /nfs/dbraw/zinc/90/02/98/538900298.db2.gz WKIAFXKMFLOFCF-LLVKDONJSA-N 2 1 210.321 1.311 10 0 BDAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCC(=O)CC2 ZINC000685955236 538900299 /nfs/dbraw/zinc/90/02/99/538900299.db2.gz WKIAFXKMFLOFCF-LLVKDONJSA-N 2 1 210.321 1.311 10 0 BDAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12CCCOCC2 ZINC000685955286 538900332 /nfs/dbraw/zinc/90/03/32/538900332.db2.gz XHRPUWRPVSOMIY-NWDGAFQWSA-N 2 1 212.337 1.369 10 0 BDAEMP CCN1CC[NH+](C2(CC)CC[NH2+]CC2)CC1 ZINC000685960945 538908195 /nfs/dbraw/zinc/90/81/95/538908195.db2.gz HXARNPOIDDMFES-UHFFFAOYSA-N 2 1 225.380 1.156 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000685965371 538911734 /nfs/dbraw/zinc/91/17/34/538911734.db2.gz BSCQCVYLXBUAJA-CPCISQLKSA-N 2 1 230.233 1.508 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000685965717 538912286 /nfs/dbraw/zinc/91/22/86/538912286.db2.gz PVSUGRKRGOEANZ-WDEREUQCSA-N 2 1 210.708 1.744 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c(C)c1 ZINC000685965856 538912537 /nfs/dbraw/zinc/91/25/37/538912537.db2.gz WOMKRVJHPFUOEV-CHWSQXEVSA-N 2 1 220.316 1.408 10 0 BDAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CCSC1 ZINC000252126587 398185560 /nfs/dbraw/zinc/18/55/60/398185560.db2.gz LMKTYNGITJBRKS-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]c(C)c2)C1 ZINC000166120614 538939030 /nfs/dbraw/zinc/93/90/30/538939030.db2.gz QGQLQNORQGZNBL-CYBMUJFWSA-N 2 1 235.331 1.523 10 0 BDAEMP CC[N@H+]1CCO[C@H](CNc2cc[nH+]c(C)c2)C1 ZINC000166120614 538939032 /nfs/dbraw/zinc/93/90/32/538939032.db2.gz QGQLQNORQGZNBL-CYBMUJFWSA-N 2 1 235.331 1.523 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])CN1c1cc[nH+]cc1Cl ZINC000306644460 361835462 /nfs/dbraw/zinc/83/54/62/361835462.db2.gz ZQDJQFCEQDUUKK-SFYZADRCSA-N 2 1 211.696 1.661 10 0 BDAEMP [NH3+][C@@H]1CCC[C@@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000335397801 398285889 /nfs/dbraw/zinc/28/58/89/398285889.db2.gz DGZKZRHSRCMMPL-NXEZZACHSA-N 2 1 230.315 1.667 10 0 BDAEMP c1cn2c([nH+]1)C[C@H](C[NH2+]C1CSC1)CC2 ZINC000380113258 538985319 /nfs/dbraw/zinc/98/53/19/538985319.db2.gz OUPLPLFIJSYOGQ-SECBINFHSA-N 2 1 223.345 1.151 10 0 BDAEMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000390441466 539021755 /nfs/dbraw/zinc/02/17/55/539021755.db2.gz VRNHBXFMCWGAIV-WOPDTQHZSA-N 2 1 219.332 1.691 10 0 BDAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCSC1 ZINC000126703345 344028741 /nfs/dbraw/zinc/02/87/41/344028741.db2.gz LMKTYNGITJBRKS-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])nc(C)[nH+]1 ZINC000165736750 343212126 /nfs/dbraw/zinc/21/21/26/343212126.db2.gz OTWLJISZBWQPIU-YUMQZZPRSA-N 2 1 208.309 1.631 10 0 BDAEMP CCc1cc(N[C@H](C)C[C@H](C)[NH3+])nc(C)[nH+]1 ZINC000165763103 343212408 /nfs/dbraw/zinc/21/24/08/343212408.db2.gz NQALAPADMFCWJB-DTWKUNHWSA-N 2 1 222.336 1.885 10 0 BDAEMP C[C@@H]1[C@@H](N)CCC[N@H+]1C[Si](C)(C)C ZINC000401789866 343241542 /nfs/dbraw/zinc/24/15/42/343241542.db2.gz HSTDCYKXQIAYHB-ZJUUUORDSA-N 2 1 200.402 1.675 10 0 BDAEMP CC(C)(C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000380218543 343694847 /nfs/dbraw/zinc/69/48/47/343694847.db2.gz IWMKXCFLIKEDBM-JTQLQIEISA-N 2 1 207.321 1.834 10 0 BDAEMP CCOc1cccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC000409422943 343814252 /nfs/dbraw/zinc/81/42/52/343814252.db2.gz NBRKGCXYEGOJKJ-RYUDHWBXSA-N 2 1 206.289 1.099 10 0 BDAEMP CC[N@H+]1CCOc2ccc(C[NH3+])cc2C1 ZINC000409423263 343815413 /nfs/dbraw/zinc/81/54/13/343815413.db2.gz PEWFMEZZLXARPW-UHFFFAOYSA-N 2 1 206.289 1.360 10 0 BDAEMP CC(F)(F)[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000409425728 343820460 /nfs/dbraw/zinc/82/04/60/343820460.db2.gz GPYJJQFXEORTOW-VIFPVBQESA-N 2 1 206.280 1.702 10 0 BDAEMP NCC[N@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429595 343806226 /nfs/dbraw/zinc/80/62/26/343806226.db2.gz OTQJLZQOJWJNRS-DTWKUNHWSA-N 2 1 204.264 1.312 10 0 BDAEMP COC[C@H](C)[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C ZINC000128393692 346987104 /nfs/dbraw/zinc/98/71/04/346987104.db2.gz 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/nfs/dbraw/zinc/88/96/49/344889649.db2.gz NMHZBGBOMZIEPC-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000248124988 345048084 /nfs/dbraw/zinc/04/80/84/345048084.db2.gz OHDTZRJUOWDDLP-LSDHHAIUSA-N 2 1 248.370 1.431 10 0 BDAEMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999134 345199444 /nfs/dbraw/zinc/19/94/44/345199444.db2.gz QLGUGBDWRMXHNN-SKDRFNHKSA-N 2 1 236.363 1.064 10 0 BDAEMP COCc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000634999508 345200656 /nfs/dbraw/zinc/20/06/56/345200656.db2.gz VPFLZGYKTDLLKJ-QWRGUYRKSA-N 2 1 238.331 1.453 10 0 BDAEMP [NH3+][C@@H]1CCc2[nH+]c(C3CCCC3)[nH]c2C1 ZINC000083986030 345921360 /nfs/dbraw/zinc/92/13/60/345921360.db2.gz OMTJTLYMTAWVKC-SECBINFHSA-N 2 1 205.305 1.883 10 0 BDAEMP C[C@H](C[NH3+])[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669377896 537966134 /nfs/dbraw/zinc/96/61/34/537966134.db2.gz ZIQQSXSZORIRHV-UKRRQHHQSA-N 2 1 248.370 1.608 10 0 BDAEMP C[C@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000580182117 346621361 /nfs/dbraw/zinc/62/13/61/346621361.db2.gz GLAJKSBENFJBHT-YNEHKIRRSA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CCC[NH2+]C1 ZINC000580182117 346621363 /nfs/dbraw/zinc/62/13/63/346621363.db2.gz GLAJKSBENFJBHT-YNEHKIRRSA-N 2 1 225.380 1.058 10 0 BDAEMP Cc1cccc(NC[C@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000144909101 179148638 /nfs/dbraw/zinc/14/86/38/179148638.db2.gz HYZPAWFZXYGDNF-ZDUSSCGKSA-N 2 1 249.358 1.649 10 0 BDAEMP CCSCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601327651 347214651 /nfs/dbraw/zinc/21/46/51/347214651.db2.gz YEDCWDNMBRIGAL-VHSXEESVSA-N 2 1 202.367 1.266 10 0 BDAEMP CC[N@@H+](C)Cc1cc(C[NH3+])c(F)cc1F ZINC000669380299 537988246 /nfs/dbraw/zinc/98/82/46/537988246.db2.gz WWTWRFRSQCHTEL-UHFFFAOYSA-N 2 1 214.259 1.875 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222023421 349988171 /nfs/dbraw/zinc/98/81/71/349988171.db2.gz ZNLJMYFZEXLFML-GARJFASQSA-N 2 1 216.394 1.796 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222023421 349988175 /nfs/dbraw/zinc/98/81/75/349988175.db2.gz ZNLJMYFZEXLFML-GARJFASQSA-N 2 1 216.394 1.796 10 0 BDAEMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CCC[NH2+]C1 ZINC000420165859 192167207 /nfs/dbraw/zinc/16/72/07/192167207.db2.gz NPLYKVHUSWIFOS-UWVGGRQHSA-N 2 1 245.330 1.758 10 0 BDAEMP Cc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])cc1F ZINC000669384693 538016472 /nfs/dbraw/zinc/01/64/72/538016472.db2.gz BLCNFDTWVJJUIV-PWSUYJOCSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1nc(N2CC[NH+](C)CC2)sc1[C@@H](C)[NH3+] ZINC000054864198 180002014 /nfs/dbraw/zinc/00/20/14/180002014.db2.gz NZMXXTOTWRFATG-MRVPVSSYSA-N 2 1 240.376 1.223 10 0 BDAEMP Cc1nccn1CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070975622 180253150 /nfs/dbraw/zinc/25/31/50/180253150.db2.gz KFIJYSYAKROCHY-CYBMUJFWSA-N 2 1 236.363 1.395 10 0 BDAEMP Cc1[nH+]ccn1Cc1cccnc1C[NH3+] ZINC000061656974 180268288 /nfs/dbraw/zinc/26/82/88/180268288.db2.gz FKOQFAYTZBMXIH-UHFFFAOYSA-N 2 1 202.261 1.094 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+]C1CC[NH2+]CC1 ZINC000038041433 350303008 /nfs/dbraw/zinc/30/30/08/350303008.db2.gz VSXZFTHUQXHFMT-CYBMUJFWSA-N 2 1 227.396 1.304 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)[C@H]1CCOC1 ZINC000396609596 323349880 /nfs/dbraw/zinc/34/98/80/323349880.db2.gz DLBMCVFUPSQIOY-FIQHERPVSA-N 2 1 212.337 1.142 10 0 BDAEMP C[C@H](CC(N)=[NH2+])[N@H+]1CCSC[C@H]1C ZINC000251893416 362978467 /nfs/dbraw/zinc/97/84/67/362978467.db2.gz VTTVNSLTHKCKHS-HTQZYQBOSA-N 2 1 201.339 1.138 10 0 BDAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CCOC(C)(C)C1 ZINC000228594018 350818583 /nfs/dbraw/zinc/81/85/83/350818583.db2.gz RKEBDHCDYVMUDJ-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP Nc1[nH+]cccc1[C@H]1CCCN(CC[NH3+])CC1 ZINC000616600778 350780650 /nfs/dbraw/zinc/78/06/50/350780650.db2.gz LYNNGZRTCRLHQZ-NSHDSACASA-N 2 1 234.347 1.192 10 0 BDAEMP NCC[N@@H+]1CCC[C@@H]1c1cccc(CCO)c1 ZINC000616608530 350804467 /nfs/dbraw/zinc/80/44/67/350804467.db2.gz VACOLYOCBIIQDO-CQSZACIVSA-N 2 1 234.343 1.317 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000306702779 350851191 /nfs/dbraw/zinc/85/11/91/350851191.db2.gz AGHNNWQDQICQBL-SSDOTTSWSA-N 2 1 230.109 1.193 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(N)=[NH2+] ZINC000306787457 351036957 /nfs/dbraw/zinc/03/69/57/351036957.db2.gz QNNZTSIULQLLKQ-GFCCVEGCSA-N 2 1 246.358 1.476 10 0 BDAEMP [NH3+]CC[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616662796 351219287 /nfs/dbraw/zinc/21/92/87/351219287.db2.gz MCNPWGKCZQRBDY-CQSZACIVSA-N 2 1 234.343 1.484 10 0 BDAEMP Cc1ccc(F)c([C@@H]([NH3+])CC[NH3+])c1F ZINC000307061463 351460012 /nfs/dbraw/zinc/46/00/12/351460012.db2.gz LCDHYQQCTHBVPP-QMMMGPOBSA-N 2 1 200.232 1.622 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1OC ZINC000725268191 538100336 /nfs/dbraw/zinc/10/03/36/538100336.db2.gz KJIZLLJQEZXZSN-ZWNOBZJWSA-N 2 1 236.315 1.108 10 0 BDAEMP CSC1CC[NH+]([C@H](C)[C@@H](C)[NH3+])CC1 ZINC000307148467 351502323 /nfs/dbraw/zinc/50/23/23/351502323.db2.gz QDEQABDWHKRZPL-RKDXNWHRSA-N 2 1 202.367 1.550 10 0 BDAEMP CC1(C)SC[C@@H]1[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000307168860 351542692 /nfs/dbraw/zinc/54/26/92/351542692.db2.gz WFLZNZDRCXMQCV-IUCAKERBSA-N 2 1 200.351 1.161 10 0 BDAEMP C/C(=C/Cl)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000393350974 351928947 /nfs/dbraw/zinc/92/89/47/351928947.db2.gz SSYGEZZGWGJFSJ-CLFYSBASSA-N 2 1 202.729 1.813 10 0 BDAEMP C/C(=C/Cl)C[N@H+](C)C1CC[NH2+]CC1 ZINC000393350974 351928950 /nfs/dbraw/zinc/92/89/50/351928950.db2.gz SSYGEZZGWGJFSJ-CLFYSBASSA-N 2 1 202.729 1.813 10 0 BDAEMP CC[C@@H]1C[N@@H+]([C@H](C)[C@@H](C)[NH3+])CCCO1 ZINC000300911717 363120657 /nfs/dbraw/zinc/12/06/57/363120657.db2.gz OYFZTHZLWJZPHB-GMTAPVOTSA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@@H]1C[N@H+]([C@H](C)[C@@H](C)[NH3+])CCCO1 ZINC000300911717 363120664 /nfs/dbraw/zinc/12/06/64/363120664.db2.gz OYFZTHZLWJZPHB-GMTAPVOTSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@@H]1CSCC[N@@H+](C2(C[NH3+])CC2)C1 ZINC000307560165 352649400 /nfs/dbraw/zinc/64/94/00/352649400.db2.gz HCUHSTGOATXQGR-VIFPVBQESA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1CSCC[N@H+](C2(C[NH3+])CC2)C1 ZINC000307560165 352649403 /nfs/dbraw/zinc/64/94/03/352649403.db2.gz HCUHSTGOATXQGR-VIFPVBQESA-N 2 1 200.351 1.163 10 0 BDAEMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C/C=C/Cl)C2 ZINC000307601076 352667011 /nfs/dbraw/zinc/66/70/11/352667011.db2.gz UITIKJHIMDXKGN-UJYZRXPGSA-N 2 1 214.740 1.800 10 0 BDAEMP C[C@H]1CC[N@H+](C2CC([NH3+])C2)CCS1 ZINC000307498326 352626119 /nfs/dbraw/zinc/62/61/19/352626119.db2.gz KEQKDBVEALGPLZ-IDKOKCKLSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1C1CCN(CC[NH3+])CC1 ZINC000725273972 538104976 /nfs/dbraw/zinc/10/49/76/538104976.db2.gz ZRQBTHOPOFZPSQ-BETUJISGSA-N 2 1 239.407 1.672 10 0 BDAEMP CCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000250755845 535187840 /nfs/dbraw/zinc/18/78/40/535187840.db2.gz FLHHNUFXGIIPSE-BFHYXJOUSA-N 2 1 240.391 1.875 10 0 BDAEMP C[C@@H]1C[C@@H](C[NH3+])CN1c1[nH+]cnc2[nH]ccc21 ZINC000420223217 192178640 /nfs/dbraw/zinc/17/86/40/192178640.db2.gz ZSIOYMCZQGQCOI-BDAKNGLRSA-N 2 1 231.303 1.131 10 0 BDAEMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000052172507 188258761 /nfs/dbraw/zinc/25/87/61/188258761.db2.gz RGSLMZHXXZBMPB-KGLIPLIRSA-N 2 1 238.375 1.629 10 0 BDAEMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000052172507 188258763 /nfs/dbraw/zinc/25/87/63/188258763.db2.gz RGSLMZHXXZBMPB-KGLIPLIRSA-N 2 1 238.375 1.629 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@H+](C)[C@@H]1CCSC1 ZINC000037175239 188279257 /nfs/dbraw/zinc/27/92/57/188279257.db2.gz RBRUEMPYYLIPHX-NXEZZACHSA-N 2 1 202.367 1.407 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](CCc2ccncc2)[C@H](C)C1 ZINC000049712967 188298848 /nfs/dbraw/zinc/29/88/48/188298848.db2.gz OETQPBMBGOHATQ-TZMCWYRMSA-N 2 1 233.359 1.696 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2ccncc2)[C@H](C)C1 ZINC000049712967 188298850 /nfs/dbraw/zinc/29/88/50/188298850.db2.gz OETQPBMBGOHATQ-TZMCWYRMSA-N 2 1 233.359 1.696 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]([C@H]2CCSC2)C1 ZINC000252214121 363219668 /nfs/dbraw/zinc/21/96/68/363219668.db2.gz YUSCOBXIBFGZEY-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000630079153 363286461 /nfs/dbraw/zinc/28/64/61/363286461.db2.gz WRHOOQVQPLXPQK-SCZZXKLOSA-N 2 1 209.293 1.010 10 0 BDAEMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000630079153 363286466 /nfs/dbraw/zinc/28/64/66/363286466.db2.gz WRHOOQVQPLXPQK-SCZZXKLOSA-N 2 1 209.293 1.010 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)([NH3+])C2)CS1 ZINC000405791926 355295601 /nfs/dbraw/zinc/29/56/01/355295601.db2.gz LIVXMBNHOHICAI-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@](C)([NH3+])C2)CS1 ZINC000405791926 355295602 /nfs/dbraw/zinc/29/56/02/355295602.db2.gz LIVXMBNHOHICAI-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP Cc1ccccc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399241563 355869163 /nfs/dbraw/zinc/86/91/63/355869163.db2.gz UKFIGYHMTNZOKS-UHFFFAOYSA-N 2 1 248.370 1.541 10 0 BDAEMP C[C@H](CC[NH3+])Nc1[nH+]cnc2[nH]ccc21 ZINC000420230415 192180784 /nfs/dbraw/zinc/18/07/84/192180784.db2.gz XMRBVCUULYUOKL-SSDOTTSWSA-N 2 1 205.265 1.107 10 0 BDAEMP [NH3+]C[C@H]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000420269957 192196045 /nfs/dbraw/zinc/19/60/45/192196045.db2.gz JDMMGBYLEPVWLH-DTWKUNHWSA-N 2 1 231.303 1.497 10 0 BDAEMP [NH3+][C@H]1C=C(C[C@@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076659 538511470 /nfs/dbraw/zinc/51/14/70/538511470.db2.gz FNOGBIFBDBWRQP-WPRPVWTQSA-N 2 1 216.275 1.669 10 0 BDAEMP [NH3+][C@@H]1C=C(CCc2ccccc2)C[NH2+]C1 ZINC000675078179 538515288 /nfs/dbraw/zinc/51/52/88/538515288.db2.gz NABRMJPPRVYESH-CYBMUJFWSA-N 2 1 202.301 1.476 10 0 BDAEMP Cc1cc(C2=C[C@H]([NH3+])CNC2)ccc1F ZINC000675079286 538517741 /nfs/dbraw/zinc/51/77/41/538517741.db2.gz XLWIGDOWNVNISG-NSHDSACASA-N 2 1 206.264 1.448 10 0 BDAEMP CCc1nc(N[C@@H]2C[NH2+]CC[C@H]2C)cc(C)[nH+]1 ZINC000389719875 357019446 /nfs/dbraw/zinc/01/94/46/357019446.db2.gz DSOZMBBECTXUQE-MWLCHTKSSA-N 2 1 234.347 1.179 10 0 BDAEMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000389925277 357068499 /nfs/dbraw/zinc/06/84/99/357068499.db2.gz VQJLQXDJIMSPJY-ZFWWWQNUSA-N 2 1 248.370 1.791 10 0 BDAEMP C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)C[C@H](C)S1 ZINC000168788516 357233073 /nfs/dbraw/zinc/23/30/73/357233073.db2.gz MQJQRHOWBUQZFU-AOOOYVTPSA-N 2 1 214.378 1.551 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000685945801 538887004 /nfs/dbraw/zinc/88/70/04/538887004.db2.gz BFDIPAVCMBFFLE-QWHCGFSZSA-N 2 1 220.316 1.490 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000685945940 538887522 /nfs/dbraw/zinc/88/75/22/538887522.db2.gz HEHHXEAMXBKUSZ-RYUDHWBXSA-N 2 1 208.280 1.620 10 0 BDAEMP COc1cccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685945969 538887659 /nfs/dbraw/zinc/88/76/59/538887659.db2.gz HVILWHJVLVCLTQ-NEPJUHHUSA-N 2 1 206.289 1.099 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCCO[C@H](C)C1 ZINC000685951794 538895242 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/nfs/dbraw/zinc/34/01/23/359340123.db2.gz HTUKXLQEYOWJFK-IUCAKERBSA-N 2 1 204.264 1.455 10 0 BDAEMP CC[N@H+]1CC[C@@H](CNCc2cnn(C)c2C)C1 ZINC000093649991 360266451 /nfs/dbraw/zinc/26/64/51/360266451.db2.gz UFXBNKVERBSWNB-LBPRGKRZSA-N 2 1 236.363 1.160 10 0 BDAEMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2C)C1 ZINC000093649991 360266454 /nfs/dbraw/zinc/26/64/54/360266454.db2.gz UFXBNKVERBSWNB-LBPRGKRZSA-N 2 1 236.363 1.160 10 0 BDAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2C)C1 ZINC000093649991 360266457 /nfs/dbraw/zinc/26/64/57/360266457.db2.gz UFXBNKVERBSWNB-LBPRGKRZSA-N 2 1 236.363 1.160 10 0 BDAEMP C[C@H]1C[C@@]2(COC(=[NH2+])N2)C[N@H+]1Cc1ccccc1 ZINC000306565391 360444492 /nfs/dbraw/zinc/44/44/92/360444492.db2.gz YBPXZGYMVAXPEW-FZMZJTMJSA-N 2 1 245.326 1.365 10 0 BDAEMP C[C@@H]([C@H]1CC[NH2+]C1)[N@H+]1CCSC[C@H]1C ZINC000306577057 360465195 /nfs/dbraw/zinc/46/51/95/360465195.db2.gz KYWWXDRXWAVKOQ-VWYCJHECSA-N 2 1 214.378 1.422 10 0 BDAEMP CC1(C[NH2+]C2CC[NH+](CCO)CC2)CCC1 ZINC000309759237 491155631 /nfs/dbraw/zinc/15/56/31/491155631.db2.gz IHWQWOKQCYPOJH-UHFFFAOYSA-N 2 1 226.364 1.223 10 0 BDAEMP NC1=[NH+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2S1 ZINC000077098369 181339476 /nfs/dbraw/zinc/33/94/76/181339476.db2.gz ZDQQMIMTDGBXBH-VXGBXAGGSA-N 2 1 247.367 1.691 10 0 BDAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCn1ccnc1 ZINC000054601905 181345015 /nfs/dbraw/zinc/34/50/15/181345015.db2.gz AQTIBNXRNOCTTQ-AGUYFDCRSA-N 2 1 248.374 1.617 10 0 BDAEMP [NH3+]C1CC[NH+]([C@@H]2CCCCCC2=O)CC1 ZINC000062749605 181345302 /nfs/dbraw/zinc/34/53/02/181345302.db2.gz VQRRPYSUKJPBKA-LLVKDONJSA-N 2 1 210.321 1.311 10 0 BDAEMP CCCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630354778 364077778 /nfs/dbraw/zinc/07/77/78/364077778.db2.gz AYCMXHCWESRCDL-GHMZBOCLSA-N 2 1 200.326 1.225 10 0 BDAEMP CO[C@@H]1C[N@H+](CCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630359727 364080696 /nfs/dbraw/zinc/08/06/96/364080696.db2.gz HCMXUQLGJBSXJY-LSDHHAIUSA-N 2 1 248.370 1.667 10 0 BDAEMP CO[C@@H]1C[N@@H+](CCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630359727 364080705 /nfs/dbraw/zinc/08/07/05/364080705.db2.gz HCMXUQLGJBSXJY-LSDHHAIUSA-N 2 1 248.370 1.667 10 0 BDAEMP CO[C@H]1C[N@@H+](CC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630364729 364082917 /nfs/dbraw/zinc/08/29/17/364082917.db2.gz SIXDZFRNQORNAV-OLZOCXBDSA-N 2 1 226.364 1.615 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630364730 364083419 /nfs/dbraw/zinc/08/34/19/364083419.db2.gz SIXDZFRNQORNAV-QWHCGFSZSA-N 2 1 226.364 1.615 10 0 BDAEMP CO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@@](C)(C[NH3+])C1 ZINC000630366761 364086351 /nfs/dbraw/zinc/08/63/51/364086351.db2.gz LOZOKFSGMGGVHN-ZUWCUPBKSA-N 2 1 238.375 1.471 10 0 BDAEMP CN(C)c1nc(N2CCCCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000630548302 364245055 /nfs/dbraw/zinc/24/50/55/364245055.db2.gz CKDKGGXSVDZMFE-NSHDSACASA-N 2 1 249.362 1.250 10 0 BDAEMP Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630565861 364263661 /nfs/dbraw/zinc/26/36/61/364263661.db2.gz AMAYVGVZRDKJBU-KCJUWKMLSA-N 2 1 220.320 1.124 10 0 BDAEMP Cc1cc[nH+]c(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000630570964 364266387 /nfs/dbraw/zinc/26/63/87/364266387.db2.gz NLXVMHZPWSPTPR-MNOVXSKESA-N 2 1 205.305 1.421 10 0 BDAEMP COc1ccc(C2=C[C@@H]([NH3+])CNC2)cc1 ZINC000675078266 541390209 /nfs/dbraw/zinc/39/02/09/541390209.db2.gz OGSGPKLJLWIGJO-LLVKDONJSA-N 2 1 204.273 1.009 10 0 BDAEMP [NH3+]CCCc1[nH+]ccn1Cc1ccccc1 ZINC000044281424 181388422 /nfs/dbraw/zinc/38/84/22/181388422.db2.gz MNJNCMGDELAYSG-UHFFFAOYSA-N 2 1 215.300 1.823 10 0 BDAEMP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000581005728 367231282 /nfs/dbraw/zinc/23/12/82/367231282.db2.gz DWBFIUFFKWRDOI-AGIUHOORSA-N 2 1 239.407 1.447 10 0 BDAEMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000581005728 367231285 /nfs/dbraw/zinc/23/12/85/367231285.db2.gz DWBFIUFFKWRDOI-AGIUHOORSA-N 2 1 239.407 1.447 10 0 BDAEMP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000581005730 367231533 /nfs/dbraw/zinc/23/15/33/367231533.db2.gz DWBFIUFFKWRDOI-FRRDWIJNSA-N 2 1 239.407 1.447 10 0 BDAEMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000581005730 367231539 /nfs/dbraw/zinc/23/15/39/367231539.db2.gz DWBFIUFFKWRDOI-FRRDWIJNSA-N 2 1 239.407 1.447 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000380758786 367299036 /nfs/dbraw/zinc/29/90/36/367299036.db2.gz VRFWMHBJEQRHDB-CHWSQXEVSA-N 2 1 227.396 1.447 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCS1 ZINC000252979922 368176265 /nfs/dbraw/zinc/17/62/65/368176265.db2.gz KAXTYSDKLPVSHQ-OUAUKWLOSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631837773 369102397 /nfs/dbraw/zinc/10/23/97/369102397.db2.gz WRMIZCRVWIEOLT-WOPDTQHZSA-N 2 1 212.337 1.082 10 0 BDAEMP C[C@H]1SCC[N@@H+](CC(C)(C)C[NH3+])[C@H]1C ZINC000132517119 371847015 /nfs/dbraw/zinc/84/70/15/371847015.db2.gz IMUVDYHGCWHFGV-VHSXEESVSA-N 2 1 216.394 1.797 10 0 BDAEMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])C2)CS1 ZINC000227511536 371878934 /nfs/dbraw/zinc/87/89/34/371878934.db2.gz BFMCSXHBTZBRTH-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])C2)CS1 ZINC000227511536 371878939 /nfs/dbraw/zinc/87/89/39/371878939.db2.gz BFMCSXHBTZBRTH-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP CC[C@@H]1C[N@H+](C2CC[NH2+]CC2)CCS1 ZINC000133027731 371974579 /nfs/dbraw/zinc/97/45/79/371974579.db2.gz IUNXZEBLQKOZBD-LLVKDONJSA-N 2 1 214.378 1.566 10 0 BDAEMP COC[C@@H](C)[C@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000163447273 371994933 /nfs/dbraw/zinc/99/49/33/371994933.db2.gz QGHWMRIHVWXVMR-YPMHNXCESA-N 2 1 222.332 1.386 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(N)=[NH2+] ZINC000306876906 372075274 /nfs/dbraw/zinc/07/52/74/372075274.db2.gz CBMGVEHJPYJJIR-WCQYABFASA-N 2 1 246.358 1.380 10 0 BDAEMP Cc1cc(C)n(CC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631837067 372627500 /nfs/dbraw/zinc/62/75/00/372627500.db2.gz MJSHGBRMLQLKPE-GXFFZTMASA-N 2 1 236.363 1.027 10 0 BDAEMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000631837895 372630346 /nfs/dbraw/zinc/63/03/46/372630346.db2.gz GWNTVCGQXKZWRH-KCJUWKMLSA-N 2 1 239.388 1.787 10 0 BDAEMP NC(=[NH2+])N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000070286810 374138395 /nfs/dbraw/zinc/13/83/95/374138395.db2.gz YXGISAWNHGOUSJ-LBPRGKRZSA-N 2 1 232.331 1.134 10 0 BDAEMP CCCC[C@H](C[NH3+])[N@H+](CCCOC)CCOC ZINC000042420825 169002677 /nfs/dbraw/zinc/00/26/77/169002677.db2.gz QTHLCJCITXOCSI-CYBMUJFWSA-N 2 1 246.395 1.489 10 0 BDAEMP CCCC[C@H](C[NH3+])[N@@H+](CCCOC)CCOC ZINC000042420825 169002679 /nfs/dbraw/zinc/00/26/79/169002679.db2.gz QTHLCJCITXOCSI-CYBMUJFWSA-N 2 1 246.395 1.489 10 0 BDAEMP O[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904453 183189472 /nfs/dbraw/zinc/18/94/72/183189472.db2.gz UPKNQDIAOVAOOI-FPMFFAJLSA-N 2 1 238.375 1.364 10 0 BDAEMP CCC[N@@H+](CCO)CC1(C[NH2+]CC)CCCC1 ZINC000051252742 169164762 /nfs/dbraw/zinc/16/47/62/169164762.db2.gz FAIQUMPCEXPRTA-UHFFFAOYSA-N 2 1 242.407 1.861 10 0 BDAEMP CCC[NH+]1CCN([C@H](C)CCC[NH3+])CC1 ZINC000052421941 169202920 /nfs/dbraw/zinc/20/29/20/169202920.db2.gz NBBBTYKFJCMATG-GFCCVEGCSA-N 2 1 213.369 1.141 10 0 BDAEMP CCC[NH2+][C@H](C)CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104127159 169285905 /nfs/dbraw/zinc/28/59/05/169285905.db2.gz JRTAFQGFZJGBGT-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+]C[C@@]1(C[N@H+]2CCC[C@@H]2C)CCOC1 ZINC000051205793 169263397 /nfs/dbraw/zinc/26/33/97/169263397.db2.gz FSLMOTZMVSCZMY-UONOGXRCSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[NH2+][C@@H]1CCN([C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000049216656 169283503 /nfs/dbraw/zinc/28/35/03/169283503.db2.gz OIMHXEANWDZBSY-ZIAGYGMSSA-N 2 1 239.407 1.545 10 0 BDAEMP C[C@H](CC1CC1)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371480401 383830417 /nfs/dbraw/zinc/83/04/17/383830417.db2.gz NYYQZHWFKMIFHU-PWSUYJOCSA-N 2 1 219.332 1.976 10 0 BDAEMP COC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCCC1 ZINC000319225147 384215389 /nfs/dbraw/zinc/21/53/89/384215389.db2.gz UGTRSKWHGFIZAV-RWMBFGLXSA-N 2 1 238.375 1.615 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000335583377 384344796 /nfs/dbraw/zinc/34/47/96/384344796.db2.gz WODALGJGUCMNIC-RKDXNWHRSA-N 2 1 225.723 1.696 10 0 BDAEMP [NH3+]C[C@@H]1CCCC[N@@H+]1[C@@H]1CCSC1 ZINC000044540002 384785391 /nfs/dbraw/zinc/78/53/91/384785391.db2.gz ZAGFSBOLXLAJOV-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]C[C@@H]1CCCC[N@H+]1[C@@H]1CCSC1 ZINC000044540002 384785396 /nfs/dbraw/zinc/78/53/96/384785396.db2.gz ZAGFSBOLXLAJOV-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H](c1ccnn1C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310362398 384792964 /nfs/dbraw/zinc/79/29/64/384792964.db2.gz KTCNQEUUQBGEEY-NQBHXWOUSA-N 2 1 236.363 1.398 10 0 BDAEMP Fc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1F ZINC000258940308 384953406 /nfs/dbraw/zinc/95/34/06/384953406.db2.gz QJDCTRHHLBWDTK-JTQLQIEISA-N 2 1 226.270 1.664 10 0 BDAEMP Cc1ccc(F)c(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398339420 385056751 /nfs/dbraw/zinc/05/67/51/385056751.db2.gz FWJRDMKCNACAJS-LLVKDONJSA-N 2 1 222.307 1.833 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](C)O)C2)[nH+]1 ZINC000192984727 385378224 /nfs/dbraw/zinc/37/82/24/385378224.db2.gz SFNOSHGVQKARAY-OLZOCXBDSA-N 2 1 249.358 1.505 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](C)O)C2)[nH+]1 ZINC000192984727 385378228 /nfs/dbraw/zinc/37/82/28/385378228.db2.gz SFNOSHGVQKARAY-OLZOCXBDSA-N 2 1 249.358 1.505 10 0 BDAEMP CO[C@H]1C[N@@H+](C(C)C)[C@H]1C1CC[NH2+]CC1 ZINC000169676815 385417591 /nfs/dbraw/zinc/41/75/91/385417591.db2.gz WLEJSTDJPLZDDI-RYUDHWBXSA-N 2 1 212.337 1.094 10 0 BDAEMP CC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[C@H]1[NH3+] ZINC000643033510 385535494 /nfs/dbraw/zinc/53/54/94/385535494.db2.gz ODFACMCWKKFNKL-MWLCHTKSSA-N 2 1 245.330 1.522 10 0 BDAEMP C([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCCSC1 ZINC000307028910 385649693 /nfs/dbraw/zinc/64/96/93/385649693.db2.gz BPFRSWJQHDPSAG-ZJUUUORDSA-N 2 1 200.351 1.081 10 0 BDAEMP Cc1c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cnn1C ZINC000228338270 385667951 /nfs/dbraw/zinc/66/79/51/385667951.db2.gz TXTSTPCJCKTJFC-SKDRFNHKSA-N 2 1 222.336 1.040 10 0 BDAEMP Cc1c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cnn1C ZINC000228338270 385667955 /nfs/dbraw/zinc/66/79/55/385667955.db2.gz TXTSTPCJCKTJFC-SKDRFNHKSA-N 2 1 222.336 1.040 10 0 BDAEMP c1ccc2c(c1)CC(C[NH2+][C@H]1CC[NH2+]C1)C2 ZINC000335045005 385939572 /nfs/dbraw/zinc/93/95/72/385939572.db2.gz WZUZBTMAPPGTDW-AWEZNQCLSA-N 2 1 216.328 1.353 10 0 BDAEMP CC[C@H]([NH3+])CNc1cc[nH+]cc1Br ZINC000165050884 386503114 /nfs/dbraw/zinc/50/31/14/386503114.db2.gz CHUBADJCUBZSJI-ZETCQYMHSA-N 2 1 244.136 1.993 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000647971252 386510101 /nfs/dbraw/zinc/51/01/01/386510101.db2.gz ZZPQGPAXYNTFFL-IHRRRGAJSA-N 2 1 240.391 1.421 10 0 BDAEMP CC(C)(C)[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000324260742 386833993 /nfs/dbraw/zinc/83/39/93/386833993.db2.gz HBAXYQATGQQBQE-ZDUSSCGKSA-N 2 1 240.391 1.610 10 0 BDAEMP CC[C@H]1CS[C@@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575575810 387005325 /nfs/dbraw/zinc/00/53/25/387005325.db2.gz NTCSWBWHMKXVBZ-VHSXEESVSA-N 2 1 200.351 1.571 10 0 BDAEMP C[C@H]1C[N@@H+](C[C@H]2C[C@H]([NH3+])C2)CCS1 ZINC000575485412 387254359 /nfs/dbraw/zinc/25/43/59/387254359.db2.gz OOMAUUDILLTUPM-GUBZILKMSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000515516620 387384262 /nfs/dbraw/zinc/38/42/62/387384262.db2.gz AHOUOTHZMUSMAG-KGLIPLIRSA-N 3 1 241.423 1.696 10 0 BDAEMP c1cn2c([nH+]1)C[C@H](C[NH2+]CC1CC1)CC2 ZINC000368435562 387351968 /nfs/dbraw/zinc/35/19/68/387351968.db2.gz SVDORALRAGPXFV-LLVKDONJSA-N 2 1 205.305 1.445 10 0 BDAEMP Cc1cnn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000300409710 387520137 /nfs/dbraw/zinc/52/01/37/387520137.db2.gz NSCJJIJRVKNILN-KBPBESRZSA-N 2 1 248.374 1.408 10 0 BDAEMP Cc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)o1 ZINC000422968575 387819531 /nfs/dbraw/zinc/81/95/31/387819531.db2.gz XDMHLELQKSRASV-NXEZZACHSA-N 2 1 208.305 1.847 10 0 BDAEMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCS1 ZINC000245587514 387964768 /nfs/dbraw/zinc/96/47/68/387964768.db2.gz FFAHLMFXPGDBOF-NWDGAFQWSA-N 2 1 228.405 1.908 10 0 BDAEMP C[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCS1 ZINC000245587514 387964772 /nfs/dbraw/zinc/96/47/72/387964772.db2.gz FFAHLMFXPGDBOF-NWDGAFQWSA-N 2 1 228.405 1.908 10 0 BDAEMP C[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCS1 ZINC000245587514 387964774 /nfs/dbraw/zinc/96/47/74/387964774.db2.gz FFAHLMFXPGDBOF-NWDGAFQWSA-N 2 1 228.405 1.908 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166592561 388254818 /nfs/dbraw/zinc/25/48/18/388254818.db2.gz MHPDAJAMKLSBIX-JHJVBQTASA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCS2)C1 ZINC000575523949 388359086 /nfs/dbraw/zinc/35/90/86/388359086.db2.gz ZRYHGSOSBPGGFU-ZJUUUORDSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCS2)C1 ZINC000575523949 388359087 /nfs/dbraw/zinc/35/90/87/388359087.db2.gz ZRYHGSOSBPGGFU-ZJUUUORDSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CCSC[C@@H]1C ZINC000228600384 388386292 /nfs/dbraw/zinc/38/62/92/388386292.db2.gz MCGVFZNMQLJIIE-GUBZILKMSA-N 2 1 202.367 1.407 10 0 BDAEMP [NH3+]C[C@H]1CC[C@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000335578711 388451981 /nfs/dbraw/zinc/45/19/81/388451981.db2.gz GCXZCVOTFOEJEK-UWVGGRQHSA-N 2 1 230.315 1.524 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364374067 388563843 /nfs/dbraw/zinc/56/38/43/388563843.db2.gz IYJXVTFYZMNGJV-GXSJLCMTSA-N 2 1 205.305 1.586 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CC[N@@H+]1C ZINC000247962704 388671817 /nfs/dbraw/zinc/67/18/17/388671817.db2.gz GJTYHAYZPGVWJW-RQJABVFESA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CC[N@H+]1C ZINC000247962704 388671819 /nfs/dbraw/zinc/67/18/19/388671819.db2.gz GJTYHAYZPGVWJW-RQJABVFESA-N 2 1 240.391 1.610 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCNC[C@@H]1F ZINC000575458650 388801757 /nfs/dbraw/zinc/80/17/57/388801757.db2.gz KMNKVEKMMUFWDN-QWHCGFSZSA-N 2 1 222.307 1.818 10 0 BDAEMP Cc1ccc(N2CCC(CC[NH3+])CC2)[nH+]c1 ZINC000053705686 132363329 /nfs/dbraw/zinc/36/33/29/132363329.db2.gz XIUDKJMDEYXOBC-UHFFFAOYSA-N 2 1 219.332 1.955 10 0 BDAEMP Cc1cc(N2C[C@H](C)[NH2+][C@@H](C)C2)nc(C)[nH+]1 ZINC000053712413 132363565 /nfs/dbraw/zinc/36/35/65/132363565.db2.gz AAHPFQMFLWOHSQ-UWVGGRQHSA-N 2 1 220.320 1.280 10 0 BDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCn1ccnc1 ZINC000183178633 134348837 /nfs/dbraw/zinc/34/88/37/134348837.db2.gz DNZUWGXEAVPVOC-UONOGXRCSA-N 2 1 248.374 1.442 10 0 BDAEMP CC1(C)CC([NH2+]Cc2cncnc2)CC(C)(C)[NH2+]1 ZINC000054767115 134769965 /nfs/dbraw/zinc/76/99/65/134769965.db2.gz IRLHJLRMQGUVBF-UHFFFAOYSA-N 2 1 248.374 1.875 10 0 BDAEMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)[C@H]1CO ZINC000248989068 135029915 /nfs/dbraw/zinc/02/99/15/135029915.db2.gz WVOCMTSQHRZRCL-OLZOCXBDSA-N 2 1 226.364 1.175 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000251419452 135069864 /nfs/dbraw/zinc/06/98/64/135069864.db2.gz PMGVUMFEERJODY-STQMWFEESA-N 2 1 227.396 1.243 10 0 BDAEMP CC(C)OCC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261538072 135175173 /nfs/dbraw/zinc/17/51/73/135175173.db2.gz XIVQDYAECOXKIM-NSHDSACASA-N 2 1 214.353 1.471 10 0 BDAEMP CCC1(C[N@H+]2CC[C@H](C[NH3+])C2)CCOCC1 ZINC000261560911 135201851 /nfs/dbraw/zinc/20/18/51/135201851.db2.gz AIGUCKKMFQCTKX-GFCCVEGCSA-N 2 1 226.364 1.474 10 0 BDAEMP C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000348185633 136044509 /nfs/dbraw/zinc/04/45/09/136044509.db2.gz BWICRPDCUDVSFF-QJPTWQEYSA-N 2 1 212.337 1.238 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1[C@H]1CCS[C@H]1C ZINC000575592404 397990588 /nfs/dbraw/zinc/99/05/88/397990588.db2.gz RLPISWKGEPOMSZ-KATARQTJSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1[C@H]1CCS[C@H]1C ZINC000575592404 397990592 /nfs/dbraw/zinc/99/05/92/397990592.db2.gz RLPISWKGEPOMSZ-KATARQTJSA-N 2 1 200.351 1.302 10 0 BDAEMP CC(C)[NH2+]C[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000052424087 167111150 /nfs/dbraw/zinc/11/11/50/167111150.db2.gz ZXYXCOBFEXEGIW-GFCCVEGCSA-N 2 1 213.369 1.010 10 0 BDAEMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000665274085 410743735 /nfs/dbraw/zinc/74/37/35/410743735.db2.gz JKSPTKRLEWKOFV-RDBSUJKOSA-N 2 1 239.407 1.448 10 0 BDAEMP CCCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000665274085 410743745 /nfs/dbraw/zinc/74/37/45/410743745.db2.gz JKSPTKRLEWKOFV-RDBSUJKOSA-N 2 1 239.407 1.448 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CCS[C@@H](C)C1 ZINC000309302481 410792053 /nfs/dbraw/zinc/79/20/53/410792053.db2.gz YVPQKEYJAHRNHJ-RYUDHWBXSA-N 2 1 246.420 1.125 10 0 BDAEMP CCc1nc(NCCC2(C[NH3+])CC2)cc(C)[nH+]1 ZINC000395930796 410866370 /nfs/dbraw/zinc/86/63/70/410866370.db2.gz FJQUGRJJOKPFOI-UHFFFAOYSA-N 2 1 234.347 1.310 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000053651815 167110685 /nfs/dbraw/zinc/11/06/85/167110685.db2.gz BDDLEMFMFFKESN-KBPBESRZSA-N 2 1 240.391 1.875 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000053651815 167110687 /nfs/dbraw/zinc/11/06/87/167110687.db2.gz BDDLEMFMFFKESN-KBPBESRZSA-N 2 1 240.391 1.875 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000053033575 167113947 /nfs/dbraw/zinc/11/39/47/167113947.db2.gz GFTUSEUPQNTIJT-KBPBESRZSA-N 2 1 240.391 1.875 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000104196078 167114216 /nfs/dbraw/zinc/11/42/16/167114216.db2.gz MUDWIRCEWUWXPW-AWEZNQCLSA-N 2 1 240.391 1.733 10 0 BDAEMP CC(C)[C@@H](CN(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000049332732 167395942 /nfs/dbraw/zinc/39/59/42/167395942.db2.gz HSNYBXLWVOWOEV-CQSZACIVSA-N 2 1 241.423 1.648 10 0 BDAEMP CC[C@@H]1CN(c2cc(C)cc[nH+]2)CC[C@@H]1[NH3+] ZINC000122948459 411436763 /nfs/dbraw/zinc/43/67/63/411436763.db2.gz XVWWOVJPHFZZJC-NEPJUHHUSA-N 2 1 219.332 1.954 10 0 BDAEMP CC[NH+]1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764292 169990018 /nfs/dbraw/zinc/99/00/18/169990018.db2.gz OARFGPLQPLKPTN-CYBMUJFWSA-N 2 1 225.380 1.156 10 0 BDAEMP CC[NH2+]CC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000104429554 170111838 /nfs/dbraw/zinc/11/18/38/170111838.db2.gz DXCDGWTWBHLCEC-UHFFFAOYSA-N 2 1 238.335 1.200 10 0 BDAEMP CC[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598711 170119148 /nfs/dbraw/zinc/11/91/48/170119148.db2.gz SQUDYMVLLXOWPL-LSDHHAIUSA-N 2 1 248.370 1.446 10 0 BDAEMP CC[NH2+]C[C@@H]1CCCN(c2[nH+]ccn2C)C1 ZINC000053696206 170119957 /nfs/dbraw/zinc/11/99/57/170119957.db2.gz PZEQQGRKUOYGGY-NSHDSACASA-N 2 1 222.336 1.246 10 0 BDAEMP CC[NH2+]C[C@H]1CCCCN1c1[nH+]ccn1C ZINC000053698428 170122845 /nfs/dbraw/zinc/12/28/45/170122845.db2.gz SSEWQCPPPPTIEB-LLVKDONJSA-N 2 1 222.336 1.389 10 0 BDAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](CC)CCOC)O1 ZINC000052542780 170123856 /nfs/dbraw/zinc/12/38/56/170123856.db2.gz RVTOYABDGNKDME-OLZOCXBDSA-N 2 1 244.379 1.112 10 0 BDAEMP CC[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC000052379579 170128235 /nfs/dbraw/zinc/12/82/35/170128235.db2.gz UAEAQHUWDPPWCD-UHFFFAOYSA-N 2 1 247.386 1.544 10 0 BDAEMP CCOC(C[N@@H+]1CCC[C@@H](C[NH2+]C)C1)OCC ZINC000104353218 170314470 /nfs/dbraw/zinc/31/44/70/170314470.db2.gz YYJZPHVIYISJRR-LBPRGKRZSA-N 2 1 244.379 1.317 10 0 BDAEMP CCOC(C[N@H+]1CCC[C@@H](C[NH2+]C)C1)OCC ZINC000104353218 170314472 /nfs/dbraw/zinc/31/44/72/170314472.db2.gz YYJZPHVIYISJRR-LBPRGKRZSA-N 2 1 244.379 1.317 10 0 BDAEMP Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000133594968 411852774 /nfs/dbraw/zinc/85/27/74/411852774.db2.gz OVZKZLNJKXUBOW-LBPRGKRZSA-N 2 1 236.363 1.903 10 0 BDAEMP CC[C@H](C)[N@@H+](CCOC)C1(C[NH3+])CCOCC1 ZINC000042578058 171315500 /nfs/dbraw/zinc/31/55/00/171315500.db2.gz QVXYFAOECIXCOK-LBPRGKRZSA-N 2 1 244.379 1.241 10 0 BDAEMP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1CCCSCC1 ZINC000042444908 171372666 /nfs/dbraw/zinc/37/26/66/171372666.db2.gz HFSBMJYGEMMCLJ-QWRGUYRKSA-N 2 1 216.394 1.799 10 0 BDAEMP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CCCSCC1 ZINC000042444908 171372667 /nfs/dbraw/zinc/37/26/67/171372667.db2.gz HFSBMJYGEMMCLJ-QWRGUYRKSA-N 2 1 216.394 1.799 10 0 BDAEMP CC[C@H](C)[C@H]([NH3+])C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388626 171396843 /nfs/dbraw/zinc/39/68/43/171396843.db2.gz VRIIZXJZWXAYHU-GXTWGEPZSA-N 3 1 241.423 1.633 10 0 BDAEMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000665236875 412177110 /nfs/dbraw/zinc/17/71/10/412177110.db2.gz VUKMHJYWXBWLFS-GFCCVEGCSA-N 2 1 225.380 1.201 10 0 BDAEMP Cc1cc(NCC[C@@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000663275997 412405043 /nfs/dbraw/zinc/40/50/43/412405043.db2.gz INIFRAWYDHUMJR-LLVKDONJSA-N 2 1 222.336 1.879 10 0 BDAEMP CCn1cc[nH+]c1N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000050614364 172226240 /nfs/dbraw/zinc/22/62/40/172226240.db2.gz ZDZOLBVOYOFOAY-GRYCIOLGSA-N 2 1 234.347 1.467 10 0 BDAEMP CCn1cc[nH+]c1N[C@H]1CCC[N@@H+](C)C1 ZINC000050614148 172227201 /nfs/dbraw/zinc/22/72/01/172227201.db2.gz TUEMGDAWJMCTBN-JTQLQIEISA-N 2 1 208.309 1.409 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CCN1CCC[NH2+]CC1 ZINC000036964300 173007984 /nfs/dbraw/zinc/00/79/84/173007984.db2.gz XEINHGIYRGVBEV-ZDUSSCGKSA-N 2 1 225.380 1.156 10 0 BDAEMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000195523218 173030156 /nfs/dbraw/zinc/03/01/56/173030156.db2.gz FIDOQGPCDVNILQ-LLVKDONJSA-N 2 1 224.352 1.137 10 0 BDAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccncc1 ZINC000082382484 173042353 /nfs/dbraw/zinc/04/23/53/173042353.db2.gz VOHPKDFDHYLFHK-VXGBXAGGSA-N 2 1 205.305 1.423 10 0 BDAEMP CN(c1cc(N)cc[nH+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000053205858 173043503 /nfs/dbraw/zinc/04/35/03/173043503.db2.gz WEXYOACMSDQHRB-NSHDSACASA-N 2 1 220.320 1.194 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037484576 173116296 /nfs/dbraw/zinc/11/62/96/173116296.db2.gz LWBFILVCHPBCRX-LBPRGKRZSA-N 2 1 222.307 1.867 10 0 BDAEMP C[N@@H+]1CC[C@@](C[NH3+])(N2CCCCCCC2)C1 ZINC000061990132 173137062 /nfs/dbraw/zinc/13/70/62/173137062.db2.gz RMWXCQAAECVQPE-ZDUSSCGKSA-N 2 1 225.380 1.286 10 0 BDAEMP C[N@H+]1CC[C@@](C[NH3+])(N2CCCCCCC2)C1 ZINC000061990132 173137063 /nfs/dbraw/zinc/13/70/63/173137063.db2.gz RMWXCQAAECVQPE-ZDUSSCGKSA-N 2 1 225.380 1.286 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037484565 173147462 /nfs/dbraw/zinc/14/74/62/173147462.db2.gz WFTUPLAJVRRIOH-GFCCVEGCSA-N 2 1 220.316 1.434 10 0 BDAEMP C[N@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH3+])C[C@H]1CO ZINC000008773210 173205354 /nfs/dbraw/zinc/20/53/54/173205354.db2.gz FNZLCSYYPUUXAU-GBIKHYSHSA-N 2 1 238.306 1.138 10 0 BDAEMP C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH3+])C[C@H]1CO ZINC000008773210 173205356 /nfs/dbraw/zinc/20/53/56/173205356.db2.gz FNZLCSYYPUUXAU-GBIKHYSHSA-N 2 1 238.306 1.138 10 0 BDAEMP C[NH+](C)C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523979 173206976 /nfs/dbraw/zinc/20/69/76/173206976.db2.gz UAEZYXMLAMZZJK-YHWZYXNKSA-N 2 1 239.407 1.541 10 0 BDAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOC ZINC000054601526 173324174 /nfs/dbraw/zinc/32/41/74/173324174.db2.gz KDGSHGJEKDZPKX-YOGCLGLASA-N 2 1 212.337 1.238 10 0 BDAEMP C[NH2+]CC1(C[N@@H+](C)C[C@H]2C[C@H]2C)CCOCC1 ZINC000104426967 173338110 /nfs/dbraw/zinc/33/81/10/173338110.db2.gz VTQKSXHILCSAMH-CHWSQXEVSA-N 2 1 240.391 1.590 10 0 BDAEMP C[NH2+]CC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000077306737 173359082 /nfs/dbraw/zinc/35/90/82/173359082.db2.gz LXXOVVLKHXHMBP-LBPRGKRZSA-N 2 1 214.353 1.221 10 0 BDAEMP C[NH2+]C[C@@H](O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000019864110 173364545 /nfs/dbraw/zinc/36/45/45/173364545.db2.gz UVTBBGUQHKYGQN-CQSZACIVSA-N 2 1 236.359 1.477 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCn2ccnc2)C1 ZINC000053034308 173369550 /nfs/dbraw/zinc/36/95/50/173369550.db2.gz ZSOAMYDYZXSHPN-ZDUSSCGKSA-N 2 1 236.363 1.205 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000011891988 173371138 /nfs/dbraw/zinc/37/11/38/173371138.db2.gz DKCWGWSEUSAELY-LBPRGKRZSA-N 2 1 236.334 1.910 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCSC2)C1 ZINC000040591904 173378626 /nfs/dbraw/zinc/37/86/26/173378626.db2.gz GZRAJPODPKZBQG-GHMZBOCLSA-N 2 1 214.378 1.423 10 0 BDAEMP C[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCCSCC2)O1 ZINC000052371142 173382491 /nfs/dbraw/zinc/38/24/91/173382491.db2.gz CMNDKPCGKQOTPR-VXGBXAGGSA-N 2 1 244.404 1.192 10 0 BDAEMP C[NH2+]C[C@]1(C[N@H+]2CCCSCC2)CCOC1 ZINC000051284261 173384319 /nfs/dbraw/zinc/38/43/19/173384319.db2.gz CUQNGLUIZUOBNJ-LBPRGKRZSA-N 2 1 244.404 1.051 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCCOCC1 ZINC000061935825 173391520 /nfs/dbraw/zinc/39/15/20/173391520.db2.gz WWCXSUMBNNSGPG-UHFFFAOYSA-N 2 1 224.304 1.221 10 0 BDAEMP C[NH2+]Cc1nc(C[N@@H+]2CCC[C@@H]2C)cs1 ZINC000052375492 173394949 /nfs/dbraw/zinc/39/49/49/173394949.db2.gz FKILXTHWHQAVKW-VIFPVBQESA-N 2 1 225.361 1.847 10 0 BDAEMP C[NH2+]Cc1nc(C[N@H+]2CCC[C@@H]2C)cs1 ZINC000052375492 173394951 /nfs/dbraw/zinc/39/49/51/173394951.db2.gz FKILXTHWHQAVKW-VIFPVBQESA-N 2 1 225.361 1.847 10 0 BDAEMP COCCC[N@H+](CCOC)C[C@H]([NH3+])C(C)(C)C ZINC000042421789 174224153 /nfs/dbraw/zinc/22/41/53/174224153.db2.gz IUADEEJUZFLUQP-LBPRGKRZSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@@H+](CCOC)C[C@H]([NH3+])C(C)(C)C ZINC000042421789 174224154 /nfs/dbraw/zinc/22/41/54/174224154.db2.gz IUADEEJUZFLUQP-LBPRGKRZSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@@H+](CCOC)[C@](C)(C[NH3+])C(C)C ZINC000042420826 174225292 /nfs/dbraw/zinc/22/52/92/174225292.db2.gz HLHQEXQCHCYXBF-CYBMUJFWSA-N 2 1 246.395 1.345 10 0 BDAEMP COCC[N@@H+](CC(C)C)C1(C[NH3+])CCOCC1 ZINC000042368057 174287485 /nfs/dbraw/zinc/28/74/85/174287485.db2.gz OYRUASYNQRPCSF-UHFFFAOYSA-N 2 1 244.379 1.099 10 0 BDAEMP COc1cccc(C[NH+]2CCC[NH2+]CCC2)c1 ZINC000049666971 175259117 /nfs/dbraw/zinc/25/91/17/175259117.db2.gz DOBNPQJFOFWQFL-UHFFFAOYSA-N 2 1 234.343 1.881 10 0 BDAEMP C[C@@H](c1ccc(O)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245051 176017337 /nfs/dbraw/zinc/01/73/37/176017337.db2.gz ANCIEBNZRCQAFJ-WDEREUQCSA-N 2 1 220.316 1.734 10 0 BDAEMP C[C@@H]1CC[N@H+](Cc2ccco2)CCC[NH2+]1 ZINC000049664323 176175522 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/nfs/dbraw/zinc/21/52/50/176215250.db2.gz NQYJPDJYSJUYGV-HZSPNIEDSA-N 2 1 242.407 1.667 10 0 BDAEMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCC[NH2+]2)CCO1 ZINC000052764279 176289922 /nfs/dbraw/zinc/28/99/22/176289922.db2.gz QOWPMNWPSFMBBJ-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000061934637 176292979 /nfs/dbraw/zinc/29/29/79/176292979.db2.gz JQBZDBYQVDDUSV-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@H+](Cc2ccccn2)C1 ZINC000049666524 176324632 /nfs/dbraw/zinc/32/46/32/176324632.db2.gz RKAODRQGAKFLND-GFCCVEGCSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](Cc2ccccn2)C1 ZINC000049666524 176324633 /nfs/dbraw/zinc/32/46/33/176324633.db2.gz RKAODRQGAKFLND-GFCCVEGCSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCc1ccncc1 ZINC000104213294 176330354 /nfs/dbraw/zinc/33/03/54/176330354.db2.gz CNVIXQOSBMARIA-OCCSQVGLSA-N 2 1 233.359 1.411 10 0 BDAEMP C[C@@H]1CSC(NC[C@H]2CC[N@@H+](C)C2)=[NH+]1 ZINC000037485239 176349045 /nfs/dbraw/zinc/34/90/45/176349045.db2.gz MLBNXSIDYPKPNR-RKDXNWHRSA-N 2 1 213.350 1.019 10 0 BDAEMP C[C@H]1CCC[N@@H+]1[C@@H](CN)c1ccccn1 ZINC000037910326 177111801 /nfs/dbraw/zinc/11/18/01/177111801.db2.gz VDDWXKQWIAGAJR-JQWIXIFHSA-N 2 1 205.305 1.566 10 0 BDAEMP C[C@H]1CCC[N@H+]1[C@@H](CN)c1ccccn1 ZINC000037910326 177111803 /nfs/dbraw/zinc/11/18/03/177111803.db2.gz VDDWXKQWIAGAJR-JQWIXIFHSA-N 2 1 205.305 1.566 10 0 BDAEMP C[C@H]1CCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1N ZINC000037910690 177112049 /nfs/dbraw/zinc/11/20/49/177112049.db2.gz IRXWOVMFIYTFDI-SUHUHFCYSA-N 2 1 232.327 1.932 10 0 BDAEMP C[C@H]1CCCN1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037910690 177112051 /nfs/dbraw/zinc/11/20/51/177112051.db2.gz IRXWOVMFIYTFDI-SUHUHFCYSA-N 2 1 232.327 1.932 10 0 BDAEMP C[C@@H]1CC[N@@H+](C2CCOCC2)CC[C@H](C)[NH2+]1 ZINC000049666374 177157224 /nfs/dbraw/zinc/15/72/24/177157224.db2.gz GQHUQVKWVHBFQZ-TXEJJXNPSA-N 2 1 226.364 1.628 10 0 BDAEMP C[C@H]1C[N@@H+](CC2CCC([NH3+])CC2)CCCO1 ZINC000061934580 177245042 /nfs/dbraw/zinc/24/50/42/177245042.db2.gz ZBINNIGQRMWLTQ-HIFPTAJRSA-N 2 1 226.364 1.615 10 0 BDAEMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000051209624 177245337 /nfs/dbraw/zinc/24/53/37/177245337.db2.gz RVMJFDFLPKYDOR-AOOOYVTPSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]1C[N@H+](CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000051209624 177245339 /nfs/dbraw/zinc/24/53/39/177245339.db2.gz RVMJFDFLPKYDOR-AOOOYVTPSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000161644321 177254299 /nfs/dbraw/zinc/25/42/99/177254299.db2.gz FFAHLMFXPGDBOF-RYUDHWBXSA-N 2 1 228.405 1.908 10 0 BDAEMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000161644321 177254300 /nfs/dbraw/zinc/25/43/00/177254300.db2.gz FFAHLMFXPGDBOF-RYUDHWBXSA-N 2 1 228.405 1.908 10 0 BDAEMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCS1 ZINC000161644321 177254301 /nfs/dbraw/zinc/25/43/01/177254301.db2.gz FFAHLMFXPGDBOF-RYUDHWBXSA-N 2 1 228.405 1.908 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000042824599 177283173 /nfs/dbraw/zinc/28/31/73/177283173.db2.gz GNEQPYGGWARESY-RYUDHWBXSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000042824599 177283174 /nfs/dbraw/zinc/28/31/74/177283174.db2.gz GNEQPYGGWARESY-RYUDHWBXSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@H]1COCC[N@@H+]1CC1(C[NH3+])CCCC1 ZINC000051216758 177290683 /nfs/dbraw/zinc/29/06/83/177290683.db2.gz NKYKNCYQTVCQQP-NSHDSACASA-N 2 1 212.337 1.226 10 0 BDAEMP C[C@H]1COCC[N@H+]1CC1(C[NH3+])CCCC1 ZINC000051216758 177290686 /nfs/dbraw/zinc/29/06/86/177290686.db2.gz NKYKNCYQTVCQQP-NSHDSACASA-N 2 1 212.337 1.226 10 0 BDAEMP Cc1cncc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000226466966 487752630 /nfs/dbraw/zinc/75/26/30/487752630.db2.gz TWYJAYSFXSCHNP-AWEZNQCLSA-N 2 1 233.359 1.964 10 0 BDAEMP Cc1cncc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000226466966 487752635 /nfs/dbraw/zinc/75/26/35/487752635.db2.gz TWYJAYSFXSCHNP-AWEZNQCLSA-N 2 1 233.359 1.964 10 0 BDAEMP COc1ccncc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566732300 326077320 /nfs/dbraw/zinc/07/73/20/326077320.db2.gz WWOPZIQZEOKJRI-RYUDHWBXSA-N 2 1 249.358 1.568 10 0 BDAEMP OCC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000220371278 487979962 /nfs/dbraw/zinc/97/99/62/487979962.db2.gz VYXXIGQJYFKZDW-QWHCGFSZSA-N 2 1 226.364 1.080 10 0 BDAEMP COc1ccsc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398333545 488096063 /nfs/dbraw/zinc/09/60/63/488096063.db2.gz ANXVCNJWHINSKI-SECBINFHSA-N 2 1 226.345 1.456 10 0 BDAEMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000389517734 488099218 /nfs/dbraw/zinc/09/92/18/488099218.db2.gz GICPTFAOQLQQNW-OLZOCXBDSA-N 2 1 225.380 1.202 10 0 BDAEMP CCCN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000389517734 488099222 /nfs/dbraw/zinc/09/92/22/488099222.db2.gz GICPTFAOQLQQNW-OLZOCXBDSA-N 2 1 225.380 1.202 10 0 BDAEMP CC(C)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389902641 488124102 /nfs/dbraw/zinc/12/41/02/488124102.db2.gz FBEPBYRKSBOKBF-UPJWGTAASA-N 2 1 210.365 1.962 10 0 BDAEMP C[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)[C@@H]1C[NH3+] ZINC000085432235 488171431 /nfs/dbraw/zinc/17/14/31/488171431.db2.gz YMNFTKFQBOYRKO-WDEREUQCSA-N 2 1 249.362 1.106 10 0 BDAEMP c1ccc2c(c1)C[C@@H]2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090978322 491130335 /nfs/dbraw/zinc/13/03/35/491130335.db2.gz GUXLWIUWISZRMI-MCIONIFRSA-N 2 1 228.339 1.478 10 0 BDAEMP C1CC1[NH+]1CCC2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757146004 582529239 /nfs/dbraw/zinc/52/92/39/582529239.db2.gz QXGVDSWIMIUKLA-UHFFFAOYSA-N 2 1 222.332 1.341 10 0 BDAEMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CCOCC3)[C@@H]2C1 ZINC000181161249 536464079 /nfs/dbraw/zinc/46/40/79/536464079.db2.gz PFGGGBODGHDURF-ZIAGYGMSSA-N 2 1 238.375 1.439 10 0 BDAEMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CCOCC3)[C@@H]2C1 ZINC000181161249 536464081 /nfs/dbraw/zinc/46/40/81/536464081.db2.gz PFGGGBODGHDURF-ZIAGYGMSSA-N 2 1 238.375 1.439 10 0 BDAEMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CCOCC3)[C@@H]2C1 ZINC000181161249 536464084 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MXFNYIXEAQFTPJ-IHRRRGAJSA-N 2 1 240.391 1.421 10 0 BDAEMP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000708341874 712189522 /nfs/dbraw/zinc/18/95/22/712189522.db2.gz WQFCQIBGJGPOQZ-RVMXOQNASA-N 2 1 238.375 1.471 10 0 BDAEMP COCC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000713953798 712474697 /nfs/dbraw/zinc/47/46/97/712474697.db2.gz UEOMFPSNMQZPPT-ZRRUAHMRSA-N 2 1 238.375 1.626 10 0 BDAEMP FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000713987094 712476566 /nfs/dbraw/zinc/47/65/66/712476566.db2.gz GZAZJEUUJIQFJE-ZJUUUORDSA-N 2 1 218.291 1.763 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918029 712786850 /nfs/dbraw/zinc/78/68/50/712786850.db2.gz WKONPCWSXLHUSO-IHRRRGAJSA-N 2 1 238.375 1.629 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)nn1 ZINC000720578100 712853894 /nfs/dbraw/zinc/85/38/94/712853894.db2.gz BBDBBEMROFIVSI-UBHSHLNASA-N 2 1 246.358 1.263 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CCNc1cc[nH+]c(N(C)C)n1 ZINC000721032848 712887911 /nfs/dbraw/zinc/88/79/11/712887911.db2.gz YEHASQZIYWYMAL-GHMZBOCLSA-N 2 1 249.362 1.200 10 0 BDAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955130 538900368 /nfs/dbraw/zinc/90/03/68/538900368.db2.gz UFHMYLPCBFVKRD-RNJOBUHISA-N 2 1 226.364 1.754 10 0 BDAEMP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CCC(=O)CC2 ZINC000685955411 538901433 /nfs/dbraw/zinc/90/14/33/538901433.db2.gz ZDFKLCUNXHOMCM-NSHDSACASA-N 2 1 210.321 1.310 10 0 BDAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C12CCC(=O)CC2 ZINC000685955411 538901434 /nfs/dbraw/zinc/90/14/34/538901434.db2.gz ZDFKLCUNXHOMCM-NSHDSACASA-N 2 1 210.321 1.310 10 0 BDAEMP COc1cc(F)cc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965407 538911742 /nfs/dbraw/zinc/91/17/42/538911742.db2.gz CNGIMDZQZDIPOE-NEPJUHHUSA-N 2 1 224.279 1.239 10 0 BDAEMP Cc1cc(F)ccc1[C@H]1C[NH2+]C[C@]1(C)[NH3+] ZINC000685965376 538911833 /nfs/dbraw/zinc/91/18/33/538911833.db2.gz BTSFVHGSEUQMQC-NEPJUHHUSA-N 2 1 208.280 1.538 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000685965421 538911934 /nfs/dbraw/zinc/91/19/34/538911934.db2.gz CWYYCDSGKSLAQA-QWRGUYRKSA-N 2 1 210.708 1.744 10 0 BDAEMP COc1cc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])ccc1C ZINC000685965766 538912196 /nfs/dbraw/zinc/91/21/96/538912196.db2.gz RWCHAXDFIHVMBG-WCQYABFASA-N 2 1 220.316 1.408 10 0 BDAEMP COc1cc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])ccc1C ZINC000685965764 538912429 /nfs/dbraw/zinc/91/24/29/538912429.db2.gz RWCHAXDFIHVMBG-AAEUAGOBSA-N 2 1 220.316 1.408 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685965818 538912590 /nfs/dbraw/zinc/91/25/90/538912590.db2.gz UTEJZFGBFHCLAU-NEPJUHHUSA-N 2 1 206.289 1.099 10 0 BDAEMP CCC(CC)(C[NH3+])C[NH+]1CCN(C2CC2)CC1 ZINC000051285133 168323358 /nfs/dbraw/zinc/32/33/58/168323358.db2.gz MICKNTKLVLPKIA-UHFFFAOYSA-N 2 1 239.407 1.532 10 0 BDAEMP CCc1nn(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000386661510 398214140 /nfs/dbraw/zinc/21/41/40/398214140.db2.gz VNJVALSIMWVNCQ-DRZSPHRISA-N 2 1 248.374 1.152 10 0 BDAEMP C[NH2+]C[C@H](C)[N@@H+]1CCSCC[C@@H]1C ZINC000306641084 361749281 /nfs/dbraw/zinc/74/92/81/361749281.db2.gz PZYYIHMONDYMBE-UWVGGRQHSA-N 2 1 202.367 1.422 10 0 BDAEMP C[NH2+]C[C@H](C)[N@H+]1CCSCC[C@@H]1C ZINC000306641084 361749284 /nfs/dbraw/zinc/74/92/84/361749284.db2.gz PZYYIHMONDYMBE-UWVGGRQHSA-N 2 1 202.367 1.422 10 0 BDAEMP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2C)C1 ZINC000166100268 538938585 /nfs/dbraw/zinc/93/85/85/538938585.db2.gz SVDHWTCPGSDEME-LBPRGKRZSA-N 2 1 235.331 1.523 10 0 BDAEMP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2C)C1 ZINC000166100268 538938587 /nfs/dbraw/zinc/93/85/87/538938587.db2.gz SVDHWTCPGSDEME-LBPRGKRZSA-N 2 1 235.331 1.523 10 0 BDAEMP CCC(CC)[N@H+](CCOC)C[C@@H](C)[NH2+]C ZINC000044472541 168374625 /nfs/dbraw/zinc/37/46/25/168374625.db2.gz KCIAYPBJIAUTRK-LLVKDONJSA-N 2 1 216.369 1.731 10 0 BDAEMP CCC(CC)[N@@H+](CCOC)C[C@@H](C)[NH2+]C ZINC000044472541 168374627 /nfs/dbraw/zinc/37/46/27/168374627.db2.gz KCIAYPBJIAUTRK-LLVKDONJSA-N 2 1 216.369 1.731 10 0 BDAEMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCCCC1(F)F ZINC000381724254 398270135 /nfs/dbraw/zinc/27/01/35/398270135.db2.gz RYIHNJBEZGSRDP-NXEZZACHSA-N 2 1 236.306 1.063 10 0 BDAEMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCCC1(F)F ZINC000381724256 398270251 /nfs/dbraw/zinc/27/02/51/398270251.db2.gz RYIHNJBEZGSRDP-VHSXEESVSA-N 2 1 236.306 1.063 10 0 BDAEMP CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)c2)C1 ZINC000381318019 538998291 /nfs/dbraw/zinc/99/82/91/538998291.db2.gz NUAMATFJSQPEQE-MFKMUULPSA-N 2 1 219.332 1.564 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@H]2[NH3+])cc1C ZINC000211542734 539022272 /nfs/dbraw/zinc/02/22/72/539022272.db2.gz GHVSKSGHKHMVCT-WDEREUQCSA-N 2 1 206.289 1.018 10 0 BDAEMP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000390511497 539022491 /nfs/dbraw/zinc/02/24/91/539022491.db2.gz ZRGZWEWTCXAPLN-IJLUTSLNSA-N 2 1 219.332 1.976 10 0 BDAEMP C(C[N@H+]1CCCSCC1)[C@H]1CCC[NH2+]1 ZINC000042444898 361999635 /nfs/dbraw/zinc/99/96/35/361999635.db2.gz OKXNHIXMGLUKDZ-LLVKDONJSA-N 2 1 214.378 1.567 10 0 BDAEMP C[C@@H]([NH3+])[C@H](C)C[N@H+]1CCCSCC1 ZINC000165075017 342873959 /nfs/dbraw/zinc/87/39/59/342873959.db2.gz SXFQBZGVQPHRCJ-NXEZZACHSA-N 2 1 202.367 1.409 10 0 BDAEMP Cc1nc(NC[C@H]2CCC[NH2+]C2)c(C)c(C)[nH+]1 ZINC000045954994 343012558 /nfs/dbraw/zinc/01/25/58/343012558.db2.gz AXDUBAZSXMTIRK-LBPRGKRZSA-N 2 1 234.347 1.813 10 0 BDAEMP C[C@H]([NH3+])c1ccc(CN2CCC[N@@H+](C)CC2)cc1 ZINC000142068608 343104559 /nfs/dbraw/zinc/10/45/59/343104559.db2.gz YQOCTHNBMMCAGF-ZDUSSCGKSA-N 2 1 247.386 1.844 10 0 BDAEMP C[C@H]([NH3+])c1ccc(C[N@@H+]2CCCN(C)CC2)cc1 ZINC000142068608 343104560 /nfs/dbraw/zinc/10/45/60/343104560.db2.gz YQOCTHNBMMCAGF-ZDUSSCGKSA-N 2 1 247.386 1.844 10 0 BDAEMP C[C@H]([NH3+])c1ccc(C[N@H+]2CCCN(C)CC2)cc1 ZINC000142068608 343104561 /nfs/dbraw/zinc/10/45/61/343104561.db2.gz YQOCTHNBMMCAGF-ZDUSSCGKSA-N 2 1 247.386 1.844 10 0 BDAEMP CCc1nc(NC[C@H](C)C[NH3+])cc(C)[nH+]1 ZINC000308910617 346939839 /nfs/dbraw/zinc/93/98/39/346939839.db2.gz GHRLVAAFWVHOPV-MRVPVSSYSA-N 2 1 208.309 1.354 10 0 BDAEMP [NH3+]CCC[N@H+]1CCOC[C@@H]2CCCC[C@@H]21 ZINC000409427743 343801449 /nfs/dbraw/zinc/80/14/49/343801449.db2.gz FHHZJQYYWHYNNN-RYUDHWBXSA-N 2 1 212.337 1.226 10 0 BDAEMP CC(C)(C)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000409424875 343817736 /nfs/dbraw/zinc/81/77/36/343817736.db2.gz ZFOOXYIODGZOBT-SNVBAGLBSA-N 2 1 212.337 1.272 10 0 BDAEMP CC(C)(C)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000409424875 343817737 /nfs/dbraw/zinc/81/77/37/343817737.db2.gz ZFOOXYIODGZOBT-SNVBAGLBSA-N 2 1 212.337 1.272 10 0 BDAEMP COC[C@@]12C[N@H+](CC[NH3+])C[C@H]1CCCC2 ZINC000409428586 343804068 /nfs/dbraw/zinc/80/40/68/343804068.db2.gz GSMRAJKGWCETMD-VXGBXAGGSA-N 2 1 212.337 1.084 10 0 BDAEMP COC[C@@]12C[N@@H+](CC[NH3+])C[C@H]1CCCC2 ZINC000409428586 343804070 /nfs/dbraw/zinc/80/40/70/343804070.db2.gz GSMRAJKGWCETMD-VXGBXAGGSA-N 2 1 212.337 1.084 10 0 BDAEMP CC(C)C[C@@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1O ZINC000409435539 343833901 /nfs/dbraw/zinc/83/39/01/343833901.db2.gz VIWHNHDQQDTRCI-NEPJUHHUSA-N 2 1 214.353 1.064 10 0 BDAEMP OC[C@@]12C[N@H+](C3CC[NH2+]CC3)C[C@@H]1CCCC2 ZINC000409435591 343834396 /nfs/dbraw/zinc/83/43/96/343834396.db2.gz VOUUQZXGPPCBRE-GXTWGEPZSA-N 2 1 238.375 1.223 10 0 BDAEMP CS[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000235234643 343872555 /nfs/dbraw/zinc/87/25/55/343872555.db2.gz NRLRLLWGAAQXOK-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 ZINC000235234643 343872556 /nfs/dbraw/zinc/87/25/56/343872556.db2.gz NRLRLLWGAAQXOK-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP CC(C)(C[NH3+])[N@@H+]1CCSC(C)(C)C1 ZINC000135210222 343967518 /nfs/dbraw/zinc/96/75/18/343967518.db2.gz UTVNRVAGPUCBIZ-UHFFFAOYSA-N 2 1 202.367 1.551 10 0 BDAEMP CC(C)(C[NH3+])[N@H+]1CCSC(C)(C)C1 ZINC000135210222 343967521 /nfs/dbraw/zinc/96/75/21/343967521.db2.gz UTVNRVAGPUCBIZ-UHFFFAOYSA-N 2 1 202.367 1.551 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CS1 ZINC000227512526 344473528 /nfs/dbraw/zinc/47/35/28/344473528.db2.gz ROHVGCQXGVDKDA-ZRUFSTJUSA-N 2 1 214.378 1.550 10 0 BDAEMP OCC[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000381538962 344517631 /nfs/dbraw/zinc/51/76/31/344517631.db2.gz GWLQSPUBAXJOMJ-UHFFFAOYSA-N 2 1 240.372 1.294 10 0 BDAEMP [NH3+]C[C@@]1([NH2+]C2CC2)CCc2ccccc2C1 ZINC000050271341 344665101 /nfs/dbraw/zinc/66/51/01/344665101.db2.gz FHWBQYAXLGLHDT-CQSZACIVSA-N 2 1 216.328 1.625 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1C[NH3+] ZINC000634998700 345198526 /nfs/dbraw/zinc/19/85/26/345198526.db2.gz JLRFVPFQGOQZHN-UWVGGRQHSA-N 2 1 210.346 1.775 10 0 BDAEMP CC(C)n1nccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999028 345199646 /nfs/dbraw/zinc/19/96/46/345199646.db2.gz PAVGVVYSIXBKHN-RYUDHWBXSA-N 2 1 236.363 1.491 10 0 BDAEMP CC(C)n1nccc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999028 345199649 /nfs/dbraw/zinc/19/96/49/345199649.db2.gz PAVGVVYSIXBKHN-RYUDHWBXSA-N 2 1 236.363 1.491 10 0 BDAEMP CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C[NH3+] ZINC000227728865 345355011 /nfs/dbraw/zinc/35/50/11/345355011.db2.gz RHRZYVGYHZTHSN-ZJUUUORDSA-N 2 1 245.367 1.227 10 0 BDAEMP C[C@@]([NH3+])(CN)COc1ccc(F)c(F)c1 ZINC000219121854 345856855 /nfs/dbraw/zinc/85/68/55/345856855.db2.gz NIIVYAVIRMPYLZ-SNVBAGLBSA-N 2 1 216.231 1.020 10 0 BDAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000074174593 537915515 /nfs/dbraw/zinc/91/55/15/537915515.db2.gz FALAUYKCTAIKNT-NWDGAFQWSA-N 2 1 208.280 1.920 10 0 BDAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000074174593 537915519 /nfs/dbraw/zinc/91/55/19/537915519.db2.gz FALAUYKCTAIKNT-NWDGAFQWSA-N 2 1 208.280 1.920 10 0 BDAEMP CO[C@@H](C)C[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000167633671 346293311 /nfs/dbraw/zinc/29/33/11/346293311.db2.gz HDPXMEDBKBLORQ-JTQLQIEISA-N 2 1 200.326 1.095 10 0 BDAEMP C[C@H]1CCCC[N@H+]1Cc1cncc(C[NH3+])c1 ZINC000669378988 537973673 /nfs/dbraw/zinc/97/36/73/537973673.db2.gz RNLWHPKACLZYHY-NSHDSACASA-N 2 1 219.332 1.915 10 0 BDAEMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000051576609 179082643 /nfs/dbraw/zinc/08/26/43/179082643.db2.gz NNIPQDNDOSZGLB-MFKMUULPSA-N 2 1 219.332 1.559 10 0 BDAEMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000051576609 179082646 /nfs/dbraw/zinc/08/26/46/179082646.db2.gz NNIPQDNDOSZGLB-MFKMUULPSA-N 2 1 219.332 1.559 10 0 BDAEMP C[C@H]1C[N@H+](C2CCC([NH3+])CC2)CCS1 ZINC000164153749 346593240 /nfs/dbraw/zinc/59/32/40/346593240.db2.gz RBVXWWMPHNKAGK-WHXUTIOJSA-N 2 1 214.378 1.694 10 0 BDAEMP CN(C)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250346307 362799679 /nfs/dbraw/zinc/79/96/79/362799679.db2.gz GNTBONZGZOSQPQ-OLZOCXBDSA-N 2 1 225.380 1.012 10 0 BDAEMP C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250428997 362803993 /nfs/dbraw/zinc/80/39/93/362803993.db2.gz QRZPYRYCLKTNFE-STQMWFEESA-N 2 1 226.364 1.629 10 0 BDAEMP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000188158554 347274327 /nfs/dbraw/zinc/27/43/27/347274327.db2.gz SSRVKGLYBUDOQS-UONOGXRCSA-N 2 1 242.407 1.979 10 0 BDAEMP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000188158554 347274332 /nfs/dbraw/zinc/27/43/32/347274332.db2.gz SSRVKGLYBUDOQS-UONOGXRCSA-N 2 1 242.407 1.979 10 0 BDAEMP COC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCCC1 ZINC000396634479 362826895 /nfs/dbraw/zinc/82/68/95/362826895.db2.gz ZAZKAIDGFQMLIV-NWDGAFQWSA-N 2 1 226.364 1.676 10 0 BDAEMP Cc1c[nH+]ccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000192628630 347379348 /nfs/dbraw/zinc/37/93/48/347379348.db2.gz WWQLYAYYKRAPGV-ZDUSSCGKSA-N 2 1 247.342 1.301 10 0 BDAEMP C[C@@H](CN[C@@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000390644068 259396407 /nfs/dbraw/zinc/39/64/07/259396407.db2.gz LSBYSHRGHQETBZ-DZGCQCFKSA-N 2 1 247.386 1.458 10 0 BDAEMP C[C@H]1CC[N@H+](C2CCSCC2)C[C@H]1[NH3+] ZINC000251768217 362909415 /nfs/dbraw/zinc/90/94/15/362909415.db2.gz UXDFSWBYLJGFOP-GXSJLCMTSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@H]([NH3+])CCNc1[nH+]cnc2[nH]ccc21 ZINC000420153714 192164570 /nfs/dbraw/zinc/16/45/70/192164570.db2.gz HFMSCWMWYQVPAB-ZETCQYMHSA-N 2 1 205.265 1.059 10 0 BDAEMP Cc1cccc(C[C@@H]2C[N@@H+](C)CC[C@@H]2[NH3+])c1 ZINC000036352046 350172491 /nfs/dbraw/zinc/17/24/91/350172491.db2.gz PJBGXUDMHIMCNH-KGLIPLIRSA-N 2 1 218.344 1.817 10 0 BDAEMP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000420189333 192172614 /nfs/dbraw/zinc/17/26/14/192172614.db2.gz DLQSMVQLVNXJLJ-ONGXEEELSA-N 2 1 245.330 1.887 10 0 BDAEMP Cc1[nH+]ccn1CCN1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000104159232 180256786 /nfs/dbraw/zinc/25/67/86/180256786.db2.gz AVSFVSXBAUYPKX-WCQYABFASA-N 2 1 236.363 1.393 10 0 BDAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000252223111 538086512 /nfs/dbraw/zinc/08/65/12/538086512.db2.gz ZOMKCXCEZQCAII-XQHKEYJVSA-N 2 1 226.364 1.613 10 0 BDAEMP Cc1[nH+]ccn1Cc1ccc(C(N)=[NH2+])cc1F ZINC000019516338 180270130 /nfs/dbraw/zinc/27/01/30/180270130.db2.gz CLARFKVWIRQNMK-UHFFFAOYSA-N 2 1 232.262 1.663 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1cccs1 ZINC000043107015 180271806 /nfs/dbraw/zinc/27/18/06/180271806.db2.gz GTBPPOFBUWIDLH-VIFPVBQESA-N 2 1 207.302 1.801 10 0 BDAEMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCCSC2)C1 ZINC000306730750 350900050 /nfs/dbraw/zinc/90/00/50/350900050.db2.gz PUINPPUZGHJFPV-NXEZZACHSA-N 2 1 200.351 1.163 10 0 BDAEMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCSC2)C1 ZINC000306730750 350900054 /nfs/dbraw/zinc/90/00/54/350900054.db2.gz PUINPPUZGHJFPV-NXEZZACHSA-N 2 1 200.351 1.163 10 0 BDAEMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000250454026 350881161 /nfs/dbraw/zinc/88/11/61/350881161.db2.gz WDEVTXFLMOBNIE-UWVGGRQHSA-N 2 1 200.351 1.033 10 0 BDAEMP [NH3+]CC1([NH+]2CCCCCC2)CSC1 ZINC000306858968 351181959 /nfs/dbraw/zinc/18/19/59/351181959.db2.gz BJQIEZSVFVRBKU-UHFFFAOYSA-N 2 1 200.351 1.307 10 0 BDAEMP C[C@@H]1C[C@H](C)[N@@H+](C2(CN)CSC2)C1 ZINC000306979236 351397306 /nfs/dbraw/zinc/39/73/06/351397306.db2.gz FMADTRUWCGLECW-BDAKNGLRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@H](C)[N@@H+](C2(C[NH3+])CSC2)C1 ZINC000306979236 351397310 /nfs/dbraw/zinc/39/73/10/351397310.db2.gz FMADTRUWCGLECW-BDAKNGLRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@H](C)[N@H+](C2(C[NH3+])CSC2)C1 ZINC000306979236 351397313 /nfs/dbraw/zinc/39/73/13/351397313.db2.gz FMADTRUWCGLECW-BDAKNGLRSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000034958053 351364661 /nfs/dbraw/zinc/36/46/61/351364661.db2.gz QTVBTQPQRIRMOY-CABCVRRESA-N 2 1 248.370 1.872 10 0 BDAEMP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000034958053 351364666 /nfs/dbraw/zinc/36/46/66/351364666.db2.gz QTVBTQPQRIRMOY-CABCVRRESA-N 2 1 248.370 1.872 10 0 BDAEMP COc1cc(OC)cc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000725268153 538100249 /nfs/dbraw/zinc/10/02/49/538100249.db2.gz FIHJVGPIOGDBOE-OLZOCXBDSA-N 2 1 236.315 1.108 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000306984571 351407527 /nfs/dbraw/zinc/40/75/27/351407527.db2.gz MGJCPNLGTCBMTR-MRVPVSSYSA-N 2 1 204.195 1.453 10 0 BDAEMP CC1(C)SC[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 ZINC000307168861 351542450 /nfs/dbraw/zinc/54/24/50/351542450.db2.gz WFLZNZDRCXMQCV-RKDXNWHRSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[C@@H]1CC[N@H+](CCF)C[C@@H](C)C[NH2+]1 ZINC000307190235 351591874 /nfs/dbraw/zinc/59/18/74/351591874.db2.gz WVPRISIHRZBUHF-WDEREUQCSA-N 2 1 202.317 1.666 10 0 BDAEMP CC[C@@H]1CC[N@@H+](CCF)C[C@@H](C)C[NH2+]1 ZINC000307190235 351591889 /nfs/dbraw/zinc/59/18/89/351591889.db2.gz WVPRISIHRZBUHF-WDEREUQCSA-N 2 1 202.317 1.666 10 0 BDAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCSC2)C[NH2+]1 ZINC000307190985 351592501 /nfs/dbraw/zinc/59/25/01/351592501.db2.gz AEGZRYVVCSJTFX-UTLUCORTSA-N 2 1 200.351 1.222 10 0 BDAEMP CS[C@@H]1CC[N@@H+](C[C@H]2C=C[C@@H]([NH3+])C2)C1 ZINC000307254134 351789188 /nfs/dbraw/zinc/78/91/88/351789188.db2.gz WYTSJXAOXYVPJW-HBNTYKKESA-N 2 1 212.362 1.327 10 0 BDAEMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CSC1 ZINC000307296363 351905742 /nfs/dbraw/zinc/90/57/42/351905742.db2.gz QSAJMHOYONZMBX-PSASIEDQSA-N 2 1 200.351 1.032 10 0 BDAEMP CC(C)CC1([NH+]2CCOCC2)CC[NH2+]CC1 ZINC000536953941 538102250 /nfs/dbraw/zinc/10/22/50/538102250.db2.gz KHSKOFDXSNHROB-UHFFFAOYSA-N 2 1 226.364 1.487 10 0 BDAEMP CC[C@H]1C[N@@H+](C(C)(C)C[NH3+])CCCO1 ZINC000300911690 363120761 /nfs/dbraw/zinc/12/07/61/363120761.db2.gz OXSCIPBGPUHBES-JTQLQIEISA-N 2 1 200.326 1.225 10 0 BDAEMP CC[C@H]1C[N@H+](C(C)(C)C[NH3+])CCCO1 ZINC000300911690 363120767 /nfs/dbraw/zinc/12/07/67/363120767.db2.gz OXSCIPBGPUHBES-JTQLQIEISA-N 2 1 200.326 1.225 10 0 BDAEMP CC[C@@H]1C[N@@H+]([C@@H](C)[C@H](C)[NH3+])CCCO1 ZINC000300911714 363120839 /nfs/dbraw/zinc/12/08/39/363120839.db2.gz OYFZTHZLWJZPHB-GARJFASQSA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@@H]1C[N@H+]([C@@H](C)[C@H](C)[NH3+])CCCO1 ZINC000300911714 363120844 /nfs/dbraw/zinc/12/08/44/363120844.db2.gz OYFZTHZLWJZPHB-GARJFASQSA-N 2 1 200.326 1.223 10 0 BDAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)[C@H](C)C(C)(C)C ZINC000725272584 538104502 /nfs/dbraw/zinc/10/45/02/538104502.db2.gz QJLXOGWTYUWCLY-JTQLQIEISA-N 2 1 239.363 1.519 10 0 BDAEMP C[C@H]1CC[N@H+](C2CSC2)C[C@H]1C[NH3+] ZINC000307552755 352648059 /nfs/dbraw/zinc/64/80/59/352648059.db2.gz CVLRKPDVOFCODL-DTWKUNHWSA-N 2 1 200.351 1.019 10 0 BDAEMP CNC(=[NH2+])N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000307599314 352666537 /nfs/dbraw/zinc/66/65/37/352666537.db2.gz QVTLTHRQIQCQDP-LBPRGKRZSA-N 2 1 246.358 1.347 10 0 BDAEMP CNC(=[NH2+])N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000307599314 352666539 /nfs/dbraw/zinc/66/65/39/352666539.db2.gz QVTLTHRQIQCQDP-LBPRGKRZSA-N 2 1 246.358 1.347 10 0 BDAEMP CC(C)[C@H]([NH3+])CCN(C)c1[nH+]cnc2[nH]ccc21 ZINC000420212757 192175961 /nfs/dbraw/zinc/17/59/61/192175961.db2.gz XZALLNUEVOXXPZ-LLVKDONJSA-N 2 1 247.346 1.768 10 0 BDAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000074174601 538105653 /nfs/dbraw/zinc/10/56/53/538105653.db2.gz OLZBJSJPWLDTHY-VXGBXAGGSA-N 2 1 208.280 1.920 10 0 BDAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000074174601 538105654 /nfs/dbraw/zinc/10/56/54/538105654.db2.gz OLZBJSJPWLDTHY-VXGBXAGGSA-N 2 1 208.280 1.920 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000307694128 352970787 /nfs/dbraw/zinc/97/07/87/352970787.db2.gz ZMHVMLMNLXACFD-GUBZILKMSA-N 2 1 200.351 1.222 10 0 BDAEMP CC(C)[N@@H+](CCCO)Cc1cccc(C[NH3+])c1 ZINC000042498806 188293697 /nfs/dbraw/zinc/29/36/97/188293697.db2.gz KUSOKLCWFRKLOQ-UHFFFAOYSA-N 2 1 236.359 1.738 10 0 BDAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](Cc2ccccn2)C1 ZINC000049666522 188299303 /nfs/dbraw/zinc/29/93/03/188299303.db2.gz OQNQGLLPACLELF-CHWSQXEVSA-N 2 1 233.359 1.902 10 0 BDAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](Cc2ccccn2)C1 ZINC000049666522 188299306 /nfs/dbraw/zinc/29/93/06/188299306.db2.gz OQNQGLLPACLELF-CHWSQXEVSA-N 2 1 233.359 1.902 10 0 BDAEMP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245400 188300855 /nfs/dbraw/zinc/30/08/55/188300855.db2.gz MAFZPBWXXHMEKU-CHWSQXEVSA-N 2 1 225.380 1.012 10 0 BDAEMP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCCOCC2)C1 ZINC000061917542 188302267 /nfs/dbraw/zinc/30/22/67/188302267.db2.gz CMYZVSWMWOXTGM-HZSPNIEDSA-N 2 1 240.391 1.861 10 0 BDAEMP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCCOCC2)C1 ZINC000061917542 188302270 /nfs/dbraw/zinc/30/22/70/188302270.db2.gz CMYZVSWMWOXTGM-HZSPNIEDSA-N 2 1 240.391 1.861 10 0 BDAEMP COc1ccc(C[C@H](C)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071169795 188305648 /nfs/dbraw/zinc/30/56/48/188305648.db2.gz OQLYXCLVXNHTOM-ZDUSSCGKSA-N 2 1 248.370 1.922 10 0 BDAEMP COc1ccc(C[C@H](C)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071169795 188305649 /nfs/dbraw/zinc/30/56/49/188305649.db2.gz OQLYXCLVXNHTOM-ZDUSSCGKSA-N 2 1 248.370 1.922 10 0 BDAEMP CC(C)C[C@@H]([NH3+])c1nc(CC[NH+](C)C)no1 ZINC000083050276 188315502 /nfs/dbraw/zinc/31/55/02/188315502.db2.gz MPUNPNZRCSMVKG-SECBINFHSA-N 2 1 226.324 1.220 10 0 BDAEMP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@H]1CCOC1 ZINC000252339129 363229038 /nfs/dbraw/zinc/22/90/38/363229038.db2.gz QTVBTQPQRIRMOY-GJZGRUSLSA-N 2 1 248.370 1.872 10 0 BDAEMP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@H]1CCOC1 ZINC000252339129 363229039 /nfs/dbraw/zinc/22/90/39/363229039.db2.gz QTVBTQPQRIRMOY-GJZGRUSLSA-N 2 1 248.370 1.872 10 0 BDAEMP C[C@H]([NH2+]Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000571669482 353490077 /nfs/dbraw/zinc/49/00/77/353490077.db2.gz OKFBTGQLRZYAPB-WDEREUQCSA-N 2 1 208.305 1.757 10 0 BDAEMP C/C(=C/Cl)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000308108325 353886759 /nfs/dbraw/zinc/88/67/59/353886759.db2.gz JBDGQWQCQWSVKV-VAJAEUGUSA-N 2 1 202.729 1.798 10 0 BDAEMP C/C(=C/Cl)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000308108325 353886761 /nfs/dbraw/zinc/88/67/61/353886761.db2.gz JBDGQWQCQWSVKV-VAJAEUGUSA-N 2 1 202.729 1.798 10 0 BDAEMP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000577946709 366124673 /nfs/dbraw/zinc/12/46/73/366124673.db2.gz FZONCHJMYRBGGE-CHWSQXEVSA-N 2 1 233.359 1.868 10 0 BDAEMP CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502073 358492788 /nfs/dbraw/zinc/49/27/88/358492788.db2.gz LNYUDHTWTDOXCO-CQSZACIVSA-N 2 1 239.407 1.545 10 0 BDAEMP C[C@]1([NH3+])CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000405780173 355272713 /nfs/dbraw/zinc/27/27/13/355272713.db2.gz HBKXUUJANMCRAC-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP NC(=[NH2+])CCCC[N@@H+](CCO)C1CCCCC1 ZINC000042508398 181186984 /nfs/dbraw/zinc/18/69/84/181186984.db2.gz RIGAAHMKRQFVEW-UHFFFAOYSA-N 2 1 241.379 1.720 10 0 BDAEMP CC1(CNc2[nH+]cnc3[nH]ccc32)CC[NH2+]CC1 ZINC000420235929 192182171 /nfs/dbraw/zinc/18/21/71/192182171.db2.gz ZHOKPDNXEJSUNZ-UHFFFAOYSA-N 2 1 245.330 1.181 10 0 BDAEMP C[C@@H]1CCC[N@@H+](Cc2c(C[NH3+])cnn2C)[C@H]1C ZINC000675056006 538477244 /nfs/dbraw/zinc/47/72/44/538477244.db2.gz HTNHSNVMARDLHZ-MNOVXSKESA-N 2 1 236.363 1.499 10 0 BDAEMP [NH3+][C@H]1C=C(CCc2ccccc2)C[NH2+]C1 ZINC000675078181 538515195 /nfs/dbraw/zinc/51/51/95/538515195.db2.gz NABRMJPPRVYESH-ZDUSSCGKSA-N 2 1 202.301 1.476 10 0 BDAEMP CC(C)C[NH2+]CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000126547604 538534221 /nfs/dbraw/zinc/53/42/21/538534221.db2.gz KSXYGKJTVDIEND-STQMWFEESA-N 2 1 210.365 1.964 10 0 BDAEMP Cn1cncc1[C@H]1[C@H](C[NH3+])CCC[N@@H+]1C1CC1 ZINC000090166649 538591599 /nfs/dbraw/zinc/59/15/99/538591599.db2.gz ZOZIDWDWOURKED-GXFFZTMASA-N 2 1 234.347 1.294 10 0 BDAEMP Cn1cncc1[C@H]1[C@H](C[NH3+])CCC[N@H+]1C1CC1 ZINC000090166649 538591609 /nfs/dbraw/zinc/59/16/09/538591609.db2.gz ZOZIDWDWOURKED-GXFFZTMASA-N 2 1 234.347 1.294 10 0 BDAEMP CCc1nc(N[C@@H]2C[NH2+]CC[C@@H]2C)cc(C)[nH+]1 ZINC000389719870 357019357 /nfs/dbraw/zinc/01/93/57/357019357.db2.gz DSOZMBBECTXUQE-GXSJLCMTSA-N 2 1 234.347 1.179 10 0 BDAEMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000389925275 357068711 /nfs/dbraw/zinc/06/87/11/357068711.db2.gz VQJLQXDJIMSPJY-HIFRSBDPSA-N 2 1 248.370 1.791 10 0 BDAEMP Cc1cnccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000395370558 357434559 /nfs/dbraw/zinc/43/45/59/357434559.db2.gz NCWVXOFGCYPKQQ-AWEZNQCLSA-N 2 1 233.359 1.964 10 0 BDAEMP C[C@]1(O)CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000230379320 357532316 /nfs/dbraw/zinc/53/23/16/357532316.db2.gz UFNIUXWFBLWGQR-AWEZNQCLSA-N 2 1 240.391 1.709 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000685945939 538887617 /nfs/dbraw/zinc/88/76/17/538887617.db2.gz HEHHXEAMXBKUSZ-NWDGAFQWSA-N 2 1 208.280 1.620 10 0 BDAEMP CCOc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])cc1 ZINC000685948587 538891279 /nfs/dbraw/zinc/89/12/79/538891279.db2.gz QRAFEXXOVXNDQE-OLZOCXBDSA-N 2 1 220.316 1.490 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCCSCC1 ZINC000685950547 538893782 /nfs/dbraw/zinc/89/37/82/538893782.db2.gz BARYPZGQTZXZRA-GDNZZTSVSA-N 2 1 228.405 1.669 10 0 BDAEMP C[C@@H]1CCC[N@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685950934 538894833 /nfs/dbraw/zinc/89/48/33/538894833.db2.gz IPOPEUXOCIBEIZ-IJLUTSLNSA-N 2 1 210.365 1.962 10 0 BDAEMP CC(C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174901667 134285375 /nfs/dbraw/zinc/28/53/75/134285375.db2.gz LUZHROZQPZRNBG-AWEZNQCLSA-N 2 1 239.407 1.497 10 0 BDAEMP C/C(=C\Cl)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000300401150 358989282 /nfs/dbraw/zinc/98/92/82/358989282.db2.gz NLTXUQSGVBPLME-ZQMPTTJKSA-N 2 1 202.729 1.941 10 0 BDAEMP C/C(=C\Cl)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000300401150 358989286 /nfs/dbraw/zinc/98/92/86/358989286.db2.gz NLTXUQSGVBPLME-ZQMPTTJKSA-N 2 1 202.729 1.941 10 0 BDAEMP C[C@@H]([NH3+])[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000306312508 359593023 /nfs/dbraw/zinc/59/30/23/359593023.db2.gz KUOLXSMOGGCWLM-BDAKNGLRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]([NH3+])[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000306312508 359593027 /nfs/dbraw/zinc/59/30/27/359593027.db2.gz KUOLXSMOGGCWLM-BDAKNGLRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]1(O)C1C[NH2+]C1 ZINC000306398795 359766044 /nfs/dbraw/zinc/76/60/44/359766044.db2.gz MOJSAPUHJFRHIC-IUODEOHRSA-N 2 1 246.354 1.231 10 0 BDAEMP C[C@@H]1CSCC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] ZINC000069761382 360422308 /nfs/dbraw/zinc/42/23/08/360422308.db2.gz SUUHZDOTUQJRND-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] ZINC000069761382 360422311 /nfs/dbraw/zinc/42/23/11/360422311.db2.gz SUUHZDOTUQJRND-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000379723341 361359777 /nfs/dbraw/zinc/35/97/77/361359777.db2.gz NHWIOYURZJFRKO-JHJVBQTASA-N 2 1 240.391 1.610 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000379723341 361359784 /nfs/dbraw/zinc/35/97/84/361359784.db2.gz NHWIOYURZJFRKO-JHJVBQTASA-N 2 1 240.391 1.610 10 0 BDAEMP CCCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630355354 364077433 /nfs/dbraw/zinc/07/74/33/364077433.db2.gz GWZTWIUZAFNFIZ-RYUDHWBXSA-N 2 1 214.353 1.615 10 0 BDAEMP CO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)[C@](C)(C[NH3+])C1 ZINC000630370337 364087305 /nfs/dbraw/zinc/08/73/05/364087305.db2.gz ZGPPRPCOVIKDLK-RHYQMDGZSA-N 2 1 212.337 1.081 10 0 BDAEMP CC[C@@H]([NH2+]C1CCC(C)(C[NH3+])CC1)C(=O)OC ZINC000725262672 541335836 /nfs/dbraw/zinc/33/58/36/541335836.db2.gz APLNCWBSIHIODF-QWKFWESOSA-N 2 1 242.363 1.435 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000051254851 181358959 /nfs/dbraw/zinc/35/89/59/181358959.db2.gz URVZWCHTNOMSML-LBPRGKRZSA-N 2 1 226.364 1.352 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCCOCC2)CCCCC1 ZINC000061934570 181358875 /nfs/dbraw/zinc/35/88/75/181358875.db2.gz AGBNULPAFFNDCZ-UHFFFAOYSA-N 2 1 226.364 1.618 10 0 BDAEMP C[C@H]1CN(c2cc[nH+]cc2Cl)C[C@@H]1C[NH3+] ZINC000630572299 364268702 /nfs/dbraw/zinc/26/87/02/364268702.db2.gz QXXGZNOFFAWRHK-IUCAKERBSA-N 2 1 225.723 1.766 10 0 BDAEMP [NH3+]CCCC[NH2+]CCCNCc1ccccc1 ZINC000027189797 181377475 /nfs/dbraw/zinc/37/74/75/181377475.db2.gz NAPQCIUQGHGKEU-UHFFFAOYSA-N 2 1 235.375 1.495 10 0 BDAEMP [NH3+]CCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000008777756 181379634 /nfs/dbraw/zinc/37/96/34/181379634.db2.gz JNBFJFVKSAWOFC-CYBMUJFWSA-N 2 1 219.332 1.957 10 0 BDAEMP [NH3+]CCCNC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000022130264 181383558 /nfs/dbraw/zinc/38/35/58/181383558.db2.gz NQHIUYWZQHNXMV-CHWSQXEVSA-N 2 1 225.380 1.189 10 0 BDAEMP [NH3+]CCC[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000022130264 181383560 /nfs/dbraw/zinc/38/35/60/181383560.db2.gz NQHIUYWZQHNXMV-CHWSQXEVSA-N 3 1 225.380 1.189 10 0 BDAEMP [NH3+]CCC[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000022130264 181383561 /nfs/dbraw/zinc/38/35/61/181383561.db2.gz NQHIUYWZQHNXMV-CHWSQXEVSA-N 3 1 225.380 1.189 10 0 BDAEMP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000581005731 367231358 /nfs/dbraw/zinc/23/13/58/367231358.db2.gz DWBFIUFFKWRDOI-RWMBFGLXSA-N 2 1 239.407 1.447 10 0 BDAEMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000581005731 367231365 /nfs/dbraw/zinc/23/13/65/367231365.db2.gz DWBFIUFFKWRDOI-RWMBFGLXSA-N 2 1 239.407 1.447 10 0 BDAEMP Cc1ccncc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836834 369084250 /nfs/dbraw/zinc/08/42/50/369084250.db2.gz HQZXUEVWTXVJOM-NEPJUHHUSA-N 2 1 219.332 1.417 10 0 BDAEMP Cc1ncccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836860 369084774 /nfs/dbraw/zinc/08/47/74/369084774.db2.gz IEIRHZDMSFJHSE-GWCFXTLKSA-N 2 1 219.332 1.417 10 0 BDAEMP C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838150 369118898 /nfs/dbraw/zinc/11/88/98/369118898.db2.gz JOGYLPHSCQKIFH-WOPDTQHZSA-N 2 1 219.332 1.669 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000631840464 369249693 /nfs/dbraw/zinc/24/96/93/369249693.db2.gz SPYQNDBJQUSXSG-QWRGUYRKSA-N 2 1 205.305 1.108 10 0 BDAEMP C[C@@H]1CSC(NC[C@H]2CCC[N@@H+]2C)=[NH+]1 ZINC000226117891 371610615 /nfs/dbraw/zinc/61/06/15/371610615.db2.gz VOFXVTQOBKFTKR-RKDXNWHRSA-N 2 1 213.350 1.162 10 0 BDAEMP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000226451296 371670823 /nfs/dbraw/zinc/67/08/23/371670823.db2.gz VCKQNVPDZPWMJJ-ZDUSSCGKSA-N 2 1 249.358 1.664 10 0 BDAEMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000226451296 371670827 /nfs/dbraw/zinc/67/08/27/371670827.db2.gz VCKQNVPDZPWMJJ-ZDUSSCGKSA-N 2 1 249.358 1.664 10 0 BDAEMP CSCC[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C ZINC000131553361 371623748 /nfs/dbraw/zinc/62/37/48/371623748.db2.gz VPTVSECZTVZNEK-VHSXEESVSA-N 2 1 202.367 1.422 10 0 BDAEMP [NH3+]CC[C@@H]1CCC[N@H+](C2CSC2)C1 ZINC000215779193 371629114 /nfs/dbraw/zinc/62/91/14/371629114.db2.gz IRGNDBSGHIZNKE-VIFPVBQESA-N 2 1 200.351 1.163 10 0 BDAEMP CC(C)[C@@H](CN)[N@H+]1CCCO[C@@H](C)C1 ZINC000217516923 371969621 /nfs/dbraw/zinc/96/96/21/371969621.db2.gz HCFMWMXTLAOOQE-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H](C[NH3+])N1CCCO[C@@H](C)C1 ZINC000217516923 371969630 /nfs/dbraw/zinc/96/96/30/371969630.db2.gz HCFMWMXTLAOOQE-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H](C[NH3+])[N@@H+]1CCCO[C@@H](C)C1 ZINC000217516923 371969636 /nfs/dbraw/zinc/96/96/36/371969636.db2.gz HCFMWMXTLAOOQE-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H](C[NH3+])[N@H+]1CCCO[C@@H](C)C1 ZINC000217516923 371969642 /nfs/dbraw/zinc/96/96/42/371969642.db2.gz HCFMWMXTLAOOQE-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@H]1[N@H+]1CCCSCC1 ZINC000217688073 371998214 /nfs/dbraw/zinc/99/82/14/371998214.db2.gz FRKXZCORHIIMNM-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP CSC(C)(C)C[N@H+]1CCC[NH2+]CC1 ZINC000229143468 372122442 /nfs/dbraw/zinc/12/24/42/372122442.db2.gz FLXVOFJNDAGATK-UHFFFAOYSA-N 2 1 202.367 1.423 10 0 BDAEMP C[C@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836887 372625577 /nfs/dbraw/zinc/62/55/77/372625577.db2.gz IPJVBNVXVQCSHA-JSGCOSHPSA-N 2 1 218.344 1.756 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000631841279 372639281 /nfs/dbraw/zinc/63/92/81/372639281.db2.gz IRPVMMJMQCGREZ-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000631841279 372639284 /nfs/dbraw/zinc/63/92/84/372639284.db2.gz IRPVMMJMQCGREZ-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP CCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073654173 168833322 /nfs/dbraw/zinc/83/33/22/168833322.db2.gz GLCFWIMRYMAVHS-KGLIPLIRSA-N 2 1 239.407 1.402 10 0 BDAEMP CC(C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151268395 206063227 /nfs/dbraw/zinc/06/32/27/206063227.db2.gz FJKHTWHJHKEPAO-STQMWFEESA-N 2 1 228.380 1.467 10 0 BDAEMP CCC[N@@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000037097894 169078180 /nfs/dbraw/zinc/07/81/80/169078180.db2.gz AFTOQVGPYFNGCY-UHFFFAOYSA-N 2 1 236.359 1.908 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565153 183191895 /nfs/dbraw/zinc/19/18/95/183191895.db2.gz MKOUVNVKRMHDPW-AAVRWANBSA-N 2 1 238.375 1.506 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565153 183191897 /nfs/dbraw/zinc/19/18/97/183191897.db2.gz MKOUVNVKRMHDPW-AAVRWANBSA-N 2 1 238.375 1.506 10 0 BDAEMP O[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310216262 183195961 /nfs/dbraw/zinc/19/59/61/183195961.db2.gz FENDYYISTSSVGP-BXUZGUMPSA-N 2 1 238.375 1.364 10 0 BDAEMP CCC[N@H+](CCC[NH3+])CC(=O)N(CC)C1CC1 ZINC000049292283 169155276 /nfs/dbraw/zinc/15/52/76/169155276.db2.gz VBFSIEOGDSBCDD-UHFFFAOYSA-N 2 1 241.379 1.058 10 0 BDAEMP CCC[N@@H+](CCC[NH3+])CC(=O)N(CC)C1CC1 ZINC000049292283 169155277 /nfs/dbraw/zinc/15/52/77/169155277.db2.gz VBFSIEOGDSBCDD-UHFFFAOYSA-N 2 1 241.379 1.058 10 0 BDAEMP CCC[NH2+]CC1(C[N@@H+](C)C[C@@H](C)O)CCCC1 ZINC000051840405 169257645 /nfs/dbraw/zinc/25/76/45/169257645.db2.gz YNHOCGUVPVTGCF-CYBMUJFWSA-N 2 1 242.407 1.859 10 0 BDAEMP CCCNC(=O)[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000020316054 169242455 /nfs/dbraw/zinc/24/24/55/169242455.db2.gz AJMXAJMGIDLFGU-GFCCVEGCSA-N 2 1 243.395 1.223 10 0 BDAEMP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1CC(C)(C)O ZINC000104407823 169276105 /nfs/dbraw/zinc/27/61/05/169276105.db2.gz PNEKZLJGUHRLJJ-STQMWFEESA-N 2 1 242.407 2.000 10 0 BDAEMP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1CC(C)(C)O ZINC000104407823 169276108 /nfs/dbraw/zinc/27/61/08/169276108.db2.gz PNEKZLJGUHRLJJ-STQMWFEESA-N 2 1 242.407 2.000 10 0 BDAEMP CCC[C@@H]([NH3+])[C@@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188691 169392687 /nfs/dbraw/zinc/39/26/87/169392687.db2.gz XWDGTZFHIIBRLF-MGPQQGTHSA-N 2 1 241.423 1.776 10 0 BDAEMP CCC[C@](C)(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392269 169543988 /nfs/dbraw/zinc/54/39/88/169543988.db2.gz ZXTQHJLRULVDBH-CQSZACIVSA-N 2 1 241.423 1.778 10 0 BDAEMP COC[C@H]1C[N@@H+](CCN)CC12CCCCC2 ZINC000409434821 383839021 /nfs/dbraw/zinc/83/90/21/383839021.db2.gz QTBBNUGNIOFUNP-GFCCVEGCSA-N 2 1 226.364 1.474 10 0 BDAEMP COC[C@H]1C[N@H+](CC[NH3+])CC12CCCCC2 ZINC000409434821 383839030 /nfs/dbraw/zinc/83/90/30/383839030.db2.gz QTBBNUGNIOFUNP-GFCCVEGCSA-N 2 1 226.364 1.474 10 0 BDAEMP COC[C@@H]1C[N@@H+](CCN)CC12CCCCC2 ZINC000409434822 383840633 /nfs/dbraw/zinc/84/06/33/383840633.db2.gz QTBBNUGNIOFUNP-LBPRGKRZSA-N 2 1 226.364 1.474 10 0 BDAEMP COC[C@@H]1C[N@H+](CC[NH3+])CC12CCCCC2 ZINC000409434822 383840638 /nfs/dbraw/zinc/84/06/38/383840638.db2.gz QTBBNUGNIOFUNP-LBPRGKRZSA-N 2 1 226.364 1.474 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000069796929 383845518 /nfs/dbraw/zinc/84/55/18/383845518.db2.gz IHKBPCQCLHTOOZ-NWDGAFQWSA-N 2 1 205.305 1.294 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000069796929 383845523 /nfs/dbraw/zinc/84/55/23/383845523.db2.gz IHKBPCQCLHTOOZ-NWDGAFQWSA-N 2 1 205.305 1.294 10 0 BDAEMP C[C@@]1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCCS1 ZINC000227394496 383857236 /nfs/dbraw/zinc/85/72/36/383857236.db2.gz OEUFKOFGLBMHOZ-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@]1(C[N@H+]2CC[C@@H]([NH3+])C2)CCCS1 ZINC000227394496 383857241 /nfs/dbraw/zinc/85/72/41/383857241.db2.gz OEUFKOFGLBMHOZ-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP CC[N@@H+]1CCC[C@H](C[NH2+]C)[C@@H]1c1cnn(C)c1 ZINC000070278891 383906831 /nfs/dbraw/zinc/90/68/31/383906831.db2.gz DFUPEVKUTOENMN-DGCLKSJQSA-N 2 1 236.363 1.413 10 0 BDAEMP CC[N@H+]1CCC[C@H](C[NH2+]C)[C@@H]1c1cnn(C)c1 ZINC000070278891 383906836 /nfs/dbraw/zinc/90/68/36/383906836.db2.gz DFUPEVKUTOENMN-DGCLKSJQSA-N 2 1 236.363 1.413 10 0 BDAEMP c1nc2c([nH]1)CC[C@H]([NH2+][C@@H]1CCSC1)C2 ZINC000308829964 384328025 /nfs/dbraw/zinc/32/80/25/384328025.db2.gz ADJQVXZANAYDDZ-DTWKUNHWSA-N 2 1 223.345 1.362 10 0 BDAEMP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1ccc[nH]1 ZINC000095068307 384329281 /nfs/dbraw/zinc/32/92/81/384329281.db2.gz BNGCEMOQZAFMLM-SCVCMEIPSA-N 2 1 207.321 1.935 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1ccc[nH]1 ZINC000095068306 384330890 /nfs/dbraw/zinc/33/08/90/384330890.db2.gz BNGCEMOQZAFMLM-NHCYSSNCSA-N 2 1 207.321 1.935 10 0 BDAEMP COC[C@H](C)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000368438278 384952020 /nfs/dbraw/zinc/95/20/20/384952020.db2.gz KJGDQWBJNPARKD-QWRGUYRKSA-N 2 1 223.320 1.070 10 0 BDAEMP Cc1ccsc1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000259174216 384964444 /nfs/dbraw/zinc/96/44/44/384964444.db2.gz VWJSAUKQOMGESA-JTQLQIEISA-N 2 1 210.346 1.551 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccns3)C[C@H]12 ZINC000404506807 385023608 /nfs/dbraw/zinc/02/36/08/385023608.db2.gz MUHKJPXLTMLZNC-INTQDDNPSA-N 2 1 223.345 1.312 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccns3)C[C@H]12 ZINC000404506807 385023614 /nfs/dbraw/zinc/02/36/14/385023614.db2.gz MUHKJPXLTMLZNC-INTQDDNPSA-N 2 1 223.345 1.312 10 0 BDAEMP CC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[C@@H]1[NH3+] ZINC000643033511 385535655 /nfs/dbraw/zinc/53/56/55/385535655.db2.gz ODFACMCWKKFNKL-ONGXEEELSA-N 2 1 245.330 1.522 10 0 BDAEMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@H]1CCSC1)CC2 ZINC000309594583 385717964 /nfs/dbraw/zinc/71/79/64/385717964.db2.gz HZUZXMFMUXGTHH-QWRGUYRKSA-N 2 1 237.372 1.541 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCSC1 ZINC000575588320 386307541 /nfs/dbraw/zinc/30/75/41/386307541.db2.gz AJDDXYGNDHXMGQ-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCSC1 ZINC000575588320 386307544 /nfs/dbraw/zinc/30/75/44/386307544.db2.gz AJDDXYGNDHXMGQ-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP Cc1cn[nH]c1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000335448779 386517833 /nfs/dbraw/zinc/51/78/33/386517833.db2.gz SFCYMYPXCKFZJT-NSHDSACASA-N 2 1 222.336 1.292 10 0 BDAEMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000647971015 386454359 /nfs/dbraw/zinc/45/43/59/386454359.db2.gz PFTSYZZABDSULZ-CYBMUJFWSA-N 2 1 233.359 1.652 10 0 BDAEMP COc1ccc(F)c([C@@H]([NH3+])CC[NH3+])c1F ZINC000575438080 387112870 /nfs/dbraw/zinc/11/28/70/387112870.db2.gz FNJJWTIESAJZRQ-ZETCQYMHSA-N 2 1 216.231 1.322 10 0 BDAEMP COc1cc(F)c([C@@H]([NH3+])CC[NH3+])c(F)c1 ZINC000575439926 387126446 /nfs/dbraw/zinc/12/64/46/387126446.db2.gz YBQOJQPFOGWGDH-VIFPVBQESA-N 2 1 216.231 1.322 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000575590173 387204034 /nfs/dbraw/zinc/20/40/34/387204034.db2.gz GIUXMMKZRFVOAA-RGOKHQFPSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000575590173 387204040 /nfs/dbraw/zinc/20/40/40/387204040.db2.gz GIUXMMKZRFVOAA-RGOKHQFPSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]12C[C@H]([NH3+])CO2 ZINC000575508449 387370608 /nfs/dbraw/zinc/37/06/08/387370608.db2.gz LXOGYKJKBIUWKC-QEJZJMRPSA-N 2 1 246.354 1.767 10 0 BDAEMP C[C@@H]1C[NH2+][C@]2(CC[NH2+]C(C)(C)C2)S1 ZINC000575512283 387383436 /nfs/dbraw/zinc/38/34/36/387383436.db2.gz MAEQFNWOKWLNSB-PSASIEDQSA-N 2 1 200.351 1.570 10 0 BDAEMP Cc1noc(C)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000045949199 387513612 /nfs/dbraw/zinc/51/36/12/387513612.db2.gz ONHRKRXZTOAIAX-LLVKDONJSA-N 2 1 223.320 1.381 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000422830297 387723705 /nfs/dbraw/zinc/72/37/05/387723705.db2.gz CKPPNIUNXSKTIJ-IGQOVBAYSA-N 3 1 239.407 1.447 10 0 BDAEMP c1ccc2c(c1)CC[C@H](C[NH2+][C@H]1CC[NH2+]C1)C2 ZINC000643477987 387802882 /nfs/dbraw/zinc/80/28/82/387802882.db2.gz MKEINKDSXIFKCE-WFASDCNBSA-N 2 1 230.355 1.743 10 0 BDAEMP OCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000423004275 387825660 /nfs/dbraw/zinc/82/56/60/387825660.db2.gz JKRXGVROZMKVLR-CHWSQXEVSA-N 2 1 226.364 1.269 10 0 BDAEMP OCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000423004276 387825783 /nfs/dbraw/zinc/82/57/83/387825783.db2.gz JKRXGVROZMKVLR-OLZOCXBDSA-N 2 1 226.364 1.269 10 0 BDAEMP COc1ccncc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423130685 387907979 /nfs/dbraw/zinc/90/79/79/387907979.db2.gz NCQNTXRGNNIULT-GFCCVEGCSA-N 2 1 235.331 1.322 10 0 BDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC000156185236 387935711 /nfs/dbraw/zinc/93/57/11/387935711.db2.gz LLFCURKEIMRNKS-GFCCVEGCSA-N 2 1 240.391 1.421 10 0 BDAEMP CCSCC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527748 135152443 /nfs/dbraw/zinc/15/24/43/135152443.db2.gz GRYRXQDLPHDYPW-SNVBAGLBSA-N 2 1 216.394 1.799 10 0 BDAEMP CCSCC[NH2+]CCn1cc[nH+]c1C ZINC000275844570 388345684 /nfs/dbraw/zinc/34/56/84/388345684.db2.gz VGUNFPPABAADFV-UHFFFAOYSA-N 2 1 213.350 1.534 10 0 BDAEMP CC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000059394563 388396087 /nfs/dbraw/zinc/39/60/87/388396087.db2.gz YAXQFMWHBFCHMM-OLZOCXBDSA-N 2 1 204.317 1.856 10 0 BDAEMP CC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000059394563 388396090 /nfs/dbraw/zinc/39/60/90/388396090.db2.gz YAXQFMWHBFCHMM-OLZOCXBDSA-N 2 1 204.317 1.856 10 0 BDAEMP CC[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248373902 388676711 /nfs/dbraw/zinc/67/67/11/388676711.db2.gz MIWZJQIGWQFDEC-OLZOCXBDSA-N 2 1 242.407 1.810 10 0 BDAEMP CC(C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174901667 134285373 /nfs/dbraw/zinc/28/53/73/134285373.db2.gz LUZHROZQPZRNBG-AWEZNQCLSA-N 2 1 239.407 1.497 10 0 BDAEMP CC(C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174901667 134285374 /nfs/dbraw/zinc/28/53/74/134285374.db2.gz LUZHROZQPZRNBG-AWEZNQCLSA-N 2 1 239.407 1.497 10 0 BDAEMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261548620 135187774 /nfs/dbraw/zinc/18/77/74/135187774.db2.gz JUJABPZKVBMDDT-GFCCVEGCSA-N 2 1 236.363 1.288 10 0 BDAEMP Cc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261548620 135187775 /nfs/dbraw/zinc/18/77/75/135187775.db2.gz JUJABPZKVBMDDT-GFCCVEGCSA-N 2 1 236.363 1.288 10 0 BDAEMP Cc1cnn(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261586472 135227861 /nfs/dbraw/zinc/22/78/61/135227861.db2.gz UISRAJOCUTZBOD-UHFFFAOYSA-N 2 1 248.374 1.267 10 0 BDAEMP COCC(C)(C)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261968488 135266770 /nfs/dbraw/zinc/26/67/70/135266770.db2.gz QCMSBHVYWQTVSQ-NSHDSACASA-N 2 1 228.380 1.718 10 0 BDAEMP C(C1CCOCC1)[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299892950 135381172 /nfs/dbraw/zinc/38/11/72/135381172.db2.gz FYQDJCQDTVUZDS-STQMWFEESA-N 2 1 224.348 1.097 10 0 BDAEMP Cc1nc(CN(C)C[C@H]2CC[N@@H+](C)C2)[nH]c1C ZINC000628243144 397731854 /nfs/dbraw/zinc/73/18/54/397731854.db2.gz FKOOXNMZGHKQFQ-LBPRGKRZSA-N 2 1 236.363 1.410 10 0 BDAEMP Cn1cncc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000179271532 397852600 /nfs/dbraw/zinc/85/26/00/397852600.db2.gz HTQWKNRDBUZMIG-LBPRGKRZSA-N 2 1 245.330 1.281 10 0 BDAEMP C/C(=C\Cl)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000231993876 397988732 /nfs/dbraw/zinc/98/87/32/397988732.db2.gz JBDGQWQCQWSVKV-VCQGXKKCSA-N 2 1 202.729 1.798 10 0 BDAEMP C/C(=C\Cl)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000231993876 397988734 /nfs/dbraw/zinc/98/87/34/397988734.db2.gz JBDGQWQCQWSVKV-VCQGXKKCSA-N 2 1 202.729 1.798 10 0 BDAEMP CC(C)C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000309086956 167007268 /nfs/dbraw/zinc/00/72/68/167007268.db2.gz YWVIIMRSXXHMCX-LLVKDONJSA-N 2 1 207.321 1.691 10 0 BDAEMP CC(C)NC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000104157705 167041202 /nfs/dbraw/zinc/04/12/02/167041202.db2.gz XRTLYMYZMJMFEA-VXGBXAGGSA-N 2 1 241.379 1.103 10 0 BDAEMP CC(C)NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000104157705 167041205 /nfs/dbraw/zinc/04/12/05/167041205.db2.gz XRTLYMYZMJMFEA-VXGBXAGGSA-N 2 1 241.379 1.103 10 0 BDAEMP Cc1nc(NC[C@@H](C)C[NH3+])c(C)c(C)[nH+]1 ZINC000257646949 322873279 /nfs/dbraw/zinc/87/32/79/322873279.db2.gz INBMIKKPXCSKSC-ZETCQYMHSA-N 2 1 208.309 1.409 10 0 BDAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000309641634 167105103 /nfs/dbraw/zinc/10/51/03/167105103.db2.gz UTBBOGKLZNWTOU-CHWSQXEVSA-N 2 1 226.364 1.343 10 0 BDAEMP CC(C)[NH2+]CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000309641634 167105104 /nfs/dbraw/zinc/10/51/04/167105104.db2.gz UTBBOGKLZNWTOU-CHWSQXEVSA-N 2 1 226.364 1.343 10 0 BDAEMP CC(C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C[C@@H]1C ZINC000073656306 166976018 /nfs/dbraw/zinc/97/60/18/166976018.db2.gz OHJJWLBZMHDBHK-UONOGXRCSA-N 2 1 239.407 1.401 10 0 BDAEMP CC(C)[N@@H+]1CCc2nc([C@H](C)[NH3+])sc2C1 ZINC000041059197 167027406 /nfs/dbraw/zinc/02/74/06/167027406.db2.gz DUACEZFMXGEBNE-QMMMGPOBSA-N 2 1 225.361 1.929 10 0 BDAEMP CC(C)[N@H+]1CCc2nc([C@H](C)[NH3+])sc2C1 ZINC000041059197 167027409 /nfs/dbraw/zinc/02/74/09/167027409.db2.gz DUACEZFMXGEBNE-QMMMGPOBSA-N 2 1 225.361 1.929 10 0 BDAEMP CC(C)NC(=O)CC[N@@H+]1[C@H](C)CCC[C@H]1C[NH3+] ZINC000104157715 167041008 /nfs/dbraw/zinc/04/10/08/167041008.db2.gz XRTLYMYZMJMFEA-NEPJUHHUSA-N 2 1 241.379 1.103 10 0 BDAEMP CC(C)NC(=O)CC[N@H+]1[C@H](C)CCC[C@H]1C[NH3+] ZINC000104157715 167041013 /nfs/dbraw/zinc/04/10/13/167041013.db2.gz XRTLYMYZMJMFEA-NEPJUHHUSA-N 2 1 241.379 1.103 10 0 BDAEMP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[N@@H+](C)[C@H](C)C1 ZINC000104136160 167108236 /nfs/dbraw/zinc/10/82/36/167108236.db2.gz KMGSZQTVRSSHGM-KGLIPLIRSA-N 2 1 241.423 1.645 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000053651818 167115498 /nfs/dbraw/zinc/11/54/98/167115498.db2.gz BDDLEMFMFFKESN-UONOGXRCSA-N 2 1 240.391 1.875 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000053651818 167115501 /nfs/dbraw/zinc/11/55/01/167115501.db2.gz BDDLEMFMFFKESN-UONOGXRCSA-N 2 1 240.391 1.875 10 0 BDAEMP CC(C)OCCC[N@@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886689 167216119 /nfs/dbraw/zinc/21/61/19/167216119.db2.gz UPTKTKPDFABHJM-LBPRGKRZSA-N 2 1 244.379 1.240 10 0 BDAEMP CC(C)OCCC[N@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886689 167216123 /nfs/dbraw/zinc/21/61/23/167216123.db2.gz UPTKTKPDFABHJM-LBPRGKRZSA-N 2 1 244.379 1.240 10 0 BDAEMP C[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1[NH3+] ZINC000300082063 411081748 /nfs/dbraw/zinc/08/17/48/411081748.db2.gz CQRYWLXCLVQZSH-BZPMIXESSA-N 2 1 246.354 1.832 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1[NH3+] ZINC000300082063 411081752 /nfs/dbraw/zinc/08/17/52/411081752.db2.gz CQRYWLXCLVQZSH-BZPMIXESSA-N 2 1 246.354 1.832 10 0 BDAEMP CO[C@@H]1CCC[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000310394395 411235372 /nfs/dbraw/zinc/23/53/72/411235372.db2.gz SEPYWOWWVFXMTB-XJFOESAGSA-N 2 1 240.391 1.861 10 0 BDAEMP Nc1cc([C@@H]2CCCN(CC[NH3+])CC2)cc[nH+]1 ZINC000616600449 411287816 /nfs/dbraw/zinc/28/78/16/411287816.db2.gz FTQAQALIRRWONR-LLVKDONJSA-N 2 1 234.347 1.192 10 0 BDAEMP CCc1nc(N(C)CC(C)(C)[NH3+])cc(C)[nH+]1 ZINC000656609792 411309002 /nfs/dbraw/zinc/30/90/02/411309002.db2.gz VAAVSOVWJHUIBA-UHFFFAOYSA-N 2 1 222.336 1.521 10 0 BDAEMP CCC(C)(C)NC(=O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557070 168289752 /nfs/dbraw/zinc/28/97/52/168289752.db2.gz LNHRGPDBANKLKA-LLVKDONJSA-N 2 1 243.395 1.221 10 0 BDAEMP CC[N@H+]1CC[C@@H](CN2CCC[NH2+][C@H](C)CC2)C1 ZINC000049666720 170005837 /nfs/dbraw/zinc/00/58/37/170005837.db2.gz CDJJEPLHDSCXJI-ZIAGYGMSSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000037894007 170016818 /nfs/dbraw/zinc/01/68/18/170016818.db2.gz MEAVUXUYKIPSPW-MCIONIFRSA-N 2 1 240.391 1.611 10 0 BDAEMP CC[N@H+]1CCc2nc(CCC[NH3+])sc2C1 ZINC000054139479 170025274 /nfs/dbraw/zinc/02/52/74/170025274.db2.gz VIBYGRAAHKSYRC-UHFFFAOYSA-N 2 1 225.361 1.412 10 0 BDAEMP CC[N@H+]1CCc2nc(CC[NH2+]C)sc2C1 ZINC000053296446 170025473 /nfs/dbraw/zinc/02/54/73/170025473.db2.gz KWBLQOLPKKNFGS-UHFFFAOYSA-N 2 1 225.361 1.283 10 0 BDAEMP CC[NH2+]CC(C)(C)C[N@H+]1CCCC[C@H]1CCO ZINC000051213537 170110794 /nfs/dbraw/zinc/11/07/94/170110794.db2.gz SHZIGSWMCGMBJL-ZDUSSCGKSA-N 2 1 242.407 1.859 10 0 BDAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000053249818 170112645 /nfs/dbraw/zinc/11/26/45/170112645.db2.gz AUYMNOBUPIRGCX-ZIAGYGMSSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)Cn2ccnc2)C1 ZINC000053031995 170122351 /nfs/dbraw/zinc/12/23/51/170122351.db2.gz NOMPMXMQCJAMGM-QWHCGFSZSA-N 2 1 236.363 1.203 10 0 BDAEMP CC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC000049712927 170152339 /nfs/dbraw/zinc/15/23/39/170152339.db2.gz WOTBLEWKKXFFTH-MGPQQGTHSA-N 2 1 239.407 1.401 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@@H]1N1CCC[N@@H+](C)CC1 ZINC000043818333 170166947 /nfs/dbraw/zinc/16/69/47/170166947.db2.gz HLTLZXRCLWOTFQ-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP CC[NH2+][C@H]1CC[N@H+](CCc2ccccn2)C[C@@H]1C ZINC000049712380 170168127 /nfs/dbraw/zinc/16/81/27/170168127.db2.gz PWQBIBVSFBQMMU-ZFWWWQNUSA-N 2 1 247.386 1.944 10 0 BDAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccccn2)C[C@@H]1C ZINC000049712380 170168129 /nfs/dbraw/zinc/16/81/29/170168129.db2.gz PWQBIBVSFBQMMU-ZFWWWQNUSA-N 2 1 247.386 1.944 10 0 BDAEMP CCOCCC[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000076458263 170380254 /nfs/dbraw/zinc/38/02/54/170380254.db2.gz ZZDNHYOTGNMYNA-LBPRGKRZSA-N 2 1 214.353 1.344 10 0 BDAEMP CCOCCC[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000076458258 170380277 /nfs/dbraw/zinc/38/02/77/170380277.db2.gz ZZDNHYOTGNMYNA-GFCCVEGCSA-N 2 1 214.353 1.344 10 0 BDAEMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000314935679 411897867 /nfs/dbraw/zinc/89/78/67/411897867.db2.gz RKBBIYMPIZVENI-WCQYABFASA-N 2 1 237.347 1.510 10 0 BDAEMP Nc1cc([C@@H]2CCC[N@H+](CCO)CC2)cc[nH+]1 ZINC000616627332 411946475 /nfs/dbraw/zinc/94/64/75/411946475.db2.gz IVNRKJNYEZPHLZ-LLVKDONJSA-N 2 1 235.331 1.226 10 0 BDAEMP Nc1cc([C@@H]2CCC[N@@H+](CCO)CC2)cc[nH+]1 ZINC000616627332 411946479 /nfs/dbraw/zinc/94/64/79/411946479.db2.gz IVNRKJNYEZPHLZ-LLVKDONJSA-N 2 1 235.331 1.226 10 0 BDAEMP Cc1nocc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000662266744 412057478 /nfs/dbraw/zinc/05/74/78/412057478.db2.gz OQLRDEZMGLONKK-WCQGTBRESA-N 2 1 221.304 1.152 10 0 BDAEMP CC[C@@H]1CN(Cc2ccc(C[NH3+])o2)CC[N@H+]1C ZINC000104127439 171088248 /nfs/dbraw/zinc/08/82/48/171088248.db2.gz SOBMWDZNOSAHGQ-LLVKDONJSA-N 2 1 237.347 1.264 10 0 BDAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@]1(CC)CC[NH2+]C1 ZINC000062911633 171113579 /nfs/dbraw/zinc/11/35/79/171113579.db2.gz REBGXYGCAKSNRS-MGPQQGTHSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@]1(CC)CC[NH2+]C1 ZINC000062911633 171113582 /nfs/dbraw/zinc/11/35/82/171113582.db2.gz REBGXYGCAKSNRS-MGPQQGTHSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000076639337 171212579 /nfs/dbraw/zinc/21/25/79/171212579.db2.gz DMCHUIKZIOTHEZ-CYBMUJFWSA-N 2 1 204.317 2.000 10 0 BDAEMP CC[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000076639337 171212582 /nfs/dbraw/zinc/21/25/82/171212582.db2.gz DMCHUIKZIOTHEZ-CYBMUJFWSA-N 2 1 204.317 2.000 10 0 BDAEMP CC[C@H](C)N1CC[NH+](CCCC[C@H](C)[NH3+])CC1 ZINC000055065167 171318764 /nfs/dbraw/zinc/31/87/64/171318764.db2.gz SCOHUFRNHAKTAM-KBPBESRZSA-N 2 1 241.423 1.920 10 0 BDAEMP CC(C)[C@H]([NH3+])CCNc1cc[nH+]c(N(C)C)n1 ZINC000663275927 412405202 /nfs/dbraw/zinc/40/52/02/412405202.db2.gz GYXQYSJBLJOBKQ-SNVBAGLBSA-N 2 1 237.351 1.328 10 0 BDAEMP CCc1[nH+]ccn1Cc1cc(C[NH3+])ccc1OC ZINC000016942096 172028441 /nfs/dbraw/zinc/02/84/41/172028441.db2.gz NZBCPDAVSAHZAU-UHFFFAOYSA-N 2 1 245.326 1.961 10 0 BDAEMP CCn1cccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000085609254 172209790 /nfs/dbraw/zinc/20/97/90/172209790.db2.gz JZCKIGVJKWCGMA-LBPRGKRZSA-N 2 1 223.364 1.938 10 0 BDAEMP CCn1cc[nH+]c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000050614274 172228621 /nfs/dbraw/zinc/22/86/21/172228621.db2.gz GBTFMYITLZKQPQ-NSHDSACASA-N 2 1 222.336 1.657 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CN1CCC[NH2+]CCC1 ZINC000044564241 173004239 /nfs/dbraw/zinc/00/42/39/173004239.db2.gz LMYVQQRHCLJFGD-CYBMUJFWSA-N 2 1 225.380 1.156 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1CCOCC1 ZINC000052205565 173005518 /nfs/dbraw/zinc/00/55/18/173005518.db2.gz AEWLBGFKRWTFBH-CYBMUJFWSA-N 2 1 226.364 1.629 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1N ZINC000044563550 173006110 /nfs/dbraw/zinc/00/61/10/173006110.db2.gz CSQHWYGDTNEFGX-SNVBAGLBSA-N 2 1 220.320 1.560 10 0 BDAEMP C[N@@H+]1CCCC[C@@H]1c1nnc(CCC[NH3+])o1 ZINC000095828883 173007249 /nfs/dbraw/zinc/00/72/49/173007249.db2.gz UBJYQLMNAJPRLL-SECBINFHSA-N 2 1 224.308 1.118 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1c1nnc(CCC[NH3+])o1 ZINC000095828883 173007251 /nfs/dbraw/zinc/00/72/51/173007251.db2.gz UBJYQLMNAJPRLL-SECBINFHSA-N 2 1 224.308 1.118 10 0 BDAEMP CN1CCC[N@@H+](CC2CCC([NH3+])CC2)CC1 ZINC000037482413 173013567 /nfs/dbraw/zinc/01/35/67/173013567.db2.gz HXVRHCQHWUHMRE-UHFFFAOYSA-N 2 1 225.380 1.141 10 0 BDAEMP CN(C[C@@H]1CCCC[NH2+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245395 173043731 /nfs/dbraw/zinc/04/37/31/173043731.db2.gz MNWWOGQJQFRRRW-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)CC1CCC([NH3+])CC1 ZINC000071190899 173112629 /nfs/dbraw/zinc/11/26/29/173112629.db2.gz BLNAXEWNOWMGQZ-ROKHWSDSSA-N 2 1 239.407 1.387 10 0 BDAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)CC1CCC([NH3+])CC1 ZINC000071190899 173112631 /nfs/dbraw/zinc/11/26/31/173112631.db2.gz BLNAXEWNOWMGQZ-ROKHWSDSSA-N 3 1 239.407 1.387 10 0 BDAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)CC1CCC([NH3+])CC1 ZINC000071190899 173112634 /nfs/dbraw/zinc/11/26/34/173112634.db2.gz BLNAXEWNOWMGQZ-ROKHWSDSSA-N 3 1 239.407 1.387 10 0 BDAEMP CN1CC[C@@H](C[N@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000071190899 173112635 /nfs/dbraw/zinc/11/26/35/173112635.db2.gz BLNAXEWNOWMGQZ-ROKHWSDSSA-N 2 1 239.407 1.387 10 0 BDAEMP CN1CC[C@@H](C[N@@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000071190899 173112638 /nfs/dbraw/zinc/11/26/38/173112638.db2.gz BLNAXEWNOWMGQZ-ROKHWSDSSA-N 2 1 239.407 1.387 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484652 173146666 /nfs/dbraw/zinc/14/66/66/173146666.db2.gz ZTRKECGWLCFGGM-GFCCVEGCSA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484644 173147109 /nfs/dbraw/zinc/14/71/09/173147109.db2.gz ANVSYDBDWAVSLZ-GFCCVEGCSA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484742 173147508 /nfs/dbraw/zinc/14/75/08/173147508.db2.gz ZNNMCNXXAYLCIN-CYBMUJFWSA-N 2 1 204.317 1.728 10 0 BDAEMP C[NH2+]CC(C)(C)C[N@H+]1CCCO[C@H](C)C1 ZINC000061934217 173336996 /nfs/dbraw/zinc/33/69/96/173336996.db2.gz ZIVHIKJUPATNFF-LLVKDONJSA-N 2 1 214.353 1.343 10 0 BDAEMP C[NH2+]CC1CCN(c2[nH+]cccc2C)CC1 ZINC000053664023 173338583 /nfs/dbraw/zinc/33/85/83/173338583.db2.gz BOIWOHBNIZIBNM-UHFFFAOYSA-N 2 1 219.332 1.826 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@@H+](C)CC2CCC2)CCCOC1 ZINC000104318769 173372942 /nfs/dbraw/zinc/37/29/42/173372942.db2.gz CQRPBVGKBURQCV-CQSZACIVSA-N 2 1 240.391 1.735 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(C)n2)C1 ZINC000053034885 173381534 /nfs/dbraw/zinc/38/15/34/173381534.db2.gz JMKMPGCPQLQIKD-GFCCVEGCSA-N 2 1 219.332 1.431 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000053034885 173381535 /nfs/dbraw/zinc/38/15/35/173381535.db2.gz JMKMPGCPQLQIKD-GFCCVEGCSA-N 2 1 219.332 1.431 10 0 BDAEMP C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C)C1 ZINC000062971663 173390689 /nfs/dbraw/zinc/39/06/89/173390689.db2.gz ZDOSSGGFDRRYIB-HNNXBMFYSA-N 2 1 247.386 1.542 10 0 BDAEMP C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](N(C)C)C1 ZINC000062971663 173390691 /nfs/dbraw/zinc/39/06/91/173390691.db2.gz ZDOSSGGFDRRYIB-HNNXBMFYSA-N 2 1 247.386 1.542 10 0 BDAEMP C[NH2+]Cc1nc(Cn2c[nH+]c(C)c2C)cs1 ZINC000052593864 173395116 /nfs/dbraw/zinc/39/51/16/173395116.db2.gz OJYZFNHZNRTXBL-UHFFFAOYSA-N 2 1 236.344 1.724 10 0 BDAEMP C[NH2+]Cc1occc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000052540919 173399385 /nfs/dbraw/zinc/39/93/85/173399385.db2.gz NQBQVUUWUUQHQA-LBPRGKRZSA-N 2 1 238.331 1.610 10 0 BDAEMP COC1CC[NH+](C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000037266046 174028103 /nfs/dbraw/zinc/02/81/03/174028103.db2.gz CLTRYWWBXGCUCM-NSHDSACASA-N 2 1 214.353 1.471 10 0 BDAEMP COC1CC[NH+](C[C@H]([NH3+])C(C)C)CC1 ZINC000037266510 174028368 /nfs/dbraw/zinc/02/83/68/174028368.db2.gz VQJDCTWNZFKSTP-NSHDSACASA-N 2 1 200.326 1.081 10 0 BDAEMP COCC[N@@H+](CC(C)C)C[C@@H](C)C[NH2+]C1CC1 ZINC000052508460 174287201 /nfs/dbraw/zinc/28/72/01/174287201.db2.gz LFZWXLLFDMHVLE-ZDUSSCGKSA-N 2 1 242.407 1.979 10 0 BDAEMP COCC[N@@H+](Cc1cccc(C[NH3+])c1)C1CC1 ZINC000042517590 174298786 /nfs/dbraw/zinc/29/87/86/174298786.db2.gz SCOQJJPGWJUBGL-UHFFFAOYSA-N 2 1 234.343 1.756 10 0 BDAEMP COCC[N@@H+]([C@@H](C)COC)[C@H](CN)CC(C)C ZINC000042603346 174302166 /nfs/dbraw/zinc/30/21/66/174302166.db2.gz OKURSCIAVLFVFC-STQMWFEESA-N 2 1 246.395 1.343 10 0 BDAEMP COCC[N@H+]([C@@H](C)COC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042607148 174302226 /nfs/dbraw/zinc/30/22/26/174302226.db2.gz RPWRTSRMAVMUOO-RWMBFGLXSA-N 2 1 244.379 1.240 10 0 BDAEMP COCC[N@@H+]([C@@H](C)COC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042607148 174302227 /nfs/dbraw/zinc/30/22/27/174302227.db2.gz RPWRTSRMAVMUOO-RWMBFGLXSA-N 2 1 244.379 1.240 10 0 BDAEMP COc1cccc(C[N@H+](CCC(N)=[NH2+])C2CC2)c1 ZINC000042547973 175257114 /nfs/dbraw/zinc/25/71/14/175257114.db2.gz MILWMMLVRBUFCX-UHFFFAOYSA-N 2 1 247.342 1.986 10 0 BDAEMP COc1cccc(C[N@@H+](CCC(N)=[NH2+])C2CC2)c1 ZINC000042547973 175257116 /nfs/dbraw/zinc/25/71/16/175257116.db2.gz MILWMMLVRBUFCX-UHFFFAOYSA-N 2 1 247.342 1.986 10 0 BDAEMP COc1cccc([C@@H](C[NH3+])n2cc[nH+]c2C)c1 ZINC000043028775 175287655 /nfs/dbraw/zinc/28/76/55/175287655.db2.gz GJCWRKPLTQONTM-CYBMUJFWSA-N 2 1 231.299 1.748 10 0 BDAEMP COc1ccccc1C[N@@H+](C)[C@@H](C)CC[NH3+] ZINC000042441516 175325987 /nfs/dbraw/zinc/32/59/87/175325987.db2.gz DSURYQQXCNWFBN-NSHDSACASA-N 2 1 222.332 1.864 10 0 BDAEMP COc1ccccc1[C@@H](C[NH3+])n1cc[nH+]c1C ZINC000043098683 175345664 /nfs/dbraw/zinc/34/56/64/175345664.db2.gz ATXQDMIKHDKGSN-GFCCVEGCSA-N 2 1 231.299 1.748 10 0 BDAEMP C[C@@H]([NH3+])c1csc(C[NH+]2CCCC2)n1 ZINC000045206600 175818654 /nfs/dbraw/zinc/81/86/54/175818654.db2.gz VOKCAKFJMOFFRT-MRVPVSSYSA-N 2 1 211.334 1.759 10 0 BDAEMP C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068234 176026661 /nfs/dbraw/zinc/02/66/61/176026661.db2.gz RQWNGGPHIKFGSX-NWDGAFQWSA-N 2 1 219.332 1.684 10 0 BDAEMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068234 176026663 /nfs/dbraw/zinc/02/66/63/176026663.db2.gz RQWNGGPHIKFGSX-NWDGAFQWSA-N 2 1 219.332 1.684 10 0 BDAEMP C[C@@H]1CCC[N@H+](Cc2ccoc2C[NH3+])C1 ZINC000052381325 176101863 /nfs/dbraw/zinc/10/18/63/176101863.db2.gz UNKVTYRBDBVBCD-SNVBAGLBSA-N 2 1 208.305 1.970 10 0 BDAEMP C[C@@H]1CCC[N@@H+](Cc2ccoc2C[NH3+])C1 ZINC000052381325 176101865 /nfs/dbraw/zinc/10/18/65/176101865.db2.gz UNKVTYRBDBVBCD-SNVBAGLBSA-N 2 1 208.305 1.970 10 0 BDAEMP C[C@@H]1CCC[C@](CO)([N@H+]2CCC[NH2+]CC2)C1 ZINC000038117167 176151975 /nfs/dbraw/zinc/15/19/75/176151975.db2.gz NDPXRTUBVKDYQV-OLZOCXBDSA-N 2 1 226.364 1.223 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccnc1 ZINC000042427386 176202574 /nfs/dbraw/zinc/20/25/74/176202574.db2.gz YUCCHUAENAWAOM-NEPJUHHUSA-N 2 1 219.332 1.641 10 0 BDAEMP C[C@@H]1C[N@H+](CC2(C[NH3+])CCCC2)[C@H](C)CO1 ZINC000051216950 176285164 /nfs/dbraw/zinc/28/51/64/176285164.db2.gz JBSALONEJYNYJV-VXGBXAGGSA-N 2 1 226.364 1.615 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CCCC2)[C@H](C)CO1 ZINC000051216950 176285167 /nfs/dbraw/zinc/28/51/67/176285167.db2.gz JBSALONEJYNYJV-VXGBXAGGSA-N 2 1 226.364 1.615 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCCC[NH2+]C2CC2)CCN1C ZINC000104132390 176287498 /nfs/dbraw/zinc/28/74/98/176287498.db2.gz LXGMSUAPHWVTKK-CYBMUJFWSA-N 2 1 239.407 1.545 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000044982862 176324576 /nfs/dbraw/zinc/32/45/76/176324576.db2.gz PSCCUBYPFVEFBF-OLZOCXBDSA-N 2 1 226.364 1.344 10 0 BDAEMP C[C@@H]1C[NH2+]CCN1CC[C@@H]1CCCC[N@H+]1C ZINC000054373256 176326446 /nfs/dbraw/zinc/32/64/46/176326446.db2.gz WWYZOYHZIMOMBB-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000309762599 176340169 /nfs/dbraw/zinc/34/01/69/176340169.db2.gz JAKRGUOAUNOXFS-WXHSDQCUSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@H]1CCCC[C@@]1(CO)[N@H+]1CCC[NH2+]CC1 ZINC000038117156 177084972 /nfs/dbraw/zinc/08/49/72/177084972.db2.gz LSGWHPNZUDXHFK-STQMWFEESA-N 2 1 226.364 1.223 10 0 BDAEMP C[C@H]1CCN(C[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000044564219 177161822 /nfs/dbraw/zinc/16/18/22/177161822.db2.gz GUNQDNZNWGKPPE-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccn1 ZINC000042427383 177189380 /nfs/dbraw/zinc/18/93/80/177189380.db2.gz TYSYXCHVNLVYRH-RYUDHWBXSA-N 2 1 219.332 1.641 10 0 BDAEMP C[C@H]1C[N@H+](CC2(C[NH3+])CCCCC2)CCO1 ZINC000051210527 177245119 /nfs/dbraw/zinc/24/51/19/177245119.db2.gz SRNMAUPSPJSRHM-LBPRGKRZSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@H]1C[N@@H+](CC2(C[NH3+])CCCCC2)CCO1 ZINC000051210527 177245121 /nfs/dbraw/zinc/24/51/21/177245121.db2.gz SRNMAUPSPJSRHM-LBPRGKRZSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@H]1C[N@@H+](CC(C)(C)C[NH3+])CC(C)(C)O1 ZINC000051253749 177245502 /nfs/dbraw/zinc/24/55/02/177245502.db2.gz VFLFAPFTPXTEIS-JTQLQIEISA-N 2 1 214.353 1.471 10 0 BDAEMP C[C@@H]([NH3+])CC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000045684874 177254151 /nfs/dbraw/zinc/25/41/51/177254151.db2.gz IKWXJSOTYQNMST-ZJUUUORDSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@H]1C[N@H+](C[C@](C)([NH3+])C2CC2)CCCO1 ZINC000061934591 177259751 /nfs/dbraw/zinc/25/97/51/177259751.db2.gz HCUBKJXBSNKQTC-JQWIXIFHSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@H]1C[N@@H+](C[C@](C)([NH3+])C2CC2)CCCO1 ZINC000061934591 177259753 /nfs/dbraw/zinc/25/97/53/177259753.db2.gz HCUBKJXBSNKQTC-JQWIXIFHSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H](CCC[NH3+])[N@H+]1CCCO[C@@H](C)C1 ZINC000061935624 177274317 /nfs/dbraw/zinc/27/43/17/177274317.db2.gz DNAICOXETODPEU-QWRGUYRKSA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@H]1COCC[N@H+]1CC1CCC([NH3+])CC1 ZINC000037482474 177290725 /nfs/dbraw/zinc/29/07/25/177290725.db2.gz PJYNRQKZXFRVQY-UNXYVOJBSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000044518810 177364427 /nfs/dbraw/zinc/36/44/27/177364427.db2.gz CQDAQLZPHNAMQF-WCQYABFASA-N 3 1 225.380 1.140 10 0 BDAEMP CCc1cc(N2CC[C@@H]([NH3+])[C@@H](CC)C2)nc(C)[nH+]1 ZINC000226035748 487653356 /nfs/dbraw/zinc/65/33/56/487653356.db2.gz NBJURJFOEAYIIZ-WCQYABFASA-N 2 1 248.374 1.911 10 0 BDAEMP Cn1cncc1CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000314898616 487669963 /nfs/dbraw/zinc/66/99/63/487669963.db2.gz NCYHVXMNLDCDRG-UBHSHLNASA-N 2 1 248.374 1.022 10 0 BDAEMP CC[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[C@H]1[NH3+] ZINC000251850466 487802411 /nfs/dbraw/zinc/80/24/11/487802411.db2.gz RSHYAHAEOHDNQR-GHMZBOCLSA-N 2 1 249.362 1.106 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000252824581 487835597 /nfs/dbraw/zinc/83/55/97/487835597.db2.gz DLHBNUIUTAHSDB-OLZOCXBDSA-N 2 1 246.354 1.976 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000252824581 487835602 /nfs/dbraw/zinc/83/56/02/487835602.db2.gz DLHBNUIUTAHSDB-OLZOCXBDSA-N 2 1 246.354 1.976 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400591216 529083294 /nfs/dbraw/zinc/08/32/94/529083294.db2.gz UJRHMRDPKHDCKR-RWMBFGLXSA-N 2 1 225.380 1.058 10 0 BDAEMP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400591216 529083297 /nfs/dbraw/zinc/08/32/97/529083297.db2.gz UJRHMRDPKHDCKR-RWMBFGLXSA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@H]([NH3+])CC[NH2+]Cc1nc2c(s1)CCC2 ZINC000666775567 487878632 /nfs/dbraw/zinc/87/86/32/487878632.db2.gz XDVKZWQWOJYOOC-QMMMGPOBSA-N 2 1 225.361 1.459 10 0 BDAEMP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566732238 326076785 /nfs/dbraw/zinc/07/67/85/326076785.db2.gz LIQXWTIHPMPEHH-IHRRRGAJSA-N 2 1 239.407 1.448 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566732238 326076787 /nfs/dbraw/zinc/07/67/87/326076787.db2.gz LIQXWTIHPMPEHH-IHRRRGAJSA-N 2 1 239.407 1.448 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H]1CC[NH2+]C1 ZINC000086188799 487489624 /nfs/dbraw/zinc/48/96/24/487489624.db2.gz ZWDCSFBMVIIMOO-CHWSQXEVSA-N 2 1 225.380 1.012 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]12 ZINC000662266563 490042749 /nfs/dbraw/zinc/04/27/49/490042749.db2.gz NCDSOUXRSLDINL-DBIOUOCHSA-N 2 1 246.301 1.080 10 0 BDAEMP COC[C@@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757129270 582505033 /nfs/dbraw/zinc/50/50/33/582505033.db2.gz LAYRDXDLGLKRDM-QWHCGFSZSA-N 2 1 226.364 1.487 10 0 BDAEMP CC[C@@H]1CC[NH2+][C@@]2(CCC[N@@H+](C)CC2)O1 ZINC000757150542 582534513 /nfs/dbraw/zinc/53/45/13/582534513.db2.gz ZAFRWIZBASRQJD-NEPJUHHUSA-N 2 1 212.337 1.587 10 0 BDAEMP C[C@@H]1O[C@@]2(CCC[N@@H+](C)CC2)[NH2+]CC1(C)C ZINC000757150351 582534932 /nfs/dbraw/zinc/53/49/32/582534932.db2.gz QTIOVCLAZWQVNF-WCQYABFASA-N 2 1 226.364 1.833 10 0 BDAEMP C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400515196 533833714 /nfs/dbraw/zinc/83/37/14/533833714.db2.gz KJGSXJWNPURUCF-NWDGAFQWSA-N 2 1 225.380 1.058 10 0 BDAEMP CC[N@@H+](CCN[C@@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400501624 528512888 /nfs/dbraw/zinc/51/28/88/528512888.db2.gz GWMPPTWFWQULMT-RYUDHWBXSA-N 2 1 225.380 1.058 10 0 BDAEMP CCN(CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400501624 528512894 /nfs/dbraw/zinc/51/28/94/528512894.db2.gz GWMPPTWFWQULMT-RYUDHWBXSA-N 2 1 225.380 1.058 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400362133 528828767 /nfs/dbraw/zinc/82/87/67/528828767.db2.gz CJOXXCGROIAQQB-FRRDWIJNSA-N 2 1 227.396 1.303 10 0 BDAEMP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400430829 529091963 /nfs/dbraw/zinc/09/19/63/529091963.db2.gz BPZNZRNUOZRXKZ-XQQFMLRXSA-N 2 1 225.380 1.058 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400430829 529091968 /nfs/dbraw/zinc/09/19/68/529091968.db2.gz BPZNZRNUOZRXKZ-XQQFMLRXSA-N 2 1 225.380 1.058 10 0 BDAEMP C[NH+](C)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253279803 535833936 /nfs/dbraw/zinc/83/39/36/535833936.db2.gz KENJWOQUIHBSQR-BFHYXJOUSA-N 2 1 240.391 1.564 10 0 BDAEMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](CCO)C1 ZINC000252742238 536354157 /nfs/dbraw/zinc/35/41/57/536354157.db2.gz JQRICNAUWKGZMH-ZIAGYGMSSA-N 2 1 240.391 1.565 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CCO)C1 ZINC000252742238 536354149 /nfs/dbraw/zinc/35/41/49/536354149.db2.gz JQRICNAUWKGZMH-ZIAGYGMSSA-N 2 1 240.391 1.565 10 0 BDAEMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000252742238 536354154 /nfs/dbraw/zinc/35/41/54/536354154.db2.gz JQRICNAUWKGZMH-ZIAGYGMSSA-N 2 1 240.391 1.565 10 0 BDAEMP C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000053204759 536365496 /nfs/dbraw/zinc/36/54/96/536365496.db2.gz JZNCEMXRPIOYIQ-LLVKDONJSA-N 2 1 220.320 1.282 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@]12C[N@H+](C(C)(C)C)CC[C@H]2O ZINC000725245820 538003619 /nfs/dbraw/zinc/00/36/19/538003619.db2.gz MCCRZRVWRPRLMM-WZRBSPASSA-N 2 1 226.364 1.077 10 0 BDAEMP CCOc1ccc([C@@H]2C[NH2+]C[C@]2([NH3+])CC)cc1 ZINC000725262691 566308604 /nfs/dbraw/zinc/30/86/04/566308604.db2.gz CUTKBAGJQFQJNW-UONOGXRCSA-N 2 1 234.343 1.880 10 0 BDAEMP COCC[C@H](C)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757133349 582509847 /nfs/dbraw/zinc/50/98/47/582509847.db2.gz HZBHRYYULRYSCJ-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@]2(CCC[N@H+]2CC2CC2)C1 ZINC000757135112 582514312 /nfs/dbraw/zinc/51/43/12/582514312.db2.gz YVOWYHYXNWAPAQ-WCQYABFASA-N 2 1 208.349 1.860 10 0 BDAEMP CC(=O)c1ccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])cc1 ZINC000757209851 582559762 /nfs/dbraw/zinc/55/97/62/582559762.db2.gz DGRIRFWPDBKPHF-OLZOCXBDSA-N 2 1 218.300 1.293 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]C[C@H](c2cccc3cc[nH]c32)C1 ZINC000757217811 582561864 /nfs/dbraw/zinc/56/18/64/582561864.db2.gz SNRCLOWWJLILMO-MNOVXSKESA-N 2 1 215.300 1.572 10 0 BDAEMP COc1ccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000082364989 582901806 /nfs/dbraw/zinc/90/18/06/582901806.db2.gz LSCGLSNJHNUZCK-DGCLKSJQSA-N 2 1 220.316 1.789 10 0 BDAEMP COc1ccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1 ZINC000082364989 582901810 /nfs/dbraw/zinc/90/18/10/582901810.db2.gz LSCGLSNJHNUZCK-DGCLKSJQSA-N 2 1 220.316 1.789 10 0 BDAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCC1 ZINC000393804244 582926762 /nfs/dbraw/zinc/92/67/62/582926762.db2.gz PCHHCJFMVUMSAZ-LLVKDONJSA-N 2 1 226.364 1.221 10 0 BDAEMP CN1CCC([N@@H+](C)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675053868 583928863 /nfs/dbraw/zinc/92/88/63/583928863.db2.gz OWCMWESDBBMSJW-JSGCOSHPSA-N 2 1 239.407 1.530 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757126402 586425875 /nfs/dbraw/zinc/42/58/75/586425875.db2.gz FNXXCOPAKCPTEF-GFCCVEGCSA-N 2 1 226.364 1.487 10 0 BDAEMP [NH3+]C[C@H]1CC[C@@H](c2ccc(C=O)s2)CN1 ZINC000757211649 586437382 /nfs/dbraw/zinc/43/73/82/586437382.db2.gz HZLOBHZNLCJRHN-RKDXNWHRSA-N 2 1 224.329 1.355 10 0 BDAEMP C[C@@H]1CC[NH2+][C@@H](c2ccc(C[NH3+])cc2)[C@@H]1N ZINC000757213709 586439955 /nfs/dbraw/zinc/43/99/55/586439955.db2.gz LOKYLSVABMXBND-WQAKAFBOSA-N 2 1 219.332 1.143 10 0 BDAEMP C[C@@H]1C[C@@H](c2cccc(N)c2)[NH2+]C[C@H]1[NH3+] ZINC000757219557 586442249 /nfs/dbraw/zinc/44/22/49/586442249.db2.gz YZGQIVIUTCPPDS-FXAINCCUSA-N 2 1 205.305 1.267 10 0 BDAEMP CC(C)(C)n1cc([C@H]2C[C@@H]([NH3+])CC[NH2+]2)cn1 ZINC000757238560 586444054 /nfs/dbraw/zinc/44/40/54/586444054.db2.gz SSGNZIXWFJEPNP-WDEREUQCSA-N 2 1 222.336 1.390 10 0 BDAEMP C([C@H]1CCCO1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257722689 634480544 /nfs/dbraw/zinc/48/05/44/634480544.db2.gz VYBHJVZIKRYIIW-OLZOCXBDSA-N 2 1 224.348 1.241 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309467147 633110423 /nfs/dbraw/zinc/11/04/23/633110423.db2.gz QEJYNWJUTHXEPV-KXNHARMFSA-N 2 1 212.337 1.223 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCCCO)C[C@@H]12 ZINC000309363564 633901236 /nfs/dbraw/zinc/90/12/36/633901236.db2.gz PCIKXUCJLVZGJF-JHJVBQTASA-N 2 1 226.364 1.208 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250827187 635498785 /nfs/dbraw/zinc/49/87/85/635498785.db2.gz YIGJNWGQFWEZSG-UBHSHLNASA-N 2 1 216.328 1.823 10 0 BDAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000227734832 640846530 /nfs/dbraw/zinc/84/65/30/640846530.db2.gz CBDSYINWUZJDLA-RYUDHWBXSA-N 2 1 214.353 1.471 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000228225294 640867022 /nfs/dbraw/zinc/86/70/22/640867022.db2.gz XKKIOZKOSJJZMQ-REWJHTLYSA-N 2 1 238.375 1.757 10 0 BDAEMP CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666787 643363296 /nfs/dbraw/zinc/36/32/96/643363296.db2.gz HDJMCMXHXGGUQM-CHWSQXEVSA-N 2 1 226.364 1.629 10 0 BDAEMP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000094085819 644708026 /nfs/dbraw/zinc/70/80/26/644708026.db2.gz FKOXXKHMPFMPAJ-NWDGAFQWSA-N 2 1 236.363 1.249 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1N(C)C ZINC000251841442 644826737 /nfs/dbraw/zinc/82/67/37/644826737.db2.gz QMAYTBQZRTXGIT-QWHCGFSZSA-N 2 1 227.396 1.387 10 0 BDAEMP C[C@H]1CN(CCCCCC[NH3+])C[C@H]1[NH+](C)C ZINC000251841442 644826739 /nfs/dbraw/zinc/82/67/39/644826739.db2.gz QMAYTBQZRTXGIT-QWHCGFSZSA-N 2 1 227.396 1.387 10 0 BDAEMP CC[NH+]1CCC([NH2+]C2CC(COC)C2)CC1 ZINC000713928937 712473828 /nfs/dbraw/zinc/47/38/28/712473828.db2.gz SUOQHSBKJZKFKE-UHFFFAOYSA-N 2 1 226.364 1.485 10 0 BDAEMP C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C[NH3+] ZINC000714799514 712498472 /nfs/dbraw/zinc/49/84/72/712498472.db2.gz JVZNOJXVMRMKLX-ASEORRQLSA-N 2 1 222.376 1.949 10 0 BDAEMP C[C@H]1C[N@@H+](CCCC(C)(F)F)C[C@@H]1C[NH3+] ZINC000718608707 712773217 /nfs/dbraw/zinc/77/32/17/712773217.db2.gz PWFRBWCFHIJPEH-UWVGGRQHSA-N 2 1 220.307 1.948 10 0 BDAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719210059 712800111 /nfs/dbraw/zinc/80/01/11/712800111.db2.gz BKQWYWOVXXSIRL-OLZOCXBDSA-N 2 1 242.407 1.857 10 0 BDAEMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000723633746 711527727 /nfs/dbraw/zinc/52/77/27/711527727.db2.gz LNVUHCZNLMXOJH-SDDRHHMPSA-N 2 1 235.331 1.461 10 0 BDAEMP CCc1nc(N2C[C@@H](C)[C@H](CC[NH3+])C2)cc(C)[nH+]1 ZINC000723914198 711544585 /nfs/dbraw/zinc/54/45/85/711544585.db2.gz BKWCYFPWJLKYQM-ZYHUDNBSSA-N 2 1 248.374 1.769 10 0 BDAEMP C[N@@H+](C[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000051253024 711637483 /nfs/dbraw/zinc/63/74/83/711637483.db2.gz YOCKBBWSSMATTH-SNVBAGLBSA-N 2 1 200.326 1.082 10 0 BDAEMP CCc1ccccc1[C@@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000669384789 711790253 /nfs/dbraw/zinc/79/02/53/711790253.db2.gz GJKUXNJHBZCHMH-QWHCGFSZSA-N 2 1 204.317 1.653 10 0 BDAEMP C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700403418 711992431 /nfs/dbraw/zinc/99/24/31/711992431.db2.gz INRYKXFDOQSIEW-QWHCGFSZSA-N 2 1 226.364 1.487 10 0 BDAEMP C[N@@H+]1C[C@]2(C)C[NH+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000706257400 712142862 /nfs/dbraw/zinc/14/28/62/712142862.db2.gz SPKABRCRXUVSJF-BETUJISGSA-N 2 1 238.375 1.175 10 0 BDAEMP C[N@H+]1C[C@]2(C)C[NH+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000706257400 712142863 /nfs/dbraw/zinc/14/28/63/712142863.db2.gz SPKABRCRXUVSJF-BETUJISGSA-N 2 1 238.375 1.175 10 0 BDAEMP C[NH+]1C[C@]2(C)C[N@H+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000706257400 712142864 /nfs/dbraw/zinc/14/28/64/712142864.db2.gz SPKABRCRXUVSJF-BETUJISGSA-N 2 1 238.375 1.175 10 0 BDAEMP C[NH+]1C[C@]2(C)C[N@@H+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000706257400 712142866 /nfs/dbraw/zinc/14/28/66/712142866.db2.gz SPKABRCRXUVSJF-BETUJISGSA-N 2 1 238.375 1.175 10 0 BDAEMP CCc1nc(NC[C@H]2C[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000715145383 712511770 /nfs/dbraw/zinc/51/17/70/712511770.db2.gz DNZGLADMPYPVSQ-AOOOYVTPSA-N 2 1 220.320 1.497 10 0 BDAEMP COCC(C)(C)CC[NH2+][C@H]1CC[NH2+]C1 ZINC000718768691 712781737 /nfs/dbraw/zinc/78/17/37/712781737.db2.gz ISWWFNNZYRCNPO-JTQLQIEISA-N 2 1 200.326 1.001 10 0 BDAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955095 538900059 /nfs/dbraw/zinc/90/00/59/538900059.db2.gz SVAUVUOTFVCPRE-QNWHQSFQSA-N 2 1 226.364 1.756 10 0 BDAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@]12CCCSC2 ZINC000685955220 538900983 /nfs/dbraw/zinc/90/09/83/538900983.db2.gz WJEVZOCOEZQWOT-GHMZBOCLSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(F)c1F ZINC000685965906 538910026 /nfs/dbraw/zinc/91/00/26/538910026.db2.gz YLCMXWWJKJLFRH-LDYMZIIASA-N 2 1 212.243 1.369 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000685965374 538912019 /nfs/dbraw/zinc/91/20/19/538912019.db2.gz BSCQCVYLXBUAJA-WRWORJQWSA-N 2 1 230.233 1.508 10 0 BDAEMP Cc1ccc(C)c([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965674 538912317 /nfs/dbraw/zinc/91/23/17/538912317.db2.gz OINPOFKNJKKFPT-CHWSQXEVSA-N 2 1 204.317 1.708 10 0 BDAEMP Cc1ccc(F)c([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965733 538912330 /nfs/dbraw/zinc/91/23/30/538912330.db2.gz QHAPFTDTEDQCPS-PWSUYJOCSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1ccc(F)cc1[C@@H]1C[NH2+]C[C@@]1(C)[NH3+] ZINC000685965670 538912370 /nfs/dbraw/zinc/91/23/70/538912370.db2.gz OGNGHKJBJXAVQB-NWDGAFQWSA-N 2 1 208.280 1.538 10 0 BDAEMP CCC(CC)(C[NH3+])[N@@H+](CCOC)[C@H](C)COC ZINC000042606624 168322541 /nfs/dbraw/zinc/32/25/41/168322541.db2.gz YBKSGOKPDISXDK-GFCCVEGCSA-N 2 1 246.395 1.487 10 0 BDAEMP CCc1nc(N2CC[C@H]([NH3+])[C@H](CC)C2)cc(C)[nH+]1 ZINC000385458398 398164183 /nfs/dbraw/zinc/16/41/83/398164183.db2.gz SUESKIOCODAWHY-NEPJUHHUSA-N 2 1 248.374 1.911 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000378763263 346828354 /nfs/dbraw/zinc/82/83/54/346828354.db2.gz BWICRPDCUDVSFF-GRYCIOLGSA-N 2 1 212.337 1.238 10 0 BDAEMP CCC(CC)[N@H+](CCOC)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042616095 168375619 /nfs/dbraw/zinc/37/56/19/168375619.db2.gz IGJLLRRLISCDTI-QWHCGFSZSA-N 2 1 244.379 1.240 10 0 BDAEMP CCC(CC)[N@@H+](CCOC)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042616095 168375622 /nfs/dbraw/zinc/37/56/22/168375622.db2.gz IGJLLRRLISCDTI-QWHCGFSZSA-N 2 1 244.379 1.240 10 0 BDAEMP CCC(CC)[N@@H+](CCOC)[C@](C)(CN)COC ZINC000053198561 168376208 /nfs/dbraw/zinc/37/62/08/168376208.db2.gz SPDVESTWMASUGR-CYBMUJFWSA-N 2 1 246.395 1.487 10 0 BDAEMP CCC(CC)[N@@H+](CCOC)[C@](C)(C[NH3+])COC ZINC000053198561 168376211 /nfs/dbraw/zinc/37/62/11/168376211.db2.gz SPDVESTWMASUGR-CYBMUJFWSA-N 2 1 246.395 1.487 10 0 BDAEMP C1CC([N@H+]2CCCSCC2)CC[NH2+]1 ZINC000043501217 343098859 /nfs/dbraw/zinc/09/88/59/343098859.db2.gz JWQZNXMBIXOLQM-UHFFFAOYSA-N 2 1 200.351 1.177 10 0 BDAEMP C(C[NH+]1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000042171930 343430317 /nfs/dbraw/zinc/43/03/17/343430317.db2.gz LQNSVTPQPRGKNO-SNVBAGLBSA-N 2 1 200.351 1.177 10 0 BDAEMP CCOC[C@H]1C[N@H+](CC[NH3+])CC12CCC2 ZINC000409427871 343802160 /nfs/dbraw/zinc/80/21/60/343802160.db2.gz FQYLTCLHHJVNPR-LLVKDONJSA-N 2 1 212.337 1.084 10 0 BDAEMP CCOC[C@H]1C[N@@H+](CC[NH3+])CC12CCC2 ZINC000409427871 343802161 /nfs/dbraw/zinc/80/21/61/343802161.db2.gz FQYLTCLHHJVNPR-LLVKDONJSA-N 2 1 212.337 1.084 10 0 BDAEMP [NH3+]CCC[N@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409427988 343802494 /nfs/dbraw/zinc/80/24/94/343802494.db2.gz LNEXUDFHYZDEGV-UWVGGRQHSA-N 2 1 218.291 1.702 10 0 BDAEMP CCC[C@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409436402 343839322 /nfs/dbraw/zinc/83/93/22/343839322.db2.gz ZPSDJSYCRWWVGS-AAEUAGOBSA-N 2 1 226.364 1.221 10 0 BDAEMP CS[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000235234481 343874850 /nfs/dbraw/zinc/87/48/50/343874850.db2.gz WGHFUQMXIFQCRP-HBNTYKKESA-N 2 1 214.378 1.551 10 0 BDAEMP CS[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000235122549 344804312 /nfs/dbraw/zinc/80/43/12/344804312.db2.gz NRLRLLWGAAQXOK-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 ZINC000235122549 344804314 /nfs/dbraw/zinc/80/43/14/344804314.db2.gz NRLRLLWGAAQXOK-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1SCC[C@]1(C[NH3+])[NH2+]Cc1ccccc1 ZINC000235669531 344975240 /nfs/dbraw/zinc/97/52/40/344975240.db2.gz SKDRZRUXEVYVDO-DGCLKSJQSA-N 2 1 236.384 1.999 10 0 BDAEMP C[C@@H](c1ccccn1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248085405 345035757 /nfs/dbraw/zinc/03/57/57/345035757.db2.gz RQWNGGPHIKFGSX-RYUDHWBXSA-N 2 1 219.332 1.684 10 0 BDAEMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248085405 345035758 /nfs/dbraw/zinc/03/57/58/345035758.db2.gz RQWNGGPHIKFGSX-RYUDHWBXSA-N 2 1 219.332 1.684 10 0 BDAEMP COC1(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000634998290 345198073 /nfs/dbraw/zinc/19/80/73/345198073.db2.gz CYQZLRRFPCUXBB-RYUDHWBXSA-N 2 1 226.364 1.472 10 0 BDAEMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999132 345199603 /nfs/dbraw/zinc/19/96/03/345199603.db2.gz QLGUGBDWRMXHNN-CABZTGNLSA-N 2 1 236.363 1.064 10 0 BDAEMP CCc1nc(N[C@H](CC[NH3+])C(F)F)cc(C)[nH+]1 ZINC000394828986 323085776 /nfs/dbraw/zinc/08/57/76/323085776.db2.gz YTPQCZGVKQYTIT-MRVPVSSYSA-N 2 1 244.289 1.164 10 0 BDAEMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH3+] ZINC000227728859 345354968 /nfs/dbraw/zinc/35/49/68/345354968.db2.gz RHRZYVGYHZTHSN-VHSXEESVSA-N 2 1 245.367 1.227 10 0 BDAEMP C[C@H]1SCC[N@@H+](CC(C)(C)C[NH3+])[C@@H]1C ZINC000132516912 345333987 /nfs/dbraw/zinc/33/39/87/345333987.db2.gz IMUVDYHGCWHFGV-NXEZZACHSA-N 2 1 216.394 1.797 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](OC)C1 ZINC000300036459 346404363 /nfs/dbraw/zinc/40/43/63/346404363.db2.gz AOSBVVSLGHDUGI-TUAOUCFPSA-N 2 1 212.337 1.238 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](OC)C1 ZINC000300036459 346404366 /nfs/dbraw/zinc/40/43/66/346404366.db2.gz AOSBVVSLGHDUGI-TUAOUCFPSA-N 2 1 212.337 1.238 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCCSCC2)CCC1 ZINC000168530259 346737065 /nfs/dbraw/zinc/73/70/65/346737065.db2.gz RCEGAUUBHYOKEU-UHFFFAOYSA-N 2 1 214.378 1.554 10 0 BDAEMP CCSCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601327650 347214120 /nfs/dbraw/zinc/21/41/20/347214120.db2.gz YEDCWDNMBRIGAL-UWVGGRQHSA-N 2 1 202.367 1.266 10 0 BDAEMP Cc1[nH+]ccn1[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569141 347591430 /nfs/dbraw/zinc/59/14/30/347591430.db2.gz ICFSJXACYJPGPQ-ZCFIWIBFSA-N 2 1 243.179 1.889 10 0 BDAEMP CCc1c(C)[nH+]c2ccc(NC(=O)C[NH3+])cn21 ZINC000616570859 348075724 /nfs/dbraw/zinc/07/57/24/348075724.db2.gz ADXWIRLBLOMARZ-UHFFFAOYSA-N 2 1 232.287 1.102 10 0 BDAEMP Cc1ccc(C[C@@H]2C[N@@H+](C)CC[C@H]2[NH3+])cc1 ZINC000251511281 362883470 /nfs/dbraw/zinc/88/34/70/362883470.db2.gz ZXIGWTDJDQHKDK-ZIAGYGMSSA-N 2 1 218.344 1.817 10 0 BDAEMP Cc1[nH+]ccn1-c1c(F)cc(C[NH3+])cc1F ZINC000062719557 180227491 /nfs/dbraw/zinc/22/74/91/180227491.db2.gz WIJWIWZKLLGLCJ-UHFFFAOYSA-N 2 1 223.226 1.918 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348733 180272570 /nfs/dbraw/zinc/27/25/70/180272570.db2.gz CXZBRRLHPOKYMP-BXKDBHETSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1cccc(O)c1 ZINC000011848613 180265387 /nfs/dbraw/zinc/26/53/87/180265387.db2.gz YUMVOKUAFBQYPR-GFCCVEGCSA-N 2 1 217.272 1.597 10 0 BDAEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccccc1 ZINC000038827577 180269247 /nfs/dbraw/zinc/26/92/47/180269247.db2.gz GGLKIQQHALXVBY-LBPRGKRZSA-N 2 1 201.273 1.892 10 0 BDAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2cccnc2)c1C ZINC000051925640 180288640 /nfs/dbraw/zinc/28/86/40/180288640.db2.gz GNOZSDJBFHYNER-LBPRGKRZSA-N 2 1 216.288 1.443 10 0 BDAEMP Cc1[nH+]cn([C@@H](c2ccncc2)[C@@H](C)[NH3+])c1C ZINC000051925703 180289883 /nfs/dbraw/zinc/28/98/83/180289883.db2.gz QZQPXOQPNRXQNF-NOZJJQNGSA-N 2 1 230.315 1.832 10 0 BDAEMP CCC[C@@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409436403 350478560 /nfs/dbraw/zinc/47/85/60/350478560.db2.gz ZPSDJSYCRWWVGS-DGCLKSJQSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)CS1 ZINC000227511634 350499223 /nfs/dbraw/zinc/49/92/23/350499223.db2.gz IUWMNDJUCBIQQQ-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]([NH3+])CCNc1[nH]c2ccccc2[nH+]1 ZINC000063171565 350574607 /nfs/dbraw/zinc/57/46/07/350574607.db2.gz OLLSBEZDAABMFQ-MRVPVSSYSA-N 2 1 204.277 1.712 10 0 BDAEMP CNc1ccc([C@H]2CCC[N@@H+]2CCN)cc1 ZINC000616608517 350804356 /nfs/dbraw/zinc/80/43/56/350804356.db2.gz UTHGIIDSTMUVQS-CYBMUJFWSA-N 2 1 219.332 1.824 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@H]1CC[C@@H]1C[NH3+] ZINC000251847104 350904924 /nfs/dbraw/zinc/90/49/24/350904924.db2.gz RAJRFBCWWDRINF-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP CC(C)[C@H](C)[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252691539 350913969 /nfs/dbraw/zinc/91/39/69/350913969.db2.gz YIKCLCIPUYALHV-DCAQKATOSA-N 2 1 200.326 1.079 10 0 BDAEMP CNC(=[NH2+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000306719111 350880599 /nfs/dbraw/zinc/88/05/99/350880599.db2.gz JXPDSXSQRXXRRK-YPMHNXCESA-N 2 1 246.358 1.251 10 0 BDAEMP [NH3+]C1CC(Nc2cc[nH+]cc2Br)C1 ZINC000159886422 351021709 /nfs/dbraw/zinc/02/17/09/351021709.db2.gz LNJWQPHVWQATJY-UHFFFAOYSA-N 2 1 242.120 1.746 10 0 BDAEMP C[C@H]1CC[N@H+](CC2([NH3+])CC2)CCS1 ZINC000306851830 351175573 /nfs/dbraw/zinc/17/55/73/351175573.db2.gz REDQQEZBWOHASO-VIFPVBQESA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1CC[N@@H+](CC2([NH3+])CC2)CCS1 ZINC000306851830 351175574 /nfs/dbraw/zinc/17/55/74/351175574.db2.gz REDQQEZBWOHASO-VIFPVBQESA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CC[N@@H+](C2(C[NH3+])CSC2)[C@@H]1C ZINC000306879497 351271478 /nfs/dbraw/zinc/27/14/78/351271478.db2.gz GKCCHKQTCALSEX-RKDXNWHRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@H+](C2(C[NH3+])CSC2)[C@@H]1C ZINC000306879497 351271481 /nfs/dbraw/zinc/27/14/81/351271481.db2.gz GKCCHKQTCALSEX-RKDXNWHRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1C[N@H+](C2CSC2)C[C@@]1(C)C[NH3+] ZINC000307030469 351431357 /nfs/dbraw/zinc/43/13/57/351431357.db2.gz PNHLAICTZZPUTE-WCBMZHEXSA-N 2 1 200.351 1.019 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CSC2(C)C)C1 ZINC000307147503 351500402 /nfs/dbraw/zinc/50/04/02/351500402.db2.gz IBIVVSRILBBTMQ-ZJUUUORDSA-N 2 1 214.378 1.422 10 0 BDAEMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCSC2)C[NH2+]1 ZINC000307190974 351592633 /nfs/dbraw/zinc/59/26/33/351592633.db2.gz AEGZRYVVCSJTFX-BBBLOLIVSA-N 2 1 200.351 1.222 10 0 BDAEMP CC1(C)SC[C@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000307317523 351991421 /nfs/dbraw/zinc/99/14/21/351991421.db2.gz OQNIXEQNFXSGAI-SECBINFHSA-N 2 1 200.351 1.176 10 0 BDAEMP CC1(C)SC[C@H]1[N@H+]1CCC[NH2+]CC1 ZINC000307317523 351991425 /nfs/dbraw/zinc/99/14/25/351991425.db2.gz OQNIXEQNFXSGAI-SECBINFHSA-N 2 1 200.351 1.176 10 0 BDAEMP [NH3+]CCc1nc2c(s1)C[N@@H+](CC1CC1)CC2 ZINC000725270525 538102168 /nfs/dbraw/zinc/10/21/68/538102168.db2.gz AQESZJAOORTYQQ-UHFFFAOYSA-N 2 1 237.372 1.412 10 0 BDAEMP CC[C@@H]1C[N@@H+]([C@H](C)[C@H](C)[NH3+])CCCO1 ZINC000300911720 363120742 /nfs/dbraw/zinc/12/07/42/363120742.db2.gz OYFZTHZLWJZPHB-HBNTYKKESA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@@H]1C[N@H+]([C@H](C)[C@H](C)[NH3+])CCCO1 ZINC000300911720 363120747 /nfs/dbraw/zinc/12/07/47/363120747.db2.gz OYFZTHZLWJZPHB-HBNTYKKESA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@@H]1CSCC[N@H+]([C@@H]2CC[C@H]2C[NH3+])C1 ZINC000307461987 352611060 /nfs/dbraw/zinc/61/10/60/352611060.db2.gz GAATWQHDLFUULT-GARJFASQSA-N 2 1 214.378 1.409 10 0 BDAEMP CCC[C@@H](C)C(=O)N1CC[NH+]=C1CC[NH2+]C ZINC000725272815 538104677 /nfs/dbraw/zinc/10/46/77/538104677.db2.gz RNNNPJGDMPCOIM-SNVBAGLBSA-N 2 1 225.336 1.273 10 0 BDAEMP C[C@H]1CCC[N@H+](C2CCN(CC[NH3+])CC2)[C@H]1C ZINC000725273883 538104763 /nfs/dbraw/zinc/10/47/63/538104763.db2.gz PUFBTIVFNBPWMY-STQMWFEESA-N 2 1 239.407 1.530 10 0 BDAEMP C[C@H]1CSCC[N@@H+](C2(C[NH3+])CC2)C1 ZINC000307560163 352649265 /nfs/dbraw/zinc/64/92/65/352649265.db2.gz HCUHSTGOATXQGR-SECBINFHSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H]1CSCC[N@H+](C2(C[NH3+])CC2)C1 ZINC000307560163 352649266 /nfs/dbraw/zinc/64/92/66/352649266.db2.gz HCUHSTGOATXQGR-SECBINFHSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H](C[NH3+])[C@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000307494433 352624850 /nfs/dbraw/zinc/62/48/50/352624850.db2.gz HTHLDRSEOCTVEW-MXWKQRLJSA-N 2 1 216.394 1.797 10 0 BDAEMP CC[C@H](CC[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036231973 188278597 /nfs/dbraw/zinc/27/85/97/188278597.db2.gz CCKHOKZPWFZOOE-SNVBAGLBSA-N 2 1 200.326 1.225 10 0 BDAEMP CC(C)[C@@](C)(C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000042392018 188293308 /nfs/dbraw/zinc/29/33/08/188293308.db2.gz QMZAKXQUMKTSBY-CQSZACIVSA-N 2 1 241.423 1.633 10 0 BDAEMP CC(C)[N@H+]1CC[C@@H](CN2CCC([NH3+])CC2)C1 ZINC000045135347 188298130 /nfs/dbraw/zinc/29/81/30/188298130.db2.gz DNLQGFSHAVWUKW-LBPRGKRZSA-N 3 1 225.380 1.140 10 0 BDAEMP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557090 188298754 /nfs/dbraw/zinc/29/87/54/188298754.db2.gz MNCUGTAZJFHDCT-RYUDHWBXSA-N 2 1 243.395 1.077 10 0 BDAEMP COc1ccc(CC[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC000049660988 188299211 /nfs/dbraw/zinc/29/92/11/188299211.db2.gz GSIGOGLHJDZEAA-CYBMUJFWSA-N 2 1 248.370 1.779 10 0 BDAEMP COc1ccc(CC[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC000049660988 188299213 /nfs/dbraw/zinc/29/92/13/188299213.db2.gz GSIGOGLHJDZEAA-CYBMUJFWSA-N 2 1 248.370 1.779 10 0 BDAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@H](C)C2)on1 ZINC000052484445 188333991 /nfs/dbraw/zinc/33/39/91/188333991.db2.gz LCPVAOCMSSWCKQ-VIFPVBQESA-N 2 1 209.293 1.236 10 0 BDAEMP CC(C)CCOCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515165 355252117 /nfs/dbraw/zinc/25/21/17/355252117.db2.gz DDHRTXQVFGODCY-CQSZACIVSA-N 2 1 242.407 1.933 10 0 BDAEMP NC(=[NH2+])CC[N@@H+](CCCn1ccnc1)C1CC1 ZINC000042548203 181186463 /nfs/dbraw/zinc/18/64/63/181186463.db2.gz NPWPQQGORREAOK-UHFFFAOYSA-N 2 1 235.335 1.064 10 0 BDAEMP CC[C@@H]1C[NH2+]CC[C@@]12[NH2+]C[C@@H](C)S2 ZINC000229823189 355419314 /nfs/dbraw/zinc/41/93/14/355419314.db2.gz ZOEOERQUHSEHKU-BBBLOLIVSA-N 2 1 200.351 1.427 10 0 BDAEMP NC(=[NH2+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000100420196 181192320 /nfs/dbraw/zinc/19/23/20/181192320.db2.gz VAIVSKGFZNXHER-LLVKDONJSA-N 2 1 203.289 1.444 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059685 538484795 /nfs/dbraw/zinc/48/47/95/538484795.db2.gz UERZXALTOQTKPN-OAHLLOKOSA-N 2 1 248.370 1.706 10 0 BDAEMP CO[C@@H]1CCC[C@H](C2=C[C@@H]([NH3+])C[NH2+]C2)C1 ZINC000675079080 538517295 /nfs/dbraw/zinc/51/72/95/538517295.db2.gz VRYATGLTLPDFGY-MVWJERBFSA-N 2 1 210.321 1.049 10 0 BDAEMP N[C@@H]1C=C(c2ccc(Cl)cc2F)C[NH2+]C1 ZINC000675079348 538517603 /nfs/dbraw/zinc/51/76/03/538517603.db2.gz XVTBDVTVHHOGHL-SECBINFHSA-N 2 1 226.682 1.793 10 0 BDAEMP CO[C@@H]1CCC[C@H](C2=C[C@H]([NH3+])C[NH2+]C2)C1 ZINC000675079082 538518223 /nfs/dbraw/zinc/51/82/23/538518223.db2.gz VRYATGLTLPDFGY-ZMLRMANQSA-N 2 1 210.321 1.049 10 0 BDAEMP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000156012872 538751150 /nfs/dbraw/zinc/75/11/50/538751150.db2.gz VEOJNDLOADDGJY-REWJHTLYSA-N 2 1 238.375 1.506 10 0 BDAEMP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000231323816 357612948 /nfs/dbraw/zinc/61/29/48/357612948.db2.gz IPBXABXIZGPSES-STQMWFEESA-N 2 1 236.363 1.264 10 0 BDAEMP COC(=O)[C@H](C)[NH2+]C1CCC(C)(C[NH3+])CC1 ZINC000685946543 538885641 /nfs/dbraw/zinc/88/56/41/538885641.db2.gz SAPLWGASHAZRHK-BMQDGWLCSA-N 2 1 228.336 1.045 10 0 BDAEMP Cc1cc(C)cc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685945872 538887309 /nfs/dbraw/zinc/88/73/09/538887309.db2.gz CYNDZIVRLDWZLB-STQMWFEESA-N 2 1 204.317 1.708 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1C ZINC000685945821 538887350 /nfs/dbraw/zinc/88/73/50/538887350.db2.gz BQERXUYRJXPKFE-WCQYABFASA-N 2 1 220.316 1.408 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)C1[N@@H+]1CCOCC1(C)C ZINC000685950915 538894669 /nfs/dbraw/zinc/89/46/69/538894669.db2.gz HVTAXKVHOJKSHE-QWRGUYRKSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@H]1C[NH2+]C[C@H](C)C1[N@H+]1CCOCC1(C)C ZINC000685950915 538894670 /nfs/dbraw/zinc/89/46/70/538894670.db2.gz HVTAXKVHOJKSHE-QWRGUYRKSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168739471 134247601 /nfs/dbraw/zinc/24/76/01/134247601.db2.gz DLIRHVAOVDOZKZ-NEPJUHHUSA-N 3 1 213.369 1.058 10 0 BDAEMP C[NH2+][C@@H]1C[C@]2(CCCO2)CC[C@H]1[NH+]1CCCC1 ZINC000584620503 358287260 /nfs/dbraw/zinc/28/72/60/358287260.db2.gz RAXWFJLWEVRORF-MCIONIFRSA-N 2 1 238.375 1.772 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000226226553 358335745 /nfs/dbraw/zinc/33/57/45/358335745.db2.gz UPKNQDIAOVAOOI-MRVWCRGKSA-N 2 1 238.375 1.364 10 0 BDAEMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC(C)(C)C)CCO1 ZINC000169122339 359313634 /nfs/dbraw/zinc/31/36/34/359313634.db2.gz ZIWHWABIUMUCOQ-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC(C)(C)C)CCO1 ZINC000169122339 359313637 /nfs/dbraw/zinc/31/36/37/359313637.db2.gz ZIWHWABIUMUCOQ-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP [NH3+][C@H]1C=C[C@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000306241458 359421185 /nfs/dbraw/zinc/42/11/85/359421185.db2.gz RGXTZNIZALDUNX-IUCAKERBSA-N 2 1 202.248 1.231 10 0 BDAEMP [NH3+][C@H]1C=C[C@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000306241458 359421188 /nfs/dbraw/zinc/42/11/88/359421188.db2.gz RGXTZNIZALDUNX-IUCAKERBSA-N 2 1 202.248 1.231 10 0 BDAEMP CNC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000306395372 359760670 /nfs/dbraw/zinc/76/06/70/359760670.db2.gz JKGJRRSDMLPART-WCQYABFASA-N 2 1 246.358 1.393 10 0 BDAEMP CC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306416167 359825167 /nfs/dbraw/zinc/82/51/67/359825167.db2.gz QMSJYPDNODVAMN-CYBMUJFWSA-N 2 1 217.316 1.848 10 0 BDAEMP CC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000306416167 359825170 /nfs/dbraw/zinc/82/51/70/359825170.db2.gz QMSJYPDNODVAMN-CYBMUJFWSA-N 2 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CCC[NH2+][C@H]1CCN([C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000049216660 169291997 /nfs/dbraw/zinc/29/19/97/169291997.db2.gz OIMHXEANWDZBSY-UONOGXRCSA-N 2 1 239.407 1.545 10 0 BDAEMP CCC[C@@H](C[NH3+])[N@@H+]1CCCO[C@H](C)C1 ZINC000061916118 169383582 /nfs/dbraw/zinc/38/35/82/169383582.db2.gz KUCPNRQYCKYACU-MNOVXSKESA-N 2 1 200.326 1.225 10 0 BDAEMP CCC[C@@H](C[NH3+])[N@H+]1CCCO[C@H](C)C1 ZINC000061916118 169383583 /nfs/dbraw/zinc/38/35/83/169383583.db2.gz KUCPNRQYCKYACU-MNOVXSKESA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@@H]1C[C@H](NC2=[NH+]CCS2)CC[N@H+]1C ZINC000158710696 384127305 /nfs/dbraw/zinc/12/73/05/384127305.db2.gz LMCODEDACMHMAB-RKDXNWHRSA-N 2 1 213.350 1.162 10 0 BDAEMP Clc1ncc(C[NH2+]C[C@H]2CC[NH2+]C2)s1 ZINC000095070203 384336334 /nfs/dbraw/zinc/33/63/34/384336334.db2.gz HAHSJENMPRBAGR-ZETCQYMHSA-N 2 1 231.752 1.496 10 0 BDAEMP Cn1nccc1[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1C1CC1 ZINC000159907325 384370005 /nfs/dbraw/zinc/37/00/05/384370005.db2.gz CLQJJIMBCJTEAB-GWCFXTLKSA-N 2 1 234.347 1.294 10 0 BDAEMP Cn1nccc1[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C1CC1 ZINC000159907325 384370009 /nfs/dbraw/zinc/37/00/09/384370009.db2.gz CLQJJIMBCJTEAB-GWCFXTLKSA-N 2 1 234.347 1.294 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@H]1CCSC1)C2 ZINC000376470373 384872217 /nfs/dbraw/zinc/87/22/17/384872217.db2.gz CBAVOUXWDFHGBB-GHMZBOCLSA-N 2 1 237.372 1.541 10 0 BDAEMP [NH3+][C@H]1CCC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000335581043 384934613 /nfs/dbraw/zinc/93/46/13/384934613.db2.gz MBAXLSRXZRNBMI-DTWKUNHWSA-N 2 1 225.723 1.839 10 0 BDAEMP C[C@@H]1CS[C@@]2(CC[N@H+](C)[C@@H](C)C2)[NH2+]1 ZINC000156983569 385479444 /nfs/dbraw/zinc/47/94/44/385479444.db2.gz ZFGVOHFYUDSZBE-KXUCPTDWSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@@H]1CS[C@@]2(CC[N@@H+](C)[C@@H](C)C2)[NH2+]1 ZINC000156983569 385479446 /nfs/dbraw/zinc/47/94/46/385479446.db2.gz ZFGVOHFYUDSZBE-KXUCPTDWSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000183100036 385508243 /nfs/dbraw/zinc/50/82/43/385508243.db2.gz HUJJEEFBVASECJ-AVGNSLFASA-N 2 1 226.364 1.628 10 0 BDAEMP CC1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000643029345 385524121 /nfs/dbraw/zinc/52/41/21/385524121.db2.gz QOVGNXQURKMDTR-UHFFFAOYSA-N 2 1 231.303 1.276 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000309427457 385578737 /nfs/dbraw/zinc/57/87/37/385578737.db2.gz AXTCYQPPMGBIPL-CMPLNLGQSA-N 2 1 219.332 1.976 10 0 BDAEMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cnn1C ZINC000228338277 385667101 /nfs/dbraw/zinc/66/71/01/385667101.db2.gz TXTSTPCJCKTJFC-BXKDBHETSA-N 2 1 222.336 1.040 10 0 BDAEMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cnn1C ZINC000228338277 385667110 /nfs/dbraw/zinc/66/71/10/385667110.db2.gz TXTSTPCJCKTJFC-BXKDBHETSA-N 2 1 222.336 1.040 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]C1CCCC1)C2 ZINC000309644664 385768410 /nfs/dbraw/zinc/76/84/10/385768410.db2.gz VOXNCZRWMIWWTM-NSHDSACASA-N 2 1 219.332 1.978 10 0 BDAEMP c1ccc(C[N@@H+]2CC[C@@H](CNC3COC3)C2)cc1 ZINC000309652236 385770337 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C[C@@H]1CSC[C@@H]1[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000575590164 387204418 /nfs/dbraw/zinc/20/44/18/387204418.db2.gz GIUXMMKZRFVOAA-KATARQTJSA-N 2 1 200.351 1.159 10 0 BDAEMP CC1C[NH+]([C@@]2(CN)CCCSC2)C1 ZINC000575493997 387286993 /nfs/dbraw/zinc/28/69/93/387286993.db2.gz NIWXEIXTXCGNJT-SNVBAGLBSA-N 2 1 200.351 1.163 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000575601544 387358880 /nfs/dbraw/zinc/35/88/80/387358880.db2.gz HKRGHGVKRMLJMQ-RWMBFGLXSA-N 2 1 225.380 1.330 10 0 BDAEMP CCN1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000575601544 387358885 /nfs/dbraw/zinc/35/88/85/387358885.db2.gz HKRGHGVKRMLJMQ-RWMBFGLXSA-N 2 1 225.380 1.330 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643464303 387360896 /nfs/dbraw/zinc/36/08/96/387360896.db2.gz UOJSQUIPFZRCNF-MJBXVCDLSA-N 2 1 241.423 1.694 10 0 BDAEMP C[C@H]1C[C@]2(CC[NH2+]1)[NH2+]C(C)(C)CS2 ZINC000575511825 387383372 /nfs/dbraw/zinc/38/33/72/387383372.db2.gz JQUUOTHALADLAD-WCBMZHEXSA-N 2 1 200.351 1.570 10 0 BDAEMP C[C@@H]1CS[C@@](C)([C@@H]2CCC[NH2+]C2)[NH2+]1 ZINC000575518234 387435742 /nfs/dbraw/zinc/43/57/42/387435742.db2.gz RJTGZRDOQQLQQD-BBBLOLIVSA-N 2 1 200.351 1.427 10 0 BDAEMP [NH2+]=C(NO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575521485 387452996 /nfs/dbraw/zinc/45/29/96/387452996.db2.gz WZIHRXWSUNQVMQ-NSHDSACASA-N 2 1 219.288 1.465 10 0 BDAEMP C(CN1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000245697552 387973347 /nfs/dbraw/zinc/97/33/47/387973347.db2.gz WZFYMMCIGVUEMC-AWEZNQCLSA-N 2 1 237.391 1.252 10 0 BDAEMP COCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336661362 388102250 /nfs/dbraw/zinc/10/22/50/388102250.db2.gz CBUSRTOBUSMZQS-NNYUYHANSA-N 2 1 212.337 1.081 10 0 BDAEMP CCC(C)(C)[N@H+](C)[C@H]1COCC[C@H]1[NH3+] ZINC000251246928 388282522 /nfs/dbraw/zinc/28/25/22/388282522.db2.gz JOQWDPJVWMAHFN-ZJUUUORDSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC(C)(C)[N@@H+](C)[C@H]1COCC[C@H]1[NH3+] ZINC000251246928 388282523 /nfs/dbraw/zinc/28/25/23/388282523.db2.gz JOQWDPJVWMAHFN-ZJUUUORDSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@@H]([NH3+])C[C@@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000165732073 388410666 /nfs/dbraw/zinc/41/06/66/388410666.db2.gz ZTJJLXWWAVVRHG-RKDXNWHRSA-N 2 1 223.324 1.080 10 0 BDAEMP [NH3+][C@@H]1C[C@@H]([NH2+]CCn2cncn2)c2ccccc21 ZINC000362976773 388562633 /nfs/dbraw/zinc/56/26/33/388562633.db2.gz LSAVYUVTZCILDA-CHWSQXEVSA-N 2 1 243.314 1.013 10 0 BDAEMP CC[C@@H]1CS[C@]2(CC[NH2+][C@@H](C)C2)[NH2+]1 ZINC000575511527 389008530 /nfs/dbraw/zinc/00/85/30/389008530.db2.gz FQUFPUKVWBSGLK-AEJSXWLSSA-N 2 1 200.351 1.570 10 0 BDAEMP C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400515198 533360750 /nfs/dbraw/zinc/36/07/50/533360750.db2.gz KJGSXJWNPURUCF-VXGBXAGGSA-N 2 1 225.380 1.058 10 0 BDAEMP Cc1ccc(N2CCC[C@@H](C[NH3+])C2)[nH+]c1 ZINC000044531798 132354487 /nfs/dbraw/zinc/35/44/87/132354487.db2.gz MUJULEPYWPZEPE-NSHDSACASA-N 2 1 205.305 1.565 10 0 BDAEMP C[C@@H]1CCN(c2cc[nH+]c(N(C)C)n2)[C@@H](C[NH3+])C1 ZINC000235370932 132395570 /nfs/dbraw/zinc/39/55/70/132395570.db2.gz YPECDVSJVVNXHR-GHMZBOCLSA-N 2 1 249.362 1.106 10 0 BDAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168739193 134247832 /nfs/dbraw/zinc/24/78/32/134247832.db2.gz DLIRHVAOVDOZKZ-NWDGAFQWSA-N 3 1 213.369 1.058 10 0 BDAEMP Cc1cc(N2CCC[N@H+](C3CC3)CC2)nc(C)n1 ZINC000171831523 134260910 /nfs/dbraw/zinc/26/09/10/134260910.db2.gz GMKLTEWXXVXSGE-UHFFFAOYSA-N 2 1 246.358 1.768 10 0 BDAEMP C[N@@H+](C[C@H](O)C(C)(C)C)C[C@@H]1CC[NH+](C)C1 ZINC000070823127 135012785 /nfs/dbraw/zinc/01/27/85/135012785.db2.gz QRFLDTMKYYXGQU-NEPJUHHUSA-N 2 1 228.380 1.277 10 0 BDAEMP C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823127 135012787 /nfs/dbraw/zinc/01/27/87/135012787.db2.gz QRFLDTMKYYXGQU-NEPJUHHUSA-N 2 1 228.380 1.277 10 0 BDAEMP C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070823127 135012789 /nfs/dbraw/zinc/01/27/89/135012789.db2.gz QRFLDTMKYYXGQU-NEPJUHHUSA-N 2 1 228.380 1.277 10 0 BDAEMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]C1 ZINC000252092035 135083516 /nfs/dbraw/zinc/08/35/16/135083516.db2.gz DUSAGAPADCQHOE-STQMWFEESA-N 2 1 225.380 1.202 10 0 BDAEMP CCC1(C[NH2+]C[C@@H](C)[NH2+]C)CCOCC1 ZINC000261531652 135160534 /nfs/dbraw/zinc/16/05/34/135160534.db2.gz HKCSOOLLNQVJIN-LLVKDONJSA-N 2 1 214.353 1.391 10 0 BDAEMP CCC1(C[NH2+]C[C@H](C)[NH2+]C)CCOCC1 ZINC000261531653 135161259 /nfs/dbraw/zinc/16/12/59/135161259.db2.gz HKCSOOLLNQVJIN-NSHDSACASA-N 2 1 214.353 1.391 10 0 BDAEMP CC1(C)C[N@H+](CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000261534819 135167618 /nfs/dbraw/zinc/16/76/18/135167618.db2.gz NBSQIOPHMFCLMO-QMMMGPOBSA-N 2 1 224.270 1.998 10 0 BDAEMP CC1(C)C[N@@H+](CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000261534819 135167619 /nfs/dbraw/zinc/16/76/19/135167619.db2.gz NBSQIOPHMFCLMO-QMMMGPOBSA-N 2 1 224.270 1.998 10 0 BDAEMP CC1(C)C[N@@H+](C[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261535935 135170653 /nfs/dbraw/zinc/17/06/53/135170653.db2.gz PSYRUYYZQBUXTL-MNOVXSKESA-N 2 1 212.337 1.082 10 0 BDAEMP CCc1nc(N2CC[C@@H](C)C[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000261563047 135205410 /nfs/dbraw/zinc/20/54/10/135205410.db2.gz GTMAGNZVKKXALO-ZYHUDNBSSA-N 2 1 248.374 1.911 10 0 BDAEMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261567440 135209643 /nfs/dbraw/zinc/20/96/43/135209643.db2.gz ZTPKYDDJBRBOQG-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261567440 135209645 /nfs/dbraw/zinc/20/96/45/135209645.db2.gz ZTPKYDDJBRBOQG-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1n[nH]cc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261779862 135252806 /nfs/dbraw/zinc/25/28/06/135252806.db2.gz TWWXRXPMOURPGE-NSHDSACASA-N 2 1 222.336 1.277 10 0 BDAEMP Cc1n[nH]cc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261779862 135252808 /nfs/dbraw/zinc/25/28/08/135252808.db2.gz TWWXRXPMOURPGE-NSHDSACASA-N 2 1 222.336 1.277 10 0 BDAEMP CC1(C)C[N@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000262190556 135284569 /nfs/dbraw/zinc/28/45/69/135284569.db2.gz YPRJVOUEYAEHQS-VIFPVBQESA-N 2 1 236.306 1.327 10 0 BDAEMP CC1(C)C[N@@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000262190556 135284570 /nfs/dbraw/zinc/28/45/70/135284570.db2.gz YPRJVOUEYAEHQS-VIFPVBQESA-N 2 1 236.306 1.327 10 0 BDAEMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000094085546 135610226 /nfs/dbraw/zinc/61/02/26/135610226.db2.gz SIDSYJKMONRJOX-WCQYABFASA-N 2 1 234.343 1.665 10 0 BDAEMP C[C@H](O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000166116555 136073968 /nfs/dbraw/zinc/07/39/68/136073968.db2.gz SETXOWGPMPTXDC-QWHCGFSZSA-N 2 1 226.364 1.175 10 0 BDAEMP CC(C)[C@@H]([NH3+])C[N@@H+]1CCCSCC1 ZINC000042444878 398015697 /nfs/dbraw/zinc/01/56/97/398015697.db2.gz TXWCIAFSQVRKLS-JTQLQIEISA-N 2 1 202.367 1.409 10 0 BDAEMP [NH3+]CCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000045205620 398039249 /nfs/dbraw/zinc/03/92/49/398039249.db2.gz BKTTZRZRSCBLPX-UHFFFAOYSA-N 2 1 220.316 1.020 10 0 BDAEMP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCC[C@H]1CO ZINC000051254897 167003851 /nfs/dbraw/zinc/00/38/51/167003851.db2.gz PDAMWORFFSFFCC-ZDUSSCGKSA-N 2 1 242.407 1.715 10 0 BDAEMP CC(C)NC(=O)CC[N@@H+]1[C@@H](C)CCC[C@H]1C[NH3+] ZINC000104157717 167041554 /nfs/dbraw/zinc/04/15/54/167041554.db2.gz XRTLYMYZMJMFEA-RYUDHWBXSA-N 2 1 241.379 1.103 10 0 BDAEMP CC(C)NC(=O)CC[N@H+]1[C@@H](C)CCC[C@H]1C[NH3+] ZINC000104157717 167041556 /nfs/dbraw/zinc/04/15/56/167041556.db2.gz XRTLYMYZMJMFEA-RYUDHWBXSA-N 2 1 241.379 1.103 10 0 BDAEMP Fc1ccccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000259022855 322881093 /nfs/dbraw/zinc/88/10/93/322881093.db2.gz YVBWZJDDUTYNRG-SNVBAGLBSA-N 2 1 208.280 1.525 10 0 BDAEMP CC(C)OCC[N@H+]1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000053656611 167230540 /nfs/dbraw/zinc/23/05/40/167230540.db2.gz WLZXDPMVWUHWDB-CYBMUJFWSA-N 2 1 240.391 1.875 10 0 BDAEMP Cc1cc(NC[C@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000070010741 410258670 /nfs/dbraw/zinc/25/86/70/410258670.db2.gz GBIAMZMTKSIRNY-JTQLQIEISA-N 2 1 208.309 1.489 10 0 BDAEMP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000651297134 410903723 /nfs/dbraw/zinc/90/37/23/410903723.db2.gz NRWGGZMICJKBQG-GFCCVEGCSA-N 2 1 242.407 1.857 10 0 BDAEMP CC1CCC([N@@H+](C)CCNCC[NH+](C)C)CC1 ZINC000053443407 168158721 /nfs/dbraw/zinc/15/87/21/168158721.db2.gz SQASNVSKWIATFH-UHFFFAOYSA-N 2 1 241.423 1.648 10 0 BDAEMP CC1CCN([C@@]2(C[NH3+])CC[N@H+](C3CC3)C2)CC1 ZINC000061989991 168186927 /nfs/dbraw/zinc/18/69/27/168186927.db2.gz WERWPKIPKDOBAW-CQSZACIVSA-N 2 1 237.391 1.284 10 0 BDAEMP CC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CC[C@@H]1[NH3+] ZINC000122974161 411436559 /nfs/dbraw/zinc/43/65/59/411436559.db2.gz KIRBANQEYDGZJD-NEPJUHHUSA-N 2 1 234.347 1.657 10 0 BDAEMP CC[N@H+]1CC[C@@H](CNC2=[NH+]CCCS2)C1 ZINC000037484490 170008209 /nfs/dbraw/zinc/00/82/09/170008209.db2.gz DVUBUEBHAOAJBF-JTQLQIEISA-N 2 1 227.377 1.411 10 0 BDAEMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](C)CC2)C1 ZINC000309986104 170037006 /nfs/dbraw/zinc/03/70/06/170037006.db2.gz YHPQBIKCNDFTJL-WCQYABFASA-N 2 1 225.380 1.010 10 0 BDAEMP CC[NH2+]CCCCC[N@H+]1CCN(C)[C@@H](CC)C1 ZINC000104126301 170111889 /nfs/dbraw/zinc/11/18/89/170111889.db2.gz AXFRQBOVFLESKQ-AWEZNQCLSA-N 2 1 241.423 1.792 10 0 BDAEMP CC[NH2+]CCCCCN1CC[N@H+](C)[C@@H](CC)C1 ZINC000104126301 170111891 /nfs/dbraw/zinc/11/18/91/170111891.db2.gz AXFRQBOVFLESKQ-AWEZNQCLSA-N 2 1 241.423 1.792 10 0 BDAEMP CC[NH2+]CCCCCN1CC[N@@H+](C)[C@@H](CC)C1 ZINC000104126301 170111892 /nfs/dbraw/zinc/11/18/92/170111892.db2.gz AXFRQBOVFLESKQ-AWEZNQCLSA-N 2 1 241.423 1.792 10 0 BDAEMP CC[NH2+]CCC[C@H](C)[N@H+]1CCN(CC)[C@H](C)C1 ZINC000104140293 170113052 /nfs/dbraw/zinc/11/30/52/170113052.db2.gz CLQCEBACEHOJRF-UONOGXRCSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453088 170118712 /nfs/dbraw/zinc/11/87/12/170118712.db2.gz JOHYVQVDELAIGX-GHMZBOCLSA-N 2 1 216.394 1.669 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000053033596 170119758 /nfs/dbraw/zinc/11/97/58/170119758.db2.gz QMQGBVIYIFIABQ-AWEZNQCLSA-N 3 1 239.407 1.260 10 0 BDAEMP CC[NH2+]C[C@H](C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000082485189 170122135 /nfs/dbraw/zinc/12/21/35/170122135.db2.gz FALKZLXNFVXZAZ-LBPRGKRZSA-N 2 1 227.396 1.258 10 0 BDAEMP CCOCC[N@@H+](CC)Cc1occc1C[NH3+] ZINC000082538145 170396044 /nfs/dbraw/zinc/39/60/44/170396044.db2.gz OYAPFHKUFHQFMC-UHFFFAOYSA-N 2 1 226.320 1.597 10 0 BDAEMP CCOCC[N@H+]1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC000053657929 170397482 /nfs/dbraw/zinc/39/74/82/170397482.db2.gz QBZUYPYWYCPOAA-AWEZNQCLSA-N 2 1 242.407 1.981 10 0 BDAEMP CC[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000104144231 171082700 /nfs/dbraw/zinc/08/27/00/171082700.db2.gz XYROLLUXZHRBHW-UONOGXRCSA-N 2 1 239.407 1.545 10 0 BDAEMP CC[C@@](C)(C[NH3+])C[N@H+]1CCCO[C@H](C)C1 ZINC000061934211 171166711 /nfs/dbraw/zinc/16/67/11/171166711.db2.gz JFRDXUCEWNIZSW-NEPJUHHUSA-N 2 1 214.353 1.472 10 0 BDAEMP CC[C@@](C)(C[NH2+]C)C[N@H+]1CCC[C@@H]1CCCO ZINC000052763319 171167262 /nfs/dbraw/zinc/16/72/62/171167262.db2.gz ZZLZISZZWVKPSX-KGLIPLIRSA-N 2 1 242.407 1.859 10 0 BDAEMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557554 171334415 /nfs/dbraw/zinc/33/44/15/171334415.db2.gz JMZUGUZEFZFICO-SRVKXCTJSA-N 2 1 243.395 1.219 10 0 BDAEMP CC[C@H](C)[NH2+]C1(C(N)=O)CC[NH+](C(C)C)CC1 ZINC000038064915 171339635 /nfs/dbraw/zinc/33/96/35/171339635.db2.gz YYXLAWLHLDSVHT-NSHDSACASA-N 2 1 241.379 1.103 10 0 BDAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623406 412246096 /nfs/dbraw/zinc/24/60/96/412246096.db2.gz XRVDLKJHCYOAEI-MNOVXSKESA-N 2 1 241.379 1.103 10 0 BDAEMP CCc1[nH+]ccn1CC[C@H]1CCCC[NH2+]1 ZINC000042420122 172025224 /nfs/dbraw/zinc/02/52/24/172025224.db2.gz DCJGYYRUGSZCIR-LLVKDONJSA-N 2 1 207.321 1.978 10 0 BDAEMP CCn1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC000020315768 172254980 /nfs/dbraw/zinc/25/49/80/172254980.db2.gz GLJONQFMFZLLRZ-LBPRGKRZSA-N 2 1 236.363 1.382 10 0 BDAEMP CCn1ncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC000020315768 172254982 /nfs/dbraw/zinc/25/49/82/172254982.db2.gz GLJONQFMFZLLRZ-LBPRGKRZSA-N 2 1 236.363 1.382 10 0 BDAEMP C[NH+](C)C(C)(C)CNCC[C@H]1CCCC[N@H+]1C ZINC000049856310 173005306 /nfs/dbraw/zinc/00/53/06/173005306.db2.gz PXJDLSCONJYKLF-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CNC1=[NH+]C(C)(C)CS1 ZINC000044563799 173009078 /nfs/dbraw/zinc/00/90/78/173009078.db2.gz LQQWRSNSWYNKJU-JTQLQIEISA-N 2 1 241.404 1.942 10 0 BDAEMP C[N@H+]1CCCN(CC[NH2+]CC2CCCC2)CC1 ZINC000053344922 173014627 /nfs/dbraw/zinc/01/46/27/173014627.db2.gz MDWWKHCLMRSUKL-UHFFFAOYSA-N 2 1 239.407 1.404 10 0 BDAEMP C[N@H+]1CCCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000020593524 173014888 /nfs/dbraw/zinc/01/48/88/173014888.db2.gz WBYPICAMVHACFI-ZDUSSCGKSA-N 2 1 225.380 1.156 10 0 BDAEMP C[N@H+]1CCCN([C@@H](C[NH3+])CC(C)(C)C)CC1 ZINC000061839713 173016973 /nfs/dbraw/zinc/01/69/73/173016973.db2.gz CQGVXVHZOYDTLK-GFCCVEGCSA-N 2 1 227.396 1.387 10 0 BDAEMP C[N@H+]1CCC[C@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000044538312 173040456 /nfs/dbraw/zinc/04/04/56/173040456.db2.gz GIEIVAPKCRLMOR-SNVBAGLBSA-N 2 1 241.404 1.799 10 0 BDAEMP Cn1cc[nH+]c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000050606567 173040899 /nfs/dbraw/zinc/04/08/99/173040899.db2.gz AXECLOGKBTZAFQ-SNVBAGLBSA-N 2 1 208.309 1.174 10 0 BDAEMP C[N@H+]1CCC[C@H](CNC2=[NH+]CCCS2)C1 ZINC000044538294 173041257 /nfs/dbraw/zinc/04/12/57/173041257.db2.gz FXPQYMINNYZHQK-SNVBAGLBSA-N 2 1 227.377 1.411 10 0 BDAEMP CN([C@@H](C[NH3+])C1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000053206119 173045182 /nfs/dbraw/zinc/04/51/82/173045182.db2.gz DABJXFDEKCZSLM-KBPBESRZSA-N 2 1 239.407 1.530 10 0 BDAEMP C[N@H+]1CCC[C@H](n2c(N)[nH+]c3ccccc32)C1 ZINC000042278782 173047883 /nfs/dbraw/zinc/04/78/83/173047883.db2.gz JYAQQOFYPPCGRV-JTQLQIEISA-N 2 1 230.315 1.885 10 0 BDAEMP C[NH+]1CCC[C@H]1CC(=O)C[C@@H]1CCC[N@@H+]1C ZINC000004097178 173051173 /nfs/dbraw/zinc/05/11/73/173051173.db2.gz ZEBIACKKLGVLFZ-RYUDHWBXSA-N 2 1 224.348 1.524 10 0 endogenous,in-man BDAEMP CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)(C)[NH3+] ZINC000096963457 173087209 /nfs/dbraw/zinc/08/72/09/173087209.db2.gz WGKGNSCDCHDDGD-CQSZACIVSA-N 2 1 247.386 1.540 10 0 BDAEMP CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)(C)[NH3+] ZINC000096963457 173087212 /nfs/dbraw/zinc/08/72/12/173087212.db2.gz WGKGNSCDCHDDGD-CQSZACIVSA-N 2 1 247.386 1.540 10 0 BDAEMP C[NH+]1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000019282957 173095017 /nfs/dbraw/zinc/09/50/17/173095017.db2.gz ISSNWVYZSNEIAU-CYBMUJFWSA-N 2 1 237.322 1.073 10 0 BDAEMP CN(C[C@@H](O)c1ccccc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000221350134 173113149 /nfs/dbraw/zinc/11/31/49/173113149.db2.gz GSMUOOFCEJQIFU-UKRRQHHQSA-N 2 1 248.370 1.604 10 0 BDAEMP C[NH+](C[C@@H](O)c1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000221350134 173113162 /nfs/dbraw/zinc/11/31/62/173113162.db2.gz GSMUOOFCEJQIFU-UKRRQHHQSA-N 2 1 248.370 1.604 10 0 BDAEMP C[NH+](C[C@@H](O)c1ccccc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000221350134 173113164 /nfs/dbraw/zinc/11/31/64/173113164.db2.gz GSMUOOFCEJQIFU-UKRRQHHQSA-N 2 1 248.370 1.604 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000037485048 173147056 /nfs/dbraw/zinc/14/70/56/173147056.db2.gz BUMDEJUMPGGHFY-NEPJUHHUSA-N 2 1 212.337 1.097 10 0 BDAEMP C[N@H+]1CC[C@H](NCC[C@@H]2CCCC[NH+]2C)C1 ZINC000052205873 173151541 /nfs/dbraw/zinc/15/15/41/173151541.db2.gz GBUSRENRHXZMSQ-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP C[NH+]1CC[C@H](NCC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000052205873 173151545 /nfs/dbraw/zinc/15/15/45/173151545.db2.gz GBUSRENRHXZMSQ-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP C[NH+]1CC[C@H](NCC[C@@H]2CCCC[N@H+]2C)C1 ZINC000052205873 173151550 /nfs/dbraw/zinc/15/15/50/173151550.db2.gz GBUSRENRHXZMSQ-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP CN1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000052205873 173151553 /nfs/dbraw/zinc/15/15/53/173151553.db2.gz GBUSRENRHXZMSQ-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP CN1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000052205873 173151555 /nfs/dbraw/zinc/15/15/55/173151555.db2.gz GBUSRENRHXZMSQ-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP C[NH2+]C1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000044562902 173323458 /nfs/dbraw/zinc/32/34/58/173323458.db2.gz UFURHYQJALCFLY-ZDUSSCGKSA-N 2 1 225.380 1.155 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182207 173337456 /nfs/dbraw/zinc/33/74/56/173337456.db2.gz FVUWHMIHOPMHJL-LBPRGKRZSA-N 2 1 226.364 1.344 10 0 BDAEMP C[NH2+]CC1(C[NH+]2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000051209566 173337549 /nfs/dbraw/zinc/33/75/49/173337549.db2.gz ZOFDUYIRHWUBFN-STQMWFEESA-N 2 1 240.391 1.875 10 0 BDAEMP C[NH2+]CC1(C[NH+]2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000051209569 173338168 /nfs/dbraw/zinc/33/81/68/173338168.db2.gz ZOFDUYIRHWUBFN-CHWSQXEVSA-N 2 1 240.391 1.875 10 0 BDAEMP C[NH2+]C[C@@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000052419078 173363870 /nfs/dbraw/zinc/36/38/70/173363870.db2.gz FBLWJIVECGJTNV-GFCCVEGCSA-N 2 1 218.344 1.900 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000051212133 173373330 /nfs/dbraw/zinc/37/33/30/173373330.db2.gz MLXGSLUKVVWEAN-OAHLLOKOSA-N 2 1 248.370 1.745 10 0 BDAEMP C[NH2+]Cc1nc(C[N@@H+]2CCC[C@H]2C)cs1 ZINC000052375490 173394286 /nfs/dbraw/zinc/39/42/86/173394286.db2.gz FKILXTHWHQAVKW-SECBINFHSA-N 2 1 225.361 1.847 10 0 BDAEMP C[NH2+]Cc1nc(C[N@H+]2CCC[C@H]2C)cs1 ZINC000052375490 173394287 /nfs/dbraw/zinc/39/42/87/173394287.db2.gz FKILXTHWHQAVKW-SECBINFHSA-N 2 1 225.361 1.847 10 0 BDAEMP COCCC[N@@H+](CCCCCC[NH3+])CCOC ZINC000042425412 174222189 /nfs/dbraw/zinc/22/21/89/174222189.db2.gz WKVNPANTJRTTFG-UHFFFAOYSA-N 2 1 246.395 1.490 10 0 BDAEMP COCCC[N@H+](CCOC)C[C@@H]([NH3+])C(C)(C)C ZINC000042421788 174224556 /nfs/dbraw/zinc/22/45/56/174224556.db2.gz IUADEEJUZFLUQP-GFCCVEGCSA-N 2 1 246.395 1.345 10 0 BDAEMP COCCC[N@@H+](CCOC)C[C@@H]([NH3+])C(C)(C)C ZINC000042421788 174224558 /nfs/dbraw/zinc/22/45/58/174224558.db2.gz IUADEEJUZFLUQP-GFCCVEGCSA-N 2 1 246.395 1.345 10 0 BDAEMP COCC[N@@H+](C)C[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053971835 174279827 /nfs/dbraw/zinc/27/98/27/174279827.db2.gz PHBRIUHVNBYQGQ-JSGCOSHPSA-N 2 1 236.359 1.901 10 0 BDAEMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)C1CC1 ZINC000042689329 174289157 /nfs/dbraw/zinc/28/91/57/174289157.db2.gz OQIPAPOWUQKFNJ-LBPRGKRZSA-N 2 1 240.391 1.733 10 0 BDAEMP COCC[N@@H+](CCCCC(N)=[NH2+])[C@H](C)C1CC1 ZINC000042680013 174291023 /nfs/dbraw/zinc/29/10/23/174291023.db2.gz HLWBASBOZAUIHE-LLVKDONJSA-N 2 1 241.379 1.840 10 0 BDAEMP COCC[N@H+](C[C@](C)([NH3+])C1CC1)[C@H](C)COC ZINC000042610818 174297456 /nfs/dbraw/zinc/29/74/56/174297456.db2.gz SXLZNHRCGVXDKA-YPMHNXCESA-N 2 1 244.379 1.097 10 0 BDAEMP COCC[N@@H+](C[C@](C)([NH3+])C1CC1)[C@H](C)COC ZINC000042610818 174297458 /nfs/dbraw/zinc/29/74/58/174297458.db2.gz SXLZNHRCGVXDKA-YPMHNXCESA-N 2 1 244.379 1.097 10 0 BDAEMP COCC[N@@H+]([C@@H](C)C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042614424 174301990 /nfs/dbraw/zinc/30/19/90/174301990.db2.gz MOEAILRIQYRNIK-IACUBPJLSA-N 2 1 240.391 1.861 10 0 BDAEMP COCC[N@@H+]([C@H](C)COC)[C@@H](CN)C(C)(C)C ZINC000042603099 174302473 /nfs/dbraw/zinc/30/24/73/174302473.db2.gz MOXOOLPOKATDTN-NEPJUHHUSA-N 2 1 246.395 1.343 10 0 BDAEMP COCC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])C(C)(C)C ZINC000042603099 174302474 /nfs/dbraw/zinc/30/24/74/174302474.db2.gz MOXOOLPOKATDTN-NEPJUHHUSA-N 2 1 246.395 1.343 10 0 BDAEMP COCC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])C(C)(C)C ZINC000042603099 174302475 /nfs/dbraw/zinc/30/24/75/174302475.db2.gz MOXOOLPOKATDTN-NEPJUHHUSA-N 2 1 246.395 1.343 10 0 BDAEMP COCC[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000020047931 174332743 /nfs/dbraw/zinc/33/27/43/174332743.db2.gz QLAJUIWPUUGMPE-GFCCVEGCSA-N 2 1 214.353 1.487 10 0 BDAEMP COCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371896738 174385019 /nfs/dbraw/zinc/38/50/19/174385019.db2.gz ADXVWWUEEQOZBF-GHMZBOCLSA-N 2 1 223.320 1.213 10 0 BDAEMP COc1cccc(CC[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000071563480 175251363 /nfs/dbraw/zinc/25/13/63/175251363.db2.gz REQYPKWLBHWGKL-CYBMUJFWSA-N 2 1 248.370 1.779 10 0 BDAEMP COc1cccc(CC[N@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000071563480 175251366 /nfs/dbraw/zinc/25/13/66/175251366.db2.gz REQYPKWLBHWGKL-CYBMUJFWSA-N 2 1 248.370 1.779 10 0 BDAEMP C[C@@H](c1cnccn1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010855 176035416 /nfs/dbraw/zinc/03/54/16/176035416.db2.gz KSWDIRNDULNFOB-NSHDSACASA-N 2 1 234.347 1.469 10 0 BDAEMP C[C@@H]1CCC[N@@H+](CC2(O)CC[NH2+]CC2)[C@@H]1C ZINC000051016413 176096097 /nfs/dbraw/zinc/09/60/97/176096097.db2.gz NXPHAQDNDRVNNJ-VXGBXAGGSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H]1CCC[N@@H+]1[C@]1(C[NH3+])CCSC1 ZINC000037910489 176111407 /nfs/dbraw/zinc/11/14/07/176111407.db2.gz ZTBWPZHMBGLQJR-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CCC[N@H+]1[C@]1(C[NH3+])CCSC1 ZINC000037910489 176111408 /nfs/dbraw/zinc/11/14/08/176111408.db2.gz ZTBWPZHMBGLQJR-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2CCN(C)[C@H](C)C2)C1 ZINC000104141703 176229466 /nfs/dbraw/zinc/22/94/66/176229466.db2.gz UYQMIQGFIXGAPH-MQYQWHSLSA-N 2 1 239.407 1.386 10 0 BDAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](CN2CC[N@H+](C)[C@H](C)C2)C1 ZINC000104141703 176229468 /nfs/dbraw/zinc/22/94/68/176229468.db2.gz UYQMIQGFIXGAPH-MQYQWHSLSA-N 2 1 239.407 1.386 10 0 BDAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](CN2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000104141703 176229470 /nfs/dbraw/zinc/22/94/70/176229470.db2.gz UYQMIQGFIXGAPH-MQYQWHSLSA-N 2 1 239.407 1.386 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)CN(C2CC[NH+](C)CC2)C1 ZINC000049665948 176328801 /nfs/dbraw/zinc/32/88/01/176328801.db2.gz OBFAMWTUKLPPTM-CHWSQXEVSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@@H]1COCC[N@@H+]1Cc1ccccc1C[NH3+] ZINC000035773952 176337141 /nfs/dbraw/zinc/33/71/41/176337141.db2.gz SUDQWSAVBLHYEJ-LLVKDONJSA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@@H]1COCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000035773952 176337143 /nfs/dbraw/zinc/33/71/43/176337143.db2.gz SUDQWSAVBLHYEJ-LLVKDONJSA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037910040 177109789 /nfs/dbraw/zinc/10/97/89/177109789.db2.gz NUHGJMUAYVZTQE-NSHDSACASA-N 2 1 247.342 1.568 10 0 BDAEMP C[C@H]1CC[N@@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000049666539 177162362 /nfs/dbraw/zinc/16/23/62/177162362.db2.gz HIJLZBABGYHYBQ-ZDUSSCGKSA-N 2 1 233.359 1.698 10 0 BDAEMP C[C@H]1CSC(NC[C@@H]2CCCC[N@H+]2C)=[NH+]1 ZINC000044563816 177303432 /nfs/dbraw/zinc/30/34/32/177303432.db2.gz IKZPIZBEQFMYEH-UWVGGRQHSA-N 2 1 227.377 1.552 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccccn1 ZINC000049712388 177326968 /nfs/dbraw/zinc/32/69/68/177326968.db2.gz QKEDKEILPSHPDK-RYUDHWBXSA-N 2 1 219.332 1.436 10 0 BDAEMP C[C@H](CN1CCCCC1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400361767 225097777 /nfs/dbraw/zinc/09/77/77/225097777.db2.gz QHEDAYRDLOOGHW-MCIONIFRSA-N 2 1 239.407 1.448 10 0 BDAEMP CCc1cc(N2CC[C@H]([NH3+])[C@@H](CC)C2)nc(C)[nH+]1 ZINC000226035763 487653786 /nfs/dbraw/zinc/65/37/86/487653786.db2.gz NBJURJFOEAYIIZ-AAEUAGOBSA-N 2 1 248.374 1.911 10 0 BDAEMP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CCC[N@H+]2C)C1 ZINC000225888563 487654344 /nfs/dbraw/zinc/65/43/44/487654344.db2.gz SBBPJDVSPAYOAG-KBPBESRZSA-N 2 1 239.407 1.543 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000569684501 323036834 /nfs/dbraw/zinc/03/68/34/323036834.db2.gz GWMBBIBUZAYBJV-MCIONIFRSA-N 2 1 241.423 1.693 10 0 BDAEMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400756221 487987477 /nfs/dbraw/zinc/98/74/77/487987477.db2.gz XAMYSXOPQAWTNH-UPJWGTAASA-N 2 1 225.380 1.058 10 0 BDAEMP CCCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400756221 487987483 /nfs/dbraw/zinc/98/74/83/487987483.db2.gz XAMYSXOPQAWTNH-UPJWGTAASA-N 2 1 225.380 1.058 10 0 BDAEMP Cc1nnsc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000381396733 487508489 /nfs/dbraw/zinc/50/84/89/487508489.db2.gz OYDHPRCZHRWJCJ-GUBZILKMSA-N 2 1 238.360 1.016 10 0 BDAEMP Cc1nnsc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000381396733 487508495 /nfs/dbraw/zinc/50/84/95/487508495.db2.gz OYDHPRCZHRWJCJ-GUBZILKMSA-N 2 1 238.360 1.016 10 0 BDAEMP Cc1cc(N)[nH+]cc1N1CCCC[N@@H+](C)CC1 ZINC000584628240 487966289 /nfs/dbraw/zinc/96/62/89/487966289.db2.gz CDXDXHAJMCQHHD-UHFFFAOYSA-N 2 1 234.347 1.504 10 0 BDAEMP Cc1cc(N)[nH+]cc1N1CCCC[N@H+](C)CC1 ZINC000584628240 487966293 /nfs/dbraw/zinc/96/62/93/487966293.db2.gz CDXDXHAJMCQHHD-UHFFFAOYSA-N 2 1 234.347 1.504 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CC[N@H+]1C ZINC000129981626 490528962 /nfs/dbraw/zinc/52/89/62/490528962.db2.gz SCBWFNQMDBHHAJ-UPJWGTAASA-N 2 1 226.364 1.628 10 0 BDAEMP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000127996679 490567603 /nfs/dbraw/zinc/56/76/03/490567603.db2.gz XSNCLKOMIIAARE-RDBSUJKOSA-N 2 1 238.375 1.772 10 0 BDAEMP CC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CC[C@H]1[NH3+] ZINC000251729827 491079610 /nfs/dbraw/zinc/07/96/10/491079610.db2.gz KIRBANQEYDGZJD-NWDGAFQWSA-N 2 1 234.347 1.657 10 0 BDAEMP CC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C(C)C ZINC000309994891 491159647 /nfs/dbraw/zinc/15/96/47/491159647.db2.gz BXDCWTJICMUHHU-CYBMUJFWSA-N 2 1 228.380 1.467 10 0 BDAEMP CC(C)[C@H]1C[NH2+][C@]2(CCC[N@@H+](C)CC2)OC1 ZINC000757145971 582528837 /nfs/dbraw/zinc/52/88/37/582528837.db2.gz JIHZPMPECKMTLY-QWHCGFSZSA-N 2 1 226.364 1.690 10 0 BDAEMP CC[C@@]1(C)CCO[C@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757146342 582529624 /nfs/dbraw/zinc/52/96/24/582529624.db2.gz KOOCTDPSEOUFND-STQMWFEESA-N 2 1 226.364 1.977 10 0 BDAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757148894 582532848 /nfs/dbraw/zinc/53/28/48/582532848.db2.gz VXGAIEHOKOACTK-CHWSQXEVSA-N 2 1 224.348 1.587 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1N ZINC000757230020 582563609 /nfs/dbraw/zinc/56/36/09/582563609.db2.gz FTXMMFJZSSNLLZ-ICCXJUOJSA-N 2 1 219.332 1.575 10 0 BDAEMP C[C@H](NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400318152 533855018 /nfs/dbraw/zinc/85/50/18/533855018.db2.gz AULDSAYYCLLPOH-STQMWFEESA-N 2 1 239.407 1.448 10 0 BDAEMP CCC[N@@H+](CC)CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400400788 527979926 /nfs/dbraw/zinc/97/99/26/527979926.db2.gz PTSFGRLWNBWDJY-STQMWFEESA-N 2 1 227.396 1.306 10 0 BDAEMP COC[C@@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757125549 582500910 /nfs/dbraw/zinc/50/09/10/582500910.db2.gz DZJACDSPBHPFAK-LLVKDONJSA-N 2 1 212.337 1.239 10 0 BDAEMP COC[C@@H](C)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757134148 582510175 /nfs/dbraw/zinc/51/01/75/582510175.db2.gz KQHHRJIHZVBRSZ-RYUDHWBXSA-N 2 1 212.337 1.097 10 0 BDAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757142493 582523061 /nfs/dbraw/zinc/52/30/61/582523061.db2.gz LFQZTSFZOQCFPT-MWLCHTKSSA-N 2 1 234.290 1.442 10 0 BDAEMP CC(C)[C@@H]1[NH2+]C2(CC[NH2+]CC2)OCC1(C)C ZINC000757152695 582537361 /nfs/dbraw/zinc/53/73/61/582537361.db2.gz TZFIIFARCDWCDW-NSHDSACASA-N 2 1 226.364 1.737 10 0 BDAEMP CC1(C)C[NH2+]C2(C[C@H]3CC[C@@H](C2)[NH2+]3)OC1 ZINC000757143336 586428203 /nfs/dbraw/zinc/42/82/03/586428203.db2.gz VWWDWIWGBUCCTJ-DHHPTOIESA-N 2 1 210.321 1.243 10 0 BDAEMP C[C@@H]1C[NH2+][C@H](c2cccc(C[NH3+])c2)[C@H](N)C1 ZINC000757213604 586439936 /nfs/dbraw/zinc/43/99/36/586439936.db2.gz LCZIXMTWAXAYFZ-ZWKOPEQDSA-N 2 1 219.332 1.143 10 0 BDAEMP C[C@@H]1CC[C@H](N)[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757218241 586441811 /nfs/dbraw/zinc/44/18/11/586441811.db2.gz UQSHEGCIWVNPGJ-ICCXJUOJSA-N 2 1 219.332 1.286 10 0 BDAEMP [NH3+]Cc1cc([C@H]2CC[NH2+]C[C@@H]2[NH3+])ccc1C1CC1 ZINC000757232737 586443334 /nfs/dbraw/zinc/44/33/34/586443334.db2.gz JIGQPUZJHSRLMD-CABCVRRESA-N 3 1 245.370 1.427 10 0 BDAEMP [NH3+]Cc1cc([C@H]2CCNC[C@@H]2[NH3+])ccc1C1CC1 ZINC000757232737 586443335 /nfs/dbraw/zinc/44/33/35/586443335.db2.gz JIGQPUZJHSRLMD-CABCVRRESA-N 2 1 245.370 1.427 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1CC[C@@H]([NH3+])[C@H](C)[NH2+]1 ZINC000757238627 586444424 /nfs/dbraw/zinc/44/44/24/586444424.db2.gz TUCMGAYHAHLQQB-BIMULSAOSA-N 2 1 219.332 1.718 10 0 BDAEMP c1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132265983 591696691 /nfs/dbraw/zinc/69/66/91/591696691.db2.gz RFQRFQNKMXYSAS-AAEUAGOBSA-N 2 1 232.327 1.709 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ncc[nH]1 ZINC000124791696 634434646 /nfs/dbraw/zinc/43/46/46/634434646.db2.gz FTUXYXPVEUPIQI-AEJSXWLSSA-N 2 1 208.309 1.188 10 0 BDAEMP CCc1cc(N2CC[C@@H](CC[NH3+])C2)nc(C)[nH+]1 ZINC000125507030 634524868 /nfs/dbraw/zinc/52/48/68/634524868.db2.gz VVFIEFWBFHFZBP-LLVKDONJSA-N 2 1 234.347 1.523 10 0 BDAEMP CN(C)c1nc(NCCCCCC[NH3+])cc[nH+]1 ZINC000234289331 635550832 /nfs/dbraw/zinc/55/08/32/635550832.db2.gz NRHFGRQPZPFOCL-UHFFFAOYSA-N 2 1 237.351 1.474 10 0 BDAEMP C[N@@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000226465464 640767733 /nfs/dbraw/zinc/76/77/33/640767733.db2.gz SGFXABUPMGPPBT-HUUCEWRRSA-N 2 1 248.370 1.794 10 0 BDAEMP CN(C)c1nc(NC[C@@H]2CC[C@H]([NH3+])C2)cc[nH+]1 ZINC000227642703 640843156 /nfs/dbraw/zinc/84/31/56/640843156.db2.gz KRGXKSPLDIDEHG-ZJUUUORDSA-N 2 1 235.335 1.082 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000063195916 641144131 /nfs/dbraw/zinc/14/41/31/641144131.db2.gz SKQHSJQDLMYKCU-SDDRHHMPSA-N 2 1 212.337 1.367 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000063195916 641144139 /nfs/dbraw/zinc/14/41/39/641144139.db2.gz SKQHSJQDLMYKCU-SDDRHHMPSA-N 2 1 212.337 1.367 10 0 BDAEMP C[C@@H]1CCC[N@H+](C[C@H]2CCCO2)[C@@H]1C[NH3+] ZINC000252182329 643378626 /nfs/dbraw/zinc/37/86/26/643378626.db2.gz QFXCZVOIJBCJQU-IJLUTSLNSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)[C@@H]1C[NH3+] ZINC000252182329 643378632 /nfs/dbraw/zinc/37/86/32/643378632.db2.gz QFXCZVOIJBCJQU-IJLUTSLNSA-N 2 1 212.337 1.225 10 0 BDAEMP CCc1cc(N(C)C[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC000084082438 643644399 /nfs/dbraw/zinc/64/43/99/643644399.db2.gz DGJQSVDPENIPLR-MRVPVSSYSA-N 2 1 208.309 1.131 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 ZINC000685946269 644517873 /nfs/dbraw/zinc/51/78/73/644517873.db2.gz MYXOOSMZRQVCAB-NEPJUHHUSA-N 2 1 226.270 1.759 10 0 BDAEMP C[C@H]1C[N@@H+](CCCOC(F)(F)F)C[C@@H]1C[NH3+] ZINC000713414780 712459214 /nfs/dbraw/zinc/45/92/14/712459214.db2.gz HPSFGCGKQXFYRB-IUCAKERBSA-N 2 1 240.269 1.440 10 0 BDAEMP COCC1CC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000713976392 712475672 /nfs/dbraw/zinc/47/56/72/712475672.db2.gz FJQPJWPNDMHTTK-HBIQZDMRSA-N 2 1 212.337 1.142 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715014254 712504259 /nfs/dbraw/zinc/50/42/59/712504259.db2.gz UOHZXENCGOEMBW-FRRDWIJNSA-N 2 1 224.348 1.239 10 0 BDAEMP CC1(C)C[NH2+]C[C@H]1Nc1cc[nH+]cc1Cl ZINC000721923658 710692059 /nfs/dbraw/zinc/69/20/59/710692059.db2.gz AYDDVWJIENODOC-SNVBAGLBSA-N 2 1 225.723 1.567 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669383277 711790015 /nfs/dbraw/zinc/79/00/15/711790015.db2.gz QXASCBWDLAHMMH-RYUDHWBXSA-N 2 1 212.337 1.095 10 0 BDAEMP C[N@@H+](CCOC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000711751454 712323799 /nfs/dbraw/zinc/32/37/99/712323799.db2.gz FJVZIRRUYJKJBI-NSHDSACASA-N 2 1 212.337 1.239 10 0 BDAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12CCCOCC2 ZINC000685953933 538898904 /nfs/dbraw/zinc/89/89/04/538898904.db2.gz JPMRAJZMKVSZMO-RYUDHWBXSA-N 2 1 212.337 1.367 10 0 BDAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12CCSC2 ZINC000685955274 538900682 /nfs/dbraw/zinc/90/06/82/538900682.db2.gz XBOXELUUXRIFIF-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCSC1 ZINC000227803639 398138039 /nfs/dbraw/zinc/13/80/39/398138039.db2.gz SENSVPLMHMUQQO-GMTAPVOTSA-N 2 1 214.378 1.551 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CCn1cnc(N)c1 ZINC000685964207 538910987 /nfs/dbraw/zinc/91/09/87/538910987.db2.gz NOBICLVLYJDTEM-SNVBAGLBSA-N 2 1 208.309 1.340 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1F ZINC000685965579 538911937 /nfs/dbraw/zinc/91/19/37/538911937.db2.gz JZHVKEAUCVTFQU-CABZTGNLSA-N 2 1 224.279 1.239 10 0 BDAEMP CCc1cccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965722 538912280 /nfs/dbraw/zinc/91/22/80/538912280.db2.gz QADZDZMSSONZEY-QWHCGFSZSA-N 2 1 204.317 1.653 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 ZINC000685965729 538912321 /nfs/dbraw/zinc/91/23/21/538912321.db2.gz QGNXEQZWGVTAJX-UONOGXRCSA-N 2 1 216.328 1.968 10 0 BDAEMP CCC(CC)(C[NH2+]C1CC1)C[N@@H+](C)C[C@@H](C)O ZINC000051840494 168324992 /nfs/dbraw/zinc/32/49/92/168324992.db2.gz BXFXIZHZRRPGMD-GFCCVEGCSA-N 2 1 242.407 1.857 10 0 BDAEMP CCc1nn(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000386661514 398214959 /nfs/dbraw/zinc/21/49/59/398214959.db2.gz VNJVALSIMWVNCQ-WCFLWFBJSA-N 2 1 248.374 1.152 10 0 BDAEMP C[NH2+]C[C@@H](C)[N@@H+]1CCSCC[C@H]1C ZINC000306640888 361749677 /nfs/dbraw/zinc/74/96/77/361749677.db2.gz PZYYIHMONDYMBE-NXEZZACHSA-N 2 1 202.367 1.422 10 0 BDAEMP C[NH2+]C[C@@H](C)[N@H+]1CCSCC[C@H]1C ZINC000306640888 361749681 /nfs/dbraw/zinc/74/96/81/361749681.db2.gz PZYYIHMONDYMBE-NXEZZACHSA-N 2 1 202.367 1.422 10 0 BDAEMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)O1 ZINC000381387444 398254993 /nfs/dbraw/zinc/25/49/93/398254993.db2.gz MNKXNYHXZRVWTF-NZEXEKPDSA-N 2 1 224.348 1.223 10 0 BDAEMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)O1 ZINC000381387446 398255061 /nfs/dbraw/zinc/25/50/61/398255061.db2.gz MNKXNYHXZRVWTF-RXGFPQBGSA-N 2 1 224.348 1.223 10 0 BDAEMP [NH3+]CC1(Nc2cc[nH+]cc2Br)CC1 ZINC000127043313 342816573 /nfs/dbraw/zinc/81/65/73/342816573.db2.gz SVFYYNWSLRRDCM-UHFFFAOYSA-N 2 1 242.120 1.747 10 0 BDAEMP CC[N@H+]1C[C@H](C)[C@H](Nc2cc[nH+]c(C)c2)C1 ZINC000381318016 538998465 /nfs/dbraw/zinc/99/84/65/538998465.db2.gz NUAMATFJSQPEQE-GXFFZTMASA-N 2 1 219.332 1.564 10 0 BDAEMP C[C@@H]([NH2+]C[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000381322155 538998467 /nfs/dbraw/zinc/99/84/67/538998467.db2.gz PDXBATKUHXPVAH-MNOVXSKESA-N 2 1 219.332 1.834 10 0 BDAEMP CC[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000381386763 538999966 /nfs/dbraw/zinc/99/99/66/538999966.db2.gz MYFLJPYMASTMEJ-ZDUSSCGKSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H](C[NH2+]C1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000062079102 136272002 /nfs/dbraw/zinc/27/20/02/136272002.db2.gz WDJNAIGOUXOCKS-LBPRGKRZSA-N 3 1 225.380 1.060 10 0 BDAEMP Cc1c[nH+]c2ccc(NC(=O)CCC[NH3+])cn12 ZINC000031958708 343227285 /nfs/dbraw/zinc/22/72/85/343227285.db2.gz FXQSZAJPJRLGEI-UHFFFAOYSA-N 2 1 232.287 1.320 10 0 BDAEMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000250361889 259362824 /nfs/dbraw/zinc/36/28/24/259362824.db2.gz FDAHYLITFOVURS-CHWSQXEVSA-N 2 1 248.326 1.009 10 0 BDAEMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000250361889 259362826 /nfs/dbraw/zinc/36/28/26/259362826.db2.gz FDAHYLITFOVURS-CHWSQXEVSA-N 2 1 248.326 1.009 10 0 BDAEMP COC[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000218547967 343793081 /nfs/dbraw/zinc/79/30/81/343793081.db2.gz QMHOARZNADZMJB-LLVKDONJSA-N 2 1 212.337 1.097 10 0 BDAEMP CCOc1cccc([C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC000409422941 343814378 /nfs/dbraw/zinc/81/43/78/343814378.db2.gz NBRKGCXYEGOJKJ-NEPJUHHUSA-N 2 1 206.289 1.099 10 0 BDAEMP CC(C)C[C@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1O ZINC000409435541 343833664 /nfs/dbraw/zinc/83/36/64/343833664.db2.gz VIWHNHDQQDTRCI-RYUDHWBXSA-N 2 1 214.353 1.064 10 0 BDAEMP [NH3+]CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](CO)C1 ZINC000409435971 343836750 /nfs/dbraw/zinc/83/67/50/343836750.db2.gz XMZWHHLUMFVWQA-KBPBESRZSA-N 2 1 234.343 1.043 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000235368180 344893999 /nfs/dbraw/zinc/89/39/99/344893999.db2.gz ANSQGVABADWSBS-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@H+]1CCC[C@@H]1C[NH3+] ZINC000235368180 344894001 /nfs/dbraw/zinc/89/40/01/344894001.db2.gz ANSQGVABADWSBS-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP COCC(C)(C)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999393 345200317 /nfs/dbraw/zinc/20/03/17/345200317.db2.gz UBAFIQWGPWAOTP-WDEREUQCSA-N 2 1 214.353 1.186 10 0 BDAEMP Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999575 345200642 /nfs/dbraw/zinc/20/06/42/345200642.db2.gz WNLWHCNXMNZYSB-SCZZXKLOSA-N 2 1 225.361 1.478 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000635000134 345202136 /nfs/dbraw/zinc/20/21/36/345202136.db2.gz HWONBRVQXCXUKM-JQWIXIFHSA-N 2 1 220.316 1.419 10 0 BDAEMP [NH3+]C[C@H]([NH3+])CC1=Cc2cc(F)ccc2CC1 ZINC000141157994 345859037 /nfs/dbraw/zinc/85/90/37/345859037.db2.gz GWGPBRXLJIREAL-CYBMUJFWSA-N 2 1 220.291 1.831 10 0 BDAEMP CCC[N@@H+](CC)Cc1cncc(C[NH3+])c1 ZINC000669378603 537969739 /nfs/dbraw/zinc/96/97/39/537969739.db2.gz IXTZIGMNRXZNSP-UHFFFAOYSA-N 2 1 207.321 1.772 10 0 BDAEMP Cc1cccc(C[N@H+]2CCCN(CC[NH3+])CC2)c1 ZINC000037039711 179074374 /nfs/dbraw/zinc/07/43/74/179074374.db2.gz RZULWAQYOYEBNE-UHFFFAOYSA-N 2 1 247.386 1.461 10 0 BDAEMP Cc1cccc(N(C)CC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000061275773 179115677 /nfs/dbraw/zinc/11/56/77/179115677.db2.gz JYESVLNVNKCOOC-UHFFFAOYSA-N 2 1 247.386 1.727 10 0 BDAEMP Cc1cccc(N(C)CC[N@H+]2CCC[NH2+]CC2)c1 ZINC000061275773 179115679 /nfs/dbraw/zinc/11/56/79/179115679.db2.gz JYESVLNVNKCOOC-UHFFFAOYSA-N 2 1 247.386 1.727 10 0 BDAEMP Cc1cccc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)[nH+]1 ZINC000309437748 179124077 /nfs/dbraw/zinc/12/40/77/179124077.db2.gz NCYURKCAEBVFNV-ZWNOBZJWSA-N 2 1 219.332 1.811 10 0 BDAEMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)C(C)(C)C ZINC000580641004 365839079 /nfs/dbraw/zinc/83/90/79/365839079.db2.gz JVIRANKSLXWAJT-LBPRGKRZSA-N 2 1 239.363 1.578 10 0 BDAEMP Cc1cccc([C@H](O)C[NH+]2CCC([NH3+])CC2)c1 ZINC000070459742 179202689 /nfs/dbraw/zinc/20/26/89/179202689.db2.gz QVGWFFOBVGYEMX-CQSZACIVSA-N 2 1 234.343 1.452 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCCSC2)C1 ZINC000251023083 362833776 /nfs/dbraw/zinc/83/37/76/362833776.db2.gz FIYXWAYSURVQEF-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP Cc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886492 179277005 /nfs/dbraw/zinc/27/70/05/179277005.db2.gz YFIHCRKVOMCHDF-CQSZACIVSA-N 2 1 248.370 1.933 10 0 BDAEMP Cc1ccccc1C[N@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886492 179277006 /nfs/dbraw/zinc/27/70/06/179277006.db2.gz YFIHCRKVOMCHDF-CQSZACIVSA-N 2 1 248.370 1.933 10 0 BDAEMP CC(C)[C@H]([NH3+])C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000251630569 362892251 /nfs/dbraw/zinc/89/22/51/362892251.db2.gz IIPXAMNNZDPWTK-GMTAPVOTSA-N 2 1 216.394 1.796 10 0 BDAEMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CCC[NH2+]C1 ZINC000420165860 192167694 /nfs/dbraw/zinc/16/76/94/192167694.db2.gz NPLYKVHUSWIFOS-VHSXEESVSA-N 2 1 245.330 1.758 10 0 BDAEMP CCc1nc(N[C@@H](C)C[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000304375752 350155888 /nfs/dbraw/zinc/15/58/88/350155888.db2.gz VOAIVVHNOTYDIW-BDAKNGLRSA-N 2 1 222.336 1.885 10 0 BDAEMP Cc1nccc(CN[C@@H](C)[C@H]2CCC[N@@H+](C)C2)n1 ZINC000038037594 180191124 /nfs/dbraw/zinc/19/11/24/180191124.db2.gz USYMWIPUKKRWSB-AAEUAGOBSA-N 2 1 248.374 1.605 10 0 BDAEMP Cc1[nH+]ccn1Cc1ccccc1C[NH3+] ZINC000022173678 180269353 /nfs/dbraw/zinc/26/93/53/180269353.db2.gz XCPXTKTURUWFMO-UHFFFAOYSA-N 2 1 201.273 1.699 10 0 BDAEMP COC[C@@]12CCC[C@@H]1C[N@@H+](CCC[NH3+])C2 ZINC000409436261 350479024 /nfs/dbraw/zinc/47/90/24/350479024.db2.gz YXFZTBPJGIGWEJ-NEPJUHHUSA-N 2 1 212.337 1.084 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1C[NH2+]C1 ZINC000306840319 351150345 /nfs/dbraw/zinc/15/03/45/351150345.db2.gz ZMYYPXDXHDFPAY-ZDUSSCGKSA-N 2 1 245.370 1.165 10 0 BDAEMP C[C@H]1C[C@@]2(C[NH+]=C(N)O2)C[N@H+]1Cc1ccccc1 ZINC000306826927 351136811 /nfs/dbraw/zinc/13/68/11/351136811.db2.gz AQSJBVPWSGXQTA-SMDDNHRTSA-N 2 1 245.326 1.365 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH3+])C1 ZINC000307021006 351428862 /nfs/dbraw/zinc/42/88/62/351428862.db2.gz CYKOCJWEVBCCLU-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CSCC[N@H+](C2CC([NH3+])C2)C1 ZINC000307076058 351464767 /nfs/dbraw/zinc/46/47/67/351464767.db2.gz KXTDZLJPHNBLJH-IDKOKCKLSA-N 2 1 200.351 1.161 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@H]1CC[C@]([NH3+])(CO)C1 ZINC000307159221 351509587 /nfs/dbraw/zinc/50/95/87/351509587.db2.gz UEIFDFMSGWKHLX-UONOGXRCSA-N 2 1 234.343 1.361 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@@H+](C)C1CC([NH3+])C1 ZINC000307245323 351753442 /nfs/dbraw/zinc/75/34/42/351753442.db2.gz VQHOPXYJRQQHJT-SEZDTBSWSA-N 2 1 200.351 1.159 10 0 BDAEMP C1C[N@H+]2CCCC[C@H]2[C@@H]1N1CCC[NH2+]CCC1 ZINC000049667865 187608647 /nfs/dbraw/zinc/60/86/47/187608647.db2.gz WLWRQAIZSPOYKD-UONOGXRCSA-N 2 1 237.391 1.299 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1c(F)ccc(Cl)c1F ZINC000307356039 352324791 /nfs/dbraw/zinc/32/47/91/352324791.db2.gz YZJBREBLTXRRIC-ZETCQYMHSA-N 2 1 220.650 1.967 10 0 BDAEMP CCC[C@@H](C)C(=O)N1CC[NH+]=C1CC[NH3+] ZINC000725272499 538104055 /nfs/dbraw/zinc/10/40/55/538104055.db2.gz NBIHLIYJHVNTFT-SECBINFHSA-N 2 1 211.309 1.012 10 0 BDAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000074174596 538105656 /nfs/dbraw/zinc/10/56/56/538105656.db2.gz FALAUYKCTAIKNT-VXGBXAGGSA-N 2 1 208.280 1.920 10 0 BDAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000074174596 538105657 /nfs/dbraw/zinc/10/56/57/538105657.db2.gz FALAUYKCTAIKNT-VXGBXAGGSA-N 2 1 208.280 1.920 10 0 BDAEMP CC(C)C[C@H](C)[N@@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000042562749 188293672 /nfs/dbraw/zinc/29/36/72/188293672.db2.gz LDAUSPGXEXEZOX-LBPRGKRZSA-N 2 1 243.395 1.160 10 0 BDAEMP CC(C)[N@@H+](CCCO)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042498981 188294174 /nfs/dbraw/zinc/29/41/74/188294174.db2.gz YCZXUILTYDVNLO-ZIAGYGMSSA-N 2 1 242.407 1.987 10 0 BDAEMP CC(C)[C@H](CN(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000049332735 188298665 /nfs/dbraw/zinc/29/86/65/188298665.db2.gz HSNYBXLWVOWOEV-AWEZNQCLSA-N 2 1 241.423 1.648 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](CCc2ccco2)[C@@H](C)C1 ZINC000049713514 188299196 /nfs/dbraw/zinc/29/91/96/188299196.db2.gz INWSGNAENYKORQ-NWDGAFQWSA-N 2 1 222.332 1.894 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](CCc2ccco2)[C@@H](C)C1 ZINC000049713514 188299198 /nfs/dbraw/zinc/29/91/98/188299198.db2.gz INWSGNAENYKORQ-NWDGAFQWSA-N 2 1 222.332 1.894 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052015179 188299898 /nfs/dbraw/zinc/29/98/98/188299898.db2.gz FJUMRSWHHPFQIJ-NEPJUHHUSA-N 2 1 223.320 1.085 10 0 BDAEMP C([C@@H]1CCCO1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190284 188304166 /nfs/dbraw/zinc/30/41/66/188304166.db2.gz OERPJYRKGYWBIQ-IHRRRGAJSA-N 2 1 238.375 1.772 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190284 188304168 /nfs/dbraw/zinc/30/41/68/188304168.db2.gz OERPJYRKGYWBIQ-IHRRRGAJSA-N 2 1 238.375 1.772 10 0 BDAEMP C[NH2+]Cc1ccc(Cn2cc[nH+]c2C)o1 ZINC000052576079 188333294 /nfs/dbraw/zinc/33/32/94/188333294.db2.gz DODWHFQTJLDONP-UHFFFAOYSA-N 2 1 205.261 1.552 10 0 BDAEMP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])[C@H]1CCOC1 ZINC000252339130 363229270 /nfs/dbraw/zinc/22/92/70/363229270.db2.gz QTVBTQPQRIRMOY-LSDHHAIUSA-N 2 1 248.370 1.872 10 0 BDAEMP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])[C@H]1CCOC1 ZINC000252339130 363229274 /nfs/dbraw/zinc/22/92/74/363229274.db2.gz QTVBTQPQRIRMOY-LSDHHAIUSA-N 2 1 248.370 1.872 10 0 BDAEMP CC1(C)C[N@H+](CCC[NH+]2CCCC2)CC[C@H]1O ZINC000305755172 192018206 /nfs/dbraw/zinc/01/82/06/192018206.db2.gz QVTMRPGMCCCROS-CYBMUJFWSA-N 2 1 240.391 1.565 10 0 BDAEMP CC1(C)C[N@@H+](CCC[NH+]2CCCC2)CC[C@H]1O ZINC000305755172 192018207 /nfs/dbraw/zinc/01/82/07/192018207.db2.gz QVTMRPGMCCCROS-CYBMUJFWSA-N 2 1 240.391 1.565 10 0 BDAEMP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@@]1(C)C[NH3+] ZINC000420283260 192199947 /nfs/dbraw/zinc/19/99/47/192199947.db2.gz NPYAPVUYHSYDMU-NOZJJQNGSA-N 2 1 245.330 1.379 10 0 BDAEMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000389925274 357068537 /nfs/dbraw/zinc/06/85/37/357068537.db2.gz VQJLQXDJIMSPJY-DZGCQCFKSA-N 2 1 248.370 1.791 10 0 BDAEMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000393831485 357302553 /nfs/dbraw/zinc/30/25/53/357302553.db2.gz KPIACKICSDNBJV-RHYQMDGZSA-N 2 1 232.331 1.207 10 0 BDAEMP CCOc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685946686 538887081 /nfs/dbraw/zinc/88/70/81/538887081.db2.gz USPLMUHGKRSOAU-CHWSQXEVSA-N 2 1 220.316 1.490 10 0 BDAEMP CC[C@@H]1C[N@@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951177 538894444 /nfs/dbraw/zinc/89/44/44/538894444.db2.gz OUYJTOLOOPBFPT-SDDRHHMPSA-N 2 1 226.364 1.341 10 0 BDAEMP CC[C@@H]1C[N@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951177 538894446 /nfs/dbraw/zinc/89/44/46/538894446.db2.gz OUYJTOLOOPBFPT-SDDRHHMPSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1C[N@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C[C@H](C)O1 ZINC000685950961 538894763 /nfs/dbraw/zinc/89/47/63/538894763.db2.gz JRXAFXCGPCZSIK-FIQHERPVSA-N 2 1 226.364 1.340 10 0 BDAEMP C[C@@H]1C[N@@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C[C@H](C)O1 ZINC000685950961 538894764 /nfs/dbraw/zinc/89/47/64/538894764.db2.gz JRXAFXCGPCZSIK-FIQHERPVSA-N 2 1 226.364 1.340 10 0 BDAEMP C[C@@H]1C[C@H](O)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000639940296 357951351 /nfs/dbraw/zinc/95/13/51/357951351.db2.gz VYYGIJIFEWIBHJ-JHJVBQTASA-N 2 1 226.364 1.316 10 0 BDAEMP C[C@@H]1C[C@H](O)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000639940296 357951355 /nfs/dbraw/zinc/95/13/55/357951355.db2.gz VYYGIJIFEWIBHJ-JHJVBQTASA-N 2 1 226.364 1.316 10 0 BDAEMP CC(C)(C)[NH2+]CC[C@@]([NH3+])(O)Cc1ccccc1 ZINC000584596976 358254492 /nfs/dbraw/zinc/25/44/92/358254492.db2.gz RLKSIAJPJMDNJH-CQSZACIVSA-N 2 1 236.359 1.655 10 0 BDAEMP C[N@@H+]1CCN2c3ccccc3C=[NH+]C[C@H]2C1 ZINC000584651166 358306160 /nfs/dbraw/zinc/30/61/60/358306160.db2.gz DZPRYHHMJAWJQK-LBPRGKRZSA-N 2 1 215.300 1.240 10 0 BDAEMP C[N@H+]1CCN2c3ccccc3C=[NH+]C[C@H]2C1 ZINC000584651166 358306161 /nfs/dbraw/zinc/30/61/61/358306161.db2.gz DZPRYHHMJAWJQK-LBPRGKRZSA-N 2 1 215.300 1.240 10 0 BDAEMP CCCC1([NH+]2CCOCC2)CC[NH2+]CC1 ZINC000584643960 358329457 /nfs/dbraw/zinc/32/94/57/358329457.db2.gz NKJJYDIPJLPHBV-UHFFFAOYSA-N 2 1 212.337 1.241 10 0 BDAEMP COC[C@H](C)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226451529 358339796 /nfs/dbraw/zinc/33/97/96/358339796.db2.gz IPGWCSUFAGNMFG-VXGBXAGGSA-N 2 1 214.353 1.343 10 0 BDAEMP C[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000299979053 358972582 /nfs/dbraw/zinc/97/25/82/358972582.db2.gz RXLVACGMDNXSAR-AAEUAGOBSA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000299979053 358972586 /nfs/dbraw/zinc/97/25/86/358972586.db2.gz RXLVACGMDNXSAR-AAEUAGOBSA-N 2 1 204.317 1.856 10 0 BDAEMP CS[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H]([NH3+])C1 ZINC000300388086 358981967 /nfs/dbraw/zinc/98/19/67/358981967.db2.gz NRLRLLWGAAQXOK-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H]([NH3+])C1 ZINC000300388086 358981970 /nfs/dbraw/zinc/98/19/70/358981970.db2.gz NRLRLLWGAAQXOK-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP c1cn(CCC[NH2+][C@@H]2CC[NH2+]C2)c2ccccc12 ZINC000094075378 360295234 /nfs/dbraw/zinc/29/52/34/360295234.db2.gz WPHDKOFOIFTBAN-CQSZACIVSA-N 2 1 243.354 1.983 10 0 BDAEMP C[C@H]1C[C@]2(COC(=[NH2+])N2)C[N@H+]1Cc1ccccc1 ZINC000306565393 360445659 /nfs/dbraw/zinc/44/56/59/360445659.db2.gz YBPXZGYMVAXPEW-SMDDNHRTSA-N 2 1 245.326 1.365 10 0 BDAEMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCSC1 ZINC000224531517 360434061 /nfs/dbraw/zinc/43/40/61/360434061.db2.gz MVNHYKAPQZYFHR-CHWSQXEVSA-N 2 1 236.384 1.857 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000379723340 361360335 /nfs/dbraw/zinc/36/03/35/361360335.db2.gz NHWIOYURZJFRKO-FRRDWIJNSA-N 2 1 240.391 1.610 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000379723340 361360337 /nfs/dbraw/zinc/36/03/37/361360337.db2.gz NHWIOYURZJFRKO-FRRDWIJNSA-N 2 1 240.391 1.610 10 0 BDAEMP CO[C@@H]1C[N@@H+](CCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630369879 364087538 /nfs/dbraw/zinc/08/75/38/364087538.db2.gz XGHBHAXXZSOAJS-QWHCGFSZSA-N 2 1 226.364 1.615 10 0 BDAEMP CC[C@H]([NH2+]C1CCC(C)(C[NH3+])CC1)C(=O)OC ZINC000725262669 541335897 /nfs/dbraw/zinc/33/58/97/541335897.db2.gz APLNCWBSIHIODF-AKJDGMEZSA-N 2 1 242.363 1.435 10 0 BDAEMP CCc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)nc(C)[nH+]1 ZINC000630532334 364221544 /nfs/dbraw/zinc/22/15/44/364221544.db2.gz HXLWSIPHPVBEKC-BXKDBHETSA-N 2 1 234.347 1.900 10 0 BDAEMP [NH3+]CC1CCC2(CC[N@H+](C3CC3)C2)CC1 ZINC000095077539 181363655 /nfs/dbraw/zinc/36/36/55/181363655.db2.gz GCUKZWFXDPZBAC-UHFFFAOYSA-N 2 1 208.349 1.990 10 0 BDAEMP Cc1cnccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000384906622 367754372 /nfs/dbraw/zinc/75/43/72/367754372.db2.gz AOVONUGZGRHLFE-MJBXVCDLSA-N 2 1 231.343 1.559 10 0 BDAEMP C[C@H]1C[N@H+]([C@H]2CCCSC2)CCC[NH2+]1 ZINC000252979141 368176658 /nfs/dbraw/zinc/17/66/58/368176658.db2.gz GJEVSFWVVVHYBG-QWRGUYRKSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000223597479 368364555 /nfs/dbraw/zinc/36/45/55/368364555.db2.gz ZEPOQCRUBRTUSL-OLZOCXBDSA-N 2 1 247.386 1.842 10 0 BDAEMP C[C@H]([NH3+])c1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)cc1 ZINC000223597479 368364563 /nfs/dbraw/zinc/36/45/63/368364563.db2.gz ZEPOQCRUBRTUSL-OLZOCXBDSA-N 2 1 247.386 1.842 10 0 BDAEMP C[C@H]([NH3+])c1ccc(C[N@H+]2CCN(C)[C@H](C)C2)cc1 ZINC000223597479 368364567 /nfs/dbraw/zinc/36/45/67/368364567.db2.gz ZEPOQCRUBRTUSL-OLZOCXBDSA-N 2 1 247.386 1.842 10 0 BDAEMP c1ncc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000131440164 371604629 /nfs/dbraw/zinc/60/46/29/371604629.db2.gz YXBIIYRKZZRCKJ-SECBINFHSA-N 2 1 211.334 1.375 10 0 BDAEMP [NH3+]C[C@@H]1CCCC[N@H+](C2CSC2)C1 ZINC000215781522 371628692 /nfs/dbraw/zinc/62/86/92/371628692.db2.gz YLGDKIBAJCRUIE-VIFPVBQESA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1C[NH2+][C@]2(CC[N@@H+](C)[C@@H](C)C2)S1 ZINC000226850611 371751945 /nfs/dbraw/zinc/75/19/45/371751945.db2.gz AWIVFFDPRLPXNA-IVZWLZJFSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@H]1C[N@@H+](C[Si](C)(C)C)CC[C@@H]1[NH3+] ZINC000401638613 371796426 /nfs/dbraw/zinc/79/64/26/371796426.db2.gz GODILJJHBWUOJY-UWVGGRQHSA-N 2 1 200.402 1.533 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@H+]1CC(C)(C)C[NH3+] ZINC000132516481 371847452 /nfs/dbraw/zinc/84/74/52/371847452.db2.gz IMUVDYHGCWHFGV-ZJUUUORDSA-N 2 1 216.394 1.797 10 0 BDAEMP CC[NH+](CC)CCNC[C@@H]1CCC[N@H+]1C ZINC000229305110 372138790 /nfs/dbraw/zinc/13/87/90/372138790.db2.gz QCRDWPTZXGYFRD-LBPRGKRZSA-N 2 1 213.369 1.012 10 0 BDAEMP CCc1noc(C)c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839226 372635853 /nfs/dbraw/zinc/63/58/53/372635853.db2.gz CAWBGECRAPFXLO-ONGXEEELSA-N 2 1 237.347 1.572 10 0 BDAEMP OC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132258361 183141150 /nfs/dbraw/zinc/14/11/50/183141150.db2.gz LRTLEFDXKDOVKW-JSGCOSHPSA-N 2 1 234.343 1.309 10 0 BDAEMP Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994575 183268498 /nfs/dbraw/zinc/26/84/98/183268498.db2.gz LEEKNRXKEBQBTO-AWEZNQCLSA-N 2 1 232.327 1.578 10 0 BDAEMP Oc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994575 183268501 /nfs/dbraw/zinc/26/85/01/183268501.db2.gz LEEKNRXKEBQBTO-AWEZNQCLSA-N 2 1 232.327 1.578 10 0 BDAEMP CCC[N@H+](CCC[NH3+])CC(=O)N[C@H](C)C(C)C ZINC000049307601 169156608 /nfs/dbraw/zinc/15/66/08/169156608.db2.gz HXHMBPDJHUAGMQ-GFCCVEGCSA-N 2 1 243.395 1.208 10 0 BDAEMP CCC[N@@H+](CCC[NH3+])CC(=O)N[C@H](C)C(C)C ZINC000049307601 169156610 /nfs/dbraw/zinc/15/66/10/169156610.db2.gz HXHMBPDJHUAGMQ-GFCCVEGCSA-N 2 1 243.395 1.208 10 0 BDAEMP CCC[NH2+][C@H](CC[N@H+](CC)[C@@H](C)CC)C(N)=O ZINC000062446501 169289305 /nfs/dbraw/zinc/28/93/05/169289305.db2.gz ODHWEPLWJOEDEX-NWDGAFQWSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[NH2+][C@H](CC[N@@H+](CC)[C@@H](C)CC)C(N)=O ZINC000062446501 169289307 /nfs/dbraw/zinc/28/93/07/169289307.db2.gz ODHWEPLWJOEDEX-NWDGAFQWSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[NH2+]C[C@H](C)C[N@H+](C)C1CCN(C)CC1 ZINC000052419797 169263091 /nfs/dbraw/zinc/26/30/91/169263091.db2.gz UCTHEUQLNGRBCT-ZDUSSCGKSA-N 2 1 241.423 1.648 10 0 BDAEMP CCC[NH2+]C[C@H](C)C[N@@H+](C)C1CCN(C)CC1 ZINC000052419797 169263092 /nfs/dbraw/zinc/26/30/92/169263092.db2.gz UCTHEUQLNGRBCT-ZDUSSCGKSA-N 2 1 241.423 1.648 10 0 BDAEMP CCC[NH2+]C[C@H]1CCCN1c1[nH+]ccn1CC ZINC000053693589 169264446 /nfs/dbraw/zinc/26/44/46/169264446.db2.gz GJLMPYILQTVBCF-GFCCVEGCSA-N 2 1 236.363 1.871 10 0 BDAEMP CCC[NH2+]C[C@]1(C[N@@H+](C)CC(C)C)CCOC1 ZINC000051215642 169264573 /nfs/dbraw/zinc/26/45/73/169264573.db2.gz GAJFLEKORCKZRE-AWEZNQCLSA-N 2 1 242.407 1.981 10 0 BDAEMP CCC[NH2+][C@@H](CC[N@@H+]1CCCC1(C)C)C(N)=O ZINC000063072868 169277772 /nfs/dbraw/zinc/27/77/72/169277772.db2.gz HJIIYHUYRCSMBC-NSHDSACASA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+][C@@H](CC[N@H+]1CCCC1(C)C)C(N)=O ZINC000063072868 169277773 /nfs/dbraw/zinc/27/77/73/169277773.db2.gz HJIIYHUYRCSMBC-NSHDSACASA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+][C@@H]1CCOC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926620 169283079 /nfs/dbraw/zinc/28/30/79/169283079.db2.gz FBNGDGURXUQTOG-OLZOCXBDSA-N 2 1 237.347 1.830 10 0 BDAEMP CCC[NH2+][C@H]1CC[N@H+]([C@@H]2CCCOC2)C[C@@H]1C ZINC000103962890 169291726 /nfs/dbraw/zinc/29/17/26/169291726.db2.gz HCSSQLUSUPVLCN-MJBXVCDLSA-N 2 1 240.391 1.875 10 0 BDAEMP C[C@@H](CC1CC1)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371480399 383830109 /nfs/dbraw/zinc/83/01/09/383830109.db2.gz NYYQZHWFKMIFHU-CMPLNLGQSA-N 2 1 219.332 1.976 10 0 BDAEMP COC1(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCCC1 ZINC000319225145 384214177 /nfs/dbraw/zinc/21/41/77/384214177.db2.gz UGTRSKWHGFIZAV-AVGNSLFASA-N 2 1 238.375 1.615 10 0 BDAEMP C[N@@H+](CC(=O)c1ccco1)CC1CC[NH2+]CC1 ZINC000095071328 384340434 /nfs/dbraw/zinc/34/04/34/384340434.db2.gz STKUFPIZGIXRJZ-UHFFFAOYSA-N 2 1 236.315 1.394 10 0 BDAEMP C[N@H+](CC(=O)c1ccco1)CC1CC[NH2+]CC1 ZINC000095071328 384340440 /nfs/dbraw/zinc/34/04/40/384340440.db2.gz STKUFPIZGIXRJZ-UHFFFAOYSA-N 2 1 236.315 1.394 10 0 BDAEMP C[C@H](CCN(C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729395 384678663 /nfs/dbraw/zinc/67/86/63/384678663.db2.gz BPHGYVFHHFAERR-VOMCLLRMSA-N 2 1 213.369 1.186 10 0 BDAEMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000177244917 384926486 /nfs/dbraw/zinc/92/64/86/384926486.db2.gz KNORBRWBRRFRHH-DGCLKSJQSA-N 2 1 226.364 1.221 10 0 BDAEMP Cc1c(C[NH2+][C@@H](C)CC[NH+](C)C)cnn1C ZINC000086552019 385027021 /nfs/dbraw/zinc/02/70/21/385027021.db2.gz BZIOVEJQBLXTKQ-JTQLQIEISA-N 2 1 224.352 1.158 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCSC1)C2 ZINC000309087128 385410842 /nfs/dbraw/zinc/41/08/42/385410842.db2.gz ZBOXERQSEZEMFF-NXEZZACHSA-N 2 1 223.345 1.293 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCSC1)C2 ZINC000309087131 385411967 /nfs/dbraw/zinc/41/19/67/385411967.db2.gz ZBOXERQSEZEMFF-ZJUUUORDSA-N 2 1 223.345 1.293 10 0 BDAEMP CN(C)C[C@@H]1C[N@@H+](C[Si](C)(C)C)CCO1 ZINC000171746718 385513576 /nfs/dbraw/zinc/51/35/76/385513576.db2.gz CFJKABLSXUFDKH-LLVKDONJSA-N 2 1 230.428 1.126 10 0 BDAEMP C[NH+](C)C[C@@H]1CN(C[Si](C)(C)C)CCO1 ZINC000171746718 385513580 /nfs/dbraw/zinc/51/35/80/385513580.db2.gz CFJKABLSXUFDKH-LLVKDONJSA-N 2 1 230.428 1.126 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1cc(Br)cs1 ZINC000259516733 385533392 /nfs/dbraw/zinc/53/33/92/385533392.db2.gz VOCLOWJHLBMMJJ-ZCFIWIBFSA-N 2 1 235.150 1.859 10 0 BDAEMP C([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCCSC1 ZINC000307028909 385648915 /nfs/dbraw/zinc/64/89/15/385648915.db2.gz BPFRSWJQHDPSAG-VHSXEESVSA-N 2 1 200.351 1.081 10 0 BDAEMP C([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCCSC1 ZINC000307028384 385649618 /nfs/dbraw/zinc/64/96/18/385649618.db2.gz BPFRSWJQHDPSAG-NXEZZACHSA-N 2 1 200.351 1.081 10 0 BDAEMP Cc1cncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000310307149 386176139 /nfs/dbraw/zinc/17/61/39/386176139.db2.gz CXULSKYCEYRRKR-IHRRRGAJSA-N 2 1 231.343 1.559 10 0 BDAEMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@H](C)O)CC1 ZINC000414702091 386208289 /nfs/dbraw/zinc/20/82/89/386208289.db2.gz WWLXLNZSXFCSDW-YPMHNXCESA-N 2 1 228.380 1.453 10 0 BDAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336776850 386404057 /nfs/dbraw/zinc/40/40/57/386404057.db2.gz GUZLAWNCQCWRHF-TUAOUCFPSA-N 2 1 232.343 1.027 10 0 BDAEMP CCOC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396540657 386772427 /nfs/dbraw/zinc/77/24/27/386772427.db2.gz AKZYWZJLUFVPMR-HBNTYKKESA-N 2 1 200.326 1.142 10 0 BDAEMP C[C@@H]([C@H]1C[C@H]1C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000320928681 387014199 /nfs/dbraw/zinc/01/41/99/387014199.db2.gz BQZCKKVMLGQWMG-NAWOPXAZSA-N 2 1 210.365 1.948 10 0 BDAEMP COc1ccc(F)c([C@H]([NH3+])CC[NH3+])c1F ZINC000575438143 387115022 /nfs/dbraw/zinc/11/50/22/387115022.db2.gz FNJJWTIESAJZRQ-SSDOTTSWSA-N 2 1 216.231 1.322 10 0 BDAEMP C[C@@H]1C[C@H](C2CC[NH2+]CC2)C[C@H](O)[N@H+]1C ZINC000536950648 387162300 /nfs/dbraw/zinc/16/23/00/387162300.db2.gz QNJMGHVWOFZSOG-USWWRNFRSA-N 2 1 212.337 1.035 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2C[C@H]([NH3+])C2)CCS1 ZINC000575485413 387253818 /nfs/dbraw/zinc/25/38/18/387253818.db2.gz OOMAUUDILLTUPM-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP CC1(C)C[NH+](C[C@@H]2C[NH2+]CCS2)C1 ZINC000575522789 387443770 /nfs/dbraw/zinc/44/37/70/387443770.db2.gz RUQJVQQKMQWVGX-VIFPVBQESA-N 2 1 200.351 1.033 10 0 BDAEMP CC1(C)C[N@@H+](C2CSC2)CCC[NH2+]1 ZINC000575551722 387652556 /nfs/dbraw/zinc/65/25/56/387652556.db2.gz YLPBTVFGXGLGPW-UHFFFAOYSA-N 2 1 200.351 1.176 10 0 BDAEMP CC1(C)C[N@H+](C2CSC2)CCC[NH2+]1 ZINC000575551722 387652560 /nfs/dbraw/zinc/65/25/60/387652560.db2.gz YLPBTVFGXGLGPW-UHFFFAOYSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]1(C)[NH3+] ZINC000575562191 387700796 /nfs/dbraw/zinc/70/07/96/387700796.db2.gz YYYPAMRIHZJRRD-WCQYABFASA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(C)[NH3+] ZINC000575562191 387700799 /nfs/dbraw/zinc/70/07/99/387700799.db2.gz YYYPAMRIHZJRRD-WCQYABFASA-N 2 1 204.317 1.998 10 0 BDAEMP CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422972460 387821790 /nfs/dbraw/zinc/82/17/90/387821790.db2.gz LRDTVWHCKMXJNO-MJBXVCDLSA-N 2 1 239.407 1.306 10 0 BDAEMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422972460 387821793 /nfs/dbraw/zinc/82/17/93/387821793.db2.gz LRDTVWHCKMXJNO-MJBXVCDLSA-N 3 1 239.407 1.306 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422972460 387821795 /nfs/dbraw/zinc/82/17/95/387821795.db2.gz LRDTVWHCKMXJNO-MJBXVCDLSA-N 3 1 239.407 1.306 10 0 BDAEMP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)O1 ZINC000193606359 387858983 /nfs/dbraw/zinc/85/89/83/387858983.db2.gz BGXOKFMKDHJIEB-NDBYEHHHSA-N 2 1 224.348 1.047 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)O1 ZINC000193606359 387858986 /nfs/dbraw/zinc/85/89/86/387858986.db2.gz BGXOKFMKDHJIEB-NDBYEHHHSA-N 2 1 224.348 1.047 10 0 BDAEMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[NH3+] ZINC000261528456 135153544 /nfs/dbraw/zinc/15/35/44/135153544.db2.gz LVCYRABJXINZRV-VIFPVBQESA-N 2 1 212.724 1.819 10 0 BDAEMP C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCS1 ZINC000575522377 388359141 /nfs/dbraw/zinc/35/91/41/388359141.db2.gz BZLHUOKKNDRPQJ-ZJUUUORDSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCS1 ZINC000575522377 388359143 /nfs/dbraw/zinc/35/91/43/388359143.db2.gz BZLHUOKKNDRPQJ-ZJUUUORDSA-N 2 1 200.351 1.176 10 0 BDAEMP CC[NH2+]CCCNc1[nH+]cnc2[nH]ccc21 ZINC000572706498 388368992 /nfs/dbraw/zinc/36/89/92/388368992.db2.gz MNEACMIJBNFGID-UHFFFAOYSA-N 2 1 219.292 1.321 10 0 BDAEMP CC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566089450 388986840 /nfs/dbraw/zinc/98/68/40/388986840.db2.gz WYAWUVZXKGHEOI-MGPQQGTHSA-N 2 1 239.407 1.306 10 0 BDAEMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566089450 388986842 /nfs/dbraw/zinc/98/68/42/388986842.db2.gz WYAWUVZXKGHEOI-MGPQQGTHSA-N 3 1 239.407 1.306 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566089450 388986844 /nfs/dbraw/zinc/98/68/44/388986844.db2.gz WYAWUVZXKGHEOI-MGPQQGTHSA-N 3 1 239.407 1.306 10 0 BDAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]12C[C@@H]([NH3+])CO2 ZINC000575508447 388998416 /nfs/dbraw/zinc/99/84/16/388998416.db2.gz LXOGYKJKBIUWKC-CFVMTHIKSA-N 2 1 246.354 1.767 10 0 BDAEMP COCC[N@H+]1CCN(c2cc[nH+]c(C)c2)C[C@@H]1C ZINC000274372695 132202846 /nfs/dbraw/zinc/20/28/46/132202846.db2.gz QNIUGUQMGGVPHV-ZDUSSCGKSA-N 2 1 249.358 1.547 10 0 BDAEMP C[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000013488367 132293098 /nfs/dbraw/zinc/29/30/98/132293098.db2.gz CXDXEQLVIUNPDR-ZCFIWIBFSA-N 2 1 237.694 1.135 10 0 BDAEMP Cc1ccc[nH+]c1N1CCC[C@H](C[NH3+])C1 ZINC000051041285 132359759 /nfs/dbraw/zinc/35/97/59/132359759.db2.gz YYCMJBRURKALQA-LLVKDONJSA-N 2 1 205.305 1.565 10 0 BDAEMP [NH3+][C@@H]1C[C@H]([NH2+]CCCO)c2ccccc21 ZINC000169234801 134249904 /nfs/dbraw/zinc/24/99/04/134249904.db2.gz YIZGIYGJSUUBQV-NEPJUHHUSA-N 2 1 206.289 1.103 10 0 BDAEMP CCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174903229 134283520 /nfs/dbraw/zinc/28/35/20/134283520.db2.gz IFBMWPLRMOPKIR-CQSZACIVSA-N 2 1 239.407 1.498 10 0 BDAEMP CCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174903229 134283521 /nfs/dbraw/zinc/28/35/21/134283521.db2.gz IFBMWPLRMOPKIR-CQSZACIVSA-N 2 1 239.407 1.498 10 0 BDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCn1ccnc1 ZINC000183178615 134348878 /nfs/dbraw/zinc/34/88/78/134348878.db2.gz DNZUWGXEAVPVOC-ZIAGYGMSSA-N 2 1 248.374 1.442 10 0 BDAEMP C[C@H](O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541357 134382669 /nfs/dbraw/zinc/38/26/69/134382669.db2.gz KEEJRILJRMIOBX-BIMULSAOSA-N 2 1 220.316 1.492 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000250614808 135056401 /nfs/dbraw/zinc/05/64/01/135056401.db2.gz IGLRCYNAQNZXFJ-YNEHKIRRSA-N 2 1 226.364 1.485 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000250614808 135056402 /nfs/dbraw/zinc/05/64/02/135056402.db2.gz IGLRCYNAQNZXFJ-YNEHKIRRSA-N 2 1 226.364 1.485 10 0 BDAEMP C[NH+](C)CCC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000252459206 135090817 /nfs/dbraw/zinc/09/08/17/135090817.db2.gz WVOZSFOPEULKHG-VXGBXAGGSA-N 2 1 214.353 1.031 10 0 BDAEMP CC1(C)C[N@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000258668066 135132851 /nfs/dbraw/zinc/13/28/51/135132851.db2.gz FGKGNSBRDWYQIS-LBPRGKRZSA-N 2 1 219.332 1.641 10 0 BDAEMP CC1(C)C[N@@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000258668066 135132852 /nfs/dbraw/zinc/13/28/52/135132852.db2.gz FGKGNSBRDWYQIS-LBPRGKRZSA-N 2 1 219.332 1.641 10 0 BDAEMP COC[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527670 135151895 /nfs/dbraw/zinc/15/18/95/135151895.db2.gz FPYSCQJXVUOPEQ-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP FC1(F)CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261538290 135175462 /nfs/dbraw/zinc/17/54/62/135175462.db2.gz WOWXKQJZLJMEIF-SDDRHHMPSA-N 2 1 244.329 1.963 10 0 BDAEMP Cc1cccnc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261541872 135181879 /nfs/dbraw/zinc/18/18/79/135181879.db2.gz BRPRDKQXYSZFSO-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1cccnc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261541872 135181881 /nfs/dbraw/zinc/18/18/81/135181881.db2.gz BRPRDKQXYSZFSO-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261542614 135182956 /nfs/dbraw/zinc/18/29/56/135182956.db2.gz GZALXOLSBZZAQO-TUAOUCFPSA-N 2 1 212.337 1.095 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261542614 135182957 /nfs/dbraw/zinc/18/29/57/135182957.db2.gz GZALXOLSBZZAQO-TUAOUCFPSA-N 2 1 212.337 1.095 10 0 BDAEMP Cc1c(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cnn1C ZINC000261562671 135204325 /nfs/dbraw/zinc/20/43/25/135204325.db2.gz WMDGJYQZTISRCK-LBPRGKRZSA-N 2 1 236.363 1.288 10 0 BDAEMP Cc1c(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cnn1C ZINC000261562671 135204327 /nfs/dbraw/zinc/20/43/27/135204327.db2.gz WMDGJYQZTISRCK-LBPRGKRZSA-N 2 1 236.363 1.288 10 0 BDAEMP Fc1cncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261985329 135269753 /nfs/dbraw/zinc/26/97/53/135269753.db2.gz JROXCCRVHFRNCX-UHFFFAOYSA-N 2 1 249.333 1.796 10 0 BDAEMP CC(C)NC(=O)CC[N@H+]1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000104157710 167041809 /nfs/dbraw/zinc/04/18/09/167041809.db2.gz XRTLYMYZMJMFEA-NWDGAFQWSA-N 2 1 241.379 1.103 10 0 BDAEMP CC(C)NC(=O)CC[N@@H+]1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000104157710 167041812 /nfs/dbraw/zinc/04/18/12/167041812.db2.gz XRTLYMYZMJMFEA-NWDGAFQWSA-N 2 1 241.379 1.103 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000660903992 409951212 /nfs/dbraw/zinc/95/12/12/409951212.db2.gz QQRBBCCPPSYAPZ-REWJHTLYSA-N 2 1 240.391 1.466 10 0 BDAEMP CC(C)C[NH2+]C[C@H]1CCCN1c1[nH+]ccn1C ZINC000053697411 167008273 /nfs/dbraw/zinc/00/82/73/167008273.db2.gz WKFPAWWGJAMVJS-GFCCVEGCSA-N 2 1 236.363 1.635 10 0 BDAEMP CC(C)[NH2+]CCNCCC[N@H+]1CCCC[C@@H]1C ZINC000049477774 167106447 /nfs/dbraw/zinc/10/64/47/167106447.db2.gz PFTLNNVNGZFFBZ-AWEZNQCLSA-N 2 1 241.423 1.839 10 0 BDAEMP CC[N@H+]1CC[C@H](CNC2=[NH+]CCCS2)C1 ZINC000037484489 170015628 /nfs/dbraw/zinc/01/56/28/170015628.db2.gz DVUBUEBHAOAJBF-SNVBAGLBSA-N 2 1 227.377 1.411 10 0 BDAEMP CC[N@H+]1CCc2nc(CC[NH3+])sc2C1 ZINC000019434424 170024833 /nfs/dbraw/zinc/02/48/33/170024833.db2.gz YXXGBUMJOWXKSN-UHFFFAOYSA-N 2 1 211.334 1.022 10 0 BDAEMP CC[NH2+]C(C)(C)CN1CCC[N@@H+](C)CC1 ZINC000061299642 170107874 /nfs/dbraw/zinc/10/78/74/170107874.db2.gz LYKYVHADZBWUPN-UHFFFAOYSA-N 2 1 213.369 1.012 10 0 BDAEMP CC[NH2+]C1CCN([C@H]2CC[N@H+]3CCC[C@H]23)CC1 ZINC000049568623 170110049 /nfs/dbraw/zinc/11/00/49/170110049.db2.gz XTXXBFZFNRDSTG-KGLIPLIRSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH2+]CCCCC[N@@H+](C)CCN1CCCC1 ZINC000063054143 170111714 /nfs/dbraw/zinc/11/17/14/170111714.db2.gz SIRGRGAXPPSJCO-UHFFFAOYSA-N 2 1 241.423 1.794 10 0 BDAEMP CC[NH2+]CCCCCN(C)CC[NH+]1CCCC1 ZINC000063054143 170111715 /nfs/dbraw/zinc/11/17/15/170111715.db2.gz SIRGRGAXPPSJCO-UHFFFAOYSA-N 2 1 241.423 1.794 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)nc2)C1 ZINC000062053799 170122867 /nfs/dbraw/zinc/12/28/67/170122867.db2.gz CTHWMHYOJYLNCJ-CQSZACIVSA-N 2 1 233.359 1.821 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000062053799 170122869 /nfs/dbraw/zinc/12/28/69/170122869.db2.gz CTHWMHYOJYLNCJ-CQSZACIVSA-N 2 1 233.359 1.821 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@H+](Cc2cccc(C)n2)C1 ZINC000053034891 170122874 /nfs/dbraw/zinc/12/28/74/170122874.db2.gz KGJBOODEFONKSS-CYBMUJFWSA-N 2 1 233.359 1.821 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000053034891 170122875 /nfs/dbraw/zinc/12/28/75/170122875.db2.gz KGJBOODEFONKSS-CYBMUJFWSA-N 2 1 233.359 1.821 10 0 BDAEMP CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095091547 170123862 /nfs/dbraw/zinc/12/38/62/170123862.db2.gz KRFQBCLKCBRFQB-GJZGRUSLSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000095091547 170123863 /nfs/dbraw/zinc/12/38/63/170123863.db2.gz KRFQBCLKCBRFQB-GJZGRUSLSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1C ZINC000104193746 170151298 /nfs/dbraw/zinc/15/12/98/170151298.db2.gz AKSNHMJMMMDSGU-GXTWGEPZSA-N 2 1 240.391 1.733 10 0 BDAEMP CC[NH2+][C@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000062524143 170161565 /nfs/dbraw/zinc/16/15/65/170161565.db2.gz XAUZPWBAYTVBBY-NWDGAFQWSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[NH2+][C@H](CC[N@@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000062524143 170161566 /nfs/dbraw/zinc/16/15/66/170161566.db2.gz XAUZPWBAYTVBBY-NWDGAFQWSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+]1CCCOCC1 ZINC000061934630 170166523 /nfs/dbraw/zinc/16/65/23/170166523.db2.gz CLUXPCCXNMIUCY-OLZOCXBDSA-N 2 1 226.364 1.487 10 0 BDAEMP CCOC(=O)CCCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048565 170199329 /nfs/dbraw/zinc/19/93/29/170199329.db2.gz LGYZXKGNQJGXRM-NWDGAFQWSA-N 2 1 242.363 1.389 10 0 BDAEMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000314935680 411898181 /nfs/dbraw/zinc/89/81/81/411898181.db2.gz RKBBIYMPIZVENI-YPMHNXCESA-N 2 1 237.347 1.510 10 0 BDAEMP CC[C@@H]1CC[N@H+](C2CCOCC2)CCC[NH2+]1 ZINC000049666362 171009799 /nfs/dbraw/zinc/00/97/99/171009799.db2.gz BFZHJWRRCXUBQR-GFCCVEGCSA-N 2 1 226.364 1.629 10 0 BDAEMP Cc1nocc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000662266742 412058441 /nfs/dbraw/zinc/05/84/41/412058441.db2.gz OQLRDEZMGLONKK-DLOVCJGASA-N 2 1 221.304 1.152 10 0 BDAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052570985 171109330 /nfs/dbraw/zinc/10/93/30/171109330.db2.gz LANCNRLFADRPTH-CMPLNLGQSA-N 2 1 238.331 1.738 10 0 BDAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccoc1C[NH3+] ZINC000052570985 171109332 /nfs/dbraw/zinc/10/93/32/171109332.db2.gz LANCNRLFADRPTH-CMPLNLGQSA-N 2 1 238.331 1.738 10 0 BDAEMP CCc1cccc(OCC[NH2+]CC[NH3+])c1 ZINC000039101302 171866091 /nfs/dbraw/zinc/86/60/91/171866091.db2.gz QNOLSZFOHBNDTI-UHFFFAOYSA-N 2 1 208.305 1.176 10 0 BDAEMP CCn1cc[nH+]c1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000050614253 172228200 /nfs/dbraw/zinc/22/82/00/172228200.db2.gz AMYVEECCZZLRAG-NWDGAFQWSA-N 2 1 234.347 1.942 10 0 BDAEMP C[N@H+]1CCCN(C(=[NH2+])NC2CCCCC2)CC1 ZINC000052045315 173009741 /nfs/dbraw/zinc/00/97/41/173009741.db2.gz KMZPSJMPFOPBLD-UHFFFAOYSA-N 2 1 238.379 1.481 10 0 BDAEMP C[N@H+]1CCCN(C2(C[NH3+])CCCCC2)CC1 ZINC000020217736 173014732 /nfs/dbraw/zinc/01/47/32/173014732.db2.gz TYUOVLQSXWKXMH-UHFFFAOYSA-N 2 1 225.380 1.286 10 0 BDAEMP C[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2N)C1 ZINC000040715741 173022504 /nfs/dbraw/zinc/02/25/04/173022504.db2.gz RXEQYLNITPEZMN-SECBINFHSA-N 2 1 206.293 1.170 10 0 BDAEMP CN1CCC[C@H]([N@@H+](C)C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000070578722 173044994 /nfs/dbraw/zinc/04/49/94/173044994.db2.gz JDAUDSOKZMFUGZ-RDBSUJKOSA-N 2 1 239.407 1.530 10 0 BDAEMP CN(C[C@H]([NH3+])c1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC000053244963 173045361 /nfs/dbraw/zinc/04/53/61/173045361.db2.gz ZQSHFOMBXVIQFO-GJZGRUSLSA-N 2 1 247.386 1.712 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000037484769 173116314 /nfs/dbraw/zinc/11/63/14/173116314.db2.gz SBKAXGIFUCZLNB-STQMWFEESA-N 2 1 208.349 1.884 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000037484722 173147802 /nfs/dbraw/zinc/14/78/02/173147802.db2.gz QELQSIPAXRMILR-GFCCVEGCSA-N 2 1 220.316 1.434 10 0 BDAEMP C[N@H+]1CC[C@]2(C[C@H](CC[NH3+])CS2)C1 ZINC000082382430 173168328 /nfs/dbraw/zinc/16/83/28/173168328.db2.gz MKIAQGADLFZJQY-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccncc1)C2 ZINC000048261657 173206185 /nfs/dbraw/zinc/20/61/85/173206185.db2.gz PRUUDWSCFMHQLX-GOOCMWNKSA-N 2 1 245.370 1.839 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCn1cccn1)C2 ZINC000042539263 173207177 /nfs/dbraw/zinc/20/71/77/173207177.db2.gz XMVIMCMPEKPLIS-YHWZYXNKSA-N 2 1 234.347 1.098 10 0 BDAEMP C[NH2+]CCC[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942440 173350386 /nfs/dbraw/zinc/35/03/86/173350386.db2.gz GTVCPWWYDUVBCF-UONOGXRCSA-N 2 1 239.407 1.545 10 0 BDAEMP C[NH2+]C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000077334475 173364510 /nfs/dbraw/zinc/36/45/10/173364510.db2.gz GHLIFMNGAXDQIX-WCQYABFASA-N 2 1 222.332 1.260 10 0 BDAEMP C[NH2+]C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000077334475 173364511 /nfs/dbraw/zinc/36/45/11/173364511.db2.gz GHLIFMNGAXDQIX-WCQYABFASA-N 2 1 222.332 1.260 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(C)n2)C1 ZINC000053034889 173371228 /nfs/dbraw/zinc/37/12/28/173371228.db2.gz JMKMPGCPQLQIKD-LBPRGKRZSA-N 2 1 219.332 1.431 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000053034889 173371229 /nfs/dbraw/zinc/37/12/29/173371229.db2.gz JMKMPGCPQLQIKD-LBPRGKRZSA-N 2 1 219.332 1.431 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@H+]2CCC[C@@H](C)C2)CCCOC1 ZINC000104321314 173373514 /nfs/dbraw/zinc/37/35/14/173373514.db2.gz YDHYMBGQOLOLAX-ZIAGYGMSSA-N 2 1 240.391 1.735 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@@H+](C)[C@@H](C)CC(C)C)CCOC1 ZINC000051258512 173373630 /nfs/dbraw/zinc/37/36/30/173373630.db2.gz VVIWTGVEEVXYGQ-UONOGXRCSA-N 2 1 242.407 1.979 10 0 BDAEMP C[NH2+]C[C@H](O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000019864112 173375883 /nfs/dbraw/zinc/37/58/83/173375883.db2.gz UVTBBGUQHKYGQN-AWEZNQCLSA-N 2 1 236.359 1.477 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2OC)C1 ZINC000011892004 173381789 /nfs/dbraw/zinc/38/17/89/173381789.db2.gz HQCZEQTULCKICY-CYBMUJFWSA-N 2 1 248.370 1.779 10 0 BDAEMP C[NH2+]Cc1cc(-n2cc[nH+]c2C)ccn1 ZINC000051491039 173386111 /nfs/dbraw/zinc/38/61/11/173386111.db2.gz HZXRVUOEVQZSQD-UHFFFAOYSA-N 2 1 202.261 1.295 10 0 BDAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@H]2C)on1 ZINC000052375813 173386648 /nfs/dbraw/zinc/38/66/48/173386648.db2.gz XCFQOKHOMVZRJN-SECBINFHSA-N 2 1 209.293 1.378 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@H+]1CC[C@@H](C)C1 ZINC000052484368 173391091 /nfs/dbraw/zinc/39/10/91/173391091.db2.gz AUHVWIIGXFIZIF-SNVBAGLBSA-N 2 1 208.305 1.841 10 0 BDAEMP COCC[N@@H+](C)CC[C@H]([NH3+])c1ccccc1C ZINC000054022127 174279016 /nfs/dbraw/zinc/27/90/16/174279016.db2.gz KABOXLPHQZWXJK-AWEZNQCLSA-N 2 1 236.359 1.963 10 0 BDAEMP COCC[N@H+](CCC(N)=[NH2+])Cc1cccc(C)c1 ZINC000071229227 174289071 /nfs/dbraw/zinc/28/90/71/174289071.db2.gz TVOQCVIUFRTHOV-UHFFFAOYSA-N 2 1 249.358 1.769 10 0 BDAEMP COCC[N@@H+](CCC(N)=[NH2+])Cc1cccc(C)c1 ZINC000071229227 174289073 /nfs/dbraw/zinc/28/90/73/174289073.db2.gz TVOQCVIUFRTHOV-UHFFFAOYSA-N 2 1 249.358 1.769 10 0 BDAEMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)C1CC1 ZINC000042689365 174296931 /nfs/dbraw/zinc/29/69/31/174296931.db2.gz DIQOPSPZHWKIKC-CHWSQXEVSA-N 2 1 240.391 1.733 10 0 BDAEMP COc1cccc(CC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000011891365 175252058 /nfs/dbraw/zinc/25/20/58/175252058.db2.gz OKJRFPZOILQEAF-ZDUSSCGKSA-N 2 1 234.343 1.518 10 0 BDAEMP COc1cccc2c1[nH+]c(N)n2CCC[NH+](C)C ZINC000013675165 175306635 /nfs/dbraw/zinc/30/66/35/175306635.db2.gz MUQHONXLYOIJKS-UHFFFAOYSA-N 2 1 248.330 1.579 10 0 BDAEMP C[C@@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000049553822 175671939 /nfs/dbraw/zinc/67/19/39/175671939.db2.gz JJKOFENTPLCLAA-MELADBBJSA-N 2 1 241.423 1.647 10 0 BDAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049553822 175671940 /nfs/dbraw/zinc/67/19/40/175671940.db2.gz JJKOFENTPLCLAA-MELADBBJSA-N 3 1 241.423 1.647 10 0 BDAEMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000049553822 175671942 /nfs/dbraw/zinc/67/19/42/175671942.db2.gz JJKOFENTPLCLAA-MELADBBJSA-N 3 1 241.423 1.647 10 0 BDAEMP C[C@@H](c1ccncc1)[NH+]1CCC[NH2+]CCC1 ZINC000049666714 176035866 /nfs/dbraw/zinc/03/58/66/176035866.db2.gz WYMIRQYIKIMBFN-LBPRGKRZSA-N 2 1 219.332 1.828 10 0 BDAEMP C[C@@H]1CC[N@H+](Cc2ccncc2)CCC[NH2+]1 ZINC000049666601 176176971 /nfs/dbraw/zinc/17/69/71/176176971.db2.gz SWOYGLOWUMVVCX-GFCCVEGCSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccncc2)CCC[NH2+]1 ZINC000049666601 176176972 /nfs/dbraw/zinc/17/69/72/176176972.db2.gz SWOYGLOWUMVVCX-GFCCVEGCSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)CC[C@@H](C)[NH2+]1 ZINC000049667039 176180888 /nfs/dbraw/zinc/18/08/88/176180888.db2.gz SDKZHYDVHCKDRP-MGPQQGTHSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@@H]1CC[NH+]([C@@H]2CCCN(C)C2)CC[C@@H](C)[NH2+]1 ZINC000049667039 176180890 /nfs/dbraw/zinc/18/08/90/176180890.db2.gz SDKZHYDVHCKDRP-MGPQQGTHSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@@H]1C[N@H+](CC2([NH3+])CCCCC2)CCCO1 ZINC000061934505 176284548 /nfs/dbraw/zinc/28/45/48/176284548.db2.gz ZWRRBSOYDFLENF-GFCCVEGCSA-N 2 1 226.364 1.759 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2([NH3+])CCCCC2)CCCO1 ZINC000061934505 176284549 /nfs/dbraw/zinc/28/45/49/176284549.db2.gz ZWRRBSOYDFLENF-GFCCVEGCSA-N 2 1 226.364 1.759 10 0 BDAEMP C[C@@H]1C[N@@H+](CCc2ccco2)CC[C@@H]1[NH3+] ZINC000049713499 176294770 /nfs/dbraw/zinc/29/47/70/176294770.db2.gz CLSBHJRVFZTYPK-PWSUYJOCSA-N 2 1 208.305 1.491 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)[C@H](C)CO1 ZINC000035782862 176302639 /nfs/dbraw/zinc/30/26/39/176302639.db2.gz WUAUNZNPPACHTA-VXGBXAGGSA-N 2 1 234.343 1.755 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH3+])[C@H](C)CO1 ZINC000035782866 176306947 /nfs/dbraw/zinc/30/69/47/176306947.db2.gz CDFIKLOZWSRSTN-VXGBXAGGSA-N 2 1 234.343 1.755 10 0 BDAEMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C)C2)S1 ZINC000044538314 176323795 /nfs/dbraw/zinc/32/37/95/176323795.db2.gz SRCNHYBCDYBNQM-ZJUUUORDSA-N 2 1 227.377 1.409 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000049665943 176324407 /nfs/dbraw/zinc/32/44/07/176324407.db2.gz LMCRSDOOHNYSID-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@H+](C2CCN(C)CC2)C1 ZINC000049665943 176324408 /nfs/dbraw/zinc/32/44/08/176324408.db2.gz LMCRSDOOHNYSID-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H](c1cccc(O)c1)[NH+]1CCC([NH3+])CC1 ZINC000020521448 177037572 /nfs/dbraw/zinc/03/75/72/177037572.db2.gz HMZWBKOAXLOJCB-SNVBAGLBSA-N 2 1 220.316 1.876 10 0 BDAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCn1ccnc1 ZINC000042427522 177189064 /nfs/dbraw/zinc/18/90/64/177189064.db2.gz NSKIDNQVPWKJAO-STQMWFEESA-N 2 1 236.363 1.332 10 0 BDAEMP C[C@H]1C[N@H+](C2CCC([NH3+])CC2)CC(C)(C)O1 ZINC000055144669 177242198 /nfs/dbraw/zinc/24/21/98/177242198.db2.gz RQIGOGRBGJYPHA-UNXYVOJBSA-N 2 1 226.364 1.756 10 0 BDAEMP C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(C)(C)C[NH3+] ZINC000051216937 177245056 /nfs/dbraw/zinc/24/50/56/177245056.db2.gz AJBBGKDSFRPANV-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]1CO[C@@H](C)C[N@H+]1CC(C)(C)C[NH3+] ZINC000051216937 177245057 /nfs/dbraw/zinc/24/50/57/177245057.db2.gz AJBBGKDSFRPANV-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]1CN(CC[NH2+]CC2CCCC2)CC[N@H+]1C ZINC000104135068 177252230 /nfs/dbraw/zinc/25/22/30/177252230.db2.gz MPNKSGXRHQOMAK-ZDUSSCGKSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CC2CCC2)C1 ZINC000049665872 177285770 /nfs/dbraw/zinc/28/57/70/177285770.db2.gz VVPVEPLPDAWCHH-TXEJJXNPSA-N 2 1 210.365 1.964 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+]([C@@H]2CCCN(C)C2)C1 ZINC000049667047 177285935 /nfs/dbraw/zinc/28/59/35/177285935.db2.gz WJSCNCGKRFIQIG-HZSPNIEDSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)CN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000049667047 177285936 /nfs/dbraw/zinc/28/59/36/177285936.db2.gz WJSCNCGKRFIQIG-HZSPNIEDSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)CN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000049667047 177285937 /nfs/dbraw/zinc/28/59/37/177285937.db2.gz WJSCNCGKRFIQIG-HZSPNIEDSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@H]1CSC(NC[C@H]2CC[N@@H+](C)C2)=[NH+]1 ZINC000037485240 177303243 /nfs/dbraw/zinc/30/32/43/177303243.db2.gz MLBNXSIDYPKPNR-DTWKUNHWSA-N 2 1 213.350 1.019 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051997779 177371224 /nfs/dbraw/zinc/37/12/24/177371224.db2.gz KOELBPBYNFOFEM-BJJPWKGXSA-N 2 1 240.391 1.608 10 0 BDAEMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000400334368 226341107 /nfs/dbraw/zinc/34/11/07/226341107.db2.gz GYHMJWYROYAQAT-MGPQQGTHSA-N 3 1 239.407 1.306 10 0 BDAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@H]1CC[NH2+]C1 ZINC000251603650 487775479 /nfs/dbraw/zinc/77/54/79/487775479.db2.gz DEMDAZZJOXXXPM-HZSPNIEDSA-N 2 1 237.391 1.155 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)[C@@H]1CCOC1 ZINC000396609602 323349999 /nfs/dbraw/zinc/34/99/99/323349999.db2.gz DLBMCVFUPSQIOY-NNYUYHANSA-N 2 1 212.337 1.142 10 0 BDAEMP C[C@H]([NH2+]Cc1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000567647774 326237886 /nfs/dbraw/zinc/23/78/86/326237886.db2.gz ZEHQDWGCMFUOIB-CMPLNLGQSA-N 2 1 208.305 1.757 10 0 BDAEMP C[C@H]([NH2+]Cc1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000567647775 326237905 /nfs/dbraw/zinc/23/79/05/326237905.db2.gz ZEHQDWGCMFUOIB-JQWIXIFHSA-N 2 1 208.305 1.757 10 0 BDAEMP CC(C)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304507668 487508563 /nfs/dbraw/zinc/50/85/63/487508563.db2.gz DBWWZNDKKOHXQP-STQMWFEESA-N 2 1 225.380 1.010 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cscn1)C2 ZINC000275481927 487559652 /nfs/dbraw/zinc/55/96/52/487559652.db2.gz IMGWUEHYVBRAES-SNVBAGLBSA-N 2 1 248.355 1.692 10 0 BDAEMP COc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1F ZINC000398323846 488085701 /nfs/dbraw/zinc/08/57/01/488085701.db2.gz DKJDVTBXXSTRSI-SNVBAGLBSA-N 2 1 238.306 1.533 10 0 BDAEMP C[C@@H](C[NH2+]C1CC[NH+](CCO)CC1)C(C)(C)C ZINC000399104733 488227974 /nfs/dbraw/zinc/22/79/74/488227974.db2.gz XDCNWGLIOQOOOC-LBPRGKRZSA-N 2 1 242.407 1.715 10 0 BDAEMP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309996825 491159671 /nfs/dbraw/zinc/15/96/71/491159671.db2.gz CIGHJFSJRBIPDA-NWDGAFQWSA-N 2 1 228.380 1.467 10 0 BDAEMP COCC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757125562 582500613 /nfs/dbraw/zinc/50/06/13/582500613.db2.gz FCECGHDMALYVJJ-IHRRRGAJSA-N 2 1 240.391 1.875 10 0 BDAEMP COCC[C@H](C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757133346 582509982 /nfs/dbraw/zinc/50/99/82/582509982.db2.gz HZBHRYYULRYSCJ-NWDGAFQWSA-N 2 1 212.337 1.239 10 0 BDAEMP COC[C@@H](C)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757134144 582510350 /nfs/dbraw/zinc/51/03/50/582510350.db2.gz KQHHRJIHZVBRSZ-NWDGAFQWSA-N 2 1 212.337 1.097 10 0 BDAEMP CC(C)[C@H]1C[NH2+][C@@]2(CCC[N@@H+](C)CC2)OC1 ZINC000757145977 582528891 /nfs/dbraw/zinc/52/88/91/582528891.db2.gz JIHZPMPECKMTLY-STQMWFEESA-N 2 1 226.364 1.690 10 0 BDAEMP Cc1ccoc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400559449 534449144 /nfs/dbraw/zinc/44/91/44/534449144.db2.gz HKCJJAFUDSFCOQ-MNOVXSKESA-N 2 1 208.305 1.676 10 0 BDAEMP CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226858207 534949127 /nfs/dbraw/zinc/94/91/27/534949127.db2.gz MPZDMQJLKSABTF-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP CC(C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174901688 535164957 /nfs/dbraw/zinc/16/49/57/535164957.db2.gz LUZHROZQPZRNBG-CQSZACIVSA-N 2 1 239.407 1.497 10 0 BDAEMP CC(C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174901688 535164952 /nfs/dbraw/zinc/16/49/52/535164952.db2.gz LUZHROZQPZRNBG-CQSZACIVSA-N 2 1 239.407 1.497 10 0 BDAEMP CC[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC000051040711 535452780 /nfs/dbraw/zinc/45/27/80/535452780.db2.gz HQYRYDXMEGPRAT-UHFFFAOYSA-N 2 1 219.332 1.968 10 0 BDAEMP C[NH+](C)CCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000252693126 535832688 /nfs/dbraw/zinc/83/26/88/535832688.db2.gz HFOPSLFBLKDIOM-ZDUSSCGKSA-N 2 1 225.380 1.108 10 0 BDAEMP COCC[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757128141 582502764 /nfs/dbraw/zinc/50/27/64/582502764.db2.gz IYJPTKYWGGZPFC-NWDGAFQWSA-N 2 1 212.337 1.239 10 0 BDAEMP COCC[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757128141 582502767 /nfs/dbraw/zinc/50/27/67/582502767.db2.gz IYJPTKYWGGZPFC-NWDGAFQWSA-N 2 1 212.337 1.239 10 0 BDAEMP CC[C@H]1CC[NH2+][C@@]2(CCC[N@@H+](C)CC2)O1 ZINC000757150835 586429150 /nfs/dbraw/zinc/42/91/50/586429150.db2.gz ZAFRWIZBASRQJD-RYUDHWBXSA-N 2 1 212.337 1.587 10 0 BDAEMP [NH3+]C[C@H]1CC[C@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757212626 586439407 /nfs/dbraw/zinc/43/94/07/586439407.db2.gz JOEYGJKCFQYAMG-NWDGAFQWSA-N 2 1 229.327 1.962 10 0 BDAEMP C[C@@H]1[NH2+][C@H](c2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000757217719 586441637 /nfs/dbraw/zinc/44/16/37/586441637.db2.gz SDEIQVAUWPLADC-BIMULSAOSA-N 3 1 219.332 1.286 10 0 BDAEMP CC(C)(C)n1cc([C@@H]2C[C@@H]([NH3+])CC[NH2+]2)cn1 ZINC000757238558 586444108 /nfs/dbraw/zinc/44/41/08/586444108.db2.gz SSGNZIXWFJEPNP-QWRGUYRKSA-N 2 1 222.336 1.390 10 0 BDAEMP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000129161736 591266883 /nfs/dbraw/zinc/26/68/83/591266883.db2.gz CWAMDSHSKZRHIR-KGLIPLIRSA-N 2 1 239.407 1.593 10 0 BDAEMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000074143548 643475509 /nfs/dbraw/zinc/47/55/09/643475509.db2.gz IRCGTRALIPHMPV-RYUDHWBXSA-N 2 1 212.337 1.369 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000685946286 644518048 /nfs/dbraw/zinc/51/80/48/644518048.db2.gz NCZNFOVODVZZLY-NEPJUHHUSA-N 2 1 208.280 1.620 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000713586812 712466222 /nfs/dbraw/zinc/46/62/22/712466222.db2.gz ONDWDWDFQDKTFU-AGIUHOORSA-N 2 1 240.391 1.718 10 0 BDAEMP CC1(C)CO[C@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000717168150 712638533 /nfs/dbraw/zinc/63/85/33/712638533.db2.gz JHIRCGRENMAIAQ-GHMZBOCLSA-N 2 1 212.337 1.143 10 0 BDAEMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000723633752 711527935 /nfs/dbraw/zinc/52/79/35/711527935.db2.gz LNVUHCZNLMXOJH-TUAOUCFPSA-N 2 1 235.331 1.461 10 0 BDAEMP [NH3+][C@@H](CC(F)F)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000310082251 711707892 /nfs/dbraw/zinc/70/78/92/711707892.db2.gz KIJGZKYHWGIFKV-QWRGUYRKSA-N 2 1 247.333 1.139 10 0 BDAEMP CC1(C)C[C@H]([NH2+][C@H]2CC[NH2+]C2)CCS1 ZINC000725662019 711759332 /nfs/dbraw/zinc/75/93/32/711759332.db2.gz RXKXRHMHBZEZSW-ZJUUUORDSA-N 2 1 214.378 1.612 10 0 BDAEMP C(C[NH2+]C1CC1)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227373199 711832286 /nfs/dbraw/zinc/83/22/86/711832286.db2.gz QODRXXYOROSICW-CQSZACIVSA-N 2 1 237.391 1.299 10 0 BDAEMP Cc1ccc(OCC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000708839366 712200709 /nfs/dbraw/zinc/20/07/09/712200709.db2.gz CWDHGJGCJISVIS-KGLIPLIRSA-N 2 1 248.370 1.900 10 0 BDAEMP Cc1ccccc1OCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708841593 712200752 /nfs/dbraw/zinc/20/07/52/712200752.db2.gz UFHSLZLURUIKSD-KGLIPLIRSA-N 2 1 248.370 1.900 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000708859008 712201175 /nfs/dbraw/zinc/20/11/75/712201175.db2.gz SVTAQJMCUAKMBO-GWCFXTLKSA-N 2 1 244.342 1.590 10 0 BDAEMP [NH3+][C@H]1C[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000715125017 712510958 /nfs/dbraw/zinc/51/09/58/712510958.db2.gz GTQBFJLLOGDCMW-OCAPTIKFSA-N 2 1 217.276 1.107 10 0 BDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718001240 712736023 /nfs/dbraw/zinc/73/60/23/712736023.db2.gz YBYDPZSACOMJPQ-MQYQWHSLSA-N 2 1 237.391 1.282 10 0 BDAEMP CC(C)C1(N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000685960701 538907852 /nfs/dbraw/zinc/90/78/52/538907852.db2.gz AACBFKOXHVZEGI-UHFFFAOYSA-N 2 1 225.380 1.012 10 0 BDAEMP Cc1cc(F)c([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1F ZINC000685965389 538911862 /nfs/dbraw/zinc/91/18/62/538911862.db2.gz CEXXPLQZQWJIBG-BXKDBHETSA-N 2 1 226.270 1.677 10 0 BDAEMP COc1ccc(C)cc1[C@@H]1C[NH2+]C[C@]1(C)[NH3+] ZINC000685965453 538912175 /nfs/dbraw/zinc/91/21/75/538912175.db2.gz FBNBZMICKOGSKM-AAEUAGOBSA-N 2 1 220.316 1.408 10 0 BDAEMP Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1F ZINC000685965616 538912204 /nfs/dbraw/zinc/91/22/04/538912204.db2.gz LDSDHCCYXMJDEA-ZYHUDNBSSA-N 2 1 208.280 1.538 10 0 BDAEMP CC1(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000381778232 539007133 /nfs/dbraw/zinc/00/71/33/539007133.db2.gz XKDQRONGYFBLJM-NSHDSACASA-N 2 1 219.332 1.835 10 0 BDAEMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000381263849 538997115 /nfs/dbraw/zinc/99/71/15/538997115.db2.gz SUKACZFRSNHCJZ-UTUOFQBUSA-N 2 1 219.332 1.976 10 0 BDAEMP [NH3+][C@H]1CCC[C@@H]1[N@H+]1CCCSCC1 ZINC000042444480 361999835 /nfs/dbraw/zinc/99/98/35/361999835.db2.gz ZNISZUCQEKNHOK-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP Cc1c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cnn1C ZINC000234359960 342921734 /nfs/dbraw/zinc/92/17/34/342921734.db2.gz VTSOFBDFTLPGHR-LBPRGKRZSA-N 2 1 236.363 1.160 10 0 BDAEMP Cc1c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cnn1C ZINC000234359960 342921736 /nfs/dbraw/zinc/92/17/36/342921736.db2.gz VTSOFBDFTLPGHR-LBPRGKRZSA-N 2 1 236.363 1.160 10 0 BDAEMP COC(C)(C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000159220041 349754902 /nfs/dbraw/zinc/75/49/02/349754902.db2.gz DSDXCQGWOAKMAM-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP Cc1[nH+]c(N)ccc1N1CC[NH+](C(C)C)CC1 ZINC000139633860 343066310 /nfs/dbraw/zinc/06/63/10/343066310.db2.gz UETIKTOVFGOGNT-UHFFFAOYSA-N 2 1 234.347 1.503 10 0 BDAEMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000575564120 343079906 /nfs/dbraw/zinc/07/99/06/343079906.db2.gz AESYNSJGQAAOOB-KGLIPLIRSA-N 2 1 216.328 1.728 10 0 BDAEMP CC(C)(C)[N@H+](Cc1ccccc1)C[C@H](O)C[NH3+] ZINC000033506768 343256246 /nfs/dbraw/zinc/25/62/46/343256246.db2.gz QBYBTRGJFDHZKL-CYBMUJFWSA-N 2 1 236.359 1.607 10 0 BDAEMP Cc1[nH+]ccn1CCCn1cc(C(C)(C)[NH3+])nn1 ZINC000641149128 362239125 /nfs/dbraw/zinc/23/91/25/362239125.db2.gz BSRDLEJNXCPXQI-UHFFFAOYSA-N 2 1 248.334 1.067 10 0 BDAEMP CC(C)(C)[N@H+]1CCCOC[C@H]1CC[NH3+] ZINC000616646041 343530550 /nfs/dbraw/zinc/53/05/50/343530550.db2.gz SDXMLTNYMHHKSA-SNVBAGLBSA-N 2 1 200.326 1.225 10 0 BDAEMP CCOC[C@@H]1C[N@H+](CC[NH3+])CC12CCC2 ZINC000409427872 343802267 /nfs/dbraw/zinc/80/22/67/343802267.db2.gz FQYLTCLHHJVNPR-NSHDSACASA-N 2 1 212.337 1.084 10 0 BDAEMP CCOC[C@@H]1C[N@@H+](CC[NH3+])CC12CCC2 ZINC000409427872 343802268 /nfs/dbraw/zinc/80/22/68/343802268.db2.gz FQYLTCLHHJVNPR-NSHDSACASA-N 2 1 212.337 1.084 10 0 BDAEMP C[NH+](C)CCCNc1cc(N)nc(C2CC2)[nH+]1 ZINC000126918346 343787235 /nfs/dbraw/zinc/78/72/35/343787235.db2.gz XKZSTOFUQWRSTA-UHFFFAOYSA-N 2 1 235.335 1.300 10 0 BDAEMP C1CCC2(CC[NH+](C3CC[NH2+]CC3)CC2)OC1 ZINC000409423800 343816479 /nfs/dbraw/zinc/81/64/79/343816479.db2.gz ANOOTUULAHORNU-UHFFFAOYSA-N 2 1 238.375 1.774 10 0 BDAEMP CC(C)(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000409424868 343817561 /nfs/dbraw/zinc/81/75/61/343817561.db2.gz ZFOOXYIODGZOBT-JTQLQIEISA-N 2 1 212.337 1.272 10 0 BDAEMP CC(C)(C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000409424868 343817564 /nfs/dbraw/zinc/81/75/64/343817564.db2.gz ZFOOXYIODGZOBT-JTQLQIEISA-N 2 1 212.337 1.272 10 0 BDAEMP CCOC[C@H]1C[N@H+](C2CC[NH2+]CC2)CC1(C)C ZINC000409436150 343837351 /nfs/dbraw/zinc/83/73/51/343837351.db2.gz YJDJQNXOGWAWGS-GFCCVEGCSA-N 2 1 240.391 1.733 10 0 BDAEMP C[C@H](NCC[N@@H+]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000570507931 323061604 /nfs/dbraw/zinc/06/16/04/323061604.db2.gz UUHORMSPDROIBN-KBPBESRZSA-N 2 1 237.391 1.226 10 0 BDAEMP CCc1cc(N2C[C@@H]([NH3+])C[C@H]2C)nc(C)[nH+]1 ZINC000384955219 344278114 /nfs/dbraw/zinc/27/81/14/344278114.db2.gz CGEYQZFJFQQWRC-SCZZXKLOSA-N 2 1 220.320 1.273 10 0 BDAEMP CC(C)(C)[C@@](F)(C[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000158375893 344630198 /nfs/dbraw/zinc/63/01/98/344630198.db2.gz OAHNZWQJNVJYKT-GXSJLCMTSA-N 2 1 202.317 1.842 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CC(C)(C)C1 ZINC000080200304 345118371 /nfs/dbraw/zinc/11/83/71/345118371.db2.gz GOBPLNCMYZWZTJ-AGIUHOORSA-N 2 1 242.407 1.713 10 0 BDAEMP CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH3+] ZINC000227728851 345354921 /nfs/dbraw/zinc/35/49/21/345354921.db2.gz RHRZYVGYHZTHSN-UWVGGRQHSA-N 2 1 245.367 1.227 10 0 BDAEMP Cc1cccc(C[NH+]2CCC([NH3+])CC2)n1 ZINC000036373008 179074784 /nfs/dbraw/zinc/07/47/84/179074784.db2.gz CPRWTWWKEVYCTA-UHFFFAOYSA-N 2 1 205.305 1.313 10 0 BDAEMP C[C@@H]([NH3+])[C@@H](C)C[N@H+]1CCCSCC1 ZINC000165074907 346638248 /nfs/dbraw/zinc/63/82/48/346638248.db2.gz SXFQBZGVQPHRCJ-VHSXEESVSA-N 2 1 202.367 1.409 10 0 BDAEMP CC(C)[C@H](C)[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169128417 346753868 /nfs/dbraw/zinc/75/38/68/346753868.db2.gz YIKCLCIPUYALHV-VWYCJHECSA-N 2 1 200.326 1.079 10 0 BDAEMP CC(C)Nc1cc[nH+]nc1N(C)C1CC[NH2+]CC1 ZINC000038977734 347174211 /nfs/dbraw/zinc/17/42/11/347174211.db2.gz FGRUQFMVLRMMLG-UHFFFAOYSA-N 2 1 249.362 1.485 10 0 BDAEMP C[N@H+]([C@H]1CCSC1)[C@H]1CCCC[NH2+]C1 ZINC000250350203 362800790 /nfs/dbraw/zinc/80/07/90/362800790.db2.gz AHQMHUGLLHHXGT-QWRGUYRKSA-N 2 1 214.378 1.566 10 0 BDAEMP C[N@@H+]([C@H]1CCSC1)[C@H]1CCCC[NH2+]C1 ZINC000250350203 362800794 /nfs/dbraw/zinc/80/07/94/362800794.db2.gz AHQMHUGLLHHXGT-QWRGUYRKSA-N 2 1 214.378 1.566 10 0 BDAEMP C[N@@H+]([C@@H]1CCSC1)[C@H]1CCC[C@H]1[NH3+] ZINC000250430492 362803885 /nfs/dbraw/zinc/80/38/85/362803885.db2.gz QZJNARKNPAPNKJ-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP COc1ccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000082364988 537993054 /nfs/dbraw/zinc/99/30/54/537993054.db2.gz LSCGLSNJHNUZCK-WCQYABFASA-N 2 1 220.316 1.789 10 0 BDAEMP COc1ccc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1 ZINC000082364988 537993059 /nfs/dbraw/zinc/99/30/59/537993059.db2.gz LSCGLSNJHNUZCK-WCQYABFASA-N 2 1 220.316 1.789 10 0 BDAEMP Nc1c2ccccc2[nH+]c2c1C[C@@H]([NH3+])CC2 ZINC000669381619 537995538 /nfs/dbraw/zinc/99/55/38/537995538.db2.gz PNQDEZUWSJPLIC-QMMMGPOBSA-N 2 1 213.284 1.463 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]CC[C@@H]1c1ccc2c(c1)CCN2 ZINC000669381420 537996017 /nfs/dbraw/zinc/99/60/17/537996017.db2.gz JEVUKQHMHZRDPJ-VXGBXAGGSA-N 2 1 217.316 1.059 10 0 BDAEMP CC[C@@H]1C[N@H+]([C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000251753009 362906593 /nfs/dbraw/zinc/90/65/93/362906593.db2.gz LLXDNUWGLUNJEG-VWYCJHECSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1CCC[N@@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000216244792 349988583 /nfs/dbraw/zinc/98/85/83/349988583.db2.gz ZTBWPZHMBGLQJR-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CCC[N@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000216244792 349988589 /nfs/dbraw/zinc/98/85/89/349988589.db2.gz ZTBWPZHMBGLQJR-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[NH2+]C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000420115947 192162527 /nfs/dbraw/zinc/16/25/27/192162527.db2.gz FVDKDMAKDWTFIN-JTQLQIEISA-N 2 1 245.330 1.394 10 0 BDAEMP Cc1[nH+]ccn1-c1ncc(C[NH3+])cc1Cl ZINC000051490879 180230117 /nfs/dbraw/zinc/23/01/17/180230117.db2.gz JXIHATFJAKWRJQ-UHFFFAOYSA-N 2 1 222.679 1.688 10 0 BDAEMP Cc1[nH+]ccn1CCN(C)c1cc[nH+]cc1N ZINC000049330806 180251393 /nfs/dbraw/zinc/25/13/93/180251393.db2.gz DNPHNPCGZCQQFM-UHFFFAOYSA-N 2 1 231.303 1.305 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1O ZINC000052015188 180261727 /nfs/dbraw/zinc/26/17/27/180261727.db2.gz FJUMRSWHHPFQIJ-NWDGAFQWSA-N 2 1 223.320 1.085 10 0 BDAEMP Cc1[nH+]ccn1CCOc1ccccc1CC[NH3+] ZINC000049331342 180262374 /nfs/dbraw/zinc/26/23/74/180262374.db2.gz BLBUIVRORAXWOB-UHFFFAOYSA-N 2 1 245.326 1.772 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccsc1 ZINC000043124114 180271959 /nfs/dbraw/zinc/27/19/59/180271959.db2.gz VCYSBJBNBIEEEZ-JTQLQIEISA-N 2 1 207.302 1.801 10 0 BDAEMP Cc1[nH+]cn([C@@H](c2ccncc2)[C@H](C)[NH3+])c1C ZINC000051925705 180288907 /nfs/dbraw/zinc/28/89/07/180288907.db2.gz QZQPXOQPNRXQNF-TVQRCGJNSA-N 2 1 230.315 1.832 10 0 BDAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2ccncc2)c1C ZINC000051925701 180288934 /nfs/dbraw/zinc/28/89/34/180288934.db2.gz LTNHTNOMKRYQCE-LBPRGKRZSA-N 2 1 216.288 1.443 10 0 BDAEMP CC(C)C[C@@H](CN(C)C)[NH2+]C1CC[NH2+]CC1 ZINC000038041432 350302539 /nfs/dbraw/zinc/30/25/39/350302539.db2.gz VSXZFTHUQXHFMT-ZDUSSCGKSA-N 2 1 227.396 1.304 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCS2)CCC[NH2+]1 ZINC000251895506 362980121 /nfs/dbraw/zinc/98/01/21/362980121.db2.gz VXWQIFXPEQVHRI-GHMZBOCLSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000306701722 350851054 /nfs/dbraw/zinc/85/10/54/350851054.db2.gz HDJVVGLCQZERFX-NXEZZACHSA-N 2 1 216.394 1.940 10 0 BDAEMP C[N@H+](Cc1cc(C[NH3+])no1)Cc1ccccc1 ZINC000052417482 350992215 /nfs/dbraw/zinc/99/22/15/350992215.db2.gz CXPKNONNSBKNAZ-UHFFFAOYSA-N 2 1 231.299 1.765 10 0 BDAEMP C[N@@H+](Cc1cc(C[NH3+])no1)Cc1ccccc1 ZINC000052417482 350992218 /nfs/dbraw/zinc/99/22/18/350992218.db2.gz CXPKNONNSBKNAZ-UHFFFAOYSA-N 2 1 231.299 1.765 10 0 BDAEMP CC[N@H+]1CCO[C@H](c2cccnc2N)CC1 ZINC000616686952 351257670 /nfs/dbraw/zinc/25/76/70/351257670.db2.gz MTHIDYBIJOJTLB-NSHDSACASA-N 2 1 221.304 1.447 10 0 BDAEMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616663006 351214917 /nfs/dbraw/zinc/21/49/17/351214917.db2.gz NXATYESHYGASAD-CYBMUJFWSA-N 2 1 220.316 1.236 10 0 BDAEMP C[C@H]1CN(C(=[NH2+])NCc2ccccc2)CC[N@@H+]1C ZINC000306951542 351379797 /nfs/dbraw/zinc/37/97/97/351379797.db2.gz GPSYFEPSXTUBNJ-LBPRGKRZSA-N 2 1 246.358 1.347 10 0 BDAEMP C[C@H]1CN(C(=[NH2+])NCc2ccccc2)CC[N@H+]1C ZINC000306951542 351379802 /nfs/dbraw/zinc/37/98/02/351379802.db2.gz GPSYFEPSXTUBNJ-LBPRGKRZSA-N 2 1 246.358 1.347 10 0 BDAEMP C[C@@H]([NH3+])[C@@H](C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000306972403 351395090 /nfs/dbraw/zinc/39/50/90/351395090.db2.gz VTZCRZLTVOZISO-ZYUZMQFOSA-N 2 1 202.367 1.548 10 0 BDAEMP C[C@@H]1C[N@H+](C2CSC2)C[C@]1(C)C[NH3+] ZINC000307030468 351431922 /nfs/dbraw/zinc/43/19/22/351431922.db2.gz PNHLAICTZZPUTE-SCZZXKLOSA-N 2 1 200.351 1.019 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1OC ZINC000725268188 538100361 /nfs/dbraw/zinc/10/03/61/538100361.db2.gz KJIZLLJQEZXZSN-GWCFXTLKSA-N 2 1 236.315 1.108 10 0 BDAEMP CC1(C)SC[C@@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000307317525 351991867 /nfs/dbraw/zinc/99/18/67/351991867.db2.gz OQNIXEQNFXSGAI-VIFPVBQESA-N 2 1 200.351 1.176 10 0 BDAEMP CC1(C)SC[C@@H]1[N@H+]1CCC[NH2+]CC1 ZINC000307317525 351991869 /nfs/dbraw/zinc/99/18/69/351991869.db2.gz OQNIXEQNFXSGAI-VIFPVBQESA-N 2 1 200.351 1.176 10 0 BDAEMP [NH3+][C@H]1CC12CCC([N@H+]1CCC[C@H](CO)C1)CC2 ZINC000725270443 538102101 /nfs/dbraw/zinc/10/21/01/538102101.db2.gz NAFFQNMCSRCWNF-AHPWVWPOSA-N 2 1 238.375 1.351 10 0 BDAEMP [NH3+][C@H]1C[NH2+]CC[C@H]1c1c(F)cccc1Cl ZINC000725270050 538102330 /nfs/dbraw/zinc/10/23/30/538102330.db2.gz DMHRTMBADXCUHQ-XCBNKYQSSA-N 2 1 228.698 1.883 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@H]2CC[C@H]([NH3+])C2)C1 ZINC000307508433 352627369 /nfs/dbraw/zinc/62/73/69/352627369.db2.gz NJCRPUNLTSXDCE-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[C@H](NC(N)=[NH2+])C[N@H+]1Cc1ccccc1 ZINC000307693607 352964837 /nfs/dbraw/zinc/96/48/37/352964837.db2.gz XHWQSATTWAFOOF-JQWIXIFHSA-N 2 1 232.331 1.132 10 0 BDAEMP [NH3+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000042432738 188293284 /nfs/dbraw/zinc/29/32/84/188293284.db2.gz WNQZZIGYKMXIFT-ZDUSSCGKSA-N 2 1 220.316 1.102 10 0 BDAEMP CN1CCC[C@@H]([N@@H+](C)Cc2cccc(C[NH3+])c2)C1 ZINC000053205827 188300289 /nfs/dbraw/zinc/30/02/89/188300289.db2.gz ZCEROLGZVMFKSK-OAHLLOKOSA-N 2 1 247.386 1.671 10 0 BDAEMP CN(Cc1cccc(C[NH3+])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000053205827 188300291 /nfs/dbraw/zinc/30/02/91/188300291.db2.gz ZCEROLGZVMFKSK-OAHLLOKOSA-N 2 1 247.386 1.671 10 0 BDAEMP CN(Cc1cccc(C[NH3+])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053205827 188300292 /nfs/dbraw/zinc/30/02/92/188300292.db2.gz ZCEROLGZVMFKSK-OAHLLOKOSA-N 2 1 247.386 1.671 10 0 BDAEMP CN(Cc1ccc(C[NH3+])o1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053249420 188300436 /nfs/dbraw/zinc/30/04/36/188300436.db2.gz LSLVSDSTZKTAII-LLVKDONJSA-N 2 1 237.347 1.264 10 0 BDAEMP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CC[N@@H+]1C ZINC000309145447 188343497 /nfs/dbraw/zinc/34/34/97/188343497.db2.gz VCFSNICJBHDXQK-BDAKNGLRSA-N 2 1 218.291 1.856 10 0 BDAEMP CC(C)C[C@@H](C[NH3+])[N@@H+]1CCCO[C@@H](C)C1 ZINC000061916107 188360286 /nfs/dbraw/zinc/36/02/86/188360286.db2.gz GHFAOCHTHSKLGR-RYUDHWBXSA-N 2 1 214.353 1.471 10 0 BDAEMP CC(C)C[C@@H](C[NH3+])[N@H+]1CCCO[C@@H](C)C1 ZINC000061916107 188360287 /nfs/dbraw/zinc/36/02/87/188360287.db2.gz GHFAOCHTHSKLGR-RYUDHWBXSA-N 2 1 214.353 1.471 10 0 BDAEMP Cc1n[nH]cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000335863825 355627695 /nfs/dbraw/zinc/62/76/95/355627695.db2.gz QRIMKRSURPGUJO-LBPRGKRZSA-N 2 1 222.336 1.292 10 0 BDAEMP Cc1n[nH]cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000335863825 355627699 /nfs/dbraw/zinc/62/76/99/355627699.db2.gz QRIMKRSURPGUJO-LBPRGKRZSA-N 2 1 222.336 1.292 10 0 BDAEMP C[C@@]1(CNc2[nH+]cnc3[nH]ccc32)CCC[NH2+]C1 ZINC000420232442 192181130 /nfs/dbraw/zinc/18/11/30/192181130.db2.gz UKPFYZHUZZADFC-CYBMUJFWSA-N 2 1 245.330 1.181 10 0 BDAEMP [NH3+]C[C@H]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000420269958 192194951 /nfs/dbraw/zinc/19/49/51/192194951.db2.gz JDMMGBYLEPVWLH-IUCAKERBSA-N 2 1 231.303 1.497 10 0 BDAEMP C[C@@H]1CSCC[N@@H+]1C[C@@](C)([NH3+])C1CC1 ZINC000226403118 356478172 /nfs/dbraw/zinc/47/81/72/356478172.db2.gz MKEYHTRYGHWONL-MWLCHTKSSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1C[C@@](C)([NH3+])C1CC1 ZINC000226403118 356478174 /nfs/dbraw/zinc/47/81/74/356478174.db2.gz MKEYHTRYGHWONL-MWLCHTKSSA-N 2 1 214.378 1.551 10 0 BDAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000083288117 538466365 /nfs/dbraw/zinc/46/63/65/538466365.db2.gz OLZBJSJPWLDTHY-RYUDHWBXSA-N 2 1 208.280 1.920 10 0 BDAEMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000083288117 538466366 /nfs/dbraw/zinc/46/63/66/538466366.db2.gz OLZBJSJPWLDTHY-RYUDHWBXSA-N 2 1 208.280 1.920 10 0 BDAEMP C[C@@H]1CCC[N@@H+](Cc2c(C[NH3+])cnn2C)[C@@H]1C ZINC000675056005 538477324 /nfs/dbraw/zinc/47/73/24/538477324.db2.gz HTNHSNVMARDLHZ-GHMZBOCLSA-N 2 1 236.363 1.499 10 0 BDAEMP Cc1cccc(NC[C@@H]2C[NH2+]CCCO2)[nH+]1 ZINC000389898113 357062982 /nfs/dbraw/zinc/06/29/82/357062982.db2.gz NEAGOBAPDOAGBM-NSHDSACASA-N 2 1 221.304 1.180 10 0 BDAEMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C[NH3+])CS1 ZINC000168799509 357236464 /nfs/dbraw/zinc/23/64/64/357236464.db2.gz CJWDONXLTOOBBX-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C[NH3+])CS1 ZINC000168799509 357236468 /nfs/dbraw/zinc/23/64/68/357236468.db2.gz CJWDONXLTOOBBX-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CCCSC2)C[C@@H]1[NH3+] ZINC000300048887 357177576 /nfs/dbraw/zinc/17/75/76/357177576.db2.gz NMHZBGBOMZIEPC-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(F)c(C)c1 ZINC000685945862 538886734 /nfs/dbraw/zinc/88/67/34/538886734.db2.gz CSHWPQUDKURUSE-DGCLKSJQSA-N 2 1 222.307 1.928 10 0 BDAEMP CCOc1cccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685945829 538887445 /nfs/dbraw/zinc/88/74/45/538887445.db2.gz CBBCLEOSLJQGFU-QWHCGFSZSA-N 2 1 220.316 1.490 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCSC[C@@H]1C ZINC000685951751 538895407 /nfs/dbraw/zinc/89/54/07/538895407.db2.gz XHXZOFMKODQYDJ-WHOHXGKFSA-N 2 1 228.405 1.668 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2CN)CS1 ZINC000252682553 366431051 /nfs/dbraw/zinc/43/10/51/366431051.db2.gz CJWDONXLTOOBBX-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C[NH3+])CS1 ZINC000252682553 366431057 /nfs/dbraw/zinc/43/10/57/366431057.db2.gz CJWDONXLTOOBBX-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000230946197 358412538 /nfs/dbraw/zinc/41/25/38/358412538.db2.gz HNZZRMZYWVCUBL-VXGBXAGGSA-N 2 1 214.353 1.173 10 0 BDAEMP C[C@@H]([NH3+])CC[N@H+]1CCSC(C)(C)CC1 ZINC000231052045 358578793 /nfs/dbraw/zinc/57/87/93/358578793.db2.gz KGPUPMGVMXMBEY-SNVBAGLBSA-N 2 1 216.394 1.941 10 0 BDAEMP C[C@@H](C[N@@H+]1CCC(F)(F)C1)C1C[NH2+]C1 ZINC000306240690 359418517 /nfs/dbraw/zinc/41/85/17/359418517.db2.gz QZCORIFGLNYDLT-QMMMGPOBSA-N 2 1 204.264 1.183 10 0 BDAEMP C[C@@H](C[N@H+]1CCC(F)(F)C1)C1C[NH2+]C1 ZINC000306240690 359418523 /nfs/dbraw/zinc/41/85/23/359418523.db2.gz QZCORIFGLNYDLT-QMMMGPOBSA-N 2 1 204.264 1.183 10 0 BDAEMP C[C@H](C[N@@H+]1CCC(F)(F)C1)C1C[NH2+]C1 ZINC000306240689 359419082 /nfs/dbraw/zinc/41/90/82/359419082.db2.gz QZCORIFGLNYDLT-MRVPVSSYSA-N 2 1 204.264 1.183 10 0 BDAEMP C[C@H](C[N@H+]1CCC(F)(F)C1)C1C[NH2+]C1 ZINC000306240689 359419087 /nfs/dbraw/zinc/41/90/87/359419087.db2.gz QZCORIFGLNYDLT-MRVPVSSYSA-N 2 1 204.264 1.183 10 0 BDAEMP CN(CCC[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074145 360295820 /nfs/dbraw/zinc/29/58/20/360295820.db2.gz GXADQRJQUUBXNO-CYBMUJFWSA-N 2 1 233.359 1.464 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1cc(F)c(F)cc1F ZINC000306583233 360481991 /nfs/dbraw/zinc/48/19/91/360481991.db2.gz PNZOTBRRORYSCV-VIFPVBQESA-N 2 1 204.195 1.453 10 0 BDAEMP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000306584516 360482145 /nfs/dbraw/zinc/48/21/45/360482145.db2.gz QCNMWDALQYRLHX-OPRDCNLKSA-N 2 1 200.351 1.080 10 0 BDAEMP C[C@@H](CC[NH2+]CCO)[N@@H+](C)Cc1ccccc1 ZINC000306584031 360483421 /nfs/dbraw/zinc/48/34/21/360483421.db2.gz FXNIQOJUKLXVBW-ZDUSSCGKSA-N 2 1 236.359 1.479 10 0 BDAEMP O[C@]1([C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306599394 360520993 /nfs/dbraw/zinc/52/09/93/360520993.db2.gz YMVQPRCIHLYPPQ-LSDHHAIUSA-N 2 1 246.354 1.375 10 0 BDAEMP CSC1CC[NH+]([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000300838964 360532583 /nfs/dbraw/zinc/53/25/83/360532583.db2.gz LUVICCCHZDZAKD-QWRGUYRKSA-N 2 1 214.378 1.694 10 0 BDAEMP CC(C)[C@H]1C[C@@](C[NH3+])([NH+](C)C)CCO1 ZINC000069892055 360950559 /nfs/dbraw/zinc/95/05/59/360950559.db2.gz HIYTUJOLAURXMP-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP CC[C@@]1(C)C[C@](C[NH3+])([NH+](C)C)CCO1 ZINC000069892052 360950578 /nfs/dbraw/zinc/95/05/78/360950578.db2.gz XUDITFYYXMTPIK-WDEREUQCSA-N 2 1 200.326 1.225 10 0 BDAEMP FC1(F)CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000306621051 361230927 /nfs/dbraw/zinc/23/09/27/361230927.db2.gz YUBIZBSUHCJMJC-RKDXNWHRSA-N 2 1 204.264 1.516 10 0 BDAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000579227550 366738294 /nfs/dbraw/zinc/73/82/94/366738294.db2.gz OXTRFMRFUNNBCV-QWHCGFSZSA-N 2 1 242.407 1.715 10 0 BDAEMP [NH3+]C1(C[N@@H+]2CCCOCC2)CCCCC1 ZINC000061934904 181331435 /nfs/dbraw/zinc/33/14/35/181331435.db2.gz KEYGNTGIIPJOEY-UHFFFAOYSA-N 2 1 212.337 1.370 10 0 BDAEMP [NH3+]C1(C[N@H+]2CCCOCC2)CCCCC1 ZINC000061934904 181331437 /nfs/dbraw/zinc/33/14/37/181331437.db2.gz KEYGNTGIIPJOEY-UHFFFAOYSA-N 2 1 212.337 1.370 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCC[C@H](CO)C2)CCCCC1 ZINC000051206154 181358891 /nfs/dbraw/zinc/35/88/91/181358891.db2.gz UREPYCKCUYUGBG-ZDUSSCGKSA-N 2 1 240.391 1.600 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H](O)C2)CCCCC1 ZINC000051257059 181359470 /nfs/dbraw/zinc/35/94/70/181359470.db2.gz DRKDDOSNLIKJFE-GFCCVEGCSA-N 2 1 226.364 1.352 10 0 BDAEMP Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)nc(C)[nH+]1 ZINC000630565863 364263702 /nfs/dbraw/zinc/26/37/02/364263702.db2.gz AMAYVGVZRDKJBU-LDYMZIIASA-N 2 1 220.320 1.124 10 0 BDAEMP CCc1nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)cc(C)[nH+]1 ZINC000630535252 364229662 /nfs/dbraw/zinc/22/96/62/364229662.db2.gz SLXMVFPVYIMEJG-MWLCHTKSSA-N 2 1 234.347 1.322 10 0 BDAEMP [NH3+]CC1CC[NH+](CC(=O)c2ccco2)CC1 ZINC000095072680 181365517 /nfs/dbraw/zinc/36/55/17/181365517.db2.gz DDAWFKRGOXXXSS-UHFFFAOYSA-N 2 1 222.288 1.133 10 0 BDAEMP [NH3+]CC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC000038343313 181365616 /nfs/dbraw/zinc/36/56/16/181365616.db2.gz ODTCKUVAXHEKBJ-YHWZYXNKSA-N 2 1 208.349 1.988 10 0 BDAEMP Cc1ccc(C2=C[C@H]([NH3+])CNC2)cc1F ZINC000675078128 541390548 /nfs/dbraw/zinc/39/05/48/541390548.db2.gz MSJAZTCWMCFQPE-NSHDSACASA-N 2 1 206.264 1.448 10 0 BDAEMP NCC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747338 181397382 /nfs/dbraw/zinc/39/73/82/181397382.db2.gz ISUKJILLTWUFQC-LBPRGKRZSA-N 2 1 206.289 1.318 10 0 BDAEMP [NH3+]CC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747338 181397385 /nfs/dbraw/zinc/39/73/85/181397385.db2.gz ISUKJILLTWUFQC-LBPRGKRZSA-N 2 1 206.289 1.318 10 0 BDAEMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576209062 365522145 /nfs/dbraw/zinc/52/21/45/365522145.db2.gz OJKYJZPVXVLEMT-FRRDWIJNSA-N 3 1 227.396 1.304 10 0 BDAEMP CCc1nc(N[C@H]2CC[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000382518485 367532339 /nfs/dbraw/zinc/53/23/39/367532339.db2.gz SGWJWOORXNHFQF-QWRGUYRKSA-N 2 1 234.347 1.309 10 0 BDAEMP CCc1nc(N[C@@H]2CC[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000382518486 367532404 /nfs/dbraw/zinc/53/24/04/367532404.db2.gz SGWJWOORXNHFQF-WDEREUQCSA-N 2 1 234.347 1.309 10 0 BDAEMP [NH3+]CC[C@H](Nc1cc[nH+]cc1Cl)C(F)F ZINC000383423663 367620964 /nfs/dbraw/zinc/62/09/64/367620964.db2.gz BEFPFUXNKUURRV-QMMMGPOBSA-N 2 1 235.665 1.551 10 0 BDAEMP CO[C@H](C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000631836832 369084550 /nfs/dbraw/zinc/08/45/50/369084550.db2.gz HQWKNAMIYXMLGD-NWANDNLSSA-N 2 1 248.370 1.901 10 0 BDAEMP CC(C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567642383 326237285 /nfs/dbraw/zinc/23/72/85/326237285.db2.gz ROZRBJGAZYUOED-QWHCGFSZSA-N 2 1 227.396 1.304 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000631840759 369311751 /nfs/dbraw/zinc/31/17/51/369311751.db2.gz VGJMSUJULZLNQX-PWSUYJOCSA-N 2 1 205.305 1.108 10 0 BDAEMP C[C@H]1SCC[N@@H+](CC2C[NH2+]C2)[C@H]1C ZINC000132513755 371847653 /nfs/dbraw/zinc/84/76/53/371847653.db2.gz RTYGXWTZAGWPCR-DTWKUNHWSA-N 2 1 200.351 1.032 10 0 BDAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]12C[NH+]=C(N)O2 ZINC000306508121 372029253 /nfs/dbraw/zinc/02/92/53/372029253.db2.gz ACRDZAKJTRIDQT-SMDDNHRTSA-N 2 1 245.326 1.365 10 0 BDAEMP Cc1nocc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836799 372625117 /nfs/dbraw/zinc/62/51/17/372625117.db2.gz HBRXHNLQVOBOFE-WCBMZHEXSA-N 2 1 209.293 1.010 10 0 BDAEMP Cc1nocc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836799 372625122 /nfs/dbraw/zinc/62/51/22/372625122.db2.gz HBRXHNLQVOBOFE-WCBMZHEXSA-N 2 1 209.293 1.010 10 0 BDAEMP Cc1cnccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837459 372626823 /nfs/dbraw/zinc/62/68/23/372626823.db2.gz SLRPOPNZUSZDBJ-YPMHNXCESA-N 2 1 219.332 1.417 10 0 BDAEMP COc1ccc(CC[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842784 372641440 /nfs/dbraw/zinc/64/14/40/372641440.db2.gz FSDDHOORHKTCAZ-JSGCOSHPSA-N 2 1 248.370 1.764 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631842731 372641598 /nfs/dbraw/zinc/64/15/98/372641598.db2.gz DZZNPDQTGNRQCP-JQWIXIFHSA-N 2 1 222.307 1.852 10 0 BDAEMP CC(C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151268455 206063917 /nfs/dbraw/zinc/06/39/17/206063917.db2.gz FJKHTWHJHKEPAO-CHWSQXEVSA-N 2 1 228.380 1.467 10 0 BDAEMP CCOCCC[N@H+]1CC[NH2+]CC[C@@H]1C ZINC000071508079 170373498 /nfs/dbraw/zinc/37/34/98/170373498.db2.gz MQDIJLYWBLEBQJ-NSHDSACASA-N 2 1 200.326 1.097 10 0 BDAEMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000049557922 169186906 /nfs/dbraw/zinc/18/69/06/169186906.db2.gz UJUBVMYUKWOIIE-LBPRGKRZSA-N 3 1 225.380 1.141 10 0 BDAEMP CCC[NH+]1CCC([N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000049557922 169186907 /nfs/dbraw/zinc/18/69/07/169186907.db2.gz UJUBVMYUKWOIIE-LBPRGKRZSA-N 3 1 225.380 1.141 10 0 BDAEMP CCCN1CCC([N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000049557922 169186909 /nfs/dbraw/zinc/18/69/09/169186909.db2.gz UJUBVMYUKWOIIE-LBPRGKRZSA-N 2 1 225.380 1.141 10 0 BDAEMP CCCN1CCC([N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000049557922 169186912 /nfs/dbraw/zinc/18/69/12/169186912.db2.gz UJUBVMYUKWOIIE-LBPRGKRZSA-N 2 1 225.380 1.141 10 0 BDAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](CC)CO)C1 ZINC000037221575 169198346 /nfs/dbraw/zinc/19/83/46/169198346.db2.gz XPKNHYOJXLTQIX-RDBSUJKOSA-N 2 1 242.407 1.857 10 0 BDAEMP CCC[NH+]1CCN(C(=[NH2+])NC2CCCC2)CC1 ZINC000052045128 169201509 /nfs/dbraw/zinc/20/15/09/169201509.db2.gz GLYNFPGMLLRSQL-UHFFFAOYSA-N 2 1 238.379 1.481 10 0 BDAEMP CCCN1CC[NH+]([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157875 169203619 /nfs/dbraw/zinc/20/36/19/169203619.db2.gz HLDHSCJGRDNIPD-CHWSQXEVSA-N 2 1 225.380 1.141 10 0 BDAEMP CCC[NH2+]CCNCCC[N@H+]1CCCC[C@H]1C ZINC000049474907 169259419 /nfs/dbraw/zinc/25/94/19/169259419.db2.gz JHPFDLMBUFLDMX-CQSZACIVSA-N 2 1 241.423 1.840 10 0 BDAEMP CCC[NH2+]C[C@@H](C)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191998 169261407 /nfs/dbraw/zinc/26/14/07/169261407.db2.gz LTDGBCBASPJCNJ-ZIAGYGMSSA-N 2 1 241.423 1.506 10 0 BDAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000053033153 169262797 /nfs/dbraw/zinc/26/27/97/169262797.db2.gz XFHIWAUJRRMYQF-KBPBESRZSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[NH2+]C[C@@]1(C[N@@H+](C)CC(C)C)CCOC1 ZINC000051215643 169264047 /nfs/dbraw/zinc/26/40/47/169264047.db2.gz GAJFLEKORCKZRE-CQSZACIVSA-N 2 1 242.407 1.981 10 0 BDAEMP CCC[NH2+][C@@H](CCC)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000104128400 169278097 /nfs/dbraw/zinc/27/80/97/169278097.db2.gz DSXUANGYQGPIPZ-KGLIPLIRSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000061712020 169281983 /nfs/dbraw/zinc/28/19/83/169281983.db2.gz ULFOZFICCKPZIP-MELADBBJSA-N 2 1 240.391 1.611 10 0 BDAEMP CCC[C@@H](C)[N@H+](C)CC[C@H]([NH2+]C(C)C)C(N)=O ZINC000062450296 169365586 /nfs/dbraw/zinc/36/55/86/169365586.db2.gz UZZKGGDYKZZMBY-NEPJUHHUSA-N 2 1 243.395 1.349 10 0 BDAEMP CCC[C@@H](C)[N@@H+](C)CC[C@H]([NH2+]C(C)C)C(N)=O ZINC000062450296 169365588 /nfs/dbraw/zinc/36/55/88/169365588.db2.gz UZZKGGDYKZZMBY-NEPJUHHUSA-N 2 1 243.395 1.349 10 0 BDAEMP Cn1c2ccccc2[nH+]c1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335576304 384337457 /nfs/dbraw/zinc/33/74/57/384337457.db2.gz BDVLRICBUCDOGZ-MNOVXSKESA-N 2 1 244.342 1.535 10 0 BDAEMP Oc1ccc[nH+]c1NC[C@@H]1CCC[NH2+]C1 ZINC000095073832 384351350 /nfs/dbraw/zinc/35/13/50/384351350.db2.gz KUHRPBZHVBAIPA-SECBINFHSA-N 2 1 207.277 1.199 10 0 BDAEMP Cc1c(CNCCC[N@H+](C)C(C)C)cnn1C ZINC000229803304 384437191 /nfs/dbraw/zinc/43/71/91/384437191.db2.gz HCHQNWHORVVBJP-UHFFFAOYSA-N 2 1 238.379 1.548 10 0 BDAEMP Cc1c(C[NH2+]CCC[N@@H+](C)C(C)C)cnn1C ZINC000229803304 384437194 /nfs/dbraw/zinc/43/71/94/384437194.db2.gz HCHQNWHORVVBJP-UHFFFAOYSA-N 2 1 238.379 1.548 10 0 BDAEMP Cc1c(C[NH2+]CCC[N@H+](C)C(C)C)cnn1C ZINC000229803304 384437198 /nfs/dbraw/zinc/43/71/98/384437198.db2.gz HCHQNWHORVVBJP-UHFFFAOYSA-N 2 1 238.379 1.548 10 0 BDAEMP C[N@@H+](C1CC1)[C@@]1(CN)CCCSC1 ZINC000061589998 384520651 /nfs/dbraw/zinc/52/06/51/384520651.db2.gz HQZBODJCPFLLHB-SNVBAGLBSA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@H+](C1CC1)[C@@]1(C[NH3+])CCCSC1 ZINC000061589998 384520654 /nfs/dbraw/zinc/52/06/54/384520654.db2.gz HQZBODJCPFLLHB-SNVBAGLBSA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@@H+](C1CC1)[C@@]1(C[NH3+])CCCSC1 ZINC000061589998 384520659 /nfs/dbraw/zinc/52/06/59/384520659.db2.gz HQZBODJCPFLLHB-SNVBAGLBSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+][C@@H](CC[NH+]1CCCCC1)c1ccncc1 ZINC000084012018 384829030 /nfs/dbraw/zinc/82/90/30/384829030.db2.gz XQYMRAZQIUWEOO-ZDUSSCGKSA-N 2 1 219.332 1.957 10 0 BDAEMP c1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)c2c(c1)OCCO2 ZINC000398278665 384881808 /nfs/dbraw/zinc/88/18/08/384881808.db2.gz CNGMLVOCINDHIJ-LLVKDONJSA-N 2 1 248.326 1.157 10 0 BDAEMP Cn1c2ccccc2[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000335578765 384929953 /nfs/dbraw/zinc/92/99/53/384929953.db2.gz GSFFXPCOWWJUMF-MNOVXSKESA-N 2 1 244.342 1.677 10 0 BDAEMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000258838469 384946209 /nfs/dbraw/zinc/94/62/09/384946209.db2.gz GUZWXWCSNIWSMV-GFCCVEGCSA-N 2 1 234.343 1.703 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]C1CCSCC1)C2 ZINC000377489892 385073533 /nfs/dbraw/zinc/07/35/33/385073533.db2.gz ATSPGEQNLRNPPT-LLVKDONJSA-N 2 1 237.372 1.683 10 0 BDAEMP COCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371896741 385391816 /nfs/dbraw/zinc/39/18/16/385391816.db2.gz ADXVWWUEEQOZBF-WDEREUQCSA-N 2 1 223.320 1.213 10 0 BDAEMP FC1(F)CCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000307152728 385661753 /nfs/dbraw/zinc/66/17/53/385661753.db2.gz AMKDIYGKYKBDCE-IUCAKERBSA-N 2 1 204.264 1.373 10 0 BDAEMP C[C@H](C[NH3+])Nc1cc[nH+]c2ccsc21 ZINC000334968073 387050313 /nfs/dbraw/zinc/05/03/13/387050313.db2.gz PVUGTCUYKIAIHL-SSDOTTSWSA-N 2 1 207.302 1.477 10 0 BDAEMP CCC[N@@H+](CC)CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400400785 387153780 /nfs/dbraw/zinc/15/37/80/387153780.db2.gz PTSFGRLWNBWDJY-CHWSQXEVSA-N 2 1 227.396 1.306 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1[C@H]1CCCSC1 ZINC000575590998 387203975 /nfs/dbraw/zinc/20/39/75/387203975.db2.gz IOYITDIOMCNVOG-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1[C@H]1CCCSC1 ZINC000575590998 387203981 /nfs/dbraw/zinc/20/39/81/387203981.db2.gz IOYITDIOMCNVOG-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[N@@H+](CC2CSC2)CCC[NH2+]1 ZINC000575491080 387276610 /nfs/dbraw/zinc/27/66/10/387276610.db2.gz ZGULSJSPTVNGAP-VIFPVBQESA-N 2 1 200.351 1.033 10 0 BDAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000515516621 387384311 /nfs/dbraw/zinc/38/43/11/387384311.db2.gz AHOUOTHZMUSMAG-UONOGXRCSA-N 3 1 241.423 1.696 10 0 BDAEMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000575497920 387326451 /nfs/dbraw/zinc/32/64/51/387326451.db2.gz OOMAUUDILLTUPM-LPEHRKFASA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2CC([NH3+])C2)CCS1 ZINC000575521149 387453207 /nfs/dbraw/zinc/45/32/07/387453207.db2.gz OOMAUUDILLTUPM-XNWIYYODSA-N 2 1 200.351 1.161 10 0 BDAEMP CCOC1CC(CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423074802 387874048 /nfs/dbraw/zinc/87/40/48/387874048.db2.gz VIZAVTWUZBCMKL-MOENNCHZSA-N 2 1 212.337 1.143 10 0 BDAEMP c1cn(CCN2CC[N@H+]3CCCC[C@H]3C2)cn1 ZINC000245583951 387964296 /nfs/dbraw/zinc/96/42/96/387964296.db2.gz DGQCSNMIENPFME-ZDUSSCGKSA-N 2 1 234.347 1.053 10 0 BDAEMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000336660223 388089644 /nfs/dbraw/zinc/08/96/44/388089644.db2.gz BTWWSIJNJVMMRF-WDEREUQCSA-N 2 1 216.369 1.323 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])C1 ZINC000071509209 388096403 /nfs/dbraw/zinc/09/64/03/388096403.db2.gz SUEVMBMZZZPHAP-STQMWFEESA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000300984908 388396788 /nfs/dbraw/zinc/39/67/88/388396788.db2.gz SNNITBVOBHPVAZ-UTLUCORTSA-N 2 1 218.291 1.701 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000300984908 388396790 /nfs/dbraw/zinc/39/67/90/388396790.db2.gz SNNITBVOBHPVAZ-UTLUCORTSA-N 2 1 218.291 1.701 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCSC1)C2 ZINC000367821052 388566503 /nfs/dbraw/zinc/56/65/03/388566503.db2.gz MSEIXDNUCQUKEK-GHMZBOCLSA-N 2 1 237.372 1.683 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCSC1)C2 ZINC000367821062 388566586 /nfs/dbraw/zinc/56/65/86/388566586.db2.gz MSEIXDNUCQUKEK-WDEREUQCSA-N 2 1 237.372 1.683 10 0 BDAEMP CC[C@@H]1CS[C@]2(CC[NH2+][C@H](C)C2)[NH2+]1 ZINC000575511528 389007869 /nfs/dbraw/zinc/00/78/69/389007869.db2.gz FQUFPUKVWBSGLK-BBBLOLIVSA-N 2 1 200.351 1.570 10 0 BDAEMP CC[C@@H]1CN(c2ccnc(C[NH3+])c2)CC[N@H+]1C ZINC000104132044 132434469 /nfs/dbraw/zinc/43/44/69/132434469.db2.gz RMQVRAPSRIPPDP-GFCCVEGCSA-N 2 1 234.347 1.071 10 0 BDAEMP C(C1CCOCC1)[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221424199 134324259 /nfs/dbraw/zinc/32/42/59/134324259.db2.gz FYQDJCQDTVUZDS-CHWSQXEVSA-N 2 1 224.348 1.097 10 0 BDAEMP O[C@@H]1CC[C@@H]2C[N@@H+](CCC[NH+]3CCCC3)C[C@H]12 ZINC000252857405 135114176 /nfs/dbraw/zinc/11/41/76/135114176.db2.gz IJRSMFUJKWIHKZ-HZSPNIEDSA-N 2 1 238.375 1.175 10 0 BDAEMP CCSCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261528038 135153069 /nfs/dbraw/zinc/15/30/69/135153069.db2.gz IZLCRBGKKVFPDG-QWRGUYRKSA-N 2 1 216.394 1.799 10 0 BDAEMP CCSCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261528038 135153070 /nfs/dbraw/zinc/15/30/70/135153070.db2.gz IZLCRBGKKVFPDG-QWRGUYRKSA-N 2 1 216.394 1.799 10 0 BDAEMP Cc1ncccc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261541821 135182089 /nfs/dbraw/zinc/18/20/89/135182089.db2.gz BNCGAKHUUGVDPI-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1ncccc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261541821 135182090 /nfs/dbraw/zinc/18/20/90/135182090.db2.gz BNCGAKHUUGVDPI-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP C[C@H](c1cnn(C)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261544410 135185269 /nfs/dbraw/zinc/18/52/69/135185269.db2.gz XWPSTNYQUXWQJZ-NEPJUHHUSA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@H](c1cnn(C)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261544410 135185270 /nfs/dbraw/zinc/18/52/70/135185270.db2.gz XWPSTNYQUXWQJZ-NEPJUHHUSA-N 2 1 236.363 1.413 10 0 BDAEMP Cn1cc(CC[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261545174 135186875 /nfs/dbraw/zinc/18/68/75/135186875.db2.gz FTEDMVFRDKGKCZ-GFCCVEGCSA-N 2 1 236.363 1.022 10 0 BDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000261550912 135189878 /nfs/dbraw/zinc/18/98/78/135189878.db2.gz PYDJWDVDCCKLFI-XCBNKYQSSA-N 2 1 246.763 1.071 10 0 BDAEMP Cc1cc(N2CC[C@@H]([NH3+])C(C)(C)C2)nc(C)[nH+]1 ZINC000261553279 135192626 /nfs/dbraw/zinc/19/26/26/135192626.db2.gz NSBFWONXRUXOHI-LLVKDONJSA-N 2 1 234.347 1.657 10 0 BDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000261557817 135198890 /nfs/dbraw/zinc/19/88/90/135198890.db2.gz XPNVLFRBUYWPKA-APPZFPTMSA-N 2 1 246.763 1.071 10 0 BDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1Cl ZINC000262188893 135285000 /nfs/dbraw/zinc/28/50/00/135285000.db2.gz YBVVTEVNSVYZKM-PWSUYJOCSA-N 2 1 240.734 1.010 10 0 BDAEMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N(C)C ZINC000128921608 398098235 /nfs/dbraw/zinc/09/82/35/398098235.db2.gz YKSBFQYETXTMBS-ZIAGYGMSSA-N 2 1 241.423 1.694 10 0 BDAEMP CC(C)C[NH2+]C[C@@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000053031644 167006181 /nfs/dbraw/zinc/00/61/81/167006181.db2.gz DPDNNBSOIIQCAC-UONOGXRCSA-N 2 1 239.407 1.258 10 0 BDAEMP CC(C)[N@H+]1CCc2nc(CCC[NH3+])sc2C1 ZINC000054139497 167027059 /nfs/dbraw/zinc/02/70/59/167027059.db2.gz KBQICNHZFDTBAE-UHFFFAOYSA-N 2 1 239.388 1.801 10 0 BDAEMP CC(C)OCC[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000062568749 167233167 /nfs/dbraw/zinc/23/31/67/167233167.db2.gz NUPKJWSUPVCJHD-NSHDSACASA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)OCC[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000062568749 167233169 /nfs/dbraw/zinc/23/31/69/167233169.db2.gz NUPKJWSUPVCJHD-NSHDSACASA-N 2 1 200.326 1.095 10 0 BDAEMP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCC[C@H](O)C1 ZINC000051257104 167003204 /nfs/dbraw/zinc/00/32/04/167003204.db2.gz FJSMCWRYAUXRQG-ZDUSSCGKSA-N 2 1 242.407 1.715 10 0 BDAEMP CC(C)[C@@H](C)NC(=O)C[N@@H+](CCC[NH3+])C(C)C ZINC000049307603 167373208 /nfs/dbraw/zinc/37/32/08/167373208.db2.gz YSJUOQMLWZNHOR-GFCCVEGCSA-N 2 1 243.395 1.206 10 0 BDAEMP CC(C)[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C(C)C ZINC000049307603 167373207 /nfs/dbraw/zinc/37/32/07/167373207.db2.gz YSJUOQMLWZNHOR-GFCCVEGCSA-N 2 1 243.395 1.206 10 0 BDAEMP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000398421133 410965328 /nfs/dbraw/zinc/96/53/28/410965328.db2.gz YKERVUFSUHRDLH-SNVBAGLBSA-N 2 1 238.306 1.533 10 0 BDAEMP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@H]1CCCO1 ZINC000401712668 411170317 /nfs/dbraw/zinc/17/03/17/411170317.db2.gz FNANWURRNNPLCP-IRCOFANPSA-N 2 1 212.337 1.142 10 0 BDAEMP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@H]1CCCO1 ZINC000401712671 411299186 /nfs/dbraw/zinc/29/91/86/411299186.db2.gz FNANWURRNNPLCP-NNYUYHANSA-N 2 1 212.337 1.142 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]21 ZINC000656699952 411324218 /nfs/dbraw/zinc/32/42/18/411324218.db2.gz OGDVKZHMCRATDR-RWMBFGLXSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]21 ZINC000656699952 411324222 /nfs/dbraw/zinc/32/42/22/411324222.db2.gz OGDVKZHMCRATDR-RWMBFGLXSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]21 ZINC000656699952 411324223 /nfs/dbraw/zinc/32/42/23/411324223.db2.gz OGDVKZHMCRATDR-RWMBFGLXSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000656699952 411324227 /nfs/dbraw/zinc/32/42/27/411324227.db2.gz OGDVKZHMCRATDR-RWMBFGLXSA-N 2 1 226.364 1.172 10 0 BDAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000656699952 411324229 /nfs/dbraw/zinc/32/42/29/411324229.db2.gz OGDVKZHMCRATDR-RWMBFGLXSA-N 2 1 226.364 1.172 10 0 BDAEMP CC1([NH2+][C@@H]2CCOC[C@H]2[NH3+])CCCCC1 ZINC000091691216 168064805 /nfs/dbraw/zinc/06/48/05/168064805.db2.gz UGIKJLOXFBHPJV-GHMZBOCLSA-N 2 1 212.337 1.415 10 0 BDAEMP CC1CC[NH+](Cc2csc(CC[NH3+])n2)CC1 ZINC000033468805 168184120 /nfs/dbraw/zinc/18/41/20/168184120.db2.gz URBYTGOLPXXILJ-UHFFFAOYSA-N 2 1 239.388 1.876 10 0 BDAEMP CN1CCC[C@@H](C[N@@H+](C)[C@@H]2CCCC[C@H]2O)C1 ZINC000659950369 411392363 /nfs/dbraw/zinc/39/23/63/411392363.db2.gz ZSCJAPSMFHGDQL-MGPQQGTHSA-N 2 1 240.391 1.564 10 0 BDAEMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000659950369 411392366 /nfs/dbraw/zinc/39/23/66/411392366.db2.gz ZSCJAPSMFHGDQL-MGPQQGTHSA-N 2 1 240.391 1.564 10 0 BDAEMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000659950369 411392368 /nfs/dbraw/zinc/39/23/68/411392368.db2.gz ZSCJAPSMFHGDQL-MGPQQGTHSA-N 2 1 240.391 1.564 10 0 BDAEMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000659950369 411392371 /nfs/dbraw/zinc/39/23/71/411392371.db2.gz ZSCJAPSMFHGDQL-MGPQQGTHSA-N 2 1 240.391 1.564 10 0 BDAEMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[C@H]1O ZINC000659950369 411392372 /nfs/dbraw/zinc/39/23/72/411392372.db2.gz ZSCJAPSMFHGDQL-MGPQQGTHSA-N 2 1 240.391 1.564 10 0 BDAEMP CC[N@H+]1CC[C@H](CNC2=[NH+]CCS2)C1 ZINC000037484491 170015912 /nfs/dbraw/zinc/01/59/12/170015912.db2.gz SMGFKJRSVLQKPE-SECBINFHSA-N 2 1 213.350 1.021 10 0 BDAEMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000336906988 170022284 /nfs/dbraw/zinc/02/22/84/170022284.db2.gz YKYGDMAGLMJXMK-HZSPNIEDSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000336906988 170022286 /nfs/dbraw/zinc/02/22/86/170022286.db2.gz YKYGDMAGLMJXMK-HZSPNIEDSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336906988 170022287 /nfs/dbraw/zinc/02/22/87/170022287.db2.gz YKYGDMAGLMJXMK-HZSPNIEDSA-N 2 1 237.391 1.297 10 0 BDAEMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000336906988 170022289 /nfs/dbraw/zinc/02/22/89/170022289.db2.gz YKYGDMAGLMJXMK-HZSPNIEDSA-N 2 1 237.391 1.297 10 0 BDAEMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336906988 170022290 /nfs/dbraw/zinc/02/22/90/170022290.db2.gz YKYGDMAGLMJXMK-HZSPNIEDSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[N@@H+]1C[C@H](NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000309986102 170035915 /nfs/dbraw/zinc/03/59/15/170035915.db2.gz YHPQBIKCNDFTJL-AAEUAGOBSA-N 2 1 225.380 1.010 10 0 BDAEMP CC[NH2+]C1CC[NH+]([C@H](C)[C@@H]2CCCO2)CC1 ZINC000035735968 170109752 /nfs/dbraw/zinc/10/97/52/170109752.db2.gz KYKGSAUACLDJBE-YPMHNXCESA-N 2 1 226.364 1.628 10 0 BDAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1nccn1C ZINC000062326263 170112364 /nfs/dbraw/zinc/11/23/64/170112364.db2.gz YOPSHWBWELCMMN-GFCCVEGCSA-N 2 1 238.379 1.630 10 0 BDAEMP CC[NH2+]C[C@@H](O)C[N@@H+](CCOC)C(CC)CC ZINC000042615902 170119225 /nfs/dbraw/zinc/11/92/25/170119225.db2.gz QYRVVEWVESJZGK-CYBMUJFWSA-N 2 1 246.395 1.094 10 0 BDAEMP CC[NH2+]C[C@H](C)C[N@@H+](CCCOC)CCOC ZINC000052543214 170121634 /nfs/dbraw/zinc/12/16/34/170121634.db2.gz CRSBPBHKQHEISD-ZDUSSCGKSA-N 2 1 246.395 1.217 10 0 BDAEMP CC[NH2+]C[C@H]1CCCN(c2[nH+]ccn2C)C1 ZINC000053696211 170122801 /nfs/dbraw/zinc/12/28/01/170122801.db2.gz PZEQQGRKUOYGGY-LLVKDONJSA-N 2 1 222.336 1.246 10 0 BDAEMP CC[NH2+]Cc1cccc(-n2cc[nH+]c2C)n1 ZINC000051490845 170128282 /nfs/dbraw/zinc/12/82/82/170128282.db2.gz SZAPFGWTCBGKMB-UHFFFAOYSA-N 2 1 216.288 1.685 10 0 BDAEMP CC[NH2+][C@@H](C)CCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000104125948 170139453 /nfs/dbraw/zinc/13/94/53/170139453.db2.gz CIFVQVSGXIXGKL-ZDUSSCGKSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104420279 170140748 /nfs/dbraw/zinc/14/07/48/170140748.db2.gz UMVHJIDKZMECFY-DGAVXFQQSA-N 2 1 240.391 1.610 10 0 BDAEMP CCOCCC[NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000053344544 170380417 /nfs/dbraw/zinc/38/04/17/170380417.db2.gz NPTAIGVYGMQYPP-KBPBESRZSA-N 2 1 242.407 1.981 10 0 BDAEMP CCOCCC[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000076519208 170380473 /nfs/dbraw/zinc/38/04/73/170380473.db2.gz MAZRGEDJWSHVIH-ZDUSSCGKSA-N 2 1 228.380 1.733 10 0 BDAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](CCOC)[C@@H](C)COC ZINC000042607945 170812270 /nfs/dbraw/zinc/81/22/70/170812270.db2.gz DKAGBZZSPRAFKQ-QWRGUYRKSA-N 2 1 245.367 1.074 10 0 BDAEMP C[N@@H+](CCO[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662265476 412057446 /nfs/dbraw/zinc/05/74/46/412057446.db2.gz CADYXFSCVOETNJ-GHMZBOCLSA-N 2 1 248.317 1.485 10 0 BDAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H](C)C[NH2+]1 ZINC000049662857 171011057 /nfs/dbraw/zinc/01/10/57/171011057.db2.gz NSOSETYSNPKYAB-MCIONIFRSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@@H]1CN(CCC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000104141460 171080648 /nfs/dbraw/zinc/08/06/48/171080648.db2.gz VNRRAXXYOGOOSQ-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[C@H](C)C[N@@H+](C)C[C@]1(C[NH2+]C)CCCOC1 ZINC000104317391 171275366 /nfs/dbraw/zinc/27/53/66/171275366.db2.gz XOGISDTZUIJYDY-UONOGXRCSA-N 2 1 242.407 1.981 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000665236912 412177196 /nfs/dbraw/zinc/17/71/96/412177196.db2.gz WHVFBWJWBNQOHF-RWMBFGLXSA-N 2 1 239.407 1.447 10 0 BDAEMP CCc1[nH+]ccn1Cc1cc(C[NH3+])c(C)o1 ZINC000052592969 172026699 /nfs/dbraw/zinc/02/66/99/172026699.db2.gz VLZQOXZRJNHQDO-UHFFFAOYSA-N 2 1 219.288 1.854 10 0 BDAEMP CCc1nnc(C[NH+]2CCC(C[NH2+]C)CC2)o1 ZINC000063166141 172048107 /nfs/dbraw/zinc/04/81/07/172048107.db2.gz ZOAHGYDOEXSPAN-UHFFFAOYSA-N 2 1 238.335 1.063 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]CCn1ccnc1 ZINC000049857922 173007641 /nfs/dbraw/zinc/00/76/41/173007641.db2.gz OGCBRRFJQJGUNB-ZDUSSCGKSA-N 2 1 236.363 1.347 10 0 BDAEMP C[N@@H+]1CCCC[C@H]1c1nnc(CCC[NH3+])o1 ZINC000095828884 173009425 /nfs/dbraw/zinc/00/94/25/173009425.db2.gz UBJYQLMNAJPRLL-VIFPVBQESA-N 2 1 224.308 1.118 10 0 BDAEMP C[N@H+]1CCCC[C@H]1c1nnc(CCC[NH3+])o1 ZINC000095828884 173009427 /nfs/dbraw/zinc/00/94/27/173009427.db2.gz UBJYQLMNAJPRLL-VIFPVBQESA-N 2 1 224.308 1.118 10 0 BDAEMP C[N@H+]1CCCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000054027331 173014425 /nfs/dbraw/zinc/01/44/25/173014425.db2.gz SAIRNYFOFVUHDD-LBPRGKRZSA-N 2 1 227.396 1.387 10 0 BDAEMP CN(CC1([NH3+])CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000053247625 173043674 /nfs/dbraw/zinc/04/36/74/173043674.db2.gz ILXVEOGVOUGCET-LBPRGKRZSA-N 2 1 225.380 1.284 10 0 BDAEMP CN1CCC[C@H]([N@@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000053247613 173045222 /nfs/dbraw/zinc/04/52/22/173045222.db2.gz SHNRANAIQYGSDH-RUXDESIVSA-N 2 1 239.407 1.530 10 0 BDAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CCO)C1 ZINC000336697137 173052899 /nfs/dbraw/zinc/05/28/99/173052899.db2.gz HVXSSAVIFAXPEG-OLZOCXBDSA-N 2 1 226.364 1.175 10 0 BDAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000336697137 173052900 /nfs/dbraw/zinc/05/29/00/173052900.db2.gz HVXSSAVIFAXPEG-OLZOCXBDSA-N 2 1 226.364 1.175 10 0 BDAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](CCO)C1 ZINC000336697137 173052902 /nfs/dbraw/zinc/05/29/02/173052902.db2.gz HVXSSAVIFAXPEG-OLZOCXBDSA-N 2 1 226.364 1.175 10 0 BDAEMP CN1CC[C@@H]([NH3+])[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000058081895 173119855 /nfs/dbraw/zinc/11/98/55/173119855.db2.gz PZNCCKNONWHSRL-LSDHHAIUSA-N 2 1 247.386 1.397 10 0 BDAEMP CN(Cc1ccccc1)C[C@@H]1C[N@H+](C)CC[C@H]1[NH3+] ZINC000058081895 173119856 /nfs/dbraw/zinc/11/98/56/173119856.db2.gz PZNCCKNONWHSRL-LSDHHAIUSA-N 2 1 247.386 1.397 10 0 BDAEMP CN(Cc1ccccc1)C[C@@H]1C[N@@H+](C)CC[C@H]1[NH3+] ZINC000058081895 173119859 /nfs/dbraw/zinc/11/98/59/173119859.db2.gz PZNCCKNONWHSRL-LSDHHAIUSA-N 2 1 247.386 1.397 10 0 BDAEMP Cn1cccc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000162272488 173143002 /nfs/dbraw/zinc/14/30/02/173143002.db2.gz NWRUFFSISYQZRQ-LBPRGKRZSA-N 2 1 221.348 1.409 10 0 BDAEMP Cn1cccc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000162272488 173143005 /nfs/dbraw/zinc/14/30/05/173143005.db2.gz NWRUFFSISYQZRQ-LBPRGKRZSA-N 2 1 221.348 1.409 10 0 BDAEMP Cn1cccc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000162272488 173143006 /nfs/dbraw/zinc/14/30/06/173143006.db2.gz NWRUFFSISYQZRQ-LBPRGKRZSA-N 2 1 221.348 1.409 10 0 BDAEMP Cn1cccc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000162272488 173143007 /nfs/dbraw/zinc/14/30/07/173143007.db2.gz NWRUFFSISYQZRQ-LBPRGKRZSA-N 2 1 221.348 1.409 10 0 BDAEMP C[N@H+]1CC[C@H](CNC2=[NH+]CCCS2)C1 ZINC000037485223 173147556 /nfs/dbraw/zinc/14/75/56/173147556.db2.gz UHTGQBXCGVBGDT-SECBINFHSA-N 2 1 213.350 1.021 10 0 BDAEMP C[NH2+]C1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000044537337 173323176 /nfs/dbraw/zinc/32/31/76/173323176.db2.gz YHBLXXQVNRXMFF-LBPRGKRZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH2+]CC[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061935501 173358359 /nfs/dbraw/zinc/35/83/59/173358359.db2.gz OJMKBYUAUNTPRQ-WDEREUQCSA-N 2 1 200.326 1.095 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC000051210270 173372987 /nfs/dbraw/zinc/37/29/87/173372987.db2.gz HUTDQLIBKHZQHZ-QWHCGFSZSA-N 2 1 226.364 1.344 10 0 BDAEMP C[NH2+]Cc1c(C)nn(CCn2cc[nH+]c2C)c1C ZINC000049331274 173384850 /nfs/dbraw/zinc/38/48/50/173384850.db2.gz ZCDPFEKZFRNLPP-UHFFFAOYSA-N 2 1 247.346 1.424 10 0 BDAEMP C[NH2+]Cc1cc(C[N@H+]2CCCC[C@H]2C)on1 ZINC000052378764 173386972 /nfs/dbraw/zinc/38/69/72/173386972.db2.gz NVHNVYNROQZHOZ-SNVBAGLBSA-N 2 1 223.320 1.768 10 0 BDAEMP C[NH2+]Cc1cc(C[N@H+]2CC[C@@H](C)C2)on1 ZINC000052484444 173387259 /nfs/dbraw/zinc/38/72/59/173387259.db2.gz LCPVAOCMSSWCKQ-SECBINFHSA-N 2 1 209.293 1.236 10 0 BDAEMP C[NH2+]Cc1cc(OCC[C@H]2CCC[N@H+]2C)ccn1 ZINC000051549408 173387547 /nfs/dbraw/zinc/38/75/47/173387547.db2.gz JJVOVTDTUZNRPV-CYBMUJFWSA-N 2 1 249.358 1.664 10 0 BDAEMP COC1CC[NH+]([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054135023 174029986 /nfs/dbraw/zinc/02/99/86/174029986.db2.gz PNGYBMOCBBCHEQ-LLVKDONJSA-N 2 1 212.337 1.239 10 0 BDAEMP COCC[N@@H+](C)C[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053971837 174278644 /nfs/dbraw/zinc/27/86/44/174278644.db2.gz PHBRIUHVNBYQGQ-OCCSQVGLSA-N 2 1 236.359 1.901 10 0 BDAEMP COCCN(CCC(N)=[NH2+])c1[nH+]cccc1C ZINC000071229392 174289670 /nfs/dbraw/zinc/28/96/70/174289670.db2.gz BDHJCARNOFEIRC-UHFFFAOYSA-N 2 1 236.319 1.169 10 0 BDAEMP COCC[N@H+](Cc1cc(C[NH3+])no1)CC(C)C ZINC000052508600 174299691 /nfs/dbraw/zinc/29/96/91/174299691.db2.gz HEROVNZLZFRKMM-UHFFFAOYSA-N 2 1 241.335 1.238 10 0 BDAEMP COCC[N@H+]([C@H](C)COC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042607149 174303025 /nfs/dbraw/zinc/30/30/25/174303025.db2.gz RPWRTSRMAVMUOO-FRRDWIJNSA-N 2 1 244.379 1.240 10 0 BDAEMP COCC[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020048131 174332854 /nfs/dbraw/zinc/33/28/54/174332854.db2.gz OPNXCAFXFQNISG-UHFFFAOYSA-N 2 1 236.359 1.745 10 0 BDAEMP C[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020217744 176083732 /nfs/dbraw/zinc/08/37/32/176083732.db2.gz HKJGBXOBIKXYGI-KGLIPLIRSA-N 2 1 239.407 1.532 10 0 BDAEMP C[C@@H]1CCC[N@@H+](Cc2cc(C[NH3+])co2)C1 ZINC000052381458 176099737 /nfs/dbraw/zinc/09/97/37/176099737.db2.gz CWWIMWJWOKWJGT-SNVBAGLBSA-N 2 1 208.305 1.970 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H](O)[C@H]1[NH3+] ZINC000245204377 176175231 /nfs/dbraw/zinc/17/52/31/176175231.db2.gz AKYCYJKHFYEHSO-XBFCOCLRSA-N 2 1 234.343 1.217 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000040716990 176175699 /nfs/dbraw/zinc/17/56/99/176175699.db2.gz LHBMNQCXRNBFIA-LLVKDONJSA-N 2 1 204.317 1.987 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H](O)[C@@H]1[NH3+] ZINC000021994301 176175780 /nfs/dbraw/zinc/17/57/80/176175780.db2.gz AKYCYJKHFYEHSO-MRVWCRGKSA-N 2 1 234.343 1.217 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccncc1 ZINC000042427322 176223432 /nfs/dbraw/zinc/22/34/32/176223432.db2.gz DHPMVNHQRDZMKX-DGCLKSJQSA-N 2 1 219.332 1.641 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccn1 ZINC000042427380 176224196 /nfs/dbraw/zinc/22/41/96/176224196.db2.gz TYSYXCHVNLVYRH-VXGBXAGGSA-N 2 1 219.332 1.641 10 0 BDAEMP C[C@@H]1C[N@H+](C2CCSCC2)C[C@@]1(C)C[NH3+] ZINC000335349926 176283156 /nfs/dbraw/zinc/28/31/56/176283156.db2.gz YEMIGBYIPLKBRN-ZYHUDNBSSA-N 2 1 228.405 1.799 10 0 BDAEMP C[C@@H]1C[NH+](CC2(C[NH3+])CCCC2)C[C@@H](C)O1 ZINC000051209689 176284341 /nfs/dbraw/zinc/28/43/41/176284341.db2.gz GRTNXBMYPJZGEI-VXGBXAGGSA-N 2 1 226.364 1.615 10 0 BDAEMP C[C@@H]1C[N@@H+](CCc2ccsc2)CC[C@@H]1[NH3+] ZINC000049713587 176295287 /nfs/dbraw/zinc/29/52/87/176295287.db2.gz FRZBKAZJDNTHNV-PWSUYJOCSA-N 2 1 224.373 1.960 10 0 BDAEMP C[C@@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)CC[N@H+]1C ZINC000104135923 176302759 /nfs/dbraw/zinc/30/27/59/176302759.db2.gz YTWYTDQXOQKDHM-LLVKDONJSA-N 2 1 246.358 1.107 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccc(C(N)=[NH2+])cc2)CCN1C ZINC000104135923 176302761 /nfs/dbraw/zinc/30/27/61/176302761.db2.gz YTWYTDQXOQKDHM-LLVKDONJSA-N 2 1 246.358 1.107 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)CCN1C ZINC000104135923 176302763 /nfs/dbraw/zinc/30/27/63/176302763.db2.gz YTWYTDQXOQKDHM-LLVKDONJSA-N 2 1 246.358 1.107 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2occc2C[NH3+])CCCO1 ZINC000061935395 176313635 /nfs/dbraw/zinc/31/36/35/176313635.db2.gz MQJITZGXLVWXRF-SNVBAGLBSA-N 2 1 224.304 1.349 10 0 BDAEMP C[C@H](c1cccc(O)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245127 177037783 /nfs/dbraw/zinc/03/77/83/177037783.db2.gz GZHJSHXTQHOXOR-GHMZBOCLSA-N 2 1 220.316 1.734 10 0 BDAEMP C[C@H](c1ccncc1)[NH+]1CCC[NH2+]CCC1 ZINC000049666715 177051469 /nfs/dbraw/zinc/05/14/69/177051469.db2.gz WYMIRQYIKIMBFN-GFCCVEGCSA-N 2 1 219.332 1.828 10 0 BDAEMP C[C@H]1CCC[C@](C[NH3+])([N@H+]2CCCOCC2)C1 ZINC000061916617 177143744 /nfs/dbraw/zinc/14/37/44/177143744.db2.gz FGWJJXRXLQCEHY-STQMWFEESA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)CCN1 ZINC000044526818 177158312 /nfs/dbraw/zinc/15/83/12/177158312.db2.gz XEHDHQPBNLQBMI-LBPRGKRZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CCN1 ZINC000044526818 177158314 /nfs/dbraw/zinc/15/83/14/177158314.db2.gz XEHDHQPBNLQBMI-LBPRGKRZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000040716985 177163703 /nfs/dbraw/zinc/16/37/03/177163703.db2.gz MPOGSZSAPLFJRA-NSHDSACASA-N 2 1 204.317 1.987 10 0 BDAEMP C[C@H]1C[N@H+](C2(C[NH3+])CCCC2)CCCO1 ZINC000061916234 177240055 /nfs/dbraw/zinc/24/00/55/177240055.db2.gz ZZMCEFKWJBEAAZ-NSHDSACASA-N 2 1 212.337 1.369 10 0 BDAEMP C[C@H]1C[N@H+](CC2([NH3+])CCCC2)CCCO1 ZINC000061934594 177245701 /nfs/dbraw/zinc/24/57/01/177245701.db2.gz WICSPDBQZMPSJW-NSHDSACASA-N 2 1 212.337 1.369 10 0 BDAEMP C[C@H]1C[N@@H+](CC2([NH3+])CCCC2)CCCO1 ZINC000061934594 177245702 /nfs/dbraw/zinc/24/57/02/177245702.db2.gz WICSPDBQZMPSJW-NSHDSACASA-N 2 1 212.337 1.369 10 0 BDAEMP C[C@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1[NH3+] ZINC000302252393 177247909 /nfs/dbraw/zinc/24/79/09/177247909.db2.gz LEEPTTAGVCAKLI-JSGCOSHPSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1[NH3+] ZINC000302252393 177247911 /nfs/dbraw/zinc/24/79/11/177247911.db2.gz LEEPTTAGVCAKLI-JSGCOSHPSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000021954458 177261761 /nfs/dbraw/zinc/26/17/61/177261761.db2.gz GVHDQBXATXTDCA-NSHDSACASA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000021954458 177261763 /nfs/dbraw/zinc/26/17/63/177261763.db2.gz GVHDQBXATXTDCA-NSHDSACASA-N 2 1 220.316 1.366 10 0 BDAEMP C[C@H]1C[N@H+]([C@@](C)(C[NH3+])C2CC2)CCCO1 ZINC000061915168 177275708 /nfs/dbraw/zinc/27/57/08/177275708.db2.gz VZOLMKMGUYIHNG-JQWIXIFHSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@H]1C[NH2+]CCN(C[C@@H]2CCCC[N@H+]2C)C1 ZINC000044564206 177282353 /nfs/dbraw/zinc/28/23/53/177282353.db2.gz HSSPRCBDGMSDRF-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@H+](CCc2ccccn2)C1 ZINC000049662120 177282647 /nfs/dbraw/zinc/28/26/47/177282647.db2.gz XCNZOJHFCRAMPO-LBPRGKRZSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@@H+](CCc2ccccn2)C1 ZINC000049662120 177282648 /nfs/dbraw/zinc/28/26/48/177282648.db2.gz XCNZOJHFCRAMPO-LBPRGKRZSA-N 2 1 219.332 1.165 10 0 BDAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CCc1ccncc1 ZINC000104213289 177286071 /nfs/dbraw/zinc/28/60/71/177286071.db2.gz CNVIXQOSBMARIA-GXTWGEPZSA-N 2 1 233.359 1.411 10 0 BDAEMP C[C@@H]([NH3+])CC[NH2+]Cc1nc2c(s1)CCC2 ZINC000666775566 487878647 /nfs/dbraw/zinc/87/86/47/487878647.db2.gz XDVKZWQWOJYOOC-MRVPVSSYSA-N 2 1 225.361 1.459 10 0 BDAEMP COc1ccncc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566732298 326077254 /nfs/dbraw/zinc/07/72/54/326077254.db2.gz WWOPZIQZEOKJRI-NEPJUHHUSA-N 2 1 249.358 1.568 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CC=CC3)C[C@H]12 ZINC000662266474 487502563 /nfs/dbraw/zinc/50/25/63/487502563.db2.gz MFMSNEHIPHBSIS-FRRDWIJNSA-N 2 1 206.333 1.622 10 0 BDAEMP CCc1nc(NCCOCCC[NH3+])cc(C)[nH+]1 ZINC000630534168 490101629 /nfs/dbraw/zinc/10/16/29/490101629.db2.gz IBQQBACJRUIYQE-UHFFFAOYSA-N 2 1 238.335 1.125 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CC[N@H+]1C ZINC000129118431 490599995 /nfs/dbraw/zinc/59/99/95/490599995.db2.gz OUXZEPNDYLYBML-XQHKEYJVSA-N 2 1 226.364 1.220 10 0 BDAEMP CC[N@H+]1C[C@H](C)[C@H](NCc2cc[nH]c2)C1 ZINC000309049451 491051987 /nfs/dbraw/zinc/05/19/87/491051987.db2.gz QAHXJOFZPZOGKM-CMPLNLGQSA-N 2 1 207.321 1.445 10 0 BDAEMP C[C@@H]1[NH2+]CCC[C@]12CCC[N@H+]2CCCF ZINC000757130803 582504871 /nfs/dbraw/zinc/50/48/71/582504871.db2.gz OCKQSXDDTRLZSL-RYUDHWBXSA-N 2 1 214.328 1.953 10 0 BDAEMP C[C@@H]1O[C@]2(CCC[N@@H+](C)CC2)[NH2+]CC1(C)C ZINC000757150340 582534965 /nfs/dbraw/zinc/53/49/65/582534965.db2.gz QTIOVCLAZWQVNF-AAEUAGOBSA-N 2 1 226.364 1.833 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000400518579 533989827 /nfs/dbraw/zinc/98/98/27/533989827.db2.gz NSQILCKCWNLCNX-DGAVXFQQSA-N 2 1 237.391 1.201 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400353308 528502152 /nfs/dbraw/zinc/50/21/52/528502152.db2.gz LCFDAWWGMOUGBL-HZSPNIEDSA-N 2 1 241.423 1.550 10 0 BDAEMP CCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080513 537904160 /nfs/dbraw/zinc/90/41/60/537904160.db2.gz SGOZIZRFZGRWIC-QWRGUYRKSA-N 2 1 212.337 1.225 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000396908645 583093161 /nfs/dbraw/zinc/09/31/61/583093161.db2.gz HSDUYCABSJKPPH-VHSXEESVSA-N 2 1 230.233 1.720 10 0 BDAEMP FCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757132588 582507955 /nfs/dbraw/zinc/50/79/55/582507955.db2.gz RMMAUXSEAGOSNF-UHFFFAOYSA-N 2 1 200.301 1.564 10 0 BDAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757148533 582532607 /nfs/dbraw/zinc/53/26/07/582532607.db2.gz VFWSDKLJQMRKHV-AWEZNQCLSA-N 2 1 238.375 1.979 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]CC[C@@H]1c1cccc2cc[nH]c21 ZINC000757217128 586441366 /nfs/dbraw/zinc/44/13/66/586441366.db2.gz RHZGYLSYUNJAPZ-ZYHUDNBSSA-N 2 1 215.300 1.572 10 0 BDAEMP C[C@@H]1[NH2+][C@@H](c2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000757217733 586441765 /nfs/dbraw/zinc/44/17/65/586441765.db2.gz SDEIQVAUWPLADC-ZWKOPEQDSA-N 3 1 219.332 1.286 10 0 BDAEMP CC(C)(C)n1cc([C@H]2CC[NH2+][C@@H](C[NH3+])C2)cn1 ZINC000757238512 586444388 /nfs/dbraw/zinc/44/43/88/586444388.db2.gz SIMAZKVIYZJHCR-CMPLNLGQSA-N 2 1 236.363 1.432 10 0 BDAEMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000309756799 633238371 /nfs/dbraw/zinc/23/83/71/633238371.db2.gz HTHUYEGNXSYXNT-UTUOFQBUSA-N 2 1 219.332 1.834 10 0 BDAEMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000123492617 634240145 /nfs/dbraw/zinc/24/01/45/634240145.db2.gz KAXTYSDKLPVSHQ-AXFHLTTASA-N 2 1 214.378 1.551 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250827191 635498263 /nfs/dbraw/zinc/49/82/63/635498263.db2.gz YIGJNWGQFWEZSG-YUTCNCBUSA-N 2 1 216.328 1.823 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253236130 642633210 /nfs/dbraw/zinc/63/32/10/642633210.db2.gz NJTQQHIHIUDOBZ-IJLUTSLNSA-N 2 1 212.337 1.082 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H]1CCC[NH2+]1 ZINC000227650072 642973083 /nfs/dbraw/zinc/97/30/83/642973083.db2.gz KXSQWXLCNTXORA-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP C[NH2+]C[C@H]1CCCCN1c1cc[nH+]c(N(C)C)n1 ZINC000085432133 644441154 /nfs/dbraw/zinc/44/11/54/644441154.db2.gz ZILGEQIQOOKMCQ-LLVKDONJSA-N 2 1 249.362 1.121 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1N(C)C ZINC000251841022 644827164 /nfs/dbraw/zinc/82/71/64/644827164.db2.gz QMAYTBQZRTXGIT-CHWSQXEVSA-N 2 1 227.396 1.387 10 0 BDAEMP C[C@@H]1CN(CCCCCC[NH3+])C[C@H]1[NH+](C)C ZINC000251841022 644827165 /nfs/dbraw/zinc/82/71/65/644827165.db2.gz QMAYTBQZRTXGIT-CHWSQXEVSA-N 2 1 227.396 1.387 10 0 BDAEMP [NH3+][C@H](CC(F)F)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000310082249 711708146 /nfs/dbraw/zinc/70/81/46/711708146.db2.gz KIJGZKYHWGIFKV-GHMZBOCLSA-N 2 1 247.333 1.139 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@@H]1[NH3+] ZINC000709695127 712215950 /nfs/dbraw/zinc/21/59/50/712215950.db2.gz BYHNRJXVVNKKOP-UTUOFQBUSA-N 2 1 240.391 1.859 10 0 BDAEMP C[C@@H]1C[NH+](C[C@@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC000700404562 711992525 /nfs/dbraw/zinc/99/25/25/711992525.db2.gz QKLAJFSSKXNBER-JHJVBQTASA-N 2 1 226.364 1.485 10 0 BDAEMP Cc1ccccc1OCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708841595 712200831 /nfs/dbraw/zinc/20/08/31/712200831.db2.gz UFHSLZLURUIKSD-UONOGXRCSA-N 2 1 248.370 1.900 10 0 BDAEMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1[nH+]cnc3[nH]ccc31)C2 ZINC000709820799 712228765 /nfs/dbraw/zinc/22/87/65/712228765.db2.gz VGTSFVVVRXATPU-GUBZILKMSA-N 2 1 243.314 1.274 10 0 BDAEMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1[nH+]cnc3[nH]ccc31)C2 ZINC000709820797 712228849 /nfs/dbraw/zinc/22/88/49/712228849.db2.gz VGTSFVVVRXATPU-AEJSXWLSSA-N 2 1 243.314 1.274 10 0 BDAEMP COC1CC(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000709849261 712229869 /nfs/dbraw/zinc/22/98/69/712229869.db2.gz NSBQTRIWCRLVKB-RUXDESIVSA-N 2 1 238.375 1.487 10 0 BDAEMP CCC1([NH3+])CC[NH+]([C@H](C)c2cnn(C)c2)CC1 ZINC000714757641 712497671 /nfs/dbraw/zinc/49/76/71/712497671.db2.gz JCVZLURSEJNJKD-LLVKDONJSA-N 2 1 236.363 1.684 10 0 BDAEMP [NH3+][C@H]1C[C@@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000715124522 712510889 /nfs/dbraw/zinc/51/08/89/712510889.db2.gz BNUWJBGLTVETCL-DTORHVGOSA-N 2 1 216.288 1.712 10 0 BDAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12CCCOCC2 ZINC000685953930 538898641 /nfs/dbraw/zinc/89/86/41/538898641.db2.gz JPMRAJZMKVSZMO-NWDGAFQWSA-N 2 1 212.337 1.367 10 0 BDAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955184 538900588 /nfs/dbraw/zinc/90/05/88/538900588.db2.gz VRJQPRHZDHCKMB-KXNHARMFSA-N 2 1 212.337 1.366 10 0 BDAEMP CCc1cccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965723 538912374 /nfs/dbraw/zinc/91/23/74/538912374.db2.gz QADZDZMSSONZEY-STQMWFEESA-N 2 1 204.317 1.653 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000685965714 538912658 /nfs/dbraw/zinc/91/26/58/538912658.db2.gz PVSUGRKRGOEANZ-GHMZBOCLSA-N 2 1 210.708 1.744 10 0 BDAEMP Cc1cc(Cn2c[nH+]c(C)c2C)oc1C[NH3+] 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1.305 10 0 BDAEMP [NH3+]CCCCC[N@@H+](CCO)Cc1ccccc1 ZINC000050514233 343162219 /nfs/dbraw/zinc/16/22/19/343162219.db2.gz KGOLLNXBHYSVBJ-UHFFFAOYSA-N 2 1 236.359 1.610 10 0 BDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1nccn1C ZINC000247243950 343377252 /nfs/dbraw/zinc/37/72/52/343377252.db2.gz NFVFNAIXKHFLJT-NEPJUHHUSA-N 2 1 234.347 1.089 10 0 BDAEMP COC[C@]12C[N@H+](CC[NH3+])C[C@H]1CCCC2 ZINC000409428579 343804091 /nfs/dbraw/zinc/80/40/91/343804091.db2.gz GSMRAJKGWCETMD-NEPJUHHUSA-N 2 1 212.337 1.084 10 0 BDAEMP COC[C@]12C[N@@H+](CC[NH3+])C[C@H]1CCCC2 ZINC000409428579 343804093 /nfs/dbraw/zinc/80/40/93/343804093.db2.gz GSMRAJKGWCETMD-NEPJUHHUSA-N 2 1 212.337 1.084 10 0 BDAEMP COC[C@@]12C[N@H+](CC[NH3+])C[C@@H]1CCCC2 ZINC000409428582 343804232 /nfs/dbraw/zinc/80/42/32/343804232.db2.gz GSMRAJKGWCETMD-NWDGAFQWSA-N 2 1 212.337 1.084 10 0 BDAEMP COC[C@@]12C[N@@H+](CC[NH3+])C[C@@H]1CCCC2 ZINC000409428582 343804234 /nfs/dbraw/zinc/80/42/34/343804234.db2.gz GSMRAJKGWCETMD-NWDGAFQWSA-N 2 1 212.337 1.084 10 0 BDAEMP COC[C@]12C[N@@H+](CCC[NH3+])C[C@H]1CCCC2 ZINC000409435567 343834170 /nfs/dbraw/zinc/83/41/70/343834170.db2.gz VLJFTZXUAKUAJC-OLZOCXBDSA-N 2 1 226.364 1.474 10 0 BDAEMP [NH3+]CCC[N@H+]1C[C@H](CO)[C@H](c2ccccc2)C1 ZINC000409435972 343836604 /nfs/dbraw/zinc/83/66/04/343836604.db2.gz XMZWHHLUMFVWQA-KGLIPLIRSA-N 2 1 234.343 1.043 10 0 BDAEMP C1=CC[N@H+](CC[C@H]2CSCC[NH2+]2)CC1 ZINC000166125004 344742556 /nfs/dbraw/zinc/74/25/56/344742556.db2.gz BYGUNHNGBNAJHY-NSHDSACASA-N 2 1 212.362 1.343 10 0 BDAEMP C1=CC[N@@H+](CC[C@H]2CSCC[NH2+]2)CC1 ZINC000166125004 344742558 /nfs/dbraw/zinc/74/25/58/344742558.db2.gz BYGUNHNGBNAJHY-NSHDSACASA-N 2 1 212.362 1.343 10 0 BDAEMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C/C=C/Cl ZINC000235341886 344890443 /nfs/dbraw/zinc/89/04/43/344890443.db2.gz VWBJVPDQUNRBJV-AEJJFCSLSA-N 2 1 202.729 1.669 10 0 BDAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C/C=C/Cl ZINC000235341886 344890444 /nfs/dbraw/zinc/89/04/44/344890444.db2.gz VWBJVPDQUNRBJV-AEJJFCSLSA-N 2 1 202.729 1.669 10 0 BDAEMP C[C@H]1C[N@H+](C2CCSCC2)C[C@@H]1[NH3+] ZINC000235640454 344961408 /nfs/dbraw/zinc/96/14/08/344961408.db2.gz LQBKOHAIGIWYFC-WPRPVWTQSA-N 2 1 200.351 1.161 10 0 BDAEMP C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000248140314 345053512 /nfs/dbraw/zinc/05/35/12/345053512.db2.gz TVCKUIRPRSAEMK-ZIAGYGMSSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000248140314 345053518 /nfs/dbraw/zinc/05/35/18/345053518.db2.gz TVCKUIRPRSAEMK-ZIAGYGMSSA-N 2 1 234.343 1.089 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)CC12CC(C1)C[NH2+]2 ZINC000634992355 345180431 /nfs/dbraw/zinc/18/04/31/345180431.db2.gz MDIIGBPIAYWUCS-ROKHWSDSSA-N 2 1 237.391 1.155 10 0 BDAEMP C[C@H](C[N@H+]1CCS[C@@H](C)C1)C1C[NH2+]C1 ZINC000129829218 345263307 /nfs/dbraw/zinc/26/33/07/345263307.db2.gz LMVBMUFPZSXZRZ-ZJUUUORDSA-N 2 1 214.378 1.279 10 0 BDAEMP C[C@H](CC[NH3+])Nc1cc[nH+]cc1Br ZINC000160031722 345788850 /nfs/dbraw/zinc/78/88/50/345788850.db2.gz UTJNSXZCCGVGRA-SSDOTTSWSA-N 2 1 244.136 1.993 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378414 537965997 /nfs/dbraw/zinc/96/59/97/537965997.db2.gz DMZJLPXVXFRWJC-UPJWGTAASA-N 2 1 225.380 1.045 10 0 BDAEMP Cc1cccc(C[N@@H+]2CCC[NH2+][C@@H](C)CC2)n1 ZINC000051577669 179073979 /nfs/dbraw/zinc/07/39/79/179073979.db2.gz QCFPSGDCERYOPT-LBPRGKRZSA-N 2 1 233.359 1.964 10 0 BDAEMP Cc1cccc(C[N@H+]2CCC[NH2+][C@@H](C)CC2)n1 ZINC000051577669 179073980 /nfs/dbraw/zinc/07/39/80/179073980.db2.gz QCFPSGDCERYOPT-LBPRGKRZSA-N 2 1 233.359 1.964 10 0 BDAEMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000051576630 179078391 /nfs/dbraw/zinc/07/83/91/179078391.db2.gz KFCUSVLWUGXAFV-NWDGAFQWSA-N 2 1 219.332 1.702 10 0 BDAEMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000051576630 179078394 /nfs/dbraw/zinc/07/83/94/179078394.db2.gz KFCUSVLWUGXAFV-NWDGAFQWSA-N 2 1 219.332 1.702 10 0 BDAEMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000051576628 179082711 /nfs/dbraw/zinc/08/27/11/179082711.db2.gz KFCUSVLWUGXAFV-RYUDHWBXSA-N 2 1 219.332 1.702 10 0 BDAEMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000051576628 179082712 /nfs/dbraw/zinc/08/27/12/179082712.db2.gz KFCUSVLWUGXAFV-RYUDHWBXSA-N 2 1 219.332 1.702 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCC(=O)C2)C1 ZINC000250753414 362818219 /nfs/dbraw/zinc/81/82/19/362818219.db2.gz PLYGCIDNRQOYQJ-MNOVXSKESA-N 2 1 210.321 1.039 10 0 BDAEMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000251339537 362863710 /nfs/dbraw/zinc/86/37/10/362863710.db2.gz PYMSZAOTZIIHEV-QWRGUYRKSA-N 2 1 214.378 1.553 10 0 BDAEMP CCSC1(C[NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000596651348 348606254 /nfs/dbraw/zinc/60/62/54/348606254.db2.gz NENRMWYPAOWHFG-VIFPVBQESA-N 2 1 200.351 1.224 10 0 BDAEMP COc1ccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1 ZINC000250607604 538020132 /nfs/dbraw/zinc/02/01/32/538020132.db2.gz LSCGLSNJHNUZCK-YPMHNXCESA-N 2 1 220.316 1.789 10 0 BDAEMP COc1ccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1 ZINC000250607604 538020139 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10 0 BDAEMP CC(C)[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000375839892 188252380 /nfs/dbraw/zinc/25/23/80/188252380.db2.gz JUWXEGFOQLUDBK-QWRGUYRKSA-N 2 1 207.321 1.832 10 0 BDAEMP C(C[NH+]1CCCCCCC1)[NH2+]C[C@@H]1CCOC1 ZINC000053373778 188300078 /nfs/dbraw/zinc/30/00/78/188300078.db2.gz ZEBMAVMNKGWDRT-AWEZNQCLSA-N 2 1 240.391 1.879 10 0 BDAEMP [NH3+]Cc1ccccc1C[N@H+]1CCCOCC1 ZINC000061914885 188302617 /nfs/dbraw/zinc/30/26/17/188302617.db2.gz MHCDSGOQVFFRQG-UHFFFAOYSA-N 2 1 220.316 1.368 10 0 BDAEMP Cc1cc(N)c[nH+]c1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071188549 188305466 /nfs/dbraw/zinc/30/54/66/188305466.db2.gz GUKMBBNPMFMPSG-NSHDSACASA-N 2 1 234.347 1.360 10 0 BDAEMP Cc1cc(N)c[nH+]c1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071188549 188305467 /nfs/dbraw/zinc/30/54/67/188305467.db2.gz GUKMBBNPMFMPSG-NSHDSACASA-N 2 1 234.347 1.360 10 0 BDAEMP C[N@H+]1CCC[C@@H](CNC2=[NH+]CCCS2)C1 ZINC000044538296 188326376 /nfs/dbraw/zinc/32/63/76/188326376.db2.gz FXPQYMINNYZHQK-JTQLQIEISA-N 2 1 227.377 1.411 10 0 BDAEMP CC[C@H](CC[NH3+])[N@H+]1CCCO[C@H](C)C1 ZINC000061914811 188360201 /nfs/dbraw/zinc/36/02/01/188360201.db2.gz MXOFMHBPQCGZOW-GHMZBOCLSA-N 2 1 200.326 1.225 10 0 BDAEMP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000577946710 366124832 /nfs/dbraw/zinc/12/48/32/366124832.db2.gz FZONCHJMYRBGGE-OLZOCXBDSA-N 2 1 233.359 1.868 10 0 BDAEMP C[C@]1(C[NH3+])CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000420242907 192184274 /nfs/dbraw/zinc/18/42/74/192184274.db2.gz NMPSWYUGHCHSBT-GFCCVEGCSA-N 2 1 231.303 1.133 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059684 538485086 /nfs/dbraw/zinc/48/50/86/538485086.db2.gz UERZXALTOQTKPN-HNNXBMFYSA-N 2 1 248.370 1.706 10 0 BDAEMP [NH3+][C@@H]1C=C(C[C@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675078840 538515820 /nfs/dbraw/zinc/51/58/20/538515820.db2.gz URNNAOKQCKSRIQ-NXEZZACHSA-N 2 1 216.275 1.669 10 0 BDAEMP Cc1cc(C)cc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685945870 538886872 /nfs/dbraw/zinc/88/68/72/538886872.db2.gz CYNDZIVRLDWZLB-OLZOCXBDSA-N 2 1 204.317 1.708 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000685945802 538886949 /nfs/dbraw/zinc/88/69/49/538886949.db2.gz BFDIPAVCMBFFLE-STQMWFEESA-N 2 1 220.316 1.490 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1C ZINC000685945820 538887333 /nfs/dbraw/zinc/88/73/33/538887333.db2.gz BQERXUYRJXPKFE-DGCLKSJQSA-N 2 1 220.316 1.408 10 0 BDAEMP CCOc1ccccc1[C@H]([NH3+])CC[NH2+]C ZINC000685947836 538889456 /nfs/dbraw/zinc/88/94/56/538889456.db2.gz RPICCYUAMMGGFQ-LLVKDONJSA-N 2 1 208.305 1.695 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCCSCC1 ZINC000685950552 538893989 /nfs/dbraw/zinc/89/39/89/538893989.db2.gz BARYPZGQTZXZRA-GHMZBOCLSA-N 2 1 228.405 1.669 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C[C@H](C)O1 ZINC000685950960 538894393 /nfs/dbraw/zinc/89/43/93/538894393.db2.gz JRXAFXCGPCZSIK-CXYFJQCHSA-N 2 1 226.364 1.340 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C[C@H](C)O1 ZINC000685950960 538894394 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ZINC000306251924 359465723 /nfs/dbraw/zinc/46/57/23/359465723.db2.gz LUHIELHUZKWVPR-UHFFFAOYSA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CCSC2)CCC[NH2+]1 ZINC000231423571 360335651 /nfs/dbraw/zinc/33/56/51/360335651.db2.gz KFJLVRPQAFXIBD-NXEZZACHSA-N 2 1 200.351 1.176 10 0 BDAEMP CC(C)C[C@@H]([NH3+])CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094440677 360308225 /nfs/dbraw/zinc/30/82/25/360308225.db2.gz NSRZJTPUUCNZHM-ZIAGYGMSSA-N 2 1 239.407 1.530 10 0 BDAEMP CSC1CC[NH+]([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000300838963 360532209 /nfs/dbraw/zinc/53/22/09/360532209.db2.gz LUVICCCHZDZAKD-MNOVXSKESA-N 2 1 214.378 1.694 10 0 BDAEMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309813470 491157096 /nfs/dbraw/zinc/15/70/96/491157096.db2.gz UTSHNKRRTPXIKR-MNOVXSKESA-N 2 1 219.332 1.976 10 0 BDAEMP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309996827 491159693 /nfs/dbraw/zinc/15/96/93/491159693.db2.gz CIGHJFSJRBIPDA-VXGBXAGGSA-N 2 1 228.380 1.467 10 0 BDAEMP [NH3+]C1CC[NH+]([C@H]2CCCCCC2=O)CC1 ZINC000062749604 181344447 /nfs/dbraw/zinc/34/44/47/181344447.db2.gz VQRRPYSUKJPBKA-NSHDSACASA-N 2 1 210.321 1.311 10 0 BDAEMP CO[C@H]1C[N@@H+](CCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356696 364077583 /nfs/dbraw/zinc/07/75/83/364077583.db2.gz TVWSCADFCNKHTD-VXGBXAGGSA-N 2 1 214.353 1.471 10 0 BDAEMP CO[C@H]1C[N@@H+](CC2CC(C)(C)C2)[C@@](C)(C[NH3+])C1 ZINC000630366298 364086210 /nfs/dbraw/zinc/08/62/10/364086210.db2.gz KALHALIMQXGIER-TZMCWYRMSA-N 2 1 240.391 1.861 10 0 BDAEMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000576209061 365522168 /nfs/dbraw/zinc/52/21/68/365522168.db2.gz OJKYJZPVXVLEMT-AGIUHOORSA-N 3 1 227.396 1.304 10 0 BDAEMP C[C@H](c1cnn(C)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383344888 367615593 /nfs/dbraw/zinc/61/55/93/367615593.db2.gz LZPSEKJTXGGVNZ-NQBHXWOUSA-N 2 1 236.363 1.398 10 0 BDAEMP Cc1nnsc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000384268875 367680232 /nfs/dbraw/zinc/68/02/32/367680232.db2.gz RANWQUABLHVIKD-IUCAKERBSA-N 2 1 226.349 1.206 10 0 BDAEMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000384268879 367680482 /nfs/dbraw/zinc/68/04/82/367680482.db2.gz RANWQUABLHVIKD-RKDXNWHRSA-N 2 1 226.349 1.206 10 0 BDAEMP CC(C)COCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838665 369120115 /nfs/dbraw/zinc/12/01/15/369120115.db2.gz SMWIZYVRIVSOGD-NEPJUHHUSA-N 2 1 214.353 1.186 10 0 BDAEMP Cc1cccnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837902 372630394 /nfs/dbraw/zinc/63/03/94/372630394.db2.gz GWVZTWXXGJBIBZ-NEPJUHHUSA-N 2 1 219.332 1.417 10 0 BDAEMP COc1cccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838942 372634592 /nfs/dbraw/zinc/63/45/92/372634592.db2.gz XHXREPUQNAOPIU-AAEUAGOBSA-N 2 1 234.343 1.722 10 0 BDAEMP Cc1ncsc1CC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840331 372635634 /nfs/dbraw/zinc/63/56/34/372635634.db2.gz RMXGIDPUNDRNSU-KOLCDFICSA-N 2 1 239.388 1.521 10 0 BDAEMP O=C1NCC[C@H]1[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000328685592 183025919 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/nfs/dbraw/zinc/28/34/47/169283447.db2.gz PSNFSOTYRUOTQR-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP CCC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000037645100 169291664 /nfs/dbraw/zinc/29/16/64/169291664.db2.gz AJSRIUROGIGLSA-KGLIPLIRSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000221432247 134324119 /nfs/dbraw/zinc/32/41/19/134324119.db2.gz WHTVQZKFMLVFOV-OLZOCXBDSA-N 2 1 226.364 1.175 10 0 BDAEMP CC[N@H+]([C@H]1CCCC1=O)C1CC[NH2+]CC1 ZINC000050157749 383944602 /nfs/dbraw/zinc/94/46/02/383944602.db2.gz BGOUGMPNVDVGTO-NSHDSACASA-N 2 1 210.321 1.182 10 0 BDAEMP CC[N@@H+]([C@H]1CCCC1=O)C1CC[NH2+]CC1 ZINC000050157749 383944607 /nfs/dbraw/zinc/94/46/07/383944607.db2.gz BGOUGMPNVDVGTO-NSHDSACASA-N 2 1 210.321 1.182 10 0 BDAEMP [NH3+]C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000089223886 383951965 /nfs/dbraw/zinc/95/19/65/383951965.db2.gz RHCUYMJXJPFWAA-SECBINFHSA-N 2 1 231.303 1.133 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@@H]3C([NH3+])[C@@H]3C2)cc1 ZINC000074082569 384274527 /nfs/dbraw/zinc/27/45/27/384274527.db2.gz SGOHAKLJRYWYME-FUNVUKJBSA-N 2 1 218.300 1.084 10 0 BDAEMP COc1ccc(C[N@@H+]2C[C@@H]3C([NH3+])[C@@H]3C2)cc1 ZINC000074082569 384274529 /nfs/dbraw/zinc/27/45/29/384274529.db2.gz SGOHAKLJRYWYME-FUNVUKJBSA-N 2 1 218.300 1.084 10 0 BDAEMP [NH3+][C@H](CCO)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095077234 384352851 /nfs/dbraw/zinc/35/28/51/384352851.db2.gz PYWOWVDBIHYQJK-HUUCEWRRSA-N 2 1 248.370 1.608 10 0 BDAEMP FC1(F)CCCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000335662168 384466595 /nfs/dbraw/zinc/46/65/95/384466595.db2.gz ITTWREWQLMOMAF-UWVGGRQHSA-N 2 1 218.291 1.763 10 0 BDAEMP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335662167 384468483 /nfs/dbraw/zinc/46/84/83/384468483.db2.gz ITTWREWQLMOMAF-NXEZZACHSA-N 2 1 218.291 1.763 10 0 BDAEMP C[C@H](CC[NH3+])Nc1[nH]c2ccccc2[nH+]1 ZINC000308953025 384487367 /nfs/dbraw/zinc/48/73/67/384487367.db2.gz YGFIPWNIOOUAEX-MRVPVSSYSA-N 2 1 204.277 1.712 10 0 BDAEMP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000336745699 384583523 /nfs/dbraw/zinc/58/35/23/384583523.db2.gz VXAIFECSCHPYJQ-AGIUHOORSA-N 2 1 228.380 1.467 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@H+](C2CCSCC2)C1 ZINC000050245539 384608954 /nfs/dbraw/zinc/60/89/54/384608954.db2.gz QAFCTUSMHXOKLU-VIFPVBQESA-N 2 1 200.351 1.163 10 0 BDAEMP c1[nH+]c(C2CC[NH2+]CC2)n2c1CCCC2 ZINC000082931244 384728174 /nfs/dbraw/zinc/72/81/74/384728174.db2.gz IHYHCFBFUDFOCY-UHFFFAOYSA-N 2 1 205.305 1.686 10 0 BDAEMP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)nc1C ZINC000313931202 384722724 /nfs/dbraw/zinc/72/27/24/384722724.db2.gz MRKLFMABISZUFU-UHFFFAOYSA-N 2 1 219.332 1.540 10 0 BDAEMP COC[C@H](C)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368438279 384953581 /nfs/dbraw/zinc/95/35/81/384953581.db2.gz KJGDQWBJNPARKD-WDEREUQCSA-N 2 1 223.320 1.070 10 0 BDAEMP C[C@H](CCCC[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000310390426 385028798 /nfs/dbraw/zinc/02/87/98/385028798.db2.gz ITXTVYVOVHSUJK-SNVBAGLBSA-N 2 1 237.351 1.472 10 0 BDAEMP CCOC[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000409428967 385328575 /nfs/dbraw/zinc/32/85/75/385328575.db2.gz NKLIPFPYZMEGRL-LBPRGKRZSA-N 2 1 212.337 1.239 10 0 BDAEMP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000231354551 385796552 /nfs/dbraw/zinc/79/65/52/385796552.db2.gz NKJBHGKTTHVRFF-JTQLQIEISA-N 2 1 237.372 1.717 10 0 BDAEMP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000231354551 385796558 /nfs/dbraw/zinc/79/65/58/385796558.db2.gz NKJBHGKTTHVRFF-JTQLQIEISA-N 2 1 237.372 1.717 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]12 ZINC000309405458 386007811 /nfs/dbraw/zinc/00/78/11/386007811.db2.gz VWBOUHQPOBLXMQ-MROQNXINSA-N 2 1 224.348 1.225 10 0 BDAEMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000336729544 386123676 /nfs/dbraw/zinc/12/36/76/386123676.db2.gz HSTJEERMKIKPGD-DGCLKSJQSA-N 2 1 228.380 1.467 10 0 BDAEMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000336729544 386123682 /nfs/dbraw/zinc/12/36/82/386123682.db2.gz HSTJEERMKIKPGD-DGCLKSJQSA-N 2 1 228.380 1.467 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCS2)[C@@H]1C ZINC000575585803 386287357 /nfs/dbraw/zinc/28/73/57/386287357.db2.gz XMJQOFIOHQIRLF-OPRDCNLKSA-N 2 1 200.351 1.032 10 0 BDAEMP C[NH+](C)C[C@H]1CC[N@@H+](CC2(O)CCCC2)C1 ZINC000336666433 386294318 /nfs/dbraw/zinc/29/43/18/386294318.db2.gz GGBZFZRKLREURN-GFCCVEGCSA-N 2 1 226.364 1.175 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCSC2)[C@H]1C ZINC000575582760 387060977 /nfs/dbraw/zinc/06/09/77/387060977.db2.gz HPQJJGYVZZTTQK-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCSC2)[C@H]1C ZINC000575582760 387060979 /nfs/dbraw/zinc/06/09/79/387060979.db2.gz HPQJJGYVZZTTQK-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000400578352 387136766 /nfs/dbraw/zinc/13/67/66/387136766.db2.gz PRVYCXAZVJTPIO-SRVKXCTJSA-N 2 1 225.380 1.057 10 0 BDAEMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000400578352 387136774 /nfs/dbraw/zinc/13/67/74/387136774.db2.gz PRVYCXAZVJTPIO-SRVKXCTJSA-N 2 1 225.380 1.057 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000575601545 387360097 /nfs/dbraw/zinc/36/00/97/387360097.db2.gz HKRGHGVKRMLJMQ-XQQFMLRXSA-N 2 1 225.380 1.330 10 0 BDAEMP CCN1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC000575601545 387360098 /nfs/dbraw/zinc/36/00/98/387360098.db2.gz HKRGHGVKRMLJMQ-XQQFMLRXSA-N 2 1 225.380 1.330 10 0 BDAEMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[C@@H]1O ZINC000352669587 387432221 /nfs/dbraw/zinc/43/22/21/387432221.db2.gz BBJDJFMQACOZJA-RDBSUJKOSA-N 2 1 240.391 1.706 10 0 BDAEMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[C@@H]1O ZINC000352669587 387432226 /nfs/dbraw/zinc/43/22/26/387432226.db2.gz BBJDJFMQACOZJA-RDBSUJKOSA-N 2 1 240.391 1.706 10 0 BDAEMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCC[C@@H]1O ZINC000352669587 387432232 /nfs/dbraw/zinc/43/22/32/387432232.db2.gz BBJDJFMQACOZJA-RDBSUJKOSA-N 2 1 240.391 1.706 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@H]1CCCSCC1 ZINC000575513656 387386815 /nfs/dbraw/zinc/38/68/15/387386815.db2.gz DRKRHAOHQPLIMA-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@H]1CCCSCC1 ZINC000575513656 387386818 /nfs/dbraw/zinc/38/68/18/387386818.db2.gz DRKRHAOHQPLIMA-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H](C)[C@H]1[NH3+] ZINC000575526852 387530523 /nfs/dbraw/zinc/53/05/23/387530523.db2.gz ZSEOENUUHBVPGT-LNVBCAAZSA-N 2 1 202.729 1.654 10 0 BDAEMP C[C@@H]1C[N@H+](C/C=C/Cl)C[C@H](C)[C@H]1[NH3+] ZINC000575526852 387530524 /nfs/dbraw/zinc/53/05/24/387530524.db2.gz ZSEOENUUHBVPGT-LNVBCAAZSA-N 2 1 202.729 1.654 10 0 BDAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](C2CSC2)[C@H]1C ZINC000575565181 387728462 /nfs/dbraw/zinc/72/84/62/387728462.db2.gz GFUHQETXYAVSIY-NRPADANISA-N 2 1 200.351 1.159 10 0 BDAEMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccncc3)C[C@@H]2C1 ZINC000193613625 387860598 /nfs/dbraw/zinc/86/05/98/387860598.db2.gz MNVDXESEWPWAHR-OKILXGFUSA-N 2 1 231.343 1.118 10 0 BDAEMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccncc3)C[C@@H]2C1 ZINC000193613625 387860601 /nfs/dbraw/zinc/86/06/01/387860601.db2.gz MNVDXESEWPWAHR-OKILXGFUSA-N 2 1 231.343 1.118 10 0 BDAEMP C[C@@H]1CS[C@](C)([C@H]2CCC[NH2+]C2)[NH2+]1 ZINC000575518235 388355354 /nfs/dbraw/zinc/35/53/54/388355354.db2.gz RJTGZRDOQQLQQD-KXUCPTDWSA-N 2 1 200.351 1.427 10 0 BDAEMP C[C@H](C[C@H](C)[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000165731939 388410346 /nfs/dbraw/zinc/41/03/46/388410346.db2.gz ZTJJLXWWAVVRHG-DTWKUNHWSA-N 2 1 223.324 1.080 10 0 BDAEMP CC(C)C1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000339518664 388485467 /nfs/dbraw/zinc/48/54/67/388485467.db2.gz YELMKBFYRSNTSO-LBPRGKRZSA-N 2 1 226.364 1.220 10 0 BDAEMP CC(C)C1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000339518664 388485470 /nfs/dbraw/zinc/48/54/70/388485470.db2.gz YELMKBFYRSNTSO-LBPRGKRZSA-N 2 1 226.364 1.220 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]CC1CCOCC1)C2 ZINC000328656946 388739310 /nfs/dbraw/zinc/73/93/10/388739310.db2.gz ZVKBSRXMQXPFBC-CYBMUJFWSA-N 2 1 249.358 1.462 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000250721347 388700898 /nfs/dbraw/zinc/70/08/98/388700898.db2.gz IHKBPCQCLHTOOZ-NEPJUHHUSA-N 2 1 205.305 1.294 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000250721347 388700900 /nfs/dbraw/zinc/70/09/00/388700900.db2.gz IHKBPCQCLHTOOZ-NEPJUHHUSA-N 2 1 205.305 1.294 10 0 BDAEMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564824414 388891382 /nfs/dbraw/zinc/89/13/82/388891382.db2.gz NAGPEIMCRHBBGC-KGLIPLIRSA-N 3 1 239.407 1.450 10 0 BDAEMP C[C@@H](NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400318148 533392640 /nfs/dbraw/zinc/39/26/40/533392640.db2.gz AULDSAYYCLLPOH-CHWSQXEVSA-N 2 1 239.407 1.448 10 0 BDAEMP Cc1ccc(N2CC[NH+](C[C@H](C)C[NH3+])CC2)nc1 ZINC000037039513 132343367 /nfs/dbraw/zinc/34/33/67/132343367.db2.gz MCXVEDBAJFNUFG-CYBMUJFWSA-N 2 1 248.374 1.107 10 0 BDAEMP Cc1ccc(N2C[C@@H](C[NH3+])CC[C@@H]2C)[nH+]c1 ZINC000053704270 132363141 /nfs/dbraw/zinc/36/31/41/132363141.db2.gz OBZCMVQYEVSPCB-NWDGAFQWSA-N 2 1 219.332 1.954 10 0 BDAEMP CC[NH+](CC)CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179290695 134319141 /nfs/dbraw/zinc/31/91/41/134319141.db2.gz OPORHNWTCAUFJS-CYBMUJFWSA-N 2 1 225.380 1.108 10 0 BDAEMP CC(C)OCC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261538071 135175292 /nfs/dbraw/zinc/17/52/92/135175292.db2.gz XIVQDYAECOXKIM-LLVKDONJSA-N 2 1 214.353 1.471 10 0 BDAEMP CCc1nc(N2CC[C@@H](C)C[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000261563046 135205631 /nfs/dbraw/zinc/20/56/31/135205631.db2.gz GTMAGNZVKKXALO-PWSUYJOCSA-N 2 1 248.374 1.911 10 0 BDAEMP CC(C)COCC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261576628 135217764 /nfs/dbraw/zinc/21/77/64/135217764.db2.gz KLOHFBKKVPSMTA-LBPRGKRZSA-N 2 1 228.380 1.718 10 0 BDAEMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261582401 135223049 /nfs/dbraw/zinc/22/30/49/135223049.db2.gz RDQUMQPTINBFQJ-HLTSFMKQSA-N 2 1 248.330 1.243 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1[C@H]1CCS[C@H]1C ZINC000575592407 397990861 /nfs/dbraw/zinc/99/08/61/397990861.db2.gz RLPISWKGEPOMSZ-XKNYDFJKSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])C[N@H+]1[C@H]1CCS[C@H]1C ZINC000575592407 397990863 /nfs/dbraw/zinc/99/08/63/397990863.db2.gz RLPISWKGEPOMSZ-XKNYDFJKSA-N 2 1 200.351 1.302 10 0 BDAEMP Clc1c[nH+]ccc1NCC[NH2+]C1CC1 ZINC000086839822 487562476 /nfs/dbraw/zinc/56/24/76/487562476.db2.gz RZMICPWPEBKNTK-UHFFFAOYSA-N 2 1 211.696 1.899 10 0 BDAEMP CC(C)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000306300622 487608093 /nfs/dbraw/zinc/60/80/93/487608093.db2.gz HQJFQLRRLRDYEF-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000306300622 487608096 /nfs/dbraw/zinc/60/80/96/487608096.db2.gz HQJFQLRRLRDYEF-WDEREUQCSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H](C[NH+](C)C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000054243589 167395845 /nfs/dbraw/zinc/39/58/45/167395845.db2.gz JEECUTQFMMOFFM-ZIAGYGMSSA-N 2 1 241.423 1.504 10 0 BDAEMP CC(C)[C@@H](CN(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243589 167395846 /nfs/dbraw/zinc/39/58/46/167395846.db2.gz JEECUTQFMMOFFM-ZIAGYGMSSA-N 2 1 241.423 1.504 10 0 BDAEMP CC(C)[C@@H](CN(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243589 167395850 /nfs/dbraw/zinc/39/58/50/167395850.db2.gz JEECUTQFMMOFFM-ZIAGYGMSSA-N 2 1 241.423 1.504 10 0 BDAEMP Cc1cc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)nc(C)[nH+]1 ZINC000310976062 411304233 /nfs/dbraw/zinc/30/42/33/411304233.db2.gz IZZPUEGCDTUIMK-JSGCOSHPSA-N 2 1 246.358 1.659 10 0 BDAEMP CN(C)[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000062965962 411334228 /nfs/dbraw/zinc/33/42/28/411334228.db2.gz AKOIYMAUESWPIC-CYBMUJFWSA-N 2 1 225.380 1.012 10 0 BDAEMP CCC(C)(C)[NH2+]C[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000053487759 168298671 /nfs/dbraw/zinc/29/86/71/168298671.db2.gz GWDMLNQJMKYABX-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[NH2+]CC1(C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182182 170110218 /nfs/dbraw/zinc/11/02/18/170110218.db2.gz DZOFWJNSHFLJRV-CYBMUJFWSA-N 2 1 240.391 1.735 10 0 BDAEMP CC[NH2+]CC1CCN(c2[nH+]ccn2CC)CC1 ZINC000053664488 170112192 /nfs/dbraw/zinc/11/21/92/170112192.db2.gz RSFDCDVCXLDFIQ-UHFFFAOYSA-N 2 1 236.363 1.729 10 0 BDAEMP CC[NH2+]CC[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515485 170116496 /nfs/dbraw/zinc/11/64/96/170116496.db2.gz OSKUBLPEGOMVJD-CYBMUJFWSA-N 2 1 241.423 1.648 10 0 BDAEMP CC[NH2+]C[C@H]1CCN(C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000053031365 170122465 /nfs/dbraw/zinc/12/24/65/170122465.db2.gz LBMDMFAZHLXNME-ZIAGYGMSSA-N 2 1 239.407 1.260 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+]1CCCC[C@@H]1CO ZINC000053877173 170151713 /nfs/dbraw/zinc/15/17/13/170151713.db2.gz GZJUWNKFJJDCKU-BFHYXJOUSA-N 2 1 240.391 1.611 10 0 BDAEMP CC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCCOCC1 ZINC000061934632 170166440 /nfs/dbraw/zinc/16/64/40/170166440.db2.gz CLUXPCCXNMIUCY-STQMWFEESA-N 2 1 226.364 1.487 10 0 BDAEMP CC[NH2+][C@H]1CCOC[C@H]1n1c[nH+]c(C)c1C ZINC000051926706 170169173 /nfs/dbraw/zinc/16/91/73/170169173.db2.gz YCQNITPYFOKHGG-NWDGAFQWSA-N 2 1 223.320 1.439 10 0 BDAEMP CCOC1CC[NH+]([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000040689308 170332817 /nfs/dbraw/zinc/33/28/17/170332817.db2.gz VHXCRSYSYGZXKK-NWDGAFQWSA-N 2 1 212.337 1.367 10 0 BDAEMP CCOCC[N@@H+](CC)C(CC)(CC)C[NH3+] ZINC000050092467 170395184 /nfs/dbraw/zinc/39/51/84/170395184.db2.gz CITUUNFQFZUYNR-UHFFFAOYSA-N 2 1 216.369 1.862 10 0 BDAEMP C[N@@H+](CCO[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662265477 412057614 /nfs/dbraw/zinc/05/76/14/412057614.db2.gz CADYXFSCVOETNJ-MNOVXSKESA-N 2 1 248.317 1.485 10 0 BDAEMP CC[C@@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)CCN1C ZINC000104354337 171076554 /nfs/dbraw/zinc/07/65/54/171076554.db2.gz JQDMTYOGGIQGBS-CYBMUJFWSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[C@H](C)C[N@H+]1CCC[C@H](C[NH2+]CCOC)C1 ZINC000053658793 171281082 /nfs/dbraw/zinc/28/10/82/171281082.db2.gz XSPILYUAKKEUHF-UONOGXRCSA-N 2 1 242.407 1.981 10 0 BDAEMP CC[C@H](C)[N@@H+](CCOC)Cc1ccoc1C[NH3+] ZINC000052547318 171314916 /nfs/dbraw/zinc/31/49/16/171314916.db2.gz PMGURIKHLMLZFH-NSHDSACASA-N 2 1 240.347 1.985 10 0 BDAEMP C[C@H]1CC[C@@H](Nc2cc[nH+]c(N(C)C)n2)C[NH2+]1 ZINC000630533814 412261029 /nfs/dbraw/zinc/26/10/29/412261029.db2.gz RRDLMAVVMCSHLW-VHSXEESVSA-N 2 1 235.335 1.095 10 0 BDAEMP Clc1c[nH+]ccc1NCC12CC(C1)C[NH2+]2 ZINC000663275283 412405134 /nfs/dbraw/zinc/40/51/34/412405134.db2.gz UWNIJXQFBUQMIF-UHFFFAOYSA-N 2 1 223.707 1.321 10 0 BDAEMP CC(C)[C@H]([NH3+])CCNc1[nH+]cnc2[nH]ccc21 ZINC000663276400 412406486 /nfs/dbraw/zinc/40/64/86/412406486.db2.gz WABSYZICPZNDED-SNVBAGLBSA-N 2 1 233.319 1.743 10 0 BDAEMP CCc1nnc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000104140779 172047672 /nfs/dbraw/zinc/04/76/72/172047672.db2.gz SPRSILPDNBLSBZ-SECBINFHSA-N 2 1 238.335 1.191 10 0 BDAEMP CCn1cc[nH+]c1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000050614252 172227431 /nfs/dbraw/zinc/22/74/31/172227431.db2.gz AMYVEECCZZLRAG-VXGBXAGGSA-N 2 1 234.347 1.942 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CN1CCC[NH2+]CCC1 ZINC000044564243 173008102 /nfs/dbraw/zinc/00/81/02/173008102.db2.gz LMYVQQRHCLJFGD-ZDUSSCGKSA-N 2 1 225.380 1.156 10 0 BDAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CCCO ZINC000305660230 173027027 /nfs/dbraw/zinc/02/70/27/173027027.db2.gz XTJQPJFJUIRLEF-KGLIPLIRSA-N 2 1 240.391 1.708 10 0 BDAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CCCO ZINC000305660230 173027030 /nfs/dbraw/zinc/02/70/30/173027030.db2.gz XTJQPJFJUIRLEF-KGLIPLIRSA-N 2 1 240.391 1.708 10 0 BDAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CCCO ZINC000305660230 173027033 /nfs/dbraw/zinc/02/70/33/173027033.db2.gz XTJQPJFJUIRLEF-KGLIPLIRSA-N 2 1 240.391 1.708 10 0 BDAEMP CN(C)c1cc[nH+]cc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000054240946 173041183 /nfs/dbraw/zinc/04/11/83/173041183.db2.gz RCSZHTLNPOFPTQ-GFCCVEGCSA-N 2 1 248.374 1.901 10 0 BDAEMP C[N@H+]1CCC[C@H](C[NH2+]C2(CO)CCCC2)C1 ZINC000054243955 173042808 /nfs/dbraw/zinc/04/28/08/173042808.db2.gz QJNMKUBKTKCHRB-GFCCVEGCSA-N 2 1 226.364 1.223 10 0 BDAEMP CN1CCC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000053245397 173043312 /nfs/dbraw/zinc/04/33/12/173043312.db2.gz GZDGCZABBKXUMN-ZDUSSCGKSA-N 2 1 225.380 1.012 10 0 BDAEMP CN([C@H]1CCC[N@@H+](C)C1)C1(C[NH3+])CCCC1 ZINC000053206365 173043812 /nfs/dbraw/zinc/04/38/12/173043812.db2.gz QPTRDPKPSPBRLL-LBPRGKRZSA-N 2 1 225.380 1.284 10 0 BDAEMP C[N@H+]1CCC[C@H](Nc2cc(N)cc[nH+]2)C1 ZINC000043569041 173046573 /nfs/dbraw/zinc/04/65/73/173046573.db2.gz KQRBLWCIABTRDB-JTQLQIEISA-N 2 1 206.293 1.170 10 0 BDAEMP C[NH+]1CCC[C@H]1CC(=O)C[C@H]1CCC[N@@H+]1C ZINC000000968237 173051291 /nfs/dbraw/zinc/05/12/91/173051291.db2.gz ZEBIACKKLGVLFZ-TXEJJXNPSA-N 2 1 224.348 1.524 10 0 endogenous,in-man BDAEMP C[NH+]1CCC[C@@H]1CC(=O)C[C@@H]1CCC[N@@H+]1C ZINC000000968237 173051294 /nfs/dbraw/zinc/05/12/94/173051294.db2.gz ZEBIACKKLGVLFZ-TXEJJXNPSA-N 2 1 224.348 1.524 10 0 endogenous,in-man BDAEMP C[NH+]1CCC[C@@H]1CC(=O)C[C@@H]1CCC[N@H+]1C ZINC000000968237 173051297 /nfs/dbraw/zinc/05/12/97/173051297.db2.gz ZEBIACKKLGVLFZ-TXEJJXNPSA-N 2 1 224.348 1.524 10 0 endogenous,in-man BDAEMP CN1CC[N@@H+](CCCC[NH2+]C2CC2)CC1(C)C ZINC000104131404 173079780 /nfs/dbraw/zinc/07/97/80/173079780.db2.gz JVVFQUNEAHDKQL-UHFFFAOYSA-N 2 1 239.407 1.545 10 0 BDAEMP C[NH+]1CCN(C[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000053861669 173085610 /nfs/dbraw/zinc/08/56/10/173085610.db2.gz ULIGJCBISDVBBF-QWHCGFSZSA-N 2 1 225.380 1.141 10 0 BDAEMP C[N@H+]1CC[C@@H](CNC[C@@H]2CCCC[NH+]2C)C1 ZINC000054242803 173114650 /nfs/dbraw/zinc/11/46/50/173114650.db2.gz ZFRNHSWXLFXSFQ-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH+]1CC[C@@H](CNC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000054242803 173114653 /nfs/dbraw/zinc/11/46/53/173114653.db2.gz ZFRNHSWXLFXSFQ-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH+]1CC[C@@H](CNC[C@@H]2CCCC[N@H+]2C)C1 ZINC000054242803 173114656 /nfs/dbraw/zinc/11/46/56/173114656.db2.gz ZFRNHSWXLFXSFQ-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP CN1CCCC[C@H]1C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000054242803 173114657 /nfs/dbraw/zinc/11/46/57/173114657.db2.gz ZFRNHSWXLFXSFQ-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP CN1CCCC[C@H]1C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000054242803 173114660 /nfs/dbraw/zinc/11/46/60/173114660.db2.gz ZFRNHSWXLFXSFQ-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484657 173117514 /nfs/dbraw/zinc/11/75/14/173117514.db2.gz XMHYPQQLDKYWSH-JTQLQIEISA-N 2 1 210.346 1.789 10 0 BDAEMP C[N@H+]1CC[C@@H](NCC[C@@H]2CCCC[NH+]2C)C1 ZINC000052205875 173123042 /nfs/dbraw/zinc/12/30/42/173123042.db2.gz GBUSRENRHXZMSQ-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP C[NH+]1CC[C@@H](NCC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000052205875 173123043 /nfs/dbraw/zinc/12/30/43/173123043.db2.gz GBUSRENRHXZMSQ-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP C[NH+]1CC[C@@H](NCC[C@@H]2CCCC[N@H+]2C)C1 ZINC000052205875 173123045 /nfs/dbraw/zinc/12/30/45/173123045.db2.gz GBUSRENRHXZMSQ-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP CN1CC[C@@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000052205875 173123046 /nfs/dbraw/zinc/12/30/46/173123046.db2.gz GBUSRENRHXZMSQ-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP CN1CC[C@@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000052205875 173123048 /nfs/dbraw/zinc/12/30/48/173123048.db2.gz GBUSRENRHXZMSQ-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CC[NH+](C)C1 ZINC000156019694 173143811 /nfs/dbraw/zinc/14/38/11/173143811.db2.gz JYLRGWZQWNELMO-ZDUSSCGKSA-N 2 1 234.343 1.776 10 0 BDAEMP C[N@H+](Cc1cccc(O)c1)C[C@H]1CC[NH+](C)C1 ZINC000156019694 173143814 /nfs/dbraw/zinc/14/38/14/173143814.db2.gz JYLRGWZQWNELMO-ZDUSSCGKSA-N 2 1 234.343 1.776 10 0 BDAEMP C[NH+](Cc1cccc(O)c1)C[C@H]1CC[N@H+](C)C1 ZINC000156019694 173143816 /nfs/dbraw/zinc/14/38/16/173143816.db2.gz JYLRGWZQWNELMO-ZDUSSCGKSA-N 2 1 234.343 1.776 10 0 BDAEMP C[NH+](Cc1cccc(O)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000156019694 173143818 /nfs/dbraw/zinc/14/38/18/173143818.db2.gz JYLRGWZQWNELMO-ZDUSSCGKSA-N 2 1 234.343 1.776 10 0 BDAEMP C[N@H+]1C[C@H]2C[NH2+]C[C@@H]2[C@@H]1c1ccccc1 ZINC000071373449 173200468 /nfs/dbraw/zinc/20/04/68/173200468.db2.gz LEIAGDQCKRSLTQ-AGIUHOORSA-N 2 1 202.301 1.509 10 0 BDAEMP Cn1ccnc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000051923942 173206954 /nfs/dbraw/zinc/20/69/54/173206954.db2.gz PYELOVUXXWOBEB-YHWZYXNKSA-N 2 1 248.374 1.383 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054629072 173324319 /nfs/dbraw/zinc/32/43/19/173324319.db2.gz RGCMSPFTRQCBMV-CHEQUFIKSA-N 2 1 249.402 1.438 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN(C2CC2)C1 ZINC000054629072 173324320 /nfs/dbraw/zinc/32/43/20/173324320.db2.gz RGCMSPFTRQCBMV-CHEQUFIKSA-N 2 1 249.402 1.438 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C2CC2)C1 ZINC000054629072 173324321 /nfs/dbraw/zinc/32/43/21/173324321.db2.gz RGCMSPFTRQCBMV-CHEQUFIKSA-N 2 1 249.402 1.438 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182205 173337329 /nfs/dbraw/zinc/33/73/29/173337329.db2.gz FVUWHMIHOPMHJL-GFCCVEGCSA-N 2 1 226.364 1.344 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180464 173337509 /nfs/dbraw/zinc/33/75/09/173337509.db2.gz XCCBMCOCWKGERK-LBPRGKRZSA-N 2 1 226.364 1.487 10 0 BDAEMP C[NH2+]CCOCCc1ccc2nc(C)[nH]c2c1 ZINC000077366798 173357069 /nfs/dbraw/zinc/35/70/69/173357069.db2.gz IRNOFBVOBXWVLR-UHFFFAOYSA-N 2 1 233.315 1.650 10 0 BDAEMP C[NH2+]CC[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543469 173358579 /nfs/dbraw/zinc/35/85/79/173358579.db2.gz DVJKYUWEIHSFGQ-WDEREUQCSA-N 2 1 214.353 1.484 10 0 BDAEMP C[NH2+]CC[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543469 173358580 /nfs/dbraw/zinc/35/85/80/173358580.db2.gz DVJKYUWEIHSFGQ-WDEREUQCSA-N 2 1 214.353 1.484 10 0 BDAEMP C[NH2+]C[C@@H]1C[N@@H+](C2CCCCCC2)CCO1 ZINC000071532960 173371405 /nfs/dbraw/zinc/37/14/05/173371405.db2.gz QYXILABFVYLXDL-CYBMUJFWSA-N 2 1 226.364 1.629 10 0 BDAEMP C[NH2+]C[C@@H]1C[N@H+](C2CCCCCC2)CCO1 ZINC000071532960 173371406 /nfs/dbraw/zinc/37/14/06/173371406.db2.gz QYXILABFVYLXDL-CYBMUJFWSA-N 2 1 226.364 1.629 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@@H+](C)C2CCCCC2)CCOC1 ZINC000051213210 173373245 /nfs/dbraw/zinc/37/32/45/173373245.db2.gz UNUSWYBGSQDWEW-CQSZACIVSA-N 2 1 240.391 1.877 10 0 BDAEMP C[NH2+]Cc1cc(Cn2cc[nH+]c2C)oc1C ZINC000052576072 173386996 /nfs/dbraw/zinc/38/69/96/173386996.db2.gz SCBKYWFYCAYFCH-UHFFFAOYSA-N 2 1 219.288 1.861 10 0 BDAEMP C[NH2+]Cc1ccoc1CN1CC[N@@H+](C)[C@H](C)C1 ZINC000104132394 173391280 /nfs/dbraw/zinc/39/12/80/173391280.db2.gz ZFXKGYINNOBASY-LLVKDONJSA-N 2 1 237.347 1.135 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)[C@H]1CCSC1 ZINC000052453157 173391679 /nfs/dbraw/zinc/39/16/79/173391679.db2.gz XKNXONNCCXQLDF-NSHDSACASA-N 2 1 240.372 1.936 10 0 BDAEMP C[NH2+]Cc1coc(C[N@H+]2CCCSCC2)c1 ZINC000052371104 173393483 /nfs/dbraw/zinc/39/34/83/173393483.db2.gz VCQUISSPJSZJNR-UHFFFAOYSA-N 2 1 240.372 1.938 10 0 BDAEMP COCCC[N@H+]1CCC[NH2+][C@H](C)CC1 ZINC000049665795 174229136 /nfs/dbraw/zinc/22/91/36/174229136.db2.gz IFFBBJFVFTZXDA-LLVKDONJSA-N 2 1 200.326 1.097 10 0 BDAEMP COCC[N@@H+](Cc1ccccc1C[NH3+])C1CC1 ZINC000042517589 174300020 /nfs/dbraw/zinc/30/00/20/174300020.db2.gz XGMSEYQNJDABEK-UHFFFAOYSA-N 2 1 234.343 1.756 10 0 BDAEMP COCC[NH2+]CCCC[N@@H+](C)C[C@H]1CCCO1 ZINC000053499647 174332554 /nfs/dbraw/zinc/33/25/54/174332554.db2.gz ZGNZKENMJRCOTR-CYBMUJFWSA-N 2 1 244.379 1.113 10 0 BDAEMP COCC[NH2+][C@]1(CN)CCCc2ccccc21 ZINC000053255907 174341129 /nfs/dbraw/zinc/34/11/29/174341129.db2.gz GMSQSINTYIAMDD-AWEZNQCLSA-N 2 1 234.343 1.413 10 0 BDAEMP COc1cc2[nH+]c(CCC[NH3+])n(C)c2cc1OC ZINC000011567876 175028359 /nfs/dbraw/zinc/02/83/59/175028359.db2.gz PRVMTFXPPWYISZ-UHFFFAOYSA-N 2 1 249.314 1.482 10 0 BDAEMP COc1ccc(Cl)cc1C[NH2+]CCC[NH3+] ZINC000038051614 175120362 /nfs/dbraw/zinc/12/03/62/175120362.db2.gz LBQDXYUEBJDZSQ-UHFFFAOYSA-N 2 1 228.723 1.787 10 0 BDAEMP COc1cccc(C[C@@H]2C[N@@H+](C)CC[C@@H]2[NH3+])c1 ZINC000022130090 175271916 /nfs/dbraw/zinc/27/19/16/175271916.db2.gz BBMMDMHFHHAQRZ-OCCSQVGLSA-N 2 1 234.343 1.517 10 0 BDAEMP COc1cccc([C@H](C[NH3+])n2cc[nH+]c2C)c1 ZINC000043028772 175294209 /nfs/dbraw/zinc/29/42/09/175294209.db2.gz GJCWRKPLTQONTM-ZDUSSCGKSA-N 2 1 231.299 1.748 10 0 BDAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])o2)C1 ZINC000052381297 176100774 /nfs/dbraw/zinc/10/07/74/176100774.db2.gz FCDYJTPOSZFOEK-SNVBAGLBSA-N 2 1 208.305 1.970 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@]2(C[NH3+])CCSC2)C1 ZINC000040717266 176180670 /nfs/dbraw/zinc/18/06/70/176180670.db2.gz QDWJCWZVZIOOBA-ZJUUUORDSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@]2(C[NH3+])CCSC2)C1 ZINC000040717266 176180672 /nfs/dbraw/zinc/18/06/72/176180672.db2.gz QDWJCWZVZIOOBA-ZJUUUORDSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1C[NH+](CC(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000051209630 176284082 /nfs/dbraw/zinc/28/40/82/176284082.db2.gz RVMJFDFLPKYDOR-NXEZZACHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000309762593 176341432 /nfs/dbraw/zinc/34/14/32/176341432.db2.gz JAKRGUOAUNOXFS-KGYLQXTDSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@H]1CC[N@@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000044390349 177161598 /nfs/dbraw/zinc/16/15/98/177161598.db2.gz UZSFNKMCGHFZOH-ZDUSSCGKSA-N 2 1 233.359 1.698 10 0 BDAEMP C[C@@H](CC[NH+](C)C)[N@@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049667814 177170710 /nfs/dbraw/zinc/17/07/10/177170710.db2.gz YVWOYNALESRIQK-RDBSUJKOSA-N 3 1 241.423 1.647 10 0 BDAEMP C[C@@H](CC[NH+](C)C)[N@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049667814 177170711 /nfs/dbraw/zinc/17/07/11/177170711.db2.gz YVWOYNALESRIQK-RDBSUJKOSA-N 3 1 241.423 1.647 10 0 BDAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CC1CCOCC1 ZINC000052173160 177200505 /nfs/dbraw/zinc/20/05/05/177200505.db2.gz FOCBECLADCKFDF-WCQYABFASA-N 2 1 226.364 1.472 10 0 BDAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccn1 ZINC000042427381 177200730 /nfs/dbraw/zinc/20/07/30/177200730.db2.gz TYSYXCHVNLVYRH-NWDGAFQWSA-N 2 1 219.332 1.641 10 0 BDAEMP 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224.270 1.870 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+](CCC(F)(F)F)C1 ZINC000063101196 177281685 /nfs/dbraw/zinc/28/16/85/177281685.db2.gz GTZBSCKLILWNNQ-VIFPVBQESA-N 2 1 224.270 1.870 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+](CCc2ccco2)C1 ZINC000049667386 177281844 /nfs/dbraw/zinc/28/18/44/177281844.db2.gz USYHIMCKIABXLF-LBPRGKRZSA-N 2 1 222.332 1.754 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CCc2cccnc2)C1 ZINC000049666870 177285755 /nfs/dbraw/zinc/28/57/55/177285755.db2.gz FQRSGEUEXURTQU-OKILXGFUSA-N 2 1 247.386 1.802 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CCC[NH+](C)C)C1 ZINC000049666112 177285844 /nfs/dbraw/zinc/28/58/44/177285844.db2.gz TZAAJXWAVDMJRU-BETUJISGSA-N 3 1 227.396 1.116 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CCC[NH+](C)C)C1 ZINC000049666112 177285845 /nfs/dbraw/zinc/28/58/45/177285845.db2.gz TZAAJXWAVDMJRU-BETUJISGSA-N 3 1 227.396 1.116 10 0 BDAEMP C[C@H]1COCC[N@@H+]1CC1(C[NH3+])CCCCC1 ZINC000051216748 177291360 /nfs/dbraw/zinc/29/13/60/177291360.db2.gz 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ZINC000757132652 582508009 /nfs/dbraw/zinc/50/80/09/582508009.db2.gz RPUHSDKTTIIYPQ-BFHYXJOUSA-N 2 1 240.391 1.733 10 0 BDAEMP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400350988 528204773 /nfs/dbraw/zinc/20/47/73/528204773.db2.gz MPUWWYQRONRKPP-OLZOCXBDSA-N 3 1 239.407 1.448 10 0 BDAEMP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)N(C)C ZINC000400350163 528532849 /nfs/dbraw/zinc/53/28/49/528532849.db2.gz JRFYCFGKHUAAIM-MGPQQGTHSA-N 2 1 241.423 1.550 10 0 BDAEMP CC(C)[N@@H+](C)CCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400425271 528819143 /nfs/dbraw/zinc/81/91/43/528819143.db2.gz YITXVUWVORYLEW-OLZOCXBDSA-N 2 1 227.396 1.304 10 0 BDAEMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400425271 528819148 /nfs/dbraw/zinc/81/91/48/528819148.db2.gz YITXVUWVORYLEW-OLZOCXBDSA-N 3 1 227.396 1.304 10 0 BDAEMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400425271 528819153 /nfs/dbraw/zinc/81/91/53/528819153.db2.gz YITXVUWVORYLEW-OLZOCXBDSA-N 3 1 227.396 1.304 10 0 BDAEMP CCc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000234156038 536147816 /nfs/dbraw/zinc/14/78/16/536147816.db2.gz FGIJBMOROSHGLO-ZWNOBZJWSA-N 2 1 248.374 1.911 10 0 BDAEMP C[N@@H+](CCC[NH+]1CCCC1)CC1CC(O)C1 ZINC000084454011 536346342 /nfs/dbraw/zinc/34/63/42/536346342.db2.gz UZIKUASOSOPVEM-UHFFFAOYSA-N 2 1 226.364 1.175 10 0 BDAEMP COCC[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757128142 582502619 /nfs/dbraw/zinc/50/26/19/582502619.db2.gz IYJPTKYWGGZPFC-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP COCC[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757128142 582502621 /nfs/dbraw/zinc/50/26/21/582502621.db2.gz IYJPTKYWGGZPFC-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757134137 582510456 /nfs/dbraw/zinc/51/04/56/582510456.db2.gz KQHHRJIHZVBRSZ-NEPJUHHUSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@]2(CCC[N@H+]2CC2CC2)C1 ZINC000757135108 582514057 /nfs/dbraw/zinc/51/40/57/582514057.db2.gz YVOWYHYXNWAPAQ-AAEUAGOBSA-N 2 1 208.349 1.860 10 0 BDAEMP CC1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398971784 583168765 /nfs/dbraw/zinc/16/87/65/583168765.db2.gz WQXZYRTXBCITKC-ZDUSSCGKSA-N 2 1 240.391 1.611 10 0 BDAEMP CC1(C)CC2(CC(C)(C)[NH2+]1)[NH2+]CCCO2 ZINC000757138960 586427892 /nfs/dbraw/zinc/42/78/92/586427892.db2.gz AJANKLKOMOMROE-UHFFFAOYSA-N 2 1 212.337 1.633 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1cccc(N)c1 ZINC000757208646 586437888 /nfs/dbraw/zinc/43/78/88/586437888.db2.gz AKIQZIONGWSEJP-JFUSQASVSA-N 2 1 205.305 1.267 10 0 BDAEMP C[C@@H]1C[C@H](c2cccc(C[NH3+])c2)[NH2+]C[C@H]1[NH3+] ZINC000757212885 586439211 /nfs/dbraw/zinc/43/92/11/586439211.db2.gz KBIVQXCNRHYYNX-OASPWFOLSA-N 3 1 219.332 1.143 10 0 BDAEMP Nc1cccc([C@@H]2CC[NH2+][C@@H](C[NH3+])C2)c1 ZINC000757213371 586439220 /nfs/dbraw/zinc/43/92/20/586439220.db2.gz JRUBCPXZXHHPHJ-ZYHUDNBSSA-N 2 1 205.305 1.063 10 0 BDAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000299933490 634401879 /nfs/dbraw/zinc/40/18/79/634401879.db2.gz GPMYQYDMYDTXTA-MJBXVCDLSA-N 2 1 237.391 1.297 10 0 BDAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccoc1)C2 ZINC000309632276 632593099 /nfs/dbraw/zinc/59/30/99/632593099.db2.gz RKZKIULHPUJWAG-LLVKDONJSA-N 2 1 217.272 1.581 10 0 BDAEMP C[N@@H+](C[C@@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000055144506 640439688 /nfs/dbraw/zinc/43/96/88/640439688.db2.gz CBAZZQNXYFQMAJ-MCIGGMRASA-N 2 1 212.337 1.367 10 0 BDAEMP Cc1cc(NCC[NH+]2CCC([NH3+])CC2)cc[nH+]1 ZINC000321382555 644128810 /nfs/dbraw/zinc/12/88/10/644128810.db2.gz PRTSMJFVMJKOMR-UHFFFAOYSA-N 3 1 234.347 1.225 10 0 BDAEMP CO[C@@H]1C[N@@H+](CCCC2CC2)[C@](C)(C[NH3+])C1 ZINC000708977108 712205361 /nfs/dbraw/zinc/20/53/61/712205361.db2.gz KEUBOKWTSOPINN-STQMWFEESA-N 2 1 226.364 1.615 10 0 BDAEMP CC1(C)C[NH2+]C[C@@H]1Nc1cc[nH+]cc1Cl ZINC000721923655 710692632 /nfs/dbraw/zinc/69/26/32/710692632.db2.gz AYDDVWJIENODOC-JTQLQIEISA-N 2 1 225.723 1.567 10 0 BDAEMP C[N@@H+](C[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000051253023 711636807 /nfs/dbraw/zinc/63/68/07/711636807.db2.gz YOCKBBWSSMATTH-JTQLQIEISA-N 2 1 200.326 1.082 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257650262 711723379 /nfs/dbraw/zinc/72/33/79/711723379.db2.gz DBDUZJNHHDIYFS-QWHCGFSZSA-N 2 1 224.348 1.241 10 0 BDAEMP C[C@H]1C[N@@H+](CCSC(F)(F)F)C[C@H]1C[NH3+] ZINC000708862196 712201047 /nfs/dbraw/zinc/20/10/47/712201047.db2.gz NLCMCBPIMONZPK-JGVFFNPUSA-N 2 1 242.310 1.766 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708851914 712201188 /nfs/dbraw/zinc/20/11/88/712201188.db2.gz FNTZBVDBVXLVLR-WOPDTQHZSA-N 2 1 226.364 1.328 10 0 BDAEMP O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000709854872 712230179 /nfs/dbraw/zinc/23/01/79/712230179.db2.gz QFCNBJQOOYRHPL-RDBSUJKOSA-N 2 1 238.375 1.221 10 0 BDAEMP C=C/C=C\CC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000713758223 712472000 /nfs/dbraw/zinc/47/20/00/712472000.db2.gz QDXQTAXUFOCJFO-NTQVKLLNSA-N 2 1 224.348 1.557 10 0 BDAEMP C=C/C=C\CC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000713758223 712472002 /nfs/dbraw/zinc/47/20/02/712472002.db2.gz QDXQTAXUFOCJFO-NTQVKLLNSA-N 2 1 224.348 1.557 10 0 BDAEMP COCC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000713953734 712474519 /nfs/dbraw/zinc/47/45/19/712474519.db2.gz RWACTOFEIOCEDQ-YIOUJQMASA-N 2 1 238.375 1.628 10 0 BDAEMP COCC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000713953729 712474715 /nfs/dbraw/zinc/47/47/15/712474715.db2.gz RWACTOFEIOCEDQ-FKZOYECMSA-N 2 1 238.375 1.628 10 0 BDAEMP FC1(F)CCC[C@H]1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000713986494 712476563 /nfs/dbraw/zinc/47/65/63/712476563.db2.gz GZAZJEUUJIQFJE-UWVGGRQHSA-N 2 1 218.291 1.763 10 0 BDAEMP CCC1([NH3+])CCN([C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000714752940 712497179 /nfs/dbraw/zinc/49/71/79/712497179.db2.gz FUOFCJYZTJIJRZ-CHWSQXEVSA-N 2 1 239.407 1.672 10 0 BDAEMP CCC1([NH3+])CCN([C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000714752942 712497199 /nfs/dbraw/zinc/49/71/99/712497199.db2.gz FUOFCJYZTJIJRZ-QWHCGFSZSA-N 2 1 239.407 1.672 10 0 BDAEMP C[C@H]1C[N@@H+](CCCC(C)(F)F)C[C@H]1C[NH3+] ZINC000718608711 712772891 /nfs/dbraw/zinc/77/28/91/712772891.db2.gz PWFRBWCFHIJPEH-VHSXEESVSA-N 2 1 220.307 1.948 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918027 712786858 /nfs/dbraw/zinc/78/68/58/712786858.db2.gz WKONPCWSXLHUSO-RDBSUJKOSA-N 2 1 238.375 1.629 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]12 ZINC000719833993 712824069 /nfs/dbraw/zinc/82/40/69/712824069.db2.gz UPPTZLDTZFQZHU-YUSALJHKSA-N 2 1 237.372 1.355 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CCNc1[nH+]cnc2[nH]ccc21 ZINC000721112573 712891475 /nfs/dbraw/zinc/89/14/75/712891475.db2.gz HHYJHNUFCIALLM-NXEZZACHSA-N 2 1 245.330 1.567 10 0 BDAEMP C[C@H](CC[NH3+])[NH+]=c1[nH]c2ccccc2n1C ZINC000336651002 398140108 /nfs/dbraw/zinc/14/01/08/398140108.db2.gz HTHSNZLIRFYFDL-SECBINFHSA-N 2 1 218.304 1.144 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000685965422 538911962 /nfs/dbraw/zinc/91/19/62/538911962.db2.gz CWYYCDSGKSLAQA-WDEREUQCSA-N 2 1 210.708 1.744 10 0 BDAEMP COc1cc(F)cc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685965408 538912122 /nfs/dbraw/zinc/91/21/22/538912122.db2.gz CNGIMDZQZDIPOE-NWDGAFQWSA-N 2 1 224.279 1.239 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C2CC2)cc1 ZINC000685965730 538912526 /nfs/dbraw/zinc/91/25/26/538912526.db2.gz QGNXEQZWGVTAJX-ZIAGYGMSSA-N 2 1 216.328 1.968 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1C1CC1 ZINC000685965621 538912582 /nfs/dbraw/zinc/91/25/82/538912582.db2.gz LQKPQHUTAAIGON-KGLIPLIRSA-N 2 1 216.328 1.968 10 0 BDAEMP Cc1cc(C[N@@H+]2CC[C@H](C)C2)oc1C[NH3+] ZINC000052484518 178002337 /nfs/dbraw/zinc/00/23/37/178002337.db2.gz MSBPVSZOTSSOSX-VIFPVBQESA-N 2 1 208.305 1.889 10 0 BDAEMP C[C@@H]([NH3+])[C@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000307515455 398174051 /nfs/dbraw/zinc/17/40/51/398174051.db2.gz MTMIRPQAXSJKSL-BBBLOLIVSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H]1CCSCC[N@H+]1CC1C[NH2+]C1 ZINC000306643036 361775909 /nfs/dbraw/zinc/77/59/09/361775909.db2.gz VOPHJHJPYFBIOO-VIFPVBQESA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000390441465 539021420 /nfs/dbraw/zinc/02/14/20/539021420.db2.gz VRNHBXFMCWGAIV-UTUOFQBUSA-N 2 1 219.332 1.691 10 0 BDAEMP [NH3+]C/C=C1\CC[N@@H+](Cc2ccccc2)C1 ZINC000214924367 342919732 /nfs/dbraw/zinc/91/97/32/342919732.db2.gz APDCWTQURUEFOP-AWNIVKPZSA-N 2 1 202.301 1.777 10 0 BDAEMP C[C@H]([NH3+])[C@@H]([NH+]1CCSCC1)C(C)(C)C ZINC000043291934 343037449 /nfs/dbraw/zinc/03/74/49/343037449.db2.gz LQTSIOVIYHHEFU-VHSXEESVSA-N 2 1 216.394 1.797 10 0 BDAEMP C[C@H](Cc1c[nH]c2ccccc12)[NH2+]CC[NH3+] ZINC000038702231 343107398 /nfs/dbraw/zinc/10/73/98/343107398.db2.gz KHBOONIVGUMXEA-SNVBAGLBSA-N 2 1 217.316 1.647 10 0 BDAEMP CCc1nc(NC[C@@H]([NH3+])CC)cc(C)[nH+]1 ZINC000308924149 346941739 /nfs/dbraw/zinc/94/17/39/346941739.db2.gz LKSSCLXJANGGIN-VIFPVBQESA-N 2 1 208.309 1.497 10 0 BDAEMP [NH3+]CCC[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC000409433108 343826641 /nfs/dbraw/zinc/82/66/41/343826641.db2.gz XJCCDWVBOGRTHB-BDAKNGLRSA-N 2 1 204.264 1.312 10 0 BDAEMP [NH3+]CCC[N@H+]1C[C@@H](CO)[C@@H](c2ccccc2)C1 ZINC000409435973 343836893 /nfs/dbraw/zinc/83/68/93/343836893.db2.gz XMZWHHLUMFVWQA-UONOGXRCSA-N 2 1 234.343 1.043 10 0 BDAEMP C[C@@H](CC[NH3+])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908131 343944698 /nfs/dbraw/zinc/94/46/98/343944698.db2.gz BIFJZLQQNHZCBM-LPEHRKFASA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1C[C@@H](N)C[N@@H+](C[Si](C)(C)C)C1 ZINC000401868953 343917376 /nfs/dbraw/zinc/91/73/76/343917376.db2.gz VBSWPIJILSGIHJ-NXEZZACHSA-N 2 1 200.402 1.533 10 0 BDAEMP [NH3+]C[C@](F)(C1CC1)[C@H]1CCCCC[NH2+]1 ZINC000158411781 344645541 /nfs/dbraw/zinc/64/55/41/344645541.db2.gz YLFVSPRDXFJRMN-MNOVXSKESA-N 2 1 200.301 1.596 10 0 BDAEMP C[C@H]1SCC[C@@]1(C[NH3+])[NH+]1CCCC1 ZINC000235621656 344959006 /nfs/dbraw/zinc/95/90/06/344959006.db2.gz AAKJVOSNXWLKGZ-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP CCC1CCC(C[NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000037905514 168515124 /nfs/dbraw/zinc/51/51/24/168515124.db2.gz JGDWXBCUNNNNMG-JXQTWKCFSA-N 2 1 242.407 1.715 10 0 BDAEMP CC(C)[N@@H+](C)CCCN[C@H]1CCC[NH2+]CC1 ZINC000226330555 535004924 /nfs/dbraw/zinc/00/49/24/535004924.db2.gz DBJPHMMXLPPTCM-ZDUSSCGKSA-N 2 1 227.396 1.448 10 0 BDAEMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000226330555 535004927 /nfs/dbraw/zinc/00/49/27/535004927.db2.gz DBJPHMMXLPPTCM-ZDUSSCGKSA-N 3 1 227.396 1.448 10 0 BDAEMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000226330555 535004928 /nfs/dbraw/zinc/00/49/28/535004928.db2.gz DBJPHMMXLPPTCM-ZDUSSCGKSA-N 3 1 227.396 1.448 10 0 BDAEMP C[C@@H](C[NH3+])CNc1cc[nH+]cc1Br ZINC000160027415 345787672 /nfs/dbraw/zinc/78/76/72/345787672.db2.gz GNJAGKSWKJSQFO-ZETCQYMHSA-N 2 1 244.136 1.851 10 0 BDAEMP C[C@H](c1cccc2ncccc21)[C@@H]([NH3+])CN ZINC000141796399 345861391 /nfs/dbraw/zinc/86/13/91/345861391.db2.gz WGOAVGXHEPZJMZ-SKDRFNHKSA-N 2 1 215.300 1.624 10 0 BDAEMP COC[C@@H](C)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000300232875 346420628 /nfs/dbraw/zinc/42/06/28/346420628.db2.gz IPGWCSUFAGNMFG-RYUDHWBXSA-N 2 1 214.353 1.343 10 0 BDAEMP COCCC[NH2+][C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000725241368 537979001 /nfs/dbraw/zinc/97/90/01/537979001.db2.gz DXJJSZAFPLDZGD-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCC(=O)C2)C1 ZINC000250753416 362818004 /nfs/dbraw/zinc/81/80/04/362818004.db2.gz PLYGCIDNRQOYQJ-QWRGUYRKSA-N 2 1 210.321 1.039 10 0 BDAEMP C[C@H](CN[C@@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000390644073 259396491 /nfs/dbraw/zinc/39/64/91/259396491.db2.gz LSBYSHRGHQETBZ-UKRRQHHQSA-N 2 1 247.386 1.458 10 0 BDAEMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669538 323177231 /nfs/dbraw/zinc/17/72/31/323177231.db2.gz VUZYGIJQSVIYCB-IHRRRGAJSA-N 2 1 239.407 1.306 10 0 BDAEMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669538 323177232 /nfs/dbraw/zinc/17/72/32/323177232.db2.gz VUZYGIJQSVIYCB-IHRRRGAJSA-N 3 1 239.407 1.306 10 0 BDAEMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669538 323177233 /nfs/dbraw/zinc/17/72/33/323177233.db2.gz VUZYGIJQSVIYCB-IHRRRGAJSA-N 3 1 239.407 1.306 10 0 BDAEMP CN(C)c1cc(CC[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000616580647 349258942 /nfs/dbraw/zinc/25/89/42/349258942.db2.gz YSMJBUZKYIBNFI-LBPRGKRZSA-N 2 1 235.331 1.069 10 0 BDAEMP Cc1nccn1CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000049330236 180260490 /nfs/dbraw/zinc/26/04/90/180260490.db2.gz CAZZULDTTGQSOB-CYBMUJFWSA-N 2 1 248.374 1.265 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000049330236 180260491 /nfs/dbraw/zinc/26/04/91/180260491.db2.gz CAZZULDTTGQSOB-CYBMUJFWSA-N 3 1 248.374 1.265 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000049330236 180260494 /nfs/dbraw/zinc/26/04/94/180260494.db2.gz CAZZULDTTGQSOB-CYBMUJFWSA-N 3 1 248.374 1.265 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]CCc1cccnc1 ZINC000049330195 180260659 /nfs/dbraw/zinc/26/06/59/180260659.db2.gz OVFNQTAPJWEUAA-UHFFFAOYSA-N 2 1 230.315 1.419 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]CC1CCOCC1 ZINC000082544659 180260742 /nfs/dbraw/zinc/26/07/42/180260742.db2.gz GNNBGGHJKCCVCB-UHFFFAOYSA-N 2 1 223.320 1.208 10 0 BDAEMP Cc1[nH+]ccn1Cc1ccccc1C(N)=[NH2+] ZINC000019503916 180269697 /nfs/dbraw/zinc/26/96/97/180269697.db2.gz BWKISYJRBCFCNW-UHFFFAOYSA-N 2 1 214.272 1.524 10 0 BDAEMP C[C@@H]1CCC[N@H+]([C@H]2C[C@@H]([NH3+])C23CCOCC3)C1 ZINC000725264058 538091007 /nfs/dbraw/zinc/09/10/07/538091007.db2.gz BDCJBKHYIISULX-UPJWGTAASA-N 2 1 238.375 1.615 10 0 BDAEMP C(C[NH+]1CCCC1)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000163263848 350513222 /nfs/dbraw/zinc/51/32/22/350513222.db2.gz KHDXVRSNFQJWHY-AWEZNQCLSA-N 2 1 238.375 1.585 10 0 BDAEMP Cc1nn(CCn2cc[nH+]c2C)c(C)c1C[NH3+] ZINC000049331273 180389317 /nfs/dbraw/zinc/38/93/17/180389317.db2.gz RYILPKQNWZWNMY-UHFFFAOYSA-N 2 1 233.319 1.164 10 0 BDAEMP C[C@H](CC[NH3+])[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251801349 350903666 /nfs/dbraw/zinc/90/36/66/350903666.db2.gz XZGDLAJHUMXDCP-ZJUUUORDSA-N 2 1 200.326 1.223 10 0 BDAEMP Nc1[nH+]cccc1[C@@H]1CCCN(CC[NH3+])CC1 ZINC000616628050 351096445 /nfs/dbraw/zinc/09/64/45/351096445.db2.gz LYNNGZRTCRLHQZ-LLVKDONJSA-N 2 1 234.347 1.192 10 0 BDAEMP C[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCCCC2=O)C1 ZINC000306831062 351146176 /nfs/dbraw/zinc/14/61/76/351146176.db2.gz JYLUDWZVYNGQDS-CMPLNLGQSA-N 2 1 210.321 1.169 10 0 BDAEMP C[C@]1(C[NH3+])CC[N@H+]([C@H]2CCCCC2=O)C1 ZINC000306831062 351146178 /nfs/dbraw/zinc/14/61/78/351146178.db2.gz JYLUDWZVYNGQDS-CMPLNLGQSA-N 2 1 210.321 1.169 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616664105 351215820 /nfs/dbraw/zinc/21/58/20/351215820.db2.gz NXATYESHYGASAD-ZDUSSCGKSA-N 2 1 220.316 1.236 10 0 BDAEMP C[C@@H]1[C@@H](C)CC[N@H+]1C1(C[NH3+])CSC1 ZINC000306879495 351271429 /nfs/dbraw/zinc/27/14/29/351271429.db2.gz GKCCHKQTCALSEX-DTWKUNHWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1[C@@H](C)CC[N@@H+]1C1(C[NH3+])CSC1 ZINC000306879495 351271431 /nfs/dbraw/zinc/27/14/31/351271431.db2.gz GKCCHKQTCALSEX-DTWKUNHWSA-N 2 1 200.351 1.161 10 0 BDAEMP [NH3+][C@H]1CC[C@@H]([N@@H+]2CCC=C(Cl)C2)C1 ZINC000404396400 351422046 /nfs/dbraw/zinc/42/20/46/351422046.db2.gz PYNOKWWHWIBHLS-VHSXEESVSA-N 2 1 200.713 1.695 10 0 BDAEMP [NH3+][C@H]1CC[C@@H]([N@H+]2CCC=C(Cl)C2)C1 ZINC000404396400 351422051 /nfs/dbraw/zinc/42/20/51/351422051.db2.gz PYNOKWWHWIBHLS-VHSXEESVSA-N 2 1 200.713 1.695 10 0 BDAEMP C[N@H+]1CCCN(C(=[NH2+])NCc2ccccc2)CC1 ZINC000307198529 351599578 /nfs/dbraw/zinc/59/95/78/351599578.db2.gz VHFBUHFXGNLAET-UHFFFAOYSA-N 2 1 246.358 1.348 10 0 BDAEMP CS[C@@H]1CCC[N@H+](C2CC([NH3+])C2)C1 ZINC000307352147 352259152 /nfs/dbraw/zinc/25/91/52/352259152.db2.gz BSEJFKSVHPVXFL-UDNWOFFPSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000300390849 352562101 /nfs/dbraw/zinc/56/21/01/352562101.db2.gz RYSZVOXOMQIFJW-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000300390849 352562103 /nfs/dbraw/zinc/56/21/03/352562103.db2.gz RYSZVOXOMQIFJW-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1CC[N@H+](C2CSC2)C[C@@H]1C[NH3+] ZINC000307552757 352648039 /nfs/dbraw/zinc/64/80/39/352648039.db2.gz CVLRKPDVOFCODL-IUCAKERBSA-N 2 1 200.351 1.019 10 0 BDAEMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1CCN(CC[NH3+])CC1 ZINC000725273882 538105068 /nfs/dbraw/zinc/10/50/68/538105068.db2.gz PUFBTIVFNBPWMY-QWHCGFSZSA-N 2 1 239.407 1.530 10 0 BDAEMP C([NH2+][C@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000232450305 352673415 /nfs/dbraw/zinc/67/34/15/352673415.db2.gz XZRAXUYDBRVMTN-UWVGGRQHSA-N 2 1 200.351 1.224 10 0 BDAEMP CCC[N@@H+](CC)C1CCN(CC[NH3+])CC1 ZINC000725273901 538104964 /nfs/dbraw/zinc/10/49/64/538104964.db2.gz ROVRZAURGVEQPX-UHFFFAOYSA-N 2 1 213.369 1.141 10 0 BDAEMP C[N@@H+](CCC1C[NH2+]C1)Cc1ccccc1 ZINC000129448959 353128694 /nfs/dbraw/zinc/12/86/94/353128694.db2.gz JLSFZQDJTWGPCO-UHFFFAOYSA-N 2 1 204.317 1.728 10 0 BDAEMP C[N@H+](C1CCC1)[C@@]1(C[NH3+])CCSC1 ZINC000127206548 353265071 /nfs/dbraw/zinc/26/50/71/353265071.db2.gz XYMWQHOIHNURTQ-SNVBAGLBSA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@@H+](C1CCC1)[C@@]1(C[NH3+])CCSC1 ZINC000127206548 353265072 /nfs/dbraw/zinc/26/50/72/353265072.db2.gz XYMWQHOIHNURTQ-SNVBAGLBSA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@H+]1CCC[C@@H](CN2CCC[NH2+]CCC2)C1 ZINC000044538729 188296264 /nfs/dbraw/zinc/29/62/64/188296264.db2.gz JRXOSPUZOPCVAM-CYBMUJFWSA-N 2 1 225.380 1.014 10 0 BDAEMP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557806 188298580 /nfs/dbraw/zinc/29/85/80/188298580.db2.gz NLMDVEGOYMEWAH-RYUDHWBXSA-N 2 1 243.395 1.077 10 0 BDAEMP CN([C@H](C[NH3+])C(C)(C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053205482 188300870 /nfs/dbraw/zinc/30/08/70/188300870.db2.gz LHDQTZFXXXWALW-VXGBXAGGSA-N 2 1 227.396 1.386 10 0 BDAEMP CN(CC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053247499 188300900 /nfs/dbraw/zinc/30/09/00/188300900.db2.gz JFFBTIYMEFGAPY-QWHCGFSZSA-N 2 1 225.380 1.155 10 0 BDAEMP CC(C)[C@@](C)(C[NH3+])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940271 188304210 /nfs/dbraw/zinc/30/42/10/188304210.db2.gz WRVGCMNXQVSSLZ-ZIAGYGMSSA-N 2 1 239.407 1.530 10 0 BDAEMP CC(C)[C@H](C)[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192221 188305512 /nfs/dbraw/zinc/30/55/12/188305512.db2.gz GZMOYDWEEOTTNJ-UONOGXRCSA-N 2 1 241.423 1.504 10 0 BDAEMP CC(C)[N@H+]1CC[C@H](CNCCC[NH+](C)C)C1 ZINC000076519191 188309588 /nfs/dbraw/zinc/30/95/88/188309588.db2.gz OJZLMLLGKVOBNW-CYBMUJFWSA-N 2 1 227.396 1.258 10 0 BDAEMP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCC[NH+](C)C)C1 ZINC000076519191 188309589 /nfs/dbraw/zinc/30/95/89/188309589.db2.gz OJZLMLLGKVOBNW-CYBMUJFWSA-N 3 1 227.396 1.258 10 0 BDAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCC[NH+](C)C)C1 ZINC000076519191 188309591 /nfs/dbraw/zinc/30/95/91/188309591.db2.gz OJZLMLLGKVOBNW-CYBMUJFWSA-N 3 1 227.396 1.258 10 0 BDAEMP CC(C)[N@@H+](C)CCN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628590 188354948 /nfs/dbraw/zinc/35/49/48/188354948.db2.gz AAUPFHPYKRQFGJ-YHWZYXNKSA-N 2 1 225.380 1.281 10 0 BDAEMP [NH3+]C[C@H](O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000165906997 358479318 /nfs/dbraw/zinc/47/93/18/358479318.db2.gz MDURQKSFXRKXIR-STQMWFEESA-N 2 1 226.364 1.351 10 0 BDAEMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000414080612 191428233 /nfs/dbraw/zinc/42/82/33/191428233.db2.gz DIFMPAMXTYLJIL-WOPDTQHZSA-N 2 1 228.380 1.323 10 0 BDAEMP NC(=[NH2+])CC[N@@H+](CCc1ccncc1)C1CC1 ZINC000042548137 181186551 /nfs/dbraw/zinc/18/65/51/181186551.db2.gz XGLIHMNCPWUDIX-UHFFFAOYSA-N 2 1 232.331 1.415 10 0 BDAEMP NC(=[NH2+])CC[N@H+]1CCc2ccccc2C1 ZINC000019481377 181187127 /nfs/dbraw/zinc/18/71/27/181187127.db2.gz BURUQNUMCODGCG-UHFFFAOYSA-N 2 1 203.289 1.371 10 0 BDAEMP Cc1ccc(C[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000399225109 355865182 /nfs/dbraw/zinc/86/51/82/355865182.db2.gz MHOQOOOCBMSPLK-UHFFFAOYSA-N 2 1 248.370 1.541 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000420269956 192194914 /nfs/dbraw/zinc/19/49/14/192194914.db2.gz JDMMGBYLEPVWLH-BDAKNGLRSA-N 2 1 231.303 1.497 10 0 BDAEMP [NH3+]CC[C@H](Nc1[nH+]cnc2[nH]ccc21)C(F)F ZINC000420289474 192202194 /nfs/dbraw/zinc/20/21/94/192202194.db2.gz SYEZSNISECBUKA-ZETCQYMHSA-N 2 1 241.245 1.352 10 0 BDAEMP Cc1nccn1CCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000421014928 192302290 /nfs/dbraw/zinc/30/22/90/192302290.db2.gz KUTYERRIHGCYSZ-WCQYABFASA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000421014928 192302291 /nfs/dbraw/zinc/30/22/91/192302291.db2.gz KUTYERRIHGCYSZ-WCQYABFASA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000421014928 192302294 /nfs/dbraw/zinc/30/22/94/192302294.db2.gz KUTYERRIHGCYSZ-WCQYABFASA-N 2 1 237.347 1.427 10 0 BDAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000083288118 538466400 /nfs/dbraw/zinc/46/64/00/538466400.db2.gz FALAUYKCTAIKNT-RYUDHWBXSA-N 2 1 208.280 1.920 10 0 BDAEMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000083288118 538466401 /nfs/dbraw/zinc/46/64/01/538466401.db2.gz FALAUYKCTAIKNT-RYUDHWBXSA-N 2 1 208.280 1.920 10 0 BDAEMP CCC[N@@H+](C)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059734 538485249 /nfs/dbraw/zinc/48/52/49/538485249.db2.gz VZPOTMISCQSLJR-HNNXBMFYSA-N 2 1 248.370 1.708 10 0 BDAEMP COc1cccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000257588455 538737190 /nfs/dbraw/zinc/73/71/90/538737190.db2.gz TVLSUIGXKZKJHQ-YPMHNXCESA-N 2 1 220.316 1.789 10 0 BDAEMP COc1cccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000257588455 538737198 /nfs/dbraw/zinc/73/71/98/538737198.db2.gz TVLSUIGXKZKJHQ-YPMHNXCESA-N 2 1 220.316 1.789 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CC[N@H+](C2CCSCC2)C1 ZINC000160575023 357078228 /nfs/dbraw/zinc/07/82/28/357078228.db2.gz QKFBSPRSRDGYTI-UWVGGRQHSA-N 2 1 214.378 1.551 10 0 BDAEMP [NH3+][C@H]1C[NH2+]CC[C@H]1c1cccc2occc21 ZINC000685946575 538885684 /nfs/dbraw/zinc/88/56/84/538885684.db2.gz AWAJEHKMCVOQDG-JQWIXIFHSA-N 2 1 216.284 1.837 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1C ZINC000685945822 538887014 /nfs/dbraw/zinc/88/70/14/538887014.db2.gz BQERXUYRJXPKFE-YPMHNXCESA-N 2 1 220.316 1.408 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000685945877 538887065 /nfs/dbraw/zinc/88/70/65/538887065.db2.gz DIMLXDSJCSIJRV-STQMWFEESA-N 2 1 204.317 1.789 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000685947057 538888893 /nfs/dbraw/zinc/88/88/93/538888893.db2.gz ZSAIEFIAYQBLSM-QWHCGFSZSA-N 2 1 204.317 1.789 10 0 BDAEMP CCOc1ccc([C@H]2CC[NH2+]C[C@H]2[NH3+])cc1 ZINC000685948585 538891117 /nfs/dbraw/zinc/89/11/17/538891117.db2.gz QRAFEXXOVXNDQE-CHWSQXEVSA-N 2 1 220.316 1.490 10 0 BDAEMP CC[C@@H]1COCC[N@@H+]1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685950618 538893886 /nfs/dbraw/zinc/89/38/86/538893886.db2.gz BRBJKVKNQGHQBQ-SDDRHHMPSA-N 2 1 226.364 1.341 10 0 BDAEMP CC[C@@H]1COCC[N@H+]1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685950618 538893887 /nfs/dbraw/zinc/89/38/87/538893887.db2.gz BRBJKVKNQGHQBQ-SDDRHHMPSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000299979055 358972627 /nfs/dbraw/zinc/97/26/27/358972627.db2.gz RXLVACGMDNXSAR-YPMHNXCESA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000299979055 358972634 /nfs/dbraw/zinc/97/26/34/358972634.db2.gz RXLVACGMDNXSAR-YPMHNXCESA-N 2 1 204.317 1.856 10 0 BDAEMP CC(C)[C@H]([NH3+])CNc1[nH]c2ccccc2[nH+]1 ZINC000070010989 359037749 /nfs/dbraw/zinc/03/77/49/359037749.db2.gz FWXBREARPQHVIY-SECBINFHSA-N 2 1 218.304 1.958 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CCC[NH2+]CC1 ZINC000306229951 359363758 /nfs/dbraw/zinc/36/37/58/359363758.db2.gz KHFQOBTXQCZNFE-ZJUUUORDSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309130491 491145357 /nfs/dbraw/zinc/14/53/57/491145357.db2.gz QXXAVDKTICOXLB-VWYCJHECSA-N 2 1 205.305 1.444 10 0 BDAEMP c1nc2ccccc2n1CCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000094074977 360295394 /nfs/dbraw/zinc/29/53/94/360295394.db2.gz LZXJQRHIFPHSSM-GFCCVEGCSA-N 2 1 244.342 1.378 10 0 BDAEMP Cc1c(C[NH2+]CCC[NH+]2CCCC2)cnn1C ZINC000093649298 360266360 /nfs/dbraw/zinc/26/63/60/360266360.db2.gz UHUYKHKZFYWLQS-UHFFFAOYSA-N 2 1 236.363 1.304 10 0 BDAEMP CC[C@@H]1CS[C@@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 ZINC000306588866 360494111 /nfs/dbraw/zinc/49/41/11/360494111.db2.gz WDMSQGQLTRKRNU-BBBLOLIVSA-N 2 1 200.351 1.427 10 0 BDAEMP O[C@@]1([C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306599391 360521208 /nfs/dbraw/zinc/52/12/08/360521208.db2.gz YMVQPRCIHLYPPQ-CABCVRRESA-N 2 1 246.354 1.375 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000379723343 361359899 /nfs/dbraw/zinc/35/98/99/361359899.db2.gz NHWIOYURZJFRKO-YNEHKIRRSA-N 2 1 240.391 1.610 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000379723343 361359904 /nfs/dbraw/zinc/35/99/04/361359904.db2.gz NHWIOYURZJFRKO-YNEHKIRRSA-N 2 1 240.391 1.610 10 0 BDAEMP C[NH2+]CCOCCNc1[nH+]ccc2ccccc21 ZINC000630527204 364214329 /nfs/dbraw/zinc/21/43/29/364214329.db2.gz KWZXVOFFKRSYLV-UHFFFAOYSA-N 2 1 245.326 1.883 10 0 BDAEMP CCc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000630552335 364246396 /nfs/dbraw/zinc/24/63/96/364246396.db2.gz CYAIBYQSEDVVPQ-GXSJLCMTSA-N 2 1 234.347 1.378 10 0 BDAEMP CCc1nc(N2C[C@H](C)[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000630569964 364266455 /nfs/dbraw/zinc/26/64/55/364266455.db2.gz LFUXLFNZHUTKTN-ONGXEEELSA-N 2 1 234.347 1.378 10 0 BDAEMP CCc1nc(N2C[C@@H](C[NH3+])[C@H](C)C2)cc(C)[nH+]1 ZINC000630569963 364266471 /nfs/dbraw/zinc/26/64/71/364266471.db2.gz LFUXLFNZHUTKTN-MWLCHTKSSA-N 2 1 234.347 1.378 10 0 BDAEMP C[C@@H]1CC[C@H](Nc2cc[nH+]cc2Cl)C[NH2+]1 ZINC000630533875 364226602 /nfs/dbraw/zinc/22/66/02/364226602.db2.gz GRASBVBDWGSNPJ-BDAKNGLRSA-N 2 1 225.723 1.709 10 0 BDAEMP C[C@H]1CC[C@@H](Nc2cc[nH+]cc2Cl)C[NH2+]1 ZINC000630533876 364227430 /nfs/dbraw/zinc/22/74/30/364227430.db2.gz GRASBVBDWGSNPJ-DTWKUNHWSA-N 2 1 225.723 1.709 10 0 BDAEMP [NH3+]CCCCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000062973661 181375557 /nfs/dbraw/zinc/37/55/57/181375557.db2.gz HYJNNRSPRSHFOZ-CQSZACIVSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CCCCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973661 181375558 /nfs/dbraw/zinc/37/55/58/181375558.db2.gz HYJNNRSPRSHFOZ-CQSZACIVSA-N 2 1 239.407 1.676 10 0 BDAEMP CN1CCC([N@H+](C)C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000675054245 541433644 /nfs/dbraw/zinc/43/36/44/541433644.db2.gz PCHNZLWUOPXODY-CYBMUJFWSA-N 2 1 239.407 1.402 10 0 BDAEMP CN1CCC([N@@H+](C)C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000675054245 541433647 /nfs/dbraw/zinc/43/36/47/541433647.db2.gz PCHNZLWUOPXODY-CYBMUJFWSA-N 2 1 239.407 1.402 10 0 BDAEMP [NH3+]CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1C=C[C@H]2CC1 ZINC000072236211 181380748 /nfs/dbraw/zinc/38/07/48/181380748.db2.gz WBGQAEYRFILPQR-YVECIDJPSA-N 2 1 206.333 1.479 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCSC2)C1 ZINC000252786059 368065910 /nfs/dbraw/zinc/06/59/10/368065910.db2.gz PMEOMYDYBCTODR-GUBZILKMSA-N 2 1 200.351 1.161 10 0 BDAEMP Cc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccn1 ZINC000621775216 370521413 /nfs/dbraw/zinc/52/14/13/370521413.db2.gz IVEIOWZYTCHNGU-AWEZNQCLSA-N 2 1 233.359 1.964 10 0 BDAEMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccn1 ZINC000621775216 370521418 /nfs/dbraw/zinc/52/14/18/370521418.db2.gz IVEIOWZYTCHNGU-AWEZNQCLSA-N 2 1 233.359 1.964 10 0 BDAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000390495348 371207743 /nfs/dbraw/zinc/20/77/43/371207743.db2.gz RPEBYVOPWUULRM-WOPDTQHZSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@@H](C[NH3+])C[N@H+]1CCSC(C)(C)C1 ZINC000133276260 372017276 /nfs/dbraw/zinc/01/72/76/372017276.db2.gz FEWVIRLUUBVGRT-VIFPVBQESA-N 2 1 202.367 1.409 10 0 BDAEMP Cc1nocc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836800 372625927 /nfs/dbraw/zinc/62/59/27/372625927.db2.gz HBRXHNLQVOBOFE-WPRPVWTQSA-N 2 1 209.293 1.010 10 0 BDAEMP Cc1nocc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836800 372625932 /nfs/dbraw/zinc/62/59/32/372625932.db2.gz HBRXHNLQVOBOFE-WPRPVWTQSA-N 2 1 209.293 1.010 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631842732 372639950 /nfs/dbraw/zinc/63/99/50/372639950.db2.gz DZZNPDQTGNRQCP-PWSUYJOCSA-N 2 1 222.307 1.852 10 0 BDAEMP CCC(C)(C)[N@H+](C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000068997325 373104427 /nfs/dbraw/zinc/10/44/27/373104427.db2.gz JOQWDPJVWMAHFN-VHSXEESVSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC(C)(C)[N@@H+](C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000068997325 373104435 /nfs/dbraw/zinc/10/44/35/373104435.db2.gz JOQWDPJVWMAHFN-VHSXEESVSA-N 2 1 200.326 1.223 10 0 BDAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCOC(C)(C)C1 ZINC000069892509 373970283 /nfs/dbraw/zinc/97/02/83/373970283.db2.gz AECYPMKJCMHDMX-NSHDSACASA-N 2 1 200.326 1.271 10 0 BDAEMP [NH3+][C@H]1CCCCC[C@H]1[NH+]1CCSCC1 ZINC000040989037 373977278 /nfs/dbraw/zinc/97/72/78/373977278.db2.gz HEGNTSHAFWCHGC-WDEREUQCSA-N 2 1 214.378 1.695 10 0 BDAEMP O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@]12CC[NH2+]C2 ZINC000096964515 183201257 /nfs/dbraw/zinc/20/12/57/183201257.db2.gz ROOKFJAPDXSMNG-CABCVRRESA-N 2 1 246.354 1.233 10 0 BDAEMP O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@]12CC[NH2+]C2 ZINC000096964515 183201259 /nfs/dbraw/zinc/20/12/59/183201259.db2.gz ROOKFJAPDXSMNG-CABCVRRESA-N 2 1 246.354 1.233 10 0 BDAEMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000049565122 183338635 /nfs/dbraw/zinc/33/86/35/183338635.db2.gz YTOBVQDSVVTULV-HUUCEWRRSA-N 2 1 245.370 1.841 10 0 BDAEMP CCCNC(=O)C[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037757944 169220022 /nfs/dbraw/zinc/22/00/22/169220022.db2.gz INJSOYJPERKXGA-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCCNC(=O)C[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037757944 169220025 /nfs/dbraw/zinc/22/00/25/169220025.db2.gz INJSOYJPERKXGA-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCC[NH2+]CCCC[N@H+]1CCN(C)[C@H](CC)C1 ZINC000104126304 169257273 /nfs/dbraw/zinc/25/72/73/169257273.db2.gz MSABFUKBHNNBEQ-CQSZACIVSA-N 2 1 241.423 1.792 10 0 BDAEMP CCC[NH2+]CCCCN1CC[N@H+](C)[C@H](CC)C1 ZINC000104126304 169257275 /nfs/dbraw/zinc/25/72/75/169257275.db2.gz MSABFUKBHNNBEQ-CQSZACIVSA-N 2 1 241.423 1.792 10 0 BDAEMP CCC[NH2+]CCCCN1CC[N@@H+](C)[C@H](CC)C1 ZINC000104126304 169257276 /nfs/dbraw/zinc/25/72/76/169257276.db2.gz MSABFUKBHNNBEQ-CQSZACIVSA-N 2 1 241.423 1.792 10 0 BDAEMP CCC[NH2+][C@H](CCC)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000104128403 169289147 /nfs/dbraw/zinc/28/91/47/169289147.db2.gz DSXUANGYQGPIPZ-ZIAGYGMSSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[C@@H](C)NC(=O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557079 169367415 /nfs/dbraw/zinc/36/74/15/169367415.db2.gz FRGWDHLCPZLAHB-VXGBXAGGSA-N 2 1 243.395 1.221 10 0 BDAEMP C[C@]1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCCS1 ZINC000227394502 383857757 /nfs/dbraw/zinc/85/77/57/383857757.db2.gz OEUFKOFGLBMHOZ-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@]1(C[N@H+]2CC[C@@H]([NH3+])C2)CCCS1 ZINC000227394502 383857761 /nfs/dbraw/zinc/85/77/61/383857761.db2.gz OEUFKOFGLBMHOZ-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccccc2)C1 ZINC000068593207 384002026 /nfs/dbraw/zinc/00/20/26/384002026.db2.gz ZIGFEJOVAYQSSS-YPMHNXCESA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccccc2)C1 ZINC000068593207 384002030 /nfs/dbraw/zinc/00/20/30/384002030.db2.gz ZIGFEJOVAYQSSS-YPMHNXCESA-N 2 1 204.317 1.856 10 0 BDAEMP [NH3+]C[C@H]1C[C@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000102132643 384699218 /nfs/dbraw/zinc/69/92/18/384699218.db2.gz SWGYRTDBCKJJOX-MNOVXSKESA-N 2 1 241.338 1.873 10 0 BDAEMP [NH3+]C[C@H]1C[C@H]2Cc3c4ccccc4[nH]c3C[N@H+]2C1 ZINC000102132643 384699224 /nfs/dbraw/zinc/69/92/24/384699224.db2.gz SWGYRTDBCKJJOX-MNOVXSKESA-N 2 1 241.338 1.873 10 0 BDAEMP c1cn(CC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cn1 ZINC000163012051 384719859 /nfs/dbraw/zinc/71/98/59/384719859.db2.gz XOHCOCOAHIFELN-CYBMUJFWSA-N 2 1 245.330 1.833 10 0 BDAEMP COc1ccsc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398333547 384854502 /nfs/dbraw/zinc/85/45/02/384854502.db2.gz ANXVCNJWHINSKI-VIFPVBQESA-N 2 1 226.345 1.456 10 0 BDAEMP Fc1ccc(F)c(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000258930361 384951627 /nfs/dbraw/zinc/95/16/27/384951627.db2.gz PKWIQIOPTYWAPT-SECBINFHSA-N 2 1 226.270 1.664 10 0 BDAEMP C[C@@H](CCCC[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000310390424 385028281 /nfs/dbraw/zinc/02/82/81/385028281.db2.gz ITXTVYVOVHSUJK-JTQLQIEISA-N 2 1 237.351 1.472 10 0 BDAEMP CC(C)[C@](C)(O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310502332 385095316 /nfs/dbraw/zinc/09/53/16/385095316.db2.gz JOOYNJORTYYOJM-KGLIPLIRSA-N 2 1 240.391 1.421 10 0 BDAEMP CC(C)[C@](C)(O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310502332 385095318 /nfs/dbraw/zinc/09/53/18/385095318.db2.gz JOOYNJORTYYOJM-KGLIPLIRSA-N 2 1 240.391 1.421 10 0 BDAEMP CC(C)[C@](C)(O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000310502332 385095323 /nfs/dbraw/zinc/09/53/23/385095323.db2.gz JOOYNJORTYYOJM-KGLIPLIRSA-N 2 1 240.391 1.421 10 0 BDAEMP C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000062179977 385162023 /nfs/dbraw/zinc/16/20/23/385162023.db2.gz VYCJCYWDYQWLCA-AAEUAGOBSA-N 2 1 204.317 1.651 10 0 BDAEMP C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000062179977 385162029 /nfs/dbraw/zinc/16/20/29/385162029.db2.gz VYCJCYWDYQWLCA-AAEUAGOBSA-N 2 1 204.317 1.651 10 0 BDAEMP C[C@@H]1CS[C@]2(CC[N@H+](C)[C@@H](C)C2)[NH2+]1 ZINC000156983267 385479051 /nfs/dbraw/zinc/47/90/51/385479051.db2.gz ZFGVOHFYUDSZBE-UTLUCORTSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@@H]1CS[C@]2(CC[N@@H+](C)[C@@H](C)C2)[NH2+]1 ZINC000156983267 385479058 /nfs/dbraw/zinc/47/90/58/385479058.db2.gz ZFGVOHFYUDSZBE-UTLUCORTSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@@H]1C[C@@]2(CC[N@H+]1C)[NH2+]C(C)(C)CS2 ZINC000156990321 385479962 /nfs/dbraw/zinc/47/99/62/385479962.db2.gz MVMGRQSXKKYAPO-KOLCDFICSA-N 2 1 214.378 1.912 10 0 BDAEMP C[C@H]1C[NH2+]CC[N@H+]([C@H]2CCSC2)C1 ZINC000258093466 385537880 /nfs/dbraw/zinc/53/78/80/385537880.db2.gz KJGDTWZLCFUXGF-UWVGGRQHSA-N 2 1 200.351 1.033 10 0 BDAEMP c1cn2c([nH+]1)C[C@H](C[NH2+]C1CCCC1)CC2 ZINC000309542206 385684725 /nfs/dbraw/zinc/68/47/25/385684725.db2.gz GOJHRSUSKINPHI-LLVKDONJSA-N 2 1 219.332 1.978 10 0 BDAEMP [NH3+]C[C@@]1(CC2CCCCC2)C[NH2+]CCO1 ZINC000211950071 385701754 /nfs/dbraw/zinc/70/17/54/385701754.db2.gz FDIJUIRMUVBBAW-LBPRGKRZSA-N 2 1 212.337 1.274 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@@]1(C[NH3+])CCS[C@H]1C ZINC000575589080 386311400 /nfs/dbraw/zinc/31/14/00/386311400.db2.gz GKQRHCAGWWNUFP-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CCS[C@H]1C ZINC000575589080 386311404 /nfs/dbraw/zinc/31/14/04/386311404.db2.gz GKQRHCAGWWNUFP-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000324260740 386835478 /nfs/dbraw/zinc/83/54/78/386835478.db2.gz HBAXYQATGQQBQE-CYBMUJFWSA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000306445653 387165632 /nfs/dbraw/zinc/16/56/32/387165632.db2.gz QZGVGLCNNAOBLE-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 ZINC000306445653 387165636 /nfs/dbraw/zinc/16/56/36/387165636.db2.gz QZGVGLCNNAOBLE-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400595655 387199071 /nfs/dbraw/zinc/19/90/71/387199071.db2.gz VMNRLMSGUMZSRQ-CHWSQXEVSA-N 3 1 225.380 1.060 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643464301 387361476 /nfs/dbraw/zinc/36/14/76/387361476.db2.gz UOJSQUIPFZRCNF-IHRRRGAJSA-N 2 1 241.423 1.694 10 0 BDAEMP C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCS1 ZINC000575522375 387441728 /nfs/dbraw/zinc/44/17/28/387441728.db2.gz BZLHUOKKNDRPQJ-UWVGGRQHSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCS1 ZINC000575522375 387441732 /nfs/dbraw/zinc/44/17/32/387441732.db2.gz BZLHUOKKNDRPQJ-UWVGGRQHSA-N 2 1 200.351 1.176 10 0 BDAEMP c1cc2c(nc[nH+]c2NCC[C@H]2CC[NH2+]C2)[nH]1 ZINC000516555919 387523019 /nfs/dbraw/zinc/52/30/19/387523019.db2.gz LWFMIUCLDWGZRH-SECBINFHSA-N 2 1 231.303 1.321 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC(C)(C)C1 ZINC000304502846 387490916 /nfs/dbraw/zinc/49/09/16/387490916.db2.gz GOBPLNCMYZWZTJ-FRRDWIJNSA-N 2 1 242.407 1.713 10 0 BDAEMP C[C@H]([NH2+]CCN1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643456761 387692700 /nfs/dbraw/zinc/69/27/00/387692700.db2.gz WWRGXHUBBQVPMT-QWHCGFSZSA-N 2 1 225.380 1.060 10 0 BDAEMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129242605 387765284 /nfs/dbraw/zinc/76/52/84/387765284.db2.gz JTFSAXRPFLLPIT-ZIAGYGMSSA-N 3 1 239.407 1.450 10 0 BDAEMP CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422972458 387821549 /nfs/dbraw/zinc/82/15/49/387821549.db2.gz LRDTVWHCKMXJNO-MCIONIFRSA-N 2 1 239.407 1.306 10 0 BDAEMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422972458 387821552 /nfs/dbraw/zinc/82/15/52/387821552.db2.gz LRDTVWHCKMXJNO-MCIONIFRSA-N 3 1 239.407 1.306 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422972458 387821555 /nfs/dbraw/zinc/82/15/55/387821555.db2.gz LRDTVWHCKMXJNO-MCIONIFRSA-N 3 1 239.407 1.306 10 0 BDAEMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C=CCCC3)C[C@@H]2C1 ZINC000193612528 387859649 /nfs/dbraw/zinc/85/96/49/387859649.db2.gz IMHJIPGNCJXQNT-FRRDWIJNSA-N 2 1 206.333 1.589 10 0 BDAEMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3C=CCCC3)C[C@@H]2C1 ZINC000193612528 387859653 /nfs/dbraw/zinc/85/96/53/387859653.db2.gz IMHJIPGNCJXQNT-FRRDWIJNSA-N 2 1 206.333 1.589 10 0 BDAEMP CN1C[C@@H]2C[N@H+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000193628211 387860645 /nfs/dbraw/zinc/86/06/45/387860645.db2.gz LEWKMSDGHIRIFH-PHIMTYICSA-N 2 1 212.413 1.357 10 0 BDAEMP C[N@H+]1C[C@@H]2C[NH+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000193628211 387860649 /nfs/dbraw/zinc/86/06/49/387860649.db2.gz LEWKMSDGHIRIFH-PHIMTYICSA-N 2 1 212.413 1.357 10 0 BDAEMP C[N@@H+]1C[C@@H]2C[NH+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000193628211 387860652 /nfs/dbraw/zinc/86/06/52/387860652.db2.gz LEWKMSDGHIRIFH-PHIMTYICSA-N 2 1 212.413 1.357 10 0 BDAEMP C[NH+]1C[C@@H]2C[N@@H+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000193628211 387860658 /nfs/dbraw/zinc/86/06/58/387860658.db2.gz LEWKMSDGHIRIFH-PHIMTYICSA-N 2 1 212.413 1.357 10 0 BDAEMP C[NH+]1C[C@@H]2C[N@H+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000193628211 387860661 /nfs/dbraw/zinc/86/06/61/387860661.db2.gz LEWKMSDGHIRIFH-PHIMTYICSA-N 2 1 212.413 1.357 10 0 BDAEMP CC(C)C1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000339518663 388484867 /nfs/dbraw/zinc/48/48/67/388484867.db2.gz YELMKBFYRSNTSO-GFCCVEGCSA-N 2 1 226.364 1.220 10 0 BDAEMP CC(C)C1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000339518663 388484870 /nfs/dbraw/zinc/48/48/70/388484870.db2.gz YELMKBFYRSNTSO-GFCCVEGCSA-N 2 1 226.364 1.220 10 0 BDAEMP C[NH2+][C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575508169 388993804 /nfs/dbraw/zinc/99/38/04/388993804.db2.gz OOMUTXJGFMZXGF-GJZGRUSLSA-N 2 1 246.354 1.639 10 0 BDAEMP C[C@@H]1C[C@@]2(CC[NH2+]1)[NH2+]C(C)(C)CS2 ZINC000575511824 389010359 /nfs/dbraw/zinc/01/03/59/389010359.db2.gz JQUUOTHALADLAD-SCZZXKLOSA-N 2 1 200.351 1.570 10 0 BDAEMP Cc1ccc(N2C[C@H](C[NH3+])CC[C@@H]2C)[nH+]c1 ZINC000053704266 132363187 /nfs/dbraw/zinc/36/31/87/132363187.db2.gz OBZCMVQYEVSPCB-RYUDHWBXSA-N 2 1 219.332 1.954 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227467580 134384309 /nfs/dbraw/zinc/38/43/09/134384309.db2.gz PDZDUOCVKGKLNC-IHRRRGAJSA-N 2 1 239.407 1.528 10 0 BDAEMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000250342828 135052976 /nfs/dbraw/zinc/05/29/76/135052976.db2.gz DLQDDIJWNPFESR-QWHCGFSZSA-N 2 1 228.380 1.421 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251824885 135082378 /nfs/dbraw/zinc/08/23/78/135082378.db2.gz PDZDUOCVKGKLNC-RDBSUJKOSA-N 2 1 239.407 1.528 10 0 BDAEMP CC1(C)C[N@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000258902520 135135789 /nfs/dbraw/zinc/13/57/89/135135789.db2.gz UYOCGHVPZRGDIJ-LBPRGKRZSA-N 2 1 219.332 1.641 10 0 BDAEMP CC1(C)C[N@@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000258902520 135135790 /nfs/dbraw/zinc/13/57/90/135135790.db2.gz UYOCGHVPZRGDIJ-LBPRGKRZSA-N 2 1 219.332 1.641 10 0 BDAEMP Cc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000261540741 135180447 /nfs/dbraw/zinc/18/04/47/135180447.db2.gz HPLSNLGPRFGDEA-SKDRFNHKSA-N 2 1 234.347 1.657 10 0 BDAEMP CC1(C)C[N@@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000261604666 135237651 /nfs/dbraw/zinc/23/76/51/135237651.db2.gz AKDSOIQAHZTLLM-LBPRGKRZSA-N 2 1 226.364 1.472 10 0 BDAEMP C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262034409 135274798 /nfs/dbraw/zinc/27/47/98/135274798.db2.gz OJYKYJQUNAGERT-AAEUAGOBSA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@@H](c1cnn(C)c1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262034409 135274800 /nfs/dbraw/zinc/27/48/00/135274800.db2.gz OJYKYJQUNAGERT-AAEUAGOBSA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@H]1CC[N@@H+]1[C@@]1(C[NH3+])CCCSC1 ZINC000575592333 397990656 /nfs/dbraw/zinc/99/06/56/397990656.db2.gz SYUVIKQVJRGTGP-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1CC[N@H+]1[C@@]1(C[NH3+])CCCSC1 ZINC000575592333 397990658 /nfs/dbraw/zinc/99/06/58/397990658.db2.gz SYUVIKQVJRGTGP-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP CC[C@H](C)[C@H](C[NH3+])[N@@H+]1CCCOCC1 ZINC000061916425 171392655 /nfs/dbraw/zinc/39/26/55/171392655.db2.gz PRMYJDOBCICDGT-QWRGUYRKSA-N 2 1 200.326 1.082 10 0 BDAEMP CC[C@H](C)[C@H](C[NH3+])[N@H+]1CCCOCC1 ZINC000061916425 171392657 /nfs/dbraw/zinc/39/26/57/171392657.db2.gz PRMYJDOBCICDGT-QWRGUYRKSA-N 2 1 200.326 1.082 10 0 BDAEMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000665274084 410742606 /nfs/dbraw/zinc/74/26/06/410742606.db2.gz JKSPTKRLEWKOFV-MJBXVCDLSA-N 2 1 239.407 1.448 10 0 BDAEMP CCCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000665274084 410742613 /nfs/dbraw/zinc/74/26/13/410742613.db2.gz JKSPTKRLEWKOFV-MJBXVCDLSA-N 2 1 239.407 1.448 10 0 BDAEMP CC(C)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073654321 166974143 /nfs/dbraw/zinc/97/41/43/166974143.db2.gz AVDWWHNNRHJAAA-KGLIPLIRSA-N 2 1 239.407 1.258 10 0 BDAEMP CC(C)C[NH2+]C1(CO)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038122086 167003752 /nfs/dbraw/zinc/00/37/52/167003752.db2.gz JUFHSJUPAUMGEX-FUNVUKJBSA-N 2 1 226.364 1.220 10 0 BDAEMP CC(C)C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275662356 167007130 /nfs/dbraw/zinc/00/71/30/167007130.db2.gz VDNOVSYSGNATHT-NSHDSACASA-N 2 1 207.321 1.691 10 0 BDAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000309641637 167106523 /nfs/dbraw/zinc/10/65/23/167106523.db2.gz UTBBOGKLZNWTOU-STQMWFEESA-N 2 1 226.364 1.343 10 0 BDAEMP CC(C)[NH2+]CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000309641637 167106525 /nfs/dbraw/zinc/10/65/25/167106525.db2.gz UTBBOGKLZNWTOU-STQMWFEESA-N 2 1 226.364 1.343 10 0 BDAEMP Cc1cnc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)o1 ZINC000314761815 411054688 /nfs/dbraw/zinc/05/46/88/411054688.db2.gz SCVCQPXYMMWMJP-LLVKDONJSA-N 2 1 248.330 2.000 10 0 BDAEMP Cn1cc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cn1 ZINC000310394190 411234451 /nfs/dbraw/zinc/23/44/51/411234451.db2.gz JHUQBBLCNJXBEL-WCQYABFASA-N 2 1 234.347 1.167 10 0 BDAEMP Cn1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cn1 ZINC000310394191 411234591 /nfs/dbraw/zinc/23/45/91/411234591.db2.gz JHUQBBLCNJXBEL-YPMHNXCESA-N 2 1 234.347 1.167 10 0 BDAEMP Cn1c2ccccc2[nH]c1=[NH+]CCC1(C[NH3+])CC1 ZINC000404543752 411400852 /nfs/dbraw/zinc/40/08/52/411400852.db2.gz ABHCKJAFPYRNDC-UHFFFAOYSA-N 2 1 244.342 1.536 10 0 BDAEMP CC[C@@H]1C[N@H+](Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000122375492 411431849 /nfs/dbraw/zinc/43/18/49/411431849.db2.gz GVGMREXICPWOLX-YPMHNXCESA-N 2 1 236.363 1.288 10 0 BDAEMP CC[C@@H]1C[N@@H+](Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000122375492 411431851 /nfs/dbraw/zinc/43/18/51/411431851.db2.gz GVGMREXICPWOLX-YPMHNXCESA-N 2 1 236.363 1.288 10 0 BDAEMP CC[N@H+]1CC[C@H](CN2CC[C@H]([NH2+]C)[C@H](C)C2)C1 ZINC000049712893 170015009 /nfs/dbraw/zinc/01/50/09/170015009.db2.gz MAWQJHIRJXFBKB-RDBSUJKOSA-N 2 1 239.407 1.258 10 0 BDAEMP CC[NH2+]C1CCN([C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000049216620 170109816 /nfs/dbraw/zinc/10/98/16/170109816.db2.gz YHHXGIXWRCSQRN-CQSZACIVSA-N 2 1 239.407 1.545 10 0 BDAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@H](O)C2)CCCC1 ZINC000051257025 170110804 /nfs/dbraw/zinc/11/08/04/170110804.db2.gz IVRBZCFGNGJDNT-ZDUSSCGKSA-N 2 1 240.391 1.613 10 0 BDAEMP CC[NH2+]CCCCC[N@@H+](C)Cc1cnn(C)c1 ZINC000052570402 170111808 /nfs/dbraw/zinc/11/18/08/170111808.db2.gz OIZNTFSLRCTZNW-UHFFFAOYSA-N 2 1 238.379 1.632 10 0 BDAEMP CC[NH2+]CCC[C@H](C)[N@@H+](C)Cc1nccn1C ZINC000062326267 170112343 /nfs/dbraw/zinc/11/23/43/170112343.db2.gz YOPSHWBWELCMMN-LBPRGKRZSA-N 2 1 238.379 1.630 10 0 BDAEMP CC[NH2+]C[C@H](O)C[N@@H+](CCOC)C(CC)CC ZINC000042615904 170121663 /nfs/dbraw/zinc/12/16/63/170121663.db2.gz QYRVVEWVESJZGK-ZDUSSCGKSA-N 2 1 246.395 1.094 10 0 BDAEMP CC[NH2+][C@@H]1CCN([C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000049216644 170152641 /nfs/dbraw/zinc/15/26/41/170152641.db2.gz VQBVOBCOPLDWCD-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[NH2+][C@H](CC[N@H+](C)CCO)c1ccccc1 ZINC000053933775 170161279 /nfs/dbraw/zinc/16/12/79/170161279.db2.gz AEURTMITPOWWEK-CQSZACIVSA-N 2 1 236.359 1.651 10 0 BDAEMP CC[NH2+][C@H](CC[N@@H+](C)CCO)c1ccccc1 ZINC000053933775 170161281 /nfs/dbraw/zinc/16/12/81/170161281.db2.gz AEURTMITPOWWEK-CQSZACIVSA-N 2 1 236.359 1.651 10 0 BDAEMP CC[NH2+][C@H](CC[N@H+]1CCC[C@H](O)C1)C(C)(C)C ZINC000054029267 170161374 /nfs/dbraw/zinc/16/13/74/170161374.db2.gz TVIGWXDLCNTALF-QWHCGFSZSA-N 2 1 242.407 1.857 10 0 BDAEMP CC[NH2+][C@H](CC[N@H+](CC(C)C)C(C)C)C(N)=O ZINC000062525289 170161488 /nfs/dbraw/zinc/16/14/88/170161488.db2.gz NZCGMOYOBGZZFC-GFCCVEGCSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[NH2+][C@H](CC[N@@H+](CC(C)C)C(C)C)C(N)=O ZINC000062525289 170161489 /nfs/dbraw/zinc/16/14/89/170161489.db2.gz NZCGMOYOBGZZFC-GFCCVEGCSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[C@@H]1CC[N@@H+](CCOC)CCC[NH2+]1 ZINC000049665402 171012501 /nfs/dbraw/zinc/01/25/01/171012501.db2.gz FYILXJYBSPEKMC-LLVKDONJSA-N 2 1 200.326 1.097 10 0 BDAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000044982824 171012963 /nfs/dbraw/zinc/01/29/63/171012963.db2.gz IJKGSIYYRJNINR-QWHCGFSZSA-N 2 1 226.364 1.487 10 0 BDAEMP CC[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000049662305 171014489 /nfs/dbraw/zinc/01/44/89/171014489.db2.gz GOSJWSVBTNGORX-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@@H+](CCO)C2CC2)C1 ZINC000053880322 171041124 /nfs/dbraw/zinc/04/11/24/171041124.db2.gz PJPLCCFFPHBDGV-MBNYWOFBSA-N 2 1 240.391 1.597 10 0 BDAEMP CC[C@@H]1COCC[N@@H+]1CC1(C[NH3+])CCCC1 ZINC000051248528 171105651 /nfs/dbraw/zinc/10/56/51/171105651.db2.gz RHKQQFFTXHLPPR-GFCCVEGCSA-N 2 1 226.364 1.616 10 0 BDAEMP CC[C@@H]1COCC[N@H+]1CC1(C[NH3+])CCCC1 ZINC000051248528 171105652 /nfs/dbraw/zinc/10/56/52/171105652.db2.gz RHKQQFFTXHLPPR-GFCCVEGCSA-N 2 1 226.364 1.616 10 0 BDAEMP CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000662276234 412068674 /nfs/dbraw/zinc/06/86/74/412068674.db2.gz HMZKEASJLDPVPA-IVZWLZJFSA-N 2 1 220.307 1.947 10 0 BDAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000662276234 412068678 /nfs/dbraw/zinc/06/86/78/412068678.db2.gz HMZKEASJLDPVPA-IVZWLZJFSA-N 2 1 220.307 1.947 10 0 BDAEMP CC[C@@]1(C[N@@H+](C)C[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000062862476 171211020 /nfs/dbraw/zinc/21/10/20/171211020.db2.gz NFPWYMQVZGNADU-UONOGXRCSA-N 2 1 240.391 1.877 10 0 BDAEMP CCc1[nH+]ccn1C[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052593180 172025885 /nfs/dbraw/zinc/02/58/85/172025885.db2.gz WZQVZHVWQQTBHC-STQMWFEESA-N 2 1 249.358 1.745 10 0 BDAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336776851 172493249 /nfs/dbraw/zinc/49/32/49/172493249.db2.gz GUZLAWNCQCWRHF-UTUOFQBUSA-N 2 1 232.343 1.027 10 0 BDAEMP C[N@H+]1CCCN([C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000034676256 173017191 /nfs/dbraw/zinc/01/71/91/173017191.db2.gz GITCWTVYIMNOLM-HNNXBMFYSA-N 2 1 247.386 1.194 10 0 BDAEMP C[N@H+]1CCC[C@@H](n2c(N)[nH+]c3ccccc32)C1 ZINC000042278785 173022867 /nfs/dbraw/zinc/02/28/67/173022867.db2.gz JYAQQOFYPPCGRV-SNVBAGLBSA-N 2 1 230.315 1.885 10 0 BDAEMP C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000336721917 173042503 /nfs/dbraw/zinc/04/25/03/173042503.db2.gz XRKZAEXRZSVLCL-QWHCGFSZSA-N 2 1 242.407 1.667 10 0 BDAEMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000336721917 173042505 /nfs/dbraw/zinc/04/25/05/173042505.db2.gz XRKZAEXRZSVLCL-QWHCGFSZSA-N 2 1 242.407 1.667 10 0 BDAEMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336721917 173042507 /nfs/dbraw/zinc/04/25/07/173042507.db2.gz XRKZAEXRZSVLCL-QWHCGFSZSA-N 2 1 242.407 1.667 10 0 BDAEMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccco2)C1 ZINC000070141787 173043005 /nfs/dbraw/zinc/04/30/05/173043005.db2.gz KQQQYSQNYMNFLV-NEPJUHHUSA-N 2 1 238.331 1.244 10 0 BDAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccco2)C1 ZINC000070141787 173043007 /nfs/dbraw/zinc/04/30/07/173043007.db2.gz KQQQYSQNYMNFLV-NEPJUHHUSA-N 2 1 238.331 1.244 10 0 BDAEMP C[NH2+]C[C@@H](c1ccccc1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000104138749 173367172 /nfs/dbraw/zinc/36/71/72/173367172.db2.gz GVAPCGPHMCNRBP-HIFRSBDPSA-N 2 1 247.386 1.583 10 0 BDAEMP C[NH2+]C[C@@H]1CCN([C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000053032797 173370776 /nfs/dbraw/zinc/37/07/76/173370776.db2.gz SDBZYOFPDJRGSX-BFHYXJOUSA-N 2 1 237.391 1.155 10 0 BDAEMP C[NH2+]C[C@@H]1CCN(C[C@@H]2CCCC[N@H+]2C)C1 ZINC000053033686 173371102 /nfs/dbraw/zinc/37/11/02/173371102.db2.gz AIZLYFDYTIEKRA-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2OC)C1 ZINC000011892001 173371133 /nfs/dbraw/zinc/37/11/33/173371133.db2.gz HQCZEQTULCKICY-ZDUSSCGKSA-N 2 1 248.370 1.779 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccco2)C1 ZINC000053031204 173381642 /nfs/dbraw/zinc/38/16/42/173381642.db2.gz MIVYEMQRCJZDDO-WDEREUQCSA-N 2 1 208.305 1.882 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccco2)C1 ZINC000053031204 173381644 /nfs/dbraw/zinc/38/16/44/173381644.db2.gz MIVYEMQRCJZDDO-WDEREUQCSA-N 2 1 208.305 1.882 10 0 BDAEMP C[NH2+]Cc1cccc(OCCn2cc[nH+]c2C)c1 ZINC000049329432 173389478 /nfs/dbraw/zinc/38/94/78/173389478.db2.gz ZGAJCNUMVZHXIF-UHFFFAOYSA-N 2 1 245.326 1.990 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000052453155 173390922 /nfs/dbraw/zinc/39/09/22/173390922.db2.gz XKNXONNCCXQLDF-LLVKDONJSA-N 2 1 240.372 1.936 10 0 BDAEMP C[NH2+]Cc1ccoc1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000104132396 173391257 /nfs/dbraw/zinc/39/12/57/173391257.db2.gz ZFXKGYINNOBASY-NSHDSACASA-N 2 1 237.347 1.135 10 0 BDAEMP C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000053294117 173396878 /nfs/dbraw/zinc/39/68/78/173396878.db2.gz CLBQEFBJJIDTTR-UHFFFAOYSA-N 2 1 225.361 1.629 10 0 BDAEMP C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000053294117 173396879 /nfs/dbraw/zinc/39/68/79/173396879.db2.gz CLBQEFBJJIDTTR-UHFFFAOYSA-N 2 1 225.361 1.629 10 0 BDAEMP C[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)C1CCOCC1 ZINC000053858328 173431185 /nfs/dbraw/zinc/43/11/85/173431185.db2.gz MEBAQTJBCJEMHO-TZMCWYRMSA-N 2 1 240.391 1.875 10 0 BDAEMP COCCC[N@@H+](CCOC)CC[C@H]1CCC[NH2+]1 ZINC000042425422 174223369 /nfs/dbraw/zinc/22/33/69/174223369.db2.gz FELLZPAHDUPYQE-CYBMUJFWSA-N 2 1 244.379 1.113 10 0 BDAEMP COCC[N@@H+](C)CC[C@H]([NH3+])c1ccc(F)cc1 ZINC000053984527 174278984 /nfs/dbraw/zinc/27/89/84/174278984.db2.gz UTVPWPVYCZQDNA-ZDUSSCGKSA-N 2 1 240.322 1.794 10 0 BDAEMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)C1CC1 ZINC000042689363 174298314 /nfs/dbraw/zinc/29/83/14/174298314.db2.gz DIQOPSPZHWKIKC-QWHCGFSZSA-N 2 1 240.391 1.733 10 0 BDAEMP COc1ccc(OC)c([C@@H](CC[NH3+])[NH+](C)C)c1 ZINC000019673461 175167169 /nfs/dbraw/zinc/16/71/69/175167169.db2.gz HQOWFAIGJAXWRX-GFCCVEGCSA-N 2 1 238.331 1.655 10 0 BDAEMP COc1ccccc1C[C@@](C)(C[NH3+])[NH2+]C(C)C ZINC000050271016 175333161 /nfs/dbraw/zinc/33/31/61/175333161.db2.gz IHMIFTWMDXWZMZ-AWEZNQCLSA-N 2 1 236.359 1.953 10 0 BDAEMP C[C@@H](c1ccc2c(c1)OCO2)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245112 176016626 /nfs/dbraw/zinc/01/66/26/176016626.db2.gz MCGNPQUERFFISN-WDEREUQCSA-N 2 1 248.326 1.757 10 0 BDAEMP C[C@@H]1CCC[N@H+]1CC1(C[NH3+])CCOCC1 ZINC000052180458 176108503 /nfs/dbraw/zinc/10/85/03/176108503.db2.gz WFAVBUZCUCTBSE-LLVKDONJSA-N 2 1 212.337 1.226 10 0 BDAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@]2(C[NH3+])CCOC2)C1 ZINC000051251792 176120434 /nfs/dbraw/zinc/12/04/34/176120434.db2.gz CNVOVMBKWQSSEQ-MGPQQGTHSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@@H]1CC[N@@H+](CC2(C[NH3+])CCOCC2)[C@H](C)C1 ZINC000052198248 176167911 /nfs/dbraw/zinc/16/79/11/176167911.db2.gz DEHQAWYKGPMTLM-CHWSQXEVSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@@H]1CC[N@@H+](CC2(O)CC[NH2+]CC2)[C@H](C)C1 ZINC000051732082 176168338 /nfs/dbraw/zinc/16/83/38/176168338.db2.gz MJVXCZBINFSFCT-VXGBXAGGSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cc[nH+]cc1Cl ZINC000335657970 176184997 /nfs/dbraw/zinc/18/49/97/176184997.db2.gz QQBFJGVSFITYIN-KCJUWKMLSA-N 2 1 225.723 1.567 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]1Cc1ccccc1 ZINC000039318912 176223766 /nfs/dbraw/zinc/22/37/66/176223766.db2.gz PQXFFBLKACKRKM-DGCLKSJQSA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH3+])[N@H+]1Cc1ccccc1 ZINC000039318912 176223767 /nfs/dbraw/zinc/22/37/67/176223767.db2.gz PQXFFBLKACKRKM-DGCLKSJQSA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000038096171 176278281 /nfs/dbraw/zinc/27/82/81/176278281.db2.gz AQUHUUNWSKYNQV-MQYQWHSLSA-N 2 1 240.391 1.874 10 0 BDAEMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000061918635 176290330 /nfs/dbraw/zinc/29/03/30/176290330.db2.gz LHIVKJBMGPAAGL-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cc(C[NH3+])co2)CCCO1 ZINC000061935625 176302077 /nfs/dbraw/zinc/30/20/77/176302077.db2.gz PEQPWXVQMLWOJB-SNVBAGLBSA-N 2 1 224.304 1.349 10 0 BDAEMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000309762597 176344553 /nfs/dbraw/zinc/34/45/53/176344553.db2.gz JAKRGUOAUNOXFS-RTXFEEFZSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@H]([NH3+])CNc1c(C(N)=O)c[nH+]c2ccccc21 ZINC000104204630 176760477 /nfs/dbraw/zinc/76/04/77/176760477.db2.gz PJYPTYCMXCGWEW-QMMMGPOBSA-N 2 1 244.298 1.093 10 0 BDAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN1CCC[NH2+]CC1 ZINC000061274952 177117457 /nfs/dbraw/zinc/11/74/57/177117457.db2.gz RYJVIGKGNIJNGW-OKILXGFUSA-N 2 1 239.407 1.545 10 0 BDAEMP C[C@@H]1CC[N@H+](C2CCN(C)CC2)CC[C@H](C)[NH2+]1 ZINC000049665935 177156695 /nfs/dbraw/zinc/15/66/95/177156695.db2.gz WBBUZQMNIMVBKX-BETUJISGSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@@H]1CC[N@@H+](C2CCN(C)CC2)CC[C@H](C)[NH2+]1 ZINC000049665935 177156696 /nfs/dbraw/zinc/15/66/96/177156696.db2.gz WBBUZQMNIMVBKX-BETUJISGSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000042824622 177161769 /nfs/dbraw/zinc/16/17/69/177161769.db2.gz DZCLMSWEYVCXHG-STQMWFEESA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000040716991 177165833 /nfs/dbraw/zinc/16/58/33/177165833.db2.gz LHBMNQCXRNBFIA-NSHDSACASA-N 2 1 204.317 1.987 10 0 BDAEMP C[C@H]1CC[NH2+]C[C@H]1Nc1cc[nH+]cc1Cl ZINC000335657969 177174516 /nfs/dbraw/zinc/17/45/16/177174516.db2.gz QQBFJGVSFITYIN-GZMMTYOYSA-N 2 1 225.723 1.567 10 0 BDAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccncc1 ZINC000042427325 177189868 /nfs/dbraw/zinc/18/98/68/177189868.db2.gz DHPMVNHQRDZMKX-AAEUAGOBSA-N 2 1 219.332 1.641 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])o2)CCCO1 ZINC000061935392 177262342 /nfs/dbraw/zinc/26/23/42/177262342.db2.gz JTCIICGNBRBQSW-JTQLQIEISA-N 2 1 224.304 1.349 10 0 BDAEMP C[C@H]1C[NH+](Cc2ccc(C(N)=[NH2+])cc2)C[C@H](C)O1 ZINC000034689325 177262354 /nfs/dbraw/zinc/26/23/54/177262354.db2.gz FMCOVORRICXVPT-QWRGUYRKSA-N 2 1 247.342 1.580 10 0 BDAEMP C[C@H]1C[NH+]=C(NC[C@@H]2CCCC[N@H+]2C)S1 ZINC000044563804 177281293 /nfs/dbraw/zinc/28/12/93/177281293.db2.gz QBKGGEXBVYVDPG-UWVGGRQHSA-N 2 1 227.377 1.552 10 0 BDAEMP C[C@H]1C[NH2+]CCCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000049667045 177281612 /nfs/dbraw/zinc/28/16/12/177281612.db2.gz PDVLQKZVLZMGIH-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+]([C@@H]2CCCN(C)C2)C1 ZINC000049667045 177281614 /nfs/dbraw/zinc/28/16/14/177281614.db2.gz PDVLQKZVLZMGIH-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@H+]([C@@H]2CCCN(C)C2)C1 ZINC000049667045 177281615 /nfs/dbraw/zinc/28/16/15/177281615.db2.gz PDVLQKZVLZMGIH-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+]([C@@H]2CN3CCC2CC3)C1 ZINC000049664551 177281979 /nfs/dbraw/zinc/28/19/79/177281979.db2.gz MHSVBWPZDKKCLY-GXTWGEPZSA-N 2 1 237.391 1.012 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@H+]([C@@H]2CN3CCC2CC3)C1 ZINC000049664551 177281980 /nfs/dbraw/zinc/28/19/80/177281980.db2.gz MHSVBWPZDKKCLY-GXTWGEPZSA-N 2 1 237.391 1.012 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C2CCN(C)CC2)C1 ZINC000049665945 177285126 /nfs/dbraw/zinc/28/51/26/177285126.db2.gz OBFAMWTUKLPPTM-BETUJISGSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)CN(C2CC[NH+](C)CC2)C1 ZINC000049665945 177285128 /nfs/dbraw/zinc/28/51/28/177285128.db2.gz OBFAMWTUKLPPTM-BETUJISGSA-N 2 1 239.407 1.258 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](Cc2ccco2)C1 ZINC000049664347 177285463 /nfs/dbraw/zinc/28/54/63/177285463.db2.gz LZIQHCKODULJAN-TXEJJXNPSA-N 2 1 222.332 1.957 10 0 BDAEMP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CCC[N@H+]2C)C1 ZINC000225888545 487653296 /nfs/dbraw/zinc/65/32/96/487653296.db2.gz SBBPJDVSPAYOAG-KGLIPLIRSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@H]([NH2+][C@H]1CSC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000306919177 229397583 /nfs/dbraw/zinc/39/75/83/229397583.db2.gz AZQFZNSENGEMIW-GUBZILKMSA-N 2 1 214.378 1.611 10 0 BDAEMP Cn1nccc1CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226468272 487753077 /nfs/dbraw/zinc/75/30/77/487753077.db2.gz LYXFCETYONKZQR-GFCCVEGCSA-N 2 1 236.363 1.037 10 0 BDAEMP CCOc1ccccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398403369 323185793 /nfs/dbraw/zinc/18/57/93/323185793.db2.gz OSWLQOPPTJSDQI-LBPRGKRZSA-N 2 1 234.343 1.784 10 0 BDAEMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000315038527 326314491 /nfs/dbraw/zinc/31/44/91/326314491.db2.gz HVOIMSBPUKZNBI-LBPRGKRZSA-N 2 1 237.347 1.057 10 0 BDAEMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CCO)C1 ZINC000315038527 326314494 /nfs/dbraw/zinc/31/44/94/326314494.db2.gz HVOIMSBPUKZNBI-LBPRGKRZSA-N 2 1 237.347 1.057 10 0 BDAEMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000161973154 487530381 /nfs/dbraw/zinc/53/03/81/487530381.db2.gz DLHBNUIUTAHSDB-CHWSQXEVSA-N 2 1 246.354 1.976 10 0 BDAEMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000161973154 487530386 /nfs/dbraw/zinc/53/03/86/487530386.db2.gz DLHBNUIUTAHSDB-CHWSQXEVSA-N 2 1 246.354 1.976 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CC=CC3)C[C@H]12 ZINC000662266476 487502333 /nfs/dbraw/zinc/50/23/33/487502333.db2.gz MFMSNEHIPHBSIS-RWMBFGLXSA-N 2 1 206.333 1.622 10 0 BDAEMP Cc1nnsc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000381396727 487508288 /nfs/dbraw/zinc/50/82/88/487508288.db2.gz OYDHPRCZHRWJCJ-AEJSXWLSSA-N 2 1 238.360 1.016 10 0 BDAEMP Cc1nnsc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000381396727 487508292 /nfs/dbraw/zinc/50/82/92/487508292.db2.gz OYDHPRCZHRWJCJ-AEJSXWLSSA-N 2 1 238.360 1.016 10 0 BDAEMP Fc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000258852186 488139442 /nfs/dbraw/zinc/13/94/42/488139442.db2.gz HZVHEYLZSGLKDP-SECBINFHSA-N 2 1 226.270 1.664 10 0 BDAEMP C[C@H](C[NH2+]C1CC[NH+](CCO)CC1)C(C)(C)C ZINC000399104732 488227477 /nfs/dbraw/zinc/22/74/77/488227477.db2.gz XDCNWGLIOQOOOC-GFCCVEGCSA-N 2 1 242.407 1.715 10 0 BDAEMP CCC[C@@H]1CCO[C@@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757147706 582531589 /nfs/dbraw/zinc/53/15/89/582531589.db2.gz SQPNYSHFLRQLME-CHWSQXEVSA-N 2 1 226.364 1.977 10 0 BDAEMP CC(C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000242400355 519731151 /nfs/dbraw/zinc/73/11/51/519731151.db2.gz AVDWWHNNRHJAAA-ZIAGYGMSSA-N 2 1 239.407 1.258 10 0 BDAEMP CCc1ccc(C[N@@H+]2C[C@@H]3[C@H](C[NH3+])[C@@H]3C2)cc1 ZINC000253606538 523931057 /nfs/dbraw/zinc/93/10/57/523931057.db2.gz POACMADOUNDKOW-QDMKHBRRSA-N 2 1 230.355 1.886 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591213 529083177 /nfs/dbraw/zinc/08/31/77/529083177.db2.gz UJRHMRDPKHDCKR-JHJVBQTASA-N 2 1 225.380 1.058 10 0 BDAEMP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591213 529083180 /nfs/dbraw/zinc/08/31/80/529083180.db2.gz UJRHMRDPKHDCKR-JHJVBQTASA-N 2 1 225.380 1.058 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400335881 529091986 /nfs/dbraw/zinc/09/19/86/529091986.db2.gz ABUVVNMSMIYJJS-RWMBFGLXSA-N 2 1 225.380 1.201 10 0 BDAEMP C[NH+](C)CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253279804 535833494 /nfs/dbraw/zinc/83/34/94/535833494.db2.gz KENJWOQUIHBSQR-MCIONIFRSA-N 2 1 240.391 1.564 10 0 BDAEMP C[C@H]1C[C@@H]1[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757124130 582499651 /nfs/dbraw/zinc/49/96/51/582499651.db2.gz BYFROMSCBQYATD-CYDGBPFRSA-N 2 1 208.349 1.859 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757134875 582513344 /nfs/dbraw/zinc/51/33/44/582513344.db2.gz XFELTDUEADGMFW-MGPQQGTHSA-N 2 1 240.391 1.875 10 0 BDAEMP C1CC2(C1)C[NH2+]C1(C[C@H]3CC[C@@H](C1)[NH2+]3)OC2 ZINC000757139401 582519709 /nfs/dbraw/zinc/51/97/09/582519709.db2.gz GXNZBPZPUOLWAO-QYJAPNMZSA-N 2 1 222.332 1.387 10 0 BDAEMP CC(=O)c1ccc([C@H]2CC[NH2+][C@@H](C[NH3+])C2)cc1 ZINC000757216880 582561486 /nfs/dbraw/zinc/56/14/86/582561486.db2.gz QRVJTOUPOSEDHZ-UONOGXRCSA-N 2 1 232.327 1.684 10 0 BDAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1CCC1 ZINC000393804246 582926747 /nfs/dbraw/zinc/92/67/47/582926747.db2.gz PCHHCJFMVUMSAZ-NSHDSACASA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399007984 583169254 /nfs/dbraw/zinc/16/92/54/583169254.db2.gz VMHLOSVIRCHGCK-GFCCVEGCSA-N 2 1 240.391 1.611 10 0 BDAEMP C[C@@H]1C[C@H](c2ccc(C[NH3+])cc2)[NH2+]C[C@@H]1[NH3+] ZINC000757206582 586437296 /nfs/dbraw/zinc/43/72/96/586437296.db2.gz AFUKMPHIORNNIF-JIMOISOXSA-N 3 1 219.332 1.143 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1cccc(N)c1 ZINC000757208644 586438049 /nfs/dbraw/zinc/43/80/49/586438049.db2.gz AKIQZIONGWSEJP-FXAINCCUSA-N 2 1 205.305 1.267 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1cccc(C[NH3+])c1 ZINC000757211909 586438765 /nfs/dbraw/zinc/43/87/65/586438765.db2.gz JIYGSWHVHBPIDH-OASPWFOLSA-N 3 1 219.332 1.143 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1cccc(C[NH3+])c1 ZINC000757211900 586439071 /nfs/dbraw/zinc/43/90/71/586439071.db2.gz JIYGSWHVHBPIDH-ICCXJUOJSA-N 3 1 219.332 1.143 10 0 BDAEMP C[C@@H]1C[C@@H](c2cccc(C[NH3+])c2)[NH2+]C[C@H]1[NH3+] ZINC000757212891 586439610 /nfs/dbraw/zinc/43/96/10/586439610.db2.gz KBIVQXCNRHYYNX-WQAKAFBOSA-N 3 1 219.332 1.143 10 0 BDAEMP CC(C)(C)n1cc([C@H]2CC[C@@H](C[NH3+])[NH2+]C2)cn1 ZINC000757227121 586442904 /nfs/dbraw/zinc/44/29/04/586442904.db2.gz AWFJZYPERWUJHL-JQWIXIFHSA-N 2 1 236.363 1.432 10 0 BDAEMP N[C@@H]1CCC[NH2+][C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757231393 586443269 /nfs/dbraw/zinc/44/32/69/586443269.db2.gz HRTBSQRFHITOCN-HUUCEWRRSA-N 2 1 245.370 1.775 10 0 BDAEMP c1ccc2c(c1)OC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129264669 591272944 /nfs/dbraw/zinc/27/29/44/591272944.db2.gz VNAXNMHWMJBKRL-WCQYABFASA-N 2 1 232.327 1.852 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3CCCC[C@@H]3C2)C1 ZINC000227380391 635449106 /nfs/dbraw/zinc/44/91/06/635449106.db2.gz KBSJSDHRFFPHAW-BFHYXJOUSA-N 2 1 237.391 1.284 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](CN2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000227380391 635449115 /nfs/dbraw/zinc/44/91/15/635449115.db2.gz KBSJSDHRFFPHAW-BFHYXJOUSA-N 2 1 237.391 1.284 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](CN2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000227380391 635449122 /nfs/dbraw/zinc/44/91/22/635449122.db2.gz KBSJSDHRFFPHAW-BFHYXJOUSA-N 2 1 237.391 1.284 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCCCO)C[C@H]12 ZINC000309363563 632023791 /nfs/dbraw/zinc/02/37/91/632023791.db2.gz PCIKXUCJLVZGJF-FRRDWIJNSA-N 2 1 226.364 1.208 10 0 BDAEMP C[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1[NH3+] ZINC000235325377 632667149 /nfs/dbraw/zinc/66/71/49/632667149.db2.gz YJAKJTKXJJIJDR-KOLCDFICSA-N 2 1 210.346 1.570 10 0 BDAEMP C[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1[NH3+] ZINC000235325377 632667153 /nfs/dbraw/zinc/66/71/53/632667153.db2.gz YJAKJTKXJJIJDR-KOLCDFICSA-N 2 1 210.346 1.570 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]12 ZINC000311052926 633059570 /nfs/dbraw/zinc/05/95/70/633059570.db2.gz HAYKUDNVFPCCQY-LXTVHRRPSA-N 2 1 246.354 1.389 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233513740 642677060 /nfs/dbraw/zinc/67/70/60/642677060.db2.gz RQYWRGYHIDOGCV-RDBSUJKOSA-N 2 1 239.407 1.258 10 0 BDAEMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000069626382 642885806 /nfs/dbraw/zinc/88/58/06/642885806.db2.gz YEZDWDXWFKPXBS-NEPJUHHUSA-N 2 1 212.337 1.226 10 0 BDAEMP [NH3+]C1CC(CNc2cc[nH+]cc2Cl)C1 ZINC000086841417 644186237 /nfs/dbraw/zinc/18/62/37/644186237.db2.gz KMSMNJGGDYXNHL-UHFFFAOYSA-N 2 1 211.696 1.884 10 0 BDAEMP C([C@@H]1CCCO1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250850963 644783592 /nfs/dbraw/zinc/78/35/92/644783592.db2.gz OERPJYRKGYWBIQ-BFHYXJOUSA-N 2 1 238.375 1.772 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250850963 644783601 /nfs/dbraw/zinc/78/36/01/644783601.db2.gz OERPJYRKGYWBIQ-BFHYXJOUSA-N 2 1 238.375 1.772 10 0 BDAEMP Cc1cnc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000724072858 711559164 /nfs/dbraw/zinc/55/91/64/711559164.db2.gz UJQMDMDAWNNYAG-NSHDSACASA-N 2 1 219.332 1.396 10 0 BDAEMP COC[C@H](C[N@H+]1C[C@H](C)[C@H]([NH3+])C1)C(C)C ZINC000721909654 711814572 /nfs/dbraw/zinc/81/45/72/711814572.db2.gz AZZFHHYXGUPTRB-SDDRHHMPSA-N 2 1 214.353 1.184 10 0 BDAEMP COCC1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000713930069 712473666 /nfs/dbraw/zinc/47/36/66/712473666.db2.gz ZIWZTEFOFROODK-QCXCNERSSA-N 2 1 226.364 1.484 10 0 BDAEMP COCC1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000713930069 712473672 /nfs/dbraw/zinc/47/36/72/712473672.db2.gz ZIWZTEFOFROODK-QCXCNERSSA-N 2 1 226.364 1.484 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCC(C)(F)F)C[C@@H]1C[NH3+] ZINC000718608714 712773313 /nfs/dbraw/zinc/77/33/13/712773313.db2.gz PWFRBWCFHIJPEH-ZJUUUORDSA-N 2 1 220.307 1.948 10 0 BDAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000723138015 710726091 /nfs/dbraw/zinc/72/60/91/710726091.db2.gz JEFOLBDHDYEKJH-YVECIDJPSA-N 2 1 226.364 1.471 10 0 BDAEMP CCc1nc(NC[C@@H]2C[NH2+]C[C@H]2C)cc(C)[nH+]1 ZINC000723786869 710730915 /nfs/dbraw/zinc/73/09/15/710730915.db2.gz TZTGVYYJDRUDHK-KOLCDFICSA-N 2 1 234.347 1.615 10 0 BDAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000723138010 710725808 /nfs/dbraw/zinc/72/58/08/710725808.db2.gz JEFOLBDHDYEKJH-VOAKCMCISA-N 2 1 226.364 1.471 10 0 BDAEMP COC[C@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000721966223 711845515 /nfs/dbraw/zinc/84/55/15/711845515.db2.gz TVEGCTRRNHMGDE-KBPBESRZSA-N 2 1 242.407 1.979 10 0 BDAEMP C[N@H+](C/C=C\Cl)[C@@H]1CCC[NH2+]CC1 ZINC000379360688 712376078 /nfs/dbraw/zinc/37/60/78/712376078.db2.gz BMVWICPTLJBTKP-XICOKMJESA-N 2 1 202.729 1.813 10 0 BDAEMP C[N@@H+](C/C=C\Cl)[C@@H]1CCC[NH2+]CC1 ZINC000379360688 712376079 /nfs/dbraw/zinc/37/60/79/712376079.db2.gz BMVWICPTLJBTKP-XICOKMJESA-N 2 1 202.729 1.813 10 0 BDAEMP CCC1([NH3+])CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000714752683 712497121 /nfs/dbraw/zinc/49/71/21/712497121.db2.gz MQAOETGONXHZQP-UHFFFAOYSA-N 2 1 249.362 1.250 10 0 BDAEMP COC1CC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000715015290 712503801 /nfs/dbraw/zinc/50/38/01/712503801.db2.gz IDAZITTZEBENCT-GNRIBBGQSA-N 2 1 238.375 1.485 10 0 BDAEMP COC1CC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000715015290 712503802 /nfs/dbraw/zinc/50/38/02/712503802.db2.gz IDAZITTZEBENCT-GNRIBBGQSA-N 2 1 238.375 1.485 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715391232 712522256 /nfs/dbraw/zinc/52/22/56/712522256.db2.gz DKCRZJWMJRFSFD-SAXRGWBVSA-N 2 1 238.375 1.471 10 0 BDAEMP C(C[C@@H]1CCCS1)[NH2+][C@H]1CC[NH2+]C1 ZINC000715731938 712531445 /nfs/dbraw/zinc/53/14/45/712531445.db2.gz LUJLBJABEHVILV-UWVGGRQHSA-N 2 1 200.351 1.224 10 0 BDAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@]12CCSC2 ZINC000685955276 538900501 /nfs/dbraw/zinc/90/05/01/538900501.db2.gz XBOXELUUXRIFIF-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP CC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955185 538900850 /nfs/dbraw/zinc/90/08/50/538900850.db2.gz VRJQPRHZDHCKMB-USZNOCQGSA-N 2 1 212.337 1.366 10 0 BDAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@]12CCSC2 ZINC000685955272 538900961 /nfs/dbraw/zinc/90/09/61/538900961.db2.gz XBOXELUUXRIFIF-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000685965372 538911718 /nfs/dbraw/zinc/91/17/18/538911718.db2.gz BSCQCVYLXBUAJA-HQJQHLMTSA-N 2 1 230.233 1.508 10 0 BDAEMP Cc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c(F)c1 ZINC000685965806 538911785 /nfs/dbraw/zinc/91/17/85/538911785.db2.gz UHQDNIUUROVBIT-CMPLNLGQSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)cc[nH+]1 ZINC000302551388 178117136 /nfs/dbraw/zinc/11/71/36/178117136.db2.gz IKFYYGKCUYGCJU-CQSZACIVSA-N 2 1 247.342 1.301 10 0 BDAEMP Cc1cc(NC[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000167624856 178169630 /nfs/dbraw/zinc/16/96/30/178169630.db2.gz CLWGWYBUIXQXFG-LBPRGKRZSA-N 2 1 221.304 1.133 10 0 BDAEMP Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000167624856 178169632 /nfs/dbraw/zinc/16/96/32/178169632.db2.gz CLWGWYBUIXQXFG-LBPRGKRZSA-N 2 1 221.304 1.133 10 0 BDAEMP C[NH+]1CCC(Nc2[nH+]cccc2N)CC1 ZINC000037267290 361801343 /nfs/dbraw/zinc/80/13/43/361801343.db2.gz GDTAQBNDXYIEAO-UHFFFAOYSA-N 2 1 206.293 1.170 10 0 BDAEMP CCC(CC)NC(=O)[C@@H](C)[N@H+](CC)CCC[NH3+] ZINC000036731819 168380850 /nfs/dbraw/zinc/38/08/50/168380850.db2.gz KURDVKRNEMROPW-LLVKDONJSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](CC)CCC[NH3+] ZINC000036731819 168380852 /nfs/dbraw/zinc/38/08/52/168380852.db2.gz KURDVKRNEMROPW-LLVKDONJSA-N 2 1 243.395 1.350 10 0 BDAEMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037164698 538961703 /nfs/dbraw/zinc/96/17/03/538961703.db2.gz WESNALQMOCLORV-OLZOCXBDSA-N 2 1 226.364 1.364 10 0 BDAEMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000185223782 538970377 /nfs/dbraw/zinc/97/03/77/538970377.db2.gz BTVFETGANIYEAW-CYBMUJFWSA-N 2 1 245.330 1.579 10 0 BDAEMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335517353 398290096 /nfs/dbraw/zinc/29/00/96/398290096.db2.gz JSVMOFIFOKYWDK-OLZOCXBDSA-N 3 1 225.380 1.201 10 0 BDAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C(C)(C)C ZINC000381152438 538995275 /nfs/dbraw/zinc/99/52/75/538995275.db2.gz BBXCQFWEEUBZIV-LLVKDONJSA-N 2 1 228.380 1.467 10 0 BDAEMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000390775114 539027260 /nfs/dbraw/zinc/02/72/60/539027260.db2.gz ZTTOISWHTFYDKX-NWDGAFQWSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@@H]([NH3+])[C@H](C)C[N@H+]1CCOC(C)(C)C1 ZINC000165022594 342869712 /nfs/dbraw/zinc/86/97/12/342869712.db2.gz RKEBDHCDYVMUDJ-NXEZZACHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[N@H+]([C@H]1CCSC1)[C@@H]1CCCC[NH2+]C1 ZINC000227183715 342878166 /nfs/dbraw/zinc/87/81/66/342878166.db2.gz AHQMHUGLLHHXGT-MNOVXSKESA-N 2 1 214.378 1.566 10 0 BDAEMP C[N@@H+]([C@H]1CCSC1)[C@@H]1CCCC[NH2+]C1 ZINC000227183715 342878167 /nfs/dbraw/zinc/87/81/67/342878167.db2.gz AHQMHUGLLHHXGT-MNOVXSKESA-N 2 1 214.378 1.566 10 0 BDAEMP [NH3+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000042432737 343437342 /nfs/dbraw/zinc/43/73/42/343437342.db2.gz WNQZZIGYKMXIFT-CYBMUJFWSA-N 2 1 220.316 1.102 10 0 BDAEMP CCOC[C@@H]1C[N@H+](CC[NH3+])CC12CCCC2 ZINC000409426418 343797875 /nfs/dbraw/zinc/79/78/75/343797875.db2.gz CGYXYSFICACJFO-LBPRGKRZSA-N 2 1 226.364 1.474 10 0 BDAEMP CCOC[C@@H]1C[N@@H+](CC[NH3+])CC12CCCC2 ZINC000409426418 343797878 /nfs/dbraw/zinc/79/78/78/343797878.db2.gz CGYXYSFICACJFO-LBPRGKRZSA-N 2 1 226.364 1.474 10 0 BDAEMP CC(F)(F)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000409425726 343820178 /nfs/dbraw/zinc/82/01/78/343820178.db2.gz GPYJJQFXEORTOW-SECBINFHSA-N 2 1 206.280 1.702 10 0 BDAEMP NCC[N@H+]1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429600 343806067 /nfs/dbraw/zinc/80/60/67/343806067.db2.gz OTQJLZQOJWJNRS-RKDXNWHRSA-N 2 1 204.264 1.312 10 0 BDAEMP [NH3+]CCC[N@H+]1C[C@H](CO)[C@@H](c2ccccc2)C1 ZINC000409435974 343836945 /nfs/dbraw/zinc/83/69/45/343836945.db2.gz XMZWHHLUMFVWQA-ZIAGYGMSSA-N 2 1 234.343 1.043 10 0 BDAEMP CC(C)[C@@](F)(C[NH3+])[C@@H]1CCCCC[NH2+]1 ZINC000158388822 344640187 /nfs/dbraw/zinc/64/01/87/344640187.db2.gz IZYYHHIWWQWSKZ-QWRGUYRKSA-N 2 1 202.317 1.842 10 0 BDAEMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158588017 344685619 /nfs/dbraw/zinc/68/56/19/344685619.db2.gz DLLPJZFDHNBJOI-VHSXEESVSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCS[C@@H]2C)C1 ZINC000235508348 344927362 /nfs/dbraw/zinc/92/73/62/344927362.db2.gz GXTRRXANZGVJFB-LNFKQOIKSA-N 2 1 214.378 1.550 10 0 BDAEMP CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@]1(O)C[NH3+] ZINC000307700342 345904231 /nfs/dbraw/zinc/90/42/31/345904231.db2.gz LWSCMQGDXGIKOZ-CABCVRRESA-N 2 1 248.370 1.608 10 0 BDAEMP C[C@H](NC[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000580182115 346621877 /nfs/dbraw/zinc/62/18/77/346621877.db2.gz GLAJKSBENFJBHT-RWMBFGLXSA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CCC[NH2+]C1 ZINC000580182115 346621880 /nfs/dbraw/zinc/62/18/80/346621880.db2.gz GLAJKSBENFJBHT-RWMBFGLXSA-N 2 1 225.380 1.058 10 0 BDAEMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000580641003 365838895 /nfs/dbraw/zinc/83/88/95/365838895.db2.gz JVIRANKSLXWAJT-GFCCVEGCSA-N 2 1 239.363 1.578 10 0 BDAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCO)C2)[nH+]1 ZINC000177698679 179148090 /nfs/dbraw/zinc/14/80/90/179148090.db2.gz LFPDTZUMWDVTDT-GFCCVEGCSA-N 2 1 235.331 1.116 10 0 BDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCO)C2)[nH+]1 ZINC000177698679 179148092 /nfs/dbraw/zinc/14/80/92/179148092.db2.gz LFPDTZUMWDVTDT-GFCCVEGCSA-N 2 1 235.331 1.116 10 0 BDAEMP [NH3+]C[C@H]([NH3+])C[C@H]1CCc2ccccc2C1 ZINC000169191936 346755282 /nfs/dbraw/zinc/75/52/82/346755282.db2.gz OVTZQVVSWMGEDH-GXFFZTMASA-N 2 1 204.317 1.468 10 0 BDAEMP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325450 347206694 /nfs/dbraw/zinc/20/66/94/347206694.db2.gz CLKPHZVEAHUHLY-QJPTWQEYSA-N 2 1 242.363 1.245 10 0 BDAEMP CCC[C@H](C(=O)OCC)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325450 347206698 /nfs/dbraw/zinc/20/66/98/347206698.db2.gz CLKPHZVEAHUHLY-QJPTWQEYSA-N 2 1 242.363 1.245 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569129 347575539 /nfs/dbraw/zinc/57/55/39/347575539.db2.gz ICFSJXACYJPGPQ-LURJTMIESA-N 2 1 243.179 1.889 10 0 BDAEMP C[NH2+]C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000420115950 192162414 /nfs/dbraw/zinc/16/24/14/192162414.db2.gz FVDKDMAKDWTFIN-SNVBAGLBSA-N 2 1 245.330 1.394 10 0 BDAEMP C[C@H]([NH3+])CC[N@@H+]1CCc2sccc2C1 ZINC000037476682 348620564 /nfs/dbraw/zinc/62/05/64/348620564.db2.gz UCCDMXHFTBZWKG-VIFPVBQESA-N 2 1 210.346 1.844 10 0 BDAEMP C[C@H]([NH3+])CC[N@H+]1CCc2sccc2C1 ZINC000037476682 348620567 /nfs/dbraw/zinc/62/05/67/348620567.db2.gz UCCDMXHFTBZWKG-VIFPVBQESA-N 2 1 210.346 1.844 10 0 BDAEMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)s1 ZINC000037797622 180151918 /nfs/dbraw/zinc/15/19/18/180151918.db2.gz HZMALAUCVPILNF-SNVBAGLBSA-N 2 1 225.361 1.493 10 0 BDAEMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C)C2)s1 ZINC000037797622 180151920 /nfs/dbraw/zinc/15/19/20/180151920.db2.gz HZMALAUCVPILNF-SNVBAGLBSA-N 2 1 225.361 1.493 10 0 BDAEMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(N)c1 ZINC000049330754 180250603 /nfs/dbraw/zinc/25/06/03/180250603.db2.gz HCVLTJYRAFSTTE-UHFFFAOYSA-N 2 1 244.342 1.906 10 0 BDAEMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(N)c1 ZINC000049330754 180250605 /nfs/dbraw/zinc/25/06/05/180250605.db2.gz HCVLTJYRAFSTTE-UHFFFAOYSA-N 2 1 244.342 1.906 10 0 BDAEMP COC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000396603699 323312302 /nfs/dbraw/zinc/31/23/02/323312302.db2.gz BSPMKCZZFKQPHB-WOPDTQHZSA-N 2 1 214.353 1.388 10 0 BDAEMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C23CCOCC3)C1 ZINC000725264055 538090964 /nfs/dbraw/zinc/09/09/64/538090964.db2.gz BDCJBKHYIISULX-AGIUHOORSA-N 2 1 238.375 1.615 10 0 BDAEMP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553565 180341031 /nfs/dbraw/zinc/34/10/31/180341031.db2.gz DERLIXGILWFWLR-JTQLQIEISA-N 2 1 238.379 1.467 10 0 BDAEMP Nc1cccc([C@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616608372 350804860 /nfs/dbraw/zinc/80/48/60/350804860.db2.gz RWIUSXQGBSCHLW-GFCCVEGCSA-N 2 1 205.305 1.364 10 0 BDAEMP Nc1cccc([C@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616608372 350804863 /nfs/dbraw/zinc/80/48/63/350804863.db2.gz RWIUSXQGBSCHLW-GFCCVEGCSA-N 2 1 205.305 1.364 10 0 BDAEMP C[C@H](C[NH3+])[C@H](C)[N@H+]1CCSC[C@H]1C ZINC000252610159 350912904 /nfs/dbraw/zinc/91/29/04/350912904.db2.gz ULTHJTTVIOSKEX-BBBLOLIVSA-N 2 1 202.367 1.407 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1C[C@@H]1C=C[C@H]([NH3+])C1 ZINC000252646689 350914124 /nfs/dbraw/zinc/91/41/24/350914124.db2.gz SGEAMMWNIPTANT-MXWKQRLJSA-N 2 1 212.362 1.327 10 0 BDAEMP COC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000252824775 350915548 /nfs/dbraw/zinc/91/55/48/350915548.db2.gz DSDXCQGWOAKMAM-NXEZZACHSA-N 2 1 200.326 1.081 10 0 BDAEMP CNC(=[NH2+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000306719110 350880614 /nfs/dbraw/zinc/88/06/14/350880614.db2.gz JXPDSXSQRXXRRK-WCQYABFASA-N 2 1 246.358 1.251 10 0 BDAEMP C[C@H](OCC[N@@H+](C)Cc1ccccc1)C(N)=[NH2+] ZINC000306758921 350969585 /nfs/dbraw/zinc/96/95/85/350969585.db2.gz UTVPJESRWAVGSP-NSHDSACASA-N 2 1 235.331 1.459 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(N)=[NH2+] ZINC000306787458 351037135 /nfs/dbraw/zinc/03/71/35/351037135.db2.gz QNNZTSIULQLLKQ-LBPRGKRZSA-N 2 1 246.358 1.476 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C1C[NH2+]C1 ZINC000306840318 351150299 /nfs/dbraw/zinc/15/02/99/351150299.db2.gz ZMYYPXDXHDFPAY-CYBMUJFWSA-N 2 1 245.370 1.165 10 0 BDAEMP Cc1ccc(F)c([C@H]([NH3+])CC[NH3+])c1F ZINC000306864358 351246260 /nfs/dbraw/zinc/24/62/60/351246260.db2.gz LCDHYQQCTHBVPP-MRVPVSSYSA-N 2 1 200.232 1.622 10 0 BDAEMP CC(C)(C)[N@H+]1CCO[C@H](CC[NH3+])CC1 ZINC000616686458 351257001 /nfs/dbraw/zinc/25/70/01/351257001.db2.gz KZPZDWWWHCWEMZ-SNVBAGLBSA-N 2 1 200.326 1.225 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1c(F)cc(Cl)cc1F ZINC000307019361 351423990 /nfs/dbraw/zinc/42/39/90/351423990.db2.gz UWWRYDTYTNOZFU-QMMMGPOBSA-N 2 1 220.650 1.967 10 0 BDAEMP C[C@H]1SCC[C@H]1[N@@H+](C)C1CC([NH3+])C1 ZINC000307245276 351753196 /nfs/dbraw/zinc/75/31/96/351753196.db2.gz MBGQGVJQQGZIQM-SEZDTBSWSA-N 2 1 200.351 1.302 10 0 BDAEMP CS[C@@H]1CC[N@@H+](C[C@H]2C=C[C@H]([NH3+])C2)C1 ZINC000307254132 351788498 /nfs/dbraw/zinc/78/84/98/351788498.db2.gz WYTSJXAOXYVPJW-GARJFASQSA-N 2 1 212.362 1.327 10 0 BDAEMP C[C@@H]1CCC[N@H+]1CC[C@H]1CSCC[NH2+]1 ZINC000252153514 363179450 /nfs/dbraw/zinc/17/94/50/363179450.db2.gz MWOUROAPROBJBG-MNOVXSKESA-N 2 1 214.378 1.566 10 0 BDAEMP C[NH+](C)CC(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725271803 538104017 /nfs/dbraw/zinc/10/40/17/538104017.db2.gz SYTSMAKMYGTKPE-LLVKDONJSA-N 2 1 233.315 1.133 10 0 BDAEMP C[NH2+]CC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000307437250 352596214 /nfs/dbraw/zinc/59/62/14/352596214.db2.gz QCWIGYMZANYSHE-AWEZNQCLSA-N 2 1 234.343 1.497 10 0 BDAEMP C[NH2+]CC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000307437250 352596217 /nfs/dbraw/zinc/59/62/17/352596217.db2.gz QCWIGYMZANYSHE-AWEZNQCLSA-N 2 1 234.343 1.497 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@H+]1CC[C@H](C[NH3+])C1 ZINC000300351524 352559726 /nfs/dbraw/zinc/55/97/26/352559726.db2.gz BESFMCGULWDRIF-AEJSXWLSSA-N 2 1 200.351 1.161 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000307508435 352627423 /nfs/dbraw/zinc/62/74/23/352627423.db2.gz NJCRPUNLTSXDCE-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000307514917 352631790 /nfs/dbraw/zinc/63/17/90/352631790.db2.gz OYDXYOQZDJADEK-UTLUCORTSA-N 2 1 200.351 1.019 10 0 BDAEMP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000307694130 352970373 /nfs/dbraw/zinc/97/03/73/352970373.db2.gz ZMHVMLMNLXACFD-LPEHRKFASA-N 2 1 200.351 1.222 10 0 BDAEMP COC[C@H](C)[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C ZINC000128393222 353290497 /nfs/dbraw/zinc/29/04/97/353290497.db2.gz XARJPOALGRMONI-MXWKQRLJSA-N 2 1 200.326 1.094 10 0 BDAEMP CC(C)[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000375839893 188251622 /nfs/dbraw/zinc/25/16/22/188251622.db2.gz JUWXEGFOQLUDBK-WDEREUQCSA-N 2 1 207.321 1.832 10 0 BDAEMP C([NH2+][C@@H]1CN2CCC1CC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037648888 188287319 /nfs/dbraw/zinc/28/73/19/188287319.db2.gz GHQGKWAJVVHSTR-SWLSCSKDSA-N 2 1 249.402 1.155 10 0 BDAEMP C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037648888 188287321 /nfs/dbraw/zinc/28/73/21/188287321.db2.gz GHQGKWAJVVHSTR-SWLSCSKDSA-N 2 1 249.402 1.155 10 0 BDAEMP C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037648888 188287323 /nfs/dbraw/zinc/28/73/23/188287323.db2.gz GHQGKWAJVVHSTR-SWLSCSKDSA-N 2 1 249.402 1.155 10 0 BDAEMP CC(C)[N@@H+](CCCO)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000042498983 188294298 /nfs/dbraw/zinc/29/42/98/188294298.db2.gz YCZXUILTYDVNLO-KGLIPLIRSA-N 2 1 242.407 1.987 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CN1CCCC1 ZINC000049330437 188298406 /nfs/dbraw/zinc/29/84/06/188298406.db2.gz IKCVBAYENFLBCY-GFCCVEGCSA-N 2 1 236.363 1.265 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223182973 353319227 /nfs/dbraw/zinc/31/92/27/353319227.db2.gz RSFROWGUWKGZOW-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H]2C)o1 ZINC000052375734 188332517 /nfs/dbraw/zinc/33/25/17/188332517.db2.gz DMIWXSTUCPHGDL-JTQLQIEISA-N 2 1 208.305 1.983 10 0 BDAEMP Cc1[nH+]ccn1-c1ccccc1C(N)=[NH2+] ZINC000020076215 188352398 /nfs/dbraw/zinc/35/23/98/188352398.db2.gz WIPRNBWMFDNVGM-UHFFFAOYSA-N 2 1 200.245 1.465 10 0 BDAEMP CC(C)[C@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCCOCC2)C1 ZINC000061917543 188360076 /nfs/dbraw/zinc/36/00/76/188360076.db2.gz CMYZVSWMWOXTGM-MELADBBJSA-N 2 1 240.391 1.861 10 0 BDAEMP CC(C)[C@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCCOCC2)C1 ZINC000061917543 188360077 /nfs/dbraw/zinc/36/00/77/188360077.db2.gz CMYZVSWMWOXTGM-MELADBBJSA-N 2 1 240.391 1.861 10 0 BDAEMP C[C@H]1C[N@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000630078809 363283578 /nfs/dbraw/zinc/28/35/78/363283578.db2.gz VRUQBEIOUIAJGQ-IUCAKERBSA-N 2 1 211.334 1.170 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000630078809 363283584 /nfs/dbraw/zinc/28/35/84/363283584.db2.gz VRUQBEIOUIAJGQ-IUCAKERBSA-N 2 1 211.334 1.170 10 0 BDAEMP C/C(=C/Cl)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308115865 354016967 /nfs/dbraw/zinc/01/69/67/354016967.db2.gz YJARHYXZPIUHBV-CGVAOTHFSA-N 2 1 200.713 1.280 10 0 BDAEMP C/C(=C/Cl)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308115865 354016970 /nfs/dbraw/zinc/01/69/70/354016970.db2.gz YJARHYXZPIUHBV-CGVAOTHFSA-N 2 1 200.713 1.280 10 0 BDAEMP NC(=[NH2+])CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062031936 181186979 /nfs/dbraw/zinc/18/69/79/181186979.db2.gz XBXBTCIEZGOZOM-UHFFFAOYSA-N 2 1 238.379 1.120 10 0 BDAEMP C[C@]1(NC(N)=[NH2+])CC[N@@H+](Cc2ccccc2)C1 ZINC000405975136 355515826 /nfs/dbraw/zinc/51/58/26/355515826.db2.gz BEUUURVEGHWHJZ-ZDUSSCGKSA-N 2 1 232.331 1.134 10 0 BDAEMP N[C@H]1C=C(c2ccc(Cl)cc2F)C[NH2+]C1 ZINC000675079350 538517939 /nfs/dbraw/zinc/51/79/39/538517939.db2.gz XVTBDVTVHHOGHL-VIFPVBQESA-N 2 1 226.682 1.793 10 0 BDAEMP CSc1ccc(C2=C[C@H]([NH3+])CNC2)cc1 ZINC000675079298 538518192 /nfs/dbraw/zinc/51/81/92/538518192.db2.gz XMSJJVCUMQNPFU-NSHDSACASA-N 2 1 220.341 1.722 10 0 BDAEMP C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)[NH2+]CC1CC1 ZINC000126303569 538532992 /nfs/dbraw/zinc/53/29/92/538532992.db2.gz CLCUXYNUUPVWLA-BETUJISGSA-N 2 1 208.349 1.718 10 0 BDAEMP C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)[NH2+]CC1CC1 ZINC000126303569 538533001 /nfs/dbraw/zinc/53/30/01/538533001.db2.gz CLCUXYNUUPVWLA-BETUJISGSA-N 2 1 208.349 1.718 10 0 BDAEMP Cn1cncc1[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1C1CC1 ZINC000090166654 538592482 /nfs/dbraw/zinc/59/24/82/538592482.db2.gz ZOZIDWDWOURKED-ZWNOBZJWSA-N 2 1 234.347 1.294 10 0 BDAEMP Cn1cncc1[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CC1 ZINC000090166654 538592495 /nfs/dbraw/zinc/59/24/95/538592495.db2.gz ZOZIDWDWOURKED-ZWNOBZJWSA-N 2 1 234.347 1.294 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCSC2)C1 ZINC000160582666 357089881 /nfs/dbraw/zinc/08/98/81/357089881.db2.gz PMEOMYDYBCTODR-IVZWLZJFSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000685947058 538888660 /nfs/dbraw/zinc/88/86/60/538888660.db2.gz ZSAIEFIAYQBLSM-STQMWFEESA-N 2 1 204.317 1.789 10 0 BDAEMP CC[C@H]1COCC[N@@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950617 538893980 /nfs/dbraw/zinc/89/39/80/538893980.db2.gz BRBJKVKNQGHQBQ-QNWHQSFQSA-N 2 1 226.364 1.341 10 0 BDAEMP CC[C@H]1COCC[N@H+]1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950617 538893981 /nfs/dbraw/zinc/89/39/81/538893981.db2.gz BRBJKVKNQGHQBQ-QNWHQSFQSA-N 2 1 226.364 1.341 10 0 BDAEMP CO[C@@H]1CCC[N@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951388 538894716 /nfs/dbraw/zinc/89/47/16/538894716.db2.gz RUUZHICKVWVEAJ-SDDRHHMPSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CC[C@H](F)C1 ZINC000685951443 538895294 /nfs/dbraw/zinc/89/52/94/538895294.db2.gz UPESPTKIXYWYQG-BBBLOLIVSA-N 2 1 200.301 1.274 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CC[C@H](F)C1 ZINC000685951443 538895297 /nfs/dbraw/zinc/89/52/97/538895297.db2.gz UPESPTKIXYWYQG-BBBLOLIVSA-N 2 1 200.301 1.274 10 0 BDAEMP CCOC(=O)CCCCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233974566 357764160 /nfs/dbraw/zinc/76/41/60/357764160.db2.gz LGYZXKGNQJGXRM-RYUDHWBXSA-N 2 1 242.363 1.389 10 0 BDAEMP CCOC(=O)CCCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233974337 357764327 /nfs/dbraw/zinc/76/43/27/357764327.db2.gz LGYZXKGNQJGXRM-NEPJUHHUSA-N 2 1 242.363 1.389 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639939263 357946567 /nfs/dbraw/zinc/94/65/67/357946567.db2.gz BIYJUROKJPAZLQ-DGCLKSJQSA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639939263 357946570 /nfs/dbraw/zinc/94/65/70/357946570.db2.gz BIYJUROKJPAZLQ-DGCLKSJQSA-N 2 1 237.347 1.427 10 0 BDAEMP CCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903209 134283627 /nfs/dbraw/zinc/28/36/27/134283627.db2.gz IFBMWPLRMOPKIR-AWEZNQCLSA-N 2 1 239.407 1.498 10 0 BDAEMP CCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903209 134283628 /nfs/dbraw/zinc/28/36/28/134283628.db2.gz IFBMWPLRMOPKIR-AWEZNQCLSA-N 2 1 239.407 1.498 10 0 BDAEMP C[C@H]([NH3+])CC[N@H+]1CCSC(C)(C)CC1 ZINC000231052048 358578847 /nfs/dbraw/zinc/57/88/47/358578847.db2.gz KGPUPMGVMXMBEY-JTQLQIEISA-N 2 1 216.394 1.941 10 0 BDAEMP CCCC[C@@H](C[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000130512895 358630372 /nfs/dbraw/zinc/63/03/72/358630372.db2.gz HCWGHEJDFGKDEK-JTQLQIEISA-N 2 1 237.351 1.472 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1[C@H]1CCS[C@@H]1C ZINC000300353326 358971240 /nfs/dbraw/zinc/97/12/40/358971240.db2.gz WJHLQBSDOBGOST-VWYCJHECSA-N 2 1 214.378 1.564 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+]1[C@H]1CCS[C@@H]1C ZINC000300353326 358971245 /nfs/dbraw/zinc/97/12/45/358971245.db2.gz WJHLQBSDOBGOST-VWYCJHECSA-N 2 1 214.378 1.564 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CCS[C@H]2C)C1 ZINC000300352636 358972045 /nfs/dbraw/zinc/97/20/45/358972045.db2.gz NUVNSEYXCDPTPV-HBNTYKKESA-N 2 1 214.378 1.564 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2CCS[C@H]2C)C1 ZINC000300352636 358972047 /nfs/dbraw/zinc/97/20/47/358972047.db2.gz NUVNSEYXCDPTPV-HBNTYKKESA-N 2 1 214.378 1.564 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H]1COC(C)(C)[C@H]1[NH3+] ZINC000306248677 359445856 /nfs/dbraw/zinc/44/58/56/359445856.db2.gz XQUAPWNUMWQDMK-ZJUUUORDSA-N 2 1 200.326 1.079 10 0 BDAEMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cc[nH]c2)C1 ZINC000309049453 491143396 /nfs/dbraw/zinc/14/33/96/491143396.db2.gz QAHXJOFZPZOGKM-PWSUYJOCSA-N 2 1 207.321 1.445 10 0 BDAEMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cc[nH]c2)C1 ZINC000309049453 491143397 /nfs/dbraw/zinc/14/33/97/491143397.db2.gz QAHXJOFZPZOGKM-PWSUYJOCSA-N 2 1 207.321 1.445 10 0 BDAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(O)C1C[NH2+]C1 ZINC000306398797 359766406 /nfs/dbraw/zinc/76/64/06/359766406.db2.gz MOJSAPUHJFRHIC-WFASDCNBSA-N 2 1 246.354 1.231 10 0 BDAEMP C[C@@H]1C[C@@]2(COC(=[NH2+])N2)C[N@H+]1Cc1ccccc1 ZINC000306565392 360444468 /nfs/dbraw/zinc/44/44/68/360444468.db2.gz YBPXZGYMVAXPEW-RISCZKNCSA-N 2 1 245.326 1.365 10 0 BDAEMP C[C@H]1CSCC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC000069761863 360421509 /nfs/dbraw/zinc/42/15/09/360421509.db2.gz VQSPBDVAJFBPSG-WDEREUQCSA-N 2 1 214.378 1.566 10 0 BDAEMP O[C@]1([C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306599393 360520864 /nfs/dbraw/zinc/52/08/64/360520864.db2.gz YMVQPRCIHLYPPQ-HUUCEWRRSA-N 2 1 246.354 1.375 10 0 BDAEMP C[C@H]1C[N@H+](CC2(C)C[NH2+]C2)CCS1 ZINC000306631868 361363193 /nfs/dbraw/zinc/36/31/93/361363193.db2.gz DSDCMYSPNIAGPK-VIFPVBQESA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@H]1C[N@@H+](CC2(C)C[NH2+]C2)CCS1 ZINC000306631868 361363198 /nfs/dbraw/zinc/36/31/98/361363198.db2.gz DSDCMYSPNIAGPK-VIFPVBQESA-N 2 1 200.351 1.033 10 0 BDAEMP CC1(C)CC[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309813474 491157068 /nfs/dbraw/zinc/15/70/68/491157068.db2.gz UTSHNKRRTPXIKR-WDEREUQCSA-N 2 1 219.332 1.976 10 0 BDAEMP CO[C@H]1C[N@H+](CCCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356822 364077880 /nfs/dbraw/zinc/07/78/80/364077880.db2.gz BASGBNWXVAHBDQ-CHWSQXEVSA-N 2 1 244.379 1.240 10 0 BDAEMP CO[C@H]1C[N@@H+](CCCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356822 364077884 /nfs/dbraw/zinc/07/78/84/364077884.db2.gz BASGBNWXVAHBDQ-CHWSQXEVSA-N 2 1 244.379 1.240 10 0 BDAEMP C=Cc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH3+])cc1 ZINC000725241575 541329872 /nfs/dbraw/zinc/32/98/72/541329872.db2.gz ZSGISOJMFBOCIA-QWHCGFSZSA-N 2 1 202.301 1.734 10 0 BDAEMP CO[C@H]1C[N@@H+](CC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630365889 364083725 /nfs/dbraw/zinc/08/37/25/364083725.db2.gz WQTXSQJQBQMOJH-VXGBXAGGSA-N 2 1 212.337 1.225 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630365887 364083739 /nfs/dbraw/zinc/08/37/39/364083739.db2.gz WQTXSQJQBQMOJH-NWDGAFQWSA-N 2 1 212.337 1.225 10 0 BDAEMP C[NH2+]CCOCCN(C)c1cccc(C)[nH+]1 ZINC000630530749 364220626 /nfs/dbraw/zinc/22/06/26/364220626.db2.gz OHZUDHSLKVDMGI-UHFFFAOYSA-N 2 1 223.320 1.062 10 0 BDAEMP Cc1cc(N2CCCCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000630549028 364242341 /nfs/dbraw/zinc/24/23/41/364242341.db2.gz HGWADNYNXPGWFM-LBPRGKRZSA-N 2 1 234.347 1.801 10 0 BDAEMP [NH3+]CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000033605101 181382553 /nfs/dbraw/zinc/38/25/53/181382553.db2.gz KXYFFNDOPAVXHZ-UHFFFAOYSA-N 2 1 247.386 1.589 10 0 BDAEMP [NH3+]CCCNC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000022130263 181382895 /nfs/dbraw/zinc/38/28/95/181382895.db2.gz NQHIUYWZQHNXMV-QWHCGFSZSA-N 2 1 225.380 1.189 10 0 BDAEMP [NH3+]CCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000022130263 181382897 /nfs/dbraw/zinc/38/28/97/181382897.db2.gz NQHIUYWZQHNXMV-QWHCGFSZSA-N 3 1 225.380 1.189 10 0 BDAEMP [NH3+]CCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000022130263 181382899 /nfs/dbraw/zinc/38/28/99/181382899.db2.gz NQHIUYWZQHNXMV-QWHCGFSZSA-N 3 1 225.380 1.189 10 0 BDAEMP [NH3+]CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000037712828 181396334 /nfs/dbraw/zinc/39/63/34/181396334.db2.gz MCDCXRPXGPCQNH-UHFFFAOYSA-N 2 1 208.280 1.620 10 0 BDAEMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000384268871 367680124 /nfs/dbraw/zinc/68/01/24/367680124.db2.gz RANWQUABLHVIKD-DTWKUNHWSA-N 2 1 226.349 1.206 10 0 BDAEMP CCc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)nc(C)[nH+]1 ZINC000384955223 367764014 /nfs/dbraw/zinc/76/40/14/367764014.db2.gz CGEYQZFJFQQWRC-WPRPVWTQSA-N 2 1 220.320 1.273 10 0 BDAEMP C[C@H](C[N@H+]1CCS[C@H](C)[C@H]1C)C(N)=[NH2+] ZINC000253080387 368472783 /nfs/dbraw/zinc/47/27/83/368472783.db2.gz VKMLZBJAIIZLSM-IWSPIJDZSA-N 2 1 215.366 1.384 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631837767 369101732 /nfs/dbraw/zinc/10/17/32/369101732.db2.gz WRMIZCRVWIEOLT-GRYCIOLGSA-N 2 1 212.337 1.082 10 0 BDAEMP Cc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccn1 ZINC000621775217 370521215 /nfs/dbraw/zinc/52/12/15/370521215.db2.gz IVEIOWZYTCHNGU-CQSZACIVSA-N 2 1 233.359 1.964 10 0 BDAEMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccn1 ZINC000621775217 370521218 /nfs/dbraw/zinc/52/12/18/370521218.db2.gz IVEIOWZYTCHNGU-CQSZACIVSA-N 2 1 233.359 1.964 10 0 BDAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000133223382 372009169 /nfs/dbraw/zinc/00/91/69/372009169.db2.gz GCWLIGABENQVFP-XWLWVQCSSA-N 2 1 200.326 1.221 10 0 BDAEMP C[C@H]1CCSCC[N@@H+]1C1(C[NH3+])CC1 ZINC000307456295 372122474 /nfs/dbraw/zinc/12/24/74/372122474.db2.gz FOXSVPCMMYPHOH-VIFPVBQESA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1CCSCC[N@H+]1C1(C[NH3+])CC1 ZINC000307456295 372122479 /nfs/dbraw/zinc/12/24/79/372122479.db2.gz FOXSVPCMMYPHOH-VIFPVBQESA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1C[NH3+] ZINC000631838269 372631334 /nfs/dbraw/zinc/63/13/34/372631334.db2.gz LIUJMOWURSBIFE-KGLIPLIRSA-N 3 1 239.407 1.389 10 0 BDAEMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1C[NH3+] ZINC000631838269 372631339 /nfs/dbraw/zinc/63/13/39/372631339.db2.gz LIUJMOWURSBIFE-KGLIPLIRSA-N 3 1 239.407 1.389 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000631839068 372633913 /nfs/dbraw/zinc/63/39/13/372633913.db2.gz ZKLOXPIAMNSWPL-JQWIXIFHSA-N 2 1 222.307 1.852 10 0 BDAEMP CC(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151268508 206063930 /nfs/dbraw/zinc/06/39/30/206063930.db2.gz FJKHTWHJHKEPAO-QWHCGFSZSA-N 2 1 228.380 1.467 10 0 BDAEMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCC1 ZINC000111393735 183030398 /nfs/dbraw/zinc/03/03/98/183030398.db2.gz KSMRUNUPRHCKHC-PBWFPOADSA-N 2 1 238.375 1.460 10 0 BDAEMP CCCC[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000042392016 169002154 /nfs/dbraw/zinc/00/21/54/169002154.db2.gz QNHSSAWLGZEJLI-CQSZACIVSA-N 2 1 241.423 1.778 10 0 BDAEMP CCC[N@H+](C(C)C)[C@H]1COCC[C@@H]1[NH3+] ZINC000036305395 169048795 /nfs/dbraw/zinc/04/87/95/169048795.db2.gz BAHNGKGZYRNBMS-QWRGUYRKSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC[N@@H+](C(C)C)[C@H]1COCC[C@@H]1[NH3+] ZINC000036305395 169048796 /nfs/dbraw/zinc/04/87/96/169048796.db2.gz BAHNGKGZYRNBMS-QWRGUYRKSA-N 2 1 200.326 1.223 10 0 BDAEMP CCC[N@@H+](CC(=O)NC)Cc1ccccc1C[NH3+] ZINC000042404185 169095434 /nfs/dbraw/zinc/09/54/34/169095434.db2.gz BXEUEWWGDBBOCC-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCCN1CC[NH+]([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037157881 169205803 /nfs/dbraw/zinc/20/58/03/169205803.db2.gz HLDHSCJGRDNIPD-STQMWFEESA-N 2 1 225.380 1.141 10 0 BDAEMP CCC[N@@H+]1CCc2nc(C[NH2+]C)sc2C1 ZINC000053294029 169209159 /nfs/dbraw/zinc/20/91/59/169209159.db2.gz VHUJYSAXEBUIMP-UHFFFAOYSA-N 2 1 225.361 1.631 10 0 BDAEMP CCC[N@H+]1CCc2nc(C[NH2+]C)sc2C1 ZINC000053294029 169209160 /nfs/dbraw/zinc/20/91/60/169209160.db2.gz VHUJYSAXEBUIMP-UHFFFAOYSA-N 2 1 225.361 1.631 10 0 BDAEMP CCC[NH2+]CCCC[N@H+]1CCC[C@H]1CN(C)C ZINC000061654684 169256672 /nfs/dbraw/zinc/25/66/72/169256672.db2.gz UAZDMEBDFCIBLE-AWEZNQCLSA-N 2 1 241.423 1.792 10 0 BDAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](CCCC[NH+](C)C)C1 ZINC000053034558 169262341 /nfs/dbraw/zinc/26/23/41/169262341.db2.gz JKPMTPRFDZPJKH-AWEZNQCLSA-N 3 1 241.423 1.650 10 0 BDAEMP CCC[NH2+]C[C@@](C)(CCC)C[N@H+]1CC[C@H](O)C1 ZINC000061711740 169263943 /nfs/dbraw/zinc/26/39/43/169263943.db2.gz FFDBZOGHHPOQTO-UONOGXRCSA-N 2 1 242.407 1.859 10 0 BDAEMP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](CC)CCO ZINC000053858512 169282471 /nfs/dbraw/zinc/28/24/71/169282471.db2.gz ZBQPPKUBDOXSCS-UONOGXRCSA-N 2 1 242.407 1.859 10 0 BDAEMP CCC[NH2+][C@@H]1CCN([C@@H]2CC[N@H+]3CCC[C@H]23)C1 ZINC000049568634 169283273 /nfs/dbraw/zinc/28/32/73/169283273.db2.gz KBCUWPVQKAXOFX-MGPQQGTHSA-N 2 1 237.391 1.297 10 0 BDAEMP CCC[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C(C)C ZINC000049287590 169367354 /nfs/dbraw/zinc/36/73/54/169367354.db2.gz FDFVPMLDZUVVPE-GFCCVEGCSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[C@@H](C)NC(=O)C[N@@H+](CCC[NH3+])C(C)C ZINC000049287590 169367355 /nfs/dbraw/zinc/36/73/55/169367355.db2.gz FDFVPMLDZUVVPE-GFCCVEGCSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371480879 169494213 /nfs/dbraw/zinc/49/42/13/169494213.db2.gz RRLULBBKXOAGGM-WDEREUQCSA-N 2 1 207.321 1.976 10 0 BDAEMP c1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC000068576375 383999667 /nfs/dbraw/zinc/99/96/67/383999667.db2.gz WMBIHXDBQAGHSA-CYBMUJFWSA-N 2 1 216.328 1.728 10 0 BDAEMP Cc1ccc(N(C)C[C@H]2CCC[NH2+]C2)[nH+]c1 ZINC000095071069 384339071 /nfs/dbraw/zinc/33/90/71/384339071.db2.gz GCWRYAUDKPVCIQ-LBPRGKRZSA-N 2 1 219.332 1.826 10 0 BDAEMP [NH3+]C[C@H]1CC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000335583375 384346766 /nfs/dbraw/zinc/34/67/66/384346766.db2.gz WODALGJGUCMNIC-IUCAKERBSA-N 2 1 225.723 1.696 10 0 BDAEMP c1cc(C[NH2+]C[C@H]2CC[NH2+]C2)c2c(c1)OCCO2 ZINC000398278666 384881306 /nfs/dbraw/zinc/88/13/06/384881306.db2.gz CNGMLVOCINDHIJ-NSHDSACASA-N 2 1 248.326 1.157 10 0 BDAEMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000177244902 384928585 /nfs/dbraw/zinc/92/85/85/384928585.db2.gz KNORBRWBRRFRHH-WCQYABFASA-N 2 1 226.364 1.221 10 0 BDAEMP C[NH+](C)[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000176918698 385157105 /nfs/dbraw/zinc/15/71/05/385157105.db2.gz KEMRJSCEHIQQBQ-SECBINFHSA-N 2 1 225.723 1.875 10 0 BDAEMP [NH3+]C[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000044528081 385308522 /nfs/dbraw/zinc/30/85/22/385308522.db2.gz AUSQBAHHDALNEV-SNVBAGLBSA-N 2 1 214.378 1.553 10 0 BDAEMP CC(C)(C)[N@H+]1CCOC2(C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000409429217 385328685 /nfs/dbraw/zinc/32/86/85/385328685.db2.gz FOPOFNRLKGSPKE-ONXXMXGDSA-N 2 1 238.375 1.770 10 0 BDAEMP Cc1c[nH+]c(C[C@H]2CC[NH2+]C2)n1CC1CC1 ZINC000169676758 385416736 /nfs/dbraw/zinc/41/67/36/385416736.db2.gz HKSRFCXXYNMXJV-GFCCVEGCSA-N 2 1 219.332 1.754 10 0 BDAEMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@H]1CCSC1)CC2 ZINC000309594582 385718600 /nfs/dbraw/zinc/71/86/00/385718600.db2.gz HZUZXMFMUXGTHH-MNOVXSKESA-N 2 1 237.372 1.541 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cncs1)C2 ZINC000309623483 385748806 /nfs/dbraw/zinc/74/88/06/385748806.db2.gz PORQOXCELUNBJB-VIFPVBQESA-N 2 1 234.328 1.444 10 0 BDAEMP c1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c[nH]1 ZINC000309650910 385769214 /nfs/dbraw/zinc/76/92/14/385769214.db2.gz XUZAFMMRWRKKQZ-NSHDSACASA-N 2 1 216.288 1.316 10 0 BDAEMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000335045006 385939286 /nfs/dbraw/zinc/93/92/86/385939286.db2.gz WZUZBTMAPPGTDW-CQSZACIVSA-N 2 1 216.328 1.353 10 0 BDAEMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CC1(C)C ZINC000414080611 385952942 /nfs/dbraw/zinc/95/29/42/385952942.db2.gz DIFMPAMXTYLJIL-UTUOFQBUSA-N 2 1 228.380 1.323 10 0 BDAEMP C[C@H](C[NH2+][C@@H](C)c1cncs1)C[NH+](C)C ZINC000293338586 386816045 /nfs/dbraw/zinc/81/60/45/386816045.db2.gz GLHPESFARXANIO-ZJUUUORDSA-N 2 1 227.377 1.991 10 0 BDAEMP CC[N@@H+](C)[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000302765625 386937405 /nfs/dbraw/zinc/93/74/05/386937405.db2.gz LKFVAVDGWRSSQO-GFCCVEGCSA-N 2 1 246.358 1.884 10 0 BDAEMP CC[C@@H]1CS[C@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575575811 387004536 /nfs/dbraw/zinc/00/45/36/387004536.db2.gz NTCSWBWHMKXVBZ-ZJUUUORDSA-N 2 1 200.351 1.571 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1[C@@H]1CCCSC1 ZINC000575590995 387204540 /nfs/dbraw/zinc/20/45/40/387204540.db2.gz IOYITDIOMCNVOG-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1[C@@H]1CCCSC1 ZINC000575590995 387204543 /nfs/dbraw/zinc/20/45/43/387204543.db2.gz IOYITDIOMCNVOG-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP O[C@]1(C2C[NH2+]C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000306493010 387217157 /nfs/dbraw/zinc/21/71/57/387217157.db2.gz YKEMCNPFJJXPJU-OAHLLOKOSA-N 2 1 246.354 1.233 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643464302 387361400 /nfs/dbraw/zinc/36/14/00/387361400.db2.gz UOJSQUIPFZRCNF-MELADBBJSA-N 2 1 241.423 1.694 10 0 BDAEMP C[C@@H]1CS[C@@]2(CC[NH2+]C(C)(C)C2)[NH2+]1 ZINC000575512889 387385565 /nfs/dbraw/zinc/38/55/65/387385565.db2.gz UUVSYVBUBWCCJH-PSASIEDQSA-N 2 1 200.351 1.570 10 0 BDAEMP Cc1noc(C)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000045949202 387513256 /nfs/dbraw/zinc/51/32/56/387513256.db2.gz ONHRKRXZTOAIAX-NSHDSACASA-N 2 1 223.320 1.381 10 0 BDAEMP C[C@@H]1C[NH+](C/C=C/Cl)C[C@@H](C)C1[NH3+] ZINC000575526850 387531190 /nfs/dbraw/zinc/53/11/90/387531190.db2.gz ZSEOENUUHBVPGT-HUGTUPKYSA-N 2 1 202.729 1.654 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1cscn1 ZINC000643512562 387596416 /nfs/dbraw/zinc/59/64/16/387596416.db2.gz ZHXMUIDUBVPHRJ-GUBZILKMSA-N 2 1 225.361 1.921 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422717114 387631267 /nfs/dbraw/zinc/63/12/67/387631267.db2.gz OGIVESAQWRURFA-DGCLKSJQSA-N 2 1 227.396 1.160 10 0 BDAEMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129242851 387765912 /nfs/dbraw/zinc/76/59/12/387765912.db2.gz JTFSAXRPFLLPIT-KBPBESRZSA-N 3 1 239.407 1.450 10 0 BDAEMP CC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151310589 387815323 /nfs/dbraw/zinc/81/53/23/387815323.db2.gz FJTSZYNZXUKCES-NWDGAFQWSA-N 2 1 214.353 1.221 10 0 BDAEMP CC(C)[NH2+]CCCNc1[nH+]cnc2[nH]ccc21 ZINC000582775838 387910180 /nfs/dbraw/zinc/91/01/80/387910180.db2.gz OOJFABZJWMDBAR-UHFFFAOYSA-N 2 1 233.319 1.710 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H]([NH3+])C1 ZINC000071509208 388096354 /nfs/dbraw/zinc/09/63/54/388096354.db2.gz SUEVMBMZZZPHAP-QWHCGFSZSA-N 2 1 204.317 1.998 10 0 BDAEMP CC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000059394565 388395623 /nfs/dbraw/zinc/39/56/23/388395623.db2.gz YAXQFMWHBFCHMM-STQMWFEESA-N 2 1 204.317 1.856 10 0 BDAEMP CC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000059394565 388395628 /nfs/dbraw/zinc/39/56/28/388395628.db2.gz YAXQFMWHBFCHMM-STQMWFEESA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000300984900 388396534 /nfs/dbraw/zinc/39/65/34/388396534.db2.gz SNNITBVOBHPVAZ-BBBLOLIVSA-N 2 1 218.291 1.701 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000300984900 388396538 /nfs/dbraw/zinc/39/65/38/388396538.db2.gz SNNITBVOBHPVAZ-BBBLOLIVSA-N 2 1 218.291 1.701 10 0 BDAEMP COC[C@H](C(C)C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000393813506 388443106 /nfs/dbraw/zinc/44/31/06/388443106.db2.gz DBPQGUXXKTYDDE-JHJVBQTASA-N 2 1 228.380 1.574 10 0 BDAEMP CSC1(C[NH2+][C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000368566194 388569555 /nfs/dbraw/zinc/56/95/55/388569555.db2.gz HETZLPOMSWSZCF-JTQLQIEISA-N 2 1 237.372 1.683 10 0 BDAEMP Cc1[nH+]ccn1-c1ccc(C[NH3+])c(C)c1 ZINC000050585154 177696815 /nfs/dbraw/zinc/69/68/15/177696815.db2.gz VAZNGSQANFRVDA-UHFFFAOYSA-N 2 1 201.273 1.948 10 0 BDAEMP CC1C[NH+]([C@]2(C[NH3+])CCS[C@@H]2C)C1 ZINC000575462958 388828485 /nfs/dbraw/zinc/82/84/85/388828485.db2.gz QMQWYOOWRFRSIG-ZJUUUORDSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000002034279 132308649 /nfs/dbraw/zinc/30/86/49/132308649.db2.gz WHWDLTBBQLJYCJ-ZCFIWIBFSA-N 2 1 237.694 1.135 10 0 BDAEMP Cc1ccc(N2CCC(C[NH3+])CC2)[nH+]c1 ZINC000044514702 132354421 /nfs/dbraw/zinc/35/44/21/132354421.db2.gz HSKQJFDLWYYASF-UHFFFAOYSA-N 2 1 205.305 1.565 10 0 BDAEMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417308 132362121 /nfs/dbraw/zinc/36/21/21/132362121.db2.gz QROKAWNVMJHCNW-AWEZNQCLSA-N 2 1 247.386 1.807 10 0 BDAEMP Cc1ccc[nH+]c1N1CCC(CC[NH3+])CC1 ZINC000053705640 132363456 /nfs/dbraw/zinc/36/34/56/132363456.db2.gz ZWVVNCLPVYZMFM-UHFFFAOYSA-N 2 1 219.332 1.955 10 0 BDAEMP CC(C)CCNC(=O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557073 166845705 /nfs/dbraw/zinc/84/57/05/166845705.db2.gz CVVRGMMGKAZPRW-LBPRGKRZSA-N 2 1 243.395 1.079 10 0 BDAEMP CC(C)[NH2+]CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167522607 134002441 /nfs/dbraw/zinc/00/24/41/134002441.db2.gz MRARUHCXXPXOHV-ZIAGYGMSSA-N 2 1 239.407 1.401 10 0 BDAEMP C[N@H+]1CCC[C@H]2C[NH+](C3CCC3)CC[C@@H]21 ZINC000179586628 134321835 /nfs/dbraw/zinc/32/18/35/134321835.db2.gz DAHQLXBLVVDNQD-AAEUAGOBSA-N 2 1 208.349 1.955 10 0 BDAEMP CCC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183870918 134356859 /nfs/dbraw/zinc/35/68/59/134356859.db2.gz ZFTHNAAVHMWNDL-WVMKXHBISA-N 2 1 226.364 1.362 10 0 BDAEMP CCSCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000133773796 134691045 /nfs/dbraw/zinc/69/10/45/134691045.db2.gz LNBGVGGYQGSZBM-UWVGGRQHSA-N 2 1 202.367 1.470 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@H]12 ZINC000261540386 135179237 /nfs/dbraw/zinc/17/92/37/135179237.db2.gz ABGSWHXDBBNZJO-WCFLWFBJSA-N 2 1 235.306 1.390 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]12 ZINC000261540386 135179238 /nfs/dbraw/zinc/17/92/38/135179238.db2.gz ABGSWHXDBBNZJO-WCFLWFBJSA-N 2 1 235.306 1.390 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261582400 135223585 /nfs/dbraw/zinc/22/35/85/135223585.db2.gz RDQUMQPTINBFQJ-CIUDSAMLSA-N 2 1 248.330 1.243 10 0 BDAEMP C(CC1CC1)[NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261873321 135258992 /nfs/dbraw/zinc/25/89/92/135258992.db2.gz DKHDHUPQHNHGDO-RDBSUJKOSA-N 2 1 238.375 1.533 10 0 BDAEMP NCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000262964296 135324936 /nfs/dbraw/zinc/32/49/36/135324936.db2.gz LAKYMPCIIAQXNP-KBPBESRZSA-N 2 1 234.343 1.533 10 0 BDAEMP C(C1CCOCC1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299892949 135380857 /nfs/dbraw/zinc/38/08/57/135380857.db2.gz FYQDJCQDTVUZDS-OLZOCXBDSA-N 2 1 224.348 1.097 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000575592334 397990746 /nfs/dbraw/zinc/99/07/46/397990746.db2.gz SYUVIKQVJRGTGP-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000575592334 397990750 /nfs/dbraw/zinc/99/07/50/397990750.db2.gz SYUVIKQVJRGTGP-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP CC(C)[N@H+]1CC[C@H](N2CCC[C@H](C[NH3+])C2)C1 ZINC000045659845 167025453 /nfs/dbraw/zinc/02/54/53/167025453.db2.gz CIAZSSCRJXBTME-OLZOCXBDSA-N 2 1 225.380 1.140 10 0 BDAEMP CC(C)[N@@H+]1CCc2nc(C[C@@H](C)[NH3+])sc2C1 ZINC000054161021 167027496 /nfs/dbraw/zinc/02/74/96/167027496.db2.gz WVBYYHQOUOQVIE-SECBINFHSA-N 2 1 239.388 1.799 10 0 BDAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000309641635 167105507 /nfs/dbraw/zinc/10/55/07/167105507.db2.gz UTBBOGKLZNWTOU-OLZOCXBDSA-N 2 1 226.364 1.343 10 0 BDAEMP CC(C)[NH2+]CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000309641635 167105511 /nfs/dbraw/zinc/10/55/11/167105511.db2.gz UTBBOGKLZNWTOU-OLZOCXBDSA-N 2 1 226.364 1.343 10 0 BDAEMP CC(C)OCC[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000062614061 167230750 /nfs/dbraw/zinc/23/07/50/167230750.db2.gz WZQCAJLJLWMIMZ-CYBMUJFWSA-N 2 1 228.380 1.731 10 0 BDAEMP CC(C)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000306300619 487607576 /nfs/dbraw/zinc/60/75/76/487607576.db2.gz HQJFQLRRLRDYEF-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000306300619 487607584 /nfs/dbraw/zinc/60/75/84/487607584.db2.gz HQJFQLRRLRDYEF-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[N@H+]1CCc2nc([C@H](C)C[NH3+])sc2C1 ZINC000054158374 167027630 /nfs/dbraw/zinc/02/76/30/167027630.db2.gz VZEQVSXCNWLRNF-SECBINFHSA-N 2 1 239.388 1.972 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000053031289 167115641 /nfs/dbraw/zinc/11/56/41/167115641.db2.gz VVNKFLMUDSXMJP-GFCCVEGCSA-N 2 1 226.364 1.485 10 0 BDAEMP CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000049260921 167237424 /nfs/dbraw/zinc/23/74/24/167237424.db2.gz STIGJBASBIYDDB-YOGCLGLASA-N 2 1 212.337 1.366 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC000381043877 411284283 /nfs/dbraw/zinc/28/42/83/411284283.db2.gz CUGJXNQVHOKRKW-WYUUTHIRSA-N 2 1 219.332 1.832 10 0 BDAEMP [NH3+]CC12CC(C1)CN2c1cc[nH+]cc1Cl ZINC000656611633 411309979 /nfs/dbraw/zinc/30/99/79/411309979.db2.gz DMJKUDNRYAXHGS-UHFFFAOYSA-N 2 1 223.707 1.663 10 0 BDAEMP CC1CCC([N@H+](C)[C@H]2COCC[C@@H]2[NH3+])CC1 ZINC000042487665 168159033 /nfs/dbraw/zinc/15/90/33/168159033.db2.gz TUONTXOLZJYWOC-TYUFSLCMSA-N 2 1 226.364 1.613 10 0 BDAEMP CC1CCC([N@@H+](C)[C@H]2COCC[C@@H]2[NH3+])CC1 ZINC000042487665 168159036 /nfs/dbraw/zinc/15/90/36/168159036.db2.gz TUONTXOLZJYWOC-TYUFSLCMSA-N 2 1 226.364 1.613 10 0 BDAEMP CC[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000122923816 411436864 /nfs/dbraw/zinc/43/68/64/411436864.db2.gz RSHYAHAEOHDNQR-MNOVXSKESA-N 2 1 249.362 1.106 10 0 BDAEMP CC[C@H]1CN(c2cccc(C)[nH+]2)CC[C@@H]1[NH3+] ZINC000122968104 411437742 /nfs/dbraw/zinc/43/77/42/411437742.db2.gz YFGMBFXCVISTPZ-RYUDHWBXSA-N 2 1 219.332 1.954 10 0 BDAEMP CC[N@H+]1CC[C@H](CNC2=[NH+][C@H](C)CS2)C1 ZINC000037484501 170015293 /nfs/dbraw/zinc/01/52/93/170015293.db2.gz FUTCQKGCFCKXMF-NXEZZACHSA-N 2 1 227.377 1.409 10 0 BDAEMP CC[NH2+]CC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063124136 170117409 /nfs/dbraw/zinc/11/74/09/170117409.db2.gz GBPHZGHZPCTZOS-ZDUSSCGKSA-N 3 1 241.423 1.648 10 0 BDAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C[C@@H]2C[C@@H]2C)O1 ZINC000104423857 170123419 /nfs/dbraw/zinc/12/34/19/170123419.db2.gz SOOBHGPHHOCYQJ-FQUUOJAGSA-N 2 1 240.391 1.731 10 0 BDAEMP CC[NH2+]Cc1cn(CC[N@@H+](C)[C@H](C)CC)nn1 ZINC000052444170 170129711 /nfs/dbraw/zinc/12/97/11/170129711.db2.gz BSBFNJAIEDCETJ-LLVKDONJSA-N 2 1 239.367 1.118 10 0 BDAEMP CC[NH2+][C@@H](CC[N@H+](CC(C)C)C(C)C)C(N)=O ZINC000062525285 170145223 /nfs/dbraw/zinc/14/52/23/170145223.db2.gz NZCGMOYOBGZZFC-LBPRGKRZSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[NH2+][C@@H](CC[N@@H+](CC(C)C)C(C)C)C(N)=O ZINC000062525285 170145224 /nfs/dbraw/zinc/14/52/24/170145224.db2.gz NZCGMOYOBGZZFC-LBPRGKRZSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[NH2+][C@H](C)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000082477901 170157099 /nfs/dbraw/zinc/15/70/99/170157099.db2.gz AXPHKWIYYRJFMB-VXGBXAGGSA-N 2 1 213.369 1.010 10 0 BDAEMP CC[NH2+][C@H](C)[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940536 170158549 /nfs/dbraw/zinc/15/85/49/170158549.db2.gz NLXKLYGMYQMCPH-HZSPNIEDSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@@H]1CC[C@@H](Nc2cc[nH+]c(N(C)C)n2)C[NH2+]1 ZINC000630533810 411838525 /nfs/dbraw/zinc/83/85/25/411838525.db2.gz RRDLMAVVMCSHLW-NXEZZACHSA-N 2 1 235.335 1.095 10 0 BDAEMP CC[C@@H]1CCN([C@@H]2CC[N@H+]3CCC[C@H]23)CC[NH2+]1 ZINC000049662487 171013746 /nfs/dbraw/zinc/01/37/46/171013746.db2.gz XJBGXEOOTZXELM-MGPQQGTHSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[C@H](C)[N@@H+](CCOC)C[C@H](O)C[NH2+]C(C)C ZINC000042580666 171315811 /nfs/dbraw/zinc/31/58/11/171315811.db2.gz JMPIVJIYDQFOLX-QWHCGFSZSA-N 2 1 246.395 1.092 10 0 BDAEMP CC[C@H](C)[C@@H](CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042391920 171368619 /nfs/dbraw/zinc/36/86/19/171368619.db2.gz TULZJQWXSLQOKV-GXTWGEPZSA-N 2 1 241.423 1.633 10 0 BDAEMP CCn1cc[nH+]c1N1CCC[C@@H]([NH2+]C)C1 ZINC000053204981 172226381 /nfs/dbraw/zinc/22/63/81/172226381.db2.gz GOHMVCSCWXELFP-SNVBAGLBSA-N 2 1 208.309 1.091 10 0 BDAEMP C[N@@H+]1CCCC[C@H]1CNC1=[NH+]CCS1 ZINC000044563789 173010158 /nfs/dbraw/zinc/01/01/58/173010158.db2.gz GTZBDVFGWZDXCH-VIFPVBQESA-N 2 1 213.350 1.163 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CNC1=[NH+]CCS1 ZINC000044563789 173010160 /nfs/dbraw/zinc/01/01/60/173010160.db2.gz GTZBDVFGWZDXCH-VIFPVBQESA-N 2 1 213.350 1.163 10 0 BDAEMP C[NH+](C)C(C)(C)CNCC[C@@H]1CCCC[N@H+]1C ZINC000049856308 173008048 /nfs/dbraw/zinc/00/80/48/173008048.db2.gz PXJDLSCONJYKLF-ZDUSSCGKSA-N 2 1 241.423 1.791 10 0 BDAEMP C[N@@H+]1CCCC[C@H]1CNC1=[NH+]CCCS1 ZINC000044563785 173010810 /nfs/dbraw/zinc/01/08/10/173010810.db2.gz YVQUANXORWPNSU-JTQLQIEISA-N 2 1 227.377 1.553 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CNC1=[NH+]CCCS1 ZINC000044563785 173010812 /nfs/dbraw/zinc/01/08/12/173010812.db2.gz YVQUANXORWPNSU-JTQLQIEISA-N 2 1 227.377 1.553 10 0 BDAEMP CN1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000020593525 173013676 /nfs/dbraw/zinc/01/36/76/173013676.db2.gz QDCASWRFDZQDCO-UHFFFAOYSA-N 2 1 225.380 1.014 10 0 BDAEMP C[N@H+]1CCCN([C@@H](C[NH3+])C2CCCC2)CC1 ZINC000050272103 173016086 /nfs/dbraw/zinc/01/60/86/173016086.db2.gz KTGOCBAVTIESJS-ZDUSSCGKSA-N 2 1 225.380 1.141 10 0 BDAEMP C[N@H+]1CCCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000020217632 173017372 /nfs/dbraw/zinc/01/73/72/173017372.db2.gz DRNUFLYOVAMVER-UHFFFAOYSA-N 2 1 246.358 1.108 10 0 BDAEMP CN1CCC[N@H+](Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000020217632 173017374 /nfs/dbraw/zinc/01/73/74/173017374.db2.gz DRNUFLYOVAMVER-UHFFFAOYSA-N 2 1 246.358 1.108 10 0 BDAEMP CN1CCC[N@@H+](Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000020217632 173017377 /nfs/dbraw/zinc/01/73/77/173017377.db2.gz DRNUFLYOVAMVER-UHFFFAOYSA-N 2 1 246.358 1.108 10 0 BDAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000020217673 173017932 /nfs/dbraw/zinc/01/79/32/173017932.db2.gz BACGPDSAJYHYOU-LBPRGKRZSA-N 2 1 239.388 1.385 10 0 BDAEMP C[N@H+]1CCC[C@H](CNc2cc(N)cc[nH+]2)C1 ZINC000044535879 173040625 /nfs/dbraw/zinc/04/06/25/173040625.db2.gz AOKIJOBIFWDAGD-SNVBAGLBSA-N 2 1 220.320 1.418 10 0 BDAEMP CN(CC[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000053247497 173044778 /nfs/dbraw/zinc/04/47/78/173044778.db2.gz JFFBTIYMEFGAPY-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000037484723 173115454 /nfs/dbraw/zinc/11/54/54/173115454.db2.gz QELQSIPAXRMILR-LBPRGKRZSA-N 2 1 220.316 1.434 10 0 BDAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccc(F)cc2)C1 ZINC000036352053 173118996 /nfs/dbraw/zinc/11/89/96/173118996.db2.gz MNZRUJJUKNTAGB-DGCLKSJQSA-N 2 1 222.307 1.647 10 0 BDAEMP C[N@H+]1CC[C@@]2(C[C@H](CC[NH3+])CS2)C1 ZINC000082382431 173141899 /nfs/dbraw/zinc/14/18/99/173141899.db2.gz MKIAQGADLFZJQY-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000037484642 173146916 /nfs/dbraw/zinc/14/69/16/173146916.db2.gz MHZWGHRGSDXIMH-SNVBAGLBSA-N 2 1 210.346 1.789 10 0 BDAEMP C[N@@H+]1CC[C@](C[NH3+])(N2CCCCCCC2)C1 ZINC000061990133 173163227 /nfs/dbraw/zinc/16/32/27/173163227.db2.gz RMWXCQAAECVQPE-CYBMUJFWSA-N 2 1 225.380 1.286 10 0 BDAEMP C[N@H+]1CC[C@](C[NH3+])(N2CCCCCCC2)C1 ZINC000061990133 173163228 /nfs/dbraw/zinc/16/32/28/173163228.db2.gz RMWXCQAAECVQPE-CYBMUJFWSA-N 2 1 225.380 1.286 10 0 BDAEMP C[NH2+]C(C)(C)CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000061319842 173319105 /nfs/dbraw/zinc/31/91/05/173319105.db2.gz QEXKKAXWMQZEOV-LLVKDONJSA-N 2 1 213.369 1.010 10 0 BDAEMP C[NH2+]CC[C@@H](C)[N@H+]1CCCSCC1 ZINC000052371051 173357373 /nfs/dbraw/zinc/35/73/73/173357373.db2.gz KUYZSONRUFZQGB-SNVBAGLBSA-N 2 1 202.367 1.423 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000061590669 173367630 /nfs/dbraw/zinc/36/76/30/173367630.db2.gz XGNXFVYCFJJRRS-NWDGAFQWSA-N 2 1 228.405 1.813 10 0 BDAEMP C[NH2+]Cc1c(-n2cc[nH+]c2C)nc2ccccn21 ZINC000035449836 173384156 /nfs/dbraw/zinc/38/41/56/173384156.db2.gz UGXWKTGKXJFNPB-UHFFFAOYSA-N 2 1 241.298 1.548 10 0 BDAEMP C[NH2+]C[C@]1(C[N@@H+](C)CC2CCCC2)CCOC1 ZINC000104367591 173384331 /nfs/dbraw/zinc/38/43/31/173384331.db2.gz PPHQPNPXXLADKS-AWEZNQCLSA-N 2 1 240.391 1.735 10 0 BDAEMP C[NH2+]Cc1coc(CN2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000104131291 173393496 /nfs/dbraw/zinc/39/34/96/173393496.db2.gz ZAGCGLNKESSDHJ-LLVKDONJSA-N 2 1 237.347 1.135 10 0 BDAEMP COCC[N@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000048924460 174283783 /nfs/dbraw/zinc/28/37/83/174283783.db2.gz OLMYVWJIYSUOLN-QWRGUYRKSA-N 2 1 200.326 1.225 10 0 BDAEMP COCC[N@@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000048924460 174283786 /nfs/dbraw/zinc/28/37/86/174283786.db2.gz OLMYVWJIYSUOLN-QWRGUYRKSA-N 2 1 200.326 1.225 10 0 BDAEMP COCC[N@@H+](CCCCCC[NH3+])[C@H](C)COC ZINC000042610880 174290771 /nfs/dbraw/zinc/29/07/71/174290771.db2.gz WQFSVQVVSNTPKX-CYBMUJFWSA-N 2 1 246.395 1.489 10 0 BDAEMP COCC[N@H+]([C@@H](C)COC)C1(C[NH3+])CCCC1 ZINC000042606621 174302049 /nfs/dbraw/zinc/30/20/49/174302049.db2.gz JIDRJWQBZYXZKL-LBPRGKRZSA-N 2 1 244.379 1.241 10 0 BDAEMP COCC[N@@H+]([C@@H](C)COC)C1(C[NH3+])CCCC1 ZINC000042606621 174302051 /nfs/dbraw/zinc/30/20/51/174302051.db2.gz JIDRJWQBZYXZKL-LBPRGKRZSA-N 2 1 244.379 1.241 10 0 BDAEMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309669782 174851638 /nfs/dbraw/zinc/85/16/38/174851638.db2.gz VOFMATZCYDGFQG-HBNTYKKESA-N 2 1 223.320 1.211 10 0 BDAEMP COc1ccc(C[N@@H+](C)C[C@H](C)C[NH3+])cc1 ZINC000042441458 175095293 /nfs/dbraw/zinc/09/52/93/175095293.db2.gz FIXAPPGPLDARJJ-LLVKDONJSA-N 2 1 222.332 1.722 10 0 BDAEMP C[C@@H](c1cccnc1)[NH+]1CCC[NH2+]CCC1 ZINC000049666659 176029514 /nfs/dbraw/zinc/02/95/14/176029514.db2.gz OIXTVCCEEFVOMY-LBPRGKRZSA-N 2 1 219.332 1.828 10 0 BDAEMP C[C@@H](c1cnn(C)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010902 176036583 /nfs/dbraw/zinc/03/65/83/176036583.db2.gz LUJHHKVZWBGCPV-NSHDSACASA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1CCC[NH+]1CC[C@H](CO)C1 ZINC000049474383 176070352 /nfs/dbraw/zinc/07/03/52/176070352.db2.gz USNLPSRFNIQQTD-KGLIPLIRSA-N 2 1 240.391 1.565 10 0 BDAEMP C[C@@H]1CCCC[NH+]1CCC[N@@H+]1CC[C@H](CO)C1 ZINC000049474383 176070353 /nfs/dbraw/zinc/07/03/53/176070353.db2.gz USNLPSRFNIQQTD-KGLIPLIRSA-N 2 1 240.391 1.565 10 0 BDAEMP C[C@@H]1CCCC[NH+]1CCC[N@H+]1CC[C@H](CO)C1 ZINC000049474383 176070355 /nfs/dbraw/zinc/07/03/55/176070355.db2.gz USNLPSRFNIQQTD-KGLIPLIRSA-N 2 1 240.391 1.565 10 0 BDAEMP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)CCN1 ZINC000044526817 176168482 /nfs/dbraw/zinc/16/84/82/176168482.db2.gz XEHDHQPBNLQBMI-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CCN1 ZINC000044526817 176168485 /nfs/dbraw/zinc/16/84/85/176168485.db2.gz XEHDHQPBNLQBMI-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@@H]1CC[N@H+](CCc2ccncc2)CC[NH2+]1 ZINC000049662228 176169841 /nfs/dbraw/zinc/16/98/41/176169841.db2.gz XQSNKBUOPSMMPJ-GFCCVEGCSA-N 2 1 219.332 1.308 10 0 BDAEMP C[C@@H]1CC[N@@H+](CCc2ccncc2)CC[NH2+]1 ZINC000049662228 176169844 /nfs/dbraw/zinc/16/98/44/176169844.db2.gz XQSNKBUOPSMMPJ-GFCCVEGCSA-N 2 1 219.332 1.308 10 0 BDAEMP C[C@@H]1CC[N@H+](Cc2ccccn2)CCC[NH2+]1 ZINC000049666507 176176301 /nfs/dbraw/zinc/17/63/01/176176301.db2.gz OZDYGFJBAUHIRX-GFCCVEGCSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccccn2)CCC[NH2+]1 ZINC000049666507 176176303 /nfs/dbraw/zinc/17/63/03/176176303.db2.gz OZDYGFJBAUHIRX-GFCCVEGCSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@@H]1C[N@H+](C2(C[NH3+])CCCC2)CCCO1 ZINC000061916233 176280879 /nfs/dbraw/zinc/28/08/79/176280879.db2.gz ZZMCEFKWJBEAAZ-LLVKDONJSA-N 2 1 212.337 1.369 10 0 BDAEMP C[C@@H]1C[N@H+](CC2(C[NH3+])CCCCC2)CCO1 ZINC000051210525 176285056 /nfs/dbraw/zinc/28/50/56/176285056.db2.gz SRNMAUPSPJSRHM-GFCCVEGCSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CCCCC2)CCO1 ZINC000051210525 176285058 /nfs/dbraw/zinc/28/50/58/176285058.db2.gz SRNMAUPSPJSRHM-GFCCVEGCSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@@H]1CN(C[C@@H](C[NH3+])c2ccccc2)CC[N@H+]1C ZINC000070942703 176296331 /nfs/dbraw/zinc/29/63/31/176296331.db2.gz SODBZJJJCKKAED-UKRRQHHQSA-N 2 1 247.386 1.365 10 0 BDAEMP C[C@H](c1ccc2c(c1)OCO2)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245113 177035924 /nfs/dbraw/zinc/03/59/24/177035924.db2.gz MCGNPQUERFFISN-GHMZBOCLSA-N 2 1 248.326 1.757 10 0 BDAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC1(C[NH3+])CCOCC1 ZINC000052198249 177158774 /nfs/dbraw/zinc/15/87/74/177158774.db2.gz DEHQAWYKGPMTLM-QWHCGFSZSA-N 2 1 240.391 1.862 10 0 BDAEMP C[C@H]1C[N@@H+](CCC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000061918636 177248980 /nfs/dbraw/zinc/24/89/80/177248980.db2.gz LHIVKJBMGPAAGL-STQMWFEESA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)CCCO1 ZINC000061918971 177261829 /nfs/dbraw/zinc/26/18/29/177261829.db2.gz OGVGMAMGBUXIAV-NSHDSACASA-N 2 1 247.342 1.581 10 0 BDAEMP C[C@H]1C[N@H+](Cc2ccc(C(N)=[NH2+])cc2)CCO1 ZINC000019470717 177261969 /nfs/dbraw/zinc/26/19/69/177261969.db2.gz RSRXALDEWKVAHF-JTQLQIEISA-N 2 1 233.315 1.191 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)CCO1 ZINC000019470717 177261971 /nfs/dbraw/zinc/26/19/71/177261971.db2.gz RSRXALDEWKVAHF-JTQLQIEISA-N 2 1 233.315 1.191 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000044417634 177282044 /nfs/dbraw/zinc/28/20/44/177282044.db2.gz NPGPMCPECQAQMA-STQMWFEESA-N 2 1 226.364 1.487 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C2CCOCC2)C1 ZINC000049666384 177284601 /nfs/dbraw/zinc/28/46/01/177284601.db2.gz ZWNYYZRTWATFJM-TXEJJXNPSA-N 2 1 226.364 1.343 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000400518583 226345692 /nfs/dbraw/zinc/34/56/92/226345692.db2.gz NSQILCKCWNLCNX-IGQOVBAYSA-N 2 1 237.391 1.201 10 0 BDAEMP Cn1cncc1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000314898609 487670002 /nfs/dbraw/zinc/67/00/02/487670002.db2.gz NCYHVXMNLDCDRG-FPMFFAJLSA-N 2 1 248.374 1.022 10 0 BDAEMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)O1 ZINC000226449328 488086003 /nfs/dbraw/zinc/08/60/03/488086003.db2.gz HOHHSTDJVKTSCG-JHJVBQTASA-N 2 1 226.364 1.628 10 0 BDAEMP Cc1cc(N[C@@H](C)CCC[NH3+])nc(C)[nH+]1 ZINC000087362291 487646774 /nfs/dbraw/zinc/64/67/74/487646774.db2.gz JCHWWUPDVDSENT-QMMMGPOBSA-N 2 1 208.309 1.633 10 0 BDAEMP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)nc1 ZINC000234358717 487804888 /nfs/dbraw/zinc/80/48/88/487804888.db2.gz JBFOQUNDWILWPW-ZDUSSCGKSA-N 2 1 233.359 1.821 10 0 BDAEMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)nc1 ZINC000234358717 487804891 /nfs/dbraw/zinc/80/48/91/487804891.db2.gz JBFOQUNDWILWPW-ZDUSSCGKSA-N 2 1 233.359 1.821 10 0 BDAEMP CCc1cc(N[C@H](C)CC[NH3+])nc(C)[nH+]1 ZINC000134270428 487976837 /nfs/dbraw/zinc/97/68/37/487976837.db2.gz KYQCKCDHSHCAKN-MRVPVSSYSA-N 2 1 208.309 1.497 10 0 BDAEMP C[N@H+](Cc1ccc(CO)cc1)C[C@H]1CC[NH+](C)C1 ZINC000133208044 491147704 /nfs/dbraw/zinc/14/77/04/491147704.db2.gz HSSCKKKQJKPOIO-HNNXBMFYSA-N 2 1 248.370 1.562 10 0 BDAEMP C[NH+](Cc1ccc(CO)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000133208044 491147705 /nfs/dbraw/zinc/14/77/05/491147705.db2.gz HSSCKKKQJKPOIO-HNNXBMFYSA-N 2 1 248.370 1.562 10 0 BDAEMP C[NH+](Cc1ccc(CO)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000133208044 491147706 /nfs/dbraw/zinc/14/77/06/491147706.db2.gz HSSCKKKQJKPOIO-HNNXBMFYSA-N 2 1 248.370 1.562 10 0 BDAEMP COCC[C@@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757134047 582510243 /nfs/dbraw/zinc/51/02/43/582510243.db2.gz VYVNRERYBGGMSD-GFCCVEGCSA-N 2 1 226.364 1.629 10 0 BDAEMP CCC1(CC)CC[NH2+]C2(CC[NH2+]CC2)O1 ZINC000757141074 582521573 /nfs/dbraw/zinc/52/15/73/582521573.db2.gz JJDRYRDHJLMLJW-UHFFFAOYSA-N 2 1 212.337 1.635 10 0 BDAEMP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400595658 533846672 /nfs/dbraw/zinc/84/66/72/533846672.db2.gz VMNRLMSGUMZSRQ-QWHCGFSZSA-N 3 1 225.380 1.060 10 0 BDAEMP C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000400353398 533934103 /nfs/dbraw/zinc/93/41/03/533934103.db2.gz AGGBTMAKVHBFHQ-QWRGUYRKSA-N 2 1 222.307 1.913 10 0 BDAEMP CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C[C@H]1C ZINC000252475102 519862451 /nfs/dbraw/zinc/86/24/51/519862451.db2.gz SQJDAGSKCKFRLK-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400383877 528112122 /nfs/dbraw/zinc/11/21/22/528112122.db2.gz LGKQJQKLRRWBEC-QWHCGFSZSA-N 3 1 227.396 1.306 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400353306 528502249 /nfs/dbraw/zinc/50/22/49/528502249.db2.gz LCFDAWWGMOUGBL-BFHYXJOUSA-N 2 1 241.423 1.550 10 0 BDAEMP COCCC[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757125490 582500978 /nfs/dbraw/zinc/50/09/78/582500978.db2.gz DVLCYWIMVUZCGQ-STQMWFEESA-N 2 1 226.364 1.629 10 0 BDAEMP C1CCC2(CC1)C[NH2+]C1(CC[NH2+]CC1)OC2 ZINC000757153623 582539316 /nfs/dbraw/zinc/53/93/16/582539316.db2.gz YIPCWHCIPMBQRG-UHFFFAOYSA-N 2 1 224.348 1.636 10 0 BDAEMP [NH3+]C[C@H]1C[C@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757218620 582561880 /nfs/dbraw/zinc/56/18/80/582561880.db2.gz VIWITIWZQKFIFR-RKDXNWHRSA-N 2 1 224.329 1.355 10 0 BDAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H]1CC1(C)C ZINC000399010506 583169179 /nfs/dbraw/zinc/16/91/79/583169179.db2.gz XGWUINMBPNRTOT-DGCLKSJQSA-N 2 1 240.391 1.467 10 0 BDAEMP COCCC[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757130869 586426542 /nfs/dbraw/zinc/42/65/42/586426542.db2.gz OKFGBVQXBQCOFL-OLZOCXBDSA-N 2 1 226.364 1.487 10 0 BDAEMP C[C@@H]1CC[C@H](N)[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757214536 586440172 /nfs/dbraw/zinc/44/01/72/586440172.db2.gz MPKYWJCYNHTCOS-ICCXJUOJSA-N 2 1 219.332 1.286 10 0 BDAEMP CC(=O)c1ccc([C@H]2CC[C@H](C[NH3+])[NH2+]C2)cc1 ZINC000757215404 586440554 /nfs/dbraw/zinc/44/05/54/586440554.db2.gz NJSNLLNRFBCQGS-UONOGXRCSA-N 2 1 232.327 1.684 10 0 BDAEMP N[C@H]1CCC[NH2+][C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757231386 586443190 /nfs/dbraw/zinc/44/31/90/586443190.db2.gz HRTBSQRFHITOCN-GJZGRUSLSA-N 2 1 245.370 1.775 10 0 BDAEMP Cc1ccc(N)cc1[C@H]1CC[C@H]([NH3+])C[NH2+]1 ZINC000757236243 586443675 /nfs/dbraw/zinc/44/36/75/586443675.db2.gz NSAOPYPCUNZMRL-CMPLNLGQSA-N 2 1 205.305 1.329 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])C[C@@H]1N(C)C ZINC000124256957 589971376 /nfs/dbraw/zinc/97/13/76/589971376.db2.gz UMAAJOHJSSLERS-KBPBESRZSA-N 2 1 241.423 1.778 10 0 BDAEMP C[C@H]1CN(CCCCCCC[NH3+])C[C@@H]1[NH+](C)C ZINC000124256957 589971377 /nfs/dbraw/zinc/97/13/77/589971377.db2.gz UMAAJOHJSSLERS-KBPBESRZSA-N 2 1 241.423 1.778 10 0 BDAEMP CCN1CCC[C@@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000092633556 634197341 /nfs/dbraw/zinc/19/73/41/634197341.db2.gz IABGKWZEWDHPGH-CQSZACIVSA-N 2 1 241.423 1.922 10 0 BDAEMP CC[N@@H+]1CCC[C@@H]1CN(C)CCCCCC[NH3+] ZINC000092633556 634197347 /nfs/dbraw/zinc/19/73/47/634197347.db2.gz IABGKWZEWDHPGH-CQSZACIVSA-N 2 1 241.423 1.922 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)CCCCCC[NH3+] ZINC000092633556 634197354 /nfs/dbraw/zinc/19/73/54/634197354.db2.gz IABGKWZEWDHPGH-CQSZACIVSA-N 2 1 241.423 1.922 10 0 BDAEMP C[NH2+]C[C@@H]1CCCCN1c1cc(C)[nH+]c(C)n1 ZINC000053706509 634327344 /nfs/dbraw/zinc/32/73/44/634327344.db2.gz RFBBFMLEKJXTFW-LBPRGKRZSA-N 2 1 234.347 1.672 10 0 BDAEMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000221355778 635330212 /nfs/dbraw/zinc/33/02/12/635330212.db2.gz ZKNMXJOIOLOPBS-KBPBESRZSA-N 2 1 239.407 1.260 10 0 BDAEMP CCc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000227642903 640843408 /nfs/dbraw/zinc/84/34/08/640843408.db2.gz RWGWVNRPPCBJPX-MNOVXSKESA-N 2 1 234.347 1.887 10 0 BDAEMP O[C@H](C[NH2+]C1CCCC1)C[NH+]1CCCCC1 ZINC000238120632 641153105 /nfs/dbraw/zinc/15/31/05/641153105.db2.gz XLHIIOKUHUHMQW-CYBMUJFWSA-N 2 1 226.364 1.365 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@H]1CCC[NH2+]1 ZINC000227650078 642973090 /nfs/dbraw/zinc/97/30/90/642973090.db2.gz KXSQWXLCNTXORA-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCCO1 ZINC000083774181 644408495 /nfs/dbraw/zinc/40/84/95/644408495.db2.gz KTNMXXMFJKIBMQ-VHSXEESVSA-N 2 1 200.326 1.128 10 0 BDAEMP CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000249811271 644742101 /nfs/dbraw/zinc/74/21/01/644742101.db2.gz HDJMCMXHXGGUQM-STQMWFEESA-N 2 1 226.364 1.629 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3CCCC[C@H]3C2)C1 ZINC000250833623 644782043 /nfs/dbraw/zinc/78/20/43/644782043.db2.gz KBSJSDHRFFPHAW-MJBXVCDLSA-N 2 1 237.391 1.284 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](CN2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000250833623 644782047 /nfs/dbraw/zinc/78/20/47/644782047.db2.gz KBSJSDHRFFPHAW-MJBXVCDLSA-N 2 1 237.391 1.284 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](CN2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000250833623 644782053 /nfs/dbraw/zinc/78/20/53/644782053.db2.gz KBSJSDHRFFPHAW-MJBXVCDLSA-N 2 1 237.391 1.284 10 0 BDAEMP Cc1c(C[NH2+]CC[C@H](C)[NH+](C)C)cnn1C ZINC000700562126 711846882 /nfs/dbraw/zinc/84/68/82/711846882.db2.gz ACWWHXBHWUJPDJ-JTQLQIEISA-N 2 1 224.352 1.158 10 0 BDAEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCCO1)C2 ZINC000702629312 712057096 /nfs/dbraw/zinc/05/70/96/712057096.db2.gz BXLZIXWYPHKKKA-RWMBFGLXSA-N 2 1 224.348 1.097 10 0 BDAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719210062 712800335 /nfs/dbraw/zinc/80/03/35/712800335.db2.gz BKQWYWOVXXSIRL-STQMWFEESA-N 2 1 242.407 1.857 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000133082268 710968498 /nfs/dbraw/zinc/96/84/98/710968498.db2.gz FRLNITWAGUQXFM-UTUOFQBUSA-N 2 1 212.337 1.082 10 0 BDAEMP COC[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000721915324 710690696 /nfs/dbraw/zinc/69/06/96/710690696.db2.gz UHLONWPVEDHUGF-IGQOVBAYSA-N 2 1 240.391 1.574 10 0 BDAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000723119262 711505128 /nfs/dbraw/zinc/50/51/28/711505128.db2.gz XSIDXUFHAWDGOP-QNWJLWSRSA-N 2 1 208.349 1.702 10 0 BDAEMP Cc1cnc(C[NH2+]C2CC[NH2+]CC2)c(C)c1 ZINC000724024398 711556918 /nfs/dbraw/zinc/55/69/18/711556918.db2.gz QARIKOPMLZAHNV-UHFFFAOYSA-N 2 1 219.332 1.540 10 0 BDAEMP Cc1cnc(C[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000724072857 711559144 /nfs/dbraw/zinc/55/91/44/711559144.db2.gz UJQMDMDAWNNYAG-LLVKDONJSA-N 2 1 219.332 1.396 10 0 BDAEMP COC1CC(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000709849259 712230211 /nfs/dbraw/zinc/23/02/11/712230211.db2.gz NSBQTRIWCRLVKB-JXQTWKCFSA-N 2 1 238.375 1.487 10 0 BDAEMP COCC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000713953733 712474741 /nfs/dbraw/zinc/47/47/41/712474741.db2.gz RWACTOFEIOCEDQ-HHTDUIENSA-N 2 1 238.375 1.628 10 0 BDAEMP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000713986493 712476538 /nfs/dbraw/zinc/47/65/38/712476538.db2.gz GZAZJEUUJIQFJE-NXEZZACHSA-N 2 1 218.291 1.763 10 0 BDAEMP CCC1([NH3+])CCN([C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000714752943 712497320 /nfs/dbraw/zinc/49/73/20/712497320.db2.gz FUOFCJYZTJIJRZ-STQMWFEESA-N 2 1 239.407 1.672 10 0 BDAEMP CCC1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000714751558 712497423 /nfs/dbraw/zinc/49/74/23/712497423.db2.gz FCRIXMGSOJYGBT-UHFFFAOYSA-N 2 1 245.330 1.666 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cc(F)ccc1F ZINC000685965403 538912117 /nfs/dbraw/zinc/91/21/17/538912117.db2.gz CJUIBUKMBRNWRS-MWLCHTKSSA-N 2 1 212.243 1.369 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C2CC2)cc1 ZINC000685965728 538912489 /nfs/dbraw/zinc/91/24/89/538912489.db2.gz QGNXEQZWGVTAJX-KGLIPLIRSA-N 2 1 216.328 1.968 10 0 BDAEMP CCc1nc(N2CC[C@H]([NH3+])[C@@H](CC)C2)cc(C)[nH+]1 ZINC000385458403 398164800 /nfs/dbraw/zinc/16/48/00/398164800.db2.gz SUESKIOCODAWHY-RYUDHWBXSA-N 2 1 248.374 1.911 10 0 BDAEMP CCc1nn(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000386661503 398213884 /nfs/dbraw/zinc/21/38/84/398213884.db2.gz VNJVALSIMWVNCQ-CYZMBNFOSA-N 2 1 248.374 1.152 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000070798704 361758407 /nfs/dbraw/zinc/75/84/07/361758407.db2.gz UBZZTJZRQULCIR-WDEREUQCSA-N 2 1 214.378 1.423 10 0 BDAEMP COc1cccc2c1C=C(C[C@@H]([NH3+])C[NH3+])CC2 ZINC000144288624 342728940 /nfs/dbraw/zinc/72/89/40/342728940.db2.gz SZXIIVFTOXYSMF-GFCCVEGCSA-N 2 1 232.327 1.701 10 0 BDAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@H](C)COC ZINC000187646133 538976590 /nfs/dbraw/zinc/97/65/90/538976590.db2.gz RLYDQXSYGBAYHX-RYUDHWBXSA-N 2 1 216.369 1.589 10 0 BDAEMP CC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000381386760 538999974 /nfs/dbraw/zinc/99/99/74/538999974.db2.gz MYFLJPYMASTMEJ-CYBMUJFWSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H]1SCC[C@]1(C[NH3+])[NH+]1CCCC1 ZINC000235389688 398337210 /nfs/dbraw/zinc/33/72/10/398337210.db2.gz AAKJVOSNXWLKGZ-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@@H+]1CCc2ccsc2C12CC[NH2+]CC2 ZINC000584883775 343087014 /nfs/dbraw/zinc/08/70/14/343087014.db2.gz IBMYTRFZPSGZCI-UHFFFAOYSA-N 2 1 222.357 1.815 10 0 BDAEMP C[N@H+]1CCc2ccsc2C12CC[NH2+]CC2 ZINC000584883775 343087016 /nfs/dbraw/zinc/08/70/16/343087016.db2.gz IBMYTRFZPSGZCI-UHFFFAOYSA-N 2 1 222.357 1.815 10 0 BDAEMP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000142161817 343105442 /nfs/dbraw/zinc/10/54/42/343105442.db2.gz ZEPOQCRUBRTUSL-STQMWFEESA-N 2 1 247.386 1.842 10 0 BDAEMP C[C@H]([NH3+])c1ccc(C[N@@H+]2CCN(C)[C@@H](C)C2)cc1 ZINC000142161817 343105444 /nfs/dbraw/zinc/10/54/44/343105444.db2.gz ZEPOQCRUBRTUSL-STQMWFEESA-N 2 1 247.386 1.842 10 0 BDAEMP C[C@H]([NH3+])c1ccc(C[N@H+]2CCN(C)[C@@H](C)C2)cc1 ZINC000142161817 343105446 /nfs/dbraw/zinc/10/54/46/343105446.db2.gz ZEPOQCRUBRTUSL-STQMWFEESA-N 2 1 247.386 1.842 10 0 BDAEMP Cn1c2ccccc2[nH+]c1NCCC[NH3+] ZINC000070609082 343334089 /nfs/dbraw/zinc/33/40/89/343334089.db2.gz OTPIJIYUPFOGOQ-UHFFFAOYSA-N 2 1 204.277 1.334 10 0 BDAEMP COC[C@@H]1C[N@@H+](CCC[NH3+])CC12CCCC2 ZINC000409435483 343833770 /nfs/dbraw/zinc/83/37/70/343833770.db2.gz UYQYWTBUZIWROV-LBPRGKRZSA-N 2 1 226.364 1.474 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCS[C@@H]1C ZINC000234393580 343963591 /nfs/dbraw/zinc/96/35/91/343963591.db2.gz WJHLQBSDOBGOST-OUAUKWLOSA-N 2 1 214.378 1.564 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+]1[C@@H]1CCS[C@@H]1C ZINC000234393580 343963594 /nfs/dbraw/zinc/96/35/94/343963594.db2.gz WJHLQBSDOBGOST-OUAUKWLOSA-N 2 1 214.378 1.564 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1C[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000220198170 344097697 /nfs/dbraw/zinc/09/76/97/344097697.db2.gz SGEAMMWNIPTANT-GMTAPVOTSA-N 2 1 212.362 1.327 10 0 BDAEMP C[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C(C)C)OCCO2 ZINC000043813199 344236856 /nfs/dbraw/zinc/23/68/56/344236856.db2.gz VKXCWSQVFJYYCR-RYUDHWBXSA-N 2 1 242.363 1.210 10 0 BDAEMP C[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C(C)C)OCCO2 ZINC000043813199 344236858 /nfs/dbraw/zinc/23/68/58/344236858.db2.gz VKXCWSQVFJYYCR-RYUDHWBXSA-N 2 1 242.363 1.210 10 0 BDAEMP Cn1c2cc(F)ccc2[nH+]c1NCCC[NH3+] ZINC000212503153 344263690 /nfs/dbraw/zinc/26/36/90/344263690.db2.gz XEDNSBKSWKRPTN-UHFFFAOYSA-N 2 1 222.267 1.473 10 0 BDAEMP CCc1nc(N2C[C@H]([NH3+])C[C@@H]2C)cc(C)[nH+]1 ZINC000384989268 344285895 /nfs/dbraw/zinc/28/58/95/344285895.db2.gz LVVVOSHHQHOYJV-VHSXEESVSA-N 2 1 220.320 1.273 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000060054471 344358299 /nfs/dbraw/zinc/35/82/99/344358299.db2.gz JRVGWMKCMSSEMV-JTQLQIEISA-N 2 1 201.273 1.583 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]([NH3+])C2)CCS1 ZINC000221063433 344669128 /nfs/dbraw/zinc/66/91/28/344669128.db2.gz DLGDXSOKPCDVMQ-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP CSC1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000235249163 344856830 /nfs/dbraw/zinc/85/68/30/344856830.db2.gz XPYOQPYWZVWXDW-WHXUTIOJSA-N 2 1 214.378 1.694 10 0 BDAEMP CSC1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000235249163 344856832 /nfs/dbraw/zinc/85/68/32/344856832.db2.gz XPYOQPYWZVWXDW-WHXUTIOJSA-N 2 1 214.378 1.694 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000634998603 345197995 /nfs/dbraw/zinc/19/79/95/345197995.db2.gz IFVKXWFXJCPTSG-VWYCJHECSA-N 2 1 214.378 1.266 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000634999230 345199275 /nfs/dbraw/zinc/19/92/75/345199275.db2.gz RJQPPFQZMXHFBB-FZMZJTMJSA-N 2 1 246.354 1.648 10 0 BDAEMP COCC(C)(C)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999392 345200371 /nfs/dbraw/zinc/20/03/71/345200371.db2.gz UBAFIQWGPWAOTP-QWRGUYRKSA-N 2 1 214.353 1.186 10 0 BDAEMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000051576611 179080272 /nfs/dbraw/zinc/08/02/72/179080272.db2.gz NNIPQDNDOSZGLB-ZWNOBZJWSA-N 2 1 219.332 1.559 10 0 BDAEMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000051576611 179080274 /nfs/dbraw/zinc/08/02/74/179080274.db2.gz NNIPQDNDOSZGLB-ZWNOBZJWSA-N 2 1 219.332 1.559 10 0 BDAEMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCCCS2)C1 ZINC000250893442 362825573 /nfs/dbraw/zinc/82/55/73/362825573.db2.gz XYXNCXROXRTUKF-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCCS2)C1 ZINC000250893442 362825580 /nfs/dbraw/zinc/82/55/80/362825580.db2.gz XYXNCXROXRTUKF-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP Cc1cccnc1C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071345264 179379096 /nfs/dbraw/zinc/37/90/96/179379096.db2.gz JPQWKWDDILGJBP-YHWZYXNKSA-N 2 1 231.343 1.844 10 0 BDAEMP C[C@@H]1CCC[N@@H+]1[C@@]1(C[NH3+])CCCSC1 ZINC000216491067 348782188 /nfs/dbraw/zinc/78/21/88/348782188.db2.gz JEUHZEMNUUGWGO-GHMZBOCLSA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@@H]1CCC[N@H+]1[C@@]1(C[NH3+])CCCSC1 ZINC000216491067 348782194 /nfs/dbraw/zinc/78/21/94/348782194.db2.gz JEUHZEMNUUGWGO-GHMZBOCLSA-N 2 1 214.378 1.695 10 0 BDAEMP O[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250672083 538023921 /nfs/dbraw/zinc/02/39/21/538023921.db2.gz VEOJNDLOADDGJY-IGQOVBAYSA-N 2 1 238.375 1.506 10 0 BDAEMP Cc1nccn1CC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000042427523 180253890 /nfs/dbraw/zinc/25/38/90/180253890.db2.gz ZETSYEIRLCNIDW-AAEUAGOBSA-N 2 1 236.363 1.251 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043341295 180271774 /nfs/dbraw/zinc/27/17/74/180271774.db2.gz ZSUKPMAXDXATKC-JOYOIKCWSA-N 2 1 216.288 1.523 10 0 BDAEMP Cc1[nH+]cn(CC[NH2+]C2CCOCC2)c1C ZINC000062767970 180287664 /nfs/dbraw/zinc/28/76/64/180287664.db2.gz KREZWLXPKRTKHX-UHFFFAOYSA-N 2 1 223.320 1.269 10 0 BDAEMP [NH3+]CCC[N@@H+](C1CC1)[C@H]1CCSC1 ZINC000409433530 350477811 /nfs/dbraw/zinc/47/78/11/350477811.db2.gz MXOHTCBGQSNKLC-JTQLQIEISA-N 2 1 200.351 1.305 10 0 BDAEMP Nc1ncccc1[C@H]1CCC[N@@H+](CCO)CC1 ZINC000616600131 350779084 /nfs/dbraw/zinc/77/90/84/350779084.db2.gz CUFSYFKNVMYJAO-NSHDSACASA-N 2 1 235.331 1.226 10 0 BDAEMP Nc1[nH+]cccc1[C@H]1CCC[N@H+](CCO)CC1 ZINC000616600131 350779087 /nfs/dbraw/zinc/77/90/87/350779087.db2.gz CUFSYFKNVMYJAO-NSHDSACASA-N 2 1 235.331 1.226 10 0 BDAEMP Nc1[nH+]cccc1[C@H]1CCC[N@@H+](CCO)CC1 ZINC000616600131 350779092 /nfs/dbraw/zinc/77/90/92/350779092.db2.gz CUFSYFKNVMYJAO-NSHDSACASA-N 2 1 235.331 1.226 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1cc(F)cc(F)c1F ZINC000306745255 350933741 /nfs/dbraw/zinc/93/37/41/350933741.db2.gz ZWLBIDRBXSRJFA-MRVPVSSYSA-N 2 1 204.195 1.453 10 0 BDAEMP CC[C@@H]1C[N@H+](C2CSC2)CC[C@H]1[NH3+] ZINC000306782348 351029381 /nfs/dbraw/zinc/02/93/81/351029381.db2.gz QMUVVMBNPNKJGW-PSASIEDQSA-N 2 1 200.351 1.161 10 0 BDAEMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616662994 351214705 /nfs/dbraw/zinc/21/47/05/351214705.db2.gz NRMHJWSWBSSUPB-AWEZNQCLSA-N 2 1 234.343 1.626 10 0 BDAEMP C[C@@H]1C[NH2+][C@]2(CC[N@@H+](C)C[C@H]2C)S1 ZINC000306949940 351375141 /nfs/dbraw/zinc/37/51/41/351375141.db2.gz XIPMTLFTPAKAED-OPRDCNLKSA-N 2 1 200.351 1.379 10 0 BDAEMP C[C@H]1C[C@H](C)[N@@H+](C2(C[NH3+])CSC2)C1 ZINC000306979239 351397493 /nfs/dbraw/zinc/39/74/93/351397493.db2.gz FMADTRUWCGLECW-IUCAKERBSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1C[C@H](C)[N@H+](C2(C[NH3+])CSC2)C1 ZINC000306979239 351397497 /nfs/dbraw/zinc/39/74/97/351397497.db2.gz FMADTRUWCGLECW-IUCAKERBSA-N 2 1 200.351 1.161 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2[NH3+])C1 ZINC000307021037 351428316 /nfs/dbraw/zinc/42/83/16/351428316.db2.gz CYKOCJWEVBCCLU-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CN(C(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000307058066 351455306 /nfs/dbraw/zinc/45/53/06/351455306.db2.gz FLNHDEUOGTUOOU-LLVKDONJSA-N 2 1 232.331 1.086 10 0 BDAEMP C[C@@H]1CN(C(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000307058066 351455307 /nfs/dbraw/zinc/45/53/07/351455307.db2.gz FLNHDEUOGTUOOU-LLVKDONJSA-N 2 1 232.331 1.086 10 0 BDAEMP C[C@H]1CSCC[N@@H+]1CC1(C)C[NH2+]C1 ZINC000307088729 351472074 /nfs/dbraw/zinc/47/20/74/351472074.db2.gz NCWIAYWLWFHKBT-VIFPVBQESA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@H]1CSCC[N@H+]1CC1(C)C[NH2+]C1 ZINC000307088729 351472079 /nfs/dbraw/zinc/47/20/79/351472079.db2.gz NCWIAYWLWFHKBT-VIFPVBQESA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@@H](Nc1cc[nH+]cc1Br)[C@H](C)[NH3+] ZINC000307231414 351686701 /nfs/dbraw/zinc/68/67/01/351686701.db2.gz BKDWMZUYOMAIPZ-NKWVEPMBSA-N 2 1 244.136 1.992 10 0 BDAEMP C[C@@H]1CCN(C(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000307598583 352665854 /nfs/dbraw/zinc/66/58/54/352665854.db2.gz PCIQLDDHPSCZOR-GFCCVEGCSA-N 2 1 246.358 1.476 10 0 BDAEMP [NH3+][C@@H](C[NH2+]Cc1ccccc1)CC1CC1 ZINC000307643980 352737093 /nfs/dbraw/zinc/73/70/93/352737093.db2.gz RFHAKVFMBQHMTP-CYBMUJFWSA-N 2 1 204.317 1.904 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CCC(F)F)C1 ZINC000307663048 352748313 /nfs/dbraw/zinc/74/83/13/352748313.db2.gz IIFBJNFNTCQQIO-SECBINFHSA-N 2 1 206.280 1.573 10 0 BDAEMP C[C@H]1C[C@@H](NC(N)=[NH2+])C[N@H+]1Cc1ccccc1 ZINC000307693605 352965040 /nfs/dbraw/zinc/96/50/40/352965040.db2.gz XHWQSATTWAFOOF-CMPLNLGQSA-N 2 1 232.331 1.132 10 0 BDAEMP [NH3+]CC1CN(c2cc[nH+]cc2Br)C1 ZINC000160029730 353100584 /nfs/dbraw/zinc/10/05/84/353100584.db2.gz SPDJPUFYYGLGRW-UHFFFAOYSA-N 2 1 242.120 1.239 10 0 BDAEMP C[C@H]1CC[NH2+]CC[N@H+]1[C@H]1CCSC1 ZINC000405275663 353155626 /nfs/dbraw/zinc/15/56/26/353155626.db2.gz WXYKHRXOVSZBRX-UWVGGRQHSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@]1([NH3+])CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000405780175 355273634 /nfs/dbraw/zinc/27/36/34/355273634.db2.gz HBKXUUJANMCRAC-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405789697 355276204 /nfs/dbraw/zinc/27/62/04/355276204.db2.gz KKBYYWGYPFMWGA-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[C@@H]1C[NH2+]CC[C@]12[NH2+][C@@H](C)CS2 ZINC000229823241 355419809 /nfs/dbraw/zinc/41/98/09/355419809.db2.gz OLJKSWSRCWNPRG-IVZWLZJFSA-N 2 1 200.351 1.427 10 0 BDAEMP C[C@H](CCCC[NH3+])Nc1[nH+]cnc2[nH]ccc21 ZINC000420265577 192193036 /nfs/dbraw/zinc/19/30/36/192193036.db2.gz WEJLLMXNQOWWLT-SECBINFHSA-N 2 1 233.319 1.887 10 0 BDAEMP [NH3+][C@H]1C=C(C[C@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076657 538511346 /nfs/dbraw/zinc/51/13/46/538511346.db2.gz FNOGBIFBDBWRQP-SCZZXKLOSA-N 2 1 216.275 1.669 10 0 BDAEMP CSc1ccc(C2=C[C@@H]([NH3+])CNC2)cc1 ZINC000675079297 538517805 /nfs/dbraw/zinc/51/78/05/538517805.db2.gz XMSJJVCUMQNPFU-LLVKDONJSA-N 2 1 220.341 1.722 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000685945874 538886982 /nfs/dbraw/zinc/88/69/82/538886982.db2.gz DIMLXDSJCSIJRV-CHWSQXEVSA-N 2 1 204.317 1.789 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000685945800 538887007 /nfs/dbraw/zinc/88/70/07/538887007.db2.gz BFDIPAVCMBFFLE-OLZOCXBDSA-N 2 1 220.316 1.490 10 0 BDAEMP CCOc1cccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685945828 538887024 /nfs/dbraw/zinc/88/70/24/538887024.db2.gz CBBCLEOSLJQGFU-OLZOCXBDSA-N 2 1 220.316 1.490 10 0 BDAEMP C[C@H](C[NH3+])[N@@H+]1CCSC(C)(C)CC1 ZINC000231036840 358518716 /nfs/dbraw/zinc/51/87/16/358518716.db2.gz STEDWVOZIYYRNE-SECBINFHSA-N 2 1 202.367 1.551 10 0 BDAEMP C[C@H](C[NH3+])[N@H+]1CCSC(C)(C)CC1 ZINC000231036840 358518719 /nfs/dbraw/zinc/51/87/19/358518719.db2.gz STEDWVOZIYYRNE-SECBINFHSA-N 2 1 202.367 1.551 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CCSC2)[C@@H](C)C1 ZINC000299969720 358958335 /nfs/dbraw/zinc/95/83/35/358958335.db2.gz RNWVIHWQDWKLHH-AXFHLTTASA-N 2 1 214.378 1.564 10 0 BDAEMP C[C@H]([NH3+])CCNc1[nH+]c2ccccc2n1C ZINC000070609143 359059369 /nfs/dbraw/zinc/05/93/69/359059369.db2.gz NIKUBJXBRXDNQI-VIFPVBQESA-N 2 1 218.304 1.723 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070823313 359064502 /nfs/dbraw/zinc/06/45/02/359064502.db2.gz PMGVUMFEERJODY-OLZOCXBDSA-N 2 1 227.396 1.243 10 0 BDAEMP [NH3+][C@H]1C=C[C@@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000306241456 359420921 /nfs/dbraw/zinc/42/09/21/359420921.db2.gz RGXTZNIZALDUNX-BDAKNGLRSA-N 2 1 202.248 1.231 10 0 BDAEMP [NH3+][C@H]1C=C[C@@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000306241456 359420927 /nfs/dbraw/zinc/42/09/27/359420927.db2.gz RGXTZNIZALDUNX-BDAKNGLRSA-N 2 1 202.248 1.231 10 0 BDAEMP CNC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000306395370 359760835 /nfs/dbraw/zinc/76/08/35/359760835.db2.gz JKGJRRSDMLPART-AAEUAGOBSA-N 2 1 246.358 1.393 10 0 BDAEMP CC1CC([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000309106245 491145015 /nfs/dbraw/zinc/14/50/15/491145015.db2.gz IAPZQMWBUWVDCG-HSOILSAZSA-N 2 1 205.305 1.586 10 0 BDAEMP C[C@H]1[C@@H](NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000306440768 360005844 /nfs/dbraw/zinc/00/58/44/360005844.db2.gz KUIUBFJHGZESNY-JQWIXIFHSA-N 2 1 232.331 1.132 10 0 BDAEMP c1ccc2c(c1)CCN2CCC[NH2+][C@H]1CC[NH2+]C1 ZINC000094075643 360295279 /nfs/dbraw/zinc/29/52/79/360295279.db2.gz FEMUWDVXGVTFKZ-AWEZNQCLSA-N 2 1 245.370 1.391 10 0 BDAEMP C[C@H]1CSCC[N@H+]1C1CC[NH2+]CC1 ZINC000069761007 360409355 /nfs/dbraw/zinc/40/93/55/360409355.db2.gz CGQSFQFNFIRIGT-VIFPVBQESA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@H]([C@H]1CC[NH2+]C1)[N@H+]1CCSC[C@H]1C ZINC000306577055 360464999 /nfs/dbraw/zinc/46/49/99/360464999.db2.gz KYWWXDRXWAVKOQ-MXWKQRLJSA-N 2 1 214.378 1.422 10 0 BDAEMP CC[C@](C)(C[NH3+])[N@H+]1CCCOC[C@H]1C ZINC000306592491 360510972 /nfs/dbraw/zinc/51/09/72/360510972.db2.gz WLXDSLSAWDIWRT-GHMZBOCLSA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@H]1C[NH+](C(C)(C)C[NH3+])C[C@H](C)S1 ZINC000069908327 361001190 /nfs/dbraw/zinc/00/11/90/361001190.db2.gz BJACPQHOENOKBT-IUCAKERBSA-N 2 1 202.367 1.550 10 0 BDAEMP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309996824 491159657 /nfs/dbraw/zinc/15/96/57/491159657.db2.gz CIGHJFSJRBIPDA-NEPJUHHUSA-N 2 1 228.380 1.467 10 0 BDAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(O)cc1 ZINC000054628689 181344847 /nfs/dbraw/zinc/34/48/47/181344847.db2.gz QQSVSUJUWOJQMQ-AGUYFDCRSA-N 2 1 246.354 1.889 10 0 BDAEMP C[C@H](C[NH3+])[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000252588209 363909528 /nfs/dbraw/zinc/90/95/28/363909528.db2.gz AUEMVAHQZVYDMA-GMTAPVOTSA-N 2 1 200.326 1.081 10 0 BDAEMP CCC(CC)C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630369127 364086311 /nfs/dbraw/zinc/08/63/11/364086311.db2.gz VJNYUKXOETZUMO-CHWSQXEVSA-N 2 1 228.380 1.861 10 0 BDAEMP O[C@H]1C[NH2+]C[C@@H]1CNc1[nH+]ccc2ccccc21 ZINC000630511315 364196164 /nfs/dbraw/zinc/19/61/64/364196164.db2.gz CSZDMUJMSQVIJV-YPMHNXCESA-N 2 1 243.310 1.227 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H](CO)C2)CCCC1 ZINC000051206179 181358724 /nfs/dbraw/zinc/35/87/24/181358724.db2.gz BXHXLTLDZRDUAB-GFCCVEGCSA-N 2 1 226.364 1.210 10 0 BDAEMP CCc1nc(N[C@@H]2CC[C@H](C)[NH2+]C2)cc(C)[nH+]1 ZINC000630535249 364229506 /nfs/dbraw/zinc/22/95/06/364229506.db2.gz SLXMVFPVYIMEJG-GXSJLCMTSA-N 2 1 234.347 1.322 10 0 BDAEMP [NH3+]CCCCCCC[N@H+]1CCn2ccnc2C1 ZINC000062321475 181375540 /nfs/dbraw/zinc/37/55/40/181375540.db2.gz WNPDIBRNPOKUCF-UHFFFAOYSA-N 2 1 236.363 1.608 10 0 BDAEMP [NH3+]CCCOC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004110584 181384250 /nfs/dbraw/zinc/38/42/50/181384250.db2.gz IBGXCLWTIRDXIN-QWHCGFSZSA-N 2 1 226.364 1.616 10 0 BDAEMP OCC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444596369 193052050 /nfs/dbraw/zinc/05/20/50/193052050.db2.gz MZGCHGKRUNPDHP-CQSZACIVSA-N 2 1 240.391 1.567 10 0 BDAEMP COC[C@H](C1CC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380670089 367276008 /nfs/dbraw/zinc/27/60/08/367276008.db2.gz AVEBPHWDHJQFDD-RAIGVLPGSA-N 2 1 226.364 1.328 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000382199069 367498587 /nfs/dbraw/zinc/49/85/87/367498587.db2.gz DMLMAZVKVZTTOO-JHJVBQTASA-N 2 1 226.364 1.628 10 0 BDAEMP CCc1nc(N[C@@H]2CC[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000382518482 367532097 /nfs/dbraw/zinc/53/20/97/367532097.db2.gz SGWJWOORXNHFQF-GHMZBOCLSA-N 2 1 234.347 1.309 10 0 BDAEMP CO[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000252943371 368168904 /nfs/dbraw/zinc/16/89/04/368168904.db2.gz KMGBGAOPMDHDBA-MMWGEVLESA-N 2 1 200.326 1.079 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000252979923 368177247 /nfs/dbraw/zinc/17/72/47/368177247.db2.gz KAXTYSDKLPVSHQ-VWYCJHECSA-N 2 1 214.378 1.551 10 0 BDAEMP Cc1ccncc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836836 369085094 /nfs/dbraw/zinc/08/50/94/369085094.db2.gz HQZXUEVWTXVJOM-RYUDHWBXSA-N 2 1 219.332 1.417 10 0 BDAEMP C[C@@H]1C[NH2+]CC[C@@]12[NH2+]C(C)(C)CS2 ZINC000229565700 372166169 /nfs/dbraw/zinc/16/61/69/372166169.db2.gz PSTQFPVZQSBAAI-SCZZXKLOSA-N 2 1 200.351 1.427 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631836719 372625251 /nfs/dbraw/zinc/62/52/51/372625251.db2.gz FTKHCKMVVAAXRH-AGIUHOORSA-N 2 1 226.364 1.472 10 0 BDAEMP OC[C@H]1CC[N@@H+](CCC[NH+]2CCCCCC2)C1 ZINC000049474441 183152254 /nfs/dbraw/zinc/15/22/54/183152254.db2.gz YMZKBSQATOBTIP-AWEZNQCLSA-N 2 1 240.391 1.567 10 0 BDAEMP CCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862543 169074999 /nfs/dbraw/zinc/07/49/99/169074999.db2.gz OIVCNTZAIVQPRN-LBPRGKRZSA-N 2 1 228.380 1.421 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904451 183190206 /nfs/dbraw/zinc/19/02/06/183190206.db2.gz UPKNQDIAOVAOOI-IACUBPJLSA-N 2 1 238.375 1.364 10 0 BDAEMP CCC[N@H+](CC)CC[NH2+]CC1CCOCC1 ZINC000119040379 169123610 /nfs/dbraw/zinc/12/36/10/169123610.db2.gz CUSXHXHJCKYZQP-UHFFFAOYSA-N 2 1 228.380 1.735 10 0 BDAEMP CCC[N@@H+](CC)CC[NH2+]CC1CCOCC1 ZINC000119040379 169123611 /nfs/dbraw/zinc/12/36/11/169123611.db2.gz CUSXHXHJCKYZQP-UHFFFAOYSA-N 2 1 228.380 1.735 10 0 BDAEMP CCC[NH2+]CC1CC[NH+](Cc2ncccn2)CC1 ZINC000054460408 169256894 /nfs/dbraw/zinc/25/68/94/169256894.db2.gz DTLIXWBCWNONMH-UHFFFAOYSA-N 2 1 248.374 1.688 10 0 BDAEMP CCC[NH2+]C[C@@H](O)C[N@@H+](CCOC)[C@@H](C)CC ZINC000042580679 169262316 /nfs/dbraw/zinc/26/23/16/169262316.db2.gz NDXPUWXXOYVXSI-QWHCGFSZSA-N 2 1 246.395 1.094 10 0 BDAEMP CCC[NH2+][C@H](C)[C@@H](C)N1CC[N@@H+](C)[C@H](CC)C1 ZINC000104142882 169285783 /nfs/dbraw/zinc/28/57/83/169285783.db2.gz FSBOHFJUKGUFGL-MGPQQGTHSA-N 2 1 241.423 1.789 10 0 BDAEMP CCC[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104421512 169264822 /nfs/dbraw/zinc/26/48/22/169264822.db2.gz CFYLVLYKQMTYMH-MCIONIFRSA-N 2 1 240.391 1.611 10 0 BDAEMP CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000049694010 169282272 /nfs/dbraw/zinc/28/22/72/169282272.db2.gz FLHHNUFXGIIPSE-MELADBBJSA-N 2 1 240.391 1.875 10 0 BDAEMP COC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000319225151 384214036 /nfs/dbraw/zinc/21/40/36/384214036.db2.gz UGTRSKWHGFIZAV-YNEHKIRRSA-N 2 1 238.375 1.615 10 0 BDAEMP Cc1cc[nH+]c(N(C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000095071080 384339586 /nfs/dbraw/zinc/33/95/86/384339586.db2.gz XYZONIOFSLANNJ-GFCCVEGCSA-N 2 1 219.332 1.826 10 0 BDAEMP [NH3+][C@H](CCO)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095077233 384352887 /nfs/dbraw/zinc/35/28/87/384352887.db2.gz PYWOWVDBIHYQJK-LSDHHAIUSA-N 2 1 248.370 1.608 10 0 BDAEMP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1ccc[nH]1 ZINC000095068305 384329869 /nfs/dbraw/zinc/32/98/69/384329869.db2.gz BNGCEMOQZAFMLM-JFGNBEQYSA-N 2 1 207.321 1.935 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]Cc1cnn(C)c1C ZINC000229807073 384434427 /nfs/dbraw/zinc/43/44/27/384434427.db2.gz RRZXOWARHWONHF-UHFFFAOYSA-N 2 1 233.319 1.023 10 0 BDAEMP Fc1ccc(F)c(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000258930367 384951661 /nfs/dbraw/zinc/95/16/61/384951661.db2.gz PKWIQIOPTYWAPT-VIFPVBQESA-N 2 1 226.270 1.664 10 0 BDAEMP COC[C@@H](C)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000368438277 384954183 /nfs/dbraw/zinc/95/41/83/384954183.db2.gz KJGDQWBJNPARKD-MNOVXSKESA-N 2 1 223.320 1.070 10 0 BDAEMP [NH3+][C@H]1CCC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000335581044 384936036 /nfs/dbraw/zinc/93/60/36/384936036.db2.gz MBAXLSRXZRNBMI-IUCAKERBSA-N 2 1 225.723 1.839 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccns3)C[C@H]12 ZINC000404506805 385025834 /nfs/dbraw/zinc/02/58/34/385025834.db2.gz MUHKJPXLTMLZNC-DVVUODLYSA-N 2 1 223.345 1.312 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccns3)C[C@H]12 ZINC000404506805 385025837 /nfs/dbraw/zinc/02/58/37/385025837.db2.gz MUHKJPXLTMLZNC-DVVUODLYSA-N 2 1 223.345 1.312 10 0 BDAEMP Cc1ccc(N(C)CC2CC[NH2+]CC2)[nH+]c1 ZINC000086703961 385039788 /nfs/dbraw/zinc/03/97/88/385039788.db2.gz UVUHRKNSFKFFGL-UHFFFAOYSA-N 2 1 219.332 1.826 10 0 BDAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000336770770 385473758 /nfs/dbraw/zinc/47/37/58/385473758.db2.gz WYSGYFZTOPMMJR-RXGFPQBGSA-N 2 1 208.349 1.857 10 0 BDAEMP C[C@@H]1CS[C@@]2(CC[N@H+](C)[C@H](C)C2)[NH2+]1 ZINC000156983429 385478924 /nfs/dbraw/zinc/47/89/24/385478924.db2.gz ZFGVOHFYUDSZBE-OPRDCNLKSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@@H]1CS[C@@]2(CC[N@@H+](C)[C@H](C)C2)[NH2+]1 ZINC000156983429 385478927 /nfs/dbraw/zinc/47/89/27/385478927.db2.gz ZFGVOHFYUDSZBE-OPRDCNLKSA-N 2 1 200.351 1.522 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCO)C2)[nH+]1 ZINC000171651461 385503524 /nfs/dbraw/zinc/50/35/24/385503524.db2.gz JFNNFODAYLYUHQ-ZDUSSCGKSA-N 2 1 249.358 1.506 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCO)C2)[nH+]1 ZINC000171651461 385503527 /nfs/dbraw/zinc/50/35/27/385503527.db2.gz JFNNFODAYLYUHQ-ZDUSSCGKSA-N 2 1 249.358 1.506 10 0 BDAEMP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000307152726 385662389 /nfs/dbraw/zinc/66/23/89/385662389.db2.gz AMKDIYGKYKBDCE-BDAKNGLRSA-N 2 1 204.264 1.373 10 0 BDAEMP COC[C@H]1CCCC[N@H+](CC[NH2+]C(C)C)C1 ZINC000309635210 385757863 /nfs/dbraw/zinc/75/78/63/385757863.db2.gz JCRXZLRVIYQIAH-ZDUSSCGKSA-N 2 1 228.380 1.733 10 0 BDAEMP COC[C@H]1CCCC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000309635210 385757864 /nfs/dbraw/zinc/75/78/64/385757864.db2.gz JCRXZLRVIYQIAH-ZDUSSCGKSA-N 2 1 228.380 1.733 10 0 BDAEMP C[NH2+][C@H]1CC[N@@H+](C2CSC2)C[C@H]1C ZINC000575565090 386056700 /nfs/dbraw/zinc/05/67/00/386056700.db2.gz CLGLAHHNBGDJPS-SCZZXKLOSA-N 2 1 200.351 1.032 10 0 BDAEMP C[NH2+][C@H]1CC[N@H+](C2CSC2)C[C@H]1C ZINC000575565090 386056705 /nfs/dbraw/zinc/05/67/05/386056705.db2.gz CLGLAHHNBGDJPS-SCZZXKLOSA-N 2 1 200.351 1.032 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)CS1 ZINC000575593057 386358905 /nfs/dbraw/zinc/35/89/05/386358905.db2.gz VMGHHFNQADQFJQ-JXUBOQSCSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])C[C@@H]2C)CS1 ZINC000575593057 386358909 /nfs/dbraw/zinc/35/89/09/386358909.db2.gz VMGHHFNQADQFJQ-JXUBOQSCSA-N 2 1 200.351 1.302 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000647971016 386454213 /nfs/dbraw/zinc/45/42/13/386454213.db2.gz PFTSYZZABDSULZ-ZDUSSCGKSA-N 2 1 233.359 1.652 10 0 BDAEMP CC[N@@H+](CCN[C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000519698274 386534825 /nfs/dbraw/zinc/53/48/25/386534825.db2.gz IKQOQUDQGYUGMU-CHWSQXEVSA-N 2 1 239.407 1.448 10 0 BDAEMP CCN(CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000519698274 386534842 /nfs/dbraw/zinc/53/48/42/386534842.db2.gz IKQOQUDQGYUGMU-CHWSQXEVSA-N 2 1 239.407 1.448 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](C)O)C2)[nH+]1 ZINC000248657228 386786575 /nfs/dbraw/zinc/78/65/75/386786575.db2.gz SFNOSHGVQKARAY-STQMWFEESA-N 2 1 249.358 1.505 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](C)O)C2)[nH+]1 ZINC000248657228 386786577 /nfs/dbraw/zinc/78/65/77/386786577.db2.gz SFNOSHGVQKARAY-STQMWFEESA-N 2 1 249.358 1.505 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CCSC1 ZINC000575588317 387184221 /nfs/dbraw/zinc/18/42/21/387184221.db2.gz AJDDXYGNDHXMGQ-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CCSC1 ZINC000575588317 387184226 /nfs/dbraw/zinc/18/42/26/387184226.db2.gz AJDDXYGNDHXMGQ-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP [NH3+]C1CC(C[N@H+]2CCC=C(Cl)C2)C1 ZINC000575498108 387328052 /nfs/dbraw/zinc/32/80/52/387328052.db2.gz RXTCBECWSGYKBI-UHFFFAOYSA-N 2 1 200.713 1.552 10 0 BDAEMP CC[C@@H](C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000368424379 387352471 /nfs/dbraw/zinc/35/24/71/387352471.db2.gz JMWWVXFPBKFFFN-MNOVXSKESA-N 2 1 207.321 1.834 10 0 BDAEMP C[C@@H]1C[NH2+][C@](C)([C@H]2CCC[NH2+]C2)S1 ZINC000575517185 387428484 /nfs/dbraw/zinc/42/84/84/387428484.db2.gz HOQLQMXBLGMHTG-UTLUCORTSA-N 2 1 200.351 1.427 10 0 BDAEMP C[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCS1 ZINC000575522374 387442268 /nfs/dbraw/zinc/44/22/68/387442268.db2.gz BZLHUOKKNDRPQJ-NXEZZACHSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCS1 ZINC000575522374 387442272 /nfs/dbraw/zinc/44/22/72/387442272.db2.gz BZLHUOKKNDRPQJ-NXEZZACHSA-N 2 1 200.351 1.176 10 0 BDAEMP [NH3+]C1CC(C[N@H+]2CCCSCC2)C1 ZINC000575521472 387452106 /nfs/dbraw/zinc/45/21/06/387452106.db2.gz WNAURNKFJIIBCM-UHFFFAOYSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H]1CS[C@@]2(CC[NH2+]C(C)(C)C2)[NH2+]1 ZINC000575512894 387385400 /nfs/dbraw/zinc/38/54/00/387385400.db2.gz UUVSYVBUBWCCJH-WCBMZHEXSA-N 2 1 200.351 1.570 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129111173 387764346 /nfs/dbraw/zinc/76/43/46/387764346.db2.gz PMHVNMUJBZTBTL-ZIAGYGMSSA-N 2 1 241.423 1.694 10 0 BDAEMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000423015971 387839079 /nfs/dbraw/zinc/83/90/79/387839079.db2.gz ARVQCSBVLOQORK-UTUOFQBUSA-N 2 1 226.364 1.532 10 0 BDAEMP CC(C)OCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193639941 387858613 /nfs/dbraw/zinc/85/86/13/387858613.db2.gz LLJUGWBCDPTEQU-BETUJISGSA-N 2 1 226.364 1.295 10 0 BDAEMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000252459205 135091221 /nfs/dbraw/zinc/09/12/21/135091221.db2.gz WVOZSFOPEULKHG-NWDGAFQWSA-N 2 1 214.353 1.031 10 0 BDAEMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000646089504 388140145 /nfs/dbraw/zinc/14/01/45/388140145.db2.gz WKUMNESDURCBIS-IGHBBLSQSA-N 2 1 238.375 1.220 10 0 BDAEMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000646089504 388140146 /nfs/dbraw/zinc/14/01/46/388140146.db2.gz WKUMNESDURCBIS-IGHBBLSQSA-N 2 1 238.375 1.220 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166592774 388255232 /nfs/dbraw/zinc/25/52/32/388255232.db2.gz MHPDAJAMKLSBIX-YNEHKIRRSA-N 2 1 240.391 1.610 10 0 BDAEMP C[N@H+](Cc1ccccc1)[C@H]1CCNC[C@@H]1F ZINC000575458651 388800716 /nfs/dbraw/zinc/80/07/16/388800716.db2.gz KMNKVEKMMUFWDN-STQMWFEESA-N 2 1 222.307 1.818 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCNC[C@@H]1F ZINC000575458651 388800718 /nfs/dbraw/zinc/80/07/18/388800718.db2.gz KMNKVEKMMUFWDN-STQMWFEESA-N 2 1 222.307 1.818 10 0 BDAEMP CC1C[NH+]([C@@]2(C[NH3+])CSC[C@@H]2C)C1 ZINC000575494713 388954821 /nfs/dbraw/zinc/95/48/21/388954821.db2.gz XMDRXUNRRZMKGX-UWVGGRQHSA-N 2 1 200.351 1.019 10 0 BDAEMP Cc1cccc(N2CC[NH+](CCC(N)=[NH2+])CC2)c1 ZINC000019485299 132325525 /nfs/dbraw/zinc/32/55/25/132325525.db2.gz QPNXVCGGLVFTCO-UHFFFAOYSA-N 2 1 246.358 1.443 10 0 BDAEMP Cc1ccc[nH+]c1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000053704098 132363111 /nfs/dbraw/zinc/36/31/11/132363111.db2.gz IMHOHZAAAOCBSL-NWDGAFQWSA-N 2 1 219.332 1.954 10 0 BDAEMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000223865359 134342818 /nfs/dbraw/zinc/34/28/18/134342818.db2.gz OEIBJNPWABBFFY-GXTWGEPZSA-N 2 1 240.391 1.611 10 0 BDAEMP Cc1c[nH+]ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000248667661 135018685 /nfs/dbraw/zinc/01/86/85/135018685.db2.gz PYWBOCBUKIKMMS-LBPRGKRZSA-N 2 1 217.316 1.674 10 0 BDAEMP CCc1cc(N[C@@H](C)CCC[NH3+])nc(C)[nH+]1 ZINC000087362259 135126957 /nfs/dbraw/zinc/12/69/57/135126957.db2.gz NMQWIWASENCGMQ-VIFPVBQESA-N 2 1 222.336 1.887 10 0 BDAEMP CC1(C)C[N@@H+](C[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261535937 135170159 /nfs/dbraw/zinc/17/01/59/135170159.db2.gz PSYRUYYZQBUXTL-WDEREUQCSA-N 2 1 212.337 1.082 10 0 BDAEMP CCc1cc(NC[C@H](C)C[NH3+])nc(C)[nH+]1 ZINC000084082446 135182847 /nfs/dbraw/zinc/18/28/47/135182847.db2.gz LJDPGTKMHXRANP-MRVPVSSYSA-N 2 1 208.309 1.354 10 0 BDAEMP CC1(C)C[N@@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000261547876 135241152 /nfs/dbraw/zinc/24/11/52/135241152.db2.gz ITQZJDXIIWEMDL-CYBMUJFWSA-N 2 1 233.359 1.683 10 0 BDAEMP C[C@H](c1cnn(C)c1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262034420 135275272 /nfs/dbraw/zinc/27/52/72/135275272.db2.gz OJYKYJQUNAGERT-YPMHNXCESA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@H](c1cnn(C)c1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262034420 135275274 /nfs/dbraw/zinc/27/52/74/135275274.db2.gz OJYKYJQUNAGERT-YPMHNXCESA-N 2 1 236.363 1.413 10 0 BDAEMP NCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000262964297 135324733 /nfs/dbraw/zinc/32/47/33/135324733.db2.gz LAKYMPCIIAQXNP-KGLIPLIRSA-N 2 1 234.343 1.533 10 0 BDAEMP Cn1cncc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000179271524 397852182 /nfs/dbraw/zinc/85/21/82/397852182.db2.gz HTQWKNRDBUZMIG-GFCCVEGCSA-N 2 1 245.330 1.281 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1c(F)cccc1Br ZINC000307174949 398005962 /nfs/dbraw/zinc/00/59/62/398005962.db2.gz RLRDPZWVLFDAGR-QMMMGPOBSA-N 2 1 247.111 1.937 10 0 BDAEMP Clc1c[nH+]ccc1NCCC1CC[NH2+]CC1 ZINC000650312102 398096911 /nfs/dbraw/zinc/09/69/11/398096911.db2.gz LYWGBOZXTCDGDV-UHFFFAOYSA-N 2 1 239.750 1.959 10 0 BDAEMP CSc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000259032275 322881152 /nfs/dbraw/zinc/88/11/52/322881152.db2.gz OUJIAGAAABRBEP-LBPRGKRZSA-N 2 1 236.384 1.903 10 0 BDAEMP Cc1ccsc1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000259174218 322882321 /nfs/dbraw/zinc/88/23/21/322882321.db2.gz VWJSAUKQOMGESA-SNVBAGLBSA-N 2 1 210.346 1.551 10 0 BDAEMP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000651297135 410903325 /nfs/dbraw/zinc/90/33/25/410903325.db2.gz NRWGGZMICJKBQG-LBPRGKRZSA-N 2 1 242.407 1.857 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CCCN1c1[nH+]ccn1C ZINC000053694340 167114602 /nfs/dbraw/zinc/11/46/02/167114602.db2.gz MVNLASODTGDKLK-LLVKDONJSA-N 2 1 222.336 1.387 10 0 BDAEMP CC(C)[C@@H](CN(C)C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629120 167394816 /nfs/dbraw/zinc/39/48/16/167394816.db2.gz FFXBBQVBFGPBHL-WTUNAVPPSA-N 2 1 239.407 1.527 10 0 BDAEMP CC(C)[C@@H](C[NH+](C)C)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629120 167394818 /nfs/dbraw/zinc/39/48/18/167394818.db2.gz FFXBBQVBFGPBHL-WTUNAVPPSA-N 2 1 239.407 1.527 10 0 BDAEMP CN(C)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000062965785 411335133 /nfs/dbraw/zinc/33/51/33/411335133.db2.gz GNTBONZGZOSQPQ-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP CCC(C)(C)[NH2+]C[C@H](C)N1CCC[N@@H+](C)CC1 ZINC000053487761 168298743 /nfs/dbraw/zinc/29/87/43/168298743.db2.gz GWDMLNQJMKYABX-ZDUSSCGKSA-N 2 1 241.423 1.791 10 0 BDAEMP C[C@H]([NH3+])CNc1[nH+]c2ccccc2n1C ZINC000070609145 411414994 /nfs/dbraw/zinc/41/49/94/411414994.db2.gz BBQQWWLLKQHKEX-QMMMGPOBSA-N 2 1 204.277 1.332 10 0 BDAEMP 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10 0 BDAEMP CC[N@@H+]1CC[C@H](C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000049332489 170015264 /nfs/dbraw/zinc/01/52/64/170015264.db2.gz BJAVVBUKYVHFPZ-CQSZACIVSA-N 3 1 239.407 1.404 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000049332489 170015265 /nfs/dbraw/zinc/01/52/65/170015265.db2.gz BJAVVBUKYVHFPZ-CQSZACIVSA-N 3 1 239.407 1.404 10 0 BDAEMP CC[NH2+]C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000037469353 170108828 /nfs/dbraw/zinc/10/88/28/170108828.db2.gz GBSYTYNKPGCDCU-CYBMUJFWSA-N 2 1 226.364 1.629 10 0 BDAEMP CC[NH2+]CC1(C[N@@H+](CC)C2CC2)CCOCC1 ZINC000052181252 170110417 /nfs/dbraw/zinc/11/04/17/170110417.db2.gz RVSUIFWIJXNSIM-UHFFFAOYSA-N 2 1 240.391 1.877 10 0 BDAEMP CC[NH2+]CCCCC[N@H+]1CCN(C)[C@H](CC)C1 ZINC000104126298 170111404 /nfs/dbraw/zinc/11/14/04/170111404.db2.gz AXFRQBOVFLESKQ-CQSZACIVSA-N 2 1 241.423 1.792 10 0 BDAEMP CC[NH2+]CCCCCN1CC[N@H+](C)[C@H](CC)C1 ZINC000104126298 170111406 /nfs/dbraw/zinc/11/14/06/170111406.db2.gz AXFRQBOVFLESKQ-CQSZACIVSA-N 2 1 241.423 1.792 10 0 BDAEMP CC[NH2+]CCCCCN1CC[N@@H+](C)[C@H](CC)C1 ZINC000104126298 170111407 /nfs/dbraw/zinc/11/14/07/170111407.db2.gz AXFRQBOVFLESKQ-CQSZACIVSA-N 2 1 241.423 1.792 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C[C@@H]2C[C@@H]2C)O1 ZINC000104423848 170121289 /nfs/dbraw/zinc/12/12/89/170121289.db2.gz SOOBHGPHHOCYQJ-XDQVBPFNSA-N 2 1 240.391 1.731 10 0 BDAEMP CC[NH2+]C[C@H]1CCCCN1c1[nH+]ccn1CC ZINC000053698437 170122480 /nfs/dbraw/zinc/12/24/80/170122480.db2.gz KPJBFRPUXJAWCI-GFCCVEGCSA-N 2 1 236.363 1.871 10 0 BDAEMP CC[NH2+][C@@H](CC[N@H+](C)CCO)c1ccccc1 ZINC000053933773 170145320 /nfs/dbraw/zinc/14/53/20/170145320.db2.gz AEURTMITPOWWEK-AWEZNQCLSA-N 2 1 236.359 1.651 10 0 BDAEMP CC[NH2+][C@@H](CC[N@@H+](C)CCO)c1ccccc1 ZINC000053933773 170145322 /nfs/dbraw/zinc/14/53/22/170145322.db2.gz AEURTMITPOWWEK-AWEZNQCLSA-N 2 1 236.359 1.651 10 0 BDAEMP CC[NH2+][C@@H](CC[N@H+](C)C1CCCCC1)C(N)=O ZINC000062442909 170145525 /nfs/dbraw/zinc/14/55/25/170145525.db2.gz JTWJMWAKVPZHMX-LBPRGKRZSA-N 2 1 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230.233 1.720 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227171663 640817039 /nfs/dbraw/zinc/81/70/39/640817039.db2.gz JYPTUFOBVKVQHA-XJFOESAGSA-N 2 1 238.375 1.485 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227171663 640817040 /nfs/dbraw/zinc/81/70/40/640817040.db2.gz JYPTUFOBVKVQHA-XJFOESAGSA-N 2 1 238.375 1.485 10 0 BDAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000071190950 643106748 /nfs/dbraw/zinc/10/67/48/643106748.db2.gz ZKNMXJOIOLOPBS-KGLIPLIRSA-N 3 1 239.407 1.260 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132707 643258120 /nfs/dbraw/zinc/25/81/20/643258120.db2.gz RPUHSDKTTIIYPQ-MJBXVCDLSA-N 2 1 240.391 1.733 10 0 BDAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757142434 643303711 /nfs/dbraw/zinc/30/37/11/643303711.db2.gz LFQZTSFZOQCFPT-GXSJLCMTSA-N 2 1 234.290 1.442 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082539985 643337862 /nfs/dbraw/zinc/33/78/62/643337862.db2.gz PZLVXZPEZITIJS-LBPRGKRZSA-N 2 1 224.348 1.241 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000685946288 644518178 /nfs/dbraw/zinc/51/81/78/644518178.db2.gz NCZNFOVODVZZLY-RYUDHWBXSA-N 2 1 208.280 1.620 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1N(C)C ZINC000251876851 644828541 /nfs/dbraw/zinc/82/85/41/644828541.db2.gz UMAAJOHJSSLERS-UONOGXRCSA-N 2 1 241.423 1.778 10 0 BDAEMP C[C@H]1CN(CCCCCCC[NH3+])C[C@H]1[NH+](C)C ZINC000251876851 644828546 /nfs/dbraw/zinc/82/85/46/644828546.db2.gz UMAAJOHJSSLERS-UONOGXRCSA-N 2 1 241.423 1.778 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669383278 711790003 /nfs/dbraw/zinc/79/00/03/711790003.db2.gz QXASCBWDLAHMMH-VXGBXAGGSA-N 2 1 212.337 1.095 10 0 BDAEMP CCc1ccccc1[C@@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000669384790 711790236 /nfs/dbraw/zinc/79/02/36/711790236.db2.gz GJKUXNJHBZCHMH-STQMWFEESA-N 2 1 204.317 1.653 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@@H]1C[NH3+] ZINC000708892917 712202810 /nfs/dbraw/zinc/20/28/10/712202810.db2.gz GUBFBZWBJKSNAX-ONGXEEELSA-N 2 1 239.750 1.762 10 0 BDAEMP C[N@H+]1CCN(C[C@@H]2CCC[NH2+]C2)CCC1(C)C ZINC000712606276 712436893 /nfs/dbraw/zinc/43/68/93/712436893.db2.gz VHDQQWCCCZTFKG-CYBMUJFWSA-N 2 1 239.407 1.402 10 0 BDAEMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000723633750 711527984 /nfs/dbraw/zinc/52/79/84/711527984.db2.gz LNVUHCZNLMXOJH-SRVKXCTJSA-N 2 1 235.331 1.461 10 0 BDAEMP Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000723646508 711529911 /nfs/dbraw/zinc/52/99/11/711529911.db2.gz IISWPGSUJOZWBF-KWQFWETISA-N 2 1 223.320 1.318 10 0 BDAEMP [NH3+]CC[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000705212567 712123934 /nfs/dbraw/zinc/12/39/34/712123934.db2.gz JBHSISQMZGPHIJ-VIFPVBQESA-N 2 1 231.303 1.133 10 0 BDAEMP C[C@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@@H]1C[NH3+] ZINC000708892917 712202807 /nfs/dbraw/zinc/20/28/07/712202807.db2.gz GUBFBZWBJKSNAX-ONGXEEELSA-N 2 1 239.750 1.762 10 0 BDAEMP C=C/C=C/CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000713735414 712470402 /nfs/dbraw/zinc/47/04/02/712470402.db2.gz NYZJAHMDNJTXCX-UVHMRBEPSA-N 2 1 206.333 1.788 10 0 BDAEMP C=C/C=C\CC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000713758234 712471707 /nfs/dbraw/zinc/47/17/07/712471707.db2.gz QDXQTAXUFOCJFO-QLQVPFRHSA-N 2 1 224.348 1.557 10 0 BDAEMP C=C/C=C\CC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000713758234 712471708 /nfs/dbraw/zinc/47/17/08/712471708.db2.gz QDXQTAXUFOCJFO-QLQVPFRHSA-N 2 1 224.348 1.557 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714783407 712498491 /nfs/dbraw/zinc/49/84/91/712498491.db2.gz SHZZMFDMTHAGRQ-AGIUHOORSA-N 2 1 208.349 1.846 10 0 BDAEMP [NH3+]C[C@@H]1CCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714783407 712498492 /nfs/dbraw/zinc/49/84/92/712498492.db2.gz SHZZMFDMTHAGRQ-AGIUHOORSA-N 2 1 208.349 1.846 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C[NH3+] ZINC000714799524 712498572 /nfs/dbraw/zinc/49/85/72/712498572.db2.gz JVZNOJXVMRMKLX-ZZVYKPCYSA-N 2 1 222.376 1.949 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)nn1 ZINC000720578102 712853776 /nfs/dbraw/zinc/85/37/76/712853776.db2.gz BBDBBEMROFIVSI-YUTCNCBUSA-N 2 1 246.358 1.263 10 0 BDAEMP Cc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c(C)nn1 ZINC000720583851 712854497 /nfs/dbraw/zinc/85/44/97/712854497.db2.gz RCLYPCADPDUHOQ-AWEZNQCLSA-N 2 1 248.374 1.667 10 0 BDAEMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(C)nn1 ZINC000720583851 712854500 /nfs/dbraw/zinc/85/45/00/712854500.db2.gz RCLYPCADPDUHOQ-AWEZNQCLSA-N 2 1 248.374 1.667 10 0 BDAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@]12CCCSC2 ZINC000685952683 538896822 /nfs/dbraw/zinc/89/68/22/538896822.db2.gz CBPPPMBIHPJTRS-GHMZBOCLSA-N 2 1 214.378 1.694 10 0 BDAEMP Cc1cc(F)c([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1F ZINC000685965390 538911753 /nfs/dbraw/zinc/91/17/53/538911753.db2.gz CEXXPLQZQWJIBG-CABZTGNLSA-N 2 1 226.270 1.677 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000685965812 538911877 /nfs/dbraw/zinc/91/18/77/538911877.db2.gz UMTPMPALSYUOGK-KOLCDFICSA-N 2 1 210.708 1.744 10 0 BDAEMP CCC(CC)(C[NH3+])C[N@H+](C)Cc1cnn(C)c1 ZINC000051257286 168322265 /nfs/dbraw/zinc/32/22/65/168322265.db2.gz XKCCDHABPSGDEO-UHFFFAOYSA-N 2 1 238.379 1.617 10 0 BDAEMP CCC(CC)(C[NH3+])C[N@@H+](C)Cc1cnn(C)c1 ZINC000051257286 168322267 /nfs/dbraw/zinc/32/22/67/168322267.db2.gz XKCCDHABPSGDEO-UHFFFAOYSA-N 2 1 238.379 1.617 10 0 BDAEMP CCC(CC)(C[NH2+][C@H]1CC[NH2+]C1)SC ZINC000232953635 168326876 /nfs/dbraw/zinc/32/68/76/168326876.db2.gz AERFRVHLAODMEU-JTQLQIEISA-N 2 1 216.394 1.860 10 0 BDAEMP Cc1ccc(C[C@@H]2C[N@@H+](C)CC[C@@H]2[NH3+])cc1 ZINC000036352047 343978914 /nfs/dbraw/zinc/97/89/14/343978914.db2.gz ZXIGWTDJDQHKDK-KGLIPLIRSA-N 2 1 218.344 1.817 10 0 BDAEMP Cc1cc(N(C)CC[NH2+]C(C)(C)C)nc(C)[nH+]1 ZINC000053692235 178099088 /nfs/dbraw/zinc/09/90/88/178099088.db2.gz KGFWMNVWSWTVCO-UHFFFAOYSA-N 2 1 236.363 1.918 10 0 BDAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCSCC2 ZINC000606282895 538929658 /nfs/dbraw/zinc/92/96/58/538929658.db2.gz FPBIGKVTAPOQBA-SNVBAGLBSA-N 2 1 214.378 1.695 10 0 BDAEMP FC1(F)CCCC[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381701288 398254756 /nfs/dbraw/zinc/25/47/56/398254756.db2.gz OVBIAVFMWYLHQJ-GRYCIOLGSA-N 2 1 244.329 1.963 10 0 BDAEMP C[C@H]1CC[C@@H](O)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000647997422 398255326 /nfs/dbraw/zinc/25/53/26/398255326.db2.gz BOFBDHWWDRXIQS-WCQYABFASA-N 2 1 226.364 1.221 10 0 BDAEMP FC1(F)CCCC[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381701293 398270232 /nfs/dbraw/zinc/27/02/32/398270232.db2.gz OVBIAVFMWYLHQJ-TUAOUCFPSA-N 2 1 244.329 1.963 10 0 BDAEMP C[C@@H]1C[N@H+](CC(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000225238554 398285015 /nfs/dbraw/zinc/28/50/15/398285015.db2.gz AJBBGKDSFRPANV-VHSXEESVSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000225238554 398285019 /nfs/dbraw/zinc/28/50/19/398285019.db2.gz AJBBGKDSFRPANV-VHSXEESVSA-N 2 1 200.326 1.081 10 0 BDAEMP Cc1n[nH]cc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000185223800 538970402 /nfs/dbraw/zinc/97/04/02/538970402.db2.gz BTVFETGANIYEAW-ZDUSSCGKSA-N 2 1 245.330 1.579 10 0 BDAEMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C(C)(C)C ZINC000381152440 538995226 /nfs/dbraw/zinc/99/52/26/538995226.db2.gz BBXCQFWEEUBZIV-NSHDSACASA-N 2 1 228.380 1.467 10 0 BDAEMP C[C@H]1CSCC[N@@H+]1C[C@](C)([NH3+])C1CC1 ZINC000069762466 342839468 /nfs/dbraw/zinc/83/94/68/342839468.db2.gz MKEYHTRYGHWONL-ONGXEEELSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@H]1CSCC[N@H+]1C[C@](C)([NH3+])C1CC1 ZINC000069762466 342839469 /nfs/dbraw/zinc/83/94/69/342839469.db2.gz MKEYHTRYGHWONL-ONGXEEELSA-N 2 1 214.378 1.551 10 0 BDAEMP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1CCCSCC1 ZINC000042444482 362000445 /nfs/dbraw/zinc/00/04/45/362000445.db2.gz ZNISZUCQEKNHOK-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP COC(C)(C)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000159220800 349757078 /nfs/dbraw/zinc/75/70/78/349757078.db2.gz SEQKNTNBLZLMAD-VHSXEESVSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@H]([NH3+])C(C)(C)C[N@@H+]1CCO[C@@H](C)C1 ZINC000227285857 343722655 /nfs/dbraw/zinc/72/26/55/343722655.db2.gz ZBRHWOUHXJJJLE-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1CCO[C@@H](C)C1 ZINC000227285857 343722657 /nfs/dbraw/zinc/72/26/57/343722657.db2.gz ZBRHWOUHXJJJLE-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[N@@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000043501203 343780917 /nfs/dbraw/zinc/78/09/17/343780917.db2.gz RNWKFQHQUFJJKZ-SNVBAGLBSA-N 2 1 200.351 1.176 10 0 BDAEMP CC[N@@H+](C1CC[NH2+]CC1)C1CCSCC1 ZINC000409425671 343820230 /nfs/dbraw/zinc/82/02/30/343820230.db2.gz BCCFHLWODSIVNI-UHFFFAOYSA-N 2 1 228.405 1.956 10 0 BDAEMP CCOC[C@H]1C[N@H+](CC[NH3+])CC12CCCCC2 ZINC000409425676 343820366 /nfs/dbraw/zinc/82/03/66/343820366.db2.gz BCHXTKZDPYZKPF-CYBMUJFWSA-N 2 1 240.391 1.864 10 0 BDAEMP CCOC[C@H]1C[N@@H+](CC[NH3+])CC12CCCCC2 ZINC000409425676 343820367 /nfs/dbraw/zinc/82/03/67/343820367.db2.gz BCHXTKZDPYZKPF-CYBMUJFWSA-N 2 1 240.391 1.864 10 0 BDAEMP CCO[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000409434553 343832121 /nfs/dbraw/zinc/83/21/21/343832121.db2.gz PUHSFJAWBULANT-VIFPVBQESA-N 2 1 240.269 1.379 10 0 BDAEMP CCO[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH3+])C1 ZINC000409434553 343832124 /nfs/dbraw/zinc/83/21/24/343832124.db2.gz PUHSFJAWBULANT-VIFPVBQESA-N 2 1 240.269 1.379 10 0 BDAEMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000212357681 344734687 /nfs/dbraw/zinc/73/46/87/344734687.db2.gz GWBMUSWFUMWNQZ-KBPBESRZSA-N 2 1 234.343 1.218 10 0 BDAEMP C[C@H]1SCC[C@H]1[N@H+]1CCC[NH2+]CC1 ZINC000235647485 344966448 /nfs/dbraw/zinc/96/64/48/344966448.db2.gz HMEURXZLWQQYLQ-NXEZZACHSA-N 2 1 200.351 1.176 10 0 BDAEMP CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000248248264 345088361 /nfs/dbraw/zinc/08/83/61/345088361.db2.gz KRFQBCLKCBRFQB-LSDHHAIUSA-N 2 1 248.370 1.479 10 0 BDAEMP CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000248248264 345088365 /nfs/dbraw/zinc/08/83/65/345088365.db2.gz KRFQBCLKCBRFQB-LSDHHAIUSA-N 2 1 248.370 1.479 10 0 BDAEMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998192 345198533 /nfs/dbraw/zinc/19/85/33/345198533.db2.gz CBHBPTDMESUQOY-KWQFWETISA-N 2 1 222.336 1.053 10 0 BDAEMP COC1(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000634998289 345198574 /nfs/dbraw/zinc/19/85/74/345198574.db2.gz CYQZLRRFPCUXBB-NWDGAFQWSA-N 2 1 226.364 1.472 10 0 BDAEMP COCC(C)(C)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999391 345199933 /nfs/dbraw/zinc/19/99/33/345199933.db2.gz UBAFIQWGPWAOTP-MNOVXSKESA-N 2 1 214.353 1.186 10 0 BDAEMP CCc1nn(C)cc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999687 345200222 /nfs/dbraw/zinc/20/02/22/345200222.db2.gz XWZIJMMOSXQAEO-QWRGUYRKSA-N 2 1 236.363 1.009 10 0 BDAEMP CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@]1(O)C[NH3+] ZINC000307700345 345904079 /nfs/dbraw/zinc/90/40/79/345904079.db2.gz LWSCMQGDXGIKOZ-LSDHHAIUSA-N 2 1 248.370 1.608 10 0 BDAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCO)C2)[nH+]1 ZINC000171651462 179147621 /nfs/dbraw/zinc/14/76/21/179147621.db2.gz JFNNFODAYLYUHQ-CYBMUJFWSA-N 2 1 249.358 1.506 10 0 BDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCO)C2)[nH+]1 ZINC000171651462 179147624 /nfs/dbraw/zinc/14/76/24/179147624.db2.gz JFNNFODAYLYUHQ-CYBMUJFWSA-N 2 1 249.358 1.506 10 0 BDAEMP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000188158525 346792272 /nfs/dbraw/zinc/79/22/72/346792272.db2.gz SSRVKGLYBUDOQS-ZIAGYGMSSA-N 2 1 242.407 1.979 10 0 BDAEMP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000188158525 346792275 /nfs/dbraw/zinc/79/22/75/346792275.db2.gz SSRVKGLYBUDOQS-ZIAGYGMSSA-N 2 1 242.407 1.979 10 0 BDAEMP C[N@H+](Cc1ccccc1)[C@H]1CCC[C@H]1[NH3+] ZINC000250243640 362797365 /nfs/dbraw/zinc/79/73/65/362797365.db2.gz RZVSOYGQEATDPB-OLZOCXBDSA-N 2 1 204.317 1.998 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@H]1[NH3+] ZINC000250243640 362797371 /nfs/dbraw/zinc/79/73/71/362797371.db2.gz RZVSOYGQEATDPB-OLZOCXBDSA-N 2 1 204.317 1.998 10 0 BDAEMP COc1ccc(C[C@H]2C[N@@H+](C)CC[C@H]2[NH3+])cc1 ZINC000250613252 362812418 /nfs/dbraw/zinc/81/24/18/362812418.db2.gz NGBQUSZMCAZIFG-GXTWGEPZSA-N 2 1 234.343 1.517 10 0 BDAEMP Cc1cccnc1N1CCC[N@@H+](CCC[NH3+])CC1 ZINC000051040734 179388334 /nfs/dbraw/zinc/38/83/34/179388334.db2.gz ZGIOJEFBRCCADH-UHFFFAOYSA-N 2 1 248.374 1.251 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000251736601 362902262 /nfs/dbraw/zinc/90/22/62/362902262.db2.gz KPEOYBKZSKYBFZ-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP Cc1c[nH+]ccc1N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248673441 349144888 /nfs/dbraw/zinc/14/48/88/349144888.db2.gz RXWRINDYAINHGR-OLZOCXBDSA-N 2 1 249.358 1.281 10 0 BDAEMP Cc1[nH+]c2cccc(F)c2c(N)c1C[NH3+] ZINC000013864112 180100419 /nfs/dbraw/zinc/10/04/19/180100419.db2.gz DXBPQTURQLXETO-UHFFFAOYSA-N 2 1 205.236 1.723 10 0 BDAEMP Cc1nccn1CC[N@@H+](CCC(N)=[NH2+])C(C)C ZINC000042529814 180252455 /nfs/dbraw/zinc/25/24/55/180252455.db2.gz PKTRUGIHBGJOSB-UHFFFAOYSA-N 2 1 237.351 1.228 10 0 BDAEMP Cc1[nH+]ccn1Cc1cc(C[NH3+])ccc1F ZINC000019271708 180269303 /nfs/dbraw/zinc/26/93/03/180269303.db2.gz CDYVDMAVFNPKIW-UHFFFAOYSA-N 2 1 219.263 1.838 10 0 BDAEMP Cc1[nH+]cn([C@H](C[NH3+])c2cccnc2)c1C ZINC000051925642 180289131 /nfs/dbraw/zinc/28/91/31/180289131.db2.gz GNOZSDJBFHYNER-GFCCVEGCSA-N 2 1 216.288 1.443 10 0 BDAEMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)C1 ZINC000725264056 538090876 /nfs/dbraw/zinc/09/08/76/538090876.db2.gz BDCJBKHYIISULX-FRRDWIJNSA-N 2 1 238.375 1.615 10 0 BDAEMP [NH3+]Cc1ccc2c(c1)C[N@H+](CC1CC1)CCO2 ZINC000409424031 350475854 /nfs/dbraw/zinc/47/58/54/350475854.db2.gz WRWGKEYPQRLGJR-UHFFFAOYSA-N 2 1 232.327 1.750 10 0 BDAEMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCCSC2)C1 ZINC000306730752 350900234 /nfs/dbraw/zinc/90/02/34/350900234.db2.gz PUINPPUZGHJFPV-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCSC2)C1 ZINC000306730752 350900237 /nfs/dbraw/zinc/90/02/37/350900237.db2.gz PUINPPUZGHJFPV-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP COC1(C)CC[NH+]([C@@H](C)[C@H](C)[NH3+])CC1 ZINC000306803349 351057589 /nfs/dbraw/zinc/05/75/89/351057589.db2.gz AHENBRRGQBGHPT-UWVGGRQHSA-N 2 1 200.326 1.223 10 0 BDAEMP COc1cc(OC)cc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000725268152 538100039 /nfs/dbraw/zinc/10/00/39/538100039.db2.gz FIHJVGPIOGDBOE-CHWSQXEVSA-N 2 1 236.315 1.108 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000386584478 363017214 /nfs/dbraw/zinc/01/72/14/363017214.db2.gz IBSCDKZSCMHITK-AVGNSLFASA-N 2 1 247.342 1.259 10 0 BDAEMP CS[C@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000307139220 351495089 /nfs/dbraw/zinc/49/50/89/351495089.db2.gz HQKIFGOPBIMRSK-ZJUUUORDSA-N 2 1 200.351 1.176 10 0 BDAEMP CS[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000307139220 351495093 /nfs/dbraw/zinc/49/50/93/351495093.db2.gz HQKIFGOPBIMRSK-ZJUUUORDSA-N 2 1 200.351 1.176 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@H]1CC[C@@]([NH3+])(CO)C1 ZINC000307159219 351509703 /nfs/dbraw/zinc/50/97/03/351509703.db2.gz UEIFDFMSGWKHLX-KBPBESRZSA-N 2 1 234.343 1.361 10 0 BDAEMP C[C@H]1SCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 ZINC000307245277 351753422 /nfs/dbraw/zinc/75/34/22/351753422.db2.gz MBGQGVJQQGZIQM-WOOKNIGNSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1CS[C@]2(CC[N@@H+](C)C[C@H]2C)[NH2+]1 ZINC000307249782 351755842 /nfs/dbraw/zinc/75/58/42/351755842.db2.gz OWWGSVCZEPSJHL-BBBLOLIVSA-N 2 1 200.351 1.379 10 0 BDAEMP C[C@@H](C(=O)N1CC[NH+]=C1CC[NH3+])C(C)(C)C ZINC000725272496 538104053 /nfs/dbraw/zinc/10/40/53/538104053.db2.gz MPAXPZRJTQVBKL-VIFPVBQESA-N 2 1 225.336 1.258 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000300352630 352559702 /nfs/dbraw/zinc/55/97/02/352559702.db2.gz NQUUWWUYQZIXLO-GUBZILKMSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@H+]1CCC[C@H]([NH3+])C1 ZINC000300352630 352559705 /nfs/dbraw/zinc/55/97/05/352559705.db2.gz NQUUWWUYQZIXLO-GUBZILKMSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CCC[N@H+](C2CCN(CC[NH3+])CC2)[C@H]1C ZINC000725273881 538104787 /nfs/dbraw/zinc/10/47/87/538104787.db2.gz PUFBTIVFNBPWMY-OLZOCXBDSA-N 2 1 239.407 1.530 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+](CCC(F)F)C1 ZINC000307663050 352748384 /nfs/dbraw/zinc/74/83/84/352748384.db2.gz IIFBJNFNTCQQIO-VIFPVBQESA-N 2 1 206.280 1.573 10 0 BDAEMP C[C@@H]1C[C@H](C[NH3+])CN1c1[nH+]cnc2[nH]ccc21 ZINC000420223220 192178567 /nfs/dbraw/zinc/17/85/67/192178567.db2.gz ZSIOYMCZQGQCOI-RKDXNWHRSA-N 2 1 231.303 1.131 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405807922 355301972 /nfs/dbraw/zinc/30/19/72/355301972.db2.gz RVKCXGVBJNHHGN-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@]1(C[NH3+])CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000420242908 192184470 /nfs/dbraw/zinc/18/44/70/192184470.db2.gz NMPSWYUGHCHSBT-LBPRGKRZSA-N 2 1 231.303 1.133 10 0 BDAEMP C[C@H]1CSCC[N@@H+]1C[C@@](C)([NH3+])C1CC1 ZINC000226403123 356478716 /nfs/dbraw/zinc/47/87/16/356478716.db2.gz MKEYHTRYGHWONL-GXSJLCMTSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@H]1CSCC[N@H+]1C[C@@](C)([NH3+])C1CC1 ZINC000226403123 356478719 /nfs/dbraw/zinc/47/87/19/356478719.db2.gz MKEYHTRYGHWONL-GXSJLCMTSA-N 2 1 214.378 1.551 10 0 BDAEMP COC1CCC(C2=C[C@@H]([NH3+])C[NH2+]C2)CC1 ZINC000675078485 538515914 /nfs/dbraw/zinc/51/59/14/538515914.db2.gz QBSWTOVRXYUKSZ-CKBZRRDASA-N 2 1 210.321 1.049 10 0 BDAEMP COC[C@@H](C)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226451523 358340051 /nfs/dbraw/zinc/34/00/51/358340051.db2.gz IPGWCSUFAGNMFG-NWDGAFQWSA-N 2 1 214.353 1.343 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CSC[C@@H]2C)C[C@@H]1[NH3+] ZINC000306191975 359019576 /nfs/dbraw/zinc/01/95/76/359019576.db2.gz PUGSWBZRHQSBHM-XFWSIPNHSA-N 2 1 200.351 1.017 10 0 BDAEMP CSC1(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)CC1 ZINC000306230586 359366266 /nfs/dbraw/zinc/36/62/66/359366266.db2.gz ZTLLDRNUNHUGMV-VHSXEESVSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@H]1[C@H](NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000306440767 360005718 /nfs/dbraw/zinc/00/57/18/360005718.db2.gz KUIUBFJHGZESNY-CMPLNLGQSA-N 2 1 232.331 1.132 10 0 BDAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CCSC[C@@H]1C ZINC000306532671 360392415 /nfs/dbraw/zinc/39/24/15/360392415.db2.gz BZMUPNAIEDWXFZ-VWYCJHECSA-N 2 1 214.378 1.422 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000448549073 201216163 /nfs/dbraw/zinc/21/61/63/201216163.db2.gz NRIPULNJIKQZBW-WCQYABFASA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000448549073 201216166 /nfs/dbraw/zinc/21/61/66/201216166.db2.gz NRIPULNJIKQZBW-WCQYABFASA-N 2 1 237.347 1.427 10 0 BDAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCn1ccnc1 ZINC000054629584 181345114 /nfs/dbraw/zinc/34/51/14/181345114.db2.gz QBRSUPSBTKQRKR-AGUYFDCRSA-N 2 1 248.374 1.617 10 0 BDAEMP C[C@@H]1CC[C@@](C[NH3+])([NH+]2CCSCC2)C1 ZINC000070644398 361693733 /nfs/dbraw/zinc/69/37/33/361693733.db2.gz QNFJCSZIWXHTKP-GHMZBOCLSA-N 2 1 214.378 1.553 10 0 BDAEMP [NH3+]C1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000011729504 181344956 /nfs/dbraw/zinc/34/49/56/181344956.db2.gz XJZZCQMEZDRIRG-JTQLQIEISA-N 2 1 226.345 1.205 10 0 BDAEMP C[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1ccccc1 ZINC000252554216 363892566 /nfs/dbraw/zinc/89/25/66/363892566.db2.gz HEJHVNANPCGZAN-KWCYVHTRSA-N 2 1 216.328 1.726 10 0 BDAEMP C=Cc1ccc([C@H]2CC[NH2+]C[C@H]2[NH3+])cc1 ZINC000725241573 541329854 /nfs/dbraw/zinc/32/98/54/541329854.db2.gz ZSGISOJMFBOCIA-CHWSQXEVSA-N 2 1 202.301 1.734 10 0 BDAEMP CCC(CC)C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630369132 364086735 /nfs/dbraw/zinc/08/67/35/364086735.db2.gz VJNYUKXOETZUMO-STQMWFEESA-N 2 1 228.380 1.861 10 0 BDAEMP C[NH2+]CCOCCN(C)c1cc[nH+]cc1Cl ZINC000630530283 364218720 /nfs/dbraw/zinc/21/87/20/364218720.db2.gz IVBHGMFGNNXDQQ-UHFFFAOYSA-N 2 1 243.738 1.407 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCCOCC2)CCCC1 ZINC000061934583 181359010 /nfs/dbraw/zinc/35/90/10/181359010.db2.gz VFEUSAVQIXTOPS-UHFFFAOYSA-N 2 1 212.337 1.228 10 0 BDAEMP CCc1nc(N[C@H]2CC[C@H](C[NH3+])CC2)cc(C)[nH+]1 ZINC000630558330 364261064 /nfs/dbraw/zinc/26/10/64/364261064.db2.gz ZQDALGJLUMWMKY-HAQNSBGRSA-N 2 1 248.374 1.699 10 0 BDAEMP [NH3+]CCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000011919734 181380364 /nfs/dbraw/zinc/38/03/64/181380364.db2.gz JNBFJFVKSAWOFC-ZDUSSCGKSA-N 2 1 219.332 1.957 10 0 BDAEMP [NH3+]CCC[NH2+]Cc1cnc2ccccc2n1 ZINC000037713741 181382852 /nfs/dbraw/zinc/38/28/52/181382852.db2.gz OCMIKAHSICPXTL-UHFFFAOYSA-N 2 1 216.288 1.068 10 0 BDAEMP Cc1c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cnn1C ZINC000168846990 365018672 /nfs/dbraw/zinc/01/86/72/365018672.db2.gz TXTSTPCJCKTJFC-CABZTGNLSA-N 2 1 222.336 1.040 10 0 BDAEMP Cc1c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cnn1C ZINC000168846990 365018680 /nfs/dbraw/zinc/01/86/80/365018680.db2.gz TXTSTPCJCKTJFC-CABZTGNLSA-N 2 1 222.336 1.040 10 0 BDAEMP C[C@H](C[N@H+]1CCS[C@H](C)[C@@H]1C)C(N)=[NH2+] ZINC000253080386 368472650 /nfs/dbraw/zinc/47/26/50/368472650.db2.gz VKMLZBJAIIZLSM-HRDYMLBCSA-N 2 1 215.366 1.384 10 0 BDAEMP CO[C@H](C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631836833 369085080 /nfs/dbraw/zinc/08/50/80/369085080.db2.gz HQWKNAMIYXMLGD-VHDGCEQUSA-N 2 1 248.370 1.901 10 0 BDAEMP C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838149 369118542 /nfs/dbraw/zinc/11/85/42/369118542.db2.gz JOGYLPHSCQKIFH-UTUOFQBUSA-N 2 1 219.332 1.669 10 0 BDAEMP CC(C)CCOCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841833 369358821 /nfs/dbraw/zinc/35/88/21/369358821.db2.gz QPKXXJWCSCLMEJ-QWHCGFSZSA-N 2 1 228.380 1.576 10 0 BDAEMP CSCC[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C ZINC000131552896 371622217 /nfs/dbraw/zinc/62/22/17/371622217.db2.gz VPTVSECZTVZNEK-NXEZZACHSA-N 2 1 202.367 1.422 10 0 BDAEMP CC[C@@](C)([NH3+])C[N@@H+]1CCCO[C@@H](C)C1 ZINC000226694082 371726722 /nfs/dbraw/zinc/72/67/22/371726722.db2.gz KCWBCNRRGFNKBX-WDEREUQCSA-N 2 1 200.326 1.225 10 0 BDAEMP CC[C@@](C)([NH3+])C[N@H+]1CCCO[C@@H](C)C1 ZINC000226694082 371726727 /nfs/dbraw/zinc/72/67/27/371726727.db2.gz KCWBCNRRGFNKBX-WDEREUQCSA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@H+]1CC1C[NH2+]C1 ZINC000132513219 371844412 /nfs/dbraw/zinc/84/44/12/371844412.db2.gz RTYGXWTZAGWPCR-BDAKNGLRSA-N 2 1 200.351 1.032 10 0 BDAEMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000631838427 372631285 /nfs/dbraw/zinc/63/12/85/372631285.db2.gz OAIUVJNHVBPYEO-SCZZXKLOSA-N 2 1 225.361 1.478 10 0 BDAEMP Cc1ncsc1CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840330 372636354 /nfs/dbraw/zinc/63/63/54/372636354.db2.gz RMXGIDPUNDRNSU-GXSJLCMTSA-N 2 1 239.388 1.521 10 0 BDAEMP Cc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842643 372640465 /nfs/dbraw/zinc/64/04/65/372640465.db2.gz CZNASGPBJWVEIJ-KCJUWKMLSA-N 2 1 223.320 1.318 10 0 BDAEMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C/C=C\Cl)C2 ZINC000379664000 373037331 /nfs/dbraw/zinc/03/73/31/373037331.db2.gz UITIKJHIMDXKGN-OWPBXUSHSA-N 2 1 214.740 1.800 10 0 BDAEMP CC[NH2+]CCc1csc(C[NH+](C)C)n1 ZINC000076809280 170118136 /nfs/dbraw/zinc/11/81/36/170118136.db2.gz IGDPUCUEHUAVOM-UHFFFAOYSA-N 2 1 213.350 1.357 10 0 BDAEMP CCC[NH+]1CCC([N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000049557921 169186448 /nfs/dbraw/zinc/18/64/48/169186448.db2.gz UJUBVMYUKWOIIE-GFCCVEGCSA-N 3 1 225.380 1.141 10 0 BDAEMP CCC[NH+]1CCC([N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000049557921 169186449 /nfs/dbraw/zinc/18/64/49/169186449.db2.gz UJUBVMYUKWOIIE-GFCCVEGCSA-N 3 1 225.380 1.141 10 0 BDAEMP CCCN1CCC([N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000049557921 169186450 /nfs/dbraw/zinc/18/64/50/169186450.db2.gz UJUBVMYUKWOIIE-GFCCVEGCSA-N 2 1 225.380 1.141 10 0 BDAEMP CCCN1CCC([N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000049557921 169186451 /nfs/dbraw/zinc/18/64/51/169186451.db2.gz UJUBVMYUKWOIIE-GFCCVEGCSA-N 2 1 225.380 1.141 10 0 BDAEMP CCC[NH2+]CCCC[N@H+](C)Cc1nccn1C ZINC000062326363 169257078 /nfs/dbraw/zinc/25/70/78/169257078.db2.gz JUNMIVYFPPLTMF-UHFFFAOYSA-N 2 1 238.379 1.632 10 0 BDAEMP CCC[NH2+]CCCC[N@@H+](C)Cc1nccn1C ZINC000062326363 169257079 /nfs/dbraw/zinc/25/70/79/169257079.db2.gz JUNMIVYFPPLTMF-UHFFFAOYSA-N 2 1 238.379 1.632 10 0 BDAEMP CCC[NH2+]CCNCCC[N@H+]1CCCC[C@@H]1C ZINC000049474906 169259091 /nfs/dbraw/zinc/25/90/91/169259091.db2.gz JHPFDLMBUFLDMX-AWEZNQCLSA-N 2 1 241.423 1.840 10 0 BDAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000053875913 169282231 /nfs/dbraw/zinc/28/22/31/169282231.db2.gz FUNVITOQECLYRL-MGPQQGTHSA-N 2 1 240.391 1.611 10 0 BDAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000049711411 169282433 /nfs/dbraw/zinc/28/24/33/169282433.db2.gz OLCYMYXCSWMMLW-GXTWGEPZSA-N 2 1 240.391 1.875 10 0 BDAEMP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@@H+](C)CCO ZINC000053869783 169282684 /nfs/dbraw/zinc/28/26/84/169282684.db2.gz SXHVGSBSQLQDLN-BFHYXJOUSA-N 2 1 242.407 1.715 10 0 BDAEMP CCCO[C@H]1CCC[N@@H+](CCCCC(N)=[NH2+])C1 ZINC000042422689 169312209 /nfs/dbraw/zinc/31/22/09/169312209.db2.gz CXKOQOAMBNHSQC-LBPRGKRZSA-N 2 1 241.379 1.984 10 0 BDAEMP CCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557077 169367232 /nfs/dbraw/zinc/36/72/32/169367232.db2.gz FRGWDHLCPZLAHB-NWDGAFQWSA-N 2 1 243.395 1.221 10 0 BDAEMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455854 169368545 /nfs/dbraw/zinc/36/85/45/169368545.db2.gz XWKKBQCBZGGERF-QJPTWQEYSA-N 2 1 243.395 1.206 10 0 BDAEMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455854 169368546 /nfs/dbraw/zinc/36/85/46/169368546.db2.gz XWKKBQCBZGGERF-QJPTWQEYSA-N 2 1 243.395 1.206 10 0 BDAEMP c1cn2c([nH+]1)C[C@@H](C[NH2+]C1CCCC1)CC2 ZINC000309542209 183475223 /nfs/dbraw/zinc/47/52/23/183475223.db2.gz GOJHRSUSKINPHI-NSHDSACASA-N 2 1 219.332 1.978 10 0 BDAEMP CO[C@@H](C)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000182066265 134341560 /nfs/dbraw/zinc/34/15/60/134341560.db2.gz JMPOHLVHHJBHGT-LBPRGKRZSA-N 2 1 226.364 1.582 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000309274529 383831356 /nfs/dbraw/zinc/83/13/56/383831356.db2.gz SMUMPNXKIDJHST-PNESKVBLSA-N 3 1 227.396 1.575 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000309274529 383831362 /nfs/dbraw/zinc/83/13/62/383831362.db2.gz SMUMPNXKIDJHST-PNESKVBLSA-N 3 1 227.396 1.575 10 0 BDAEMP CCOCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908720 383920978 /nfs/dbraw/zinc/92/09/78/383920978.db2.gz BOMXMNITEGNHQL-TUAOUCFPSA-N 2 1 214.353 1.341 10 0 BDAEMP C[N@@H+](CC(=O)c1ccccn1)CC1CC[NH2+]CC1 ZINC000095071330 384341020 /nfs/dbraw/zinc/34/10/20/384341020.db2.gz UJUFWCCDVYUDML-UHFFFAOYSA-N 2 1 247.342 1.196 10 0 BDAEMP C[N@H+](CC(=O)c1ccccn1)CC1CC[NH2+]CC1 ZINC000095071330 384341028 /nfs/dbraw/zinc/34/10/28/384341028.db2.gz UJUFWCCDVYUDML-UHFFFAOYSA-N 2 1 247.342 1.196 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095075864 384350819 /nfs/dbraw/zinc/35/08/19/384350819.db2.gz AFILRTQJTZQUQW-ZIAGYGMSSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095075864 384350824 /nfs/dbraw/zinc/35/08/24/384350824.db2.gz AFILRTQJTZQUQW-ZIAGYGMSSA-N 2 1 234.343 1.089 10 0 BDAEMP CC[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181124805 384449770 /nfs/dbraw/zinc/44/97/70/384449770.db2.gz MIWZJQIGWQFDEC-CHWSQXEVSA-N 2 1 242.407 1.810 10 0 BDAEMP FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000335662170 384467485 /nfs/dbraw/zinc/46/74/85/384467485.db2.gz ITTWREWQLMOMAF-ZJUUUORDSA-N 2 1 218.291 1.763 10 0 BDAEMP CC[C@@H](COC)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000310022272 384790058 /nfs/dbraw/zinc/79/00/58/384790058.db2.gz NYEYBAFWLINVGF-WDEREUQCSA-N 2 1 223.320 1.213 10 0 BDAEMP CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862540 384807512 /nfs/dbraw/zinc/80/75/12/384807512.db2.gz KABAAKVGNZZPSL-NSHDSACASA-N 2 1 214.353 1.031 10 0 BDAEMP COc1ccccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000258764616 384944630 /nfs/dbraw/zinc/94/46/30/384944630.db2.gz AJGYANNBUQMNPZ-LLVKDONJSA-N 2 1 220.316 1.394 10 0 BDAEMP C[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000062179981 384984618 /nfs/dbraw/zinc/98/46/18/384984618.db2.gz VYCJCYWDYQWLCA-YPMHNXCESA-N 2 1 204.317 1.651 10 0 BDAEMP C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000062179981 384984626 /nfs/dbraw/zinc/98/46/26/384984626.db2.gz VYCJCYWDYQWLCA-YPMHNXCESA-N 2 1 204.317 1.651 10 0 BDAEMP C[NH+](C)[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000176918717 385158974 /nfs/dbraw/zinc/15/89/74/385158974.db2.gz KEMRJSCEHIQQBQ-VIFPVBQESA-N 2 1 225.723 1.875 10 0 BDAEMP CCO[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000306780622 385241452 /nfs/dbraw/zinc/24/14/52/385241452.db2.gz JBNYOYGGGFPKPS-KBPBESRZSA-N 2 1 234.343 1.482 10 0 BDAEMP C[C@H]1C[N@H+]([C@H]2CCSC2)CCC[NH2+]1 ZINC000258090281 385540537 /nfs/dbraw/zinc/54/05/37/385540537.db2.gz KFJLVRPQAFXIBD-UWVGGRQHSA-N 2 1 200.351 1.176 10 0 BDAEMP COC1(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)CCCC1 ZINC000318914366 385522541 /nfs/dbraw/zinc/52/25/41/385522541.db2.gz BZXYENVVHZJDCY-WDEREUQCSA-N 2 1 212.337 1.367 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]12 ZINC000309405456 386008184 /nfs/dbraw/zinc/00/81/84/386008184.db2.gz VWBOUHQPOBLXMQ-FDYHWXHSSA-N 2 1 224.348 1.225 10 0 BDAEMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000336729543 386124571 /nfs/dbraw/zinc/12/45/71/386124571.db2.gz HSTJEERMKIKPGD-AAEUAGOBSA-N 2 1 228.380 1.467 10 0 BDAEMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000336729543 386124578 /nfs/dbraw/zinc/12/45/78/386124578.db2.gz HSTJEERMKIKPGD-AAEUAGOBSA-N 2 1 228.380 1.467 10 0 BDAEMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336666664 386294141 /nfs/dbraw/zinc/29/41/41/386294141.db2.gz LJSRWBHDGWSQKC-VXGBXAGGSA-N 2 1 228.380 1.277 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000335261179 386320474 /nfs/dbraw/zinc/32/04/74/386320474.db2.gz TUCZUWYQMVZGTP-GXFFZTMASA-N 2 1 232.327 1.708 10 0 BDAEMP C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000336721313 386453041 /nfs/dbraw/zinc/45/30/41/386453041.db2.gz XRKZAEXRZSVLCL-CHWSQXEVSA-N 2 1 242.407 1.667 10 0 BDAEMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336721313 386453044 /nfs/dbraw/zinc/45/30/44/386453044.db2.gz XRKZAEXRZSVLCL-CHWSQXEVSA-N 2 1 242.407 1.667 10 0 BDAEMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336721313 386453052 /nfs/dbraw/zinc/45/30/52/386453052.db2.gz XRKZAEXRZSVLCL-CHWSQXEVSA-N 2 1 242.407 1.667 10 0 BDAEMP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336745701 386998636 /nfs/dbraw/zinc/99/86/36/386998636.db2.gz VXAIFECSCHPYJQ-JHJVBQTASA-N 2 1 228.380 1.467 10 0 BDAEMP CC1C[NH+]([C@]2(C[NH3+])CCS[C@H]2C)C1 ZINC000575462954 387042410 /nfs/dbraw/zinc/04/24/10/387042410.db2.gz QMQWYOOWRFRSIG-UWVGGRQHSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1CC[N@@H+]1[C@@]1(C[NH3+])CS[C@H](C)C1 ZINC000575590687 387202929 /nfs/dbraw/zinc/20/29/29/387202929.db2.gz KYWVUOFXVXKBDF-AEJSXWLSSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1CC[N@H+]1[C@@]1(C[NH3+])CS[C@H](C)C1 ZINC000575590687 387202931 /nfs/dbraw/zinc/20/29/31/387202931.db2.gz KYWVUOFXVXKBDF-AEJSXWLSSA-N 2 1 200.351 1.304 10 0 BDAEMP CC(C)=CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300333135 387196121 /nfs/dbraw/zinc/19/61/21/387196121.db2.gz GNXSUPVZLJCDAJ-STQMWFEESA-N 2 1 224.348 1.405 10 0 BDAEMP CC(C)=CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300333135 387196124 /nfs/dbraw/zinc/19/61/24/387196124.db2.gz GNXSUPVZLJCDAJ-STQMWFEESA-N 2 1 224.348 1.405 10 0 BDAEMP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400595660 387199015 /nfs/dbraw/zinc/19/90/15/387199015.db2.gz VMNRLMSGUMZSRQ-STQMWFEESA-N 3 1 225.380 1.060 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000575601543 387360437 /nfs/dbraw/zinc/36/04/37/387360437.db2.gz HKRGHGVKRMLJMQ-AVGNSLFASA-N 2 1 225.380 1.330 10 0 BDAEMP CCN1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000575601543 387360441 /nfs/dbraw/zinc/36/04/41/387360441.db2.gz HKRGHGVKRMLJMQ-AVGNSLFASA-N 2 1 225.380 1.330 10 0 BDAEMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCSCC2)C1 ZINC000575513257 387386153 /nfs/dbraw/zinc/38/61/53/387386153.db2.gz HMCOSQFOOUKMLN-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCSCC2)C1 ZINC000575513257 387386156 /nfs/dbraw/zinc/38/61/56/387386156.db2.gz HMCOSQFOOUKMLN-ZJUUUORDSA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H]1[NH3+] ZINC000035243954 387520326 /nfs/dbraw/zinc/52/03/26/387520326.db2.gz RZVSOYGQEATDPB-STQMWFEESA-N 2 1 204.317 1.998 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H]1[NH3+] ZINC000035243954 387520330 /nfs/dbraw/zinc/52/03/30/387520330.db2.gz RZVSOYGQEATDPB-STQMWFEESA-N 2 1 204.317 1.998 10 0 BDAEMP [NH3+][C@@H]1CCC[C@@H]1C[N@H+]1CCCSCC1 ZINC000053879800 387522369 /nfs/dbraw/zinc/52/23/69/387522369.db2.gz DRUFWMVZHWGVDP-GHMZBOCLSA-N 2 1 214.378 1.553 10 0 BDAEMP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000124045925 387603639 /nfs/dbraw/zinc/60/36/39/387603639.db2.gz IPBXABXIZGPSES-OLZOCXBDSA-N 2 1 236.363 1.264 10 0 BDAEMP CCC[N@H+]1CC[C@@H](CN[C@H]2CCC[NH2+]CC2)C1 ZINC000422970538 387818197 /nfs/dbraw/zinc/81/81/97/387818197.db2.gz GQUNWLWCSYYIGC-KBPBESRZSA-N 2 1 239.407 1.450 10 0 BDAEMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422970538 387818200 /nfs/dbraw/zinc/81/82/00/387818200.db2.gz GQUNWLWCSYYIGC-KBPBESRZSA-N 3 1 239.407 1.450 10 0 BDAEMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422970538 387818204 /nfs/dbraw/zinc/81/82/04/387818204.db2.gz GQUNWLWCSYYIGC-KBPBESRZSA-N 3 1 239.407 1.450 10 0 BDAEMP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)o1 ZINC000168747643 387909332 /nfs/dbraw/zinc/90/93/32/387909332.db2.gz HIOUYTZBFYKXRW-LLVKDONJSA-N 2 1 208.305 1.820 10 0 BDAEMP C(C[NH2+][C@@H]1CC[NH2+]C1)COC1CCCCC1 ZINC000086725635 388107409 /nfs/dbraw/zinc/10/74/09/388107409.db2.gz BYCHADGMHGYOJL-GFCCVEGCSA-N 2 1 226.364 1.677 10 0 BDAEMP CC(C)C[C@@H]([NH3+])CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000086933090 388111105 /nfs/dbraw/zinc/11/11/05/388111105.db2.gz WRAHSUAYUPGDRC-CHWSQXEVSA-N 2 1 225.380 1.140 10 0 BDAEMP [NH3+][C@H]1C[C@@H]([NH2+]CCn2cncn2)c2ccccc21 ZINC000362976775 388562797 /nfs/dbraw/zinc/56/27/97/388562797.db2.gz LSAVYUVTZCILDA-QWHCGFSZSA-N 2 1 243.314 1.013 10 0 BDAEMP Cc1cccnc1N1CC[NH+](C[C@H](C)C[NH3+])CC1 ZINC000051040740 132359788 /nfs/dbraw/zinc/35/97/88/132359788.db2.gz MXRATCOJXVTNMF-GFCCVEGCSA-N 2 1 248.374 1.107 10 0 BDAEMP Cc1ccc[nH+]c1N1CCC(C[NH3+])CC1 ZINC000051041284 132359805 /nfs/dbraw/zinc/35/98/05/132359805.db2.gz BIWCSPGQGNJUEN-UHFFFAOYSA-N 2 1 205.305 1.565 10 0 BDAEMP C[C@H](CCC[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000087362190 135126574 /nfs/dbraw/zinc/12/65/74/135126574.db2.gz MZKQCLYHNBPCML-SECBINFHSA-N 2 1 223.324 1.082 10 0 BDAEMP CC1(C)C[N@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000258786183 135134097 /nfs/dbraw/zinc/13/40/97/135134097.db2.gz MFDBTWKFNYVYKI-GFCCVEGCSA-N 2 1 219.332 1.641 10 0 BDAEMP CC1(C)C[N@@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000258786183 135134098 /nfs/dbraw/zinc/13/40/98/135134098.db2.gz MFDBTWKFNYVYKI-GFCCVEGCSA-N 2 1 219.332 1.641 10 0 BDAEMP Cc1cc[nH+]c(N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000257658239 135138372 /nfs/dbraw/zinc/13/83/72/135138372.db2.gz RKGIVZBVGWTQLW-MNOVXSKESA-N 2 1 205.305 1.929 10 0 BDAEMP CCc1cc(NC[C@H]([NH3+])CC)nc(C)[nH+]1 ZINC000084082149 135182843 /nfs/dbraw/zinc/18/28/43/135182843.db2.gz NEQCMWTUXNBZPV-SECBINFHSA-N 2 1 208.309 1.497 10 0 BDAEMP c1cnn([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000262302317 135291425 /nfs/dbraw/zinc/29/14/25/135291425.db2.gz XSYRPHAYPXMLSJ-CQSZACIVSA-N 2 1 248.374 1.520 10 0 BDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000263115274 135334324 /nfs/dbraw/zinc/33/43/24/135334324.db2.gz AOVCZRIRURLUOB-PWSUYJOCSA-N 2 1 240.734 1.010 10 0 BDAEMP CCc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000382508332 397954699 /nfs/dbraw/zinc/95/46/99/397954699.db2.gz NMCXTBDFUHOGBA-PWSUYJOCSA-N 2 1 234.347 1.887 10 0 BDAEMP Cc1nc(NC[C@H]2CCC[NH2+]2)c(C)c(C)[nH+]1 ZINC000257661609 322872560 /nfs/dbraw/zinc/87/25/60/322872560.db2.gz VBOFFZNTFCIQEC-LLVKDONJSA-N 2 1 220.320 1.566 10 0 BDAEMP C[N@@H+]1CCC[C@H]1CNC(C)(C)C[NH+]1CCCC1 ZINC000308634982 409895579 /nfs/dbraw/zinc/89/55/79/409895579.db2.gz MUPORORSVAOVHH-ZDUSSCGKSA-N 2 1 239.407 1.545 10 0 BDAEMP C[N@H+]1CCC[C@H]1CNC(C)(C)C[NH+]1CCCC1 ZINC000308634982 409895583 /nfs/dbraw/zinc/89/55/83/409895583.db2.gz MUPORORSVAOVHH-ZDUSSCGKSA-N 2 1 239.407 1.545 10 0 BDAEMP CC(C)[N@H+]1CC[C@H](N2CCCC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000063192197 167025744 /nfs/dbraw/zinc/02/57/44/167025744.db2.gz AIMTZIPYGOCSFE-HZSPNIEDSA-N 2 1 239.407 1.671 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CCCN(c2[nH+]ccn2C)C1 ZINC000053701966 167111024 /nfs/dbraw/zinc/11/10/24/167111024.db2.gz ANSDWIZMSGTMPF-LBPRGKRZSA-N 2 1 236.363 1.635 10 0 BDAEMP CC(C)[C@@H](C)[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192220 167380953 /nfs/dbraw/zinc/38/09/53/167380953.db2.gz GZMOYDWEEOTTNJ-ZIAGYGMSSA-N 2 1 241.423 1.504 10 0 BDAEMP CC1CCC(C[N@@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000336759678 168151986 /nfs/dbraw/zinc/15/19/86/168151986.db2.gz LKBBAVMHBDUKMY-MCIGGMRASA-N 2 1 214.353 1.064 10 0 BDAEMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455858 168294428 /nfs/dbraw/zinc/29/44/28/168294428.db2.gz YHZURIFYTSUHDM-WDEREUQCSA-N 2 1 243.395 1.206 10 0 BDAEMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455858 168294429 /nfs/dbraw/zinc/29/44/29/168294429.db2.gz YHZURIFYTSUHDM-WDEREUQCSA-N 2 1 243.395 1.206 10 0 BDAEMP CCc1cc(N2CC[C@H]([NH3+])[C@H](CC)C2)nc(C)[nH+]1 ZINC000122915199 411436925 /nfs/dbraw/zinc/43/69/25/411436925.db2.gz NBJURJFOEAYIIZ-YPMHNXCESA-N 2 1 248.374 1.911 10 0 BDAEMP CCn1cccc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000091025357 170007290 /nfs/dbraw/zinc/00/72/90/170007290.db2.gz FECPUASUFILIFN-ZDUSSCGKSA-N 2 1 235.375 1.939 10 0 BDAEMP CC[NH2+]C(C)(C)C[N@@H+]1CCCSCC1 ZINC000061299768 170107025 /nfs/dbraw/zinc/10/70/25/170107025.db2.gz NMSJOOIBMIOHQW-UHFFFAOYSA-N 2 1 216.394 1.813 10 0 BDAEMP CC[NH2+]C(C)(C)C[N@H+]1CCCSCC1 ZINC000061299768 170107027 /nfs/dbraw/zinc/10/70/27/170107027.db2.gz NMSJOOIBMIOHQW-UHFFFAOYSA-N 2 1 216.394 1.813 10 0 BDAEMP CC[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711758 170110253 /nfs/dbraw/zinc/11/02/53/170110253.db2.gz YOWZVNFSJQQVIW-CYBMUJFWSA-N 2 1 240.391 1.613 10 0 BDAEMP CC[NH2+]CC1CC[NH+](CC(=O)OC(C)C)CC1 ZINC000104412917 170111266 /nfs/dbraw/zinc/11/12/66/170111266.db2.gz XTUKQKCEVWMJNR-UHFFFAOYSA-N 2 1 242.363 1.260 10 0 BDAEMP CC[NH2+]CC1CCN(c2[nH+]ccn2C)CC1 ZINC000053664485 170112142 /nfs/dbraw/zinc/11/21/42/170112142.db2.gz QDANUNOBDAXBIC-UHFFFAOYSA-N 2 1 222.336 1.246 10 0 BDAEMP CC[NH2+]C[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000053695801 170119847 /nfs/dbraw/zinc/11/98/47/170119847.db2.gz OCDUIWNIHXEQPP-ZDUSSCGKSA-N 2 1 248.374 1.919 10 0 BDAEMP CC[NH2+][C@@H]1CCOC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926703 170152922 /nfs/dbraw/zinc/15/29/22/170152922.db2.gz YCQNITPYFOKHGG-NEPJUHHUSA-N 2 1 223.320 1.439 10 0 BDAEMP CC[NH2+][C@H](C)Cc1csc(C[NH+](C)C)n1 ZINC000076793568 170158307 /nfs/dbraw/zinc/15/83/07/170158307.db2.gz FEAJRNOSFNXEGS-SECBINFHSA-N 2 1 227.377 1.745 10 0 BDAEMP CC[NH2+][C@H]1CC[N@H+](CCc2ccncc2)C[C@@H]1C ZINC000049712958 170167478 /nfs/dbraw/zinc/16/74/78/170167478.db2.gz BXRPKCDARVXBJN-ZFWWWQNUSA-N 2 1 247.386 1.944 10 0 BDAEMP CC[NH2+][C@H]1CC[N@@H+](CCc2ccncc2)C[C@@H]1C ZINC000049712958 170167479 /nfs/dbraw/zinc/16/74/79/170167479.db2.gz BXRPKCDARVXBJN-ZFWWWQNUSA-N 2 1 247.386 1.944 10 0 BDAEMP CCOC1CC[NH+]([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000040689311 170332852 /nfs/dbraw/zinc/33/28/52/170332852.db2.gz VHXCRSYSYGZXKK-NEPJUHHUSA-N 2 1 212.337 1.367 10 0 BDAEMP CC[N@H+]1CCCO[C@H](c2ccnc(N)c2)C1 ZINC000616650324 411854646 /nfs/dbraw/zinc/85/46/46/411854646.db2.gz WXSVFRCTQXLVIX-NSHDSACASA-N 2 1 221.304 1.447 10 0 BDAEMP CC[C@@H]1CC[N@@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000104188299 171009169 /nfs/dbraw/zinc/00/91/69/171009169.db2.gz VPAVAFPFCUSBAI-CQSZACIVSA-N 2 1 240.391 1.877 10 0 BDAEMP CC[C@@H]1CC[N@H+](C2CCOCC2)CC[NH2+]1 ZINC000049662058 171009281 /nfs/dbraw/zinc/00/92/81/171009281.db2.gz KHWIEDSKIOEBRX-LLVKDONJSA-N 2 1 212.337 1.239 10 0 BDAEMP CC[C@@H]1CC[N@H+](C[C@@H]2CCCO2)CC[NH2+]1 ZINC000049660737 171010934 /nfs/dbraw/zinc/01/09/34/171010934.db2.gz FQBDDZRZZRTTHH-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)CC[NH2+]1 ZINC000049660737 171010937 /nfs/dbraw/zinc/01/09/37/171010937.db2.gz FQBDDZRZZRTTHH-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@H+]2CCCOCC2)C1 ZINC000061934659 171040707 /nfs/dbraw/zinc/04/07/07/171040707.db2.gz JPONOIHHCWUBKT-HZSPNIEDSA-N 2 1 240.391 1.862 10 0 BDAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCO[C@H](C)C2)C1 ZINC000053862089 171055534 /nfs/dbraw/zinc/05/55/34/171055534.db2.gz ONGITNLTCUEWHQ-MQYQWHSLSA-N 2 1 240.391 1.861 10 0 BDAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2CCO[C@H](C)C2)C1 ZINC000053862089 171055536 /nfs/dbraw/zinc/05/55/36/171055536.db2.gz ONGITNLTCUEWHQ-MQYQWHSLSA-N 2 1 240.391 1.861 10 0 BDAEMP CC[C@@H]1C[N@H+](C2CCC([NH3+])CC2)CCO1 ZINC000055144361 171074610 /nfs/dbraw/zinc/07/46/10/171074610.db2.gz KHQRMGYFKOVQAH-HTAVTVPLSA-N 2 1 212.337 1.367 10 0 BDAEMP CC[C@@H]1CN(Cc2occc2C[NH3+])CC[N@H+]1C ZINC000110753571 171094854 /nfs/dbraw/zinc/09/48/54/171094854.db2.gz JLVLKQDCJJSWOD-GFCCVEGCSA-N 2 1 237.347 1.264 10 0 BDAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C1CCC([NH3+])CC1 ZINC000055144496 171107473 /nfs/dbraw/zinc/10/74/73/171107473.db2.gz CBAQXXIBQGJAJX-GMKTYKIGSA-N 2 1 226.364 1.756 10 0 BDAEMP CC[C@@](C)(C[NH3+])C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000051253774 171167115 /nfs/dbraw/zinc/16/71/15/171167115.db2.gz SYCPXYQZZFSMOF-AAEUAGOBSA-N 2 1 228.380 1.861 10 0 BDAEMP CCn1cc[nH+]c1N1CCC[C@H](C[NH2+]C)C1 ZINC000050614382 172225280 /nfs/dbraw/zinc/22/52/80/172225280.db2.gz QDSNDTRQYIVRKX-LLVKDONJSA-N 2 1 222.336 1.339 10 0 BDAEMP CCn1cc[nH+]c1N1CCCC[C@@H]1C[NH2+]C ZINC000053706780 172226008 /nfs/dbraw/zinc/22/60/08/172226008.db2.gz BNIOCBUWMLXEBV-LLVKDONJSA-N 2 1 222.336 1.481 10 0 BDAEMP CCn1cc[nH+]c1N1CCC([NH2+]C)CC1 ZINC000050607555 172226049 /nfs/dbraw/zinc/22/60/49/172226049.db2.gz FACWZFWHBIZGGU-UHFFFAOYSA-N 2 1 208.309 1.091 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@H]([NH3+])C1 ZINC000041029774 173008694 /nfs/dbraw/zinc/00/86/94/173008694.db2.gz NOKMVHNWEOKARJ-STQMWFEESA-N 2 1 225.380 1.284 10 0 BDAEMP C[N@H+]1CCCN([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037158697 173017126 /nfs/dbraw/zinc/01/71/26/173017126.db2.gz FNHLLPKUZLQOFT-CHWSQXEVSA-N 2 1 225.380 1.141 10 0 BDAEMP CN1CCC[N@@H+]([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037158697 173017129 /nfs/dbraw/zinc/01/71/29/173017129.db2.gz FNHLLPKUZLQOFT-CHWSQXEVSA-N 2 1 225.380 1.141 10 0 BDAEMP CN1CCC[N@H+]([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037158697 173017131 /nfs/dbraw/zinc/01/71/31/173017131.db2.gz FNHLLPKUZLQOFT-CHWSQXEVSA-N 2 1 225.380 1.141 10 0 BDAEMP C[NH+](C[C@H](O)C(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000336721918 173042970 /nfs/dbraw/zinc/04/29/70/173042970.db2.gz XRKZAEXRZSVLCL-STQMWFEESA-N 2 1 242.407 1.667 10 0 BDAEMP C[NH+](C[C@H](O)C(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336721918 173042972 /nfs/dbraw/zinc/04/29/72/173042972.db2.gz XRKZAEXRZSVLCL-STQMWFEESA-N 2 1 242.407 1.667 10 0 BDAEMP CN(c1cc[nH+]cc1N)[C@H]1CCC[N@@H+](C)C1 ZINC000053205894 173044256 /nfs/dbraw/zinc/04/42/56/173044256.db2.gz FRSKBSYCXSPGJU-JTQLQIEISA-N 2 1 220.320 1.194 10 0 BDAEMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCC1 ZINC000249859530 173053696 /nfs/dbraw/zinc/05/36/96/173053696.db2.gz FIDOQGPCDVNILQ-NSHDSACASA-N 2 1 224.352 1.137 10 0 BDAEMP C[NH+]1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952270 173079202 /nfs/dbraw/zinc/07/92/02/173079202.db2.gz ZTQOLNRMVFYCCG-ZDUSSCGKSA-N 2 1 225.380 1.156 10 0 BDAEMP CN(C[C@H](O)c1ccccc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190238 173111904 /nfs/dbraw/zinc/11/19/04/173111904.db2.gz GSMUOOFCEJQIFU-HIFRSBDPSA-N 2 1 248.370 1.604 10 0 BDAEMP C[NH+](C[C@H](O)c1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190238 173111910 /nfs/dbraw/zinc/11/19/10/173111910.db2.gz GSMUOOFCEJQIFU-HIFRSBDPSA-N 2 1 248.370 1.604 10 0 BDAEMP C[NH+](C[C@H](O)c1ccccc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190238 173111912 /nfs/dbraw/zinc/11/19/12/173111912.db2.gz GSMUOOFCEJQIFU-HIFRSBDPSA-N 2 1 248.370 1.604 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484743 173115443 /nfs/dbraw/zinc/11/54/43/173115443.db2.gz ZNNMCNXXAYLCIN-ZDUSSCGKSA-N 2 1 204.317 1.728 10 0 BDAEMP C[N@H+](C[C@@H](O)c1ccccc1)C[C@H]1CC[NH+](C)C1 ZINC000250586637 173142458 /nfs/dbraw/zinc/14/24/58/173142458.db2.gz GSMUOOFCEJQIFU-DZGCQCFKSA-N 2 1 248.370 1.604 10 0 BDAEMP C[N@@H+](C[C@@H](O)c1ccccc1)C[C@H]1CC[NH+](C)C1 ZINC000250586637 173142460 /nfs/dbraw/zinc/14/24/60/173142460.db2.gz GSMUOOFCEJQIFU-DZGCQCFKSA-N 2 1 248.370 1.604 10 0 BDAEMP C[NH+](C[C@@H](O)c1ccccc1)C[C@H]1CC[N@H+](C)C1 ZINC000250586637 173142462 /nfs/dbraw/zinc/14/24/62/173142462.db2.gz GSMUOOFCEJQIFU-DZGCQCFKSA-N 2 1 248.370 1.604 10 0 BDAEMP C[NH+](C[C@@H](O)c1ccccc1)C[C@H]1CC[N@@H+](C)C1 ZINC000250586637 173142463 /nfs/dbraw/zinc/14/24/63/173142463.db2.gz GSMUOOFCEJQIFU-DZGCQCFKSA-N 2 1 248.370 1.604 10 0 BDAEMP C[N@H+]1CC[C@H](CNc2cc(N)cc[nH+]2)C1 ZINC000043569010 173147042 /nfs/dbraw/zinc/14/70/42/173147042.db2.gz QZTZCEHRRPPECC-SECBINFHSA-N 2 1 206.293 1.027 10 0 BDAEMP C[N@H+]1CCc2nc(CCCC[NH3+])sc2C1 ZINC000083354232 173173813 /nfs/dbraw/zinc/17/38/13/173173813.db2.gz KWQPWHZNHNKFAL-UHFFFAOYSA-N 2 1 225.361 1.412 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@@H+](C)CC(C)(C)C)CCCOC1 ZINC000104307432 173373600 /nfs/dbraw/zinc/37/36/00/173373600.db2.gz ZFEIPIZVYMPLPC-CQSZACIVSA-N 2 1 242.407 1.981 10 0 BDAEMP C[NH2+]C[C@H]1CCN(C[C@@H]2CCCC[N@H+]2C)C1 ZINC000053033688 173381570 /nfs/dbraw/zinc/38/15/70/173381570.db2.gz AIZLYFDYTIEKRA-OLZOCXBDSA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH2+]Cc1cc(C[NH+]2CCSCC2)c(C)o1 ZINC000052443300 173386880 /nfs/dbraw/zinc/38/68/80/173386880.db2.gz FXXUSVDXLFIAFE-UHFFFAOYSA-N 2 1 240.372 1.856 10 0 BDAEMP C[NH2+]Cc1ccoc1Cn1c[nH+]c(C)c1C ZINC000052593455 173391433 /nfs/dbraw/zinc/39/14/33/173391433.db2.gz PAPUSUITDUNKGT-UHFFFAOYSA-N 2 1 219.288 1.861 10 0 BDAEMP COCCN(CCC(N)=[NH2+])c1cc(C)cc[nH+]1 ZINC000071229490 174290094 /nfs/dbraw/zinc/29/00/94/174290094.db2.gz VFAMDYRWZYXUAV-UHFFFAOYSA-N 2 1 236.319 1.169 10 0 BDAEMP COCC[N@@H+](C[C@](C)([NH3+])C1CC1)[C@H](C)C1CC1 ZINC000042689299 174297432 /nfs/dbraw/zinc/29/74/32/174297432.db2.gz AYBXCOXNVAADKH-RISCZKNCSA-N 2 1 240.391 1.861 10 0 BDAEMP C[C@@H](c1ccccn1)[NH+]1CCC[NH2+]CCC1 ZINC000049666689 176027932 /nfs/dbraw/zinc/02/79/32/176027932.db2.gz OBMHLXKZEVPQQO-LBPRGKRZSA-N 2 1 219.332 1.828 10 0 BDAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)C[NH2+]C1CC1 ZINC000042607060 176079355 /nfs/dbraw/zinc/07/93/55/176079355.db2.gz WXKYIJOAWFAZSD-BNOWGMLFSA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H](O)[C@@H]1[NH3+] ZINC000035566982 176175354 /nfs/dbraw/zinc/17/53/54/176175354.db2.gz AKYCYJKHFYEHSO-KWCYVHTRSA-N 2 1 234.343 1.217 10 0 BDAEMP C[C@@H]1CC[N@H+](Cc2cccnc2)CCC[NH2+]1 ZINC000049666570 176176586 /nfs/dbraw/zinc/17/65/86/176176586.db2.gz SDXIMGHAESRUQW-GFCCVEGCSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@@H]1CC[N@@H+](Cc2cccnc2)CCC[NH2+]1 ZINC000049666570 176176587 /nfs/dbraw/zinc/17/65/87/176176587.db2.gz SDXIMGHAESRUQW-GFCCVEGCSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]2)CC(C)(C)O1 ZINC000041681558 176292578 /nfs/dbraw/zinc/29/25/78/176292578.db2.gz IDJDQMFYMCLPGZ-NEPJUHHUSA-N 2 1 226.364 1.628 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]2)CC(C)(C)O1 ZINC000041681558 176292579 /nfs/dbraw/zinc/29/25/79/176292579.db2.gz IDJDQMFYMCLPGZ-NEPJUHHUSA-N 2 1 226.364 1.628 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@H+](Cc2cccnc2)C1 ZINC000049666587 176324209 /nfs/dbraw/zinc/32/42/09/176324209.db2.gz FPXDTUXBDKSMAJ-GFCCVEGCSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](Cc2cccnc2)C1 ZINC000049666587 176324211 /nfs/dbraw/zinc/32/42/11/176324211.db2.gz FPXDTUXBDKSMAJ-GFCCVEGCSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@@H]1C[NH2+]CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000042824596 176325656 /nfs/dbraw/zinc/32/56/56/176325656.db2.gz GNEQPYGGWARESY-NEPJUHHUSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@@H]1C[NH2+]CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000042824596 176325658 /nfs/dbraw/zinc/32/56/58/176325658.db2.gz GNEQPYGGWARESY-NEPJUHHUSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccccc2)C1 ZINC000068593214 176371713 /nfs/dbraw/zinc/37/17/13/176371713.db2.gz ZIGFEJOVAYQSSS-DGCLKSJQSA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccccc2)C1 ZINC000068593214 176371714 /nfs/dbraw/zinc/37/17/14/176371714.db2.gz ZIGFEJOVAYQSSS-DGCLKSJQSA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC(C)(C)C1 ZINC000304502848 176376793 /nfs/dbraw/zinc/37/67/93/176376793.db2.gz GOBPLNCMYZWZTJ-JHJVBQTASA-N 2 1 242.407 1.713 10 0 BDAEMP C[C@H]([NH3+])c1ccc(C[NH+]2CCOCC2)cc1 ZINC000058019904 176775510 /nfs/dbraw/zinc/77/55/10/176775510.db2.gz BAHLGTSCZJNBCD-NSHDSACASA-N 2 1 220.316 1.539 10 0 BDAEMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CCC[NH+](C)C ZINC000122453371 177001024 /nfs/dbraw/zinc/00/10/24/177001024.db2.gz IKUFSPKLNDJGRE-UONOGXRCSA-N 2 1 242.407 1.954 10 0 BDAEMP C[C@H]1CCCC[N@H+]1CC1(C[NH3+])CCOCC1 ZINC000052180712 177075748 /nfs/dbraw/zinc/07/57/48/177075748.db2.gz AYXJZSMGYRFNSL-LBPRGKRZSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@H]1CCCC[N@H+]1Cc1cccnc1C[NH3+] ZINC000061656412 177077179 /nfs/dbraw/zinc/07/71/79/177077179.db2.gz FDOGCIBGKMIUKL-NSHDSACASA-N 2 1 219.332 1.915 10 0 BDAEMP C[C@H]1CCC[N@@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052180813 177095914 /nfs/dbraw/zinc/09/59/14/177095914.db2.gz RVCRBVMDMHDAMF-LBPRGKRZSA-N 2 1 226.364 1.474 10 0 BDAEMP C[C@H]1CCC[N@@H+](Cc2occc2C[NH3+])C1 ZINC000052381306 177103633 /nfs/dbraw/zinc/10/36/33/177103633.db2.gz AIGDRZOILPDMCD-JTQLQIEISA-N 2 1 208.305 1.970 10 0 BDAEMP C[C@H]1CCC[C@](CO)([N@H+]2CCC[NH2+]CC2)C1 ZINC000038117168 177143704 /nfs/dbraw/zinc/14/37/04/177143704.db2.gz NDPXRTUBVKDYQV-STQMWFEESA-N 2 1 226.364 1.223 10 0 BDAEMP C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC[NH2+]1 ZINC000044510693 177159941 /nfs/dbraw/zinc/15/99/41/177159941.db2.gz AJNAVPBSCUMQPT-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@H]1CC[N@H+](CCc2ccco2)CC[NH2+]1 ZINC000049662441 177162523 /nfs/dbraw/zinc/16/25/23/177162523.db2.gz BIZPSOOGBZZQPS-NSHDSACASA-N 2 1 208.305 1.506 10 0 BDAEMP C[C@H]1CC[N@@H+](CCc2ccco2)CC[NH2+]1 ZINC000049662441 177162524 /nfs/dbraw/zinc/16/25/24/177162524.db2.gz BIZPSOOGBZZQPS-NSHDSACASA-N 2 1 208.305 1.506 10 0 BDAEMP C[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)CC[C@H](C)[NH2+]1 ZINC000049667037 177169527 /nfs/dbraw/zinc/16/95/27/177169527.db2.gz SDKZHYDVHCKDRP-HZSPNIEDSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2)CC[C@H](C)[NH2+]1 ZINC000049667037 177169528 /nfs/dbraw/zinc/16/95/28/177169528.db2.gz SDKZHYDVHCKDRP-HZSPNIEDSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2)CC[C@H](C)[NH2+]1 ZINC000049667037 177169530 /nfs/dbraw/zinc/16/95/30/177169530.db2.gz SDKZHYDVHCKDRP-HZSPNIEDSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@@H](CC[NH+](C)C)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049667807 177170056 /nfs/dbraw/zinc/17/00/56/177170056.db2.gz YZAKTBKIAWZNPV-MJBXVCDLSA-N 3 1 241.423 1.789 10 0 BDAEMP C[C@@H](CC[NH+](C)C)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049667807 177170057 /nfs/dbraw/zinc/17/00/57/177170057.db2.gz YZAKTBKIAWZNPV-MJBXVCDLSA-N 3 1 241.423 1.789 10 0 BDAEMP C[C@@H]1CO[C@@H](C)C[N@H+]1CC1CCC([NH3+])CC1 ZINC000037482478 177245422 /nfs/dbraw/zinc/24/54/22/177245422.db2.gz YPKBZHMSRLYMHL-IALDZJHCSA-N 2 1 226.364 1.613 10 0 BDAEMP C[C@H]1C[N@@H+](CC[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000061934328 177254103 /nfs/dbraw/zinc/25/41/03/177254103.db2.gz AVYUOTBBXBUUMB-RYUDHWBXSA-N 2 1 228.380 1.861 10 0 BDAEMP C[C@H]1C[NH+](Cc2ccccc2C(N)=[NH2+])C[C@H](C)O1 ZINC000034754844 177266691 /nfs/dbraw/zinc/26/66/91/177266691.db2.gz OBQASJWFZHQQKM-QWRGUYRKSA-N 2 1 247.342 1.580 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](Cc2cccnc2)C1 ZINC000049666591 177285580 /nfs/dbraw/zinc/28/55/80/177285580.db2.gz ADSFYHLVMSCPJI-BETUJISGSA-N 2 1 233.359 1.759 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](CCc2ccccn2)C1 ZINC000049666559 177285778 /nfs/dbraw/zinc/28/57/78/177285778.db2.gz OOSLKUOTXNVDSL-OKILXGFUSA-N 2 1 247.386 1.802 10 0 BDAEMP C[C@@H]1C[C@H](C)C[N@H+](CC2(O)CC[NH2+]CC2)C1 ZINC000051015868 177313504 /nfs/dbraw/zinc/31/35/04/177313504.db2.gz LISVJODUYHATMV-TXEJJXNPSA-N 2 1 226.364 1.079 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccccc2)C1 ZINC000068593210 177365597 /nfs/dbraw/zinc/36/55/97/177365597.db2.gz ZIGFEJOVAYQSSS-AAEUAGOBSA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccccc2)C1 ZINC000068593210 177365599 /nfs/dbraw/zinc/36/55/99/177365599.db2.gz ZIGFEJOVAYQSSS-AAEUAGOBSA-N 2 1 204.317 1.856 10 0 BDAEMP CC[C@@H]1CN(c2cc(C)cc[nH+]2)CC[C@H]1[NH3+] ZINC000251913307 487806920 /nfs/dbraw/zinc/80/69/20/487806920.db2.gz XVWWOVJPHFZZJC-VXGBXAGGSA-N 2 1 219.332 1.954 10 0 BDAEMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000669848859 487883593 /nfs/dbraw/zinc/88/35/93/487883593.db2.gz WPRZYHRGDLGTSQ-IACUBPJLSA-N 2 1 238.375 1.221 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562958469 323035239 /nfs/dbraw/zinc/03/52/39/323035239.db2.gz JUTDDTHQMVHTPY-BFHYXJOUSA-N 2 1 239.407 1.448 10 0 BDAEMP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562958469 323035240 /nfs/dbraw/zinc/03/52/40/323035240.db2.gz JUTDDTHQMVHTPY-BFHYXJOUSA-N 2 1 239.407 1.448 10 0 BDAEMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000315038523 323216865 /nfs/dbraw/zinc/21/68/65/323216865.db2.gz HVOIMSBPUKZNBI-GFCCVEGCSA-N 2 1 237.347 1.057 10 0 BDAEMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CCO)C1 ZINC000315038523 323216866 /nfs/dbraw/zinc/21/68/66/323216866.db2.gz HVOIMSBPUKZNBI-GFCCVEGCSA-N 2 1 237.347 1.057 10 0 BDAEMP CC(C)[N@@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567642381 326237373 /nfs/dbraw/zinc/23/73/73/326237373.db2.gz ROZRBJGAZYUOED-CHWSQXEVSA-N 2 1 227.396 1.304 10 0 BDAEMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000161973047 487530215 /nfs/dbraw/zinc/53/02/15/487530215.db2.gz DLHBNUIUTAHSDB-QWHCGFSZSA-N 2 1 246.354 1.976 10 0 BDAEMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000161973047 487530220 /nfs/dbraw/zinc/53/02/20/487530220.db2.gz DLHBNUIUTAHSDB-QWHCGFSZSA-N 2 1 246.354 1.976 10 0 BDAEMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CCC(C)CC2)CCO1 ZINC000227719776 487493954 /nfs/dbraw/zinc/49/39/54/487493954.db2.gz NOYHKIKFNFSKHF-GNRIBBGQSA-N 2 1 240.391 1.861 10 0 BDAEMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CCC(C)CC2)CCO1 ZINC000227719776 487493958 /nfs/dbraw/zinc/49/39/58/487493958.db2.gz NOYHKIKFNFSKHF-GNRIBBGQSA-N 2 1 240.391 1.861 10 0 BDAEMP C(C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127996890 490567559 /nfs/dbraw/zinc/56/75/59/490567559.db2.gz XSNCLKOMIIAARE-MJBXVCDLSA-N 2 1 238.375 1.772 10 0 BDAEMP COC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757132853 582508247 /nfs/dbraw/zinc/50/82/47/582508247.db2.gz SAJSDWULDDOACN-AVGNSLFASA-N 2 1 226.364 1.628 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000400518585 533988833 /nfs/dbraw/zinc/98/88/33/533988833.db2.gz NSQILCKCWNLCNX-REWJHTLYSA-N 2 1 237.391 1.201 10 0 BDAEMP CCc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)cc1 ZINC000253606539 523930524 /nfs/dbraw/zinc/93/05/24/523930524.db2.gz POACMADOUNDKOW-QKDCVEJESA-N 2 1 230.355 1.886 10 0 BDAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400383875 528112860 /nfs/dbraw/zinc/11/28/60/528112860.db2.gz LGKQJQKLRRWBEC-CHWSQXEVSA-N 3 1 227.396 1.306 10 0 BDAEMP CN(C)[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000675053762 566415507 /nfs/dbraw/zinc/41/55/07/566415507.db2.gz LFBDSFCTAHHWMR-MGPQQGTHSA-N 2 1 239.407 1.530 10 0 BDAEMP COC[C@H](C)C[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757128263 582503185 /nfs/dbraw/zinc/50/31/85/582503185.db2.gz JWMQKBGFOKQSFE-MGPQQGTHSA-N 2 1 240.391 1.875 10 0 BDAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757142495 582522821 /nfs/dbraw/zinc/52/28/21/582522821.db2.gz LFQZTSFZOQCFPT-ONGXEEELSA-N 2 1 234.290 1.442 10 0 BDAEMP CC1(C)CC[NH2+]C2(C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000757152821 582537231 /nfs/dbraw/zinc/53/72/31/582537231.db2.gz UYELFEBAFUDQHE-DHHPTOIESA-N 2 1 210.321 1.386 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]C[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757217812 582562016 /nfs/dbraw/zinc/56/20/16/582562016.db2.gz SNRCLOWWJLILMO-QWRGUYRKSA-N 2 1 215.300 1.572 10 0 BDAEMP CC(=O)c1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])c1 ZINC000757218014 582562529 /nfs/dbraw/zinc/56/25/29/582562529.db2.gz UQFLDSUPUKGWLX-STQMWFEESA-N 2 1 218.300 1.293 10 0 BDAEMP C[C@@H]1C[C@@H](c2cccc(N)c2)[NH2+]C[C@@H]1[NH3+] ZINC000757219596 582563412 /nfs/dbraw/zinc/56/34/12/582563412.db2.gz YZGQIVIUTCPPDS-ZHAHWJHGSA-N 2 1 205.305 1.267 10 0 BDAEMP COCC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757133728 586427126 /nfs/dbraw/zinc/42/71/26/586427126.db2.gz UBXGLMPGVVJKSP-CHWSQXEVSA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@@H]1CC[NH2+][C@@H](c2ccc(C=O)s2)[C@H]1N ZINC000757207214 586437227 /nfs/dbraw/zinc/43/72/27/586437227.db2.gz BHDRYEKVERJLIK-GGVZMXCHSA-N 2 1 224.329 1.558 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1ccc(C[NH3+])cc1 ZINC000757217279 586441701 /nfs/dbraw/zinc/44/17/01/586441701.db2.gz RUXMKWVVDLFNNQ-JIMOISOXSA-N 3 1 219.332 1.143 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1C[C@H](C)[C@@H]([NH3+])C[NH2+]1 ZINC000757228308 586442611 /nfs/dbraw/zinc/44/26/11/586442611.db2.gz CFPSWWQBWURNFQ-XDTLVQLUSA-N 2 1 219.332 1.575 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1CC[C@H]([NH3+])C[NH2+]1 ZINC000757236245 586443680 /nfs/dbraw/zinc/44/36/80/586443680.db2.gz NSAOPYPCUNZMRL-JQWIXIFHSA-N 2 1 205.305 1.329 10 0 BDAEMP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000300391136 592510275 /nfs/dbraw/zinc/51/02/75/592510275.db2.gz SMLZIDRUEGTVFJ-LPEHRKFASA-N 2 1 200.351 1.222 10 0 BDAEMP CCc1cc(N2CC[C@H](CC[NH3+])C2)nc(C)[nH+]1 ZINC000125506825 634524191 /nfs/dbraw/zinc/52/41/91/634524191.db2.gz VVFIEFWBFHFZBP-NSHDSACASA-N 2 1 234.347 1.523 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000396831673 634096769 /nfs/dbraw/zinc/09/67/69/634096769.db2.gz UKXSRKLWZMOXFU-VHSXEESVSA-N 2 1 230.233 1.720 10 0 BDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCCCC[NH3+] ZINC000094462177 635354037 /nfs/dbraw/zinc/35/40/37/635354037.db2.gz HKRCMNHIVNFQBK-UONOGXRCSA-N 2 1 239.407 1.674 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000223933451 640592532 /nfs/dbraw/zinc/59/25/32/640592532.db2.gz JYPTUFOBVKVQHA-ZOBORPQBSA-N 2 1 238.375 1.485 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000223933451 640592540 /nfs/dbraw/zinc/59/25/40/640592540.db2.gz JYPTUFOBVKVQHA-ZOBORPQBSA-N 2 1 238.375 1.485 10 0 BDAEMP C[N@H+](C/C=C/Cl)[C@H]1CCC[NH2+]CC1 ZINC000226467790 640767532 /nfs/dbraw/zinc/76/75/32/640767532.db2.gz BMVWICPTLJBTKP-YVGDHZEHSA-N 2 1 202.729 1.813 10 0 BDAEMP C[N@@H+](C/C=C/Cl)[C@H]1CCC[NH2+]CC1 ZINC000226467790 640767535 /nfs/dbraw/zinc/76/75/35/640767535.db2.gz BMVWICPTLJBTKP-YVGDHZEHSA-N 2 1 202.729 1.813 10 0 BDAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@H]21 ZINC000228533557 640878859 /nfs/dbraw/zinc/87/88/59/640878859.db2.gz JSCQWLZBEPHUGC-YVECIDJPSA-N 2 1 224.348 1.225 10 0 BDAEMP [NH3+]CCCCCC[N@H+]1CCn2ccnc2C1 ZINC000062321494 641036166 /nfs/dbraw/zinc/03/61/66/641036166.db2.gz KBUGCUUEKKBLQD-UHFFFAOYSA-N 2 1 222.336 1.218 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCCO1 ZINC000251645798 642882865 /nfs/dbraw/zinc/88/28/65/642882865.db2.gz SKQHSJQDLMYKCU-TUAOUCFPSA-N 2 1 212.337 1.367 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000251645798 642882868 /nfs/dbraw/zinc/88/28/68/642882868.db2.gz SKQHSJQDLMYKCU-TUAOUCFPSA-N 2 1 212.337 1.367 10 0 BDAEMP C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666811 643363168 /nfs/dbraw/zinc/36/31/68/643363168.db2.gz IRFPNBAPLVTDPV-VXGBXAGGSA-N 2 1 212.337 1.239 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(N)n1 ZINC000093232609 644682572 /nfs/dbraw/zinc/68/25/72/644682572.db2.gz LQNRJKFHYXREFQ-LLVKDONJSA-N 2 1 249.362 1.288 10 0 BDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC[NH2+]C1CC1 ZINC000094459212 644719096 /nfs/dbraw/zinc/71/90/96/644719096.db2.gz CKMAEGOCMOTJNZ-TZMCWYRMSA-N 2 1 237.391 1.297 10 0 BDAEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCCO1)C2 ZINC000702629314 712057167 /nfs/dbraw/zinc/05/71/67/712057167.db2.gz BXLZIXWYPHKKKA-UPJWGTAASA-N 2 1 224.348 1.097 10 0 BDAEMP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000723877187 711541989 /nfs/dbraw/zinc/54/19/89/711541989.db2.gz RMDOICGWCPNBNO-QEJZJMRPSA-N 2 1 245.370 1.868 10 0 BDAEMP CCc1cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)nc(C)[nH+]1 ZINC000723915976 711544948 /nfs/dbraw/zinc/54/49/48/711544948.db2.gz PDKBXURBPKLPGO-ZYHUDNBSSA-N 2 1 248.374 1.769 10 0 BDAEMP OCc1c[nH+]ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000126538761 711768709 /nfs/dbraw/zinc/76/87/09/711768709.db2.gz JUBZYDHQTAOJEA-CYBMUJFWSA-N 2 1 247.342 1.248 10 0 BDAEMP COCC1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000713930065 712473849 /nfs/dbraw/zinc/47/38/49/712473849.db2.gz ZIWZTEFOFROODK-GMKTYKIGSA-N 2 1 226.364 1.484 10 0 BDAEMP COCC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000713930065 712473851 /nfs/dbraw/zinc/47/38/51/712473851.db2.gz ZIWZTEFOFROODK-GMKTYKIGSA-N 2 1 226.364 1.484 10 0 BDAEMP CCC1([NH3+])CC[NH+](C2CCN(C)CC2)CC1 ZINC000714756052 712498003 /nfs/dbraw/zinc/49/80/03/712498003.db2.gz DZOCMKWHLGFHTC-UHFFFAOYSA-N 2 1 225.380 1.284 10 0 BDAEMP C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C[NH3+] ZINC000714799520 712498332 /nfs/dbraw/zinc/49/83/32/712498332.db2.gz JVZNOJXVMRMKLX-GHYVTOPFSA-N 2 1 222.376 1.949 10 0 BDAEMP [NH3+][C@H]1C[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000715140571 712511234 /nfs/dbraw/zinc/51/12/34/712511234.db2.gz GTQBFJLLOGDCMW-ZKCHVHJHSA-N 2 1 217.276 1.107 10 0 BDAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@]12CCCOCC2 ZINC000685955290 538900419 /nfs/dbraw/zinc/90/04/19/538900419.db2.gz XHRPUWRPVSOMIY-VXGBXAGGSA-N 2 1 212.337 1.369 10 0 BDAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955131 538900943 /nfs/dbraw/zinc/90/09/43/538900943.db2.gz UFHMYLPCBFVKRD-XQHKEYJVSA-N 2 1 226.364 1.754 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000685965373 538911796 /nfs/dbraw/zinc/91/17/96/538911796.db2.gz BSCQCVYLXBUAJA-RDDDGLTNSA-N 2 1 230.233 1.508 10 0 BDAEMP Cc1cc(F)ccc1[C@@H]1C[NH2+]C[C@]1(C)[NH3+] ZINC000685965378 538911956 /nfs/dbraw/zinc/91/19/56/538911956.db2.gz BTSFVHGSEUQMQC-RYUDHWBXSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])c(F)c1 ZINC000685965809 538912062 /nfs/dbraw/zinc/91/20/62/538912062.db2.gz UHQDNIUUROVBIT-ZYHUDNBSSA-N 2 1 208.280 1.538 10 0 BDAEMP Cc1cc(F)c([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1F ZINC000685965392 538912109 /nfs/dbraw/zinc/91/21/09/538912109.db2.gz CEXXPLQZQWJIBG-SKDRFNHKSA-N 2 1 226.270 1.677 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000685965813 538912170 /nfs/dbraw/zinc/91/21/70/538912170.db2.gz UMTPMPALSYUOGK-MWLCHTKSSA-N 2 1 210.708 1.744 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685965821 538912186 /nfs/dbraw/zinc/91/21/86/538912186.db2.gz UTEJZFGBFHCLAU-VXGBXAGGSA-N 2 1 206.289 1.099 10 0 BDAEMP Cc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1F ZINC000685965613 538912284 /nfs/dbraw/zinc/91/22/84/538912284.db2.gz LDSDHCCYXMJDEA-CMPLNLGQSA-N 2 1 208.280 1.538 10 0 BDAEMP CCc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685965629 538912309 /nfs/dbraw/zinc/91/23/09/538912309.db2.gz LZRLBOCEMINQDE-CHWSQXEVSA-N 2 1 204.317 1.653 10 0 BDAEMP Cc1ccc(C)c([C@H]2C[NH2+]C[C@]2(C)[NH3+])c1 ZINC000685965675 538912630 /nfs/dbraw/zinc/91/26/30/538912630.db2.gz OINPOFKNJKKFPT-OLZOCXBDSA-N 2 1 204.317 1.708 10 0 BDAEMP CCC(CC)(C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000042392242 168323045 /nfs/dbraw/zinc/32/30/45/168323045.db2.gz YFDMPSCGRQZKDP-UHFFFAOYSA-N 2 1 241.423 1.778 10 0 BDAEMP CCC(CC)(C[NH2+]C1CC1)C[N@@H+](C)C[C@H](C)O ZINC000051840495 168326054 /nfs/dbraw/zinc/32/60/54/168326054.db2.gz BXFXIZHZRRPGMD-LBPRGKRZSA-N 2 1 242.407 1.857 10 0 BDAEMP CCc1nc(N2CC[C@@H]([NH3+])[C@H](CC)C2)cc(C)[nH+]1 ZINC000385458409 398164685 /nfs/dbraw/zinc/16/46/85/398164685.db2.gz SUESKIOCODAWHY-VXGBXAGGSA-N 2 1 248.374 1.911 10 0 BDAEMP Cc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)cc[nH+]1 ZINC000302221497 178170441 /nfs/dbraw/zinc/17/04/41/178170441.db2.gz NYJUDJIYFNRRGE-AWEZNQCLSA-N 2 1 247.342 1.665 10 0 BDAEMP Cc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)cc[nH+]1 ZINC000302221497 178170442 /nfs/dbraw/zinc/17/04/42/178170442.db2.gz NYJUDJIYFNRRGE-AWEZNQCLSA-N 2 1 247.342 1.665 10 0 BDAEMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000400507102 398241254 /nfs/dbraw/zinc/24/12/54/398241254.db2.gz DPVFFJWEYWTLIX-GHMZBOCLSA-N 2 1 208.305 1.676 10 0 BDAEMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)O1 ZINC000381387441 398255172 /nfs/dbraw/zinc/25/51/72/398255172.db2.gz MNKXNYHXZRVWTF-MLGHIDQZSA-N 2 1 224.348 1.223 10 0 BDAEMP CC[N@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)c2)C1 ZINC000381318020 538998162 /nfs/dbraw/zinc/99/81/62/538998162.db2.gz NUAMATFJSQPEQE-ZWNOBZJWSA-N 2 1 219.332 1.564 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386017503 342901893 /nfs/dbraw/zinc/90/18/93/342901893.db2.gz NXMMKXIXEMSACB-RDBSUJKOSA-N 2 1 239.407 1.591 10 0 BDAEMP C[NH+]1CCC([NH3+])(CC(=O)OC(C)(C)C)CC1 ZINC000258967517 136373994 /nfs/dbraw/zinc/37/39/94/136373994.db2.gz UIMYICVUEOTVQM-UHFFFAOYSA-N 2 1 228.336 1.141 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[Si](C)(C)C ZINC000401837781 343736521 /nfs/dbraw/zinc/73/65/21/343736521.db2.gz FSRRWKNZONWOPL-NXEZZACHSA-N 2 1 200.402 1.675 10 0 BDAEMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000584183449 343770902 /nfs/dbraw/zinc/77/09/02/343770902.db2.gz IULZUXAHRJQFKI-BFHYXJOUSA-N 2 1 240.391 1.611 10 0 BDAEMP CC(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC000220990603 343793057 /nfs/dbraw/zinc/79/30/57/343793057.db2.gz BKZHCYURBXZCMY-STQMWFEESA-N 2 1 204.317 1.824 10 0 BDAEMP COC[C@@H]1C[N@H+](CC[NH3+])CC12CCCC2 ZINC000409432697 343827637 /nfs/dbraw/zinc/82/76/37/343827637.db2.gz LQWMOVAYDAUPTM-NSHDSACASA-N 2 1 212.337 1.084 10 0 BDAEMP COC[C@@H]1C[N@@H+](CC[NH3+])CC12CCCC2 ZINC000409432697 343827640 /nfs/dbraw/zinc/82/76/40/343827640.db2.gz LQWMOVAYDAUPTM-NSHDSACASA-N 2 1 212.337 1.084 10 0 BDAEMP OC[C@]12C[N@H+](C3CC[NH2+]CC3)C[C@H]1CCCC2 ZINC000409435593 343834386 /nfs/dbraw/zinc/83/43/86/343834386.db2.gz VOUUQZXGPPCBRE-OCCSQVGLSA-N 2 1 238.375 1.223 10 0 BDAEMP COC[C@@]12CCC[C@H]1C[N@@H+](CCC[NH3+])C2 ZINC000409436263 343838140 /nfs/dbraw/zinc/83/81/40/343838140.db2.gz YXFZTBPJGIGWEJ-RYUDHWBXSA-N 2 1 212.337 1.084 10 0 BDAEMP O[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C[C@H]1CC1CC1 ZINC000409435754 343839841 /nfs/dbraw/zinc/83/98/41/343839841.db2.gz WJVHUMGURGNWTL-TZMCWYRMSA-N 2 1 238.375 1.221 10 0 BDAEMP C[C@@H]1C[C@H](N)C[N@@H+](C[Si](C)(C)C)C1 ZINC000401868968 343917234 /nfs/dbraw/zinc/91/72/34/343917234.db2.gz VBSWPIJILSGIHJ-ZJUUUORDSA-N 2 1 200.402 1.533 10 0 BDAEMP CCc1nc(N2C[C@@H]([NH3+])C[C@H]2C)cc(C)[nH+]1 ZINC000384989269 344286312 /nfs/dbraw/zinc/28/63/12/344286312.db2.gz LVVVOSHHQHOYJV-ZJUUUORDSA-N 2 1 220.320 1.273 10 0 BDAEMP CC1(C)[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000084237368 344367858 /nfs/dbraw/zinc/36/78/58/344367858.db2.gz GUPZVIPUAXBIPV-LBPRGKRZSA-N 2 1 204.317 1.998 10 0 BDAEMP CC1(C)[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000084237368 344367860 /nfs/dbraw/zinc/36/78/60/344367860.db2.gz GUPZVIPUAXBIPV-LBPRGKRZSA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1SCCC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000227532433 344483571 /nfs/dbraw/zinc/48/35/71/344483571.db2.gz XNVCHVARDWPJOC-AEJSXWLSSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1SCCC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 ZINC000227532433 344483574 /nfs/dbraw/zinc/48/35/74/344483574.db2.gz XNVCHVARDWPJOC-AEJSXWLSSA-N 2 1 200.351 1.304 10 0 BDAEMP CC1(C)CCSC[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000227543648 344492389 /nfs/dbraw/zinc/49/23/89/344492389.db2.gz FNACVLYOTHMSAD-NXEZZACHSA-N 2 1 214.378 1.551 10 0 BDAEMP CC1(C)CCSC[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 ZINC000227543648 344492393 /nfs/dbraw/zinc/49/23/93/344492393.db2.gz FNACVLYOTHMSAD-NXEZZACHSA-N 2 1 214.378 1.551 10 0 BDAEMP [NH3+]C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCSC1 ZINC000224531566 344938221 /nfs/dbraw/zinc/93/82/21/344938221.db2.gz MVNHYKAPQZYFHR-OLZOCXBDSA-N 2 1 236.384 1.857 10 0 BDAEMP C[C@H]([C@@H]1CCOC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000390088212 323083380 /nfs/dbraw/zinc/08/33/80/323083380.db2.gz HHKJFKZDPVKRGL-FDYHWXHSSA-N 2 1 226.364 1.328 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000248152333 345059538 /nfs/dbraw/zinc/05/95/38/345059538.db2.gz XXYORQBLIVDNEL-ZIAGYGMSSA-N 2 1 234.343 1.089 10 0 BDAEMP C[N@H+]1CCC[C@@H](CNC2=[NH+]CCS2)C1 ZINC000044538300 345112742 /nfs/dbraw/zinc/11/27/42/345112742.db2.gz RGFFDXHXNCVYLR-VIFPVBQESA-N 2 1 213.350 1.021 10 0 BDAEMP COC1(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000634998288 345198200 /nfs/dbraw/zinc/19/82/00/345198200.db2.gz CYQZLRRFPCUXBB-NEPJUHHUSA-N 2 1 226.364 1.472 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000635000135 345201906 /nfs/dbraw/zinc/20/19/06/345201906.db2.gz HWONBRVQXCXUKM-PWSUYJOCSA-N 2 1 220.316 1.419 10 0 BDAEMP C=Cc1ccc(C[NH+](CCC[NH3+])CCC[NH3+])cc1 ZINC000168304761 345812336 /nfs/dbraw/zinc/81/23/36/345812336.db2.gz PFWKWWXMPSNZLE-UHFFFAOYSA-N 3 1 247.386 1.829 10 0 BDAEMP C[NH2+][C@H]1Cc2ccccc2C[C@@H]1[NH+]1CCCC1 ZINC000034373095 345822538 /nfs/dbraw/zinc/82/25/38/345822538.db2.gz OXKGPVCFUIRFHJ-GJZGRUSLSA-N 2 1 230.355 1.838 10 0 BDAEMP CC[C@H](C[NH3+])[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000669377539 537964831 /nfs/dbraw/zinc/96/48/31/537964831.db2.gz STNPBWJBVJDOIR-CABCVRRESA-N 2 1 248.370 1.608 10 0 BDAEMP CC(C)(C[NH3+])[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000669377590 537965040 /nfs/dbraw/zinc/96/50/40/537965040.db2.gz UMDIVSQNDQYLHS-HNNXBMFYSA-N 2 1 248.370 1.608 10 0 BDAEMP CC[N@@H+](CC(C)C)C[C@@H]1CNC[C@H](C[NH3+])C1 ZINC000669378615 537969440 /nfs/dbraw/zinc/96/94/40/537969440.db2.gz JFHFPWIHLQGPPO-STQMWFEESA-N 2 1 227.396 1.149 10 0 BDAEMP Cc1cccc(C[C@@H]2C[N@@H+](C)CC[C@H]2[NH3+])c1 ZINC000257596653 179104532 /nfs/dbraw/zinc/10/45/32/179104532.db2.gz PJBGXUDMHIMCNH-ZIAGYGMSSA-N 2 1 218.344 1.817 10 0 BDAEMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000580182114 346621636 /nfs/dbraw/zinc/62/16/36/346621636.db2.gz GLAJKSBENFJBHT-AVGNSLFASA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CCC[NH2+]C1 ZINC000580182114 346621638 /nfs/dbraw/zinc/62/16/38/346621638.db2.gz GLAJKSBENFJBHT-AVGNSLFASA-N 2 1 225.380 1.058 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCCSC2)C1 ZINC000250768359 362819533 /nfs/dbraw/zinc/81/95/33/362819533.db2.gz UBZZTJZRQULCIR-QWRGUYRKSA-N 2 1 214.378 1.423 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000251709852 362901040 /nfs/dbraw/zinc/90/10/40/362901040.db2.gz OVOYRGANLFMACY-MXWKQRLJSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000251709852 362901043 /nfs/dbraw/zinc/90/10/43/362901043.db2.gz OVOYRGANLFMACY-MXWKQRLJSA-N 2 1 214.378 1.551 10 0 BDAEMP c1ccc2c(c1)cc[nH+]c2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000250497837 349171836 /nfs/dbraw/zinc/17/18/36/349171836.db2.gz BVQAMCATLURFQM-ITGUQSILSA-N 2 1 225.295 1.865 10 0 BDAEMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1N ZINC000049330758 180252399 /nfs/dbraw/zinc/25/23/99/180252399.db2.gz ACCYHUHQIOCOFL-UHFFFAOYSA-N 2 1 244.342 1.906 10 0 BDAEMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1N ZINC000049330758 180252401 /nfs/dbraw/zinc/25/24/01/180252401.db2.gz ACCYHUHQIOCOFL-UHFFFAOYSA-N 2 1 244.342 1.906 10 0 BDAEMP COC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000396603687 323312287 /nfs/dbraw/zinc/31/22/87/323312287.db2.gz BSPMKCZZFKQPHB-SRVKXCTJSA-N 2 1 214.353 1.388 10 0 BDAEMP Cc1[nH+]ccn1CCOCC[C@@H]1CCC[NH2+]C1 ZINC000051918297 180263583 /nfs/dbraw/zinc/26/35/83/180263583.db2.gz ZNQVLCHYJSQHKB-ZDUSSCGKSA-N 2 1 237.347 1.598 10 0 BDAEMP Cc1[nH+]ccn1Cc1ccccc1CC[NH3+] ZINC000082968836 180269208 /nfs/dbraw/zinc/26/92/08/180269208.db2.gz NORQDJZPSNBMLZ-UHFFFAOYSA-N 2 1 215.300 1.741 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](c1ccco1)[C@H](C)[NH3+] ZINC000043336365 180271326 /nfs/dbraw/zinc/27/13/26/180271326.db2.gz GRPRWSTZIAZRHT-GZMMTYOYSA-N 2 1 205.261 1.721 10 0 BDAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1cccc(F)c1 ZINC000042973152 180271986 /nfs/dbraw/zinc/27/19/86/180271986.db2.gz FFISGXSVGLNHLX-GFCCVEGCSA-N 2 1 219.263 1.879 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(OC)c(C)c1 ZINC000725262837 538089816 /nfs/dbraw/zinc/08/98/16/538089816.db2.gz XXXFDZFAQGWONK-TZMCWYRMSA-N 2 1 234.343 1.798 10 0 BDAEMP Cc1[nH+]cn(C[C@H]2CC[C@H](C[NH3+])O2)c1C ZINC000052593598 180286716 /nfs/dbraw/zinc/28/67/16/180286716.db2.gz DKFNGJUDDIIQOP-GHMZBOCLSA-N 2 1 209.293 1.006 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1c(F)cccc1Br ZINC000306737583 350909061 /nfs/dbraw/zinc/90/90/61/350909061.db2.gz RLRDPZWVLFDAGR-MRVPVSSYSA-N 2 1 247.111 1.937 10 0 BDAEMP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc(CO)c2)CC1 ZINC000616629220 351100068 /nfs/dbraw/zinc/10/00/68/351100068.db2.gz UGOYZLCFRSDDKG-CQSZACIVSA-N 2 1 248.370 1.707 10 0 BDAEMP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc(CO)c2)CC1 ZINC000616629220 351100069 /nfs/dbraw/zinc/10/00/69/351100069.db2.gz UGOYZLCFRSDDKG-CQSZACIVSA-N 2 1 248.370 1.707 10 0 BDAEMP CC(=[NH2+])N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000307024501 351433372 /nfs/dbraw/zinc/43/33/72/351433372.db2.gz YRBSZFSAOBXAPL-WDNDVIMCSA-N 2 1 229.327 1.704 10 0 BDAEMP C/C(=C\Cl)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000232008741 351505884 /nfs/dbraw/zinc/50/58/84/351505884.db2.gz YJARHYXZPIUHBV-KTXMEBRGSA-N 2 1 200.713 1.280 10 0 BDAEMP Clc1ncc(C[NH2+]C[C@@H]2CC[NH2+]C2)s1 ZINC000095070202 180602109 /nfs/dbraw/zinc/60/21/09/180602109.db2.gz HAHSJENMPRBAGR-SSDOTTSWSA-N 2 1 231.752 1.496 10 0 BDAEMP CS[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000307232742 351688112 /nfs/dbraw/zinc/68/81/12/351688112.db2.gz DQXNRFBMLKMPRB-SNVBAGLBSA-N 2 1 200.351 1.176 10 0 BDAEMP CS[C@H]1CC[N@@H+]([C@H]2CCCC[NH2+]C2)C1 ZINC000307254988 351790564 /nfs/dbraw/zinc/79/05/64/351790564.db2.gz YZBJLLJZRPNTRA-QWRGUYRKSA-N 2 1 214.378 1.566 10 0 BDAEMP CS[C@H]1CC[N@H+]([C@H]2CCCC[NH2+]C2)C1 ZINC000307254988 351790567 /nfs/dbraw/zinc/79/05/67/351790567.db2.gz YZBJLLJZRPNTRA-QWRGUYRKSA-N 2 1 214.378 1.566 10 0 BDAEMP Cl/C=C/C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000307326733 352020632 /nfs/dbraw/zinc/02/06/32/352020632.db2.gz NQCJAFWANROYSH-MRSNMJRISA-N 2 1 200.713 1.280 10 0 BDAEMP Cl/C=C/C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000307326733 352020634 /nfs/dbraw/zinc/02/06/34/352020634.db2.gz NQCJAFWANROYSH-MRSNMJRISA-N 2 1 200.713 1.280 10 0 BDAEMP CCCCCC[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038121 168661877 /nfs/dbraw/zinc/66/18/77/168661877.db2.gz KVBCXMKMUPNLQT-UHFFFAOYSA-N 2 1 241.423 1.923 10 0 BDAEMP CC[C@@H]1C[N@@H+]([C@@H](C)[C@@H](C)[NH3+])CCCO1 ZINC000300911723 363120490 /nfs/dbraw/zinc/12/04/90/363120490.db2.gz OYFZTHZLWJZPHB-OUAUKWLOSA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@@H]1C[N@H+]([C@@H](C)[C@@H](C)[NH3+])CCCO1 ZINC000300911723 363120494 /nfs/dbraw/zinc/12/04/94/363120494.db2.gz OYFZTHZLWJZPHB-OUAUKWLOSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C2CSC2)C1 ZINC000307466952 352616232 /nfs/dbraw/zinc/61/62/32/352616232.db2.gz KGGZYYHLRBLVDA-DTWKUNHWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H](C[NH3+])[C@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000307494421 352625025 /nfs/dbraw/zinc/62/50/25/352625025.db2.gz HTHLDRSEOCTVEW-AXFHLTTASA-N 2 1 216.394 1.797 10 0 BDAEMP C([NH2+][C@@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000232452725 352676926 /nfs/dbraw/zinc/67/69/26/352676926.db2.gz XZRAXUYDBRVMTN-NXEZZACHSA-N 2 1 200.351 1.224 10 0 BDAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CSC1 ZINC000307131048 353056716 /nfs/dbraw/zinc/05/67/16/353056716.db2.gz SPRPYGDTPGOQDZ-IUCAKERBSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000307694127 353094416 /nfs/dbraw/zinc/09/44/16/353094416.db2.gz ZMHVMLMNLXACFD-AEJSXWLSSA-N 2 1 200.351 1.222 10 0 BDAEMP C[C@@H]([NH2+]Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000571669479 353489479 /nfs/dbraw/zinc/48/94/79/353489479.db2.gz OKFBTGQLRZYAPB-GHMZBOCLSA-N 2 1 208.305 1.757 10 0 BDAEMP CC(C)[C@H](C)[N@H+](C)[C@@H]1COCC[C@H]1[NH3+] ZINC000252408716 363237823 /nfs/dbraw/zinc/23/78/23/363237823.db2.gz JJSZFWIZHBPKMX-HBNTYKKESA-N 2 1 200.326 1.079 10 0 BDAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H]1COCC[C@H]1[NH3+] ZINC000252408716 363237827 /nfs/dbraw/zinc/23/78/27/363237827.db2.gz JJSZFWIZHBPKMX-HBNTYKKESA-N 2 1 200.326 1.079 10 0 BDAEMP Cc1cccc(C[NH2+]C2CC[NH+](CCO)CC2)c1 ZINC000399020711 353694282 /nfs/dbraw/zinc/69/42/82/353694282.db2.gz HCZSGUCRYKPRJT-UHFFFAOYSA-N 2 1 248.370 1.541 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405807918 355301790 /nfs/dbraw/zinc/30/17/90/355301790.db2.gz RVKCXGVBJNHHGN-GUBZILKMSA-N 2 1 200.351 1.304 10 0 BDAEMP NC(=[NH2+])c1cccc(C[N@H+]2CCCOCC2)c1 ZINC000061919005 181195840 /nfs/dbraw/zinc/19/58/40/181195840.db2.gz WISUWIFHIOTISG-UHFFFAOYSA-N 2 1 233.315 1.193 10 0 BDAEMP C[C@@]1(NC(N)=[NH2+])CC[N@@H+](Cc2ccccc2)C1 ZINC000405975134 355515789 /nfs/dbraw/zinc/51/57/89/355515789.db2.gz BEUUURVEGHWHJZ-CYBMUJFWSA-N 2 1 232.331 1.134 10 0 BDAEMP C[C@@H]1C[N@H+](CCC2C[NH2+]C2)C[C@H](C)S1 ZINC000129711913 355923099 /nfs/dbraw/zinc/92/30/99/355923099.db2.gz MSLINHDEHFZICR-AOOOYVTPSA-N 2 1 214.378 1.422 10 0 BDAEMP Cc1nccn1CCC[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421014926 192301687 /nfs/dbraw/zinc/30/16/87/192301687.db2.gz KUTYERRIHGCYSZ-AAEUAGOBSA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421014926 192301690 /nfs/dbraw/zinc/30/16/90/192301690.db2.gz KUTYERRIHGCYSZ-AAEUAGOBSA-N 2 1 237.347 1.427 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421014926 192301692 /nfs/dbraw/zinc/30/16/92/192301692.db2.gz KUTYERRIHGCYSZ-AAEUAGOBSA-N 2 1 237.347 1.427 10 0 BDAEMP C[C@H]1CC[C@H](O)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000421033295 192309798 /nfs/dbraw/zinc/30/97/98/192309798.db2.gz XNICENHWWFUMPG-KBPBESRZSA-N 2 1 240.391 1.708 10 0 BDAEMP CCC[N@@H+](C)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059735 538485291 /nfs/dbraw/zinc/48/52/91/538485291.db2.gz VZPOTMISCQSLJR-OAHLLOKOSA-N 2 1 248.370 1.708 10 0 BDAEMP [NH3+][C@@H]1C=C(CC[C@@H]2CCCCO2)C[NH2+]C1 ZINC000675079124 538517091 /nfs/dbraw/zinc/51/70/91/538517091.db2.gz WQKRILCXZDSKIG-NEPJUHHUSA-N 2 1 210.321 1.193 10 0 BDAEMP CCc1nc(NC[C@H]([NH3+])C(C)C)cc(C)[nH+]1 ZINC000304274477 357160935 /nfs/dbraw/zinc/16/09/35/357160935.db2.gz DDUUORXGIVNBAS-JTQLQIEISA-N 2 1 222.336 1.743 10 0 BDAEMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2CN)CS1 ZINC000252682552 366431862 /nfs/dbraw/zinc/43/18/62/366431862.db2.gz CJWDONXLTOOBBX-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])CS1 ZINC000252682552 366431869 /nfs/dbraw/zinc/43/18/69/366431869.db2.gz CJWDONXLTOOBBX-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)[C@@H]1CCCOC1 ZINC000396619465 358449383 /nfs/dbraw/zinc/44/93/83/358449383.db2.gz UNJZOMMYXQIHRC-UMSGYPCISA-N 2 1 226.364 1.532 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)[C@H]1CCCOC1 ZINC000396619462 358449442 /nfs/dbraw/zinc/44/94/42/358449442.db2.gz UNJZOMMYXQIHRC-QNWHQSFQSA-N 2 1 226.364 1.532 10 0 BDAEMP C[C@@H]1CSC[C@]1(C[NH3+])[NH+]1CCCC1 ZINC000306200516 359028502 /nfs/dbraw/zinc/02/85/02/359028502.db2.gz LRNXVIFXCUMUOP-ZJUUUORDSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC(C)(C)C)CCO1 ZINC000169122255 359313737 /nfs/dbraw/zinc/31/37/37/359313737.db2.gz ZIWHWABIUMUCOQ-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC(C)(C)C)CCO1 ZINC000169122255 359313739 /nfs/dbraw/zinc/31/37/39/359313739.db2.gz ZIWHWABIUMUCOQ-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H]1COC(C)(C)[C@H]1[NH3+] ZINC000306248675 359445696 /nfs/dbraw/zinc/44/56/96/359445696.db2.gz XQUAPWNUMWQDMK-UWVGGRQHSA-N 2 1 200.326 1.079 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000306257673 359472585 /nfs/dbraw/zinc/47/25/85/359472585.db2.gz QNAHTWXQHBWLFW-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CCC[C@@H]1C[NH3+] ZINC000306257673 359472588 /nfs/dbraw/zinc/47/25/88/359472588.db2.gz QNAHTWXQHBWLFW-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP O[C@@]1([C@@H]2C=CC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306344237 359662903 /nfs/dbraw/zinc/66/29/03/359662903.db2.gz CKWIOFQLDHMHFO-GJZGRUSLSA-N 2 1 244.338 1.151 10 0 BDAEMP c1cn(CCC[NH2+][C@H]2CC[NH2+]C2)c2ccccc12 ZINC000094075380 360295438 /nfs/dbraw/zinc/29/54/38/360295438.db2.gz WPHDKOFOIFTBAN-AWEZNQCLSA-N 2 1 243.354 1.983 10 0 BDAEMP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000306584515 360481966 /nfs/dbraw/zinc/48/19/66/360481966.db2.gz QCNMWDALQYRLHX-KXUCPTDWSA-N 2 1 200.351 1.080 10 0 BDAEMP C[C@@H]1C[N@H+](CCC(N)=[NH2+])C[C@H](C)S1 ZINC000069908663 361015449 /nfs/dbraw/zinc/01/54/49/361015449.db2.gz FKWOSNAEQCJTIY-OCAPTIKFSA-N 2 1 201.339 1.138 10 0 BDAEMP CC(C)C[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309687689 491154462 /nfs/dbraw/zinc/15/44/62/491154462.db2.gz ORLVUCYHEWUEPQ-LBPRGKRZSA-N 2 1 228.380 1.467 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000379723342 361360318 /nfs/dbraw/zinc/36/03/18/361360318.db2.gz NHWIOYURZJFRKO-RWMBFGLXSA-N 2 1 240.391 1.610 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000379723342 361360320 /nfs/dbraw/zinc/36/03/20/361360320.db2.gz NHWIOYURZJFRKO-RWMBFGLXSA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@H]1CC[C@@](C[NH3+])([NH+]2CCSCC2)C1 ZINC000070644399 361693853 /nfs/dbraw/zinc/69/38/53/361693853.db2.gz QNFJCSZIWXHTKP-WDEREUQCSA-N 2 1 214.378 1.553 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630354793 364077720 /nfs/dbraw/zinc/07/77/20/364077720.db2.gz AZIWGHNNKQPZAK-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP CO[C@H]1C[N@@H+](CCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356692 364078015 /nfs/dbraw/zinc/07/80/15/364078015.db2.gz TVWSCADFCNKHTD-NEPJUHHUSA-N 2 1 214.353 1.471 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@H]1CNc1[nH+]ccc2ccccc21 ZINC000630511313 364196492 /nfs/dbraw/zinc/19/64/92/364196492.db2.gz CSZDMUJMSQVIJV-WCQYABFASA-N 2 1 243.310 1.227 10 0 BDAEMP [NH3+]CC1(C[NH+]2CCN(C3CC3)CC2)CCCC1 ZINC000051285153 181359159 /nfs/dbraw/zinc/35/91/59/181359159.db2.gz HUKBZOHZODSTSL-UHFFFAOYSA-N 2 1 237.391 1.286 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000051254850 181359285 /nfs/dbraw/zinc/35/92/85/181359285.db2.gz URVZWCHTNOMSML-GFCCVEGCSA-N 2 1 226.364 1.352 10 0 BDAEMP Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)nc(C)[nH+]1 ZINC000630533341 364225031 /nfs/dbraw/zinc/22/50/31/364225031.db2.gz CDAJVRXHSPRHFR-KCJUWKMLSA-N 2 1 220.320 1.646 10 0 BDAEMP [NH3+]CCN1CCC[N@H+](C2CCCCC2)CC1 ZINC000037039801 181391603 /nfs/dbraw/zinc/39/16/03/181391603.db2.gz LAVPLICAOXPUKV-UHFFFAOYSA-N 2 1 225.380 1.286 10 0 BDAEMP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2C(N)=O)C1 ZINC000184074365 367062886 /nfs/dbraw/zinc/06/28/86/367062886.db2.gz QYBAAYOTQYPCMS-JTQLQIEISA-N 2 1 248.330 1.077 10 0 BDAEMP CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2C(N)=O)C1 ZINC000184074365 367062889 /nfs/dbraw/zinc/06/28/89/367062889.db2.gz QYBAAYOTQYPCMS-JTQLQIEISA-N 2 1 248.330 1.077 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386017490 367899192 /nfs/dbraw/zinc/89/91/92/367899192.db2.gz NXMMKXIXEMSACB-HZSPNIEDSA-N 2 1 239.407 1.591 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CC[C@@H]([NH3+])C2)CCS1 ZINC000252978749 368177030 /nfs/dbraw/zinc/17/70/30/368177030.db2.gz DLGDXSOKPCDVMQ-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCCCS2)C1 ZINC000227021933 371769489 /nfs/dbraw/zinc/76/94/89/371769489.db2.gz HPSAFYUEEBVJRY-MNOVXSKESA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@@H]1C[N@@H+](C[Si](C)(C)C)CC[C@@H]1[NH3+] ZINC000401638616 371796451 /nfs/dbraw/zinc/79/64/51/371796451.db2.gz GODILJJHBWUOJY-ZJUUUORDSA-N 2 1 200.402 1.533 10 0 BDAEMP COC[C@@H](C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000163447045 371994785 /nfs/dbraw/zinc/99/47/85/371994785.db2.gz QGHWMRIHVWXVMR-DGCLKSJQSA-N 2 1 222.332 1.386 10 0 BDAEMP C[C@H]1C[N@H+](CCC(C)(C)[NH3+])[C@@H](C)CO1 ZINC000217447906 371956809 /nfs/dbraw/zinc/95/68/09/371956809.db2.gz GSQRFGGHBVHVGL-UWVGGRQHSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@H]1C[N@@H+](CCC(C)(C)[NH3+])[C@@H](C)CO1 ZINC000217447906 371956813 /nfs/dbraw/zinc/95/68/13/371956813.db2.gz GSQRFGGHBVHVGL-UWVGGRQHSA-N 2 1 200.326 1.223 10 0 BDAEMP CC[C@@H]([NH3+])C[N@@H+]1CCSC(C)(C)C1 ZINC000133348551 372027627 /nfs/dbraw/zinc/02/76/27/372027627.db2.gz YGGFCAWDIODKQA-SECBINFHSA-N 2 1 202.367 1.551 10 0 BDAEMP CC[C@@H]([NH3+])C[N@H+]1CCSC(C)(C)C1 ZINC000133348551 372027629 /nfs/dbraw/zinc/02/76/29/372027629.db2.gz YGGFCAWDIODKQA-SECBINFHSA-N 2 1 202.367 1.551 10 0 BDAEMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631837337 372627571 /nfs/dbraw/zinc/62/75/71/372627571.db2.gz RBPUEPRHFAUDMV-MFKMUULPSA-N 2 1 219.332 1.417 10 0 BDAEMP Cc1csc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838779 372634291 /nfs/dbraw/zinc/63/42/91/372634291.db2.gz VAMZMQNJDFPUCD-SCZZXKLOSA-N 2 1 225.361 1.478 10 0 BDAEMP Cc1csc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838779 372634295 /nfs/dbraw/zinc/63/42/95/372634295.db2.gz VAMZMQNJDFPUCD-SCZZXKLOSA-N 2 1 225.361 1.478 10 0 BDAEMP CCc1noc(C)c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839224 372635367 /nfs/dbraw/zinc/63/53/67/372635367.db2.gz CAWBGECRAPFXLO-KOLCDFICSA-N 2 1 237.347 1.572 10 0 BDAEMP C[N@@H+]([C@@H]1CCSC1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000040989184 373979068 /nfs/dbraw/zinc/97/90/68/373979068.db2.gz QZJNARKNPAPNKJ-KXUCPTDWSA-N 2 1 200.351 1.304 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000143133948 374138367 /nfs/dbraw/zinc/13/83/67/374138367.db2.gz FUDDCZSYXZHRSG-KGLIPLIRSA-N 2 1 246.354 1.737 10 0 BDAEMP CCC[N@@H+](CCN(C)C)CC1(C)CC[NH2+]CC1 ZINC000062841918 169157481 /nfs/dbraw/zinc/15/74/81/169157481.db2.gz ZLRGKBVPPWOKAJ-UHFFFAOYSA-N 2 1 241.423 1.650 10 0 BDAEMP CCC[N@H+]1CCc2nc(C[C@H](C)[NH3+])sc2C1 ZINC000054160948 169209000 /nfs/dbraw/zinc/20/90/00/169209000.db2.gz XRXUXRUEKUMQTG-VIFPVBQESA-N 2 1 239.388 1.801 10 0 BDAEMP CCC[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371480878 383831242 /nfs/dbraw/zinc/83/12/42/383831242.db2.gz RRLULBBKXOAGGM-QWRGUYRKSA-N 2 1 207.321 1.976 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCCC[NH3+] ZINC000092630137 384229697 /nfs/dbraw/zinc/22/96/97/384229697.db2.gz OQIVCHDLRAQTRU-LBPRGKRZSA-N 2 1 241.379 1.058 10 0 BDAEMP Cc1cc(N[C@@H](C)CCCC[NH3+])nc(C)[nH+]1 ZINC000336675129 384328433 /nfs/dbraw/zinc/32/84/33/384328433.db2.gz VBIWNVHMZKBNGO-VIFPVBQESA-N 2 1 222.336 1.445 10 0 BDAEMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCSC1)C2 ZINC000308829963 384329206 /nfs/dbraw/zinc/32/92/06/384329206.db2.gz ADJQVXZANAYDDZ-BDAKNGLRSA-N 2 1 223.345 1.362 10 0 BDAEMP [NH3+][C@@H]1CCC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000335581045 384934326 /nfs/dbraw/zinc/93/43/26/384934326.db2.gz MBAXLSRXZRNBMI-RKDXNWHRSA-N 2 1 225.723 1.839 10 0 BDAEMP CC(C)[C@H](C[NH3+])[N@@H+]1CCCO[C@@H](C)C1 ZINC000061916113 385002947 /nfs/dbraw/zinc/00/29/47/385002947.db2.gz HCFMWMXTLAOOQE-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H](C[NH3+])[N@H+]1CCCO[C@@H](C)C1 ZINC000061916113 385002955 /nfs/dbraw/zinc/00/29/55/385002955.db2.gz HCFMWMXTLAOOQE-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000647800980 385809193 /nfs/dbraw/zinc/80/91/93/385809193.db2.gz NKVPDBYRICBXSL-HZSPNIEDSA-N 2 1 216.328 1.742 10 0 BDAEMP FC1(F)CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000335035751 385926389 /nfs/dbraw/zinc/92/63/89/385926389.db2.gz YPWLDECCPYKRAI-IUCAKERBSA-N 2 1 204.264 1.516 10 0 BDAEMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336666661 386294095 /nfs/dbraw/zinc/29/40/95/386294095.db2.gz LJSRWBHDGWSQKC-NEPJUHHUSA-N 2 1 228.380 1.277 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CCS[C@@H]1C ZINC000575589077 386311145 /nfs/dbraw/zinc/31/11/45/386311145.db2.gz GKQRHCAGWWNUFP-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CCS[C@@H]1C ZINC000575589077 386311150 /nfs/dbraw/zinc/31/11/50/386311150.db2.gz GKQRHCAGWWNUFP-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000647971254 386509917 /nfs/dbraw/zinc/50/99/17/386509917.db2.gz ZZPQGPAXYNTFFL-RDBSUJKOSA-N 2 1 240.391 1.421 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCSC2)[C@H]1C ZINC000575582762 387059806 /nfs/dbraw/zinc/05/98/06/387059806.db2.gz HPQJJGYVZZTTQK-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCSC2)[C@H]1C ZINC000575582762 387059808 /nfs/dbraw/zinc/05/98/08/387059808.db2.gz HPQJJGYVZZTTQK-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591219 387156222 /nfs/dbraw/zinc/15/62/22/387156222.db2.gz UJRHMRDPKHDCKR-YNEHKIRRSA-N 2 1 225.380 1.058 10 0 BDAEMP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591219 387156227 /nfs/dbraw/zinc/15/62/27/387156227.db2.gz UJRHMRDPKHDCKR-YNEHKIRRSA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@@H]1C[C@@H](C2CC[NH2+]CC2)C[C@H](O)[N@H+]1C ZINC000536950647 387162447 /nfs/dbraw/zinc/16/24/47/387162447.db2.gz QNJMGHVWOFZSOG-JLLWLGSASA-N 2 1 212.337 1.035 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CS[C@H](C)C1 ZINC000575590692 387203793 /nfs/dbraw/zinc/20/37/93/387203793.db2.gz KYWVUOFXVXKBDF-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CS[C@H](C)C1 ZINC000575590692 387203795 /nfs/dbraw/zinc/20/37/95/387203795.db2.gz KYWVUOFXVXKBDF-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CSC1 ZINC000575487125 387257290 /nfs/dbraw/zinc/25/72/90/387257290.db2.gz KZISQSMGLYVLNU-WPRPVWTQSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@@]2(C[C@H]([NH3+])CO2)C[N@H+]1Cc1ccccc1 ZINC000575506881 387374996 /nfs/dbraw/zinc/37/49/96/387374996.db2.gz COKDIFDYDMUQNW-VHDGCEQUSA-N 2 1 246.354 1.767 10 0 BDAEMP [NH3+][C@@H]1CO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575509077 387392640 /nfs/dbraw/zinc/39/26/40/387392640.db2.gz RFZLCEGVIAEDEG-UONOGXRCSA-N 2 1 232.327 1.379 10 0 BDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCF)CC1 ZINC000128522532 387750959 /nfs/dbraw/zinc/75/09/59/387750959.db2.gz MHMIYYZRKYKYQM-LBPRGKRZSA-N 2 1 246.370 1.371 10 0 BDAEMP C/C(=C/Cl)C[NH+]1CCC(C)([NH3+])CC1 ZINC000575569676 387736894 /nfs/dbraw/zinc/73/68/94/387736894.db2.gz QRSKXTCLNCVJMD-CLFYSBASSA-N 2 1 202.729 1.942 10 0 BDAEMP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)O1 ZINC000193606323 387858143 /nfs/dbraw/zinc/85/81/43/387858143.db2.gz BGXOKFMKDHJIEB-FVCCEPFGSA-N 2 1 224.348 1.047 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)O1 ZINC000193606323 387858148 /nfs/dbraw/zinc/85/81/48/387858148.db2.gz BGXOKFMKDHJIEB-FVCCEPFGSA-N 2 1 224.348 1.047 10 0 BDAEMP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)o1 ZINC000168747739 387909411 /nfs/dbraw/zinc/90/94/11/387909411.db2.gz HIOUYTZBFYKXRW-NSHDSACASA-N 2 1 208.305 1.820 10 0 BDAEMP CC(C)C[C@@H](C[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000085432188 388088319 /nfs/dbraw/zinc/08/83/19/388088319.db2.gz JHZUICFMNQKFMJ-JTQLQIEISA-N 2 1 237.351 1.328 10 0 BDAEMP [NH3+][C@H]1C[C@H]([NH2+]CCn2cncn2)c2ccccc21 ZINC000362976776 388562661 /nfs/dbraw/zinc/56/26/61/388562661.db2.gz LSAVYUVTZCILDA-STQMWFEESA-N 2 1 243.314 1.013 10 0 BDAEMP C[C@H]1C[N@@H+](CC2CSC2)CC[C@@H]1[NH3+] ZINC000575488498 388880850 /nfs/dbraw/zinc/88/08/50/388880850.db2.gz SMDQROCNKRCAIN-WPRPVWTQSA-N 2 1 200.351 1.019 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CSC1 ZINC000575487120 388874498 /nfs/dbraw/zinc/87/44/98/388874498.db2.gz KZISQSMGLYVLNU-SCZZXKLOSA-N 2 1 200.351 1.161 10 0 BDAEMP C(C[NH+]1CCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172394975 533359989 /nfs/dbraw/zinc/35/99/89/533359989.db2.gz JIVMBVGQSXBTRW-CQSZACIVSA-N 2 1 237.391 1.252 10 0 BDAEMP C[C@@H]([NH2+]CCN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400591918 533394557 /nfs/dbraw/zinc/39/45/57/533394557.db2.gz UOOYVGNVOUEOQJ-OLZOCXBDSA-N 2 1 225.380 1.060 10 0 BDAEMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CC[NH2+]C1 ZINC000400696586 533457976 /nfs/dbraw/zinc/45/79/76/533457976.db2.gz JFZUIVZKIRSKSD-MNOVXSKESA-N 2 1 248.326 1.503 10 0 BDAEMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000274402534 132202852 /nfs/dbraw/zinc/20/28/52/132202852.db2.gz YCBYBKLOUDAXIU-CHWSQXEVSA-N 2 1 249.358 1.281 10 0 BDAEMP C[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC000051040710 132359798 /nfs/dbraw/zinc/35/97/98/132359798.db2.gz MTHLLPOAAIYTMK-UHFFFAOYSA-N 2 1 205.305 1.578 10 0 BDAEMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)nc1 ZINC000261550622 135189034 /nfs/dbraw/zinc/18/90/34/135189034.db2.gz LHFGRHUTDMNJSS-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)nc1 ZINC000261550622 135189036 /nfs/dbraw/zinc/18/90/36/135189036.db2.gz LHFGRHUTDMNJSS-ZDUSSCGKSA-N 2 1 233.359 1.949 10 0 BDAEMP CC1(C)C[N@@H+](CC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261997993 135270448 /nfs/dbraw/zinc/27/04/48/135270448.db2.gz SZZWDMBPLYOOSB-NEPJUHHUSA-N 2 1 226.364 1.472 10 0 BDAEMP CC1(C)C[N@@H+](CC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261997998 135270529 /nfs/dbraw/zinc/27/05/29/135270529.db2.gz SZZWDMBPLYOOSB-VXGBXAGGSA-N 2 1 226.364 1.472 10 0 BDAEMP c1cc2c(nc[nH+]c2NCCC2CC[NH2+]CC2)[nH]1 ZINC000650311292 398095441 /nfs/dbraw/zinc/09/54/41/398095441.db2.gz WHOSVJWCFLYACO-UHFFFAOYSA-N 2 1 245.330 1.711 10 0 BDAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2NCC[NH3+] ZINC000042377619 167031529 /nfs/dbraw/zinc/03/15/29/167031529.db2.gz KGECTSOBDNYSAV-FUNVUKJBSA-N 2 1 225.380 1.044 10 0 BDAEMP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000104136166 167109661 /nfs/dbraw/zinc/10/96/61/167109661.db2.gz KMGSZQTVRSSHGM-KBPBESRZSA-N 2 1 241.423 1.645 10 0 BDAEMP Cc1cc(N2CCC[C@H](C)[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000227200864 487612569 /nfs/dbraw/zinc/61/25/69/487612569.db2.gz CBTHQLFKKDOPOO-JOYOIKCWSA-N 2 1 234.347 1.657 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CC[NH+](C)CC1 ZINC000396444681 410884075 /nfs/dbraw/zinc/88/40/75/410884075.db2.gz CMDXBIRJHVGXHJ-OBJOEFQTSA-N 3 1 239.407 1.447 10 0 BDAEMP CC(C)C[NH2+]CCCC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000104132403 167002710 /nfs/dbraw/zinc/00/27/10/167002710.db2.gz WZXNHWZXDWPDQU-AWEZNQCLSA-N 2 1 241.423 1.648 10 0 BDAEMP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)C2CC2)O1 ZINC000052445581 167007068 /nfs/dbraw/zinc/00/70/68/167007068.db2.gz VEUPOYYPVVJXHX-UONOGXRCSA-N 2 1 240.391 1.874 10 0 BDAEMP CC(C)[N@H+]1CCc2nc(CC[NH3+])sc2C1 ZINC000019431926 167028952 /nfs/dbraw/zinc/02/89/52/167028952.db2.gz DWRVGRIFYYDWPY-UHFFFAOYSA-N 2 1 225.361 1.411 10 0 BDAEMP CC(C)[NH2+]C1(C[NH3+])Cc2ccccc2C1 ZINC000050271000 167095952 /nfs/dbraw/zinc/09/59/52/167095952.db2.gz AFMIURPFNJMPLH-UHFFFAOYSA-N 2 1 204.317 1.481 10 0 BDAEMP CC(C)[NH2+]CCCN1CCC(C[NH+](C)C)CC1 ZINC000042388774 167103051 /nfs/dbraw/zinc/10/30/51/167103051.db2.gz PHOOQAUTBJMOLW-UHFFFAOYSA-N 2 1 241.423 1.648 10 0 BDAEMP CC(C)[NH2+]CCN1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000309648513 167106283 /nfs/dbraw/zinc/10/62/83/167106283.db2.gz WVQZCECUSKYITG-OLZOCXBDSA-N 2 1 225.380 1.010 10 0 BDAEMP CC[NH+](CC)C[C@@H](C)[NH2+]CCc1cccnc1 ZINC000063222438 169784949 /nfs/dbraw/zinc/78/49/49/169784949.db2.gz CRBCLOPQNVBBLO-CYBMUJFWSA-N 2 1 235.375 1.944 10 0 BDAEMP CN(C)[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000104176037 410926388 /nfs/dbraw/zinc/92/63/88/410926388.db2.gz ODATVBVTOOOZEO-CQSZACIVSA-N 2 1 239.407 1.402 10 0 BDAEMP C[NH+](C)[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000104176037 410926394 /nfs/dbraw/zinc/92/63/94/410926394.db2.gz ODATVBVTOOOZEO-CQSZACIVSA-N 2 1 239.407 1.402 10 0 BDAEMP COc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)c(F)c1 ZINC000398421131 410964811 /nfs/dbraw/zinc/96/48/11/410964811.db2.gz YKERVUFSUHRDLH-JTQLQIEISA-N 2 1 238.306 1.533 10 0 BDAEMP Cc1cnc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)o1 ZINC000314761817 411053554 /nfs/dbraw/zinc/05/35/54/411053554.db2.gz SCVCQPXYMMWMJP-NSHDSACASA-N 2 1 248.330 2.000 10 0 BDAEMP OCC[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000656497164 411287837 /nfs/dbraw/zinc/28/78/37/411287837.db2.gz PARLJOOTVHXLBT-UHFFFAOYSA-N 2 1 238.375 1.365 10 0 BDAEMP CC1([NH2+][C@@H]2CCOC[C@@H]2[NH3+])CCCCC1 ZINC000091691213 168064864 /nfs/dbraw/zinc/06/48/64/168064864.db2.gz UGIKJLOXFBHPJV-WDEREUQCSA-N 2 1 212.337 1.415 10 0 BDAEMP CC1CCC(C[NH3+])([N@@H+]2CCCOCC2)CC1 ZINC000061916641 168152636 /nfs/dbraw/zinc/15/26/36/168152636.db2.gz LOSKRDDKZWCAJP-UHFFFAOYSA-N 2 1 226.364 1.616 10 0 BDAEMP CC1CCC(C[NH3+])([N@H+]2CCCOCC2)CC1 ZINC000061916641 168152639 /nfs/dbraw/zinc/15/26/39/168152639.db2.gz LOSKRDDKZWCAJP-UHFFFAOYSA-N 2 1 226.364 1.616 10 0 BDAEMP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000040502064 169966511 /nfs/dbraw/zinc/96/65/11/169966511.db2.gz XSVUHTRNPLJQFV-CYBMUJFWSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[N@H+]1CCC[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000040502064 169966514 /nfs/dbraw/zinc/96/65/14/169966514.db2.gz XSVUHTRNPLJQFV-CYBMUJFWSA-N 2 1 225.380 1.155 10 0 BDAEMP CC[N@H+]1CC[C@@H](CNC[C@@H]2CCCC[NH+]2C)C1 ZINC000054242792 170007422 /nfs/dbraw/zinc/00/74/22/170007422.db2.gz QGPZNOPVTUSCOG-KBPBESRZSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[NH+]1CC[C@@H](CNC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000054242792 170007423 /nfs/dbraw/zinc/00/74/23/170007423.db2.gz QGPZNOPVTUSCOG-KBPBESRZSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[NH+]1CC[C@@H](CNC[C@@H]2CCCC[N@H+]2C)C1 ZINC000054242792 170007424 /nfs/dbraw/zinc/00/74/24/170007424.db2.gz QGPZNOPVTUSCOG-KBPBESRZSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000054242792 170007425 /nfs/dbraw/zinc/00/74/25/170007425.db2.gz QGPZNOPVTUSCOG-KBPBESRZSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000054242792 170007426 /nfs/dbraw/zinc/00/74/26/170007426.db2.gz QGPZNOPVTUSCOG-KBPBESRZSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[N@H+]1CC[C@@H](CNCCC[NH+]2CCCC2)C1 ZINC000049332492 170007444 /nfs/dbraw/zinc/00/74/44/170007444.db2.gz BJAVVBUKYVHFPZ-AWEZNQCLSA-N 2 1 239.407 1.404 10 0 BDAEMP CC[N@@H+]1CC[C@@H](C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000049332492 170007445 /nfs/dbraw/zinc/00/74/45/170007445.db2.gz BJAVVBUKYVHFPZ-AWEZNQCLSA-N 3 1 239.407 1.404 10 0 BDAEMP CC[N@H+]1CC[C@@H](C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000049332492 170007446 /nfs/dbraw/zinc/00/74/46/170007446.db2.gz BJAVVBUKYVHFPZ-AWEZNQCLSA-N 3 1 239.407 1.404 10 0 BDAEMP CC[N@H+]1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000052172163 170015936 /nfs/dbraw/zinc/01/59/36/170015936.db2.gz NLVKNCWMLUWKHA-CYBMUJFWSA-N 2 1 226.364 1.344 10 0 BDAEMP CC[N@H+]1CCc2nc(C[C@@H](C)[NH3+])sc2C1 ZINC000054160995 170025479 /nfs/dbraw/zinc/02/54/79/170025479.db2.gz WCFWYBGBXFAEEI-MRVPVSSYSA-N 2 1 225.361 1.411 10 0 BDAEMP CCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000037034915 170093120 /nfs/dbraw/zinc/09/31/20/170093120.db2.gz TZAMYGBVOOCOHA-NSHDSACASA-N 2 1 249.358 1.102 10 0 BDAEMP CC[NH2+]CC(C)(C)C[N@H+]1CCCC[C@@H]1CCO ZINC000051213535 170110576 /nfs/dbraw/zinc/11/05/76/170110576.db2.gz SHZIGSWMCGMBJL-CYBMUJFWSA-N 2 1 242.407 1.859 10 0 BDAEMP CC[NH2+]CCC(=O)NCCCC[N@@H+](C)C(C)C ZINC000061299291 170111824 /nfs/dbraw/zinc/11/18/24/170111824.db2.gz FHCPOGACVCHJNI-UHFFFAOYSA-N 2 1 243.395 1.223 10 0 BDAEMP CC[NH2+]CCC[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480089 170112633 /nfs/dbraw/zinc/11/26/33/170112633.db2.gz FTPLMZURQHVLGU-CQSZACIVSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000053031033 170122911 /nfs/dbraw/zinc/12/29/11/170122911.db2.gz PHLABUXXOSTNRY-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000053031033 170122912 /nfs/dbraw/zinc/12/29/12/170122912.db2.gz PHLABUXXOSTNRY-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[NH2+][C@@H](C)CCC[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000053244795 170138641 /nfs/dbraw/zinc/13/86/41/170138641.db2.gz SLMJXFHENIEKKD-UONOGXRCSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[NH2+][C@@H](CC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061711962 170144858 /nfs/dbraw/zinc/14/48/58/170144858.db2.gz NILSMORDHVDOKE-GJZGRUSLSA-N 2 1 248.370 1.794 10 0 BDAEMP CC[NH2+][C@@H](CC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061711962 170144860 /nfs/dbraw/zinc/14/48/60/170144860.db2.gz NILSMORDHVDOKE-GJZGRUSLSA-N 2 1 248.370 1.794 10 0 BDAEMP CC[NH2+][C@@H]1CCOC[C@H]1n1c[nH+]c(C)c1C ZINC000051926705 170153104 /nfs/dbraw/zinc/15/31/04/170153104.db2.gz YCQNITPYFOKHGG-VXGBXAGGSA-N 2 1 223.320 1.439 10 0 BDAEMP CC[NH2+][C@H](C)C1CCN(c2[nH+]ccn2C)CC1 ZINC000104409264 170156746 /nfs/dbraw/zinc/15/67/46/170156746.db2.gz LDYJBDSIAXIXKF-LLVKDONJSA-N 2 1 236.363 1.635 10 0 BDAEMP CC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC000049712914 170167541 /nfs/dbraw/zinc/16/75/41/170167541.db2.gz UMHZFZFGZRTFDO-MJBXVCDLSA-N 2 1 239.407 1.258 10 0 BDAEMP CC[NH2+][C@]1(C[NH3+])CCc2ccccc2C1 ZINC000050270332 170170845 /nfs/dbraw/zinc/17/08/45/170170845.db2.gz HBHOJXVWNYUOET-CYBMUJFWSA-N 2 1 204.317 1.482 10 0 BDAEMP CC[C@@H](C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000368424378 170708843 /nfs/dbraw/zinc/70/88/43/170708843.db2.gz JMWWVXFPBKFFFN-GHMZBOCLSA-N 2 1 207.321 1.834 10 0 BDAEMP C[C@@H]1CC[C@H](Nc2cc[nH+]c(N(C)C)n2)C[NH2+]1 ZINC000630533816 411837549 /nfs/dbraw/zinc/83/75/49/411837549.db2.gz RRDLMAVVMCSHLW-ZJUUUORDSA-N 2 1 235.335 1.095 10 0 BDAEMP CC[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2[NH2+]C)CCO1 ZINC000053858176 171085619 /nfs/dbraw/zinc/08/56/19/171085619.db2.gz HEGWGHXGBFGLHT-MJBXVCDLSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2[NH2+]C)CCO1 ZINC000053858176 171085622 /nfs/dbraw/zinc/08/56/22/171085622.db2.gz HEGWGHXGBFGLHT-MJBXVCDLSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@H](C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000368424381 171286960 /nfs/dbraw/zinc/28/69/60/171286960.db2.gz JMWWVXFPBKFFFN-WDEREUQCSA-N 2 1 207.321 1.834 10 0 BDAEMP CCc1cc(NCC23CC(C2)C[NH2+]3)nc(C)[nH+]1 ZINC000663274073 412404202 /nfs/dbraw/zinc/40/42/02/412404202.db2.gz MLKNDLJTQNOATP-UHFFFAOYSA-N 2 1 232.331 1.511 10 0 BDAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1ccccc1 ZINC000042899622 172029689 /nfs/dbraw/zinc/02/96/89/172029689.db2.gz IUQHYUPZAORMJY-GFCCVEGCSA-N 2 1 215.300 1.994 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000310326570 487624253 /nfs/dbraw/zinc/62/42/53/487624253.db2.gz ARPKKOXWZYXYDQ-JSGCOSHPSA-N 2 1 242.407 1.856 10 0 BDAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCCC1 ZINC000310326572 487624333 /nfs/dbraw/zinc/62/43/33/487624333.db2.gz ARPKKOXWZYXYDQ-TZMCWYRMSA-N 2 1 242.407 1.856 10 0 BDAEMP CCn1cc[nH+]c1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000053712651 172225211 /nfs/dbraw/zinc/22/52/11/172225211.db2.gz JEYSSMNYLGBSIN-AOOOYVTPSA-N 2 1 208.309 1.090 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052206401 173005833 /nfs/dbraw/zinc/00/58/33/173005833.db2.gz FQKRCIDGSRBXIP-MCIONIFRSA-N 2 1 240.391 1.754 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CCN1CCC([NH3+])CC1 ZINC000036754161 173008655 /nfs/dbraw/zinc/00/86/55/173008655.db2.gz FXZGEFJPQHRMBF-ZDUSSCGKSA-N 2 1 225.380 1.284 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815697 173115652 /nfs/dbraw/zinc/11/56/52/173115652.db2.gz LBFUYAIJPIACGG-AWEZNQCLSA-N 2 1 248.370 1.997 10 0 BDAEMP C[N@@H+]1CC[C@@H](CNc2[nH+]cccc2N)C1 ZINC000037655374 173117745 /nfs/dbraw/zinc/11/77/45/173117745.db2.gz PUIKWSOVKQTGOJ-VIFPVBQESA-N 2 1 206.293 1.027 10 0 BDAEMP C[N@H+]1CC[C@@H](CNc2[nH+]cccc2N)C1 ZINC000037655374 173117747 /nfs/dbraw/zinc/11/77/47/173117747.db2.gz PUIKWSOVKQTGOJ-VIFPVBQESA-N 2 1 206.293 1.027 10 0 BDAEMP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000037484728 173147230 /nfs/dbraw/zinc/14/72/30/173147230.db2.gz FVXPZQHVWJSEIK-LLVKDONJSA-N 2 1 222.307 1.867 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000037484728 173147231 /nfs/dbraw/zinc/14/72/31/173147231.db2.gz FVXPZQHVWJSEIK-LLVKDONJSA-N 2 1 222.307 1.867 10 0 BDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484656 173147705 /nfs/dbraw/zinc/14/77/05/173147705.db2.gz XMHYPQQLDKYWSH-SNVBAGLBSA-N 2 1 210.346 1.789 10 0 BDAEMP C[N@H+]1CC[C@](C[NH3+])(Nc2ccccc2)C1 ZINC000082643360 173162364 /nfs/dbraw/zinc/16/23/64/173162364.db2.gz XLBBVWPHPLGKOU-GFCCVEGCSA-N 2 1 205.305 1.132 10 0 BDAEMP C[N@H+]1CC[C@](CC[NH3+])(c2cccs2)C1 ZINC000077304292 173162721 /nfs/dbraw/zinc/16/27/21/173162721.db2.gz KGXIPFVKVNZOKH-NSHDSACASA-N 2 1 210.346 1.670 10 0 BDAEMP C[NH2+]C1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000044562903 173323235 /nfs/dbraw/zinc/32/32/35/173323235.db2.gz UFURHYQJALCFLY-CYBMUJFWSA-N 2 1 225.380 1.155 10 0 BDAEMP C[NH2+]C1CCN([C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000049568539 173323893 /nfs/dbraw/zinc/32/38/93/173323893.db2.gz UVFPKPLOQCRYBK-ZIAGYGMSSA-N 2 1 237.391 1.297 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000040591867 173378400 /nfs/dbraw/zinc/37/84/00/173378400.db2.gz UIIDTAQZXSJCRP-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000040591867 173378401 /nfs/dbraw/zinc/37/84/01/173378401.db2.gz UIIDTAQZXSJCRP-GFCCVEGCSA-N 3 1 225.380 1.012 10 0 BDAEMP C[NH2+]Cc1cc(C[N@H+]2CCCSCC2)on1 ZINC000052371063 173387426 /nfs/dbraw/zinc/38/74/26/173387426.db2.gz GYFBVGUUZZDRIT-UHFFFAOYSA-N 2 1 241.360 1.333 10 0 BDAEMP COCCC[N@@H+](CCOC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042421832 174226950 /nfs/dbraw/zinc/22/69/50/174226950.db2.gz CYOMIXWCNCCQDN-QWHCGFSZSA-N 2 1 244.379 1.241 10 0 BDAEMP COCC[N@@H+](C)CC[C@@H]([NH3+])c1ccc(F)cc1 ZINC000053984529 174279486 /nfs/dbraw/zinc/27/94/86/174279486.db2.gz UTVPWPVYCZQDNA-CYBMUJFWSA-N 2 1 240.322 1.794 10 0 BDAEMP COCC[NH2+]CCCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000053499646 174332483 /nfs/dbraw/zinc/33/24/83/174332483.db2.gz ZGNZKENMJRCOTR-ZDUSSCGKSA-N 2 1 244.379 1.113 10 0 BDAEMP C[C@@H]1CC[N@H+](CCc2ccccc2)CC[NH2+]1 ZINC000049661494 176171288 /nfs/dbraw/zinc/17/12/88/176171288.db2.gz GUCLDWZNWJCGHV-CYBMUJFWSA-N 2 1 218.344 1.913 10 0 BDAEMP C[C@@H]1CC[N@@H+](CCc2ccccc2)CC[NH2+]1 ZINC000049661494 176171291 /nfs/dbraw/zinc/17/12/91/176171291.db2.gz GUCLDWZNWJCGHV-CYBMUJFWSA-N 2 1 218.344 1.913 10 0 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213.350 1.019 10 0 BDAEMP C[C@H](c1cnn(C)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000084494224 177052693 /nfs/dbraw/zinc/05/26/93/177052693.db2.gz DLAIFLXDJGYWGE-GHMZBOCLSA-N 2 1 222.336 1.152 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000044982860 177162583 /nfs/dbraw/zinc/16/25/83/177162583.db2.gz IIMXKKUVFQYJSK-RDBSUJKOSA-N 2 1 240.391 1.733 10 0 BDAEMP C[C@H]1CC[N@H+](Cc2ccccn2)CCC[NH2+]1 ZINC000049666509 177165134 /nfs/dbraw/zinc/16/51/34/177165134.db2.gz OZDYGFJBAUHIRX-LBPRGKRZSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2ccccn2)CCC[NH2+]1 ZINC000049666509 177165136 /nfs/dbraw/zinc/16/51/36/177165136.db2.gz OZDYGFJBAUHIRX-LBPRGKRZSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@H]1C[N@H+](CC2(C[NH3+])CCCC2)CCO1 ZINC000051210547 177244826 /nfs/dbraw/zinc/24/48/26/177244826.db2.gz SRSILYXHDPFISX-NSHDSACASA-N 2 1 212.337 1.226 10 0 BDAEMP C[C@H]1C[N@@H+](CC2(C[NH3+])CCCC2)CCO1 ZINC000051210547 177244828 /nfs/dbraw/zinc/24/48/28/177244828.db2.gz 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/nfs/dbraw/zinc/79/90/63/487799063.db2.gz WNDWBRRYGHAMGL-MRVPVSSYSA-N 2 1 215.247 1.784 10 0 BDAEMP Fc1cc(F)cc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398340107 323008080 /nfs/dbraw/zinc/00/80/80/323008080.db2.gz GHJDDZBKIKPUHO-SECBINFHSA-N 2 1 226.270 1.664 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121363953 324012075 /nfs/dbraw/zinc/01/20/75/324012075.db2.gz LJIKXHQFXQLEJM-DDHJBXDOSA-N 2 1 212.337 1.236 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121363953 324012077 /nfs/dbraw/zinc/01/20/77/324012077.db2.gz LJIKXHQFXQLEJM-DDHJBXDOSA-N 2 1 212.337 1.236 10 0 BDAEMP c1ccc2c(c1)C[C@H]2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090978323 491130302 /nfs/dbraw/zinc/13/03/02/491130302.db2.gz GUXLWIUWISZRMI-MELADBBJSA-N 2 1 228.339 1.478 10 0 BDAEMP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400353309 528501747 /nfs/dbraw/zinc/50/17/47/528501747.db2.gz LCFDAWWGMOUGBL-MELADBBJSA-N 2 1 241.423 1.550 10 0 BDAEMP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400430822 529091653 /nfs/dbraw/zinc/09/16/53/529091653.db2.gz BPZNZRNUOZRXKZ-AGIUHOORSA-N 2 1 225.380 1.058 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400430822 529091657 /nfs/dbraw/zinc/09/16/57/529091657.db2.gz BPZNZRNUOZRXKZ-AGIUHOORSA-N 2 1 225.380 1.058 10 0 BDAEMP CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000250755847 535187247 /nfs/dbraw/zinc/18/72/47/535187247.db2.gz FLHHNUFXGIIPSE-HZSPNIEDSA-N 2 1 240.391 1.875 10 0 BDAEMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCC[C@H]1O ZINC000252921701 536346914 /nfs/dbraw/zinc/34/69/14/536346914.db2.gz HMJUIGKJIBSYIM-UONOGXRCSA-N 2 1 240.391 1.708 10 0 BDAEMP COC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757126720 582501924 /nfs/dbraw/zinc/50/19/24/582501924.db2.gz GWNGOZZFTJLWPD-AGIUHOORSA-N 2 1 226.364 1.628 10 0 BDAEMP COC[C@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757126720 582501926 /nfs/dbraw/zinc/50/19/26/582501926.db2.gz GWNGOZZFTJLWPD-AGIUHOORSA-N 2 1 226.364 1.628 10 0 BDAEMP CCC[N@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757129599 582503991 /nfs/dbraw/zinc/50/39/91/582503991.db2.gz MAVTUXWXHWJHJI-CYBMUJFWSA-N 2 1 208.349 1.957 10 0 BDAEMP [NH3+]C[C@@H]1CCN1c1cc[nH+]c2ccsc21 ZINC000757140442 582520789 /nfs/dbraw/zinc/52/07/89/582520789.db2.gz DXSZKTOWYCTTOX-QMMMGPOBSA-N 2 1 219.313 1.834 10 0 BDAEMP [NH3+]C[C@H]1CCN1c1cc[nH+]cc1Br ZINC000757146477 582530551 /nfs/dbraw/zinc/53/05/51/582530551.db2.gz NWJLCJGJDNHSAU-SSDOTTSWSA-N 2 1 242.120 1.382 10 0 BDAEMP C[C@H]1C[C@H](C)OC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757148710 582532076 /nfs/dbraw/zinc/53/20/76/582532076.db2.gz NTBPWAOMGBHVDV-QWRGUYRKSA-N 2 1 224.348 1.728 10 0 BDAEMP C[C@H]1O[C@@]2(CCC[N@@H+](C)CC2)[NH2+]CC1(C)C ZINC000757150343 582534675 /nfs/dbraw/zinc/53/46/75/582534675.db2.gz QTIOVCLAZWQVNF-DGCLKSJQSA-N 2 1 226.364 1.833 10 0 BDAEMP [NH3+]Cc1cc([C@@H]2C[C@H]([NH3+])CCN2)ccc1C1CC1 ZINC000757237118 586443531 /nfs/dbraw/zinc/44/35/31/586443531.db2.gz 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ZINC000322409908 636863466 /nfs/dbraw/zinc/86/34/66/636863466.db2.gz YNCAJBMOCHARLB-RLAWYHOSSA-N 2 1 237.391 1.295 10 0 BDAEMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000322409908 636863467 /nfs/dbraw/zinc/86/34/67/636863467.db2.gz YNCAJBMOCHARLB-RLAWYHOSSA-N 2 1 237.391 1.295 10 0 BDAEMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322409908 636863471 /nfs/dbraw/zinc/86/34/71/636863471.db2.gz YNCAJBMOCHARLB-RLAWYHOSSA-N 2 1 237.391 1.295 10 0 BDAEMP CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322409908 636863478 /nfs/dbraw/zinc/86/34/78/636863478.db2.gz YNCAJBMOCHARLB-RLAWYHOSSA-N 2 1 237.391 1.295 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000164657283 640494447 /nfs/dbraw/zinc/49/44/47/640494447.db2.gz NJTQQHIHIUDOBZ-WOPDTQHZSA-N 2 1 212.337 1.082 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000253236129 642633335 /nfs/dbraw/zinc/63/33/35/642633335.db2.gz NJTQQHIHIUDOBZ-GRYCIOLGSA-N 2 1 212.337 1.082 10 0 BDAEMP O[C@@H](C[NH2+]C1CCCC1)C[NH+]1CCCCC1 ZINC000238013941 642773997 /nfs/dbraw/zinc/77/39/97/642773997.db2.gz XLHIIOKUHUHMQW-ZDUSSCGKSA-N 2 1 226.364 1.365 10 0 BDAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCO1 ZINC000252682456 643091697 /nfs/dbraw/zinc/09/16/97/643091697.db2.gz CBDSYINWUZJDLA-VXGBXAGGSA-N 2 1 214.353 1.471 10 0 BDAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757142441 643303998 /nfs/dbraw/zinc/30/39/98/643303998.db2.gz LFQZTSFZOQCFPT-KOLCDFICSA-N 2 1 234.290 1.442 10 0 BDAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000082645566 643363097 /nfs/dbraw/zinc/36/30/97/643363097.db2.gz VRYJPWNQEQQBLN-TUAOUCFPSA-N 2 1 212.337 1.225 10 0 BDAEMP CCN(c1cc[nH+]cc1Cl)[C@H]1CC[NH2+]C1 ZINC000086839903 644186042 /nfs/dbraw/zinc/18/60/42/644186042.db2.gz QESXYQOUBDJKIB-VIFPVBQESA-N 2 1 225.723 1.923 10 0 BDAEMP [NH3+]CCCCCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000086933029 644472765 /nfs/dbraw/zinc/47/27/65/644472765.db2.gz SWSDTDKUQYLDSX-ZDUSSCGKSA-N 2 1 225.380 1.286 10 0 BDAEMP CCC1([NH3+])CCN([C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000714752941 712497031 /nfs/dbraw/zinc/49/70/31/712497031.db2.gz FUOFCJYZTJIJRZ-OLZOCXBDSA-N 2 1 239.407 1.672 10 0 BDAEMP C[C@@H]1CC(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)O1 ZINC000724303891 710738313 /nfs/dbraw/zinc/73/83/13/710738313.db2.gz OSBXQUZKIXUQLA-NRWUCQMLSA-N 2 1 240.391 1.920 10 0 BDAEMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)O1 ZINC000724276841 711573283 /nfs/dbraw/zinc/57/32/83/711573283.db2.gz OSBXQUZKIXUQLA-ZUWCUPBKSA-N 2 1 240.391 1.920 10 0 BDAEMP COC[C@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000721966225 711845586 /nfs/dbraw/zinc/84/55/86/711845586.db2.gz TVEGCTRRNHMGDE-UONOGXRCSA-N 2 1 242.407 1.979 10 0 BDAEMP C[C@@H]1C[NH+](C[C@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC000700404563 711992428 /nfs/dbraw/zinc/99/24/28/711992428.db2.gz QKLAJFSSKXNBER-UPJWGTAASA-N 2 1 226.364 1.485 10 0 BDAEMP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000708341873 712189034 /nfs/dbraw/zinc/18/90/34/712189034.db2.gz WQFCQIBGJGPOQZ-CYDGBPFRSA-N 2 1 238.375 1.471 10 0 BDAEMP Cc1ccc(OCC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000708839342 712200539 /nfs/dbraw/zinc/20/05/39/712200539.db2.gz CWDHGJGCJISVIS-KBPBESRZSA-N 2 1 248.370 1.900 10 0 BDAEMP CO[C@@H]1C[N@@H+](CCCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000708977101 712205084 /nfs/dbraw/zinc/20/50/84/712205084.db2.gz KEUBOKWTSOPINN-QWHCGFSZSA-N 2 1 226.364 1.615 10 0 BDAEMP CO[C@H]1C[N@@H+](CCCC2CC2)[C@](C)(C[NH3+])C1 ZINC000708977098 712205315 /nfs/dbraw/zinc/20/53/15/712205315.db2.gz KEUBOKWTSOPINN-OLZOCXBDSA-N 2 1 226.364 1.615 10 0 BDAEMP COCC1CC([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000713976393 712475697 /nfs/dbraw/zinc/47/56/97/712475697.db2.gz FJQPJWPNDMHTTK-WNYYMSAVSA-N 2 1 212.337 1.142 10 0 BDAEMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000300403822 712670655 /nfs/dbraw/zinc/67/06/55/712670655.db2.gz HONDMONUBNEFPM-LBPRGKRZSA-N 2 1 238.379 1.527 10 0 BDAEMP CC(=O)[C@@H]1CCC[N@@H+](CCn2ccnc2C)C1 ZINC000111689860 712688530 /nfs/dbraw/zinc/68/85/30/712688530.db2.gz FDFGDSRMBIYDDI-CYBMUJFWSA-N 2 1 235.331 1.493 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CCNc1cc[nH+]cc1Cl ZINC000721074770 712890149 /nfs/dbraw/zinc/89/01/49/712890149.db2.gz MVVAOTDAHQLDGD-NXEZZACHSA-N 2 1 239.750 1.814 10 0 BDAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955097 538899774 /nfs/dbraw/zinc/89/97/74/538899774.db2.gz SVAUVUOTFVCPRE-XQHKEYJVSA-N 2 1 226.364 1.756 10 0 BDAEMP COc1ccc(C)cc1[C@@H]1C[NH2+]C[C@@]1(C)[NH3+] ZINC000685965455 538911829 /nfs/dbraw/zinc/91/18/29/538911829.db2.gz FBNBZMICKOGSKM-WCQYABFASA-N 2 1 220.316 1.408 10 0 BDAEMP COc1ccc(C)cc1[C@H]1C[NH2+]C[C@]1(C)[NH3+] ZINC000685965456 538911917 /nfs/dbraw/zinc/91/19/17/538911917.db2.gz FBNBZMICKOGSKM-YPMHNXCESA-N 2 1 220.316 1.408 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1F ZINC000685965578 538912097 /nfs/dbraw/zinc/91/20/97/538912097.db2.gz JZHVKEAUCVTFQU-BXKDBHETSA-N 2 1 224.279 1.239 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1C1CC1 ZINC000685965620 538912641 /nfs/dbraw/zinc/91/26/41/538912641.db2.gz LQKPQHUTAAIGON-KBPBESRZSA-N 2 1 216.328 1.968 10 0 BDAEMP Cc1cc(NCC2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000044509239 178158774 /nfs/dbraw/zinc/15/87/74/178158774.db2.gz GOGRJRHIVSQUFI-UHFFFAOYSA-N 2 1 220.320 1.505 10 0 BDAEMP CCC(CC)C[N@H+](CC)CC[C@@H]([NH2+]C)C(N)=O ZINC000062461612 168349119 /nfs/dbraw/zinc/34/91/19/168349119.db2.gz ZJHSOQNDVMPSED-GFCCVEGCSA-N 2 1 243.395 1.208 10 0 BDAEMP CCC(CC)C[N@@H+](CC)CC[C@@H]([NH2+]C)C(N)=O ZINC000062461612 168349122 /nfs/dbraw/zinc/34/91/22/168349122.db2.gz ZJHSOQNDVMPSED-GFCCVEGCSA-N 2 1 243.395 1.208 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000070798707 361758359 /nfs/dbraw/zinc/75/83/59/361758359.db2.gz UBZZTJZRQULCIR-GHMZBOCLSA-N 2 1 214.378 1.423 10 0 BDAEMP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2C)C1 ZINC000166100130 538938665 /nfs/dbraw/zinc/93/86/65/538938665.db2.gz SVDHWTCPGSDEME-GFCCVEGCSA-N 2 1 235.331 1.523 10 0 BDAEMP CC[N@H+]1CCO[C@H](CNc2cc[nH+]cc2C)C1 ZINC000166100130 538938666 /nfs/dbraw/zinc/93/86/66/538938666.db2.gz SVDHWTCPGSDEME-GFCCVEGCSA-N 2 1 235.331 1.523 10 0 BDAEMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCCC1(F)F ZINC000381724255 398270172 /nfs/dbraw/zinc/27/01/72/398270172.db2.gz RYIHNJBEZGSRDP-UWVGGRQHSA-N 2 1 236.306 1.063 10 0 BDAEMP CC[N@@H+]1C[C@H](C)[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000381344087 538998787 /nfs/dbraw/zinc/99/87/87/538998787.db2.gz YJZXCJVOXKSKNA-JOYOIKCWSA-N 2 1 239.750 1.909 10 0 BDAEMP CC[N@H+]1C[C@H](C)[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000381344087 538998788 /nfs/dbraw/zinc/99/87/88/538998788.db2.gz YJZXCJVOXKSKNA-JOYOIKCWSA-N 2 1 239.750 1.909 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@@H]2[NH3+])cc1C ZINC000211542657 539022160 /nfs/dbraw/zinc/02/21/60/539022160.db2.gz GHVSKSGHKHMVCT-MNOVXSKESA-N 2 1 206.289 1.018 10 0 BDAEMP Cc1nc(NC[C@@H]2CCC[NH2+]C2)c(C)c(C)[nH+]1 ZINC000045954991 343012868 /nfs/dbraw/zinc/01/28/68/343012868.db2.gz AXDUBAZSXMTIRK-GFCCVEGCSA-N 2 1 234.347 1.813 10 0 BDAEMP Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC000165736510 343212156 /nfs/dbraw/zinc/21/21/56/343212156.db2.gz OTWLJISZBWQPIU-SFYZADRCSA-N 2 1 208.309 1.631 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC3CCC3)C[C@@H]12 ZINC000398732786 488223702 /nfs/dbraw/zinc/22/37/02/488223702.db2.gz SXSIOKKNBZWESI-JHJVBQTASA-N 2 1 208.349 1.846 10 0 BDAEMP CC(C)(C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000380218544 343694767 /nfs/dbraw/zinc/69/47/67/343694767.db2.gz IWMKXCFLIKEDBM-SNVBAGLBSA-N 2 1 207.321 1.834 10 0 BDAEMP COC[C@H](C)[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C ZINC000128393884 346987976 /nfs/dbraw/zinc/98/79/76/346987976.db2.gz XARJPOALGRMONI-DCAQKATOSA-N 2 1 200.326 1.094 10 0 BDAEMP CCC[C@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409436404 343839169 /nfs/dbraw/zinc/83/91/69/343839169.db2.gz ZPSDJSYCRWWVGS-WCQYABFASA-N 2 1 226.364 1.221 10 0 BDAEMP O[C@H]1CC[N@H+](C2CC[NH2+]CC2)C[C@H]1CC1CC1 ZINC000409435753 343839928 /nfs/dbraw/zinc/83/99/28/343839928.db2.gz WJVHUMGURGNWTL-OCCSQVGLSA-N 2 1 238.375 1.221 10 0 BDAEMP Cc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)nc(C)[nH+]1 ZINC000385225921 344378316 /nfs/dbraw/zinc/37/83/16/344378316.db2.gz HZUQDDBODZWPOQ-WPRPVWTQSA-N 2 1 206.293 1.019 10 0 BDAEMP OCC[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000381550462 344520082 /nfs/dbraw/zinc/52/00/82/344520082.db2.gz MMNXZJNXGYSGHC-UHFFFAOYSA-N 2 1 240.372 1.294 10 0 BDAEMP CN(C)[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000675053492 537866418 /nfs/dbraw/zinc/86/64/18/537866418.db2.gz LFBDSFCTAHHWMR-HZSPNIEDSA-N 2 1 239.407 1.530 10 0 BDAEMP CCCn1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634999074 345199594 /nfs/dbraw/zinc/19/95/94/345199594.db2.gz PQGBIPCBXFHUTA-AAEUAGOBSA-N 2 1 236.363 1.320 10 0 BDAEMP C[C@H](C[NH3+])Nc1cc[nH+]cc1Br ZINC000159902724 345625727 /nfs/dbraw/zinc/62/57/27/345625727.db2.gz YTWCSPYCAARTBG-ZCFIWIBFSA-N 2 1 230.109 1.603 10 0 BDAEMP CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@]1(O)C[NH3+] ZINC000307700343 345903957 /nfs/dbraw/zinc/90/39/57/345903957.db2.gz LWSCMQGDXGIKOZ-GJZGRUSLSA-N 2 1 248.370 1.608 10 0 BDAEMP C[C@@H](C[NH3+])[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000669377871 537965585 /nfs/dbraw/zinc/96/55/85/537965585.db2.gz ZIQQSXSZORIRHV-DZGCQCFKSA-N 2 1 248.370 1.608 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CNC[C@H](C[NH3+])C1 ZINC000669378412 537965688 /nfs/dbraw/zinc/96/56/88/537965688.db2.gz DMZJLPXVXFRWJC-FRRDWIJNSA-N 2 1 225.380 1.045 10 0 BDAEMP C[C@@H]1C[NH2+]CC[C@]12[NH2+]C(C)(C)CS2 ZINC000229565727 346437511 /nfs/dbraw/zinc/43/75/11/346437511.db2.gz PSTQFPVZQSBAAI-PSASIEDQSA-N 2 1 200.351 1.427 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H]2CCSC2)C1 ZINC000160582938 346457922 /nfs/dbraw/zinc/45/79/22/346457922.db2.gz PMEOMYDYBCTODR-LPEHRKFASA-N 2 1 200.351 1.161 10 0 BDAEMP Cc1cccc([C@@H](O)C[NH+]2CCC([NH3+])CC2)c1 ZINC000070459743 179186586 /nfs/dbraw/zinc/18/65/86/179186586.db2.gz QVGWFFOBVGYEMX-AWEZNQCLSA-N 2 1 234.343 1.452 10 0 BDAEMP Cc1ccccc1CN(C)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990392 179268570 /nfs/dbraw/zinc/26/85/70/179268570.db2.gz NKZKQZFWAITTGP-HNNXBMFYSA-N 2 1 247.386 1.460 10 0 BDAEMP Cc1ccccc1[C@@H]([NH3+])CC[NH+]1CCC(O)CC1 ZINC000054015303 179325111 /nfs/dbraw/zinc/32/51/11/179325111.db2.gz GWWOPHJWOLTYGU-HNNXBMFYSA-N 2 1 248.370 1.842 10 0 BDAEMP C[C@@H]1C[NH2+][C@@]2(CC[N@@H+](C)[C@H](C)C2)S1 ZINC000251692084 362899436 /nfs/dbraw/zinc/89/94/36/362899436.db2.gz AWIVFFDPRLPXNA-BBBLOLIVSA-N 2 1 200.351 1.522 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251736594 362902151 /nfs/dbraw/zinc/90/21/51/362902151.db2.gz KPEOYBKZSKYBFZ-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[N@@H+](CC1([NH3+])CCCC1)[C@H]1CCSC1 ZINC000037479617 348617655 /nfs/dbraw/zinc/61/76/55/348617655.db2.gz DLLCTIYKCYSFBZ-JTQLQIEISA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CCC[NH2+]C1 ZINC000420165861 192167683 /nfs/dbraw/zinc/16/76/83/192167683.db2.gz NPLYKVHUSWIFOS-ZJUUUORDSA-N 2 1 245.330 1.758 10 0 BDAEMP CO[C@@H]1C[N@@H+](C(C)(C)C[NH3+])CC[C@H]1C ZINC000299916836 350038460 /nfs/dbraw/zinc/03/84/60/350038460.db2.gz SUWYMHPJJSKPPQ-NXEZZACHSA-N 2 1 200.326 1.081 10 0 BDAEMP CO[C@@H]1C[N@H+](C(C)(C)C[NH3+])CC[C@H]1C ZINC000299916836 350038463 /nfs/dbraw/zinc/03/84/63/350038463.db2.gz SUWYMHPJJSKPPQ-NXEZZACHSA-N 2 1 200.326 1.081 10 0 BDAEMP Cc1ncc(C[NH2+]C[C@@H]2CC[NH2+]C2)s1 ZINC000062117087 180152307 /nfs/dbraw/zinc/15/23/07/180152307.db2.gz SBQQOQYVDQNNBG-SECBINFHSA-N 2 1 211.334 1.151 10 0 BDAEMP Cc1[nH+]ccn1Cc1ccc(C(N)=[NH2+])cc1 ZINC000019424083 180270037 /nfs/dbraw/zinc/27/00/37/180270037.db2.gz CZJPPXFFLGPMLL-UHFFFAOYSA-N 2 1 214.272 1.524 10 0 BDAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2ccccn2)c1C ZINC000051925769 180289899 /nfs/dbraw/zinc/28/98/99/180289899.db2.gz COLZIQYUDMVBLE-LBPRGKRZSA-N 2 1 216.288 1.443 10 0 BDAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2ccco2)c1C ZINC000051925628 180290126 /nfs/dbraw/zinc/29/01/26/180290126.db2.gz FEOMTEWQLKBHIC-JTQLQIEISA-N 2 1 205.261 1.641 10 0 BDAEMP CC(C)(C)[N@H+]1CCOCC[C@@H]1CC[NH3+] ZINC000616597586 350652430 /nfs/dbraw/zinc/65/24/30/350652430.db2.gz CIXXLJLSHFWOLT-JTQLQIEISA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@H]1CCSCC[N@H+]1C1CC([NH3+])C1 ZINC000306754707 350967073 /nfs/dbraw/zinc/96/70/73/350967073.db2.gz MWVVQIKDTDIVPR-IDKOKCKLSA-N 2 1 200.351 1.304 10 0 BDAEMP C[N@@H+]1CCC[C@H](c2ccc[nH+]c2N)CC1 ZINC000616627762 351096783 /nfs/dbraw/zinc/09/67/83/351096783.db2.gz MXBFKTNWDIVQBN-JTQLQIEISA-N 2 1 205.305 1.863 10 0 BDAEMP C[N@H+]1CCC[C@H](c2ccc[nH+]c2N)CC1 ZINC000616627762 351096785 /nfs/dbraw/zinc/09/67/85/351096785.db2.gz MXBFKTNWDIVQBN-JTQLQIEISA-N 2 1 205.305 1.863 10 0 BDAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1C1(C[NH3+])CSC1 ZINC000306903321 351317880 /nfs/dbraw/zinc/31/78/80/351317880.db2.gz ISTOJIOEHIWJOI-VHSXEESVSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1(C[NH3+])CSC1 ZINC000306903321 351317881 /nfs/dbraw/zinc/31/78/81/351317881.db2.gz ISTOJIOEHIWJOI-VHSXEESVSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C[C@H]2C)CCS1 ZINC000307030337 351431643 /nfs/dbraw/zinc/43/16/43/351431643.db2.gz DNLWGMRFGHDXHV-GMTAPVOTSA-N 2 1 214.378 1.422 10 0 BDAEMP [NH3+]C[C@H]1CC[C@@H]1[N@@H+]1CCC=C(Cl)C1 ZINC000404388042 351416758 /nfs/dbraw/zinc/41/67/58/351416758.db2.gz GJYYOFOKNGWNDZ-SCZZXKLOSA-N 2 1 200.713 1.552 10 0 BDAEMP [NH3+]C[C@H]1CC[C@@H]1[N@H+]1CCC=C(Cl)C1 ZINC000404388042 351416762 /nfs/dbraw/zinc/41/67/62/351416762.db2.gz GJYYOFOKNGWNDZ-SCZZXKLOSA-N 2 1 200.713 1.552 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]([N@@H+]2CCC=C(Cl)C2)C1 ZINC000404396393 351421878 /nfs/dbraw/zinc/42/18/78/351421878.db2.gz PYNOKWWHWIBHLS-NXEZZACHSA-N 2 1 200.713 1.695 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]([N@H+]2CCC=C(Cl)C2)C1 ZINC000404396393 351421885 /nfs/dbraw/zinc/42/18/85/351421885.db2.gz PYNOKWWHWIBHLS-NXEZZACHSA-N 2 1 200.713 1.695 10 0 BDAEMP C[C@H]1CC[N@@H+](C2(C[NH3+])CC2)CCS1 ZINC000307101033 351476580 /nfs/dbraw/zinc/47/65/80/351476580.db2.gz HHSCOQGFTXMAFG-VIFPVBQESA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1CC[N@H+](C2(C[NH3+])CC2)CCS1 ZINC000307101033 351476585 /nfs/dbraw/zinc/47/65/85/351476585.db2.gz HHSCOQGFTXMAFG-VIFPVBQESA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]CC[C@H]([NH3+])c1c(F)ccc(F)c1Cl ZINC000307212632 351613749 /nfs/dbraw/zinc/61/37/49/351613749.db2.gz PHVDZPSWCGITSN-ZETCQYMHSA-N 2 1 220.650 1.967 10 0 BDAEMP C[C@@H]1CS[C@@]2(CC[N@@H+](C)C[C@@H]2C)[NH2+]1 ZINC000307249784 351756086 /nfs/dbraw/zinc/75/60/86/351756086.db2.gz OWWGSVCZEPSJHL-IVZWLZJFSA-N 2 1 200.351 1.379 10 0 BDAEMP C[C@@H]1CSCC[N@H+]([C@H]2CC[C@H]2C[NH3+])C1 ZINC000307461981 352611007 /nfs/dbraw/zinc/61/10/07/352611007.db2.gz GAATWQHDLFUULT-DCAQKATOSA-N 2 1 214.378 1.409 10 0 BDAEMP C[C@H]1[C@@H](N2CC([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000307395352 352569621 /nfs/dbraw/zinc/56/96/21/352569621.db2.gz NOZBBXBXWBRWNJ-WFASDCNBSA-N 2 1 245.370 1.292 10 0 BDAEMP C[C@@H]1CC[N@H+](C2CC([NH3+])C2)CCS1 ZINC000307498327 352626047 /nfs/dbraw/zinc/62/60/47/352626047.db2.gz KEQKDBVEALGPLZ-XNWIYYODSA-N 2 1 200.351 1.304 10 0 BDAEMP CS[C@@H]1CC[N@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000307508428 352627854 /nfs/dbraw/zinc/62/78/54/352627854.db2.gz NJCRPUNLTSXDCE-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP C[N@H+](Cc1ccccc1)CC(C)(C)NC(N)=[NH2+] ZINC000306598118 353028926 /nfs/dbraw/zinc/02/89/26/353028926.db2.gz OWYGGPVFCBVHNN-UHFFFAOYSA-N 2 1 234.347 1.380 10 0 BDAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(N)=[NH2+] ZINC000306598118 353028929 /nfs/dbraw/zinc/02/89/29/353028929.db2.gz OWYGGPVFCBVHNN-UHFFFAOYSA-N 2 1 234.347 1.380 10 0 BDAEMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C/C=C\Cl ZINC000308110551 353889684 /nfs/dbraw/zinc/88/96/84/353889684.db2.gz VWBJVPDQUNRBJV-QBNQYXCASA-N 2 1 202.729 1.669 10 0 BDAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C/C=C\Cl ZINC000308110551 353889686 /nfs/dbraw/zinc/88/96/86/353889686.db2.gz VWBJVPDQUNRBJV-QBNQYXCASA-N 2 1 202.729 1.669 10 0 BDAEMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)([NH3+])C2)CS1 ZINC000405791919 355295498 /nfs/dbraw/zinc/29/54/98/355295498.db2.gz LIVXMBNHOHICAI-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)([NH3+])C2)CS1 ZINC000405791919 355295499 /nfs/dbraw/zinc/29/54/99/355295499.db2.gz LIVXMBNHOHICAI-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405807926 355301950 /nfs/dbraw/zinc/30/19/50/355301950.db2.gz RVKCXGVBJNHHGN-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP NC(=[NH2+])CCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000062980680 181186948 /nfs/dbraw/zinc/18/69/48/181186948.db2.gz ZHAPZQSYTFYSIL-LBPRGKRZSA-N 2 1 238.379 1.263 10 0 BDAEMP NC(=[NH2+])CCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062980680 181186950 /nfs/dbraw/zinc/18/69/50/181186950.db2.gz ZHAPZQSYTFYSIL-LBPRGKRZSA-N 2 1 238.379 1.263 10 0 BDAEMP CCc1cc(N(C)CCC[NH3+])nc(C)[nH+]1 ZINC000084081953 355282887 /nfs/dbraw/zinc/28/28/87/355282887.db2.gz DSPBPBOVXHMXOF-UHFFFAOYSA-N 2 1 208.309 1.132 10 0 BDAEMP [NH3+][C@@H]1C=C(CCC(F)(F)Cl)C[NH2+]C1 ZINC000675078734 538515725 /nfs/dbraw/zinc/51/57/25/538515725.db2.gz RWUAZKAQDNVYKN-SSDOTTSWSA-N 2 1 210.655 1.455 10 0 BDAEMP [NH3+][C@@H]1C=C(CCc2ccsc2)C[NH2+]C1 ZINC000675078726 538516771 /nfs/dbraw/zinc/51/67/71/538516771.db2.gz RTLCHZSKCPRGJG-LLVKDONJSA-N 2 1 208.330 1.538 10 0 BDAEMP CC(C)[N@@H+](C)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080492 538519327 /nfs/dbraw/zinc/51/93/27/538519327.db2.gz RVBNTZBVYFGHSR-MNOVXSKESA-N 2 1 212.337 1.223 10 0 BDAEMP C/C(=C/Cl)C[N@@H+]1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000399656172 356999339 /nfs/dbraw/zinc/99/93/39/356999339.db2.gz ODEYMLPCUMYNLE-SMXPLPSPSA-N 2 1 200.713 1.408 10 0 BDAEMP CCC[C@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000390403485 357097027 /nfs/dbraw/zinc/09/70/27/357097027.db2.gz APDKBFLFJANYEC-YUMQZZPRSA-N 2 1 212.297 1.020 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H]([NH3+])C2)CS1 ZINC000300049710 357177649 /nfs/dbraw/zinc/17/76/49/357177649.db2.gz UJCABGXUIQZDRW-QCLAVDOMSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2C[C@H](C)[C@H]([NH3+])C2)CS1 ZINC000300049710 357177653 /nfs/dbraw/zinc/17/76/53/357177653.db2.gz UJCABGXUIQZDRW-QCLAVDOMSA-N 2 1 200.351 1.159 10 0 BDAEMP CCOc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685946690 538886997 /nfs/dbraw/zinc/88/69/97/538886997.db2.gz USPLMUHGKRSOAU-STQMWFEESA-N 2 1 220.316 1.490 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1[C@H](C)COC[C@@H]1C ZINC000685951715 538894920 /nfs/dbraw/zinc/89/49/20/538894920.db2.gz WEZVPLINQXHYSR-CXYFJQCHSA-N 2 1 226.364 1.340 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000685951715 538894921 /nfs/dbraw/zinc/89/49/21/538894921.db2.gz WEZVPLINQXHYSR-CXYFJQCHSA-N 2 1 226.364 1.340 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2CCS[C@H]2C)C1 ZINC000300352635 358971360 /nfs/dbraw/zinc/97/13/60/358971360.db2.gz NUVNSEYXCDPTPV-AXFHLTTASA-N 2 1 214.378 1.564 10 0 BDAEMP C[NH2+][C@@H]1CCC[N@H+]([C@H]2CCS[C@H]2C)C1 ZINC000300352635 358971364 /nfs/dbraw/zinc/97/13/64/358971364.db2.gz NUVNSEYXCDPTPV-AXFHLTTASA-N 2 1 214.378 1.564 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CCS[C@@H]2C)C[C@H]1[NH3+] ZINC000300352072 358971749 /nfs/dbraw/zinc/97/17/49/358971749.db2.gz HMAZSQDLLWSMTC-ZYUZMQFOSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CSC[C@H]2C)C[C@H]1[NH3+] ZINC000306191977 359019608 /nfs/dbraw/zinc/01/96/08/359019608.db2.gz PUGSWBZRHQSBHM-ZYUZMQFOSA-N 2 1 200.351 1.017 10 0 BDAEMP C[C@H]([C@H](C)[NH3+])[N@@H+]1CCSC(C)(C)C1 ZINC000306312511 359593148 /nfs/dbraw/zinc/59/31/48/359593148.db2.gz KUOLXSMOGGCWLM-DTWKUNHWSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@H]([C@H](C)[NH3+])[N@H+]1CCSC(C)(C)C1 ZINC000306312511 359593152 /nfs/dbraw/zinc/59/31/52/359593152.db2.gz KUOLXSMOGGCWLM-DTWKUNHWSA-N 2 1 202.367 1.550 10 0 BDAEMP O[C@]1([C@H]2C=CC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306344238 359662978 /nfs/dbraw/zinc/66/29/78/359662978.db2.gz CKWIOFQLDHMHFO-HUUCEWRRSA-N 2 1 244.338 1.151 10 0 BDAEMP O[C@@]1([C@H]2C=CC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306344234 359663186 /nfs/dbraw/zinc/66/31/86/359663186.db2.gz CKWIOFQLDHMHFO-CABCVRRESA-N 2 1 244.338 1.151 10 0 BDAEMP CNC(=[NH2+])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000306390173 359747178 /nfs/dbraw/zinc/74/71/78/359747178.db2.gz UWWSLFOXLSAKIM-UHFFFAOYSA-N 2 1 246.358 1.348 10 0 BDAEMP CC(C)[C@H]1C[N@@H+]([C@H](C)CN)CCCO1 ZINC000306469163 360084343 /nfs/dbraw/zinc/08/43/43/360084343.db2.gz OXYZFDSZLTTWGM-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H]1C[N@H+]([C@H](C)CN)CCCO1 ZINC000306469163 360084346 /nfs/dbraw/zinc/08/43/46/360084346.db2.gz OXYZFDSZLTTWGM-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H]1C[N@@H+]([C@H](C)C[NH3+])CCCO1 ZINC000306469163 360084347 /nfs/dbraw/zinc/08/43/47/360084347.db2.gz OXYZFDSZLTTWGM-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@H]1C[N@H+]([C@H](C)C[NH3+])CCCO1 ZINC000306469163 360084349 /nfs/dbraw/zinc/08/43/49/360084349.db2.gz OXYZFDSZLTTWGM-GHMZBOCLSA-N 2 1 200.326 1.081 10 0 BDAEMP CC[C@](C)([C@H](C)[NH3+])[N@H+]1CCSC[C@@H]1C ZINC000306602762 360529178 /nfs/dbraw/zinc/52/91/78/360529178.db2.gz WJHPXLCMENZPCW-GARJFASQSA-N 2 1 216.394 1.940 10 0 BDAEMP CC(C)[C@@H]1C[C@@](C[NH3+])([NH+](C)C)CCO1 ZINC000069892053 360950522 /nfs/dbraw/zinc/95/05/22/360950522.db2.gz HIYTUJOLAURXMP-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309813467 491157070 /nfs/dbraw/zinc/15/70/70/491157070.db2.gz UTSHNKRRTPXIKR-GHMZBOCLSA-N 2 1 219.332 1.976 10 0 BDAEMP C[NH2+]CCOCC[N@@H+](C)CC1CCC(C)CC1 ZINC000629652762 361551479 /nfs/dbraw/zinc/55/14/79/361551479.db2.gz DURXUPJQTVSJTE-UHFFFAOYSA-N 2 1 242.407 1.981 10 0 BDAEMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629653026 361551851 /nfs/dbraw/zinc/55/18/51/361551851.db2.gz FQNOOLWJCDRZHV-UPJWGTAASA-N 2 1 240.416 1.956 10 0 BDAEMP NC1=[NH+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2S1 ZINC000077098370 181339614 /nfs/dbraw/zinc/33/96/14/181339614.db2.gz ZDQQMIMTDGBXBH-NWDGAFQWSA-N 2 1 247.367 1.691 10 0 BDAEMP [NH3+]C1CC[NH+](CCc2ccccc2F)CC1 ZINC000019508112 181343763 /nfs/dbraw/zinc/34/37/63/181343763.db2.gz ODONNWDMWQPNJS-UHFFFAOYSA-N 2 1 222.307 1.791 10 0 BDAEMP CCCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630354783 364077859 /nfs/dbraw/zinc/07/78/59/364077859.db2.gz AYCMXHCWESRCDL-WDEREUQCSA-N 2 1 200.326 1.225 10 0 BDAEMP CO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)[C@@](C)(C[NH3+])C1 ZINC000630370336 364087093 /nfs/dbraw/zinc/08/70/93/364087093.db2.gz ZGPPRPCOVIKDLK-NOOOWODRSA-N 2 1 212.337 1.081 10 0 BDAEMP CO[C@@H]1C[N@@H+](CCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630369880 364087937 /nfs/dbraw/zinc/08/79/37/364087937.db2.gz XGHBHAXXZSOAJS-STQMWFEESA-N 2 1 226.364 1.615 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCC[C@H](O)C2)CCCCC1 ZINC000051257057 181359162 /nfs/dbraw/zinc/35/91/62/181359162.db2.gz DRKDDOSNLIKJFE-LBPRGKRZSA-N 2 1 226.364 1.352 10 0 BDAEMP Cc1cc[nH+]c(N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000630570963 364266422 /nfs/dbraw/zinc/26/64/22/364266422.db2.gz NLXVMHZPWSPTPR-GHMZBOCLSA-N 2 1 205.305 1.421 10 0 BDAEMP [NH3+]CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000034493264 181361875 /nfs/dbraw/zinc/36/18/75/181361875.db2.gz DFLLQKIVAMDWQA-YIONKMFJSA-N 2 1 246.354 1.503 10 0 BDAEMP [NH3+]CCC1CC[NH+](Cc2ncccn2)CC1 ZINC000054460300 181371544 /nfs/dbraw/zinc/37/15/44/181371544.db2.gz UYJZHKCUVBPECM-UHFFFAOYSA-N 2 1 220.320 1.037 10 0 BDAEMP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(N)=O)C1 ZINC000184074387 367063755 /nfs/dbraw/zinc/06/37/55/367063755.db2.gz QYBAAYOTQYPCMS-SNVBAGLBSA-N 2 1 248.330 1.077 10 0 BDAEMP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(N)=O)C1 ZINC000184074387 367063761 /nfs/dbraw/zinc/06/37/61/367063761.db2.gz QYBAAYOTQYPCMS-SNVBAGLBSA-N 2 1 248.330 1.077 10 0 BDAEMP C[C@@H]1CN([C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000383348031 367615614 /nfs/dbraw/zinc/61/56/14/367615614.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 2 1 239.407 1.386 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000383348031 367615619 /nfs/dbraw/zinc/61/56/19/367615619.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 2 1 239.407 1.386 10 0 BDAEMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000383348031 367615625 /nfs/dbraw/zinc/61/56/25/367615625.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 2 1 239.407 1.386 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566732240 326076951 /nfs/dbraw/zinc/07/69/51/326076951.db2.gz LIQXWTIHPMPEHH-MJBXVCDLSA-N 2 1 239.407 1.448 10 0 BDAEMP COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631836488 369078367 /nfs/dbraw/zinc/07/83/67/369078367.db2.gz ACHFLRCQCBYAOG-JQWIXIFHSA-N 2 1 235.331 1.117 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631836488 369078371 /nfs/dbraw/zinc/07/83/71/369078371.db2.gz ACHFLRCQCBYAOG-JQWIXIFHSA-N 2 1 235.331 1.117 10 0 BDAEMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000390495347 371207681 /nfs/dbraw/zinc/20/76/81/371207681.db2.gz RPEBYVOPWUULRM-UTUOFQBUSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@@H]1C[N@@H+](C[Si](C)(C)C)CC[C@H]1[NH3+] ZINC000401638611 371795695 /nfs/dbraw/zinc/79/56/95/371795695.db2.gz GODILJJHBWUOJY-NXEZZACHSA-N 2 1 200.402 1.533 10 0 BDAEMP CC1(C)C[N@H+](C2CC([NH3+])C2)CCS1 ZINC000133445336 372052264 /nfs/dbraw/zinc/05/22/64/372052264.db2.gz RPNRJSIGBTZILG-UHFFFAOYSA-N 2 1 200.351 1.304 10 0 BDAEMP Cc1cncc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631837127 372626569 /nfs/dbraw/zinc/62/65/69/372626569.db2.gz NCBNXNJQVQHGSW-YPMHNXCESA-N 2 1 219.332 1.417 10 0 BDAEMP COc1ccccc1[C@H]([NH3+])Cn1cc[nH+]c1C ZINC000038860309 372795265 /nfs/dbraw/zinc/79/52/65/372795265.db2.gz CGJUOFHEKORRGX-GFCCVEGCSA-N 2 1 231.299 1.900 10 0 BDAEMP CC(C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151268341 206063470 /nfs/dbraw/zinc/06/34/70/206063470.db2.gz FJKHTWHJHKEPAO-OLZOCXBDSA-N 2 1 228.380 1.467 10 0 BDAEMP OCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000132299443 183071277 /nfs/dbraw/zinc/07/12/77/183071277.db2.gz VEWIVVMRTWQIDC-OAHLLOKOSA-N 2 1 248.370 1.481 10 0 BDAEMP OCC[NH2+]CCC[NH2+]Cc1ccccc1Cl ZINC000013732701 183078111 /nfs/dbraw/zinc/07/81/11/183078111.db2.gz KLHAJPWCQHDWHU-UHFFFAOYSA-N 2 1 242.750 1.402 10 0 BDAEMP OC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1 ZINC000063001597 183139909 /nfs/dbraw/zinc/13/99/09/183139909.db2.gz AXBRMEVRFASYKI-HNNXBMFYSA-N 2 1 248.370 1.796 10 0 BDAEMP OC[C@H]1CC[NH2+]CC[N@@H+]1CC1CCCCC1 ZINC000067172120 183153148 /nfs/dbraw/zinc/15/31/48/183153148.db2.gz PDJVYAUURLPKAT-CYBMUJFWSA-N 2 1 226.364 1.223 10 0 BDAEMP OC[C@H]1CC[NH2+]CC[N@H+]1CC1CCCCC1 ZINC000067172120 183153149 /nfs/dbraw/zinc/15/31/49/183153149.db2.gz PDJVYAUURLPKAT-CYBMUJFWSA-N 2 1 226.364 1.223 10 0 BDAEMP O[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918192 183195460 /nfs/dbraw/zinc/19/54/60/183195460.db2.gz HPNCLUSDFDZWFN-XDQVBPFNSA-N 2 1 238.375 1.364 10 0 BDAEMP CCC[N@@H+](CCO)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C ZINC000053873848 169165143 /nfs/dbraw/zinc/16/51/43/169165143.db2.gz LQPNSSLFIRNCOX-RDBSUJKOSA-N 2 1 242.407 1.715 10 0 BDAEMP CCCN([C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000071314990 169180807 /nfs/dbraw/zinc/18/08/07/169180807.db2.gz ZQWHQGUVLKDTEG-UONOGXRCSA-N 2 1 237.391 1.297 10 0 BDAEMP CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C[C@@H]1C ZINC000073655931 169208389 /nfs/dbraw/zinc/20/83/89/169208389.db2.gz SQJDAGSKCKFRLK-STQMWFEESA-N 2 1 225.380 1.155 10 0 BDAEMP CCC[NH2+]CCCCC[N@H+]1CC[C@H](N(C)C)C1 ZINC000062971817 169257054 /nfs/dbraw/zinc/25/70/54/169257054.db2.gz MNTIBLYGCFRFDG-AWEZNQCLSA-N 2 1 241.423 1.792 10 0 BDAEMP CCC[NH2+]CCCCCN1CC[C@H]([NH+](C)C)C1 ZINC000062971817 169257057 /nfs/dbraw/zinc/25/70/57/169257057.db2.gz MNTIBLYGCFRFDG-AWEZNQCLSA-N 2 1 241.423 1.792 10 0 BDAEMP CCC[NH2+]CC[C@@H](C)N1CC[N@@H+](C)[C@H](CC)C1 ZINC000104126323 169260059 /nfs/dbraw/zinc/26/00/59/169260059.db2.gz OCFZTPMOBIBVQD-ZIAGYGMSSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+][C@H](C)[C@H](C)N1CC[N@@H+](C)[C@H](CC)C1 ZINC000104142887 169286413 /nfs/dbraw/zinc/28/64/13/169286413.db2.gz FSBOHFJUKGUFGL-HZSPNIEDSA-N 2 1 241.423 1.789 10 0 BDAEMP CCC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1CCC(N)=O ZINC000104429868 169286812 /nfs/dbraw/zinc/28/68/12/169286812.db2.gz IGXKETUWWHBZQL-VXGBXAGGSA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1CCC(N)=O ZINC000104429868 169286814 /nfs/dbraw/zinc/28/68/14/169286814.db2.gz IGXKETUWWHBZQL-VXGBXAGGSA-N 2 1 241.379 1.104 10 0 BDAEMP c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]23)nc1 ZINC000049567823 183394878 /nfs/dbraw/zinc/39/48/78/183394878.db2.gz TWPLDYSMDOECOQ-ZIAGYGMSSA-N 2 1 231.343 1.450 10 0 BDAEMP c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]23)nc1 ZINC000049567823 183394881 /nfs/dbraw/zinc/39/48/81/183394881.db2.gz TWPLDYSMDOECOQ-ZIAGYGMSSA-N 2 1 231.343 1.450 10 0 BDAEMP CCC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000037645099 169282052 /nfs/dbraw/zinc/28/20/52/169282052.db2.gz AJSRIUROGIGLSA-ZIAGYGMSSA-N 2 1 239.407 1.402 10 0 BDAEMP CCCO[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000042425459 169312526 /nfs/dbraw/zinc/31/25/26/169312526.db2.gz DKCFCZVJKZGUME-AWEZNQCLSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[NH2+][C@H]1CCC[C@@H]1C[N@H+]1CCCOCC1 ZINC000061934634 169291100 /nfs/dbraw/zinc/29/11/00/169291100.db2.gz XZLMBVVIEXCTFJ-KGLIPLIRSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[C@@H](C)N(C)[C@]1(C[NH3+])CC[N@H+](C2CC2)C1 ZINC000061990292 169366538 /nfs/dbraw/zinc/36/65/38/169366538.db2.gz IGHJHUWTPDLZRG-OCCSQVGLSA-N 2 1 239.407 1.672 10 0 BDAEMP CCC[C@@H](C)NC(=O)C[N@H+](CC)C[C@@H](C)C[NH3+] ZINC000042443266 169367192 /nfs/dbraw/zinc/36/71/92/169367192.db2.gz FMQQWKZGURGNIC-NWDGAFQWSA-N 2 1 243.395 1.208 10 0 BDAEMP CCC[C@@H](C)NC(=O)C[N@@H+](CC)C[C@@H](C)C[NH3+] ZINC000042443266 169367193 /nfs/dbraw/zinc/36/71/93/169367193.db2.gz FMQQWKZGURGNIC-NWDGAFQWSA-N 2 1 243.395 1.208 10 0 BDAEMP NC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035677112 383865861 /nfs/dbraw/zinc/86/58/61/383865861.db2.gz DACCINGOQFWAFJ-MRVPVSSYSA-N 2 1 205.088 1.952 10 0 BDAEMP CC[N@H+]([C@@H]1CCCC1=O)C1CC[NH2+]CC1 ZINC000050157748 383944622 /nfs/dbraw/zinc/94/46/22/383944622.db2.gz BGOUGMPNVDVGTO-LLVKDONJSA-N 2 1 210.321 1.182 10 0 BDAEMP CC[N@@H+]([C@@H]1CCCC1=O)C1CC[NH2+]CC1 ZINC000050157748 383944627 /nfs/dbraw/zinc/94/46/27/383944627.db2.gz BGOUGMPNVDVGTO-LLVKDONJSA-N 2 1 210.321 1.182 10 0 BDAEMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000095072280 384343415 /nfs/dbraw/zinc/34/34/15/384343415.db2.gz ZQDINQSIVZDTEE-RYUDHWBXSA-N 2 1 205.305 1.441 10 0 BDAEMP c1ccc(CCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086725117 384679235 /nfs/dbraw/zinc/67/92/35/384679235.db2.gz JGHXGMMRCLVAKN-ZDUSSCGKSA-N 2 1 204.317 1.571 10 0 BDAEMP Cn1cc([C@@H]2CC[N@@H+](CCn3ccnc3)C2)cn1 ZINC000163043828 384727430 /nfs/dbraw/zinc/72/74/30/384727430.db2.gz DYGJFTRQLKDTAA-GFCCVEGCSA-N 2 1 245.330 1.106 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]C[C@H]1CCSC1)C2 ZINC000376470374 384873122 /nfs/dbraw/zinc/87/31/22/384873122.db2.gz CBAVOUXWDFHGBB-MNOVXSKESA-N 2 1 237.372 1.541 10 0 BDAEMP CC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000119689942 384949581 /nfs/dbraw/zinc/94/95/81/384949581.db2.gz BOAMSQYSHLSEAW-CYBMUJFWSA-N 2 1 225.380 1.108 10 0 BDAEMP CC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000119689942 384949587 /nfs/dbraw/zinc/94/95/87/384949587.db2.gz BOAMSQYSHLSEAW-CYBMUJFWSA-N 2 1 225.380 1.108 10 0 BDAEMP Fc1ccccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000259022854 384954928 /nfs/dbraw/zinc/95/49/28/384954928.db2.gz YVBWZJDDUTYNRG-JTQLQIEISA-N 2 1 208.280 1.525 10 0 BDAEMP Cc1nc(NC[C@@H]2CCC[NH2+]2)c(C)c(C)[nH+]1 ZINC000257661611 384922164 /nfs/dbraw/zinc/92/21/64/384922164.db2.gz VBOFFZNTFCIQEC-NSHDSACASA-N 2 1 220.320 1.566 10 0 BDAEMP CC[NH+](CC)CCN1CCC[N@@H+](CC)CC1 ZINC000119659226 384925845 /nfs/dbraw/zinc/92/58/45/384925845.db2.gz AKSJGMYCYJXHQW-UHFFFAOYSA-N 2 1 227.396 1.356 10 0 BDAEMP COC1(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)CCCC1 ZINC000319036755 385063629 /nfs/dbraw/zinc/06/36/29/385063629.db2.gz KNYPIOMKSPEOPW-WDEREUQCSA-N 2 1 212.337 1.225 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCSC1)C2 ZINC000309087130 385411239 /nfs/dbraw/zinc/41/12/39/385411239.db2.gz ZBOXERQSEZEMFF-VHSXEESVSA-N 2 1 223.345 1.293 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC[N@@H+]1C ZINC000309145451 385438483 /nfs/dbraw/zinc/43/84/83/385438483.db2.gz VCFSNICJBHDXQK-RKDXNWHRSA-N 2 1 218.291 1.856 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC[N@H+]1C ZINC000309145451 385438484 /nfs/dbraw/zinc/43/84/84/385438484.db2.gz VCFSNICJBHDXQK-RKDXNWHRSA-N 2 1 218.291 1.856 10 0 BDAEMP [NH3+]C[C@]1(CC2CCCCC2)C[NH2+]CCO1 ZINC000211950148 385700915 /nfs/dbraw/zinc/70/09/15/385700915.db2.gz FDIJUIRMUVBBAW-GFCCVEGCSA-N 2 1 212.337 1.274 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+](C2CSC2)[C@@H]1C ZINC000575565183 386060746 /nfs/dbraw/zinc/06/07/46/386060746.db2.gz GFUHQETXYAVSIY-QXFUBDJGSA-N 2 1 200.351 1.159 10 0 BDAEMP Cc1cncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000310307151 386176531 /nfs/dbraw/zinc/17/65/31/386176531.db2.gz CXULSKYCEYRRKR-MJBXVCDLSA-N 2 1 231.343 1.559 10 0 BDAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336776849 386403553 /nfs/dbraw/zinc/40/35/53/386403553.db2.gz GUZLAWNCQCWRHF-QJPTWQEYSA-N 2 1 232.343 1.027 10 0 BDAEMP c1cn2c(n1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000062252217 386507529 /nfs/dbraw/zinc/50/75/29/386507529.db2.gz LOTVJZITHJBQCK-GFCCVEGCSA-N 2 1 234.347 1.088 10 0 BDAEMP c1cn2c(n1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000062252217 386507534 /nfs/dbraw/zinc/50/75/34/386507534.db2.gz LOTVJZITHJBQCK-GFCCVEGCSA-N 2 1 234.347 1.088 10 0 BDAEMP C[N@@H+](C[C@H](O)C(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000336721314 386455119 /nfs/dbraw/zinc/45/51/19/386455119.db2.gz XRKZAEXRZSVLCL-OLZOCXBDSA-N 2 1 242.407 1.667 10 0 BDAEMP C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336721314 386455122 /nfs/dbraw/zinc/45/51/22/386455122.db2.gz XRKZAEXRZSVLCL-OLZOCXBDSA-N 2 1 242.407 1.667 10 0 BDAEMP C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336721314 386455126 /nfs/dbraw/zinc/45/51/26/386455126.db2.gz XRKZAEXRZSVLCL-OLZOCXBDSA-N 2 1 242.407 1.667 10 0 BDAEMP Cc1ccoc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400559444 387071963 /nfs/dbraw/zinc/07/19/63/387071963.db2.gz HKCJJAFUDSFCOQ-GHMZBOCLSA-N 2 1 208.305 1.676 10 0 BDAEMP C[C@@H]1C[C@@H](C2CC[NH2+]CC2)C[C@@H](O)[N@H+]1C ZINC000536950649 387162144 /nfs/dbraw/zinc/16/21/44/387162144.db2.gz QNJMGHVWOFZSOG-YUSALJHKSA-N 2 1 212.337 1.035 10 0 BDAEMP CC(C)=CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300333134 387196299 /nfs/dbraw/zinc/19/62/99/387196299.db2.gz GNXSUPVZLJCDAJ-QWHCGFSZSA-N 2 1 224.348 1.405 10 0 BDAEMP CC(C)=CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300333134 387196303 /nfs/dbraw/zinc/19/63/03/387196303.db2.gz GNXSUPVZLJCDAJ-QWHCGFSZSA-N 2 1 224.348 1.405 10 0 BDAEMP C[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCS2)C1 ZINC000575523943 387457945 /nfs/dbraw/zinc/45/79/45/387457945.db2.gz ZRYHGSOSBPGGFU-UWVGGRQHSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCS2)C1 ZINC000575523943 387457947 /nfs/dbraw/zinc/45/79/47/387457947.db2.gz ZRYHGSOSBPGGFU-UWVGGRQHSA-N 2 1 200.351 1.033 10 0 BDAEMP C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000643454658 387385684 /nfs/dbraw/zinc/38/56/84/387385684.db2.gz LDXCZWQCGPSSJG-AVGNSLFASA-N 2 1 237.391 1.201 10 0 BDAEMP C[C@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000643454658 387385690 /nfs/dbraw/zinc/38/56/90/387385690.db2.gz LDXCZWQCGPSSJG-AVGNSLFASA-N 2 1 237.391 1.201 10 0 BDAEMP [NH3+][C@H]1CCC[C@@H]1C[N@H+]1CCCSCC1 ZINC000053879804 387521442 /nfs/dbraw/zinc/52/14/42/387521442.db2.gz DRUFWMVZHWGVDP-MNOVXSKESA-N 2 1 214.378 1.553 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](C2CSC2)C[C@H]1C ZINC000575565089 387722811 /nfs/dbraw/zinc/72/28/11/387722811.db2.gz CLGLAHHNBGDJPS-PSASIEDQSA-N 2 1 200.351 1.032 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](C2CSC2)C[C@H]1C ZINC000575565089 387722822 /nfs/dbraw/zinc/72/28/22/387722822.db2.gz CLGLAHHNBGDJPS-PSASIEDQSA-N 2 1 200.351 1.032 10 0 BDAEMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000422839623 387729083 /nfs/dbraw/zinc/72/90/83/387729083.db2.gz QWVWDGJRQDMABL-MELADBBJSA-N 3 1 239.407 1.591 10 0 BDAEMP Cc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)o1 ZINC000422968578 387818622 /nfs/dbraw/zinc/81/86/22/387818622.db2.gz XDMHLELQKSRASV-ZJUUUORDSA-N 2 1 208.305 1.847 10 0 BDAEMP [NH3+][C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575508943 389003334 /nfs/dbraw/zinc/00/33/34/389003334.db2.gz RFZLCEGVIAEDEG-KBPBESRZSA-N 2 1 232.327 1.379 10 0 BDAEMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400390048 533393711 /nfs/dbraw/zinc/39/37/11/533393711.db2.gz ZLBPLWQDNQZXDC-KGLIPLIRSA-N 2 1 239.407 1.306 10 0 BDAEMP Cc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000070178357 132230459 /nfs/dbraw/zinc/23/04/59/132230459.db2.gz CBTHQLFKKDOPOO-CABZTGNLSA-N 2 1 234.347 1.657 10 0 BDAEMP CCCc1cc(N2CCC(C[NH3+])CC2)nc(C)[nH+]1 ZINC000045954875 132299222 /nfs/dbraw/zinc/29/92/22/132299222.db2.gz CIDZSNNHLFHIOX-UHFFFAOYSA-N 2 1 248.374 1.913 10 0 BDAEMP NC(=[NH2+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000019432321 132324799 /nfs/dbraw/zinc/32/47/99/132324799.db2.gz DZFVJEAPBLZPMT-UHFFFAOYSA-N 2 1 232.331 1.135 10 0 BDAEMP C[NH2+]C1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000043561262 132353365 /nfs/dbraw/zinc/35/33/65/132353365.db2.gz CNSOERCBDOSGNT-UHFFFAOYSA-N 2 1 205.305 1.578 10 0 BDAEMP CC(C)[NH2+]CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220878052 134316601 /nfs/dbraw/zinc/31/66/01/134316601.db2.gz MRARUHCXXPXOHV-UONOGXRCSA-N 2 1 239.407 1.401 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000250614806 135056523 /nfs/dbraw/zinc/05/65/23/135056523.db2.gz IGLRCYNAQNZXFJ-JHJVBQTASA-N 2 1 226.364 1.485 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000250614806 135056525 /nfs/dbraw/zinc/05/65/25/135056525.db2.gz IGLRCYNAQNZXFJ-JHJVBQTASA-N 2 1 226.364 1.485 10 0 BDAEMP Cc1cccc(N[C@H]2CC[C@@H](C[NH3+])C2)[nH+]1 ZINC000257666494 135138075 /nfs/dbraw/zinc/13/80/75/135138075.db2.gz ZFFMABKYAPAYGZ-MNOVXSKESA-N 2 1 205.305 1.929 10 0 BDAEMP Cc1cc[nH+]c(N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000257658237 135138157 /nfs/dbraw/zinc/13/81/57/135138157.db2.gz RKGIVZBVGWTQLW-GHMZBOCLSA-N 2 1 205.305 1.929 10 0 BDAEMP CC1(C)C[N@H+](CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000261534817 135167712 /nfs/dbraw/zinc/16/77/12/135167712.db2.gz NBSQIOPHMFCLMO-MRVPVSSYSA-N 2 1 224.270 1.998 10 0 BDAEMP CC1(C)C[N@@H+](CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000261534817 135167714 /nfs/dbraw/zinc/16/77/14/135167714.db2.gz NBSQIOPHMFCLMO-MRVPVSSYSA-N 2 1 224.270 1.998 10 0 BDAEMP CCc1cc(NCC[C@H](C)[NH3+])nc(C)[nH+]1 ZINC000084082138 135182915 /nfs/dbraw/zinc/18/29/15/135182915.db2.gz WIHBUCVUONDAIA-QMMMGPOBSA-N 2 1 208.309 1.497 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261542612 135183229 /nfs/dbraw/zinc/18/32/29/135183229.db2.gz GZALXOLSBZZAQO-GRYCIOLGSA-N 2 1 212.337 1.095 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261542612 135183230 /nfs/dbraw/zinc/18/32/30/135183230.db2.gz GZALXOLSBZZAQO-GRYCIOLGSA-N 2 1 212.337 1.095 10 0 BDAEMP C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H]1CCC[NH2+]C1 ZINC000261542613 135183276 /nfs/dbraw/zinc/18/32/76/135183276.db2.gz GZALXOLSBZZAQO-IJLUTSLNSA-N 2 1 212.337 1.095 10 0 BDAEMP Cc1cnn(CC[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261555279 135195294 /nfs/dbraw/zinc/19/52/94/135195294.db2.gz PSALJNNXRTZPFT-LBPRGKRZSA-N 2 1 236.363 1.251 10 0 BDAEMP CCc1nc(N2CC[C@@H]([NH3+])C(C)(C)C2)cc(C)[nH+]1 ZINC000261578399 135218870 /nfs/dbraw/zinc/21/88/70/135218870.db2.gz OXCUTZPXSFJQAK-LLVKDONJSA-N 2 1 248.374 1.911 10 0 BDAEMP CC(C)[C@@H]([NH3+])CNc1[nH+]c2ccccc2n1C ZINC000079048781 135396164 /nfs/dbraw/zinc/39/61/64/135396164.db2.gz QUHSKPOMWOQYPP-JTQLQIEISA-N 2 1 232.331 1.969 10 0 BDAEMP C[C@@H](O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000166116668 136074341 /nfs/dbraw/zinc/07/43/41/136074341.db2.gz SETXOWGPMPTXDC-CHWSQXEVSA-N 2 1 226.364 1.175 10 0 BDAEMP CCc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000382508328 397955152 /nfs/dbraw/zinc/95/51/52/397955152.db2.gz NMCXTBDFUHOGBA-CMPLNLGQSA-N 2 1 234.347 1.887 10 0 BDAEMP CC(C)C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)N(C)C ZINC000128922057 398098112 /nfs/dbraw/zinc/09/81/12/398098112.db2.gz YKSBFQYETXTMBS-UONOGXRCSA-N 2 1 241.423 1.694 10 0 BDAEMP CO[C@@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266532 409567083 /nfs/dbraw/zinc/56/70/83/409567083.db2.gz IDGPJHNQIJZBLF-KBPBESRZSA-N 2 1 240.391 1.875 10 0 BDAEMP Cc1cc(N(C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000212405273 410270111 /nfs/dbraw/zinc/27/01/11/410270111.db2.gz BVCNAWIDUYONQF-UHFFFAOYSA-N 2 1 220.320 1.282 10 0 BDAEMP Cc1cc(N[C@@H](CC[NH3+])C(F)F)nc(C)[nH+]1 ZINC000394776164 410822296 /nfs/dbraw/zinc/82/22/96/410822296.db2.gz HUXNNDQFCPSECH-QMMMGPOBSA-N 2 1 230.262 1.488 10 0 BDAEMP CC(C)C[NH2+]C[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000053031280 167007207 /nfs/dbraw/zinc/00/72/07/167007207.db2.gz ABWHYHXEDWWIEG-ZDUSSCGKSA-N 2 1 240.391 1.733 10 0 BDAEMP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)C2CC2)O1 ZINC000052445587 167008171 /nfs/dbraw/zinc/00/81/71/167008171.db2.gz VEUPOYYPVVJXHX-KGLIPLIRSA-N 2 1 240.391 1.874 10 0 BDAEMP CC(C)NC(=O)C[N@@H+](CCC[NH3+])C1CCCC1 ZINC000034960476 167051862 /nfs/dbraw/zinc/05/18/62/167051862.db2.gz CZDUOPDFPMLZRJ-UHFFFAOYSA-N 2 1 241.379 1.104 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CCN(CC[N@@H+](C)C(C)C)C1 ZINC000054127389 167113636 /nfs/dbraw/zinc/11/36/36/167113636.db2.gz FRNYQCMICCTDSS-AWEZNQCLSA-N 2 1 241.423 1.647 10 0 BDAEMP CC(C)OCC[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000062571852 167230883 /nfs/dbraw/zinc/23/08/83/167230883.db2.gz RNNUZZPYVJFDSF-UHFFFAOYSA-N 2 1 214.353 1.485 10 0 BDAEMP CC(C)OCC[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000062571852 167230888 /nfs/dbraw/zinc/23/08/88/167230888.db2.gz RNNUZZPYVJFDSF-UHFFFAOYSA-N 2 1 214.353 1.485 10 0 BDAEMP CC(C)[C@@H](C[NH+](C)C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000054243587 167394773 /nfs/dbraw/zinc/39/47/73/167394773.db2.gz JEECUTQFMMOFFM-UONOGXRCSA-N 2 1 241.423 1.504 10 0 BDAEMP CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054243587 167394774 /nfs/dbraw/zinc/39/47/74/167394774.db2.gz JEECUTQFMMOFFM-UONOGXRCSA-N 2 1 241.423 1.504 10 0 BDAEMP CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054243587 167394777 /nfs/dbraw/zinc/39/47/77/167394777.db2.gz JEECUTQFMMOFFM-UONOGXRCSA-N 2 1 241.423 1.504 10 0 BDAEMP CC(C)[C@@H](CNC[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000054240291 167398616 /nfs/dbraw/zinc/39/86/16/167398616.db2.gz KCZFIPFRVMPFHJ-UONOGXRCSA-N 2 1 241.423 1.647 10 0 BDAEMP CC(C)[C@@H](CNC[C@@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000054240291 167398617 /nfs/dbraw/zinc/39/86/17/167398617.db2.gz KCZFIPFRVMPFHJ-UONOGXRCSA-N 2 1 241.423 1.647 10 0 BDAEMP CN(CC(C)(C)[NH3+])c1cc[nH+]cc1Cl ZINC000656609611 411308559 /nfs/dbraw/zinc/30/85/59/411308559.db2.gz RFNFGVFWYSMENM-UHFFFAOYSA-N 2 1 213.712 1.909 10 0 BDAEMP C[C@@H]([NH3+])CNc1[nH+]c2ccccc2n1C ZINC000070609146 411415191 /nfs/dbraw/zinc/41/51/91/411415191.db2.gz BBQQWWLLKQHKEX-MRVPVSSYSA-N 2 1 204.277 1.332 10 0 BDAEMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000052172165 170007713 /nfs/dbraw/zinc/00/77/13/170007713.db2.gz NLVKNCWMLUWKHA-ZDUSSCGKSA-N 2 1 226.364 1.344 10 0 BDAEMP CC[NH2+]CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000053249820 170112274 /nfs/dbraw/zinc/11/22/74/170112274.db2.gz AUYMNOBUPIRGCX-UONOGXRCSA-N 2 1 241.423 1.791 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](CC)CCOC)O1 ZINC000052542779 170120453 /nfs/dbraw/zinc/12/04/53/170120453.db2.gz RVTOYABDGNKDME-STQMWFEESA-N 2 1 244.379 1.112 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(C)n2)C1 ZINC000053034890 170120482 /nfs/dbraw/zinc/12/04/82/170120482.db2.gz KGJBOODEFONKSS-ZDUSSCGKSA-N 2 1 233.359 1.821 10 0 BDAEMP CC[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000053034890 170120483 /nfs/dbraw/zinc/12/04/83/170120483.db2.gz KGJBOODEFONKSS-ZDUSSCGKSA-N 2 1 233.359 1.821 10 0 BDAEMP CC[NH2+]C[C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000053031551 170122493 /nfs/dbraw/zinc/12/24/93/170122493.db2.gz YISYBFAIBZHMCQ-CHWSQXEVSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[NH2+]C[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000053695807 170122683 /nfs/dbraw/zinc/12/26/83/170122683.db2.gz OCDUIWNIHXEQPP-CYBMUJFWSA-N 2 1 248.374 1.919 10 0 BDAEMP CC[NH2+]C[C@]1(C[N@@H+](C)[C@@H](C)C2CC2)CCOC1 ZINC000051217588 170123251 /nfs/dbraw/zinc/12/32/51/170123251.db2.gz JULVUHRVYXVJPQ-JSGCOSHPSA-N 2 1 240.391 1.733 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1CCOC(C)(C)C1 ZINC000053868239 170151721 /nfs/dbraw/zinc/15/17/21/170151721.db2.gz WPHGTBHOSBYXEQ-QWHCGFSZSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+]1CCOC(C)(C)C1 ZINC000053868239 170151722 /nfs/dbraw/zinc/15/17/22/170151722.db2.gz WPHGTBHOSBYXEQ-QWHCGFSZSA-N 2 1 240.391 1.875 10 0 BDAEMP CCN[C@@](C)(Cn1c[nH+]c(C)c1C)C(=O)OC ZINC000051928183 170154954 /nfs/dbraw/zinc/15/49/54/170154954.db2.gz WURZOZFOZGHKFY-LBPRGKRZSA-N 2 1 239.319 1.041 10 0 BDAEMP CC[NH2+][C@H]1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000049711410 170167317 /nfs/dbraw/zinc/16/73/17/170167317.db2.gz NMUVROYJCUSVBO-AAEUAGOBSA-N 2 1 226.364 1.485 10 0 BDAEMP CCOC1CC[NH+]([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000040689310 170332265 /nfs/dbraw/zinc/33/22/65/170332265.db2.gz VHXCRSYSYGZXKK-VXGBXAGGSA-N 2 1 212.337 1.367 10 0 BDAEMP C[N@@H+](Cc1ccc(N)nc1)C[C@H]1CC[NH+](C)C1 ZINC000071191100 411610544 /nfs/dbraw/zinc/61/05/44/411610544.db2.gz JZCIQZMCEQIFCN-LBPRGKRZSA-N 2 1 234.347 1.047 10 0 BDAEMP C[N@H+](Cc1ccc(N)nc1)C[C@H]1CC[NH+](C)C1 ZINC000071191100 411610545 /nfs/dbraw/zinc/61/05/45/411610545.db2.gz JZCIQZMCEQIFCN-LBPRGKRZSA-N 2 1 234.347 1.047 10 0 BDAEMP C[NH+](Cc1ccc(N)nc1)C[C@H]1CC[N@H+](C)C1 ZINC000071191100 411610546 /nfs/dbraw/zinc/61/05/46/411610546.db2.gz JZCIQZMCEQIFCN-LBPRGKRZSA-N 2 1 234.347 1.047 10 0 BDAEMP C[NH+](Cc1ccc(N)nc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071191100 411610548 /nfs/dbraw/zinc/61/05/48/411610548.db2.gz JZCIQZMCEQIFCN-LBPRGKRZSA-N 2 1 234.347 1.047 10 0 BDAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+]2CCOC[C@@H]2C)C1 ZINC000035773990 171055689 /nfs/dbraw/zinc/05/56/89/171055689.db2.gz INMUDLUUCMYQBY-REWJHTLYSA-N 2 1 240.391 1.861 10 0 BDAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](CCO)C2CC2)C1 ZINC000042478777 171056500 /nfs/dbraw/zinc/05/65/00/171056500.db2.gz UIMYNXJQLSBDAO-YRGRVCCFSA-N 2 1 240.391 1.597 10 0 BDAEMP CC[C@@H]1CN(C(=[NH2+])NC2CCCC2)CC[N@@H+]1C ZINC000104348336 171060520 /nfs/dbraw/zinc/06/05/20/171060520.db2.gz KHDQARKRYCYPBZ-GFCCVEGCSA-N 2 1 238.379 1.479 10 0 BDAEMP CC[C@@H]1CN(C(=[NH2+])NC2CCCC2)CC[N@H+]1C ZINC000104348336 171060523 /nfs/dbraw/zinc/06/05/23/171060523.db2.gz KHDQARKRYCYPBZ-GFCCVEGCSA-N 2 1 238.379 1.479 10 0 BDAEMP CC[C@H](C)[C@@H](C[NH3+])[N@@H+]1CCCOCC1 ZINC000061916423 171368529 /nfs/dbraw/zinc/36/85/29/171368529.db2.gz PRMYJDOBCICDGT-WDEREUQCSA-N 2 1 200.326 1.082 10 0 BDAEMP CC[C@H](C)[C@@H](C[NH3+])[N@H+]1CCCOCC1 ZINC000061916423 171368531 /nfs/dbraw/zinc/36/85/31/171368531.db2.gz PRMYJDOBCICDGT-WDEREUQCSA-N 2 1 200.326 1.082 10 0 BDAEMP C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000665236914 412176325 /nfs/dbraw/zinc/17/63/25/412176325.db2.gz WHVFBWJWBNQOHF-YNEHKIRRSA-N 2 1 239.407 1.447 10 0 BDAEMP [NH3+]CCNc1cc[nH+]c(NC2CCCCC2)n1 ZINC000409430384 412299556 /nfs/dbraw/zinc/29/95/56/412299556.db2.gz VMBPOHFZWTUVIT-UHFFFAOYSA-N 2 1 235.335 1.592 10 0 BDAEMP CCc1[nH+]ccn1Cc1cc(C[NH3+])oc1C ZINC000052593053 172027067 /nfs/dbraw/zinc/02/70/67/172027067.db2.gz LSDXVBOHJZLBHG-UHFFFAOYSA-N 2 1 219.288 1.854 10 0 BDAEMP CCn1cc[nH+]c1N1CCC(CC[NH3+])CC1 ZINC000053705805 172225722 /nfs/dbraw/zinc/22/57/22/172225722.db2.gz OUWXGAJHGRDTMW-UHFFFAOYSA-N 2 1 222.336 1.468 10 0 BDAEMP C[N@H+]1CCCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000020217731 173015131 /nfs/dbraw/zinc/01/51/31/173015131.db2.gz VYYBTABYHLUSDX-UHFFFAOYSA-N 2 1 239.407 1.676 10 0 BDAEMP C[N@H+]1CCC[C@H](CN2CCC[NH2+]CCC2)C1 ZINC000044538727 173041022 /nfs/dbraw/zinc/04/10/22/173041022.db2.gz JRXOSPUZOPCVAM-ZDUSSCGKSA-N 2 1 225.380 1.014 10 0 BDAEMP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccn1 ZINC000082382483 173041279 /nfs/dbraw/zinc/04/12/79/173041279.db2.gz WZXAKSOXRWDMTK-PWSUYJOCSA-N 2 1 205.305 1.423 10 0 BDAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccn1 ZINC000082382483 173041280 /nfs/dbraw/zinc/04/12/80/173041280.db2.gz WZXAKSOXRWDMTK-PWSUYJOCSA-N 2 1 205.305 1.423 10 0 BDAEMP C[NH+]1CCCC[C@H]1CNC[C@H]1CCC[N@H+](C)C1 ZINC000054243710 173041935 /nfs/dbraw/zinc/04/19/35/173041935.db2.gz CGKWHDWBMNGGMF-KGLIPLIRSA-N 2 1 239.407 1.402 10 0 BDAEMP C[NH+]1CCC[C@H](CNC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000054243710 173041938 /nfs/dbraw/zinc/04/19/38/173041938.db2.gz CGKWHDWBMNGGMF-KGLIPLIRSA-N 2 1 239.407 1.402 10 0 BDAEMP C[NH+]1CCC[C@H](CNC[C@@H]2CCCC[N@H+]2C)C1 ZINC000054243710 173041940 /nfs/dbraw/zinc/04/19/40/173041940.db2.gz CGKWHDWBMNGGMF-KGLIPLIRSA-N 2 1 239.407 1.402 10 0 BDAEMP CN1CCCC[C@H]1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243710 173041942 /nfs/dbraw/zinc/04/19/42/173041942.db2.gz CGKWHDWBMNGGMF-KGLIPLIRSA-N 2 1 239.407 1.402 10 0 BDAEMP CN1CCCC[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243710 173041943 /nfs/dbraw/zinc/04/19/43/173041943.db2.gz CGKWHDWBMNGGMF-KGLIPLIRSA-N 2 1 239.407 1.402 10 0 BDAEMP C[N@@H+]1CCC[C@H](CNc2ccc(N)[nH+]c2)C1 ZINC000044535359 173042750 /nfs/dbraw/zinc/04/27/50/173042750.db2.gz DOFQWAAFSHPQCA-SNVBAGLBSA-N 2 1 220.320 1.418 10 0 BDAEMP C[N@H+]1CCC[C@H](CNc2ccc(N)[nH+]c2)C1 ZINC000044535359 173042751 /nfs/dbraw/zinc/04/27/51/173042751.db2.gz DOFQWAAFSHPQCA-SNVBAGLBSA-N 2 1 220.320 1.418 10 0 BDAEMP CN(c1ccnc(C[NH3+])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000053249212 173044638 /nfs/dbraw/zinc/04/46/38/173044638.db2.gz DDQDCYBPOLCTDQ-ZDUSSCGKSA-N 2 1 234.347 1.071 10 0 BDAEMP C[NH+]1CCN(C[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000053861671 173085194 /nfs/dbraw/zinc/08/51/94/173085194.db2.gz ULIGJCBISDVBBF-CHWSQXEVSA-N 2 1 225.380 1.141 10 0 BDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C(C)(C)[NH3+])C1 ZINC000096963459 173087235 /nfs/dbraw/zinc/08/72/35/173087235.db2.gz PNQDELXWKOGSKG-AWEZNQCLSA-N 2 1 247.386 1.540 10 0 BDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](C(C)(C)[NH3+])C1 ZINC000096963459 173087239 /nfs/dbraw/zinc/08/72/39/173087239.db2.gz PNQDELXWKOGSKG-AWEZNQCLSA-N 2 1 247.386 1.540 10 0 BDAEMP C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000019282954 173093042 /nfs/dbraw/zinc/09/30/42/173093042.db2.gz ISSNWVYZSNEIAU-ZDUSSCGKSA-N 2 1 237.322 1.073 10 0 BDAEMP CN(Cc1cccc(O)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000156019806 173111709 /nfs/dbraw/zinc/11/17/09/173111709.db2.gz JYLRGWZQWNELMO-CYBMUJFWSA-N 2 1 234.343 1.776 10 0 BDAEMP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CC[NH+](C)C1 ZINC000156019806 173111711 /nfs/dbraw/zinc/11/17/11/173111711.db2.gz JYLRGWZQWNELMO-CYBMUJFWSA-N 2 1 234.343 1.776 10 0 BDAEMP C[N@H+](Cc1cccc(O)c1)C[C@@H]1CC[NH+](C)C1 ZINC000156019806 173111713 /nfs/dbraw/zinc/11/17/13/173111713.db2.gz JYLRGWZQWNELMO-CYBMUJFWSA-N 2 1 234.343 1.776 10 0 BDAEMP C[NH+](Cc1cccc(O)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000156019806 173111715 /nfs/dbraw/zinc/11/17/15/173111715.db2.gz JYLRGWZQWNELMO-CYBMUJFWSA-N 2 1 234.343 1.776 10 0 BDAEMP C[NH+](Cc1cccc(O)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000156019806 173111717 /nfs/dbraw/zinc/11/17/17/173111717.db2.gz JYLRGWZQWNELMO-CYBMUJFWSA-N 2 1 234.343 1.776 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000037485049 173115724 /nfs/dbraw/zinc/11/57/24/173115724.db2.gz BUMDEJUMPGGHFY-RYUDHWBXSA-N 2 1 212.337 1.097 10 0 BDAEMP C[N@H+]1CC[C@@](C[NH3+])(N2CCC(C)(C)CC2)C1 ZINC000061990820 173136752 /nfs/dbraw/zinc/13/67/52/173136752.db2.gz LJOVPSMUWABSLN-ZDUSSCGKSA-N 2 1 225.380 1.141 10 0 BDAEMP CN(Cc1cccs1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990243 173162942 /nfs/dbraw/zinc/16/29/42/173162942.db2.gz WBLOBCMMUUQMQT-GFCCVEGCSA-N 2 1 239.388 1.213 10 0 BDAEMP CN(Cc1cccs1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990243 173162944 /nfs/dbraw/zinc/16/29/44/173162944.db2.gz WBLOBCMMUUQMQT-GFCCVEGCSA-N 2 1 239.388 1.213 10 0 BDAEMP C[NH2+]C1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000044537335 173323101 /nfs/dbraw/zinc/32/31/01/173323101.db2.gz YHBLXXQVNRXMFF-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cccn1 ZINC000054629787 173323637 /nfs/dbraw/zinc/32/36/37/173323637.db2.gz YVTDGJZUYDHMKR-YHWZYXNKSA-N 2 1 234.347 1.098 10 0 BDAEMP C[NH2+]CCCCC[N@@H+](CCN(C)C)CC(C)C ZINC000052503375 173345153 /nfs/dbraw/zinc/34/51/53/173345153.db2.gz VBUVOGJVHDCEQH-UHFFFAOYSA-N 2 1 243.439 1.896 10 0 BDAEMP C[NH2+]CCC[NH2+]Cc1cnn2ccccc12 ZINC000083349474 173349807 /nfs/dbraw/zinc/34/98/07/173349807.db2.gz QTBLKZIQWZSTIL-UHFFFAOYSA-N 2 1 218.304 1.033 10 0 BDAEMP C[NH2+]CCC[C@H](C)[NH+]1CCN(CC(C)C)CC1 ZINC000055082909 173350392 /nfs/dbraw/zinc/35/03/92/173350392.db2.gz KUEDQGVGRSJYTO-AWEZNQCLSA-N 2 1 241.423 1.648 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000050158860 173367749 /nfs/dbraw/zinc/36/77/49/173367749.db2.gz FGPZICCCTVLETR-NWDGAFQWSA-N 2 1 224.348 1.430 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCCCC2=O)C1 ZINC000050158860 173367750 /nfs/dbraw/zinc/36/77/50/173367750.db2.gz FGPZICCCTVLETR-NWDGAFQWSA-N 2 1 224.348 1.430 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCSC2)C1 ZINC000040591901 173368288 /nfs/dbraw/zinc/36/82/88/173368288.db2.gz GZRAJPODPKZBQG-WDEREUQCSA-N 2 1 214.378 1.423 10 0 BDAEMP C[NH2+]C[C@@]1(C[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC000051208967 173373219 /nfs/dbraw/zinc/37/32/19/173373219.db2.gz LSXUNTDTXZYXOC-QWHCGFSZSA-N 2 1 226.364 1.487 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000061590670 173378445 /nfs/dbraw/zinc/37/84/45/173378445.db2.gz XGNXFVYCFJJRRS-VXGBXAGGSA-N 2 1 228.405 1.813 10 0 BDAEMP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000051212130 173384238 /nfs/dbraw/zinc/38/42/38/173384238.db2.gz MLXGSLUKVVWEAN-HNNXBMFYSA-N 2 1 248.370 1.745 10 0 BDAEMP C[NH2+]Cc1cc(C[N@H+]2CCC[C@H](C)C2)on1 ZINC000052381333 173387496 /nfs/dbraw/zinc/38/74/96/173387496.db2.gz ZSTAZFXUNAVHCC-JTQLQIEISA-N 2 1 223.320 1.626 10 0 BDAEMP C[NH2+]Cc1coc(Cn2cc[nH+]c2C)c1 ZINC000052576136 173393133 /nfs/dbraw/zinc/39/31/33/173393133.db2.gz UDGQFZHCGJUTEQ-UHFFFAOYSA-N 2 1 205.261 1.552 10 0 BDAEMP C[NH2+]Cc1nc(Cn2cc[nH+]c2C)cs1 ZINC000052576267 173395348 /nfs/dbraw/zinc/39/53/48/173395348.db2.gz VOMFRRYYAWBRHW-UHFFFAOYSA-N 2 1 222.317 1.416 10 0 BDAEMP COCC[N@H+](C[C@](C)([NH3+])C1CC1)[C@@H](C)COC ZINC000042610817 174296887 /nfs/dbraw/zinc/29/68/87/174296887.db2.gz SXLZNHRCGVXDKA-AAEUAGOBSA-N 2 1 244.379 1.097 10 0 BDAEMP COCC[N@@H+](C[C@](C)([NH3+])C1CC1)[C@@H](C)COC ZINC000042610817 174296889 /nfs/dbraw/zinc/29/68/89/174296889.db2.gz SXLZNHRCGVXDKA-AAEUAGOBSA-N 2 1 244.379 1.097 10 0 BDAEMP COCC[N@@H+]1CCC[NH2+][C@@H](CC(C)C)C1 ZINC000062571856 174306742 /nfs/dbraw/zinc/30/67/42/174306742.db2.gz VMYQLSZZNHBOIP-LBPRGKRZSA-N 2 1 214.353 1.343 10 0 BDAEMP COCC[N@H+]1CCC[NH2+][C@@H](CC(C)C)C1 ZINC000062571856 174306743 /nfs/dbraw/zinc/30/67/43/174306743.db2.gz VMYQLSZZNHBOIP-LBPRGKRZSA-N 2 1 214.353 1.343 10 0 BDAEMP COc1ccc(OC)c([C@H](CC[NH3+])[NH+](C)C)c1 ZINC000019673463 175169147 /nfs/dbraw/zinc/16/91/47/175169147.db2.gz HQOWFAIGJAXWRX-LBPRGKRZSA-N 2 1 238.331 1.655 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225813649 487630176 /nfs/dbraw/zinc/63/01/76/487630176.db2.gz WSHWEQFWTSBIMI-NWDGAFQWSA-N 2 1 243.395 1.206 10 0 BDAEMP C[C@@H](CC[NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000049818713 175672364 /nfs/dbraw/zinc/67/23/64/175672364.db2.gz FXQLJFYKMPIGAD-LBPRGKRZSA-N 2 1 221.348 1.541 10 0 BDAEMP C[C@@H](c1cnn(C)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000084494223 176037384 /nfs/dbraw/zinc/03/73/84/176037384.db2.gz DLAIFLXDJGYWGE-WDEREUQCSA-N 2 1 222.336 1.152 10 0 BDAEMP C[C@@H]1CCC[N@@H+](CCC[C@](C)([NH3+])C(N)=O)CC1 ZINC000104353533 176098274 /nfs/dbraw/zinc/09/82/74/176098274.db2.gz UOQPDAZVHUOVOP-YPMHNXCESA-N 2 1 241.379 1.091 10 0 BDAEMP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@@H+](C)CC2)C1 ZINC000020217715 176151634 /nfs/dbraw/zinc/15/16/34/176151634.db2.gz JZHFXBGRKQLENN-KGLIPLIRSA-N 2 1 239.407 1.532 10 0 BDAEMP C[C@@H]1CC[NH+](C2CCN(C)CC2)CC[C@@H](C)[NH2+]1 ZINC000049665938 176167053 /nfs/dbraw/zinc/16/70/53/176167053.db2.gz WBBUZQMNIMVBKX-CHWSQXEVSA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@@H]1CC[N@@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000049666851 176170861 /nfs/dbraw/zinc/17/08/61/176170861.db2.gz MORFCMNRWXSMMW-CYBMUJFWSA-N 2 1 233.359 1.698 10 0 BDAEMP C[C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)CC[C@@H](C)[NH2+]1 ZINC000049666489 176172297 /nfs/dbraw/zinc/17/22/97/176172297.db2.gz YVNDRGGKJHXZKU-MGPQQGTHSA-N 2 1 239.407 1.401 10 0 BDAEMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](C)C2)CC[C@@H](C)[NH2+]1 ZINC000049666489 176172299 /nfs/dbraw/zinc/17/22/99/176172299.db2.gz YVNDRGGKJHXZKU-MGPQQGTHSA-N 3 1 239.407 1.401 10 0 BDAEMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)CC[C@@H](C)[NH2+]1 ZINC000049666489 176172301 /nfs/dbraw/zinc/17/23/01/176172301.db2.gz YVNDRGGKJHXZKU-MGPQQGTHSA-N 3 1 239.407 1.401 10 0 BDAEMP C[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000044390370 176180526 /nfs/dbraw/zinc/18/05/26/176180526.db2.gz KDNDZFXVDWMCML-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000044390370 176180527 /nfs/dbraw/zinc/18/05/27/176180527.db2.gz KDNDZFXVDWMCML-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000044390370 176180528 /nfs/dbraw/zinc/18/05/28/176180528.db2.gz KDNDZFXVDWMCML-CHWSQXEVSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000336696204 176289451 /nfs/dbraw/zinc/28/94/51/176289451.db2.gz ARCCHKSBJRZCMA-HIFRSBDPSA-N 2 1 248.370 1.872 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000336696204 176289452 /nfs/dbraw/zinc/28/94/52/176289452.db2.gz ARCCHKSBJRZCMA-HIFRSBDPSA-N 2 1 248.370 1.872 10 0 BDAEMP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+](C)C2)S1 ZINC000044538318 176324324 /nfs/dbraw/zinc/32/43/24/176324324.db2.gz SRCNHYBCDYBNQM-NXEZZACHSA-N 2 1 227.377 1.409 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+]1Cc1ccccc1 ZINC000062569189 176325785 /nfs/dbraw/zinc/32/57/85/176325785.db2.gz FBACUGZJIQWNBG-GFCCVEGCSA-N 2 1 204.317 1.870 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@H+]1Cc1ccccc1 ZINC000062569189 176325786 /nfs/dbraw/zinc/32/57/86/176325786.db2.gz FBACUGZJIQWNBG-GFCCVEGCSA-N 2 1 204.317 1.870 10 0 BDAEMP C[C@@H]1COCC[N@@H+]1CC1(C[NH3+])CCCCC1 ZINC000051216747 176335366 /nfs/dbraw/zinc/33/53/66/176335366.db2.gz IBFPOXHRMGDRPL-GFCCVEGCSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@@H]1COCC[N@H+]1CC1(C[NH3+])CCCCC1 ZINC000051216747 176335368 /nfs/dbraw/zinc/33/53/68/176335368.db2.gz IBFPOXHRMGDRPL-GFCCVEGCSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@H]1CCC[N@@H+](CCN2CCC[NH2+]CC2)C1 ZINC000061274908 177098180 /nfs/dbraw/zinc/09/81/80/177098180.db2.gz GAPMQEFSYUXPQF-ZDUSSCGKSA-N 2 1 225.380 1.014 10 0 BDAEMP C[C@H]1CCC[N@@H+](CCC[C@](C)([NH3+])C(N)=O)CC1 ZINC000104353537 177098710 /nfs/dbraw/zinc/09/87/10/177098710.db2.gz UOQPDAZVHUOVOP-AAEUAGOBSA-N 2 1 241.379 1.091 10 0 BDAEMP C[C@H]1CCC[N@@H+](Cc2cc(C[NH3+])no2)C1 ZINC000052381445 177099167 /nfs/dbraw/zinc/09/91/67/177099167.db2.gz FRBIQBISEGUKKP-VIFPVBQESA-N 2 1 209.293 1.365 10 0 BDAEMP C[C@H]1CCC[C@@](C[NH3+])(N2CCC[N@@H+](C)CC2)C1 ZINC000020217714 177127969 /nfs/dbraw/zinc/12/79/69/177127969.db2.gz JZHFXBGRKQLENN-UONOGXRCSA-N 2 1 239.407 1.532 10 0 BDAEMP C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000042824605 177161556 /nfs/dbraw/zinc/16/15/56/177161556.db2.gz GCVBOBJFPXBRKA-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000042824605 177161557 /nfs/dbraw/zinc/16/15/57/177161557.db2.gz GCVBOBJFPXBRKA-RYUDHWBXSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1[NH3+] ZINC000336696138 177248995 /nfs/dbraw/zinc/24/89/95/177248995.db2.gz ARCCHKSBJRZCMA-DZGCQCFKSA-N 2 1 248.370 1.872 10 0 BDAEMP C[C@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1[NH3+] ZINC000336696138 177248996 /nfs/dbraw/zinc/24/89/96/177248996.db2.gz ARCCHKSBJRZCMA-DZGCQCFKSA-N 2 1 248.370 1.872 10 0 BDAEMP C[C@H]1C[N@H+](C[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000061917134 177257331 /nfs/dbraw/zinc/25/73/31/177257331.db2.gz LHEVUEPXBBPNCV-QWRGUYRKSA-N 2 1 214.353 1.471 10 0 BDAEMP C[C@H]1C[N@@H+](C[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000061917134 177257332 /nfs/dbraw/zinc/25/73/32/177257332.db2.gz LHEVUEPXBBPNCV-QWRGUYRKSA-N 2 1 214.353 1.471 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cc(C[NH3+])co2)CCCO1 ZINC000061935626 177261318 /nfs/dbraw/zinc/26/13/18/177261318.db2.gz PEQPWXVQMLWOJB-JTQLQIEISA-N 2 1 224.304 1.349 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@H+](Cc2cccnc2)C1 ZINC000049666589 177281286 /nfs/dbraw/zinc/28/12/86/177281286.db2.gz FPXDTUXBDKSMAJ-LBPRGKRZSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+](Cc2cccnc2)C1 ZINC000049666589 177281288 /nfs/dbraw/zinc/28/12/88/177281288.db2.gz FPXDTUXBDKSMAJ-LBPRGKRZSA-N 2 1 219.332 1.513 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](Cc2ccccn2)C1 ZINC000049666527 177285251 /nfs/dbraw/zinc/28/52/51/177285251.db2.gz LZJNWOQCBFJLMA-BETUJISGSA-N 2 1 233.359 1.759 10 0 BDAEMP C[C@@H]1C[C@H](C)C[N@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052180575 177313463 /nfs/dbraw/zinc/31/34/63/177313463.db2.gz UVNLZVLPQNIUCR-BETUJISGSA-N 2 1 240.391 1.720 10 0 BDAEMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006211 177370689 /nfs/dbraw/zinc/37/06/89/177370689.db2.gz GHCXEMQIRXBZSB-SCVCMEIPSA-N 2 1 222.336 1.228 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000038006211 177370690 /nfs/dbraw/zinc/37/06/90/177370690.db2.gz GHCXEMQIRXBZSB-SCVCMEIPSA-N 2 1 222.336 1.228 10 0 BDAEMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000383586700 487642619 /nfs/dbraw/zinc/64/26/19/487642619.db2.gz NAOSZNKXSMXMRL-JSGCOSHPSA-N 2 1 231.343 1.955 10 0 BDAEMP Cn1nccc1CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226468276 487753335 /nfs/dbraw/zinc/75/33/35/487753335.db2.gz LYXFCETYONKZQR-LBPRGKRZSA-N 2 1 236.363 1.037 10 0 BDAEMP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566732240 326076947 /nfs/dbraw/zinc/07/69/47/326076947.db2.gz LIQXWTIHPMPEHH-MJBXVCDLSA-N 2 1 239.407 1.448 10 0 BDAEMP CCC[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000389517726 488099784 /nfs/dbraw/zinc/09/97/84/488099784.db2.gz GICPTFAOQLQQNW-CHWSQXEVSA-N 2 1 225.380 1.202 10 0 BDAEMP CCCN1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000389517726 488099790 /nfs/dbraw/zinc/09/97/90/488099790.db2.gz GICPTFAOQLQQNW-CHWSQXEVSA-N 2 1 225.380 1.202 10 0 BDAEMP CC[C@@H](C)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000309244136 491146611 /nfs/dbraw/zinc/14/66/11/491146611.db2.gz YWJIYGBOCQCLBI-LLVKDONJSA-N 2 1 214.353 1.079 10 0 BDAEMP CC1CC([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000309512990 491150695 /nfs/dbraw/zinc/15/06/95/491150695.db2.gz XWLMPCDTOTZRNC-MOENNCHZSA-N 2 1 219.332 1.834 10 0 BDAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400362132 528828724 /nfs/dbraw/zinc/82/87/24/528828724.db2.gz CJOXXCGROIAQQB-AGIUHOORSA-N 2 1 227.396 1.303 10 0 BDAEMP CC[C@@H](CC[NH3+])[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000037039547 535739866 /nfs/dbraw/zinc/73/98/66/535739866.db2.gz FCHQKSMTMPIEND-ZDUSSCGKSA-N 3 1 248.374 1.331 10 0 BDAEMP CCOc1ccc([C@@H]2C[NH2+]C[C@@]2([NH3+])CC)cc1 ZINC000725262687 566309004 /nfs/dbraw/zinc/30/90/04/566309004.db2.gz CUTKBAGJQFQJNW-KBPBESRZSA-N 2 1 234.343 1.880 10 0 BDAEMP C[C@@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCCF ZINC000757130800 582504903 /nfs/dbraw/zinc/50/49/03/582504903.db2.gz OCKQSXDDTRLZSL-NWDGAFQWSA-N 2 1 214.328 1.953 10 0 BDAEMP COCC[C@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757134050 582510317 /nfs/dbraw/zinc/51/03/17/582510317.db2.gz VYVNRERYBGGMSD-LBPRGKRZSA-N 2 1 226.364 1.629 10 0 BDAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757151943 582535964 /nfs/dbraw/zinc/53/59/64/582535964.db2.gz RYHMUOADDIHUGS-STQMWFEESA-N 2 1 224.348 1.587 10 0 BDAEMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H]1CC1(C)C ZINC000399010508 583169114 /nfs/dbraw/zinc/16/91/14/583169114.db2.gz XGWUINMBPNRTOT-YPMHNXCESA-N 2 1 240.391 1.467 10 0 BDAEMP CN1CCC([N@@H+](C)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675053867 583929029 /nfs/dbraw/zinc/92/90/29/583929029.db2.gz OWCMWESDBBMSJW-GXTWGEPZSA-N 2 1 239.407 1.530 10 0 BDAEMP C[C@@H]1CC[NH2+][C@H](c2cccc(C[NH3+])c2)[C@H]1N ZINC000757220251 586442076 /nfs/dbraw/zinc/44/20/76/586442076.db2.gz XPNMWCXEYJNJLV-JIMOISOXSA-N 2 1 219.332 1.143 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1C[C@H](C)[C@H]([NH3+])C[NH2+]1 ZINC000757228294 586442817 /nfs/dbraw/zinc/44/28/17/586442817.db2.gz CFPSWWQBWURNFQ-BIMULSAOSA-N 2 1 219.332 1.575 10 0 BDAEMP [NH3+]Cc1cc([C@@H]2CC[NH2+]C[C@H]2[NH3+])ccc1C1CC1 ZINC000757232765 586443274 /nfs/dbraw/zinc/44/32/74/586443274.db2.gz JIGQPUZJHSRLMD-LSDHHAIUSA-N 3 1 245.370 1.427 10 0 BDAEMP [NH3+]Cc1cc([C@@H]2CCNC[C@H]2[NH3+])ccc1C1CC1 ZINC000757232765 586443275 /nfs/dbraw/zinc/44/32/75/586443275.db2.gz JIGQPUZJHSRLMD-LSDHHAIUSA-N 2 1 245.370 1.427 10 0 BDAEMP Cc1ccc(N)cc1[C@@H]1CC[C@H]([NH3+])[C@@H](C)[NH2+]1 ZINC000757238634 586444127 /nfs/dbraw/zinc/44/41/27/586444127.db2.gz TUCMGAYHAHLQQB-ICCXJUOJSA-N 2 1 219.332 1.718 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@@H]1N(C)C ZINC000124256705 589971208 /nfs/dbraw/zinc/97/12/08/589971208.db2.gz UMAAJOHJSSLERS-KGLIPLIRSA-N 2 1 241.423 1.778 10 0 BDAEMP C[C@@H]1CN(CCCCCCC[NH3+])C[C@@H]1[NH+](C)C ZINC000124256705 589971211 /nfs/dbraw/zinc/97/12/11/589971211.db2.gz UMAAJOHJSSLERS-KGLIPLIRSA-N 2 1 241.423 1.778 10 0 BDAEMP CS[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000300391134 592510265 /nfs/dbraw/zinc/51/02/65/592510265.db2.gz SMLZIDRUEGTVFJ-KXUCPTDWSA-N 2 1 200.351 1.222 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ncc[nH]1 ZINC000124791224 634436059 /nfs/dbraw/zinc/43/60/59/634436059.db2.gz FTUXYXPVEUPIQI-IVZWLZJFSA-N 2 1 208.309 1.188 10 0 BDAEMP [NH3+]CCCCCCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000094462374 631576184 /nfs/dbraw/zinc/57/61/84/631576184.db2.gz VBGVHMIHSGFKCB-CQSZACIVSA-N 2 1 239.407 1.676 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H]([NH3+])CC(F)F ZINC000310308007 632718703 /nfs/dbraw/zinc/71/87/03/632718703.db2.gz SHIOIPLNHGXALU-QWRGUYRKSA-N 2 1 249.349 1.385 10 0 BDAEMP CCN1CCC[C@H]1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000092633519 634197534 /nfs/dbraw/zinc/19/75/34/634197534.db2.gz YPAHHFYRTBRAOB-RDBSUJKOSA-N 2 1 239.407 1.530 10 0 BDAEMP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000092633519 634197538 /nfs/dbraw/zinc/19/75/38/634197538.db2.gz YPAHHFYRTBRAOB-RDBSUJKOSA-N 2 1 239.407 1.530 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000092633519 634197542 /nfs/dbraw/zinc/19/75/42/634197542.db2.gz YPAHHFYRTBRAOB-RDBSUJKOSA-N 2 1 239.407 1.530 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]12 ZINC000311052924 636995078 /nfs/dbraw/zinc/99/50/78/636995078.db2.gz HAYKUDNVFPCCQY-KBUPBQIOSA-N 2 1 246.354 1.389 10 0 BDAEMP C[C@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000035776842 639920738 /nfs/dbraw/zinc/92/07/38/639920738.db2.gz MOFUCZUMTRDORF-LBPRGKRZSA-N 2 1 214.353 1.616 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)CC1(O)CCCCC1 ZINC000087458315 640893180 /nfs/dbraw/zinc/89/31/80/640893180.db2.gz WTRRZTRMMQFIFA-CYBMUJFWSA-N 2 1 240.391 1.565 10 0 BDAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)CC1(O)CCCCC1 ZINC000087458315 640893182 /nfs/dbraw/zinc/89/31/82/640893182.db2.gz WTRRZTRMMQFIFA-CYBMUJFWSA-N 2 1 240.391 1.565 10 0 BDAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)CC1(O)CCCCC1 ZINC000087458315 640893185 /nfs/dbraw/zinc/89/31/85/640893185.db2.gz WTRRZTRMMQFIFA-CYBMUJFWSA-N 2 1 240.391 1.565 10 0 BDAEMP C([C@@H]1CCCO1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190285 641142608 /nfs/dbraw/zinc/14/26/08/641142608.db2.gz OERPJYRKGYWBIQ-MELADBBJSA-N 2 1 238.375 1.772 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190285 641142617 /nfs/dbraw/zinc/14/26/17/641142617.db2.gz OERPJYRKGYWBIQ-MELADBBJSA-N 2 1 238.375 1.772 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CCCO1 ZINC000251645793 642882208 /nfs/dbraw/zinc/88/22/08/642882208.db2.gz SKQHSJQDLMYKCU-QJPTWQEYSA-N 2 1 212.337 1.367 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000251645793 642882210 /nfs/dbraw/zinc/88/22/10/642882210.db2.gz SKQHSJQDLMYKCU-QJPTWQEYSA-N 2 1 212.337 1.367 10 0 BDAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757151931 643341805 /nfs/dbraw/zinc/34/18/05/643341805.db2.gz RYHMUOADDIHUGS-QWHCGFSZSA-N 2 1 224.348 1.587 10 0 BDAEMP C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666810 643363812 /nfs/dbraw/zinc/36/38/12/643363812.db2.gz IRFPNBAPLVTDPV-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000251913017 644830324 /nfs/dbraw/zinc/83/03/24/644830324.db2.gz XIMSNBVORXDHLI-RDBSUJKOSA-N 2 1 237.391 1.012 10 0 BDAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCO1 ZINC000252682455 644878049 /nfs/dbraw/zinc/87/80/49/644878049.db2.gz CBDSYINWUZJDLA-NEPJUHHUSA-N 2 1 214.353 1.471 10 0 BDAEMP C[C@H]1C[N@@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719873045 712824700 /nfs/dbraw/zinc/82/47/00/712824700.db2.gz ONUJMEFTHBMYNM-VHSXEESVSA-N 2 1 225.361 1.212 10 0 BDAEMP Cc1cnc(C[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000724031849 710736937 /nfs/dbraw/zinc/73/69/37/710736937.db2.gz ALUNUQYMEAUXAX-ZDUSSCGKSA-N 2 1 233.359 1.930 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000723781250 711536892 /nfs/dbraw/zinc/53/68/92/711536892.db2.gz ITNGXHVJMYGYRY-BDAKNGLRSA-N 2 1 231.303 1.225 10 0 BDAEMP Cc1cccc(N2C[C@@H](C)[C@H](CC[NH3+])C2)[nH+]1 ZINC000723881869 711543188 /nfs/dbraw/zinc/54/31/88/711543188.db2.gz CONKZXDVQALOGZ-ZYHUDNBSSA-N 2 1 219.332 1.811 10 0 BDAEMP CC1(C)C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCS1 ZINC000725662016 711669029 /nfs/dbraw/zinc/66/90/29/711669029.db2.gz RXKXRHMHBZEZSW-NXEZZACHSA-N 2 1 214.378 1.612 10 0 BDAEMP CC[C@](C)(O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702288379 712045221 /nfs/dbraw/zinc/04/52/21/712045221.db2.gz VTAJAUPKEJUIHV-XQQFMLRXSA-N 2 1 226.364 1.031 10 0 BDAEMP CC[C@](C)(O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702288379 712045223 /nfs/dbraw/zinc/04/52/23/712045223.db2.gz VTAJAUPKEJUIHV-XQQFMLRXSA-N 2 1 226.364 1.031 10 0 BDAEMP CC[C@](C)(O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702288379 712045225 /nfs/dbraw/zinc/04/52/25/712045225.db2.gz VTAJAUPKEJUIHV-XQQFMLRXSA-N 2 1 226.364 1.031 10 0 BDAEMP C[C@H]1C[N@@H+](CCc2cccs2)C[C@@H]1C[NH3+] ZINC000708862642 712201233 /nfs/dbraw/zinc/20/12/33/712201233.db2.gz PNXQNHKANZFPMT-QWRGUYRKSA-N 2 1 224.373 1.817 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@@H]1C[NH3+] ZINC000708892716 712202587 /nfs/dbraw/zinc/20/25/87/712202587.db2.gz GUBFBZWBJKSNAX-KOLCDFICSA-N 2 1 239.750 1.762 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@@H]1C[NH3+] ZINC000708892716 712202589 /nfs/dbraw/zinc/20/25/89/712202589.db2.gz GUBFBZWBJKSNAX-KOLCDFICSA-N 2 1 239.750 1.762 10 0 BDAEMP CO[C@H]1C[N@@H+](CCCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000708977094 712205421 /nfs/dbraw/zinc/20/54/21/712205421.db2.gz KEUBOKWTSOPINN-CHWSQXEVSA-N 2 1 226.364 1.615 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1[NH3+] ZINC000709695133 712216388 /nfs/dbraw/zinc/21/63/88/712216388.db2.gz BYHNRJXVVNKKOP-WOPDTQHZSA-N 2 1 240.391 1.859 10 0 BDAEMP CCc1cc(NC[C@H]2C[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000715073531 712506304 /nfs/dbraw/zinc/50/63/04/712506304.db2.gz QEKAQDVAUDCQIH-MGCOHNPYSA-N 2 1 220.320 1.497 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715391236 712522513 /nfs/dbraw/zinc/52/25/13/712522513.db2.gz DKCRZJWMJRFSFD-VZZFWQQMSA-N 2 1 238.375 1.471 10 0 BDAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719210057 712800163 /nfs/dbraw/zinc/80/01/63/712800163.db2.gz BKQWYWOVXXSIRL-CHWSQXEVSA-N 2 1 242.407 1.857 10 0 BDAEMP Cc1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)nc(C)[nH+]1 ZINC000721095223 712890498 /nfs/dbraw/zinc/89/04/98/712890498.db2.gz DUJXZTYRSDDYFH-BXKDBHETSA-N 2 1 234.347 1.751 10 0 BDAEMP COc1ccc(C)cc1[C@H]1C[NH2+]C[C@@]1(C)[NH3+] ZINC000685965454 538911892 /nfs/dbraw/zinc/91/18/92/538911892.db2.gz FBNBZMICKOGSKM-DGCLKSJQSA-N 2 1 220.316 1.408 10 0 BDAEMP Cc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])c(C)c1 ZINC000685965338 538912044 /nfs/dbraw/zinc/91/20/44/538912044.db2.gz ACQWAPJYCYKMMO-OLZOCXBDSA-N 2 1 204.317 1.708 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000685965420 538912083 /nfs/dbraw/zinc/91/20/83/538912083.db2.gz CWYYCDSGKSLAQA-MNOVXSKESA-N 2 1 210.708 1.744 10 0 BDAEMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)c(C)n1C ZINC000052790275 178024496 /nfs/dbraw/zinc/02/44/96/178024496.db2.gz HAPBVKNWQSUSOD-CYBMUJFWSA-N 2 1 235.375 1.683 10 0 BDAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000307515458 398174063 /nfs/dbraw/zinc/17/40/63/398174063.db2.gz MTMIRPQAXSJKSL-OPRDCNLKSA-N 2 1 202.367 1.550 10 0 BDAEMP Cc1cc(N(CCC(N)=[NH2+])C2CC2)nc(C)[nH+]1 ZINC000042548325 178101848 /nfs/dbraw/zinc/10/18/48/178101848.db2.gz WUUJJBUEKPVWMM-UHFFFAOYSA-N 2 1 233.319 1.388 10 0 BDAEMP CCC(CC)[N@@H+](CCO)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042499804 168374020 /nfs/dbraw/zinc/37/40/20/168374020.db2.gz JVFXVVFCPZUECI-TZMCWYRMSA-N 2 1 242.407 1.987 10 0 BDAEMP Cc1cc[nH+]c(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000335285887 136234175 /nfs/dbraw/zinc/23/41/75/136234175.db2.gz TVPMIKWCIZZXGY-DGCLKSJQSA-N 2 1 219.332 1.811 10 0 BDAEMP C/C(=C/Cl)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000379300553 342700516 /nfs/dbraw/zinc/70/05/16/342700516.db2.gz NLTXUQSGVBPLME-VCNAMUQVSA-N 2 1 202.729 1.941 10 0 BDAEMP C/C(=C/Cl)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000379300553 342700518 /nfs/dbraw/zinc/70/05/18/342700518.db2.gz NLTXUQSGVBPLME-VCNAMUQVSA-N 2 1 202.729 1.941 10 0 BDAEMP [NH3+][C@@H]1CCC[C@H]1[N@H+]1CCCSCC1 ZINC000042444478 361999960 /nfs/dbraw/zinc/99/99/60/361999960.db2.gz ZNISZUCQEKNHOK-NXEZZACHSA-N 2 1 200.351 1.305 10 0 BDAEMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132283187 343187506 /nfs/dbraw/zinc/18/75/06/343187506.db2.gz MUSJDULZOLIIDQ-LBPRGKRZSA-N 2 1 236.363 1.126 10 0 BDAEMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132282983 343187568 /nfs/dbraw/zinc/18/75/68/343187568.db2.gz MUSJDULZOLIIDQ-GFCCVEGCSA-N 2 1 236.363 1.126 10 0 BDAEMP CC[C@@H]([NH3+])CNc1[nH]c2ccccc2[nH+]1 ZINC000082579269 343452608 /nfs/dbraw/zinc/45/26/08/343452608.db2.gz KWXDNZKWPGXAGJ-MRVPVSSYSA-N 2 1 204.277 1.712 10 0 BDAEMP COC[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000218548042 343793191 /nfs/dbraw/zinc/79/31/91/343793191.db2.gz QMHOARZNADZMJB-NSHDSACASA-N 2 1 212.337 1.097 10 0 BDAEMP CCOC[C@@H]1C[N@H+](CC[NH3+])CC12CCCCC2 ZINC000409425687 343820292 /nfs/dbraw/zinc/82/02/92/343820292.db2.gz BCHXTKZDPYZKPF-ZDUSSCGKSA-N 2 1 240.391 1.864 10 0 BDAEMP CCOC[C@@H]1C[N@@H+](CC[NH3+])CC12CCCCC2 ZINC000409425687 343820294 /nfs/dbraw/zinc/82/02/94/343820294.db2.gz BCHXTKZDPYZKPF-ZDUSSCGKSA-N 2 1 240.391 1.864 10 0 BDAEMP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000409434591 343834365 /nfs/dbraw/zinc/83/43/65/343834365.db2.gz YMTFUHMWLZUZGC-KBPBESRZSA-N 2 1 216.328 1.856 10 0 BDAEMP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000409434591 343834367 /nfs/dbraw/zinc/83/43/67/343834367.db2.gz YMTFUHMWLZUZGC-KBPBESRZSA-N 2 1 216.328 1.856 10 0 BDAEMP COC[C@]12CCC[C@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC000409435035 343835797 /nfs/dbraw/zinc/83/57/97/343835797.db2.gz SBWLFHSGMLGBCY-GXTWGEPZSA-N 2 1 238.375 1.487 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000235369120 343965120 /nfs/dbraw/zinc/96/51/20/343965120.db2.gz BESFMCGULWDRIF-LPEHRKFASA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H](CC[NH3+])[N@H+]1CCSC(C)(C)C1 ZINC000135210403 343967540 /nfs/dbraw/zinc/96/75/40/343967540.db2.gz KYRKYRNSFBRGIA-VIFPVBQESA-N 2 1 202.367 1.551 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299926389 344166916 /nfs/dbraw/zinc/16/69/16/344166916.db2.gz MKOUVNVKRMHDPW-REWJHTLYSA-N 2 1 238.375 1.506 10 0 BDAEMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299926389 344166918 /nfs/dbraw/zinc/16/69/18/344166918.db2.gz MKOUVNVKRMHDPW-REWJHTLYSA-N 2 1 238.375 1.506 10 0 BDAEMP C[N@@H+](CCCN[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000094074295 344156534 /nfs/dbraw/zinc/15/65/34/344156534.db2.gz ZUVLYKTXENMSDD-HNNXBMFYSA-N 2 1 247.386 1.460 10 0 BDAEMP CCc1nc(N2C[C@@H]([NH3+])C[C@@H]2C)cc(C)[nH+]1 ZINC000384989267 344286340 /nfs/dbraw/zinc/28/63/40/344286340.db2.gz LVVVOSHHQHOYJV-UWVGGRQHSA-N 2 1 220.320 1.273 10 0 BDAEMP CCSCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000133773367 344321432 /nfs/dbraw/zinc/32/14/32/344321432.db2.gz LNBGVGGYQGSZBM-VHSXEESVSA-N 2 1 202.367 1.470 10 0 BDAEMP Cc1cc(N2C[C@@H]([NH3+])C[C@H]2C)nc(C)[nH+]1 ZINC000385225917 344378431 /nfs/dbraw/zinc/37/84/31/344378431.db2.gz HZUQDDBODZWPOQ-SCZZXKLOSA-N 2 1 206.293 1.019 10 0 BDAEMP F[C@]1([C@H]2CCCCC[NH2+]2)CCC[NH2+]C1 ZINC000158093239 344542078 /nfs/dbraw/zinc/54/20/78/344542078.db2.gz MGKHDXJIYFGYIR-GHMZBOCLSA-N 2 1 200.301 1.610 10 0 BDAEMP C[NH+]1CCC[C@H]1C[C@@H](O)C[C@H]1CCC[N@@H+]1C ZINC000396034481 344582995 /nfs/dbraw/zinc/58/29/95/344582995.db2.gz UOJNOOLFFFFKNA-ITGUQSILSA-N 2 1 226.364 1.316 10 0 BDAEMP C[NH+]1CCC[C@@H]1C[C@H](O)C[C@@H]1CCC[N@@H+]1C ZINC000396034481 344582999 /nfs/dbraw/zinc/58/29/99/344582999.db2.gz UOJNOOLFFFFKNA-ITGUQSILSA-N 2 1 226.364 1.316 10 0 BDAEMP C[NH+]1CCC[C@@H]1C[C@H](O)C[C@@H]1CCC[N@H+]1C ZINC000396034481 344583002 /nfs/dbraw/zinc/58/30/02/344583002.db2.gz UOJNOOLFFFFKNA-ITGUQSILSA-N 2 1 226.364 1.316 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000235302866 344879425 /nfs/dbraw/zinc/87/94/25/344879425.db2.gz BESFMCGULWDRIF-GUBZILKMSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)CS1 ZINC000235424445 344909394 /nfs/dbraw/zinc/90/93/94/344909394.db2.gz UJCABGXUIQZDRW-IMSYWVGJSA-N 2 1 200.351 1.159 10 0 BDAEMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)CS1 ZINC000235424445 344909396 /nfs/dbraw/zinc/90/93/96/344909396.db2.gz UJCABGXUIQZDRW-IMSYWVGJSA-N 2 1 200.351 1.159 10 0 BDAEMP CSC[C@H](C)[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000128129171 345116714 /nfs/dbraw/zinc/11/67/14/345116714.db2.gz XMBMGVAAJZIDRG-UWVGGRQHSA-N 2 1 202.367 1.422 10 0 BDAEMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000634999597 345200067 /nfs/dbraw/zinc/20/00/67/345200067.db2.gz WUOATAXGOYUMJZ-ONGXEEELSA-N 2 1 235.331 1.122 10 0 BDAEMP [NH3+]CC1([C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000669377833 537966379 /nfs/dbraw/zinc/96/63/79/537966379.db2.gz XVDRCXRXVIXBAV-HNNXBMFYSA-N 2 1 246.354 1.362 10 0 BDAEMP CC[C@@H](C[NH3+])[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000669377540 537965000 /nfs/dbraw/zinc/96/50/00/537965000.db2.gz STNPBWJBVJDOIR-GJZGRUSLSA-N 2 1 248.370 1.608 10 0 BDAEMP C[N@@H+]([C@@H]1CCSC1)[C@@H]1CCC[C@H]1[NH3+] ZINC000250430498 362803678 /nfs/dbraw/zinc/80/36/78/362803678.db2.gz QZJNARKNPAPNKJ-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP [NH3+][C@H]1C[NH2+]CC[C@H]1c1ccc2c(c1)CCN2 ZINC000669381419 537995209 /nfs/dbraw/zinc/99/52/09/537995209.db2.gz JEVUKQHMHZRDPJ-RYUDHWBXSA-N 2 1 217.316 1.059 10 0 BDAEMP Cc1ccccc1[C@H]([NH3+])CC[N@H+](C)C[C@@H](C)O ZINC000054023283 179344071 /nfs/dbraw/zinc/34/40/71/179344071.db2.gz HOWLKHLXGZTFGM-TZMCWYRMSA-N 2 1 236.359 1.698 10 0 BDAEMP C[NH2+][C@H]1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000250697372 349178105 /nfs/dbraw/zinc/17/81/05/349178105.db2.gz BWFYYQAZRHXEKS-GXTWGEPZSA-N 2 1 216.328 1.968 10 0 BDAEMP C[NH2+][C@H]1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000250697372 349178110 /nfs/dbraw/zinc/17/81/10/349178110.db2.gz BWFYYQAZRHXEKS-GXTWGEPZSA-N 2 1 216.328 1.968 10 0 BDAEMP CCc1nc(N[C@@H](C)C[C@H](C)[NH3+])cc(C)[nH+]1 ZINC000304375757 350155823 /nfs/dbraw/zinc/15/58/23/350155823.db2.gz VOAIVVHNOTYDIW-IUCAKERBSA-N 2 1 222.336 1.885 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314295051 350170242 /nfs/dbraw/zinc/17/02/42/350170242.db2.gz FQMOQUBPLSURDY-ZYHUDNBSSA-N 2 1 223.320 1.120 10 0 BDAEMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)s1 ZINC000037797621 180152888 /nfs/dbraw/zinc/15/28/88/180152888.db2.gz HZMALAUCVPILNF-JTQLQIEISA-N 2 1 225.361 1.493 10 0 BDAEMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)s1 ZINC000037797621 180152890 /nfs/dbraw/zinc/15/28/90/180152890.db2.gz HZMALAUCVPILNF-JTQLQIEISA-N 2 1 225.361 1.493 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC[N@@H+]1C ZINC000252195148 538085654 /nfs/dbraw/zinc/08/56/54/538085654.db2.gz VKOBQQPVVGITRH-YVECIDJPSA-N 2 1 226.364 1.362 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC[N@H+]1C ZINC000252195148 538085659 /nfs/dbraw/zinc/08/56/59/538085659.db2.gz VKOBQQPVVGITRH-YVECIDJPSA-N 2 1 226.364 1.362 10 0 BDAEMP Cc1[nH+]cn(Cc2occc2C[NH3+])c1C ZINC000052593506 180288646 /nfs/dbraw/zinc/28/86/46/180288646.db2.gz DMJQNAMBWAWLJU-UHFFFAOYSA-N 2 1 205.261 1.600 10 0 BDAEMP Cc1[nH+]cn(Cc2ccoc2C[NH3+])c1C ZINC000052593519 180290134 /nfs/dbraw/zinc/29/01/34/180290134.db2.gz UGDWUVUQIMHAJT-UHFFFAOYSA-N 2 1 205.261 1.600 10 0 BDAEMP COC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918113 350291098 /nfs/dbraw/zinc/29/10/98/350291098.db2.gz HYFRLDBVZDXQQU-NEPJUHHUSA-N 2 1 240.347 1.014 10 0 BDAEMP C[C@H]1C[N@@H+](C[C@H]2CCCS2)CCC[NH2+]1 ZINC000251895508 362979801 /nfs/dbraw/zinc/97/98/01/362979801.db2.gz VXWQIFXPEQVHRI-WDEREUQCSA-N 2 1 214.378 1.566 10 0 BDAEMP CC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000251915297 362985632 /nfs/dbraw/zinc/98/56/32/362985632.db2.gz YAXQFMWHBFCHMM-CHWSQXEVSA-N 2 1 204.317 1.856 10 0 BDAEMP CC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000251915297 362985641 /nfs/dbraw/zinc/98/56/41/362985641.db2.gz YAXQFMWHBFCHMM-CHWSQXEVSA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@@H]1CC[N@@H+]([C@H]2CCSC2)C[C@H]1[NH3+] ZINC000251597842 350899198 /nfs/dbraw/zinc/89/91/98/350899198.db2.gz GBAPNXRLFNLRTC-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@H+]([C@H]2CCSC2)C[C@H]1[NH3+] ZINC000251597842 350899202 /nfs/dbraw/zinc/89/92/02/350899202.db2.gz GBAPNXRLFNLRTC-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@@H]1CC[C@H]1C[NH3+] ZINC000251847105 350904834 /nfs/dbraw/zinc/90/48/34/350904834.db2.gz RAJRFBCWWDRINF-KXUCPTDWSA-N 2 1 200.351 1.161 10 0 BDAEMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000211198851 351064363 /nfs/dbraw/zinc/06/43/63/351064363.db2.gz FUDDCZSYXZHRSG-ZIAGYGMSSA-N 2 1 246.354 1.737 10 0 BDAEMP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc(CO)c2)CC1 ZINC000616629733 351100844 /nfs/dbraw/zinc/10/08/44/351100844.db2.gz UGOYZLCFRSDDKG-AWEZNQCLSA-N 2 1 248.370 1.707 10 0 BDAEMP [NH3+]CC[N@H+]1CCC[C@H](c2cccc(CO)c2)CC1 ZINC000616629733 351100845 /nfs/dbraw/zinc/10/08/45/351100845.db2.gz UGOYZLCFRSDDKG-AWEZNQCLSA-N 2 1 248.370 1.707 10 0 BDAEMP [NH3+]CC[C@@H]([NH3+])c1c(F)ccc(F)c1Cl ZINC000306850761 351174271 /nfs/dbraw/zinc/17/42/71/351174271.db2.gz PHVDZPSWCGITSN-SSDOTTSWSA-N 2 1 220.650 1.967 10 0 BDAEMP [NH3+]CC[C@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616659298 351206832 /nfs/dbraw/zinc/20/68/32/351206832.db2.gz PHJZWRUXIXLGDV-AWEZNQCLSA-N 2 1 234.343 1.626 10 0 BDAEMP C[C@@H]1C[NH2+][C@]2(CC[N@@H+](C)C[C@@H]2C)S1 ZINC000306949939 351374801 /nfs/dbraw/zinc/37/48/01/351374801.db2.gz XIPMTLFTPAKAED-IVZWLZJFSA-N 2 1 200.351 1.379 10 0 BDAEMP C[C@@H]1C[N@H+](C2CSC2)C[C@@]1(C)C[NH3+] ZINC000307030467 351431730 /nfs/dbraw/zinc/43/17/30/351431730.db2.gz PNHLAICTZZPUTE-PSASIEDQSA-N 2 1 200.351 1.019 10 0 BDAEMP CC1(Nc2cc[nH+]cc2Br)C[NH2+]C1 ZINC000307011198 351419141 /nfs/dbraw/zinc/41/91/41/351419141.db2.gz KRCLSWSINYVWIJ-UHFFFAOYSA-N 2 1 242.120 1.618 10 0 BDAEMP CS[C@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)C1 ZINC000307139213 351495442 /nfs/dbraw/zinc/49/54/42/351495442.db2.gz HQKIFGOPBIMRSK-UWVGGRQHSA-N 2 1 200.351 1.176 10 0 BDAEMP CS[C@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)C1 ZINC000307139213 351495444 /nfs/dbraw/zinc/49/54/44/351495444.db2.gz HQKIFGOPBIMRSK-UWVGGRQHSA-N 2 1 200.351 1.176 10 0 BDAEMP NC(=[NH2+])NC(=[NH2+])Nc1ccsc1Cl ZINC000307251799 351772388 /nfs/dbraw/zinc/77/23/88/351772388.db2.gz OSJNPQFYXYUMIU-UHFFFAOYSA-N 2 1 217.685 1.231 10 0 BDAEMP [NH3+][C@H]1C[NH2+]CC[C@@H]1c1c(F)cccc1Cl ZINC000725270051 538102055 /nfs/dbraw/zinc/10/20/55/538102055.db2.gz DMHRTMBADXCUHQ-XVKPBYJWSA-N 2 1 228.698 1.883 10 0 BDAEMP C[NH+](C)CC(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725271804 538103650 /nfs/dbraw/zinc/10/36/50/538103650.db2.gz SYTSMAKMYGTKPE-NSHDSACASA-N 2 1 233.315 1.133 10 0 BDAEMP CCC[C@H](C)C(=O)N1CC[NH+]=C1CC[NH2+]C ZINC000725272814 538104075 /nfs/dbraw/zinc/10/40/75/538104075.db2.gz RNNNPJGDMPCOIM-JTQLQIEISA-N 2 1 225.336 1.273 10 0 BDAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C2CSC2)C1 ZINC000307466954 352616312 /nfs/dbraw/zinc/61/63/12/352616312.db2.gz KGGZYYHLRBLVDA-RKDXNWHRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCS[C@H]1C ZINC000300353325 352559530 /nfs/dbraw/zinc/55/95/30/352559530.db2.gz WJHLQBSDOBGOST-GARJFASQSA-N 2 1 214.378 1.564 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+]1[C@@H]1CCS[C@H]1C ZINC000300353325 352559533 /nfs/dbraw/zinc/55/95/33/352559533.db2.gz WJHLQBSDOBGOST-GARJFASQSA-N 2 1 214.378 1.564 10 0 BDAEMP CC[C@@H]1[C@H](C)CC[N@H+]1C1(CN)CSC1 ZINC000306595279 353028363 /nfs/dbraw/zinc/02/83/63/353028363.db2.gz XVEWAVFIUXQSQM-NXEZZACHSA-N 2 1 214.378 1.551 10 0 BDAEMP CC[C@@H]1[C@H](C)CC[N@H+]1C1(C[NH3+])CSC1 ZINC000306595279 353028368 /nfs/dbraw/zinc/02/83/68/353028368.db2.gz XVEWAVFIUXQSQM-NXEZZACHSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000121364119 324012811 /nfs/dbraw/zinc/01/28/11/324012811.db2.gz LJIKXHQFXQLEJM-IRCOFANPSA-N 2 1 212.337 1.236 10 0 BDAEMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000121364119 324012813 /nfs/dbraw/zinc/01/28/13/324012813.db2.gz LJIKXHQFXQLEJM-IRCOFANPSA-N 2 1 212.337 1.236 10 0 BDAEMP OCC[NH+]1CCC([NH2+]CC2CCCCC2)CC1 ZINC000398961949 353387789 /nfs/dbraw/zinc/38/77/89/353387789.db2.gz NOWCWDWAUWQRNK-UHFFFAOYSA-N 2 1 240.391 1.613 10 0 BDAEMP CC[C@@H]1C[NH2+]CC[C@@]12[NH2+][C@@H](C)CS2 ZINC000229823225 355419802 /nfs/dbraw/zinc/41/98/02/355419802.db2.gz OLJKSWSRCWNPRG-AEJSXWLSSA-N 2 1 200.351 1.427 10 0 BDAEMP CC[C@@H]1C[NH2+]CC[C@]12[NH2+]C[C@@H](C)S2 ZINC000229823207 355419888 /nfs/dbraw/zinc/41/98/88/355419888.db2.gz ZOEOERQUHSEHKU-OPRDCNLKSA-N 2 1 200.351 1.427 10 0 BDAEMP CNC(=[NH2+])N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406013661 355611444 /nfs/dbraw/zinc/61/14/44/355611444.db2.gz VBBUABWSYSYABV-AWEZNQCLSA-N 2 1 246.358 1.395 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420303504 192208015 /nfs/dbraw/zinc/20/80/15/192208015.db2.gz NNZRWZVRPPWAGS-XQQFMLRXSA-N 2 1 226.364 1.485 10 0 BDAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(C[NH3+])cnn1C ZINC000675056008 538477308 /nfs/dbraw/zinc/47/73/08/538477308.db2.gz HTNHSNVMARDLHZ-WDEREUQCSA-N 2 1 236.363 1.499 10 0 BDAEMP [NH3+][C@H]1C=C(CC[C@@H]2CCCCO2)C[NH2+]C1 ZINC000675079126 538518270 /nfs/dbraw/zinc/51/82/70/538518270.db2.gz WQKRILCXZDSKIG-RYUDHWBXSA-N 2 1 210.321 1.193 10 0 BDAEMP C[C@H]1C[C@H](C2=C[C@H]([NH3+])C[NH2+]C2)C[C@@H](C)C1 ZINC000675077241 538512883 /nfs/dbraw/zinc/51/28/83/538512883.db2.gz BIKUCAGSYDWBIH-WGBDABJCSA-N 2 1 208.349 1.916 10 0 BDAEMP CC(C)[NH2+]CCN1CCC[N@H+](C2CC2)CC1 ZINC000193430423 357033268 /nfs/dbraw/zinc/03/32/68/357033268.db2.gz AMCQODRDNGDYCN-UHFFFAOYSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000389974092 357076432 /nfs/dbraw/zinc/07/64/32/357076432.db2.gz ZURLYTDYHMNAQQ-UKRRQHHQSA-N 2 1 248.370 1.933 10 0 BDAEMP C[C@H]1C[N@H+](C2CCSCC2)C[C@H]1[NH3+] ZINC000300048679 357176632 /nfs/dbraw/zinc/17/66/32/357176632.db2.gz LQBKOHAIGIWYFC-WCBMZHEXSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1CCSC1 ZINC000168830404 357246957 /nfs/dbraw/zinc/24/69/57/357246957.db2.gz SAYLLDLONJIPQJ-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1[NH3+] ZINC000235364397 357867738 /nfs/dbraw/zinc/86/77/38/357867738.db2.gz RJURTHQTDCUNJU-OCCSQVGLSA-N 2 1 218.344 1.898 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1[NH3+] ZINC000235364397 357867741 /nfs/dbraw/zinc/86/77/41/357867741.db2.gz RJURTHQTDCUNJU-OCCSQVGLSA-N 2 1 218.344 1.898 10 0 BDAEMP [NH3+][C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000038762072 358196066 /nfs/dbraw/zinc/19/60/66/358196066.db2.gz BFRCNVPFOVQZSH-ZDUSSCGKSA-N 2 1 204.317 2.000 10 0 BDAEMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000038762072 358196068 /nfs/dbraw/zinc/19/60/68/358196068.db2.gz BFRCNVPFOVQZSH-ZDUSSCGKSA-N 2 1 204.317 2.000 10 0 BDAEMP CC[N@@H+](CCC[NH3+])Cc1ccccc1OC ZINC000043457195 358376710 /nfs/dbraw/zinc/37/67/10/358376710.db2.gz HMEPGDBHKNTYIL-UHFFFAOYSA-N 2 1 222.332 1.866 10 0 BDAEMP C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578348080 366532193 /nfs/dbraw/zinc/53/21/93/366532193.db2.gz GSWCFEMLRNJRLZ-CHWSQXEVSA-N 2 1 239.407 1.448 10 0 BDAEMP C[C@H]1CSC[C@H]1[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000306191973 359019587 /nfs/dbraw/zinc/01/95/87/359019587.db2.gz PUGSWBZRHQSBHM-UTINFBMNSA-N 2 1 200.351 1.017 10 0 BDAEMP C[C@H]1[C@@H](C)[N@H+](CCC(F)F)CC[C@@H]1[NH3+] ZINC000306219530 359338317 /nfs/dbraw/zinc/33/83/17/359338317.db2.gz MXWGVILITJHOEH-YIZRAAEISA-N 2 1 206.280 1.699 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000306257675 359472557 /nfs/dbraw/zinc/47/25/57/359472557.db2.gz QNAHTWXQHBWLFW-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@H+]1CCC[C@@H]1C[NH3+] ZINC000306257675 359472560 /nfs/dbraw/zinc/47/25/60/359472560.db2.gz QNAHTWXQHBWLFW-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP CCc1nc(NCC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000045954813 359747001 /nfs/dbraw/zinc/74/70/01/359747001.db2.gz UTISCBKGSOFYAV-UHFFFAOYSA-N 2 1 234.347 1.759 10 0 BDAEMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309130475 491145353 /nfs/dbraw/zinc/14/53/53/491145353.db2.gz QXXAVDKTICOXLB-GMTAPVOTSA-N 2 1 205.305 1.444 10 0 BDAEMP C[C@@H]1[C@H](NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000306440771 360005793 /nfs/dbraw/zinc/00/57/93/360005793.db2.gz KUIUBFJHGZESNY-ZYHUDNBSSA-N 2 1 232.331 1.132 10 0 BDAEMP C[C@H]1C[N@H+](C)CC[C@]12[NH2+]CCCS2 ZINC000306568456 360450077 /nfs/dbraw/zinc/45/00/77/360450077.db2.gz USTVSTIKRULAHM-VHSXEESVSA-N 2 1 200.351 1.381 10 0 BDAEMP C[C@H]1C[N@@H+](C)CC[C@]12[NH2+]CCCS2 ZINC000306568456 360450083 /nfs/dbraw/zinc/45/00/83/360450083.db2.gz USTVSTIKRULAHM-VHSXEESVSA-N 2 1 200.351 1.381 10 0 BDAEMP COC[C@H](C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309470845 491149268 /nfs/dbraw/zinc/14/92/68/491149268.db2.gz QQVCCDYPHXHURV-MNOVXSKESA-N 2 1 223.320 1.070 10 0 BDAEMP CC1(C)CC([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000309472185 491149304 /nfs/dbraw/zinc/14/93/04/491149304.db2.gz RDXHQRZHZHHIIL-SNVBAGLBSA-N 2 1 219.332 1.976 10 0 BDAEMP CC[C@](C)([C@@H](C)[NH3+])[N@H+]1CCSC[C@H]1C ZINC000306602763 360528995 /nfs/dbraw/zinc/52/89/95/360528995.db2.gz WJHPXLCMENZPCW-GMTAPVOTSA-N 2 1 216.394 1.940 10 0 BDAEMP CC[C@@](C)(C[NH3+])[N@H+]1CCCOC[C@H]1C ZINC000306592492 360511366 /nfs/dbraw/zinc/51/13/66/360511366.db2.gz WLXDSLSAWDIWRT-MNOVXSKESA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@@H](CC(N)=[NH2+])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908675 361015403 /nfs/dbraw/zinc/01/54/03/361015403.db2.gz PDXBYYFCYKBNQP-XHNCKOQMSA-N 2 1 215.366 1.527 10 0 BDAEMP CC(C)[C@@H]([NH3+])C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910067 361017010 /nfs/dbraw/zinc/01/70/10/361017010.db2.gz IIPXAMNNZDPWTK-AXFHLTTASA-N 2 1 216.394 1.796 10 0 BDAEMP CC(C)[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910067 361017012 /nfs/dbraw/zinc/01/70/12/361017012.db2.gz IIPXAMNNZDPWTK-AXFHLTTASA-N 2 1 216.394 1.796 10 0 BDAEMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309720133 491154958 /nfs/dbraw/zinc/15/49/58/491154958.db2.gz VSECOBWYJIDKSG-DGCLKSJQSA-N 2 1 226.364 1.221 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000579227548 366738681 /nfs/dbraw/zinc/73/86/81/366738681.db2.gz OXTRFMRFUNNBCV-CHWSQXEVSA-N 2 1 242.407 1.715 10 0 BDAEMP [NH3+]C1([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000004204192 181332010 /nfs/dbraw/zinc/33/20/10/181332010.db2.gz CVIWGPQILYTQHX-ZDUSSCGKSA-N 2 1 216.328 2.000 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CC[N@@H+]1C ZINC000153722449 201248472 /nfs/dbraw/zinc/24/84/72/201248472.db2.gz GJTYHAYZPGVWJW-AAVRWANBSA-N 2 1 240.391 1.610 10 0 BDAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CC[N@H+]1C ZINC000153722449 201248475 /nfs/dbraw/zinc/24/84/75/201248475.db2.gz GJTYHAYZPGVWJW-AAVRWANBSA-N 2 1 240.391 1.610 10 0 BDAEMP CN(C)c1nc(N2CCCCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000630548301 364245445 /nfs/dbraw/zinc/24/54/45/364245445.db2.gz CKDKGGXSVDZMFE-LLVKDONJSA-N 2 1 249.362 1.250 10 0 BDAEMP Cc1cccc(N2C[C@H](C)[C@@H](C[NH3+])C2)[nH+]1 ZINC000630568696 364265185 /nfs/dbraw/zinc/26/51/85/364265185.db2.gz IQEYYYMRSRHPBQ-ONGXEEELSA-N 2 1 205.305 1.421 10 0 BDAEMP CCc1nc(N2C[C@@H](C)[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000630569962 364266244 /nfs/dbraw/zinc/26/62/44/364266244.db2.gz LFUXLFNZHUTKTN-KOLCDFICSA-N 2 1 234.347 1.378 10 0 BDAEMP Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)nc(C)[nH+]1 ZINC000630533343 364224711 /nfs/dbraw/zinc/22/47/11/364224711.db2.gz CDAJVRXHSPRHFR-LDYMZIIASA-N 2 1 220.320 1.646 10 0 BDAEMP C[C@H]1CC[C@H](Nc2cc[nH+]cc2Cl)C[NH2+]1 ZINC000630533877 364227027 /nfs/dbraw/zinc/22/70/27/364227027.db2.gz GRASBVBDWGSNPJ-IUCAKERBSA-N 2 1 225.723 1.709 10 0 BDAEMP [NH3+]CCC[N@@H+](CCn1cccn1)C1CCCC1 ZINC000049313876 181380204 /nfs/dbraw/zinc/38/02/04/181380204.db2.gz CXSPMEFTTFGYBT-UHFFFAOYSA-N 2 1 236.363 1.477 10 0 BDAEMP Cc1cnccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000384906618 367754969 /nfs/dbraw/zinc/75/49/69/367754969.db2.gz AOVONUGZGRHLFE-BFHYXJOUSA-N 2 1 231.343 1.559 10 0 BDAEMP C[C@@H]([NH3+])[C@@H](C)C[N@H+]1CCCO[C@H](C)C1 ZINC000252842412 368163011 /nfs/dbraw/zinc/16/30/11/368163011.db2.gz COJAZENALVBDCJ-HBNTYKKESA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H](C[NH3+])[N@@H+]1CCS[C@H](C)C1 ZINC000252981485 368176746 /nfs/dbraw/zinc/17/67/46/368176746.db2.gz RHZIZUCMWYMLMZ-NXEZZACHSA-N 2 1 202.367 1.407 10 0 BDAEMP CC(C)[C@@H](C[NH3+])[N@H+]1CCS[C@H](C)C1 ZINC000252981485 368176752 /nfs/dbraw/zinc/17/67/52/368176752.db2.gz RHZIZUCMWYMLMZ-NXEZZACHSA-N 2 1 202.367 1.407 10 0 BDAEMP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CC1 ZINC000225935666 368367689 /nfs/dbraw/zinc/36/76/89/368367689.db2.gz YMTFUHMWLZUZGC-KGLIPLIRSA-N 2 1 216.328 1.856 10 0 BDAEMP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C1CC1 ZINC000225935666 368367694 /nfs/dbraw/zinc/36/76/94/368367694.db2.gz YMTFUHMWLZUZGC-KGLIPLIRSA-N 2 1 216.328 1.856 10 0 BDAEMP C[C@@H]1SCC[N@@H+]([C@@H]2CC[C@@H]([NH3+])C2)[C@H]1C ZINC000253069371 368444223 /nfs/dbraw/zinc/44/42/23/368444223.db2.gz LOMGLRAUQAZDOU-UKKRHICBSA-N 2 1 214.378 1.692 10 0 BDAEMP CC[C@](C)([NH3+])C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000253082044 368474587 /nfs/dbraw/zinc/47/45/87/368474587.db2.gz WVHZUMUUVYXTNU-MXWKQRLJSA-N 2 1 216.394 1.940 10 0 BDAEMP CC[C@](C)([NH3+])C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000253082044 368474591 /nfs/dbraw/zinc/47/45/91/368474591.db2.gz WVHZUMUUVYXTNU-MXWKQRLJSA-N 2 1 216.394 1.940 10 0 BDAEMP C[C@@H](C[N@H+]1CCS[C@H](C)C1)C1C[NH2+]C1 ZINC000253173311 368592602 /nfs/dbraw/zinc/59/26/02/368592602.db2.gz LMVBMUFPZSXZRZ-VHSXEESVSA-N 2 1 214.378 1.279 10 0 BDAEMP CC[C@@H]1C[NH2+]CC[C@]12[NH2+][C@H](C)CS2 ZINC000253286256 368913566 /nfs/dbraw/zinc/91/35/66/368913566.db2.gz OLJKSWSRCWNPRG-OPRDCNLKSA-N 2 1 200.351 1.427 10 0 BDAEMP CC[C@@H]1C[NH2+]CC[C@@]12[NH2+][C@H](C)CS2 ZINC000253286255 368913867 /nfs/dbraw/zinc/91/38/67/368913867.db2.gz OLJKSWSRCWNPRG-BBBLOLIVSA-N 2 1 200.351 1.427 10 0 BDAEMP CC[C@@H]1CS[C@@]2(CC[NH2+]C[C@H]2C)[NH2+]1 ZINC000253309904 368921683 /nfs/dbraw/zinc/92/16/83/368921683.db2.gz TWKRMKQMJBOARZ-OPRDCNLKSA-N 2 1 200.351 1.427 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226682587 371722804 /nfs/dbraw/zinc/72/28/04/371722804.db2.gz IIPXAMNNZDPWTK-OUAUKWLOSA-N 2 1 216.394 1.796 10 0 BDAEMP CC(C)[C@H]([NH3+])C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226682587 371722806 /nfs/dbraw/zinc/72/28/06/371722806.db2.gz IIPXAMNNZDPWTK-OUAUKWLOSA-N 2 1 216.394 1.796 10 0 BDAEMP C[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000227109746 371786080 /nfs/dbraw/zinc/78/60/80/371786080.db2.gz RXLVACGMDNXSAR-WCQYABFASA-N 2 1 204.317 1.856 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000227109746 371786082 /nfs/dbraw/zinc/78/60/82/371786082.db2.gz RXLVACGMDNXSAR-WCQYABFASA-N 2 1 204.317 1.856 10 0 BDAEMP CO[C@H]1C[N@@H+](C(C)(C)C[NH3+])CC[C@@H]1C ZINC000230225226 371873157 /nfs/dbraw/zinc/87/31/57/371873157.db2.gz SUWYMHPJJSKPPQ-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP CO[C@H]1C[N@H+](C(C)(C)C[NH3+])CC[C@@H]1C ZINC000230225226 371873162 /nfs/dbraw/zinc/87/31/62/371873162.db2.gz SUWYMHPJJSKPPQ-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@H+]1C1CC([NH3+])C1 ZINC000132790658 371923407 /nfs/dbraw/zinc/92/34/07/371923407.db2.gz SEDJDUKQKPQYHK-XHHQTKHESA-N 2 1 200.351 1.302 10 0 BDAEMP Cc1cc(C)n(CC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837066 372627407 /nfs/dbraw/zinc/62/74/07/372627407.db2.gz MJSHGBRMLQLKPE-GWCFXTLKSA-N 2 1 236.363 1.027 10 0 BDAEMP Cc1nccn1CCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837794 372629418 /nfs/dbraw/zinc/62/94/18/372629418.db2.gz FMFIYEACABBTIO-YPMHNXCESA-N 2 1 236.363 1.108 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837794 372629424 /nfs/dbraw/zinc/62/94/24/372629424.db2.gz FMFIYEACABBTIO-YPMHNXCESA-N 3 1 236.363 1.108 10 0 BDAEMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837794 372629432 /nfs/dbraw/zinc/62/94/32/372629432.db2.gz FMFIYEACABBTIO-YPMHNXCESA-N 3 1 236.363 1.108 10 0 BDAEMP Cc1ncc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000631838429 372630858 /nfs/dbraw/zinc/63/08/58/372630858.db2.gz OAIUVJNHVBPYEO-WPRPVWTQSA-N 2 1 225.361 1.478 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000631838326 372632276 /nfs/dbraw/zinc/63/22/76/372632276.db2.gz MBTKSTBJAZVMSZ-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000631838326 372632281 /nfs/dbraw/zinc/63/22/81/372632281.db2.gz MBTKSTBJAZVMSZ-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1C[NH3+] ZINC000631838268 372632426 /nfs/dbraw/zinc/63/24/26/372632426.db2.gz LIUJMOWURSBIFE-KBPBESRZSA-N 3 1 239.407 1.389 10 0 BDAEMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1C[NH3+] ZINC000631838268 372632429 /nfs/dbraw/zinc/63/24/29/372632429.db2.gz LIUJMOWURSBIFE-KBPBESRZSA-N 3 1 239.407 1.389 10 0 BDAEMP CCCC[C@H]([NH3+])C[N@H+](CCCOC)CCOC ZINC000042425451 169008850 /nfs/dbraw/zinc/00/88/50/169008850.db2.gz OHDJNMQNMHLZKR-ZDUSSCGKSA-N 2 1 246.395 1.489 10 0 BDAEMP CCCC[C@H]([NH3+])C[N@@H+](CCCOC)CCOC ZINC000042425451 169008852 /nfs/dbraw/zinc/00/88/52/169008852.db2.gz OHDJNMQNMHLZKR-ZDUSSCGKSA-N 2 1 246.395 1.489 10 0 BDAEMP O[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096964631 183241276 /nfs/dbraw/zinc/24/12/76/183241276.db2.gz AIBVRLNMXJWLIX-GJZGRUSLSA-N 2 1 246.354 1.233 10 0 BDAEMP CCC[N@H+](CCC[NH3+])CC(=O)NCCC(C)C ZINC000049283822 169156309 /nfs/dbraw/zinc/15/63/09/169156309.db2.gz SFPKETFATXZYIE-UHFFFAOYSA-N 2 1 243.395 1.210 10 0 BDAEMP CCC[N@@H+](CCC[NH3+])CC(=O)NCCC(C)C ZINC000049283822 169156312 /nfs/dbraw/zinc/15/63/12/169156312.db2.gz SFPKETFATXZYIE-UHFFFAOYSA-N 2 1 243.395 1.210 10 0 BDAEMP CCC[NH+]1CCC([NH2+][C@H](C)CC)(C(N)=O)CC1 ZINC000038064881 169189850 /nfs/dbraw/zinc/18/98/50/169189850.db2.gz CQTYISDZWZDQDS-LLVKDONJSA-N 2 1 241.379 1.104 10 0 BDAEMP c1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]23)ccn1 ZINC000049567828 183338007 /nfs/dbraw/zinc/33/80/07/183338007.db2.gz YXSFGQQPAFVCQS-UONOGXRCSA-N 2 1 231.343 1.450 10 0 BDAEMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]23)ccn1 ZINC000049567828 183338009 /nfs/dbraw/zinc/33/80/09/183338009.db2.gz YXSFGQQPAFVCQS-UONOGXRCSA-N 2 1 231.343 1.450 10 0 BDAEMP CCC[NH2+]C[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000053031552 169262416 /nfs/dbraw/zinc/26/24/16/169262416.db2.gz RWKNWISHXYYHHB-UONOGXRCSA-N 2 1 239.407 1.402 10 0 BDAEMP CCC[NH2+]Cc1cn(CC[N@@H+](C)CCC)nn1 ZINC000052444516 169269248 /nfs/dbraw/zinc/26/92/48/169269248.db2.gz HAARTBKNJILHOM-UHFFFAOYSA-N 2 1 239.367 1.120 10 0 BDAEMP CCC[NH2+][C@@H](C)CN1CC[N@@H+](C)[C@H](CC)C1 ZINC000082478000 169274952 /nfs/dbraw/zinc/27/49/52/169274952.db2.gz BUNBGMVQOCTYCO-QWHCGFSZSA-N 2 1 227.396 1.401 10 0 BDAEMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000068592952 384001233 /nfs/dbraw/zinc/00/12/33/384001233.db2.gz WLYLYILTBJZATP-YPMHNXCESA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000068592952 384001240 /nfs/dbraw/zinc/00/12/40/384001240.db2.gz WLYLYILTBJZATP-YPMHNXCESA-N 2 1 204.317 1.998 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000132999467 384219161 /nfs/dbraw/zinc/21/91/61/384219161.db2.gz OLWBVTNXHCLUPO-MCIONIFRSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000132999467 384219165 /nfs/dbraw/zinc/21/91/65/384219165.db2.gz OLWBVTNXHCLUPO-MCIONIFRSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000132999467 384219169 /nfs/dbraw/zinc/21/91/69/384219169.db2.gz OLWBVTNXHCLUPO-MCIONIFRSA-N 2 1 239.407 1.543 10 0 BDAEMP C[N@@H+](C1CC1)[C@]1(CN)CCCSC1 ZINC000061589997 384519244 /nfs/dbraw/zinc/51/92/44/384519244.db2.gz HQZBODJCPFLLHB-JTQLQIEISA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@H+](C1CC1)[C@]1(C[NH3+])CCCSC1 ZINC000061589997 384519247 /nfs/dbraw/zinc/51/92/47/384519247.db2.gz HQZBODJCPFLLHB-JTQLQIEISA-N 2 1 200.351 1.305 10 0 BDAEMP C[N@@H+](C1CC1)[C@]1(C[NH3+])CCCSC1 ZINC000061589997 384519249 /nfs/dbraw/zinc/51/92/49/384519249.db2.gz HQZBODJCPFLLHB-JTQLQIEISA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]C[C@@H]([NH3+])CC1=Cc2c(F)cccc2CC1 ZINC000141614698 384692048 /nfs/dbraw/zinc/69/20/48/384692048.db2.gz INTCZRUIKONFLU-NSHDSACASA-N 2 1 220.291 1.831 10 0 BDAEMP C[C@@H]([NH3+])c1ccc(C[NH+]2CCOCC2)cc1 ZINC000058019905 384980909 /nfs/dbraw/zinc/98/09/09/384980909.db2.gz BAHLGTSCZJNBCD-LLVKDONJSA-N 2 1 220.316 1.539 10 0 BDAEMP Cc1cnn(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000310752409 385156716 /nfs/dbraw/zinc/15/67/16/385156716.db2.gz KKDDEDDBFXMRDG-UHFFFAOYSA-N 2 1 248.374 1.408 10 0 BDAEMP Cc1cccc(N2CCC(C)([NH3+])CC2)[nH+]1 ZINC000643029112 385524429 /nfs/dbraw/zinc/52/44/29/385524429.db2.gz JDXQLNWJEHLGEL-UHFFFAOYSA-N 2 1 205.305 1.708 10 0 BDAEMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309669778 385783623 /nfs/dbraw/zinc/78/36/23/385783623.db2.gz VOFMATZCYDGFQG-AXFHLTTASA-N 2 1 223.320 1.211 10 0 BDAEMP CCc1nc(N(CC)CC[NH3+])cc(C)[nH+]1 ZINC000308918613 385908027 /nfs/dbraw/zinc/90/80/27/385908027.db2.gz JKFUIWXUFPFSKK-UHFFFAOYSA-N 2 1 208.309 1.132 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]12 ZINC000309405457 386008313 /nfs/dbraw/zinc/00/83/13/386008313.db2.gz VWBOUHQPOBLXMQ-FVCCEPFGSA-N 2 1 224.348 1.225 10 0 BDAEMP c1cn2c(n1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000062252215 386508088 /nfs/dbraw/zinc/50/80/88/386508088.db2.gz LOTVJZITHJBQCK-LBPRGKRZSA-N 2 1 234.347 1.088 10 0 BDAEMP c1cn2c(n1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000062252215 386508093 /nfs/dbraw/zinc/50/80/93/386508093.db2.gz LOTVJZITHJBQCK-LBPRGKRZSA-N 2 1 234.347 1.088 10 0 BDAEMP CCOC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396540656 386773061 /nfs/dbraw/zinc/77/30/61/386773061.db2.gz AKZYWZJLUFVPMR-GARJFASQSA-N 2 1 200.326 1.142 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCSC2)[C@@H]1C ZINC000575582759 387061408 /nfs/dbraw/zinc/06/14/08/387061408.db2.gz HPQJJGYVZZTTQK-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCSC2)[C@@H]1C ZINC000575582759 387061411 /nfs/dbraw/zinc/06/14/11/387061411.db2.gz HPQJJGYVZZTTQK-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCS2)[C@H]1C ZINC000575585804 387146495 /nfs/dbraw/zinc/14/64/95/387146495.db2.gz XMJQOFIOHQIRLF-UTLUCORTSA-N 2 1 200.351 1.032 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000306445652 387163708 /nfs/dbraw/zinc/16/37/08/387163708.db2.gz QZGVGLCNNAOBLE-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000306445652 387163715 /nfs/dbraw/zinc/16/37/15/387163715.db2.gz QZGVGLCNNAOBLE-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000400578351 387136600 /nfs/dbraw/zinc/13/66/00/387136600.db2.gz PRVYCXAZVJTPIO-SDDRHHMPSA-N 2 1 225.380 1.057 10 0 BDAEMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000400578351 387136604 /nfs/dbraw/zinc/13/66/04/387136604.db2.gz PRVYCXAZVJTPIO-SDDRHHMPSA-N 2 1 225.380 1.057 10 0 BDAEMP C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000400578353 387137233 /nfs/dbraw/zinc/13/72/33/387137233.db2.gz PRVYCXAZVJTPIO-WOPDTQHZSA-N 2 1 225.380 1.057 10 0 BDAEMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000400578353 387137237 /nfs/dbraw/zinc/13/72/37/387137237.db2.gz PRVYCXAZVJTPIO-WOPDTQHZSA-N 2 1 225.380 1.057 10 0 BDAEMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400595656 387198533 /nfs/dbraw/zinc/19/85/33/387198533.db2.gz VMNRLMSGUMZSRQ-OLZOCXBDSA-N 3 1 225.380 1.060 10 0 BDAEMP C[C@@H]1CS[C@@](C)([C@H]2CCC[NH2+]C2)[NH2+]1 ZINC000575518237 387436813 /nfs/dbraw/zinc/43/68/13/387436813.db2.gz RJTGZRDOQQLQQD-UTLUCORTSA-N 2 1 200.351 1.427 10 0 BDAEMP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000124045673 387601958 /nfs/dbraw/zinc/60/19/58/387601958.db2.gz IPBXABXIZGPSES-CHWSQXEVSA-N 2 1 236.363 1.264 10 0 BDAEMP CC[NH+](CC)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000119656376 387555661 /nfs/dbraw/zinc/55/56/61/387555661.db2.gz VGHWQMZJUYDPCV-UONOGXRCSA-N 2 1 239.407 1.497 10 0 BDAEMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000575549404 387647910 /nfs/dbraw/zinc/64/79/10/387647910.db2.gz JAWSPAWWGDYSII-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000575549404 387647912 /nfs/dbraw/zinc/64/79/12/387647912.db2.gz JAWSPAWWGDYSII-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000422839622 387729787 /nfs/dbraw/zinc/72/97/87/387729787.db2.gz QWVWDGJRQDMABL-HZSPNIEDSA-N 3 1 239.407 1.591 10 0 BDAEMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129242381 387766100 /nfs/dbraw/zinc/76/61/00/387766100.db2.gz JTFSAXRPFLLPIT-UONOGXRCSA-N 3 1 239.407 1.450 10 0 BDAEMP c1ccc2c(c1)CC[C@@H](C[NH2+][C@H]1CC[NH2+]C1)C2 ZINC000643477984 387803184 /nfs/dbraw/zinc/80/31/84/387803184.db2.gz MKEINKDSXIFKCE-DOMZBBRYSA-N 2 1 230.355 1.743 10 0 BDAEMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000423015969 387838924 /nfs/dbraw/zinc/83/89/24/387838924.db2.gz ARVQCSBVLOQORK-SRVKXCTJSA-N 2 1 226.364 1.532 10 0 BDAEMP C(C[NH2+][C@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000423035447 387850548 /nfs/dbraw/zinc/85/05/48/387850548.db2.gz JMQOXNJUHGTQBC-NWDGAFQWSA-N 2 1 212.337 1.287 10 0 BDAEMP C[C@H]1CC[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)O1 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0 BDAEMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086724706 388107471 /nfs/dbraw/zinc/10/74/71/388107471.db2.gz SLKNLMABKPWFTA-CHWSQXEVSA-N 3 1 227.396 1.448 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000335578715 388451708 /nfs/dbraw/zinc/45/17/08/388451708.db2.gz GCXZCVOTFOEJEK-ZJUUUORDSA-N 2 1 230.315 1.524 10 0 BDAEMP C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841055 388605012 /nfs/dbraw/zinc/60/50/12/388605012.db2.gz XNCBJRYFVSRNOG-WZRBSPASSA-N 2 1 219.332 1.669 10 0 BDAEMP Cc1cc(N2C[C@@H](C)[NH2+][C@H](C)C2)nc(C)[nH+]1 ZINC000053712410 132363680 /nfs/dbraw/zinc/36/36/80/132363680.db2.gz AAHPFQMFLWOHSQ-NXEZZACHSA-N 2 1 220.320 1.280 10 0 BDAEMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CCOCC3)[C@@H]2C1 ZINC000181161272 134336565 /nfs/dbraw/zinc/33/65/65/134336565.db2.gz PFGGGBODGHDURF-UONOGXRCSA-N 2 1 238.375 1.439 10 0 BDAEMP C[N@H+]1CC[C@H]2CC[NH+](CC3CCOCC3)[C@@H]2C1 ZINC000181161272 134336566 /nfs/dbraw/zinc/33/65/66/134336566.db2.gz PFGGGBODGHDURF-UONOGXRCSA-N 2 1 238.375 1.439 10 0 BDAEMP C[NH+]1CC[C@H]2CC[N@H+](CC3CCOCC3)[C@@H]2C1 ZINC000181161272 134336567 /nfs/dbraw/zinc/33/65/67/134336567.db2.gz PFGGGBODGHDURF-UONOGXRCSA-N 2 1 238.375 1.439 10 0 BDAEMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CCOCC3)[C@@H]2C1 ZINC000181161272 134336568 /nfs/dbraw/zinc/33/65/68/134336568.db2.gz PFGGGBODGHDURF-UONOGXRCSA-N 2 1 238.375 1.439 10 0 BDAEMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC([NH3+])CC1 ZINC000226340577 134360789 /nfs/dbraw/zinc/36/07/89/134360789.db2.gz VLHGMRXHXFBCEJ-UHFFFAOYSA-N 3 1 227.396 1.576 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000250614804 135056174 /nfs/dbraw/zinc/05/61/74/135056174.db2.gz IGLRCYNAQNZXFJ-FRRDWIJNSA-N 2 1 226.364 1.485 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000250614804 135056176 /nfs/dbraw/zinc/05/61/76/135056176.db2.gz IGLRCYNAQNZXFJ-FRRDWIJNSA-N 2 1 226.364 1.485 10 0 BDAEMP CC(C)C[C@H]([NH3+])CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000251824881 135082496 /nfs/dbraw/zinc/08/24/96/135082496.db2.gz PDZDUOCVKGKLNC-MELADBBJSA-N 2 1 239.407 1.528 10 0 BDAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCC[NH+](C)C ZINC000252660685 135094222 /nfs/dbraw/zinc/09/42/22/135094222.db2.gz BYFDFENOWKMFSE-KBPBESRZSA-N 2 1 239.407 1.497 10 0 BDAEMP CC1(C)C[N@@H+](C[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261535936 135170267 /nfs/dbraw/zinc/17/02/67/135170267.db2.gz PSYRUYYZQBUXTL-QWRGUYRKSA-N 2 1 212.337 1.082 10 0 BDAEMP CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000261536819 135173147 /nfs/dbraw/zinc/17/31/47/135173147.db2.gz TUZZSACGNHGNGW-NEPJUHHUSA-N 2 1 208.349 1.718 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@@H]12 ZINC000261540380 135179501 /nfs/dbraw/zinc/17/95/01/135179501.db2.gz ABGSWHXDBBNZJO-CYZMBNFOSA-N 2 1 235.306 1.390 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@@H]12 ZINC000261540380 135179503 /nfs/dbraw/zinc/17/95/03/135179503.db2.gz ABGSWHXDBBNZJO-CYZMBNFOSA-N 2 1 235.306 1.390 10 0 BDAEMP CCc1cc(NC[C@@H]([NH3+])CC)nc(C)[nH+]1 ZINC000084082150 135182912 /nfs/dbraw/zinc/18/29/12/135182912.db2.gz NEQCMWTUXNBZPV-VIFPVBQESA-N 2 1 208.309 1.497 10 0 BDAEMP Cc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261548621 135187709 /nfs/dbraw/zinc/18/77/09/135187709.db2.gz JUJABPZKVBMDDT-LBPRGKRZSA-N 2 1 236.363 1.288 10 0 BDAEMP Cc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261548621 135187711 /nfs/dbraw/zinc/18/77/11/135187711.db2.gz JUJABPZKVBMDDT-LBPRGKRZSA-N 2 1 236.363 1.288 10 0 BDAEMP CC1(C)C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000261581406 135222186 /nfs/dbraw/zinc/22/21/86/135222186.db2.gz NOKDPXUKKHIHEZ-NEPJUHHUSA-N 2 1 226.364 1.472 10 0 BDAEMP CC1(C)C[N@@H+](CCOCC2CC2)CC[C@H]1[NH3+] ZINC000261604664 135237750 /nfs/dbraw/zinc/23/77/50/135237750.db2.gz AKDSOIQAHZTLLM-GFCCVEGCSA-N 2 1 226.364 1.472 10 0 BDAEMP CC1(C)C[N@@H+](CCc2cccnc2)CC[C@@H]1[NH3+] ZINC000261547877 135241083 /nfs/dbraw/zinc/24/10/83/135241083.db2.gz ITQZJDXIIWEMDL-ZDUSSCGKSA-N 2 1 233.359 1.683 10 0 BDAEMP C(CC1CC1)[NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261873315 135258887 /nfs/dbraw/zinc/25/88/87/135258887.db2.gz DKHDHUPQHNHGDO-HZSPNIEDSA-N 2 1 238.375 1.533 10 0 BDAEMP CCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC[NH3+] ZINC000584627188 398080226 /nfs/dbraw/zinc/08/02/26/398080226.db2.gz OSLMDZNWBSEOON-HNNXBMFYSA-N 2 1 247.386 1.542 10 0 BDAEMP C(C1CC1)[N@@H+](C1CC[NH2+]CC1)C1CCOCC1 ZINC000409433858 398086303 /nfs/dbraw/zinc/08/63/03/398086303.db2.gz NOMXVFFDBMKVTR-UHFFFAOYSA-N 2 1 238.375 1.629 10 0 BDAEMP CC(C)C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)N(C)C ZINC000128921835 398098196 /nfs/dbraw/zinc/09/81/96/398098196.db2.gz YKSBFQYETXTMBS-KBPBESRZSA-N 2 1 241.423 1.694 10 0 BDAEMP CC(C)C[NH2+]C[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000053031281 167007595 /nfs/dbraw/zinc/00/75/95/167007595.db2.gz ABWHYHXEDWWIEG-CYBMUJFWSA-N 2 1 240.391 1.733 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000053031037 167115596 /nfs/dbraw/zinc/11/55/96/167115596.db2.gz ZQXRVKXVOOJHFB-CYBMUJFWSA-N 2 1 239.407 1.401 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000053031037 167115598 /nfs/dbraw/zinc/11/55/98/167115598.db2.gz ZQXRVKXVOOJHFB-CYBMUJFWSA-N 2 1 239.407 1.401 10 0 BDAEMP Cc1cc(NC[C@@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000070010746 410257200 /nfs/dbraw/zinc/25/72/00/410257200.db2.gz GBIAMZMTKSIRNY-SNVBAGLBSA-N 2 1 208.309 1.489 10 0 BDAEMP CC(C)[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCCC1 ZINC000061711817 167100090 /nfs/dbraw/zinc/10/00/90/167100090.db2.gz BLVGFSRIYOEVRE-ZDUSSCGKSA-N 2 1 240.391 1.611 10 0 BDAEMP CC(C)[NH2+]CCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940640 167101945 /nfs/dbraw/zinc/10/19/45/167101945.db2.gz NXZQUBHIMWZEJN-CQSZACIVSA-N 2 1 239.407 1.545 10 0 BDAEMP C[C@H]([NH3+])CNc1[nH+]c2ccc(F)cc2n1C ZINC000212503247 411147441 /nfs/dbraw/zinc/14/74/41/411147441.db2.gz XSNPZXVGGNZDSD-ZETCQYMHSA-N 2 1 222.267 1.472 10 0 BDAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000653776978 411167011 /nfs/dbraw/zinc/16/70/11/411167011.db2.gz GRFRIMGAOIQHOG-UMSGYPCISA-N 2 1 226.364 1.077 10 0 BDAEMP CC1CCC([N@H+](C)[C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000042487664 168159776 /nfs/dbraw/zinc/15/97/76/168159776.db2.gz TUONTXOLZJYWOC-IFWUJCSASA-N 2 1 226.364 1.613 10 0 BDAEMP CC1CCC([N@@H+](C)[C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000042487664 168159777 /nfs/dbraw/zinc/15/97/77/168159777.db2.gz TUONTXOLZJYWOC-IFWUJCSASA-N 2 1 226.364 1.613 10 0 BDAEMP CC[N@H+]1CCc2nc([C@H](C)C[NH3+])sc2C1 ZINC000054158358 170024877 /nfs/dbraw/zinc/02/48/77/170024877.db2.gz FWKZXXYWKMTXEE-MRVPVSSYSA-N 2 1 225.361 1.583 10 0 BDAEMP CC[NH2+]CC1(C[N@@H+](CCO)C2CC2)CCCC1 ZINC000051284938 170110594 /nfs/dbraw/zinc/11/05/94/170110594.db2.gz VTZFLRQTOORUGP-UHFFFAOYSA-N 2 1 240.391 1.613 10 0 BDAEMP CC[NH2+]C[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000053031550 170120257 /nfs/dbraw/zinc/12/02/57/170120257.db2.gz YISYBFAIBZHMCQ-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[NH2+]C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598709 170121877 /nfs/dbraw/zinc/12/18/77/170121877.db2.gz SQUDYMVLLXOWPL-GJZGRUSLSA-N 2 1 248.370 1.446 10 0 BDAEMP CC[NH2+]C[C@]1(C[N@@H+](CC)CC(C)C)CCOC1 ZINC000051214904 170123606 /nfs/dbraw/zinc/12/36/06/170123606.db2.gz JUWUSUGYFLIKJA-AWEZNQCLSA-N 2 1 242.407 1.981 10 0 BDAEMP CC[NH2+][C@@H](C)[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940535 170141436 /nfs/dbraw/zinc/14/14/36/170141436.db2.gz NLXKLYGMYQMCPH-MELADBBJSA-N 2 1 239.407 1.543 10 0 BDAEMP CC[NH2+][C@@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000062524136 170145426 /nfs/dbraw/zinc/14/54/26/170145426.db2.gz XAUZPWBAYTVBBY-RYUDHWBXSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[NH2+][C@@H](CC[N@@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000062524136 170145428 /nfs/dbraw/zinc/14/54/28/170145428.db2.gz XAUZPWBAYTVBBY-RYUDHWBXSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](CC)CCO ZINC000053869609 170153189 /nfs/dbraw/zinc/15/31/89/170153189.db2.gz RUKKHNHUGFUSGS-MGPQQGTHSA-N 2 1 242.407 1.715 10 0 BDAEMP CC[NH2+][C@H](C)CCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000104125952 170157262 /nfs/dbraw/zinc/15/72/62/170157262.db2.gz CIFVQVSGXIXGKL-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP CCOCC[N@@H+](CC)Cc1cccnc1C[NH3+] ZINC000104191944 170395677 /nfs/dbraw/zinc/39/56/77/170395677.db2.gz ZJCLXQMLEZLHQR-UHFFFAOYSA-N 2 1 237.347 1.399 10 0 BDAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCCC1 ZINC000310326571 487624271 /nfs/dbraw/zinc/62/42/71/487624271.db2.gz ARPKKOXWZYXYDQ-OCCSQVGLSA-N 2 1 242.407 1.856 10 0 BDAEMP CCn1cc[nH+]c1N1CCC[C@@H]1C[NH2+]C ZINC000053703916 172225871 /nfs/dbraw/zinc/22/58/71/172225871.db2.gz BMVNCDVESGZLNW-SNVBAGLBSA-N 2 1 208.309 1.091 10 0 BDAEMP CCn1ncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC000020315772 172254914 /nfs/dbraw/zinc/25/49/14/172254914.db2.gz GLJONQFMFZLLRZ-GFCCVEGCSA-N 2 1 236.363 1.382 10 0 BDAEMP CCn1ncc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC000020315772 172254916 /nfs/dbraw/zinc/25/49/16/172254916.db2.gz GLJONQFMFZLLRZ-GFCCVEGCSA-N 2 1 236.363 1.382 10 0 BDAEMP C[N@H+](CCc1ccccn1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000020260813 172787173 /nfs/dbraw/zinc/78/71/73/172787173.db2.gz FPPZZYDKWREJNE-KBPBESRZSA-N 2 1 233.359 1.826 10 0 BDAEMP C[N@@H+](CCc1ccccn1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000020260813 172787175 /nfs/dbraw/zinc/78/71/75/172787175.db2.gz FPPZZYDKWREJNE-KBPBESRZSA-N 2 1 233.359 1.826 10 0 BDAEMP C[N@@H+]1CCCC[C@@H]1CNC1=[NH+]CCS1 ZINC000044563787 173004110 /nfs/dbraw/zinc/00/41/10/173004110.db2.gz GTZBDVFGWZDXCH-SECBINFHSA-N 2 1 213.350 1.163 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CNC1=[NH+]CCS1 ZINC000044563787 173004111 /nfs/dbraw/zinc/00/41/11/173004111.db2.gz GTZBDVFGWZDXCH-SECBINFHSA-N 2 1 213.350 1.163 10 0 BDAEMP Cn1cc[nH+]c1NC[C@H]1CCCC[N@H+]1C ZINC000050606573 173005870 /nfs/dbraw/zinc/00/58/70/173005870.db2.gz FQKDKLYWGFQDIF-SNVBAGLBSA-N 2 1 208.309 1.316 10 0 BDAEMP C[N@H+]1CCCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000020260659 173016751 /nfs/dbraw/zinc/01/67/51/173016751.db2.gz WHHGOZYMEGSVDH-UONOGXRCSA-N 2 1 239.407 1.674 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000037484582 173114032 /nfs/dbraw/zinc/11/40/32/173114032.db2.gz NAKWAEXAEZIFHO-LBPRGKRZSA-N 2 1 222.307 1.867 10 0 BDAEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000037484733 173117388 /nfs/dbraw/zinc/11/73/88/173117388.db2.gz RUEJIICDVRSOHE-NSHDSACASA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000037484733 173117390 /nfs/dbraw/zinc/11/73/90/173117390.db2.gz RUEJIICDVRSOHE-NSHDSACASA-N 2 1 205.305 1.123 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484645 173118253 /nfs/dbraw/zinc/11/82/53/173118253.db2.gz ANVSYDBDWAVSLZ-LBPRGKRZSA-N 2 1 205.305 1.123 10 0 BDAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])C1CCCC1 ZINC000071188366 173142522 /nfs/dbraw/zinc/14/25/22/173142522.db2.gz FAKXZEFAZHFVII-JSGCOSHPSA-N 2 1 239.407 1.387 10 0 BDAEMP C[N@H+]1CC[C@H](n2c(N)[nH+]c3cc(F)ccc32)C1 ZINC000042548506 173157873 /nfs/dbraw/zinc/15/78/73/173157873.db2.gz ZBLJVSTTXOBIMW-VIFPVBQESA-N 2 1 234.278 1.634 10 0 BDAEMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCC[C@@H]3O)C2)C1 ZINC000310464746 173166652 /nfs/dbraw/zinc/16/66/52/173166652.db2.gz ZAIUNIFATQGSIC-IHRRRGAJSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCC[C@@H]3O)C2)C1 ZINC000310464746 173166655 /nfs/dbraw/zinc/16/66/55/173166655.db2.gz ZAIUNIFATQGSIC-IHRRRGAJSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCC[C@@H]3O)C2)C1 ZINC000310464746 173166657 /nfs/dbraw/zinc/16/66/57/173166657.db2.gz ZAIUNIFATQGSIC-IHRRRGAJSA-N 2 1 238.375 1.318 10 0 BDAEMP C[NH2+]C1CC[NH+]([C@H](C)Cc2ccco2)CC1 ZINC000042590192 173324100 /nfs/dbraw/zinc/32/41/00/173324100.db2.gz JIFSTSIOJBEONV-LLVKDONJSA-N 2 1 222.332 1.894 10 0 BDAEMP C[NH2+]CC1(C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180461 173337356 /nfs/dbraw/zinc/33/73/56/173337356.db2.gz XCCBMCOCWKGERK-GFCCVEGCSA-N 2 1 226.364 1.487 10 0 BDAEMP C[NH2+]CC1(C[N@@H+](C)C[C@H]2C[C@@H]2C)CCOCC1 ZINC000104426970 173337863 /nfs/dbraw/zinc/33/78/63/173337863.db2.gz VTQKSXHILCSAMH-QWHCGFSZSA-N 2 1 240.391 1.590 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000040591865 173368264 /nfs/dbraw/zinc/36/82/64/173368264.db2.gz UIIDTAQZXSJCRP-LBPRGKRZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000040591865 173368265 /nfs/dbraw/zinc/36/82/65/173368265.db2.gz UIIDTAQZXSJCRP-LBPRGKRZSA-N 3 1 225.380 1.012 10 0 BDAEMP C[NH2+]C[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000049328865 173379139 /nfs/dbraw/zinc/37/91/39/173379139.db2.gz QTMQGLHERVDOEL-CYBMUJFWSA-N 3 1 236.363 1.205 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)o2)C1 ZINC000053038776 173382294 /nfs/dbraw/zinc/38/22/94/173382294.db2.gz YMZHHROTOHGOIP-LLVKDONJSA-N 2 1 208.305 1.629 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000053038776 173382296 /nfs/dbraw/zinc/38/22/96/173382296.db2.gz YMZHHROTOHGOIP-LLVKDONJSA-N 2 1 208.305 1.629 10 0 BDAEMP C[NH2+]Cc1cc(OCC[C@@H]2CCC[N@H+]2C)ccn1 ZINC000051549407 173387248 /nfs/dbraw/zinc/38/72/48/173387248.db2.gz JJVOVTDTUZNRPV-ZDUSSCGKSA-N 2 1 249.358 1.664 10 0 BDAEMP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000037758703 173390789 /nfs/dbraw/zinc/39/07/89/173390789.db2.gz WPCQFVQXJATLIO-GFCCVEGCSA-N 2 1 247.342 1.296 10 0 BDAEMP C[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382725 173390810 /nfs/dbraw/zinc/39/08/10/173390810.db2.gz NVAUYYPWBNSCJD-GFCCVEGCSA-N 2 1 234.343 1.627 10 0 BDAEMP C[NH2+]Cc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382725 173390811 /nfs/dbraw/zinc/39/08/11/173390811.db2.gz NVAUYYPWBNSCJD-GFCCVEGCSA-N 2 1 234.343 1.627 10 0 BDAEMP COCC[N@@H+](CCC[NH3+])Cc1ccccc1C ZINC000071225097 174291253 /nfs/dbraw/zinc/29/12/53/174291253.db2.gz SUBXJYSCXBFWNM-UHFFFAOYSA-N 2 1 236.359 1.792 10 0 BDAEMP COc1ccc([C@H]([NH3+])Cn2cc[nH+]c2C)cc1 ZINC000038808944 175191709 /nfs/dbraw/zinc/19/17/09/175191709.db2.gz HFIZXPFMMUMEOK-CYBMUJFWSA-N 2 1 231.299 1.900 10 0 BDAEMP COc1ccccc1C[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042441504 175324742 /nfs/dbraw/zinc/32/47/42/175324742.db2.gz KVFBNVVHHBUMAG-NSHDSACASA-N 2 1 222.332 1.722 10 0 BDAEMP C[C@@H](CCCC[NH3+])[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000336729943 175662671 /nfs/dbraw/zinc/66/26/71/175662671.db2.gz XRNUYJLUGSEBNK-JTQLQIEISA-N 2 1 232.331 1.914 10 0 BDAEMP C[C@@H]1CCCC[C@@]1(CO)[N@H+]1CCC[NH2+]CC1 ZINC000038117155 176083948 /nfs/dbraw/zinc/08/39/48/176083948.db2.gz LSGWHPNZUDXHFK-OLZOCXBDSA-N 2 1 226.364 1.223 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2cccnc2C[NH3+])CC(C)(C)O1 ZINC000061656887 176308208 /nfs/dbraw/zinc/30/82/08/176308208.db2.gz ZCSUEIJJTJALHI-LLVKDONJSA-N 2 1 249.358 1.540 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cccnc2C[NH3+])CC(C)(C)O1 ZINC000061656887 176308210 /nfs/dbraw/zinc/30/82/10/176308210.db2.gz ZCSUEIJJTJALHI-LLVKDONJSA-N 2 1 249.358 1.540 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccco1 ZINC000049713511 176371770 /nfs/dbraw/zinc/37/17/70/176371770.db2.gz XWEXJWSWUAWTBN-MNOVXSKESA-N 2 1 208.305 1.634 10 0 BDAEMP C[C@H]1CCCC[N@H+]1CCCNCC[NH+](C)C ZINC000020047847 177074515 /nfs/dbraw/zinc/07/45/15/177074515.db2.gz WFZLNRHTTHZHNK-ZDUSSCGKSA-N 2 1 227.396 1.402 10 0 BDAEMP C[C@H]1CCC[C@@](CO)([N@H+]2CCC[NH2+]CC2)C1 ZINC000038117166 177127431 /nfs/dbraw/zinc/12/74/31/177127431.db2.gz NDPXRTUBVKDYQV-QWHCGFSZSA-N 2 1 226.364 1.223 10 0 BDAEMP C[C@H]1C[N@@H+]([C@]2(C[NH3+])CCCSC2)CCCO1 ZINC000061915884 177276475 /nfs/dbraw/zinc/27/64/75/177276475.db2.gz YZJZPZXMQMNGDC-RYUDHWBXSA-N 2 1 244.404 1.322 10 0 BDAEMP C[C@H]1C[N@H+]([C@]2(C[NH3+])CCCSC2)CCCO1 ZINC000061915884 177276476 /nfs/dbraw/zinc/27/64/76/177276476.db2.gz YZJZPZXMQMNGDC-RYUDHWBXSA-N 2 1 244.404 1.322 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@H+](C2CCOCC2)C1 ZINC000049666383 177281662 /nfs/dbraw/zinc/28/16/62/177281662.db2.gz LOLIJQXZFZVTTO-NSHDSACASA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@H]1CSC(NC[C@H]2CCC[N@@H+](C)C2)=[NH+]1 ZINC000044538332 177302918 /nfs/dbraw/zinc/30/29/18/177302918.db2.gz LHHKXIFFQPXGAT-VHSXEESVSA-N 2 1 227.377 1.409 10 0 BDAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000044518812 177326512 /nfs/dbraw/zinc/32/65/12/177326512.db2.gz CQDAQLZPHNAMQF-AAEUAGOBSA-N 3 1 225.380 1.140 10 0 BDAEMP CC[C@@H]1CN(c2cccc(C)[nH+]2)CC[C@H]1[NH3+] ZINC000251917182 487807750 /nfs/dbraw/zinc/80/77/50/487807750.db2.gz YFGMBFXCVISTPZ-VXGBXAGGSA-N 2 1 219.332 1.954 10 0 BDAEMP C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666770 487862564 /nfs/dbraw/zinc/86/25/64/487862564.db2.gz QRZPYRYCLKTNFE-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000570515671 323061560 /nfs/dbraw/zinc/06/15/60/323061560.db2.gz NROIECFBRJLLSK-RWMBFGLXSA-N 2 1 226.364 1.079 10 0 BDAEMP C[C@H]1CC[C@H](O)C[N@H+]1CCCn1ccnc1 ZINC000399303306 323203473 /nfs/dbraw/zinc/20/34/73/323203473.db2.gz XZWCEWHHJCOVRZ-RYUDHWBXSA-N 2 1 223.320 1.118 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)[C@@H]1CCCO1 ZINC000396615112 323394050 /nfs/dbraw/zinc/39/40/50/323394050.db2.gz SCECPDZUQGNGNQ-BJDJZHNGSA-N 2 1 212.337 1.284 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566732239 326076804 /nfs/dbraw/zinc/07/68/04/326076804.db2.gz LIQXWTIHPMPEHH-MCIONIFRSA-N 2 1 239.407 1.448 10 0 BDAEMP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566732239 326076803 /nfs/dbraw/zinc/07/68/03/326076803.db2.gz LIQXWTIHPMPEHH-MCIONIFRSA-N 2 1 239.407 1.448 10 0 BDAEMP C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000567647777 326238222 /nfs/dbraw/zinc/23/82/22/326238222.db2.gz ZEHQDWGCMFUOIB-ZYHUDNBSSA-N 2 1 208.305 1.757 10 0 BDAEMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400756223 487986268 /nfs/dbraw/zinc/98/62/68/487986268.db2.gz XAMYSXOPQAWTNH-XQQFMLRXSA-N 2 1 225.380 1.058 10 0 BDAEMP CCCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400756223 487986274 /nfs/dbraw/zinc/98/62/74/487986274.db2.gz XAMYSXOPQAWTNH-XQQFMLRXSA-N 2 1 225.380 1.058 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC(C)(C)[NH3+] ZINC000092629569 488099224 /nfs/dbraw/zinc/09/92/24/488099224.db2.gz PKKRGZPIEQONOH-NSHDSACASA-N 2 1 241.379 1.057 10 0 BDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CC=CC3)C[C@@H]12 ZINC000662266477 487502425 /nfs/dbraw/zinc/50/24/25/487502425.db2.gz MFMSNEHIPHBSIS-YNEHKIRRSA-N 2 1 206.333 1.622 10 0 BDAEMP CC(C)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304507659 487508805 /nfs/dbraw/zinc/50/88/05/487508805.db2.gz DBWWZNDKKOHXQP-OLZOCXBDSA-N 2 1 225.380 1.010 10 0 BDAEMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000258868632 488140113 /nfs/dbraw/zinc/14/01/13/488140113.db2.gz FWSXLDUBVWBLIR-CQSZACIVSA-N 2 1 218.344 1.797 10 0 BDAEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@H+]1C ZINC000303392601 491114925 /nfs/dbraw/zinc/11/49/25/491114925.db2.gz CVOBEPYWGUCVMW-GRYCIOLGSA-N 2 1 228.380 1.466 10 0 BDAEMP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309720134 491154940 /nfs/dbraw/zinc/15/49/40/491154940.db2.gz VSECOBWYJIDKSG-WCQYABFASA-N 2 1 226.364 1.221 10 0 BDAEMP C1CC[C@H]2[NH2+]C3(CC[NH2+]CC3)OC[C@@H]2C1 ZINC000757138673 582518341 /nfs/dbraw/zinc/51/83/41/582518341.db2.gz CYVQUGFXWWUVOL-WDEREUQCSA-N 2 1 210.321 1.245 10 0 BDAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757143774 582524097 /nfs/dbraw/zinc/52/40/97/582524097.db2.gz FHIJTIQPWQTGND-LBPRGKRZSA-N 2 1 212.337 1.587 10 0 BDAEMP CC[C@]1(C)CCO[C@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757146325 582529866 /nfs/dbraw/zinc/52/98/66/582529866.db2.gz KOOCTDPSEOUFND-OLZOCXBDSA-N 2 1 226.364 1.977 10 0 BDAEMP CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C[C@H]1C ZINC000252475103 519863577 /nfs/dbraw/zinc/86/35/77/519863577.db2.gz SQJDAGSKCKFRLK-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP C[NH2+]C[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000040601881 536465834 /nfs/dbraw/zinc/46/58/34/536465834.db2.gz RIYJCFBKCZIFSC-GFCCVEGCSA-N 2 1 219.332 1.826 10 0 BDAEMP COC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527672 536524341 /nfs/dbraw/zinc/52/43/41/536524341.db2.gz FPYSCQJXVUOPEQ-ZJUUUORDSA-N 2 1 200.326 1.081 10 0 BDAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400383876 528112774 /nfs/dbraw/zinc/11/27/74/528112774.db2.gz LGKQJQKLRRWBEC-OLZOCXBDSA-N 3 1 227.396 1.306 10 0 BDAEMP CC[N@@H+](CCN[C@@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400501621 528513397 /nfs/dbraw/zinc/51/33/97/528513397.db2.gz GWMPPTWFWQULMT-NWDGAFQWSA-N 2 1 225.380 1.058 10 0 BDAEMP CCN(CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400501621 528513400 /nfs/dbraw/zinc/51/34/00/528513400.db2.gz GWMPPTWFWQULMT-NWDGAFQWSA-N 2 1 225.380 1.058 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400591210 529081884 /nfs/dbraw/zinc/08/18/84/529081884.db2.gz UJRHMRDPKHDCKR-FRRDWIJNSA-N 2 1 225.380 1.058 10 0 BDAEMP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400591210 529081887 /nfs/dbraw/zinc/08/18/87/529081887.db2.gz UJRHMRDPKHDCKR-FRRDWIJNSA-N 2 1 225.380 1.058 10 0 BDAEMP CCOc1cccc([C@@H]2C[NH2+]C[C@@]2([NH3+])CC)c1 ZINC000725262844 538089478 /nfs/dbraw/zinc/08/94/78/538089478.db2.gz ZEESSATXXNMXMN-KBPBESRZSA-N 2 1 234.343 1.880 10 0 BDAEMP COC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757132882 582508419 /nfs/dbraw/zinc/50/84/19/582508419.db2.gz SAJSDWULDDOACN-XQQFMLRXSA-N 2 1 226.364 1.628 10 0 BDAEMP CCOCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757134908 582513166 /nfs/dbraw/zinc/51/31/66/582513166.db2.gz XJWJTZJYYXDNPF-ZDUSSCGKSA-N 2 1 226.364 1.631 10 0 BDAEMP C1CCC2(C1)C[NH2+]C1(C[C@H]3CC[C@@H](C1)[NH2+]3)OC2 ZINC000757140153 582520455 /nfs/dbraw/zinc/52/04/55/582520455.db2.gz JFXNBSHSIYRESF-ONXXMXGDSA-N 2 1 236.359 1.777 10 0 BDAEMP CC(C)(C)[C@@H]1C[NH2+]C2(CC[NH2+]CC2)OC1 ZINC000757142716 582523006 /nfs/dbraw/zinc/52/30/06/582523006.db2.gz DGHJVOBKULYNEM-SNVBAGLBSA-N 2 1 212.337 1.348 10 0 BDAEMP [NH3+]C[C@H]1C[C@@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757218618 582561779 /nfs/dbraw/zinc/56/17/79/582561779.db2.gz VIWITIWZQKFIFR-DTWKUNHWSA-N 2 1 224.329 1.355 10 0 BDAEMP [NH3+][C@H]1C[NH2+]C[C@H](c2cccc3cc[nH]c32)C1 ZINC000757217810 582561980 /nfs/dbraw/zinc/56/19/80/582561980.db2.gz SNRCLOWWJLILMO-GHMZBOCLSA-N 2 1 215.300 1.572 10 0 BDAEMP CC(=O)c1ccc([C@@H]2CC[NH2+][C@@H](C[NH3+])C2)cc1 ZINC000757216881 582562069 /nfs/dbraw/zinc/56/20/69/582562069.db2.gz QRVJTOUPOSEDHZ-ZIAGYGMSSA-N 2 1 232.327 1.684 10 0 BDAEMP Nc1cccc([C@@H]2CC[C@H](C[NH3+])[NH2+]C2)c1 ZINC000757218552 582562765 /nfs/dbraw/zinc/56/27/65/582562765.db2.gz WABHZXWLJGDTIV-ZYHUDNBSSA-N 2 1 205.305 1.063 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1N ZINC000702458516 582926476 /nfs/dbraw/zinc/92/64/76/582926476.db2.gz BLNWSIHZWNCONY-SNVBAGLBSA-N 2 1 208.309 1.340 10 0 BDAEMP C[C@@H]1C[C@@H](c2ccc(C[NH3+])cc2)[NH2+]C[C@@H]1[NH3+] ZINC000757206570 586437165 /nfs/dbraw/zinc/43/71/65/586437165.db2.gz AFUKMPHIORNNIF-ICCXJUOJSA-N 3 1 219.332 1.143 10 0 BDAEMP C[C@@H]1[NH2+][C@@H](c2cccc(C[NH3+])c2)CC[C@@H]1[NH3+] ZINC000757211815 586439064 /nfs/dbraw/zinc/43/90/64/586439064.db2.gz IUONSDWSEARGKW-TVYUQYBPSA-N 3 1 219.332 1.286 10 0 BDAEMP CC(=O)c1ccc([C@H]2CC[C@@H](C[NH3+])[NH2+]C2)cc1 ZINC000757215399 586440821 /nfs/dbraw/zinc/44/08/21/586440821.db2.gz NJSNLLNRFBCQGS-KBPBESRZSA-N 2 1 232.327 1.684 10 0 BDAEMP Cc1ccc(N)cc1[C@H]1CC[C@@H]([NH3+])C[NH2+]1 ZINC000757236250 586443685 /nfs/dbraw/zinc/44/36/85/586443685.db2.gz NSAOPYPCUNZMRL-ZYHUDNBSSA-N 2 1 205.305 1.329 10 0 BDAEMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000129161091 591267202 /nfs/dbraw/zinc/26/72/02/591267202.db2.gz CWAMDSHSKZRHIR-UONOGXRCSA-N 2 1 239.407 1.593 10 0 BDAEMP C[NH2+]C[C@@H]1CCCCN1c1cc[nH+]c(N(C)C)n1 ZINC000085432130 631457998 /nfs/dbraw/zinc/45/79/98/631457998.db2.gz ZILGEQIQOOKMCQ-NSHDSACASA-N 2 1 249.362 1.121 10 0 BDAEMP CCCCOC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000227911220 640853421 /nfs/dbraw/zinc/85/34/21/640853421.db2.gz UBJOVYJYZLQAIC-LBPRGKRZSA-N 2 1 246.395 1.081 10 0 BDAEMP CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(N)n2)C1 ZINC000060452621 641177607 /nfs/dbraw/zinc/17/76/07/641177607.db2.gz MWHHXDVXDOVXTI-SNVBAGLBSA-N 2 1 235.335 1.263 10 0 BDAEMP CC[NH+]1CCC2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757149051 643333968 /nfs/dbraw/zinc/33/39/68/643333968.db2.gz VUYUBRWEQRLORE-SECBINFHSA-N 2 1 234.290 1.442 10 0 BDAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757151923 643340827 /nfs/dbraw/zinc/34/08/27/643340827.db2.gz RYHMUOADDIHUGS-CHWSQXEVSA-N 2 1 224.348 1.587 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000082645568 643362796 /nfs/dbraw/zinc/36/27/96/643362796.db2.gz VRYJPWNQEQQBLN-SRVKXCTJSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H]1[NH2+][C@H](c2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000757211077 643371892 /nfs/dbraw/zinc/37/18/92/643371892.db2.gz FTRVCMCNEZFCAU-UWJYBYFXSA-N 2 1 205.305 1.409 10 0 BDAEMP CCc1cc(NCC2CC([NH3+])C2)nc(C)[nH+]1 ZINC000084447958 643663677 /nfs/dbraw/zinc/66/36/77/643663677.db2.gz QEKAQDVAUDCQIH-UHFFFAOYSA-N 2 1 220.320 1.497 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000685946287 644517887 /nfs/dbraw/zinc/51/78/87/644517887.db2.gz NCZNFOVODVZZLY-NWDGAFQWSA-N 2 1 208.280 1.620 10 0 BDAEMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000052381449 644536862 /nfs/dbraw/zinc/53/68/62/644536862.db2.gz LKDCRPDCBHJTHI-TUAOUCFPSA-N 2 1 212.337 1.225 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000723894174 711544195 /nfs/dbraw/zinc/54/41/95/711544195.db2.gz IYAQIXJDPXTMIB-IJLUTSLNSA-N 2 1 212.337 1.082 10 0 BDAEMP Cc1c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cnn1C ZINC000723895393 711544057 /nfs/dbraw/zinc/54/40/57/711544057.db2.gz WDUYFNPOUBRCCY-ZYHUDNBSSA-N 2 1 236.363 1.145 10 0 BDAEMP COC[C@H](C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000721909657 711814633 /nfs/dbraw/zinc/81/46/33/711814633.db2.gz AZZFHHYXGUPTRB-SRVKXCTJSA-N 2 1 214.353 1.184 10 0 BDAEMP FC1(F)CCC[C@H]1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000713986497 712476633 /nfs/dbraw/zinc/47/66/33/712476633.db2.gz GZAZJEUUJIQFJE-VHSXEESVSA-N 2 1 218.291 1.763 10 0 BDAEMP CC1(C)CO[C@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000717158257 712638063 /nfs/dbraw/zinc/63/80/63/712638063.db2.gz JHIRCGRENMAIAQ-WDEREUQCSA-N 2 1 212.337 1.143 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]12 ZINC000719833985 712823693 /nfs/dbraw/zinc/82/36/93/712823693.db2.gz UPPTZLDTZFQZHU-ADEWGFFLSA-N 2 1 237.372 1.355 10 0 BDAEMP C[N@@H+](CCc1ccns1)[C@@H]1CCC[NH2+]CC1 ZINC000719845089 712825474 /nfs/dbraw/zinc/82/54/74/712825474.db2.gz LRTRCVVGRPFXST-LLVKDONJSA-N 2 1 239.388 1.760 10 0 BDAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000723119260 711504919 /nfs/dbraw/zinc/50/49/19/711504919.db2.gz XSIDXUFHAWDGOP-MOLYVOAJSA-N 2 1 208.349 1.702 10 0 BDAEMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000309402664 711697394 /nfs/dbraw/zinc/69/73/94/711697394.db2.gz JHBQYCSCXGZYJV-AGIUHOORSA-N 2 1 226.364 1.221 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000705215974 712124308 /nfs/dbraw/zinc/12/43/08/712124308.db2.gz HLCOGLIBLPOABR-DTWKUNHWSA-N 2 1 231.303 1.497 10 0 BDAEMP C[N@@H+]1C[C@]2(C)C[NH+](CC(C)(C)O)C[C@]2(C)C1 ZINC000705665504 712134750 /nfs/dbraw/zinc/13/47/50/712134750.db2.gz FOBDUPHSQNUNSH-BETUJISGSA-N 2 1 226.364 1.031 10 0 BDAEMP C[N@H+]1C[C@]2(C)C[NH+](CC(C)(C)O)C[C@]2(C)C1 ZINC000705665504 712134751 /nfs/dbraw/zinc/13/47/51/712134751.db2.gz FOBDUPHSQNUNSH-BETUJISGSA-N 2 1 226.364 1.031 10 0 BDAEMP C[NH+]1C[C@]2(C)C[N@H+](CC(C)(C)O)C[C@]2(C)C1 ZINC000705665504 712134752 /nfs/dbraw/zinc/13/47/52/712134752.db2.gz FOBDUPHSQNUNSH-BETUJISGSA-N 2 1 226.364 1.031 10 0 BDAEMP C[NH+]1C[C@]2(C)C[N@@H+](CC(C)(C)O)C[C@]2(C)C1 ZINC000705665504 712134753 /nfs/dbraw/zinc/13/47/53/712134753.db2.gz FOBDUPHSQNUNSH-BETUJISGSA-N 2 1 226.364 1.031 10 0 BDAEMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000708347535 712190301 /nfs/dbraw/zinc/19/03/01/712190301.db2.gz JCSZGUFZCCTWPG-OLZOCXBDSA-N 2 1 240.391 1.875 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@@H]1C[NH3+] ZINC000712483788 712431376 /nfs/dbraw/zinc/43/13/76/712431376.db2.gz DBOHCYYENRUFQO-AGIUHOORSA-N 2 1 238.375 1.615 10 0 BDAEMP Cn1cc([C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000717903644 712732320 /nfs/dbraw/zinc/73/23/20/712732320.db2.gz BURKJBAEZUDOJO-KWCYVHTRSA-N 2 1 248.374 1.684 10 0 BDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718001239 712736102 /nfs/dbraw/zinc/73/61/02/712736102.db2.gz YBYDPZSACOMJPQ-CRWXNKLISA-N 2 1 237.391 1.282 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@@H]1C[NH3+] ZINC000720890413 712875102 /nfs/dbraw/zinc/87/51/02/712875102.db2.gz BINNJIXDTLLJEG-IKOXMDCHSA-N 2 1 238.375 1.471 10 0 BDAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955096 538899629 /nfs/dbraw/zinc/89/96/29/538899629.db2.gz SVAUVUOTFVCPRE-RNJOBUHISA-N 2 1 226.364 1.756 10 0 BDAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12CCCSC2 ZINC000685955230 538900608 /nfs/dbraw/zinc/90/06/08/538900608.db2.gz WJEVZOCOEZQWOT-WDEREUQCSA-N 2 1 214.378 1.695 10 0 BDAEMP Cc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c(C)c1 ZINC000685965339 538911908 /nfs/dbraw/zinc/91/19/08/538911908.db2.gz ACQWAPJYCYKMMO-QWHCGFSZSA-N 2 1 204.317 1.708 10 0 BDAEMP COc1ccc(F)cc1[C@@H]1C[NH2+]C[C@@]1(C)[NH3+] ZINC000685965833 538912393 /nfs/dbraw/zinc/91/23/93/538912393.db2.gz VGLGFQHERKBIHX-CMPLNLGQSA-N 2 1 224.279 1.239 10 0 BDAEMP Cc1ccc(F)cc1[C@H]1C[NH2+]C[C@@]1(C)[NH3+] ZINC000685965672 538912404 /nfs/dbraw/zinc/91/24/04/538912404.db2.gz OGNGHKJBJXAVQB-VXGBXAGGSA-N 2 1 208.280 1.538 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685965819 538912518 /nfs/dbraw/zinc/91/25/18/538912518.db2.gz UTEJZFGBFHCLAU-NWDGAFQWSA-N 2 1 206.289 1.099 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1Cl ZINC000685965814 538912549 /nfs/dbraw/zinc/91/25/49/538912549.db2.gz UMTPMPALSYUOGK-ONGXEEELSA-N 2 1 210.708 1.744 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1CSC[C@H]1C ZINC000306648414 361838277 /nfs/dbraw/zinc/83/82/77/361838277.db2.gz CILIKFHOUMSLJD-KYXWUPHJSA-N 2 1 200.351 1.159 10 0 BDAEMP CC(C)c1ccc([C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC000038523989 342783637 /nfs/dbraw/zinc/78/36/37/342783637.db2.gz BKZHCYURBXZCMY-OLZOCXBDSA-N 2 1 204.317 1.824 10 0 BDAEMP CC1(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000381778230 539006893 /nfs/dbraw/zinc/00/68/93/539006893.db2.gz XKDQRONGYFBLJM-LLVKDONJSA-N 2 1 219.332 1.835 10 0 BDAEMP COC(C)(C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000159220182 349754805 /nfs/dbraw/zinc/75/48/05/349754805.db2.gz DSDXCQGWOAKMAM-UWVGGRQHSA-N 2 1 200.326 1.081 10 0 BDAEMP C(C[NH+]1CCSCC1)[C@H]1CCCC[NH2+]1 ZINC000043498769 343092193 /nfs/dbraw/zinc/09/21/93/343092193.db2.gz PWPAZKUCFVMJSH-LLVKDONJSA-N 2 1 214.378 1.567 10 0 BDAEMP C[C@@H]1SCCC[C@]1(C[NH3+])[NH+]1CCC1 ZINC000306670206 362031753 /nfs/dbraw/zinc/03/17/53/362031753.db2.gz XKRGHBOUGOOMGJ-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1CCN(c2cc[nH+]c(N(C)C)n2)[C@H](C[NH3+])C1 ZINC000261551815 136272536 /nfs/dbraw/zinc/27/25/36/136272536.db2.gz YPECDVSJVVNXHR-QWRGUYRKSA-N 2 1 249.362 1.106 10 0 BDAEMP Cc1cc(N[C@H](C)C[C@H](C)[NH3+])nc(C)[nH+]1 ZINC000165736871 343212397 /nfs/dbraw/zinc/21/23/97/343212397.db2.gz OTWLJISZBWQPIU-JGVFFNPUSA-N 2 1 208.309 1.631 10 0 BDAEMP [NH3+]CCC[N@@H+](CC1CC1)C1CCOCC1 ZINC000409428143 343802676 /nfs/dbraw/zinc/80/26/76/343802676.db2.gz FZHXMOWFRKVZQK-UHFFFAOYSA-N 2 1 212.337 1.226 10 0 BDAEMP FC(F)[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409427156 343800049 /nfs/dbraw/zinc/80/00/49/343800049.db2.gz JSJDAUQTRGRWPM-MRVPVSSYSA-N 2 1 204.264 1.325 10 0 BDAEMP CC(C)[N@H+]1CCOc2ccc(C[NH3+])cc2C1 ZINC000409422510 343813796 /nfs/dbraw/zinc/81/37/96/343813796.db2.gz HOQKJAVKJRVHNZ-UHFFFAOYSA-N 2 1 220.316 1.748 10 0 BDAEMP OC[C@]12C[N@H+](C3CC[NH2+]CC3)C[C@@H]1CCCC2 ZINC000409435592 343834313 /nfs/dbraw/zinc/83/43/13/343834313.db2.gz VOUUQZXGPPCBRE-JSGCOSHPSA-N 2 1 238.375 1.223 10 0 BDAEMP [NH3+]CCC[N@H+]1C[C@H](CO)C2(C1)CCCCC2 ZINC000409436089 343837265 /nfs/dbraw/zinc/83/72/65/343837265.db2.gz YAYSYUVRZQMFCM-GFCCVEGCSA-N 2 1 226.364 1.210 10 0 BDAEMP CCOC[C@@H]1C[N@H+](C2CC[NH2+]CC2)CC1(C)C ZINC000409436151 343837544 /nfs/dbraw/zinc/83/75/44/343837544.db2.gz YJDJQNXOGWAWGS-LBPRGKRZSA-N 2 1 240.391 1.733 10 0 BDAEMP OC[C@@H]1C[N@H+](C2CC[NH2+]CC2)CC12CCCC2 ZINC000409436216 343837984 /nfs/dbraw/zinc/83/79/84/343837984.db2.gz YSNCAZGLOVIHHP-LBPRGKRZSA-N 2 1 238.375 1.223 10 0 BDAEMP CC(C)C[C@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409435793 343839920 /nfs/dbraw/zinc/83/99/20/343839920.db2.gz WOPXZLYJMAQCBK-GXTWGEPZSA-N 2 1 240.391 1.467 10 0 BDAEMP C[C@@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000570507934 323061600 /nfs/dbraw/zinc/06/16/00/323061600.db2.gz UUHORMSPDROIBN-ZIAGYGMSSA-N 2 1 237.391 1.226 10 0 BDAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2cccc(F)c2)C1 ZINC000022130087 343908390 /nfs/dbraw/zinc/90/83/90/343908390.db2.gz NTVLHMJXZIPRNF-AAEUAGOBSA-N 2 1 222.307 1.647 10 0 BDAEMP CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226858201 534958211 /nfs/dbraw/zinc/95/82/11/534958211.db2.gz MPZDMQJLKSABTF-STQMWFEESA-N 2 1 225.380 1.012 10 0 BDAEMP CCSCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000133773183 344321508 /nfs/dbraw/zinc/32/15/08/344321508.db2.gz LNBGVGGYQGSZBM-NXEZZACHSA-N 2 1 202.367 1.470 10 0 BDAEMP COC(=O)CCCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000600706007 344360222 /nfs/dbraw/zinc/36/02/22/344360222.db2.gz BZRMVAZPVNNALD-GFCCVEGCSA-N 2 1 242.363 1.404 10 0 BDAEMP [NH3+]C[C@]1([NH2+]C2CC2)CCc2ccccc2C1 ZINC000050271342 344665240 /nfs/dbraw/zinc/66/52/40/344665240.db2.gz FHWBQYAXLGLHDT-AWEZNQCLSA-N 2 1 216.328 1.625 10 0 BDAEMP C[C@H]1CC[N@@H+]([C@@]2(C[NH3+])CCSC2)C1 ZINC000226756655 344685584 /nfs/dbraw/zinc/68/55/84/344685584.db2.gz QDWJCWZVZIOOBA-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@H]1CC[N@H+]([C@@]2(C[NH3+])CCSC2)C1 ZINC000226756655 344685586 /nfs/dbraw/zinc/68/55/86/344685586.db2.gz QDWJCWZVZIOOBA-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP C[NH+]1CCC(CNc2ccc(N)[nH+]c2)CC1 ZINC000044516623 345105158 /nfs/dbraw/zinc/10/51/58/345105158.db2.gz IZGNNKKAZUMRBS-UHFFFAOYSA-N 2 1 220.320 1.418 10 0 BDAEMP COC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000229139241 345439315 /nfs/dbraw/zinc/43/93/15/345439315.db2.gz DSDXCQGWOAKMAM-VHSXEESVSA-N 2 1 200.326 1.081 10 0 BDAEMP CC[C@@H](C[NH3+])[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000669377542 537964653 /nfs/dbraw/zinc/96/46/53/537964653.db2.gz STNPBWJBVJDOIR-LSDHHAIUSA-N 2 1 248.370 1.608 10 0 BDAEMP [NH3+]CC1([C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000669377834 537966447 /nfs/dbraw/zinc/96/64/47/537966447.db2.gz XVDRCXRXVIXBAV-OAHLLOKOSA-N 2 1 246.354 1.362 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C)C2)[nH+]1 ZINC000037670760 179146145 /nfs/dbraw/zinc/14/61/45/179146145.db2.gz JIKRFHRAYCIAJC-NSHDSACASA-N 2 1 205.305 1.754 10 0 BDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C)C2)[nH+]1 ZINC000037670760 179146147 /nfs/dbraw/zinc/14/61/47/179146147.db2.gz JIKRFHRAYCIAJC-NSHDSACASA-N 2 1 205.305 1.754 10 0 BDAEMP COc1ccc(C[C@H]2C[N@@H+](C)CC[C@@H]2[NH3+])cc1 ZINC000250613254 362812378 /nfs/dbraw/zinc/81/23/78/362812378.db2.gz 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/nfs/dbraw/zinc/01/73/75/538017375.db2.gz BLCNFDTWVJJUIV-JQWIXIFHSA-N 2 1 208.280 1.538 10 0 BDAEMP C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000218353985 350089990 /nfs/dbraw/zinc/08/99/90/350089990.db2.gz VYCJCYWDYQWLCA-DGCLKSJQSA-N 2 1 204.317 1.651 10 0 BDAEMP C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000218353985 350089992 /nfs/dbraw/zinc/08/99/92/350089992.db2.gz VYCJCYWDYQWLCA-DGCLKSJQSA-N 2 1 204.317 1.651 10 0 BDAEMP [NH3+]C[C@H]1CCCC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000420189331 192172916 /nfs/dbraw/zinc/17/29/16/192172916.db2.gz DLQSMVQLVNXJLJ-KOLCDFICSA-N 2 1 245.330 1.887 10 0 BDAEMP Cc1[nH+]ccn1CC(=O)Nc1ccccc1C[NH3+] ZINC000022210514 180232360 /nfs/dbraw/zinc/23/23/60/180232360.db2.gz DGHHQGVDPJRJGL-UHFFFAOYSA-N 2 1 244.298 1.289 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]CCc1ccncc1 ZINC000049330197 180260797 /nfs/dbraw/zinc/26/07/97/180260797.db2.gz YOEOXVIPXUMFHV-UHFFFAOYSA-N 2 1 230.315 1.419 10 0 BDAEMP Cc1[nH+]ccn1CC[NH2+]CCN1CCCCC1 ZINC000049575119 180260949 /nfs/dbraw/zinc/26/09/49/180260949.db2.gz JLZOXLWRIZDKQH-UHFFFAOYSA-N 2 1 236.363 1.267 10 0 BDAEMP Cc1[nH+]ccn1Cc1ccc(C[NH3+])cc1F ZINC000019268224 180268824 /nfs/dbraw/zinc/26/88/24/180268824.db2.gz KVNGVOHXBSAMSM-UHFFFAOYSA-N 2 1 219.263 1.838 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336363 180270777 /nfs/dbraw/zinc/27/07/77/180270777.db2.gz GRPRWSTZIAZRHT-LDYMZIIASA-N 2 1 205.261 1.721 10 0 BDAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1cccnc1 ZINC000043348727 180271096 /nfs/dbraw/zinc/27/10/96/180271096.db2.gz HPYKTDIQFDBUBY-NSHDSACASA-N 2 1 202.261 1.135 10 0 BDAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccccc1F ZINC000043046115 180271568 /nfs/dbraw/zinc/27/15/68/180271568.db2.gz LDEMYHSPVDZGLB-GFCCVEGCSA-N 2 1 219.263 1.879 10 0 BDAEMP Cc1[nH+]cn(CC[C@@H]2CCC[NH2+]C2)c1C ZINC000051927072 180288037 /nfs/dbraw/zinc/28/80/37/180288037.db2.gz AYOXRXJPDSFKTI-LBPRGKRZSA-N 2 1 207.321 1.890 10 0 BDAEMP Cc1[nH+]cn(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1C ZINC000052593719 180288362 /nfs/dbraw/zinc/28/83/62/180288362.db2.gz WNRPJDANHOHDQU-KBPBESRZSA-N 2 1 249.358 1.800 10 0 BDAEMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)C1 ZINC000725264057 538090805 /nfs/dbraw/zinc/09/08/05/538090805.db2.gz BDCJBKHYIISULX-JHJVBQTASA-N 2 1 238.375 1.615 10 0 BDAEMP NCC[N@@H+]1CCC[C@H]1c1ccccc1CCO ZINC000616608528 350804306 /nfs/dbraw/zinc/80/43/06/350804306.db2.gz XDUARVFEOJYVBZ-AWEZNQCLSA-N 2 1 234.343 1.317 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@H]1CC[C@H]([NH3+])C1 ZINC000251853374 350905044 /nfs/dbraw/zinc/90/50/44/350905044.db2.gz RSFROWGUWKGZOW-UTLUCORTSA-N 2 1 200.351 1.304 10 0 BDAEMP CC[C@@H]1C[NH2+]CC[C@@]12[NH2+]C[C@H](C)S2 ZINC000253349653 350920743 /nfs/dbraw/zinc/92/07/43/350920743.db2.gz ZOEOERQUHSEHKU-AEJSXWLSSA-N 2 1 200.351 1.427 10 0 BDAEMP CNC(=[NH2+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000306719108 350878404 /nfs/dbraw/zinc/87/84/04/350878404.db2.gz JXPDSXSQRXXRRK-AAEUAGOBSA-N 2 1 246.358 1.251 10 0 BDAEMP FC1(F)CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000306719924 350880606 /nfs/dbraw/zinc/88/06/06/350880606.db2.gz YUBIZBSUHCJMJC-BDAKNGLRSA-N 2 1 204.264 1.516 10 0 BDAEMP C[C@@H]([NH3+])CNc1cc[nH+]cc1Br ZINC000159902302 351024389 /nfs/dbraw/zinc/02/43/89/351024389.db2.gz LDJJILQYXNOWQS-ZCFIWIBFSA-N 2 1 230.109 1.603 10 0 BDAEMP Cc1c[nH]c(N(CC[NH3+])Cc2ccccc2)[nH+]1 ZINC000306808077 351060338 /nfs/dbraw/zinc/06/03/38/351060338.db2.gz OCBYGTBVXYRVOW-UHFFFAOYSA-N 2 1 230.315 1.683 10 0 BDAEMP C[C@@H]1CSCC[N@@H+]1[C@H](CN)C1CC1 ZINC000251944415 362993118 /nfs/dbraw/zinc/99/31/18/362993118.db2.gz ZWMUOWDNLSFFBD-PSASIEDQSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@H](CN)C1CC1 ZINC000251944415 362993123 /nfs/dbraw/zinc/99/31/23/362993123.db2.gz ZWMUOWDNLSFFBD-PSASIEDQSA-N 2 1 200.351 1.161 10 0 BDAEMP COc1cc(OC)cc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000725268154 538100063 /nfs/dbraw/zinc/10/00/63/538100063.db2.gz FIHJVGPIOGDBOE-QWHCGFSZSA-N 2 1 236.315 1.108 10 0 BDAEMP CCc1nc(N[C@@H](C)CCCC[NH3+])cc(C)[nH+]1 ZINC000336722931 351234613 /nfs/dbraw/zinc/23/46/13/351234613.db2.gz TXWZFWAIPIJYIV-JTQLQIEISA-N 2 1 236.363 1.699 10 0 BDAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000386584482 363017142 /nfs/dbraw/zinc/01/71/42/363017142.db2.gz IBSCDKZSCMHITK-YNEHKIRRSA-N 2 1 247.342 1.259 10 0 BDAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C1CSC1 ZINC000307131049 351495462 /nfs/dbraw/zinc/49/54/62/351495462.db2.gz SPRPYGDTPGOQDZ-RKDXNWHRSA-N 2 1 200.351 1.161 10 0 BDAEMP CSC1CC[NH+]([C@H](C)[C@H](C)[NH3+])CC1 ZINC000307148465 351501758 /nfs/dbraw/zinc/50/17/58/351501758.db2.gz QDEQABDWHKRZPL-DTWKUNHWSA-N 2 1 202.367 1.550 10 0 BDAEMP CSC1CC[NH+]([C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000307148464 351501979 /nfs/dbraw/zinc/50/19/79/351501979.db2.gz QDEQABDWHKRZPL-BDAKNGLRSA-N 2 1 202.367 1.550 10 0 BDAEMP C[C@@H]1CS[C@]2(CC[N@@H+](C)C[C@@H]2C)[NH2+]1 ZINC000307249781 351756168 /nfs/dbraw/zinc/75/61/68/351756168.db2.gz OWWGSVCZEPSJHL-AEJSXWLSSA-N 2 1 200.351 1.379 10 0 BDAEMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1[C@H]1CCCSC1 ZINC000307384873 352511790 /nfs/dbraw/zinc/51/17/90/352511790.db2.gz JBJRVOKKDAHCRY-OUAUKWLOSA-N 2 1 214.378 1.694 10 0 BDAEMP C[NH2+][C@@H](CC(C)C)C[N@@H+]1CCC[C@@H]1CO ZINC000140141157 353114433 /nfs/dbraw/zinc/11/44/33/353114433.db2.gz WFEJKSLMJICYST-NWDGAFQWSA-N 2 1 214.353 1.077 10 0 BDAEMP C[NH2+][C@@H](CC(C)C)C[N@H+]1CCC[C@@H]1CO ZINC000140141157 353114435 /nfs/dbraw/zinc/11/44/35/353114435.db2.gz WFEJKSLMJICYST-NWDGAFQWSA-N 2 1 214.353 1.077 10 0 BDAEMP C[C@@H](C[NH3+])C[NH+]=c1[nH]c2ccccc2n1C ZINC000420223000 192178302 /nfs/dbraw/zinc/17/83/02/192178302.db2.gz ZABUBOVPBUPWQO-VIFPVBQESA-N 2 1 218.304 1.002 10 0 BDAEMP C[C@@H]1[C@H](C)SCC[N@H+]1C/C=C/C[NH3+] ZINC000132429830 353381170 /nfs/dbraw/zinc/38/11/70/353381170.db2.gz APSZLGCSQMPINC-OKWQPMOJSA-N 2 1 200.351 1.327 10 0 BDAEMP C[C@@H]1SCC[N@@H+](C/C=C\C[NH3+])[C@H]1C ZINC000308078057 353767174 /nfs/dbraw/zinc/76/71/74/353767174.db2.gz APSZLGCSQMPINC-CMIOBCHKSA-N 2 1 200.351 1.327 10 0 BDAEMP COC(C)(C)[C@H](C)[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000301039087 363358841 /nfs/dbraw/zinc/35/88/41/363358841.db2.gz YLUAWSJQJYKHQJ-GUBZILKMSA-N 2 1 200.326 1.079 10 0 BDAEMP C[C@@H]1CSC[C@H]1[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405789699 355276345 /nfs/dbraw/zinc/27/63/45/355276345.db2.gz KKBYYWGYPFMWGA-OPRDCNLKSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1COC[C@H](C)[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420303496 192207428 /nfs/dbraw/zinc/20/74/28/192207428.db2.gz NNZRWZVRPPWAGS-FRRDWIJNSA-N 2 1 226.364 1.485 10 0 BDAEMP CC(C)OCCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420354174 192218825 /nfs/dbraw/zinc/21/88/25/192218825.db2.gz BOXXJTNZILQNOO-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)OCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420354174 192218828 /nfs/dbraw/zinc/21/88/28/192218828.db2.gz BOXXJTNZILQNOO-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP [NH3+][C@@H]1C=C(CCC2CCOCC2)C[NH2+]C1 ZINC000675079483 538518530 /nfs/dbraw/zinc/51/85/30/538518530.db2.gz ZLFLRBDMPNRSQL-GFCCVEGCSA-N 2 1 210.321 1.050 10 0 BDAEMP CCOc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 ZINC000685946688 538887276 /nfs/dbraw/zinc/88/72/76/538887276.db2.gz USPLMUHGKRSOAU-QWHCGFSZSA-N 2 1 220.316 1.490 10 0 BDAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(F)c(C)c1 ZINC000685945861 538887367 /nfs/dbraw/zinc/88/73/67/538887367.db2.gz CSHWPQUDKURUSE-AAEUAGOBSA-N 2 1 222.307 1.928 10 0 BDAEMP COc1cccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 ZINC000685945973 538887673 /nfs/dbraw/zinc/88/76/73/538887673.db2.gz HVILWHJVLVCLTQ-NWDGAFQWSA-N 2 1 206.289 1.099 10 0 BDAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000685946340 538888129 /nfs/dbraw/zinc/88/81/29/538888129.db2.gz PQIGHBNGZSEQAQ-QWRGUYRKSA-N 2 1 212.243 1.369 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000685947055 538888725 /nfs/dbraw/zinc/88/87/25/538888725.db2.gz ZSAIEFIAYQBLSM-CHWSQXEVSA-N 2 1 204.317 1.789 10 0 BDAEMP C[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1[NH3+] ZINC000235594394 357881401 /nfs/dbraw/zinc/88/14/01/357881401.db2.gz LLXFFZCTDNISAI-IUCAKERBSA-N 2 1 240.269 1.234 10 0 BDAEMP C[C@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1[NH3+] ZINC000235594394 357881404 /nfs/dbraw/zinc/88/14/04/357881404.db2.gz LLXFFZCTDNISAI-IUCAKERBSA-N 2 1 240.269 1.234 10 0 BDAEMP CSC1(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)CC1 ZINC000306230585 359366395 /nfs/dbraw/zinc/36/63/95/359366395.db2.gz ZTLLDRNUNHUGMV-UWVGGRQHSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]1(O)C1C[NH2+]C1 ZINC000306398796 359765965 /nfs/dbraw/zinc/76/59/65/359765965.db2.gz MOJSAPUHJFRHIC-SWLSCSKDSA-N 2 1 246.354 1.231 10 0 BDAEMP CC(C)[C@@H]1C[N@@H+]([C@@H](C)CN)CCCO1 ZINC000306469165 360084314 /nfs/dbraw/zinc/08/43/14/360084314.db2.gz OXYZFDSZLTTWGM-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H]1C[N@H+]([C@@H](C)CN)CCCO1 ZINC000306469165 360084317 /nfs/dbraw/zinc/08/43/17/360084317.db2.gz OXYZFDSZLTTWGM-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H]1C[N@@H+]([C@@H](C)C[NH3+])CCCO1 ZINC000306469165 360084319 /nfs/dbraw/zinc/08/43/19/360084319.db2.gz OXYZFDSZLTTWGM-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H]1C[N@H+]([C@@H](C)C[NH3+])CCCO1 ZINC000306469165 360084321 /nfs/dbraw/zinc/08/43/21/360084321.db2.gz OXYZFDSZLTTWGM-QWRGUYRKSA-N 2 1 200.326 1.081 10 0 BDAEMP [NH3+]C1CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000094074924 360294941 /nfs/dbraw/zinc/29/49/41/360294941.db2.gz PCZCZBNBHMSDMW-UHFFFAOYSA-N 2 1 239.407 1.722 10 0 BDAEMP c1nc2ccccc2n1CCC[NH2+][C@H]1CC[NH2+]C1 ZINC000094074979 360295749 /nfs/dbraw/zinc/29/57/49/360295749.db2.gz LZXJQRHIFPHSSM-LBPRGKRZSA-N 2 1 244.342 1.378 10 0 BDAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCSC[C@H]1C ZINC000069761060 360409429 /nfs/dbraw/zinc/40/94/29/360409429.db2.gz VTTVNSLTHKCKHS-JGVFFNPUSA-N 2 1 201.339 1.138 10 0 BDAEMP CC[C@@H]1[C@@H](C)CC[N@@H+]1C1(C[NH3+])CSC1 ZINC000306595281 360516256 /nfs/dbraw/zinc/51/62/56/360516256.db2.gz XVEWAVFIUXQSQM-VHSXEESVSA-N 2 1 214.378 1.551 10 0 BDAEMP CC[C@@H]1[C@@H](C)CC[N@H+]1C1(C[NH3+])CSC1 ZINC000306595281 360516260 /nfs/dbraw/zinc/51/62/60/360516260.db2.gz XVEWAVFIUXQSQM-VHSXEESVSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1C[NH+](C(C)(C)C[NH3+])C[C@@H](C)S1 ZINC000069908328 361001699 /nfs/dbraw/zinc/00/16/99/361001699.db2.gz BJACPQHOENOKBT-RKDXNWHRSA-N 2 1 202.367 1.550 10 0 BDAEMP CC(C)C[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309687688 491154411 /nfs/dbraw/zinc/15/44/11/491154411.db2.gz ORLVUCYHEWUEPQ-GFCCVEGCSA-N 2 1 228.380 1.467 10 0 BDAEMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cncs1 ZINC000306616718 361171480 /nfs/dbraw/zinc/17/14/80/361171480.db2.gz PEKJRHLNKRTIQB-SCZZXKLOSA-N 2 1 211.334 1.231 10 0 BDAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1ccccc1 ZINC000252554217 363892628 /nfs/dbraw/zinc/89/26/28/363892628.db2.gz HEJHVNANPCGZAN-XBFCOCLRSA-N 2 1 216.328 1.726 10 0 BDAEMP CO[C@@H]1C[N@H+](CCCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356824 364077234 /nfs/dbraw/zinc/07/72/34/364077234.db2.gz BASGBNWXVAHBDQ-QWHCGFSZSA-N 2 1 244.379 1.240 10 0 BDAEMP CO[C@@H]1C[N@@H+](CCCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356824 364077239 /nfs/dbraw/zinc/07/72/39/364077239.db2.gz BASGBNWXVAHBDQ-QWHCGFSZSA-N 2 1 244.379 1.240 10 0 BDAEMP CO[C@@H]1C[N@@H+](CC2CC(C)(C)C2)[C@@](C)(C[NH3+])C1 ZINC000630366291 364086220 /nfs/dbraw/zinc/08/62/20/364086220.db2.gz KALHALIMQXGIER-GXTWGEPZSA-N 2 1 240.391 1.861 10 0 BDAEMP C[NH2+]CCOCCN(C)c1cc(C)cc[nH+]1 ZINC000630530236 364218566 /nfs/dbraw/zinc/21/85/66/364218566.db2.gz IFLLMLPNWWNVSE-UHFFFAOYSA-N 2 1 223.320 1.062 10 0 BDAEMP C[C@H](c1ccccn1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248085403 364627376 /nfs/dbraw/zinc/62/73/76/364627376.db2.gz RQWNGGPHIKFGSX-NEPJUHHUSA-N 2 1 219.332 1.684 10 0 BDAEMP C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248085403 364627380 /nfs/dbraw/zinc/62/73/80/364627380.db2.gz RQWNGGPHIKFGSX-NEPJUHHUSA-N 2 1 219.332 1.684 10 0 BDAEMP [NH3+]CCC1CCN(CCC[NH+]2CCCC2)CC1 ZINC000042427840 181371732 /nfs/dbraw/zinc/37/17/32/181371732.db2.gz HESPIIDMCZTTFZ-UHFFFAOYSA-N 2 1 239.407 1.533 10 0 BDAEMP OCC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444596367 193052456 /nfs/dbraw/zinc/05/24/56/193052456.db2.gz MZGCHGKRUNPDHP-AWEZNQCLSA-N 2 1 240.391 1.567 10 0 BDAEMP Cc1cnccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000384906619 367755072 /nfs/dbraw/zinc/75/50/72/367755072.db2.gz AOVONUGZGRHLFE-IHRRRGAJSA-N 2 1 231.343 1.559 10 0 BDAEMP C[C@H](C[N@H+]1CCCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000252842413 368162701 /nfs/dbraw/zinc/16/27/01/368162701.db2.gz COJAZENALVBDCJ-MXWKQRLJSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CCCSC2)CCC[NH2+]1 ZINC000252979140 368177136 /nfs/dbraw/zinc/17/71/36/368177136.db2.gz GJEVSFWVVVHYBG-MNOVXSKESA-N 2 1 214.378 1.566 10 0 BDAEMP CC[C@](C)(C[NH3+])[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000253056321 368418173 /nfs/dbraw/zinc/41/81/73/368418173.db2.gz ARJOZHQLOALTMG-OUAUKWLOSA-N 2 1 216.394 1.940 10 0 BDAEMP CC[N@H+]1CCC[C@]2(CC1)[NH2+]C[C@@H](C)S2 ZINC000226585377 371700600 /nfs/dbraw/zinc/70/06/00/371700600.db2.gz WETUJWYMVIMWSM-MNOVXSKESA-N 2 1 214.378 1.913 10 0 BDAEMP C[C@H]1SCC[N@@H+](C2CC([NH3+])C2)[C@@H]1C ZINC000132791060 371923582 /nfs/dbraw/zinc/92/35/82/371923582.db2.gz SEDJDUKQKPQYHK-LGUIWLBCSA-N 2 1 200.351 1.302 10 0 BDAEMP C[C@@H]1SCC[N@@H+]([C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000132792530 371923847 /nfs/dbraw/zinc/92/38/47/371923847.db2.gz LOMGLRAUQAZDOU-XWLWVQCSSA-N 2 1 214.378 1.692 10 0 BDAEMP C[C@H](C[C@H](C)[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000133223587 372009752 /nfs/dbraw/zinc/00/97/52/372009752.db2.gz GCWLIGABENQVFP-ZRUFSTJUSA-N 2 1 200.326 1.221 10 0 BDAEMP C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000631838328 372630998 /nfs/dbraw/zinc/63/09/98/372630998.db2.gz MBTKSTBJAZVMSZ-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000631838328 372631006 /nfs/dbraw/zinc/63/10/06/372631006.db2.gz MBTKSTBJAZVMSZ-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP COc1cccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838945 372634188 /nfs/dbraw/zinc/63/41/88/372634188.db2.gz XHXREPUQNAOPIU-YPMHNXCESA-N 2 1 234.343 1.722 10 0 BDAEMP C[C@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840027 372636735 /nfs/dbraw/zinc/63/67/35/372636735.db2.gz OJXSJWZVYJMDGC-WZRBSPASSA-N 2 1 219.332 1.669 10 0 BDAEMP C[C@@H]1C[N@@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000631841074 372639310 /nfs/dbraw/zinc/63/93/10/372639310.db2.gz XUAIROFBYQHYAW-YPMHNXCESA-N 2 1 219.332 1.151 10 0 BDAEMP Cc1cccc(OCC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631843189 372640502 /nfs/dbraw/zinc/64/05/02/372640502.db2.gz KDNSMHMLXCPQRW-UONOGXRCSA-N 2 1 248.370 1.900 10 0 BDAEMP Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994572 183269431 /nfs/dbraw/zinc/26/94/31/183269431.db2.gz LEEKNRXKEBQBTO-CQSZACIVSA-N 2 1 232.327 1.578 10 0 BDAEMP Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994572 183269434 /nfs/dbraw/zinc/26/94/34/183269434.db2.gz LEEKNRXKEBQBTO-CQSZACIVSA-N 2 1 232.327 1.578 10 0 BDAEMP CCC[N@@H+](CCC[NH3+])[C@H](C)C(=O)N(CC)CC ZINC000036731910 169156826 /nfs/dbraw/zinc/15/68/26/169156826.db2.gz YNDZFKCEVXXNEN-GFCCVEGCSA-N 2 1 243.395 1.304 10 0 BDAEMP CCC[N@@H+](CCn1cc(C[NH2+]C)nn1)C(C)C ZINC000052450395 169170175 /nfs/dbraw/zinc/17/01/75/169170175.db2.gz ISXLBXGSCBOUGF-UHFFFAOYSA-N 2 1 239.367 1.118 10 0 BDAEMP CCC[N@H+]1CCc2nc([C@@H](C)C[NH3+])sc2C1 ZINC000054158323 169207887 /nfs/dbraw/zinc/20/78/87/169207887.db2.gz PPXACGVEMBGOHG-VIFPVBQESA-N 2 1 239.388 1.973 10 0 BDAEMP CCC[NH2+]CCCCC[N@H+]1CC[C@@H](N(C)C)C1 ZINC000062971818 169256873 /nfs/dbraw/zinc/25/68/73/169256873.db2.gz MNTIBLYGCFRFDG-CQSZACIVSA-N 2 1 241.423 1.792 10 0 BDAEMP CCC[NH2+]CCCCCN1CC[C@@H]([NH+](C)C)C1 ZINC000062971818 169256875 /nfs/dbraw/zinc/25/68/75/169256875.db2.gz MNTIBLYGCFRFDG-CQSZACIVSA-N 2 1 241.423 1.792 10 0 BDAEMP CCC[NH2+]CCCCCN1CC[NH+](CC)CC1 ZINC000052422453 169256914 /nfs/dbraw/zinc/25/69/14/169256914.db2.gz ZAVASCYIMWONGU-UHFFFAOYSA-N 2 1 241.423 1.794 10 0 BDAEMP CCC[NH2+]C[C@@H]1CC[C@@H](Cn2cc[nH+]c2C)O1 ZINC000052576186 169262331 /nfs/dbraw/zinc/26/23/31/169262331.db2.gz WRQZABJJJSIMJZ-STQMWFEESA-N 2 1 237.347 1.739 10 0 BDAEMP CCC[NH2+][C@H](C)CCN1CC[N@@H+](CC)[C@H](C)C1 ZINC000104137076 169286048 /nfs/dbraw/zinc/28/60/48/169286048.db2.gz BEURULBGRCWKDW-ZIAGYGMSSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](CC)CCO ZINC000053858511 169290713 /nfs/dbraw/zinc/29/07/13/169290713.db2.gz ZBQPPKUBDOXSCS-KGLIPLIRSA-N 2 1 242.407 1.859 10 0 BDAEMP CCC[NH2+]C[C@H](O)C[N@@H+](CCOC)[C@@H](C)CC ZINC000042580676 169263383 /nfs/dbraw/zinc/26/33/83/169263383.db2.gz NDXPUWXXOYVXSI-STQMWFEESA-N 2 1 246.395 1.094 10 0 BDAEMP CCC[NH2+]C[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000053031623 169264368 /nfs/dbraw/zinc/26/43/68/169264368.db2.gz FPHNWBNAXSOPSU-CYBMUJFWSA-N 2 1 236.363 1.205 10 0 BDAEMP CCC[NH2+]C[C@]1(C[N@H+]2CCC[C@@H]2C)CCOC1 ZINC000051205789 169264469 /nfs/dbraw/zinc/26/44/69/169264469.db2.gz FSLMOTZMVSCZMY-KBPBESRZSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000053033157 169264901 /nfs/dbraw/zinc/26/49/01/169264901.db2.gz XFHIWAUJRRMYQF-KGLIPLIRSA-N 2 1 240.391 1.877 10 0 BDAEMP CCCO[C@@H]1CCC[N@H+]([C@@H](CC)CC(N)=[NH2+])C1 ZINC000042422684 169311446 /nfs/dbraw/zinc/31/14/46/169311446.db2.gz YBYFMLLNBMBQML-NWDGAFQWSA-N 2 1 241.379 1.982 10 0 BDAEMP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455856 169368442 /nfs/dbraw/zinc/36/84/42/169368442.db2.gz XWKKBQCBZGGERF-TUAOUCFPSA-N 2 1 243.395 1.206 10 0 BDAEMP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455856 169368444 /nfs/dbraw/zinc/36/84/44/169368444.db2.gz XWKKBQCBZGGERF-TUAOUCFPSA-N 2 1 243.395 1.206 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000069796931 383844896 /nfs/dbraw/zinc/84/48/96/383844896.db2.gz IHKBPCQCLHTOOZ-VXGBXAGGSA-N 2 1 205.305 1.294 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000069796931 383844904 /nfs/dbraw/zinc/84/49/04/383844904.db2.gz IHKBPCQCLHTOOZ-VXGBXAGGSA-N 2 1 205.305 1.294 10 0 BDAEMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000068592955 384001560 /nfs/dbraw/zinc/00/15/60/384001560.db2.gz WLYLYILTBJZATP-AAEUAGOBSA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000068592955 384001566 /nfs/dbraw/zinc/00/15/66/384001566.db2.gz WLYLYILTBJZATP-AAEUAGOBSA-N 2 1 204.317 1.998 10 0 BDAEMP [NH3+]C[C@H]1CC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000335583373 384345642 /nfs/dbraw/zinc/34/56/42/384345642.db2.gz WODALGJGUCMNIC-DTWKUNHWSA-N 2 1 225.723 1.696 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000335583372 384346463 /nfs/dbraw/zinc/34/64/63/384346463.db2.gz WODALGJGUCMNIC-BDAKNGLRSA-N 2 1 225.723 1.696 10 0 BDAEMP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310296942 384750240 /nfs/dbraw/zinc/75/02/40/384750240.db2.gz MHPDAJAMKLSBIX-RWMBFGLXSA-N 2 1 240.391 1.610 10 0 BDAEMP CC[C@H](COC)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000310022270 384790863 /nfs/dbraw/zinc/79/08/63/384790863.db2.gz NYEYBAFWLINVGF-MNOVXSKESA-N 2 1 223.320 1.213 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CCOC[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000309185329 385200212 /nfs/dbraw/zinc/20/02/12/385200212.db2.gz FYJQKAWDHRDCHH-FVCCEPFGSA-N 2 1 226.364 1.328 10 0 BDAEMP Cc1cc(N2CCC(C)([NH3+])CC2)nc(C)[nH+]1 ZINC000643029111 385524606 /nfs/dbraw/zinc/52/46/06/385524606.db2.gz JDVNDAHSCLRSJO-UHFFFAOYSA-N 2 1 220.320 1.411 10 0 BDAEMP C[C@H](CCC[NH3+])[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000336683773 385669504 /nfs/dbraw/zinc/66/95/04/385669504.db2.gz ZKNVIDVRFZSABI-SECBINFHSA-N 2 1 218.304 1.524 10 0 BDAEMP c1ccc(C[N@@H+]2CC[C@H](CNC3COC3)C2)cc1 ZINC000309652237 385769586 /nfs/dbraw/zinc/76/95/86/385769586.db2.gz HELXZTHLDZHVEA-CQSZACIVSA-N 2 1 246.354 1.497 10 0 BDAEMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309669785 385785255 /nfs/dbraw/zinc/78/52/55/385785255.db2.gz VOFMATZCYDGFQG-MXWKQRLJSA-N 2 1 223.320 1.211 10 0 BDAEMP C[NH2+][C@@H]1CC[N@H+](C2CSC2)[C@@H](C)C1 ZINC000575565156 386057918 /nfs/dbraw/zinc/05/79/18/386057918.db2.gz DSRMDHFTRCFQGL-DTWKUNHWSA-N 2 1 200.351 1.174 10 0 BDAEMP C[NH2+][C@@H]1CC[N@@H+](C2CSC2)[C@@H](C)C1 ZINC000575565156 386057921 /nfs/dbraw/zinc/05/79/21/386057921.db2.gz DSRMDHFTRCFQGL-DTWKUNHWSA-N 2 1 200.351 1.174 10 0 BDAEMP C[C@H](C[NH2+][C@H](C)c1cncs1)C[NH+](C)C ZINC000293338579 386816244 /nfs/dbraw/zinc/81/62/44/386816244.db2.gz GLHPESFARXANIO-NXEZZACHSA-N 2 1 227.377 1.991 10 0 BDAEMP CC[C@@H]1CS[C@@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575575790 387004383 /nfs/dbraw/zinc/00/43/83/387004383.db2.gz NTCSWBWHMKXVBZ-NXEZZACHSA-N 2 1 200.351 1.571 10 0 BDAEMP C[C@@]1(C(N)=[NH2+])CC[N@@H+](Cc2ccccc2)C1 ZINC000575517982 387434109 /nfs/dbraw/zinc/43/41/09/387434109.db2.gz YZYJONZFHYDFBN-CYBMUJFWSA-N 2 1 217.316 1.835 10 0 BDAEMP c1cc2c(nc[nH+]c2NCC[C@@H]2CC[NH2+]C2)[nH]1 ZINC000516555920 387523720 /nfs/dbraw/zinc/52/37/20/387523720.db2.gz LWFMIUCLDWGZRH-VIFPVBQESA-N 2 1 231.303 1.321 10 0 BDAEMP C[NH2+][C@H]1CC[N@H+](C2CSC2)[C@H](C)C1 ZINC000575565155 387725063 /nfs/dbraw/zinc/72/50/63/387725063.db2.gz DSRMDHFTRCFQGL-BDAKNGLRSA-N 2 1 200.351 1.174 10 0 BDAEMP C[NH2+][C@H]1CC[N@@H+](C2CSC2)[C@H](C)C1 ZINC000575565155 387725067 /nfs/dbraw/zinc/72/50/67/387725067.db2.gz DSRMDHFTRCFQGL-BDAKNGLRSA-N 2 1 200.351 1.174 10 0 BDAEMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000422839624 387728626 /nfs/dbraw/zinc/72/86/26/387728626.db2.gz QWVWDGJRQDMABL-MGPQQGTHSA-N 3 1 239.407 1.591 10 0 BDAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000422966977 387816277 /nfs/dbraw/zinc/81/62/77/387816277.db2.gz AZNCUKGAOTWENV-HSBZDZAISA-N 3 1 239.407 1.578 10 0 BDAEMP CC[NH+](CC)CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245686370 387971427 /nfs/dbraw/zinc/97/14/27/387971427.db2.gz VGHWQMZJUYDPCV-KGLIPLIRSA-N 2 1 239.407 1.497 10 0 BDAEMP [NH3+][C@H]1CO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575509078 389002849 /nfs/dbraw/zinc/00/28/49/389002849.db2.gz RFZLCEGVIAEDEG-ZIAGYGMSSA-N 2 1 232.327 1.379 10 0 BDAEMP C[C@H]1C[C@@]2(CC[NH2+]1)[NH2+]C(C)(C)CS2 ZINC000575511826 389010519 /nfs/dbraw/zinc/01/05/19/389010519.db2.gz JQUUOTHALADLAD-WPRPVWTQSA-N 2 1 200.351 1.570 10 0 BDAEMP C[C@H]1CS[C@]2(CC[NH2+]C(C)(C)C2)[NH2+]1 ZINC000575512897 389010971 /nfs/dbraw/zinc/01/09/71/389010971.db2.gz UUVSYVBUBWCCJH-WPRPVWTQSA-N 2 1 200.351 1.570 10 0 BDAEMP [NH3+]C[C@H]1CC[N@@H+]1[C@H]1CCCSCC1 ZINC000575513657 389017265 /nfs/dbraw/zinc/01/72/65/389017265.db2.gz DRKRHAOHQPLIMA-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP [NH3+]C[C@H]1CC[N@H+]1[C@H]1CCCSCC1 ZINC000575513657 389017268 /nfs/dbraw/zinc/01/72/68/389017268.db2.gz DRKRHAOHQPLIMA-VHSXEESVSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1NC(=[NH2+])NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000013488368 132292988 /nfs/dbraw/zinc/29/29/88/132292988.db2.gz CXDXEQLVIUNPDR-LURJTMIESA-N 2 1 237.694 1.135 10 0 BDAEMP CC(C)[NH2+]CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220878108 134316390 /nfs/dbraw/zinc/31/63/90/134316390.db2.gz MRARUHCXXPXOHV-KBPBESRZSA-N 2 1 239.407 1.401 10 0 BDAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCC[NH+](C)C ZINC000252660686 135094779 /nfs/dbraw/zinc/09/47/79/135094779.db2.gz BYFDFENOWKMFSE-KGLIPLIRSA-N 2 1 239.407 1.497 10 0 BDAEMP CC(C)[NH2+]CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000086929802 135102731 /nfs/dbraw/zinc/10/27/31/135102731.db2.gz VWGKPVIBSBSVEP-CYBMUJFWSA-N 2 1 225.380 1.155 10 0 BDAEMP CC1(C)C[N@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000261545645 135150274 /nfs/dbraw/zinc/15/02/74/135150274.db2.gz GFCDMIYVJQSPOT-CYBMUJFWSA-N 2 1 234.343 1.951 10 0 BDAEMP CC1(C)C[N@@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000261545645 135150275 /nfs/dbraw/zinc/15/02/75/135150275.db2.gz GFCDMIYVJQSPOT-CYBMUJFWSA-N 2 1 234.343 1.951 10 0 BDAEMP CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000261536820 135173281 /nfs/dbraw/zinc/17/32/81/135173281.db2.gz TUZZSACGNHGNGW-NWDGAFQWSA-N 2 1 208.349 1.718 10 0 BDAEMP CC[N@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000261540604 135179770 /nfs/dbraw/zinc/17/97/70/135179770.db2.gz GMXIMDIDLMALRQ-ZDUSSCGKSA-N 2 1 234.347 1.441 10 0 BDAEMP CC[N@@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000261540604 135179771 /nfs/dbraw/zinc/17/97/71/135179771.db2.gz GMXIMDIDLMALRQ-ZDUSSCGKSA-N 2 1 234.347 1.441 10 0 BDAEMP Cc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000261540739 135180052 /nfs/dbraw/zinc/18/00/52/135180052.db2.gz HPLSNLGPRFGDEA-CABZTGNLSA-N 2 1 234.347 1.657 10 0 BDAEMP CCc1cc(NC[C@@H](C)C[NH3+])nc(C)[nH+]1 ZINC000084082445 135182849 /nfs/dbraw/zinc/18/28/49/135182849.db2.gz LJDPGTKMHXRANP-QMMMGPOBSA-N 2 1 208.309 1.354 10 0 BDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000261550913 135190082 /nfs/dbraw/zinc/19/00/82/135190082.db2.gz PYDJWDVDCCKLFI-XVKPBYJWSA-N 2 1 246.763 1.071 10 0 BDAEMP C/C(=C\Cl)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000232008459 397989620 /nfs/dbraw/zinc/98/96/20/397989620.db2.gz SSYGEZZGWGJFSJ-VQHVLOKHSA-N 2 1 202.729 1.813 10 0 BDAEMP C/C(=C\Cl)C[N@H+](C)C1CC[NH2+]CC1 ZINC000232008459 397989622 /nfs/dbraw/zinc/98/96/22/397989622.db2.gz SSYGEZZGWGJFSJ-VQHVLOKHSA-N 2 1 202.729 1.813 10 0 BDAEMP C[NH2+]C(C)(C)C[N@@H+](C)[C@@H]1CCSC1 ZINC000061319569 173319209 /nfs/dbraw/zinc/31/92/09/173319209.db2.gz YVWBZEBFFFGOCA-SECBINFHSA-N 2 1 202.367 1.422 10 0 BDAEMP CC(C)[NH2+]C[C@@H]1CCCN1c1[nH+]ccn1C ZINC000053694337 167113476 /nfs/dbraw/zinc/11/34/76/167113476.db2.gz MVNLASODTGDKLK-NSHDSACASA-N 2 1 222.336 1.387 10 0 BDAEMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000051890088 411284904 /nfs/dbraw/zinc/28/49/04/411284904.db2.gz XNTOFBBFFAAPSX-JHJVBQTASA-N 2 1 224.348 1.239 10 0 BDAEMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000051890088 411284906 /nfs/dbraw/zinc/28/49/06/411284906.db2.gz XNTOFBBFFAAPSX-JHJVBQTASA-N 2 1 224.348 1.239 10 0 BDAEMP Nc1cc([C@H]2CCCN(CC[NH3+])CC2)cc[nH+]1 ZINC000616627185 411287385 /nfs/dbraw/zinc/28/73/85/411287385.db2.gz FTQAQALIRRWONR-NSHDSACASA-N 2 1 234.347 1.192 10 0 BDAEMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000653760097 411333888 /nfs/dbraw/zinc/33/38/88/411333888.db2.gz HAPROPXAPTXAPM-ZDUSSCGKSA-N 2 1 240.391 1.611 10 0 BDAEMP CC1CCC(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358137564 168156748 /nfs/dbraw/zinc/15/67/48/168156748.db2.gz MBVXAWBHBGYRPX-JXQTWKCFSA-N 2 1 240.391 1.469 10 0 BDAEMP CC1CCC(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358137564 168156751 /nfs/dbraw/zinc/15/67/51/168156751.db2.gz MBVXAWBHBGYRPX-JXQTWKCFSA-N 2 1 240.391 1.469 10 0 BDAEMP CC[C@@H]1CN(c2cccc(C)[nH+]2)CC[C@@H]1[NH3+] ZINC000122967858 411437386 /nfs/dbraw/zinc/43/73/86/411437386.db2.gz YFGMBFXCVISTPZ-NEPJUHHUSA-N 2 1 219.332 1.954 10 0 BDAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037643726 170007516 /nfs/dbraw/zinc/00/75/16/170007516.db2.gz PWGSLKFALVHGSU-ZDUSSCGKSA-N 2 1 234.343 1.824 10 0 BDAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000037894008 170010025 /nfs/dbraw/zinc/01/00/25/170010025.db2.gz MEAVUXUYKIPSPW-MJBXVCDLSA-N 2 1 240.391 1.611 10 0 BDAEMP CC[N@@H+]1CC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000037756831 170016560 /nfs/dbraw/zinc/01/65/60/170016560.db2.gz UTZPEYHPMSAYBN-GFCCVEGCSA-N 2 1 234.347 1.847 10 0 BDAEMP CC[N@H+]1CC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000037756831 170016561 /nfs/dbraw/zinc/01/65/61/170016561.db2.gz UTZPEYHPMSAYBN-GFCCVEGCSA-N 2 1 234.347 1.847 10 0 BDAEMP CC[NH2+]C1CCN(C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000037485133 170108583 /nfs/dbraw/zinc/10/85/83/170108583.db2.gz FVDYJASLNRAUQV-LBPRGKRZSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[NH2+]C[C@H](C(C)C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104131392 170120869 /nfs/dbraw/zinc/12/08/69/170120869.db2.gz NLEITTJMDUYTHF-CYBMUJFWSA-N 2 1 241.423 1.647 10 0 BDAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)[C@@H](C)C2CC2)CCOC1 ZINC000051217589 170121033 /nfs/dbraw/zinc/12/10/33/170121033.db2.gz JULVUHRVYXVJPQ-GXTWGEPZSA-N 2 1 240.391 1.733 10 0 BDAEMP CC[NH2+]C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000053033598 170122421 /nfs/dbraw/zinc/12/24/21/170122421.db2.gz QMQGBVIYIFIABQ-CQSZACIVSA-N 3 1 239.407 1.260 10 0 BDAEMP CC[NH2+]Cc1cc2c(s1)C[N@@H+](C)CC2 ZINC000045206010 170126089 /nfs/dbraw/zinc/12/60/89/170126089.db2.gz XFLOLWOZSOUBFQ-UHFFFAOYSA-N 2 1 210.346 1.846 10 0 BDAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCOCC2)[C@H](C)C1 ZINC000104193759 170166871 /nfs/dbraw/zinc/16/68/71/170166871.db2.gz ZQSCLSIUWGHPNX-OCCSQVGLSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[NH2+][C@H]1CCOC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926704 170168757 /nfs/dbraw/zinc/16/87/57/170168757.db2.gz YCQNITPYFOKHGG-RYUDHWBXSA-N 2 1 223.320 1.439 10 0 BDAEMP CC[NH2+][C@H]1CCOC[C@@H]1n1cc[nH+]c1C ZINC000043993854 170168962 /nfs/dbraw/zinc/16/89/62/170168962.db2.gz XRBFWFZODTUCOE-QWRGUYRKSA-N 2 1 209.293 1.131 10 0 BDAEMP CCOC1CC[NH+]([C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000041053896 170332087 /nfs/dbraw/zinc/33/20/87/170332087.db2.gz DDHAWXMFYUOUNI-ZJUUUORDSA-N 2 1 200.326 1.223 10 0 BDAEMP CCOC1CC[NH+]([C@H](C)[C@H](C)[NH3+])CC1 ZINC000041053899 170332447 /nfs/dbraw/zinc/33/24/47/170332447.db2.gz DDHAWXMFYUOUNI-VHSXEESVSA-N 2 1 200.326 1.223 10 0 BDAEMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000314935677 411897486 /nfs/dbraw/zinc/89/74/86/411897486.db2.gz RKBBIYMPIZVENI-DGCLKSJQSA-N 2 1 237.347 1.510 10 0 BDAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+](CCO)C2CC2)C1 ZINC000053880318 171056261 /nfs/dbraw/zinc/05/62/61/171056261.db2.gz PJPLCCFFPHBDGV-DYEKYZERSA-N 2 1 240.391 1.597 10 0 BDAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1(C)CC[NH2+]CC1 ZINC000062841794 171110549 /nfs/dbraw/zinc/11/05/49/171110549.db2.gz WNIGOMDXZNUZHG-QWHCGFSZSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC1(C)CC[NH2+]CC1 ZINC000062841792 171112275 /nfs/dbraw/zinc/11/22/75/171112275.db2.gz WNIGOMDXZNUZHG-CHWSQXEVSA-N 2 1 240.391 1.875 10 0 BDAEMP CC[C@H](CC(F)F)C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000662276232 412067296 /nfs/dbraw/zinc/06/72/96/412067296.db2.gz HMZKEASJLDPVPA-AEJSXWLSSA-N 2 1 220.307 1.947 10 0 BDAEMP CC[C@H](CC(F)F)C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000662276232 412067300 /nfs/dbraw/zinc/06/73/00/412067300.db2.gz HMZKEASJLDPVPA-AEJSXWLSSA-N 2 1 220.307 1.947 10 0 BDAEMP CC[C@H](C)[N@@H+](CC)[C@]1(CN)CN2CCC1CC2 ZINC000037112695 171312390 /nfs/dbraw/zinc/31/23/90/171312390.db2.gz IKLLLQPLTYARHP-GXTWGEPZSA-N 2 1 239.407 1.530 10 0 BDAEMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C[NH3+] ZINC000042442789 171331807 /nfs/dbraw/zinc/33/18/07/171331807.db2.gz HCNLNPCWDAHBKL-SDDRHHMPSA-N 2 1 243.395 1.206 10 0 BDAEMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C[NH3+] ZINC000042442789 171331809 /nfs/dbraw/zinc/33/18/09/171331809.db2.gz HCNLNPCWDAHBKL-SDDRHHMPSA-N 2 1 243.395 1.206 10 0 BDAEMP CCc1[nH+]ccn1CC[C@@H]1CCCC[NH2+]1 ZINC000042420121 172024701 /nfs/dbraw/zinc/02/47/01/172024701.db2.gz DCJGYYRUGSZCIR-NSHDSACASA-N 2 1 207.321 1.978 10 0 BDAEMP CCn1cc[nH+]c1N1C[C@H](C[NH3+])CC[C@@H]1C ZINC000053704632 172225825 /nfs/dbraw/zinc/22/58/25/172225825.db2.gz CBEHAMZRHJYSCY-QWRGUYRKSA-N 2 1 222.336 1.467 10 0 BDAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1CCOCC1 ZINC000052205567 173008613 /nfs/dbraw/zinc/00/86/13/173008613.db2.gz AEWLBGFKRWTFBH-ZDUSSCGKSA-N 2 1 226.364 1.629 10 0 BDAEMP CN1CCC[N@@H+](C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070503079 173015173 /nfs/dbraw/zinc/01/51/73/173015173.db2.gz XGNXAXRQEOMARL-OLZOCXBDSA-N 2 1 225.380 1.141 10 0 BDAEMP CN1CCC[N@@H+](CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764295 173015233 /nfs/dbraw/zinc/01/52/33/173015233.db2.gz TYMGFWIOFYVXIQ-ZDUSSCGKSA-N 2 1 225.380 1.156 10 0 BDAEMP C[N@@H+]1CCCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764295 173015235 /nfs/dbraw/zinc/01/52/35/173015235.db2.gz TYMGFWIOFYVXIQ-ZDUSSCGKSA-N 2 1 225.380 1.156 10 0 BDAEMP C[N@H+]1CCCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764295 173015239 /nfs/dbraw/zinc/01/52/39/173015239.db2.gz TYMGFWIOFYVXIQ-ZDUSSCGKSA-N 2 1 225.380 1.156 10 0 BDAEMP C[N@H+]1CCCN([C@H](C[NH3+])CC(C)(C)C)CC1 ZINC000061839712 173016927 /nfs/dbraw/zinc/01/69/27/173016927.db2.gz CQGVXVHZOYDTLK-LBPRGKRZSA-N 2 1 227.396 1.387 10 0 BDAEMP C[N@H+]1CCC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000052172564 173041767 /nfs/dbraw/zinc/04/17/67/173041767.db2.gz ABXVWHPGMAIDNJ-CYBMUJFWSA-N 2 1 226.364 1.344 10 0 BDAEMP CN(Cc1ccc(C[NH3+])o1)[C@H]1CCC[N@@H+](C)C1 ZINC000053249418 173043415 /nfs/dbraw/zinc/04/34/15/173043415.db2.gz LSLVSDSTZKTAII-NSHDSACASA-N 2 1 237.347 1.264 10 0 BDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C(C)(C)[NH3+])C1 ZINC000096963460 173088147 /nfs/dbraw/zinc/08/81/47/173088147.db2.gz PNQDELXWKOGSKG-CQSZACIVSA-N 2 1 247.386 1.540 10 0 BDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C(C)(C)[NH3+])C1 ZINC000096963460 173088148 /nfs/dbraw/zinc/08/81/48/173088148.db2.gz PNQDELXWKOGSKG-CQSZACIVSA-N 2 1 247.386 1.540 10 0 BDAEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000037484729 173117643 /nfs/dbraw/zinc/11/76/43/173117643.db2.gz FVXPZQHVWJSEIK-NSHDSACASA-N 2 1 222.307 1.867 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000037484729 173117645 /nfs/dbraw/zinc/11/76/45/173117645.db2.gz FVXPZQHVWJSEIK-NSHDSACASA-N 2 1 222.307 1.867 10 0 BDAEMP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@@H]1CCCCC1=O ZINC000071191192 173144112 /nfs/dbraw/zinc/14/41/12/173144112.db2.gz WIXUCZJEYHKIAN-STQMWFEESA-N 2 1 238.375 1.629 10 0 BDAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@@H]1CCCCC1=O ZINC000071191192 173144115 /nfs/dbraw/zinc/14/41/15/173144115.db2.gz WIXUCZJEYHKIAN-STQMWFEESA-N 2 1 238.375 1.629 10 0 BDAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@@H]1CCCCC1=O ZINC000071191192 173144117 /nfs/dbraw/zinc/14/41/17/173144117.db2.gz WIXUCZJEYHKIAN-STQMWFEESA-N 2 1 238.375 1.629 10 0 BDAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@@H]1CCCCC1=O ZINC000071191192 173144119 /nfs/dbraw/zinc/14/41/19/173144119.db2.gz WIXUCZJEYHKIAN-STQMWFEESA-N 2 1 238.375 1.629 10 0 BDAEMP C[NH2+]C(C)(C)C[N@H+](C)[C@H]1CCSC1 ZINC000061319570 173319134 /nfs/dbraw/zinc/31/91/34/173319134.db2.gz YVWBZEBFFFGOCA-VIFPVBQESA-N 2 1 202.367 1.422 10 0 BDAEMP C[NH2+]C(C)(C)C[N@@H+](C)[C@H]1CCSC1 ZINC000061319570 173319135 /nfs/dbraw/zinc/31/91/35/173319135.db2.gz YVWBZEBFFFGOCA-VIFPVBQESA-N 2 1 202.367 1.422 10 0 BDAEMP C[NH2+]C(C)(C)C[N@H+](C)[C@@H]1CCSC1 ZINC000061319569 173319207 /nfs/dbraw/zinc/31/92/07/173319207.db2.gz YVWBZEBFFFGOCA-SECBINFHSA-N 2 1 202.367 1.422 10 0 BDAEMP C[NH2+]CC1(C[N@@H+](C)C[C@@H]2C[C@H]2C)CCOCC1 ZINC000104426974 173337519 /nfs/dbraw/zinc/33/75/19/173337519.db2.gz VTQKSXHILCSAMH-OLZOCXBDSA-N 2 1 240.391 1.590 10 0 BDAEMP C[NH2+]CC1(C[N@@H+](CCO)C(C)C)CCCCC1 ZINC000051284646 173337801 /nfs/dbraw/zinc/33/78/01/173337801.db2.gz DCBPQLAGQOPMTD-UHFFFAOYSA-N 2 1 242.407 1.859 10 0 BDAEMP C[NH2+]CCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000053296467 173360995 /nfs/dbraw/zinc/36/09/95/173360995.db2.gz ZSVQNCDYCUTWDI-UHFFFAOYSA-N 2 1 239.388 1.672 10 0 BDAEMP C[NH2+]C[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000077334478 173364789 /nfs/dbraw/zinc/36/47/89/173364789.db2.gz GHLIFMNGAXDQIX-DGCLKSJQSA-N 2 1 222.332 1.260 10 0 BDAEMP C[NH2+]C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000077334478 173364791 /nfs/dbraw/zinc/36/47/91/173364791.db2.gz GHLIFMNGAXDQIX-DGCLKSJQSA-N 2 1 222.332 1.260 10 0 BDAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000095075955 173370935 /nfs/dbraw/zinc/37/09/35/173370935.db2.gz XXYORQBLIVDNEL-KBPBESRZSA-N 2 1 234.343 1.089 10 0 BDAEMP C[NH2+]C[C@H](C)C[N@@H+]1CCc2sccc2C1 ZINC000052382909 173375727 /nfs/dbraw/zinc/37/57/27/173375727.db2.gz WBSDKEJITXYGAO-JTQLQIEISA-N 2 1 224.373 1.962 10 0 BDAEMP C[NH2+]C[C@H](C)C[N@H+]1CCc2sccc2C1 ZINC000052382909 173375729 /nfs/dbraw/zinc/37/57/29/173375729.db2.gz WBSDKEJITXYGAO-JTQLQIEISA-N 2 1 224.373 1.962 10 0 BDAEMP C[NH2+]Cc1ccccc1OCCn1cc[nH+]c1C ZINC000049329401 173390222 /nfs/dbraw/zinc/39/02/22/173390222.db2.gz GDLIKNGHZMFPJK-UHFFFAOYSA-N 2 1 245.326 1.990 10 0 BDAEMP C[NH2+]Cc1cccnc1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191645 173391638 /nfs/dbraw/zinc/39/16/38/173391638.db2.gz JTTFARBZRWIFTD-LBPRGKRZSA-N 2 1 248.374 1.189 10 0 BDAEMP C[NH2+]Cc1occc1C[N@H+]1CCCSCC1 ZINC000052371056 173399752 /nfs/dbraw/zinc/39/97/52/173399752.db2.gz IJYSGAODXXWUBX-UHFFFAOYSA-N 2 1 240.372 1.938 10 0 BDAEMP COCC[N@H+](CCC(N)=[NH2+])CCC(C)C ZINC000082425057 174289571 /nfs/dbraw/zinc/28/95/71/174289571.db2.gz QGYLQTVZKWYTFI-UHFFFAOYSA-N 2 1 215.341 1.307 10 0 BDAEMP COc1ccccc1C[N@@H+](C)C[C@H](C)C[NH3+] ZINC000042441506 175324499 /nfs/dbraw/zinc/32/44/99/175324499.db2.gz KVFBNVVHHBUMAG-LLVKDONJSA-N 2 1 222.332 1.722 10 0 BDAEMP C[C@@H]1CCC[C@@](CO)([N@H+]2CCC[NH2+]CC2)C1 ZINC000038117165 176134100 /nfs/dbraw/zinc/13/41/00/176134100.db2.gz NDPXRTUBVKDYQV-CHWSQXEVSA-N 2 1 226.364 1.223 10 0 BDAEMP C[C@@H]1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000044538703 176171900 /nfs/dbraw/zinc/17/19/00/176171900.db2.gz UUUJKKJBLGYMPV-CHWSQXEVSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1 ZINC000039318914 176202474 /nfs/dbraw/zinc/20/24/74/176202474.db2.gz PQXFFBLKACKRKM-YPMHNXCESA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1 ZINC000039318914 176202476 /nfs/dbraw/zinc/20/24/76/176202476.db2.gz PQXFFBLKACKRKM-YPMHNXCESA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccncc1 ZINC000042427324 176202626 /nfs/dbraw/zinc/20/26/26/176202626.db2.gz DHPMVNHQRDZMKX-YPMHNXCESA-N 2 1 219.332 1.641 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+](C)C1 ZINC000037646708 176278848 /nfs/dbraw/zinc/27/88/48/176278848.db2.gz GHVQRJOPFQJKEL-MQYQWHSLSA-N 2 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[N@H+](C)C1 ZINC000037646708 176278849 /nfs/dbraw/zinc/27/88/49/176278849.db2.gz GHVQRJOPFQJKEL-MQYQWHSLSA-N 2 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[N@@H+](C)C1 ZINC000037646708 176278851 /nfs/dbraw/zinc/27/88/51/176278851.db2.gz GHVQRJOPFQJKEL-MQYQWHSLSA-N 2 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[NH+](C)C1 ZINC000037646708 176278852 /nfs/dbraw/zinc/27/88/52/176278852.db2.gz GHVQRJOPFQJKEL-MQYQWHSLSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[NH+](C)C1 ZINC000037646708 176278853 /nfs/dbraw/zinc/27/88/53/176278853.db2.gz GHVQRJOPFQJKEL-MQYQWHSLSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037646708 176278855 /nfs/dbraw/zinc/27/88/55/176278855.db2.gz GHVQRJOPFQJKEL-MQYQWHSLSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037646708 176278856 /nfs/dbraw/zinc/27/88/56/176278856.db2.gz GHVQRJOPFQJKEL-MQYQWHSLSA-N 3 1 239.407 1.256 10 0 BDAEMP C[C@@H]1C[N@@H+](CCCC[NH2+]C(C)(C)C)CCN1C ZINC000104136173 176288055 /nfs/dbraw/zinc/28/80/55/176288055.db2.gz KXLGGASCIDXVED-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918605 176292181 /nfs/dbraw/zinc/29/21/81/176292181.db2.gz RHDWHPUSHFLURN-OLZOCXBDSA-N 2 1 226.364 1.629 10 0 BDAEMP C[C@@H]1C[NH2+]CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000049662869 176323789 /nfs/dbraw/zinc/32/37/89/176323789.db2.gz BGRDTBHFVXRNGV-NEPJUHHUSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@@H]1C[NH2+]CCCN([C@@H]2CC[N@H+]3CCC[C@H]23)C1 ZINC000044390376 176324697 /nfs/dbraw/zinc/32/46/97/176324697.db2.gz LJTWAEYTGJEPAP-MGPQQGTHSA-N 2 1 237.391 1.155 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccccn1 ZINC000049712387 176371647 /nfs/dbraw/zinc/37/16/47/176371647.db2.gz QKEDKEILPSHPDK-NEPJUHHUSA-N 2 1 219.332 1.436 10 0 BDAEMP C[C@H](C[NH3+])C[N@@H+](C)CCc1ccccc1F ZINC000049819803 176658323 /nfs/dbraw/zinc/65/83/23/176658323.db2.gz VINAZAOPZRBRNY-LLVKDONJSA-N 2 1 224.323 1.895 10 0 BDAEMP C[C@H](c1ccc[nH]1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256818 177035176 /nfs/dbraw/zinc/03/51/76/177035176.db2.gz CAIDLIRCOKEFOF-MNOVXSKESA-N 2 1 207.321 1.746 10 0 BDAEMP C[C@H]1CCCC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061274901 177075728 /nfs/dbraw/zinc/07/57/28/177075728.db2.gz HVCVCOKHFXGETA-ZDUSSCGKSA-N 2 1 225.380 1.156 10 0 BDAEMP C[C@H]1CC[NH+](C2CCN(C)CC2)CC[C@H](C)[NH2+]1 ZINC000049665936 177157780 /nfs/dbraw/zinc/15/77/80/177157780.db2.gz WBBUZQMNIMVBKX-STQMWFEESA-N 2 1 239.407 1.543 10 0 BDAEMP C[C@H]1CC[N@H+](Cc2cccnc2)CCC[NH2+]1 ZINC000049666571 177164899 /nfs/dbraw/zinc/16/48/99/177164899.db2.gz SDXIMGHAESRUQW-LBPRGKRZSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@H]1CC[N@@H+](Cc2cccnc2)CCC[NH2+]1 ZINC000049666571 177164900 /nfs/dbraw/zinc/16/49/00/177164900.db2.gz SDXIMGHAESRUQW-LBPRGKRZSA-N 2 1 219.332 1.656 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](C)CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000049667042 177170169 /nfs/dbraw/zinc/17/01/69/177170169.db2.gz LAWJBYBXPVUVRQ-HZSPNIEDSA-N 2 1 239.407 1.401 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+]([C@@H]2CCCN(C)C2)C1 ZINC000049667042 177170170 /nfs/dbraw/zinc/17/01/70/177170170.db2.gz LAWJBYBXPVUVRQ-HZSPNIEDSA-N 2 1 239.407 1.401 10 0 BDAEMP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+]([C@@H]2CCCN(C)C2)C1 ZINC000049667042 177170171 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ZINC000232148779 641248176 /nfs/dbraw/zinc/24/81/76/641248176.db2.gz BXBLLXDPOIYWBL-STQMWFEESA-N 2 1 226.364 1.351 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000685946272 644518131 /nfs/dbraw/zinc/51/81/31/644518131.db2.gz MYXOOSMZRQVCAB-NWDGAFQWSA-N 2 1 226.270 1.759 10 0 BDAEMP C[N@@H+](C[C@@H]1CC[C@H](C[NH3+])O1)C1CCCCC1 ZINC000052419338 644536639 /nfs/dbraw/zinc/53/66/39/644536639.db2.gz PVMICPPKQWGFBF-OLZOCXBDSA-N 2 1 226.364 1.757 10 0 BDAEMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000250829882 644781845 /nfs/dbraw/zinc/78/18/45/644781845.db2.gz IRCGTRALIPHMPV-VXGBXAGGSA-N 2 1 212.337 1.369 10 0 BDAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CCC[C@@H]32)C1 ZINC000378827434 712363543 /nfs/dbraw/zinc/36/35/43/712363543.db2.gz IFHRYIQAADLTMZ-RVMXOQNASA-N 2 1 208.349 1.988 10 0 BDAEMP C[N@H+](C/C=C\Cl)[C@H]1CCC[NH2+]CC1 ZINC000379360687 712376228 /nfs/dbraw/zinc/37/62/28/712376228.db2.gz BMVWICPTLJBTKP-NWPZZWLHSA-N 2 1 202.729 1.813 10 0 BDAEMP C[N@@H+](C/C=C\Cl)[C@H]1CCC[NH2+]CC1 ZINC000379360687 712376231 /nfs/dbraw/zinc/37/62/31/712376231.db2.gz BMVWICPTLJBTKP-NWPZZWLHSA-N 2 1 202.729 1.813 10 0 BDAEMP COC[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000721915331 710691233 /nfs/dbraw/zinc/69/12/33/710691233.db2.gz UHLONWPVEDHUGF-XUXIUFHCSA-N 2 1 240.391 1.574 10 0 BDAEMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708851913 712201424 /nfs/dbraw/zinc/20/14/24/712201424.db2.gz FNTZBVDBVXLVLR-GRYCIOLGSA-N 2 1 226.364 1.328 10 0 BDAEMP COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)sn1 ZINC000708855497 712201535 /nfs/dbraw/zinc/20/15/35/712201535.db2.gz URXXKDOHXKBGJQ-BDAKNGLRSA-N 2 1 241.360 1.178 10 0 BDAEMP COc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)sn1 ZINC000708855497 712201538 /nfs/dbraw/zinc/20/15/38/712201538.db2.gz URXXKDOHXKBGJQ-BDAKNGLRSA-N 2 1 241.360 1.178 10 0 BDAEMP C[N@@H+](CCOC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000711751453 712323756 /nfs/dbraw/zinc/32/37/56/712323756.db2.gz FJVZIRRUYJKJBI-LLVKDONJSA-N 2 1 212.337 1.239 10 0 BDAEMP COC1CC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000715015294 712503968 /nfs/dbraw/zinc/50/39/68/712503968.db2.gz IDAZITTZEBENCT-YIOUJQMASA-N 2 1 238.375 1.485 10 0 BDAEMP COC1CC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000715015294 712503971 /nfs/dbraw/zinc/50/39/71/712503971.db2.gz IDAZITTZEBENCT-YIOUJQMASA-N 2 1 238.375 1.485 10 0 BDAEMP C(C[C@H]1CCCS1)[NH2+][C@H]1CC[NH2+]C1 ZINC000715731940 712531425 /nfs/dbraw/zinc/53/14/25/712531425.db2.gz LUJLBJABEHVILV-VHSXEESVSA-N 2 1 200.351 1.224 10 0 BDAEMP COCC(C)(C)CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000718768692 712781787 /nfs/dbraw/zinc/78/17/87/712781787.db2.gz ISWWFNNZYRCNPO-SNVBAGLBSA-N 2 1 200.326 1.001 10 0 BDAEMP CC[N@@H+]1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685955194 538900781 /nfs/dbraw/zinc/90/07/81/538900781.db2.gz VUJVQTZWOPKQLX-SECBINFHSA-N 2 1 218.291 1.987 10 0 BDAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685955194 538900783 /nfs/dbraw/zinc/90/07/83/538900783.db2.gz VUJVQTZWOPKQLX-SECBINFHSA-N 2 1 218.291 1.987 10 0 BDAEMP COc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1F ZINC000685965581 538911926 /nfs/dbraw/zinc/91/19/26/538911926.db2.gz JZHVKEAUCVTFQU-SKDRFNHKSA-N 2 1 224.279 1.239 10 0 BDAEMP COc1ccc(F)cc1[C@@H]1C[NH2+]C[C@]1(C)[NH3+] ZINC000685965834 538912259 /nfs/dbraw/zinc/91/22/59/538912259.db2.gz VGLGFQHERKBIHX-JQWIXIFHSA-N 2 1 224.279 1.239 10 0 BDAEMP CCc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 ZINC000685965632 538912431 /nfs/dbraw/zinc/91/24/31/538912431.db2.gz LZRLBOCEMINQDE-STQMWFEESA-N 2 1 204.317 1.653 10 0 BDAEMP Cc1ccc(F)cc1[C@H]1C[NH2+]C[C@]1(C)[NH3+] ZINC000685965669 538912586 /nfs/dbraw/zinc/91/25/86/538912586.db2.gz OGNGHKJBJXAVQB-NEPJUHHUSA-N 2 1 208.280 1.538 10 0 BDAEMP CCC(CC)(C[NH3+])[N@@H+](CCCOC)CCOC ZINC000042420941 168322651 /nfs/dbraw/zinc/32/26/51/168322651.db2.gz RUPFQEPVEQBNQI-UHFFFAOYSA-N 2 1 246.395 1.489 10 0 BDAEMP CCC(CC)(CN)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063120331 168323409 /nfs/dbraw/zinc/32/34/09/168323409.db2.gz DWJXGQBLPSSUIR-UHFFFAOYSA-N 2 1 241.423 1.778 10 0 BDAEMP CCc1nc(N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc(C)[nH+]1 ZINC000385458401 398164642 /nfs/dbraw/zinc/16/46/42/398164642.db2.gz SUESKIOCODAWHY-NWDGAFQWSA-N 2 1 248.374 1.911 10 0 BDAEMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000400507108 398241271 /nfs/dbraw/zinc/24/12/71/398241271.db2.gz DPVFFJWEYWTLIX-QWRGUYRKSA-N 2 1 208.305 1.676 10 0 BDAEMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000400507106 398241342 /nfs/dbraw/zinc/24/13/42/398241342.db2.gz DPVFFJWEYWTLIX-MNOVXSKESA-N 2 1 208.305 1.676 10 0 BDAEMP CC1(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000381258945 538997074 /nfs/dbraw/zinc/99/70/74/538997074.db2.gz RLPDTGSZYYWQFM-LLVKDONJSA-N 2 1 219.332 1.978 10 0 BDAEMP CC(C)(C[NH3+])Nc1cc[nH+]cc1Br ZINC000165050747 342872417 /nfs/dbraw/zinc/87/24/17/342872417.db2.gz UQUGFVQQSFRBOV-UHFFFAOYSA-N 2 1 244.136 1.993 10 0 BDAEMP [NH3+]CC[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000215160816 343077278 /nfs/dbraw/zinc/07/72/78/343077278.db2.gz YENSJAMMGAGXML-AWEZNQCLSA-N 2 1 234.343 1.362 10 0 BDAEMP [NH3+]C[C@H]([NH3+])CC1=Cc2c(F)cccc2CC1 ZINC000141614871 343097068 /nfs/dbraw/zinc/09/70/68/343097068.db2.gz INTCZRUIKONFLU-LLVKDONJSA-N 2 1 220.291 1.831 10 0 BDAEMP c1ccc(C2CC([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000335641472 136308706 /nfs/dbraw/zinc/30/87/06/136308706.db2.gz GBIZCUVSSUBNPM-MOKVOYLWSA-N 2 1 216.328 1.884 10 0 BDAEMP CC[NH+](CC)CCCNc1cc(N)nc(C)[nH+]1 ZINC000128522795 343787208 /nfs/dbraw/zinc/78/72/08/343787208.db2.gz SVMPBQKTNKOMMS-UHFFFAOYSA-N 2 1 237.351 1.511 10 0 BDAEMP CNc1cc(NC2CC[NH+](C)CC2)[nH+]c(C)n1 ZINC000129114258 343787607 /nfs/dbraw/zinc/78/76/07/343787607.db2.gz BVNWROSQJGMEDW-UHFFFAOYSA-N 2 1 235.335 1.333 10 0 BDAEMP [NH3+]CCC[N@H+]1CCOC[C@H]2CCCC[C@@H]21 ZINC000409427466 343801266 /nfs/dbraw/zinc/80/12/66/343801266.db2.gz FHHZJQYYWHYNNN-NEPJUHHUSA-N 2 1 212.337 1.226 10 0 BDAEMP COC[C@H]1C[N@@H+](CCC[NH3+])C[C@@H]1C(F)(F)F ZINC000409430495 343808612 /nfs/dbraw/zinc/80/86/12/343808612.db2.gz IQOIQRRSWLARJP-BDAKNGLRSA-N 2 1 240.269 1.092 10 0 BDAEMP COC[C@H]1C[N@@H+](CCC[NH3+])C[C@H]1C(F)(F)F ZINC000409430498 343808621 /nfs/dbraw/zinc/80/86/21/343808621.db2.gz IQOIQRRSWLARJP-RKDXNWHRSA-N 2 1 240.269 1.092 10 0 BDAEMP COC[C@H]1C[N@@H+](CCC[NH3+])CC12CCC2 ZINC000409435179 343832536 /nfs/dbraw/zinc/83/25/36/343832536.db2.gz STKOUFGJTMSEDW-LLVKDONJSA-N 2 1 212.337 1.084 10 0 BDAEMP COC[C@@H]1C[N@@H+](CCC[NH3+])CC12CCC2 ZINC000409435180 343832762 /nfs/dbraw/zinc/83/27/62/343832762.db2.gz STKOUFGJTMSEDW-NSHDSACASA-N 2 1 212.337 1.084 10 0 BDAEMP COC[C@]12CCC[C@@H]1C[N@@H+](CCC[NH3+])C2 ZINC000409436264 343838086 /nfs/dbraw/zinc/83/80/86/343838086.db2.gz YXFZTBPJGIGWEJ-VXGBXAGGSA-N 2 1 212.337 1.084 10 0 BDAEMP CC(C)[C@@H](C[NH3+])[N@@H+]1CCS[C@@H](C)C1 ZINC000220936412 344643938 /nfs/dbraw/zinc/64/39/38/344643938.db2.gz RHZIZUCMWYMLMZ-VHSXEESVSA-N 2 1 202.367 1.407 10 0 BDAEMP CC(C)[C@@H](C[NH3+])[N@H+]1CCS[C@@H](C)C1 ZINC000220936412 344643941 /nfs/dbraw/zinc/64/39/41/344643941.db2.gz RHZIZUCMWYMLMZ-VHSXEESVSA-N 2 1 202.367 1.407 10 0 BDAEMP C[C@@H]1SCC[C@]1(C[NH3+])[NH2+]Cc1ccccc1 ZINC000235393436 344902046 /nfs/dbraw/zinc/90/20/46/344902046.db2.gz SKDRZRUXEVYVDO-WCQYABFASA-N 2 1 236.384 1.999 10 0 BDAEMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998193 345198389 /nfs/dbraw/zinc/19/83/89/345198389.db2.gz CBHBPTDMESUQOY-LDYMZIIASA-N 2 1 222.336 1.053 10 0 BDAEMP CC(C)n1nccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999026 345199384 /nfs/dbraw/zinc/19/93/84/345199384.db2.gz PAVGVVYSIXBKHN-NEPJUHHUSA-N 2 1 236.363 1.491 10 0 BDAEMP CC(C)n1nccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999026 345199387 /nfs/dbraw/zinc/19/93/87/345199387.db2.gz PAVGVVYSIXBKHN-NEPJUHHUSA-N 2 1 236.363 1.491 10 0 BDAEMP CCc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999686 345200497 /nfs/dbraw/zinc/20/04/97/345200497.db2.gz 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SXJPTMLDGCKVAF-UHFFFAOYSA-N 2 1 205.305 1.753 10 0 BDAEMP COCCC[NH2+][C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000725241369 537978895 /nfs/dbraw/zinc/97/88/95/537978895.db2.gz DXJJSZAFPLDZGD-VXGBXAGGSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1CC1(C[NH3+])CCC1 ZINC000168550203 346737744 /nfs/dbraw/zinc/73/77/44/346737744.db2.gz ICTNEFRYIOQLAD-SNVBAGLBSA-N 2 1 214.378 1.553 10 0 BDAEMP C[N@@H+]([C@H]1CCSC1)[C@H]1CCC[NH2+]CC1 ZINC000250382156 362801907 /nfs/dbraw/zinc/80/19/07/362801907.db2.gz JMICNBQGJDJURM-QWRGUYRKSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@@H](CN[C@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000390644076 259396365 /nfs/dbraw/zinc/39/63/65/259396365.db2.gz LSBYSHRGHQETBZ-ZFWWWQNUSA-N 2 1 247.386 1.458 10 0 BDAEMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669540 323177227 /nfs/dbraw/zinc/17/72/27/323177227.db2.gz VUZYGIJQSVIYCB-MJBXVCDLSA-N 3 1 239.407 1.306 10 0 BDAEMP Cc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH3+])cc1F ZINC000669384691 538016934 /nfs/dbraw/zinc/01/69/34/538016934.db2.gz BLCNFDTWVJJUIV-CMPLNLGQSA-N 2 1 208.280 1.538 10 0 BDAEMP O[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250672088 538024240 /nfs/dbraw/zinc/02/42/40/538024240.db2.gz VEOJNDLOADDGJY-XDQVBPFNSA-N 2 1 238.375 1.506 10 0 BDAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000302409601 350087417 /nfs/dbraw/zinc/08/74/17/350087417.db2.gz PKHHFZFDCXZAAV-YPMHNXCESA-N 2 1 240.391 1.467 10 0 BDAEMP Cc1[nH+]ccn1CCOc1cccc(C[NH3+])c1 ZINC000037050491 180262866 /nfs/dbraw/zinc/26/28/66/180262866.db2.gz IKXQBTLOGBGUHT-UHFFFAOYSA-N 2 1 231.299 1.729 10 0 BDAEMP Cc1[nH+]ccn1CCOc1cccc(CC[NH3+])c1 ZINC000049331351 180263018 /nfs/dbraw/zinc/26/30/18/180263018.db2.gz JHFWNSNULNEKEM-UHFFFAOYSA-N 2 1 245.326 1.772 10 0 BDAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccsc1 ZINC000043124115 180270909 /nfs/dbraw/zinc/27/09/09/180270909.db2.gz VCYSBJBNBIEEEZ-SNVBAGLBSA-N 2 1 207.302 1.801 10 0 BDAEMP Cc1[nH+]cn(C[C@H]2CC[C@@H](C[NH3+])O2)c1C ZINC000052593601 180287505 /nfs/dbraw/zinc/28/75/05/180287505.db2.gz DKFNGJUDDIIQOP-WDEREUQCSA-N 2 1 209.293 1.006 10 0 BDAEMP Cc1[nH+]cn(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1C ZINC000052593721 180287960 /nfs/dbraw/zinc/28/79/60/180287960.db2.gz WNRPJDANHOHDQU-UONOGXRCSA-N 2 1 249.358 1.800 10 0 BDAEMP C[C@H]([NH3+])CC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226682446 350448378 /nfs/dbraw/zinc/44/83/78/350448378.db2.gz JEHUFOMHUTWEDH-LPEHRKFASA-N 2 1 202.367 1.550 10 0 BDAEMP CCN1CC[NH+](C2(C(C)C)CC[NH2+]CC2)CC1 ZINC000725267283 538097729 /nfs/dbraw/zinc/09/77/29/538097729.db2.gz WEJBWZQCLRINHO-UHFFFAOYSA-N 2 1 239.407 1.402 10 0 BDAEMP C[C@H]1CSCC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC000251891958 362980173 /nfs/dbraw/zinc/98/01/73/362980173.db2.gz VQSPBDVAJFBPSG-QWRGUYRKSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 ZINC000251853373 350904607 /nfs/dbraw/zinc/90/46/07/350904607.db2.gz RSFROWGUWKGZOW-BBBLOLIVSA-N 2 1 200.351 1.304 10 0 BDAEMP C[N@@H+](C1CCC1)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000252979259 350918055 /nfs/dbraw/zinc/91/80/55/350918055.db2.gz HATBHBIKZPYZQK-NEPJUHHUSA-N 2 1 240.347 1.094 10 0 BDAEMP CC(C)(C)[N@H+]1CCOCC[C@H]1CC[NH3+] ZINC000616655796 351201390 /nfs/dbraw/zinc/20/13/90/351201390.db2.gz CIXXLJLSHFWOLT-SNVBAGLBSA-N 2 1 200.326 1.225 10 0 BDAEMP C[C@@H]1C[C@@H](C)[N@@H+](C2(C[NH3+])CSC2)C1 ZINC000306979240 351397344 /nfs/dbraw/zinc/39/73/44/351397344.db2.gz FMADTRUWCGLECW-RKDXNWHRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[C@@H](C)[N@H+](C2(C[NH3+])CSC2)C1 ZINC000306979240 351397346 /nfs/dbraw/zinc/39/73/46/351397346.db2.gz FMADTRUWCGLECW-RKDXNWHRSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CC[NH2+]C[C@@H]2C)CCS1 ZINC000307030336 351431429 /nfs/dbraw/zinc/43/14/29/351431429.db2.gz DNLWGMRFGHDXHV-AXFHLTTASA-N 2 1 214.378 1.422 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@@H+]1CCC=C(Cl)C1 ZINC000404388047 351416684 /nfs/dbraw/zinc/41/66/84/351416684.db2.gz GJYYOFOKNGWNDZ-WPRPVWTQSA-N 2 1 200.713 1.552 10 0 BDAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CCC=C(Cl)C1 ZINC000404388047 351416685 /nfs/dbraw/zinc/41/66/85/351416685.db2.gz GJYYOFOKNGWNDZ-WPRPVWTQSA-N 2 1 200.713 1.552 10 0 BDAEMP C[C@@H]1SCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 ZINC000307245275 351753340 /nfs/dbraw/zinc/75/33/40/351753340.db2.gz MBGQGVJQQGZIQM-NFTFJBJSSA-N 2 1 200.351 1.302 10 0 BDAEMP Cl/C=C/C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000307326731 352020654 /nfs/dbraw/zinc/02/06/54/352020654.db2.gz NQCJAFWANROYSH-AOXPZSFVSA-N 2 1 200.713 1.280 10 0 BDAEMP Cl/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000307326731 352020657 /nfs/dbraw/zinc/02/06/57/352020657.db2.gz NQCJAFWANROYSH-AOXPZSFVSA-N 2 1 200.713 1.280 10 0 BDAEMP CN(CC(C)(C)C[NH3+])c1[nH+]cnc2[nH]ccc21 ZINC000420205755 192175041 /nfs/dbraw/zinc/17/50/41/192175041.db2.gz OCIFUVFMKCXXOP-UHFFFAOYSA-N 2 1 233.319 1.379 10 0 BDAEMP CCCC[N@@H+](CCO)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725271087 538103226 /nfs/dbraw/zinc/10/32/26/538103226.db2.gz XCOHKWBKOZNRTM-ROKHWSDSSA-N 2 1 240.391 1.741 10 0 BDAEMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C2CSC2)C1 ZINC000307466953 352615885 /nfs/dbraw/zinc/61/58/85/352615885.db2.gz KGGZYYHLRBLVDA-IUCAKERBSA-N 2 1 200.351 1.161 10 0 BDAEMP CS[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000300813350 352575468 /nfs/dbraw/zinc/57/54/68/352575468.db2.gz HPKZPFLHBWIBMN-SNVBAGLBSA-N 2 1 216.394 1.941 10 0 BDAEMP C[C@@H]1CC[N@H+](C2CSC2)C[C@H]1C[NH3+] ZINC000307552759 352648206 /nfs/dbraw/zinc/64/82/06/352648206.db2.gz CVLRKPDVOFCODL-RKDXNWHRSA-N 2 1 200.351 1.019 10 0 BDAEMP CCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000250755849 535187520 /nfs/dbraw/zinc/18/75/20/535187520.db2.gz FLHHNUFXGIIPSE-MGPQQGTHSA-N 2 1 240.391 1.875 10 0 BDAEMP C[C@H]1C[C@H](C[NH3+])CN1c1[nH+]cnc2[nH]ccc21 ZINC000420223218 192178126 /nfs/dbraw/zinc/17/81/26/192178126.db2.gz ZSIOYMCZQGQCOI-DTWKUNHWSA-N 2 1 231.303 1.131 10 0 BDAEMP CC(C)[C@H](C)[N@H+](C)[C@H]1COCC[C@@H]1[NH3+] ZINC000252408714 363237284 /nfs/dbraw/zinc/23/72/84/363237284.db2.gz JJSZFWIZHBPKMX-DCAQKATOSA-N 2 1 200.326 1.079 10 0 BDAEMP CC(C)[C@H](C)[N@@H+](C)[C@H]1COCC[C@@H]1[NH3+] ZINC000252408714 363237285 /nfs/dbraw/zinc/23/72/85/363237285.db2.gz JJSZFWIZHBPKMX-DCAQKATOSA-N 2 1 200.326 1.079 10 0 BDAEMP FC1(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000379460261 358499781 /nfs/dbraw/zinc/49/97/81/358499781.db2.gz RPRGGXIMJJPMBG-SNVBAGLBSA-N 2 1 223.295 1.537 10 0 BDAEMP C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@H]1[NH3+] ZINC000035243961 356425815 /nfs/dbraw/zinc/42/58/15/356425815.db2.gz RZVSOYGQEATDPB-CHWSQXEVSA-N 2 1 204.317 1.998 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@H]1[NH3+] ZINC000035243961 356425821 /nfs/dbraw/zinc/42/58/21/356425821.db2.gz RZVSOYGQEATDPB-CHWSQXEVSA-N 2 1 204.317 1.998 10 0 BDAEMP CCC[N@@H+](CC)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052448427 538470482 /nfs/dbraw/zinc/47/04/82/538470482.db2.gz LYXVMBFGZYJZTO-MNOVXSKESA-N 2 1 200.326 1.225 10 0 BDAEMP CC[N@@H+](C)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059519 538484590 /nfs/dbraw/zinc/48/45/90/538484590.db2.gz QZXYOCUNPSAVKR-CQSZACIVSA-N 2 1 234.343 1.317 10 0 BDAEMP [NH3+][C@@H]1C=C(CCc2cccs2)C[NH2+]C1 ZINC000675078199 538515116 /nfs/dbraw/zinc/51/51/16/538515116.db2.gz NJURCJJDJUIJGN-SNVBAGLBSA-N 2 1 208.330 1.538 10 0 BDAEMP COC1CCC(C2=C[C@H]([NH3+])C[NH2+]C2)CC1 ZINC000675078488 538516184 /nfs/dbraw/zinc/51/61/84/538516184.db2.gz QBSWTOVRXYUKSZ-ZYXZCXLHSA-N 2 1 210.321 1.049 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CCCSC2)C[C@@]1(C)C[NH3+] ZINC000389581650 356993646 /nfs/dbraw/zinc/99/36/46/356993646.db2.gz HHQYCOJIVRGHRZ-GRYCIOLGSA-N 2 1 228.405 1.799 10 0 BDAEMP CCc1nc(N[C@H]2C[NH2+]CC[C@H]2C)cc(C)[nH+]1 ZINC000389719873 357019326 /nfs/dbraw/zinc/01/93/26/357019326.db2.gz DSOZMBBECTXUQE-KOLCDFICSA-N 2 1 234.347 1.179 10 0 BDAEMP COc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1C ZINC000685945819 538886781 /nfs/dbraw/zinc/88/67/81/538886781.db2.gz BQERXUYRJXPKFE-AAEUAGOBSA-N 2 1 220.316 1.408 10 0 BDAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccc(F)c(C)c1 ZINC000685945863 538887146 /nfs/dbraw/zinc/88/71/46/538887146.db2.gz CSHWPQUDKURUSE-WCQYABFASA-N 2 1 222.307 1.928 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 ZINC000685946338 538888030 /nfs/dbraw/zinc/88/80/30/538888030.db2.gz PQIGHBNGZSEQAQ-GHMZBOCLSA-N 2 1 212.243 1.369 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CC[C@H](F)C1 ZINC000685951446 538895105 /nfs/dbraw/zinc/89/51/05/538895105.db2.gz UPESPTKIXYWYQG-ZRUFSTJUSA-N 2 1 200.301 1.274 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CC[C@H](F)C1 ZINC000685951446 538895106 /nfs/dbraw/zinc/89/51/06/538895106.db2.gz UPESPTKIXYWYQG-ZRUFSTJUSA-N 2 1 200.301 1.274 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CC[C@@H](F)C1 ZINC000685951444 538895289 /nfs/dbraw/zinc/89/52/89/538895289.db2.gz UPESPTKIXYWYQG-OPRDCNLKSA-N 2 1 200.301 1.274 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CC[C@@H](F)C1 ZINC000685951444 538895290 /nfs/dbraw/zinc/89/52/90/538895290.db2.gz UPESPTKIXYWYQG-OPRDCNLKSA-N 2 1 200.301 1.274 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[NH+]1[C@@H](C)COC[C@@H]1C ZINC000685951716 538895539 /nfs/dbraw/zinc/89/55/39/538895539.db2.gz WEZVPLINQXHYSR-FPYNETTCSA-N 2 1 226.364 1.340 10 0 BDAEMP C(C[NH2+][C@@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000168709571 134246589 /nfs/dbraw/zinc/24/65/89/134246589.db2.gz UNMJTTMUAHJRJD-CYBMUJFWSA-N 3 1 225.380 1.204 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000049694006 358698888 /nfs/dbraw/zinc/69/88/88/358698888.db2.gz IGLRCYNAQNZXFJ-RWMBFGLXSA-N 2 1 226.364 1.485 10 0 BDAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000049694006 358698892 /nfs/dbraw/zinc/69/88/92/358698892.db2.gz IGLRCYNAQNZXFJ-RWMBFGLXSA-N 2 1 226.364 1.485 10 0 BDAEMP CCCNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000052042772 358772451 /nfs/dbraw/zinc/77/24/51/358772451.db2.gz JCXGOUVLCOQLJU-YOGCLGLASA-N 2 1 238.379 1.383 10 0 BDAEMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396644431 358942426 /nfs/dbraw/zinc/94/24/26/358942426.db2.gz BWGNRIDTRPQVHH-GRYCIOLGSA-N 2 1 222.336 1.002 10 0 BDAEMP CS[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 ZINC000300393115 358987880 /nfs/dbraw/zinc/98/78/80/358987880.db2.gz WGHFUQMXIFQCRP-GMTAPVOTSA-N 2 1 214.378 1.551 10 0 BDAEMP CC[NH+](CC)CCNC1=[NH+]CCc2ccccc21 ZINC000000001583 359614247 /nfs/dbraw/zinc/61/42/47/359614247.db2.gz WLDFBDNWPZFNJD-UHFFFAOYSA-N 2 1 245.370 1.921 10 0 in-man BDAEMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578638177 366615520 /nfs/dbraw/zinc/61/55/20/366615520.db2.gz BGWVIAVLQRROBT-KBPBESRZSA-N 3 1 241.423 1.694 10 0 BDAEMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578638177 366615522 /nfs/dbraw/zinc/61/55/22/366615522.db2.gz BGWVIAVLQRROBT-KBPBESRZSA-N 3 1 241.423 1.694 10 0 BDAEMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578638177 366615523 /nfs/dbraw/zinc/61/55/23/366615523.db2.gz BGWVIAVLQRROBT-KBPBESRZSA-N 3 1 241.423 1.694 10 0 BDAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@H+]1CCSC[C@H]1C ZINC000306532668 360392247 /nfs/dbraw/zinc/39/22/47/360392247.db2.gz BZMUPNAIEDWXFZ-GMTAPVOTSA-N 2 1 214.378 1.422 10 0 BDAEMP C[NH2+]C1(C[N@@H+]2CCCSCC2)CCC1 ZINC000306545355 360414295 /nfs/dbraw/zinc/41/42/95/360414295.db2.gz ATWQPZXVFUETNN-UHFFFAOYSA-N 2 1 214.378 1.567 10 0 BDAEMP C[NH2+]C1(C[N@H+]2CCCSCC2)CCC1 ZINC000306545355 360414297 /nfs/dbraw/zinc/41/42/97/360414297.db2.gz ATWQPZXVFUETNN-UHFFFAOYSA-N 2 1 214.378 1.567 10 0 BDAEMP COC[C@@H](C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309470847 491149235 /nfs/dbraw/zinc/14/92/35/491149235.db2.gz QQVCCDYPHXHURV-WDEREUQCSA-N 2 1 223.320 1.070 10 0 BDAEMP CC[C@@H]1CS[C@](C)([C@H]2CC[NH2+]C2)[NH2+]1 ZINC000306588868 360494103 /nfs/dbraw/zinc/49/41/03/360494103.db2.gz WDMSQGQLTRKRNU-IVZWLZJFSA-N 2 1 200.351 1.427 10 0 BDAEMP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309720132 491154956 /nfs/dbraw/zinc/15/49/56/491154956.db2.gz VSECOBWYJIDKSG-AAEUAGOBSA-N 2 1 226.364 1.221 10 0 BDAEMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(C)C ZINC000629572579 361463955 /nfs/dbraw/zinc/46/39/55/361463955.db2.gz XQWATHSAOGEKMW-LLVKDONJSA-N 2 1 202.342 1.199 10 0 BDAEMP CCCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630354780 364077839 /nfs/dbraw/zinc/07/78/39/364077839.db2.gz AYCMXHCWESRCDL-MNOVXSKESA-N 2 1 200.326 1.225 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCCC[C@@H]2CO)CCCC1 ZINC000051256742 181358651 /nfs/dbraw/zinc/35/86/51/181358651.db2.gz TZRTZRWBGWLNSW-GFCCVEGCSA-N 2 1 226.364 1.352 10 0 BDAEMP Cc1cc(N2CCCCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000630549027 364242391 /nfs/dbraw/zinc/24/23/91/364242391.db2.gz HGWADNYNXPGWFM-GFCCVEGCSA-N 2 1 234.347 1.801 10 0 BDAEMP [NH3+]CC1(C[NH+]2Cc3ccccc3C2)CCOCC1 ZINC000052182107 181359390 /nfs/dbraw/zinc/35/93/90/181359390.db2.gz MFMSEKDQEBVILZ-UHFFFAOYSA-N 2 1 246.354 1.758 10 0 BDAEMP C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1C[NH3+] ZINC000630572300 364268160 /nfs/dbraw/zinc/26/81/60/364268160.db2.gz QXXGZNOFFAWRHK-RKDXNWHRSA-N 2 1 225.723 1.766 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386017492 367898594 /nfs/dbraw/zinc/89/85/94/367898594.db2.gz NXMMKXIXEMSACB-IHRRRGAJSA-N 2 1 239.407 1.591 10 0 BDAEMP CC[NH2+]CCCNc1[nH+]c2ccccc2n1C ZINC000079047806 368464838 /nfs/dbraw/zinc/46/48/38/368464838.db2.gz OPLWDFCCMYHVOA-UHFFFAOYSA-N 2 1 232.331 1.985 10 0 BDAEMP C[C@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000631842405 369366982 /nfs/dbraw/zinc/36/69/82/369366982.db2.gz ZYRYLCZVTVMORK-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000631842405 369366990 /nfs/dbraw/zinc/36/69/90/369366990.db2.gz ZYRYLCZVTVMORK-ONGXEEELSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000390495341 371208209 /nfs/dbraw/zinc/20/82/09/371208209.db2.gz RPEBYVOPWUULRM-GRYCIOLGSA-N 2 1 219.332 1.976 10 0 BDAEMP C[C@H](CO)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230030930 371637866 /nfs/dbraw/zinc/63/78/66/371637866.db2.gz RTSBJNNOTCUGRS-ZDUSSCGKSA-N 2 1 236.359 1.466 10 0 BDAEMP C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836888 372624709 /nfs/dbraw/zinc/62/47/09/372624709.db2.gz IPJVBNVXVQCSHA-OCCSQVGLSA-N 2 1 218.344 1.756 10 0 BDAEMP C[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@@H]1C[NH3+] ZINC000631841813 372639129 /nfs/dbraw/zinc/63/91/29/372639129.db2.gz QBOHKZUVOCQQDX-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@@H]1C[NH3+] ZINC000631841813 372639135 /nfs/dbraw/zinc/63/91/35/372639135.db2.gz QBOHKZUVOCQQDX-KOLCDFICSA-N 2 1 240.297 1.991 10 0 BDAEMP CCCCOCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842240 372641610 /nfs/dbraw/zinc/64/16/10/372641610.db2.gz XKSLLMTXYADUND-RYUDHWBXSA-N 2 1 214.353 1.330 10 0 BDAEMP CC(C)[NH2+][C@]1(C[NH3+])CCOC(C)(C)C1 ZINC000069892507 373970972 /nfs/dbraw/zinc/97/09/72/373970972.db2.gz AECYPMKJCMHDMX-LLVKDONJSA-N 2 1 200.326 1.271 10 0 BDAEMP CCCC[C@H](C[NH3+])Nc1cc(C)[nH+]c(CC)n1 ZINC000336719714 169002801 /nfs/dbraw/zinc/00/28/01/169002801.db2.gz WCGUXHISZPTTQV-LLVKDONJSA-N 2 1 236.363 1.699 10 0 BDAEMP O[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310216263 183238724 /nfs/dbraw/zinc/23/87/24/183238724.db2.gz FENDYYISTSSVGP-FZMZJTMJSA-N 2 1 238.375 1.364 10 0 BDAEMP CCCNC(=O)C[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000037034853 169218745 /nfs/dbraw/zinc/21/87/45/169218745.db2.gz DLKQSUHPFVKXKM-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCCNC(=O)C[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000037034853 169218748 /nfs/dbraw/zinc/21/87/48/169218748.db2.gz DLKQSUHPFVKXKM-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CCC[NH2+]CCC[N@@H+](CCCOC)CCOC ZINC000042424586 169256940 /nfs/dbraw/zinc/25/69/40/169256940.db2.gz IUAGAEGZKOVALN-UHFFFAOYSA-N 2 1 246.395 1.361 10 0 BDAEMP CCC[NH2+]CC[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419954 169260090 /nfs/dbraw/zinc/26/00/90/169260090.db2.gz QKIHXFHDFULWBV-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000052419954 169260092 /nfs/dbraw/zinc/26/00/92/169260092.db2.gz QKIHXFHDFULWBV-CYBMUJFWSA-N 2 1 241.423 1.791 10 0 BDAEMP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1CCC(N)=O ZINC000104429863 169286273 /nfs/dbraw/zinc/28/62/73/169286273.db2.gz IGXKETUWWHBZQL-NEPJUHHUSA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1CCC(N)=O ZINC000104429863 169286274 /nfs/dbraw/zinc/28/62/74/169286274.db2.gz IGXKETUWWHBZQL-NEPJUHHUSA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)[C@@H]2CCCO2)C1 ZINC000053031167 169264923 /nfs/dbraw/zinc/26/49/23/169264923.db2.gz VODDZMXKMMNWLM-MJBXVCDLSA-N 2 1 240.391 1.875 10 0 BDAEMP c1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC000038530193 183396465 /nfs/dbraw/zinc/39/64/65/183396465.db2.gz AMJUPHWNJCTBKN-UHFFFAOYSA-N 2 1 216.328 1.872 10 0 BDAEMP c1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC000038530193 183396466 /nfs/dbraw/zinc/39/64/66/183396466.db2.gz AMJUPHWNJCTBKN-UHFFFAOYSA-N 2 1 216.328 1.872 10 0 BDAEMP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@@H+](C)CCO ZINC000053869786 169292332 /nfs/dbraw/zinc/29/23/32/169292332.db2.gz SXHVGSBSQLQDLN-MJBXVCDLSA-N 2 1 242.407 1.715 10 0 BDAEMP CCC[C@@H]([NH3+])[C@H](CC)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188693 169392700 /nfs/dbraw/zinc/39/27/00/169392700.db2.gz XWDGTZFHIIBRLF-MCIONIFRSA-N 2 1 241.423 1.776 10 0 BDAEMP NC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035677113 383867161 /nfs/dbraw/zinc/86/71/61/383867161.db2.gz DACCINGOQFWAFJ-QMMMGPOBSA-N 2 1 205.088 1.952 10 0 BDAEMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000095072279 384343196 /nfs/dbraw/zinc/34/31/96/384343196.db2.gz ZQDINQSIVZDTEE-NWDGAFQWSA-N 2 1 205.305 1.441 10 0 BDAEMP CCSCC[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000372468485 384515152 /nfs/dbraw/zinc/51/51/52/384515152.db2.gz HWZZWJOMLRHFAL-JTQLQIEISA-N 2 1 225.361 1.541 10 0 BDAEMP C[C@@H]([NH3+])[C@@H]([NH+]1CCSCC1)C(C)(C)C ZINC000043291936 384722725 /nfs/dbraw/zinc/72/27/25/384722725.db2.gz LQTSIOVIYHHEFU-NXEZZACHSA-N 2 1 216.394 1.797 10 0 BDAEMP CCOC[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000375840492 384823604 /nfs/dbraw/zinc/82/36/04/384823604.db2.gz LOSFSMVIQHWXOQ-MNOVXSKESA-N 2 1 223.320 1.213 10 0 BDAEMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000177244887 384926568 /nfs/dbraw/zinc/92/65/68/384926568.db2.gz KNORBRWBRRFRHH-YPMHNXCESA-N 2 1 226.364 1.221 10 0 BDAEMP [NH3+][C@@H]1CCC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000335581042 384935638 /nfs/dbraw/zinc/93/56/38/384935638.db2.gz MBAXLSRXZRNBMI-BDAKNGLRSA-N 2 1 225.723 1.839 10 0 BDAEMP CCO[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000307243032 385246628 /nfs/dbraw/zinc/24/66/28/385246628.db2.gz JBNYOYGGGFPKPS-KGLIPLIRSA-N 2 1 234.343 1.482 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCSC1)C2 ZINC000309087129 385410077 /nfs/dbraw/zinc/41/00/77/385410077.db2.gz ZBOXERQSEZEMFF-UWVGGRQHSA-N 2 1 223.345 1.293 10 0 BDAEMP CO[C@H](C)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000182183282 385643324 /nfs/dbraw/zinc/64/33/24/385643324.db2.gz QCJBXJXAGBBHFX-CHWSQXEVSA-N 2 1 249.358 1.850 10 0 BDAEMP C[C@@H](C[NH3+])Nc1cc[nH+]cc1Br ZINC000159902576 385746761 /nfs/dbraw/zinc/74/67/61/385746761.db2.gz YTWCSPYCAARTBG-LURJTMIESA-N 2 1 230.109 1.603 10 0 BDAEMP C[N@H+](Cc1ccccc1)[C@@H]1CCNC[C@H]1F ZINC000575458648 387028785 /nfs/dbraw/zinc/02/87/85/387028785.db2.gz KMNKVEKMMUFWDN-CHWSQXEVSA-N 2 1 222.307 1.818 10 0 BDAEMP C[C@H]1CSCC[N@H+]1CC1CC([NH3+])C1 ZINC000575467469 387076212 /nfs/dbraw/zinc/07/62/12/387076212.db2.gz QVIZDYWEJOLJDQ-IDKOKCKLSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@H]1CC[N@@H+]1[C@]1(C[NH3+])CS[C@H](C)C1 ZINC000575590690 387204629 /nfs/dbraw/zinc/20/46/29/387204629.db2.gz KYWVUOFXVXKBDF-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1CC[N@H+]1[C@]1(C[NH3+])CS[C@H](C)C1 ZINC000575590690 387204632 /nfs/dbraw/zinc/20/46/32/387204632.db2.gz KYWVUOFXVXKBDF-IVZWLZJFSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1C1CCSCC1 ZINC000575593155 387221274 /nfs/dbraw/zinc/22/12/74/387221274.db2.gz YAVSAZNDESEZTJ-IUCAKERBSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1C[C@H]([NH3+])C[N@H+]1C1CCSCC1 ZINC000575593155 387221282 /nfs/dbraw/zinc/22/12/82/387221282.db2.gz YAVSAZNDESEZTJ-IUCAKERBSA-N 2 1 200.351 1.304 10 0 BDAEMP FCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000121432541 387352317 /nfs/dbraw/zinc/35/23/17/387352317.db2.gz RBGBSTYJHYIJBO-UHFFFAOYSA-N 2 1 214.328 1.906 10 0 BDAEMP CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422972457 387820309 /nfs/dbraw/zinc/82/03/09/387820309.db2.gz LRDTVWHCKMXJNO-BFHYXJOUSA-N 2 1 239.407 1.306 10 0 BDAEMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422972457 387820314 /nfs/dbraw/zinc/82/03/14/387820314.db2.gz LRDTVWHCKMXJNO-BFHYXJOUSA-N 3 1 239.407 1.306 10 0 BDAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422972457 387820316 /nfs/dbraw/zinc/82/03/16/387820316.db2.gz LRDTVWHCKMXJNO-BFHYXJOUSA-N 3 1 239.407 1.306 10 0 BDAEMP C[C@@H]([NH2+]CCN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643459132 387832909 /nfs/dbraw/zinc/83/29/09/387832909.db2.gz BCVANIZKEUJYAX-ZIAGYGMSSA-N 2 1 239.407 1.450 10 0 BDAEMP COC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527671 135152005 /nfs/dbraw/zinc/15/20/05/135152005.db2.gz FPYSCQJXVUOPEQ-VHSXEESVSA-N 2 1 200.326 1.081 10 0 BDAEMP CC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000083462738 388052823 /nfs/dbraw/zinc/05/28/23/388052823.db2.gz KDRYYXBBICZMMA-WVMKXHBISA-N 2 1 226.364 1.362 10 0 BDAEMP c1ccc(OCCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086729762 388107784 /nfs/dbraw/zinc/10/77/84/388107784.db2.gz JMDQFFRZLLJJRU-LBPRGKRZSA-N 2 1 220.316 1.407 10 0 BDAEMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086724709 388107978 /nfs/dbraw/zinc/10/79/78/388107978.db2.gz SLKNLMABKPWFTA-QWHCGFSZSA-N 3 1 227.396 1.448 10 0 BDAEMP CC[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181124823 256586680 /nfs/dbraw/zinc/58/66/80/256586680.db2.gz MIWZJQIGWQFDEC-QWHCGFSZSA-N 2 1 242.407 1.810 10 0 BDAEMP [NH3+]C[C@H]1CC[C@@H]([NH+]=c2[nH]c3ccccc3[nH]2)C1 ZINC000335578713 388452064 /nfs/dbraw/zinc/45/20/64/388452064.db2.gz GCXZCVOTFOEJEK-VHSXEESVSA-N 2 1 230.315 1.524 10 0 BDAEMP C[C@H]([NH3+])C[C@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000165732183 388409959 /nfs/dbraw/zinc/40/99/59/388409959.db2.gz ZTJJLXWWAVVRHG-IUCAKERBSA-N 2 1 223.324 1.080 10 0 BDAEMP C[N@H+]([C@@H]1CCSC1)[C@@H]1CCCC[NH2+]C1 ZINC000054135013 388593221 /nfs/dbraw/zinc/59/32/21/388593221.db2.gz AHQMHUGLLHHXGT-GHMZBOCLSA-N 2 1 214.378 1.566 10 0 BDAEMP C[N@@H+]([C@@H]1CCSC1)[C@@H]1CCCC[NH2+]C1 ZINC000054135013 388593222 /nfs/dbraw/zinc/59/32/22/388593222.db2.gz AHQMHUGLLHHXGT-GHMZBOCLSA-N 2 1 214.378 1.566 10 0 BDAEMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364374070 388563902 /nfs/dbraw/zinc/56/39/02/388563902.db2.gz IYJXVTFYZMNGJV-ONGXEEELSA-N 2 1 205.305 1.586 10 0 BDAEMP CC1C[NH+]([C@]2(C[NH3+])CSC[C@H]2C)C1 ZINC000575494712 388953976 /nfs/dbraw/zinc/95/39/76/388953976.db2.gz XMDRXUNRRZMKGX-NXEZZACHSA-N 2 1 200.351 1.019 10 0 BDAEMP Cc1ccc(N2CC[NH+](C[C@@H](C)C[NH3+])CC2)nc1 ZINC000037039512 132343442 /nfs/dbraw/zinc/34/34/42/132343442.db2.gz MCXVEDBAJFNUFG-ZDUSSCGKSA-N 2 1 248.374 1.107 10 0 BDAEMP CC[C@H](CC[NH3+])[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000037039548 132343453 /nfs/dbraw/zinc/34/34/53/132343453.db2.gz FCHQKSMTMPIEND-CYBMUJFWSA-N 3 1 248.374 1.331 10 0 BDAEMP [NH3+]C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000089223888 132427685 /nfs/dbraw/zinc/42/76/85/132427685.db2.gz RHCUYMJXJPFWAA-VIFPVBQESA-N 2 1 231.303 1.133 10 0 BDAEMP C(CN1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000179245148 134318745 /nfs/dbraw/zinc/31/87/45/134318745.db2.gz WZFYMMCIGVUEMC-CQSZACIVSA-N 2 1 237.391 1.252 10 0 BDAEMP C([C@@H]1CC[N@H+](C2CCC2)C1)N1CCOCC1 ZINC000179580106 134321896 /nfs/dbraw/zinc/32/18/96/134321896.db2.gz QKCHZJWJRJDTHH-LBPRGKRZSA-N 2 1 224.348 1.193 10 0 BDAEMP c1cn(CCC[N@H+]2CCO[C@H]3CCCC[C@@H]32)cn1 ZINC000183162856 134349146 /nfs/dbraw/zinc/34/91/46/134349146.db2.gz QWCFHZPSLGMZAS-KBPBESRZSA-N 2 1 249.358 1.917 10 0 BDAEMP C[C@H](O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541351 134382732 /nfs/dbraw/zinc/38/27/32/134382732.db2.gz KEEJRILJRMIOBX-ZWKOPEQDSA-N 2 1 220.316 1.492 10 0 BDAEMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCC2)CC[C@H]1O ZINC000251674935 135073056 /nfs/dbraw/zinc/07/30/56/135073056.db2.gz MKSBXXWBJIAJLR-CHWSQXEVSA-N 2 1 226.364 1.175 10 0 BDAEMP Cc1cccc(N[C@@H]2CC[C@@H](C[NH3+])C2)[nH+]1 ZINC000257666493 135138711 /nfs/dbraw/zinc/13/87/11/135138711.db2.gz ZFFMABKYAPAYGZ-GHMZBOCLSA-N 2 1 205.305 1.929 10 0 BDAEMP CCOCC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261529749 135156617 /nfs/dbraw/zinc/15/66/17/135156617.db2.gz UZPNBUNABMKJAD-JTQLQIEISA-N 2 1 200.326 1.082 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncc(F)c3)C[C@@H]12 ZINC000261540384 135179529 /nfs/dbraw/zinc/17/95/29/135179529.db2.gz ABGSWHXDBBNZJO-RAIGVLPGSA-N 2 1 235.306 1.390 10 0 BDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc(F)c3)C[C@@H]12 ZINC000261540384 135179530 /nfs/dbraw/zinc/17/95/30/135179530.db2.gz ABGSWHXDBBNZJO-RAIGVLPGSA-N 2 1 235.306 1.390 10 0 BDAEMP CCc1cc(NC[C@@H]([NH3+])C(C)C)nc(C)[nH+]1 ZINC000084082152 135182864 /nfs/dbraw/zinc/18/28/64/135182864.db2.gz MJWAZGAQABGTIE-LLVKDONJSA-N 2 1 222.336 1.743 10 0 BDAEMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261557930 135199018 /nfs/dbraw/zinc/19/90/18/135199018.db2.gz CWDLRSRMHGQJNW-MRVPVSSYSA-N 2 1 248.330 1.244 10 0 BDAEMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261567439 135209290 /nfs/dbraw/zinc/20/92/90/135209290.db2.gz ZTPKYDDJBRBOQG-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261567439 135209291 /nfs/dbraw/zinc/20/92/91/135209291.db2.gz ZTPKYDDJBRBOQG-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC000262188889 135284575 /nfs/dbraw/zinc/28/45/75/135284575.db2.gz YBVVTEVNSVYZKM-CMPLNLGQSA-N 2 1 240.734 1.010 10 0 BDAEMP C[C@@H]1C[C@@H](O)C[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000401640206 533673222 /nfs/dbraw/zinc/67/32/22/533673222.db2.gz DVYVADPMXFUNEL-MGPQQGTHSA-N 2 1 240.391 1.564 10 0 BDAEMP C[C@@H]1C[C@@H](O)C[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000401640206 533673227 /nfs/dbraw/zinc/67/32/27/533673227.db2.gz DVYVADPMXFUNEL-MGPQQGTHSA-N 2 1 240.391 1.564 10 0 BDAEMP C[C@@H]1C[C@@H](O)C[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000401640206 533673235 /nfs/dbraw/zinc/67/32/35/533673235.db2.gz DVYVADPMXFUNEL-MGPQQGTHSA-N 2 1 240.391 1.564 10 0 BDAEMP CCc1cc(N[C@H]2CC[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000382508330 397954908 /nfs/dbraw/zinc/95/49/08/397954908.db2.gz NMCXTBDFUHOGBA-JQWIXIFHSA-N 2 1 234.347 1.887 10 0 BDAEMP C[C@H]1CC[N@@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000575592332 397990719 /nfs/dbraw/zinc/99/07/19/397990719.db2.gz SYUVIKQVJRGTGP-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@H]1CC[N@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000575592332 397990723 /nfs/dbraw/zinc/99/07/23/397990723.db2.gz SYUVIKQVJRGTGP-UWVGGRQHSA-N 2 1 200.351 1.305 10 0 BDAEMP CCC[N@H+]1CCOc2ccc(C[NH3+])cc2C1 ZINC000409423499 398085275 /nfs/dbraw/zinc/08/52/75/398085275.db2.gz SAEUXVSGOKPBSK-UHFFFAOYSA-N 2 1 220.316 1.750 10 0 BDAEMP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396644434 398112961 /nfs/dbraw/zinc/11/29/61/398112961.db2.gz BWGNRIDTRPQVHH-WOPDTQHZSA-N 2 1 222.336 1.002 10 0 BDAEMP CC(C)[NH2+]CCN1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000309648515 167104294 /nfs/dbraw/zinc/10/42/94/167104294.db2.gz WVQZCECUSKYITG-STQMWFEESA-N 2 1 225.380 1.010 10 0 BDAEMP C[NH+](C)CC(C)(C)NC[C@@H]1CCC[N@@H+]1C ZINC000308630817 409892584 /nfs/dbraw/zinc/89/25/84/409892584.db2.gz IFKYWYISUGYYOG-NSHDSACASA-N 2 1 213.369 1.010 10 0 BDAEMP C[NH+](C)CC(C)(C)NC[C@@H]1CCC[N@H+]1C ZINC000308630817 409892590 /nfs/dbraw/zinc/89/25/90/409892590.db2.gz IFKYWYISUGYYOG-NSHDSACASA-N 2 1 213.369 1.010 10 0 BDAEMP CCc1cc(NC[C@H]2C[N@H+](CC)CCO2)cc[nH+]1 ZINC000307765930 410662300 /nfs/dbraw/zinc/66/23/00/410662300.db2.gz BKCKYVYJRVHMTO-AWEZNQCLSA-N 2 1 249.358 1.777 10 0 BDAEMP CCc1cc(NC[C@H]2C[N@@H+](CC)CCO2)cc[nH+]1 ZINC000307765930 410662306 /nfs/dbraw/zinc/66/23/06/410662306.db2.gz BKCKYVYJRVHMTO-AWEZNQCLSA-N 2 1 249.358 1.777 10 0 BDAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000396697812 410897201 /nfs/dbraw/zinc/89/72/01/410897201.db2.gz KBRHXJGHVSNFOY-JOYOIKCWSA-N 2 1 208.349 1.905 10 0 BDAEMP CC(C)[NH2+]C[C@H](C)CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053249970 167113438 /nfs/dbraw/zinc/11/34/38/167113438.db2.gz YWUUDWDHGFYYIB-UONOGXRCSA-N 2 1 241.423 1.647 10 0 BDAEMP CC(C)[NH2+]C[C@H]1CCCN(c2[nH+]ccn2C)C1 ZINC000053701972 167115423 /nfs/dbraw/zinc/11/54/23/167115423.db2.gz ANSDWIZMSGTMPF-GFCCVEGCSA-N 2 1 236.363 1.635 10 0 BDAEMP CC(C)[NH2+][C@@H](CC[NH+]1CCCCCC1)C(N)=O ZINC000062441185 167132892 /nfs/dbraw/zinc/13/28/92/167132892.db2.gz BLZYGPXIZYCNOD-LBPRGKRZSA-N 2 1 241.379 1.104 10 0 BDAEMP C[C@@H]([NH3+])CNc1[nH+]c2ccc(F)cc2n1C ZINC000212503305 411147448 /nfs/dbraw/zinc/14/74/48/411147448.db2.gz XSNPZXVGGNZDSD-SSDOTTSWSA-N 2 1 222.267 1.472 10 0 BDAEMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000051890090 411286015 /nfs/dbraw/zinc/28/60/15/411286015.db2.gz XNTOFBBFFAAPSX-UPJWGTAASA-N 2 1 224.348 1.239 10 0 BDAEMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000051890090 411286018 /nfs/dbraw/zinc/28/60/18/411286018.db2.gz XNTOFBBFFAAPSX-UPJWGTAASA-N 2 1 224.348 1.239 10 0 BDAEMP CC1([NH2+][C@H]2CCOC[C@H]2[NH3+])CCCCC1 ZINC000091691218 168063607 /nfs/dbraw/zinc/06/36/07/168063607.db2.gz UGIKJLOXFBHPJV-MNOVXSKESA-N 2 1 212.337 1.415 10 0 BDAEMP CC[N@H+]1CC[C@@H](CN2CCC([NH2+]C)CC2)C1 ZINC000037484423 170006957 /nfs/dbraw/zinc/00/69/57/170006957.db2.gz NMGVBDHJXRYQCF-GFCCVEGCSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000336906991 170023022 /nfs/dbraw/zinc/02/30/22/170023022.db2.gz YKYGDMAGLMJXMK-RDBSUJKOSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000336906991 170023023 /nfs/dbraw/zinc/02/30/23/170023023.db2.gz YKYGDMAGLMJXMK-RDBSUJKOSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336906991 170023024 /nfs/dbraw/zinc/02/30/24/170023024.db2.gz YKYGDMAGLMJXMK-RDBSUJKOSA-N 2 1 237.391 1.297 10 0 BDAEMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000336906991 170023025 /nfs/dbraw/zinc/02/30/25/170023025.db2.gz YKYGDMAGLMJXMK-RDBSUJKOSA-N 2 1 237.391 1.297 10 0 BDAEMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336906991 170023026 /nfs/dbraw/zinc/02/30/26/170023026.db2.gz YKYGDMAGLMJXMK-RDBSUJKOSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@@H](O)C2)CCCC1 ZINC000051257027 170110976 /nfs/dbraw/zinc/11/09/76/170110976.db2.gz IVRBZCFGNGJDNT-CYBMUJFWSA-N 2 1 240.391 1.613 10 0 BDAEMP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CCCCCO)C1 ZINC000104421651 170140793 /nfs/dbraw/zinc/14/07/93/170140793.db2.gz SRNDDVQFKZQCJQ-KBPBESRZSA-N 2 1 242.407 1.859 10 0 BDAEMP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1CCCOCC1 ZINC000061934629 170151035 /nfs/dbraw/zinc/15/10/35/170151035.db2.gz CLUXPCCXNMIUCY-CHWSQXEVSA-N 2 1 226.364 1.487 10 0 BDAEMP CC[NH2+][C@@H]1CCOC[C@H]1n1cc[nH+]c1C ZINC000043993856 170152787 /nfs/dbraw/zinc/15/27/87/170152787.db2.gz XRBFWFZODTUCOE-GHMZBOCLSA-N 2 1 209.293 1.131 10 0 BDAEMP CC[NH2+][C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000050270333 170156051 /nfs/dbraw/zinc/15/60/51/170156051.db2.gz HBHOJXVWNYUOET-ZDUSSCGKSA-N 2 1 204.317 1.482 10 0 BDAEMP CC[NH2+][C@H]1CC[N@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711433 170166677 /nfs/dbraw/zinc/16/66/77/170166677.db2.gz KYHZMSQTLNOAJF-NEPJUHHUSA-N 2 1 226.364 1.628 10 0 BDAEMP CC[NH2+][C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000049713210 170167856 /nfs/dbraw/zinc/16/78/56/170167856.db2.gz DUHQFKYHYWRUCF-MJBXVCDLSA-N 2 1 239.407 1.401 10 0 BDAEMP CC[NH2+][C@H]1CCOC[C@H]1n1cc[nH+]c1C ZINC000043993858 170168824 /nfs/dbraw/zinc/16/88/24/170168824.db2.gz XRBFWFZODTUCOE-WDEREUQCSA-N 2 1 209.293 1.131 10 0 BDAEMP CCOC1CC[NH+](C(C)(C)C[NH3+])CC1 ZINC000040678825 170332259 /nfs/dbraw/zinc/33/22/59/170332259.db2.gz BLYBLBJOTYKUPB-UHFFFAOYSA-N 2 1 200.326 1.225 10 0 BDAEMP CCOCCC[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053344543 170380382 /nfs/dbraw/zinc/38/03/82/170380382.db2.gz NPTAIGVYGMQYPP-OKILXGFUSA-N 2 1 242.407 1.981 10 0 BDAEMP CCOCCC[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053344543 170380384 /nfs/dbraw/zinc/38/03/84/170380384.db2.gz NPTAIGVYGMQYPP-OKILXGFUSA-N 2 1 242.407 1.981 10 0 BDAEMP CCOCC[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000035358882 170390518 /nfs/dbraw/zinc/39/05/18/170390518.db2.gz PUCFXLNKXKOHOJ-UHFFFAOYSA-N 2 1 222.332 1.614 10 0 BDAEMP CCOCC[N@@H+](C)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000050088739 170391943 /nfs/dbraw/zinc/39/19/43/170391943.db2.gz SFYNLARFTKBALT-STQMWFEESA-N 2 1 228.380 1.862 10 0 BDAEMP CC[C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000049662090 171010992 /nfs/dbraw/zinc/01/09/92/171010992.db2.gz RXXLQWUMAIOERX-CHWSQXEVSA-N 2 1 225.380 1.012 10 0 BDAEMP CC[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037109497 171307803 /nfs/dbraw/zinc/30/78/03/171307803.db2.gz DYWZNIQXLUZJHV-FZMZJTMJSA-N 2 1 236.359 1.909 10 0 BDAEMP CC[C@H](C)N1CC[NH+](CCCC[C@@H](C)[NH3+])CC1 ZINC000055065161 171319561 /nfs/dbraw/zinc/31/95/61/171319561.db2.gz SCOHUFRNHAKTAM-KGLIPLIRSA-N 2 1 241.423 1.920 10 0 BDAEMP C[NH2+]C[C@@H](C)Nc1cc[nH+]cc1Br ZINC000663279676 412408224 /nfs/dbraw/zinc/40/82/24/412408224.db2.gz UQKVWIYFMVXBPR-SSDOTTSWSA-N 2 1 244.136 1.286 10 0 BDAEMP CCc1[nH+]ccn1Cc1occc1C[NH3+] ZINC000052592971 172028889 /nfs/dbraw/zinc/02/88/89/172028889.db2.gz HTKZVRFUQLCASP-UHFFFAOYSA-N 2 1 205.261 1.546 10 0 BDAEMP CCn1cc[nH+]c1N1CCC(C[NH2+]C)CC1 ZINC000053664140 172226830 /nfs/dbraw/zinc/22/68/30/172226830.db2.gz WAXZIMBXFSHVMY-UHFFFAOYSA-N 2 1 222.336 1.339 10 0 BDAEMP C[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000052048224 173004630 /nfs/dbraw/zinc/00/46/30/173004630.db2.gz SSRYFBGFCZVENV-GFCCVEGCSA-N 2 1 238.379 1.527 10 0 BDAEMP C[N@H+]1CCCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000060743602 173014152 /nfs/dbraw/zinc/01/41/52/173014152.db2.gz QNLCPMOUKVEHJL-STQMWFEESA-N 2 1 225.380 1.141 10 0 BDAEMP CN1CCC[N@H+](C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000060743602 173014153 /nfs/dbraw/zinc/01/41/53/173014153.db2.gz QNLCPMOUKVEHJL-STQMWFEESA-N 2 1 225.380 1.141 10 0 BDAEMP CN1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000060743602 173014155 /nfs/dbraw/zinc/01/41/55/173014155.db2.gz QNLCPMOUKVEHJL-STQMWFEESA-N 2 1 225.380 1.141 10 0 BDAEMP C[N@H+]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000044380550 173014639 /nfs/dbraw/zinc/01/46/39/173014639.db2.gz CUMJKFAJFMRXAN-UHFFFAOYSA-N 2 1 213.369 1.012 10 0 BDAEMP C[N@H+]1CCCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000020260672 173017809 /nfs/dbraw/zinc/01/78/09/173017809.db2.gz QFTKPPAUXJAFCN-QWHCGFSZSA-N 2 1 225.380 1.284 10 0 BDAEMP C[N@H+]1CCC[C@@H]1CCOc1cc(C[NH3+])ccn1 ZINC000040240416 173027699 /nfs/dbraw/zinc/02/76/99/173027699.db2.gz SQCPIAXXJBNDRD-GFCCVEGCSA-N 2 1 235.331 1.403 10 0 BDAEMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2N)C1 ZINC000044535371 173041430 /nfs/dbraw/zinc/04/14/30/173041430.db2.gz CYOCSWMFMBQXRZ-SNVBAGLBSA-N 2 1 220.320 1.418 10 0 BDAEMP CN1CCC[C@H]([N@@H+](C)Cc2ccccc2C[NH3+])C1 ZINC000053205792 173045287 /nfs/dbraw/zinc/04/52/87/173045287.db2.gz QVHKPNMJBKZZAB-HNNXBMFYSA-N 2 1 247.386 1.671 10 0 BDAEMP CN(Cc1ccccc1C[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000053205792 173045289 /nfs/dbraw/zinc/04/52/89/173045289.db2.gz QVHKPNMJBKZZAB-HNNXBMFYSA-N 2 1 247.386 1.671 10 0 BDAEMP CN(Cc1ccccc1C[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000053205792 173045291 /nfs/dbraw/zinc/04/52/91/173045291.db2.gz QVHKPNMJBKZZAB-HNNXBMFYSA-N 2 1 247.386 1.671 10 0 BDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037484566 173115170 /nfs/dbraw/zinc/11/51/70/173115170.db2.gz WFTUPLAJVRRIOH-LBPRGKRZSA-N 2 1 220.316 1.434 10 0 BDAEMP CN(Cc1ccsc1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990246 173136374 /nfs/dbraw/zinc/13/63/74/173136374.db2.gz IJIIJJLXXSDULZ-LBPRGKRZSA-N 2 1 239.388 1.213 10 0 BDAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+][C@@H]1CCSC1)C2 ZINC000038019060 173205962 /nfs/dbraw/zinc/20/59/62/173205962.db2.gz UCTXJCLAPQSZHE-HYWTVENDSA-N 2 1 240.416 1.954 10 0 BDAEMP C[NH2+]CC(C)(C)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000051253787 173336807 /nfs/dbraw/zinc/33/68/07/173336807.db2.gz UGJFMSOYHJSTTE-LLVKDONJSA-N 2 1 228.380 1.731 10 0 BDAEMP C[NH2+]CC(C)(C)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000051253787 173336808 /nfs/dbraw/zinc/33/68/08/173336808.db2.gz UGJFMSOYHJSTTE-LLVKDONJSA-N 2 1 228.380 1.731 10 0 BDAEMP C[NH2+]CC[C@H](C)[N@H+]1CCCSCC1 ZINC000052371050 173358157 /nfs/dbraw/zinc/35/81/57/173358157.db2.gz KUYZSONRUFZQGB-JTQLQIEISA-N 2 1 202.367 1.423 10 0 BDAEMP C[NH2+]Cc1cc(C[N@@H+](C)CCCOC)oc1C ZINC000062036030 173387325 /nfs/dbraw/zinc/38/73/25/173387325.db2.gz DZFKVHNGTOXJSO-UHFFFAOYSA-N 2 1 240.347 1.776 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@@H+](CCOC)C1CC1 ZINC000052542403 173390958 /nfs/dbraw/zinc/39/09/58/173390958.db2.gz JJDGZERLNOWMMR-UHFFFAOYSA-N 2 1 238.331 1.610 10 0 BDAEMP C[NH2+]Cc1ccoc1C[NH+]1CCSCC1 ZINC000052425529 173391086 /nfs/dbraw/zinc/39/10/86/173391086.db2.gz GXZMJELIJAVUOS-UHFFFAOYSA-N 2 1 226.345 1.548 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)C1CCOCC1 ZINC000052481147 173391716 /nfs/dbraw/zinc/39/17/16/173391716.db2.gz ZOKZEBVPRDEDMC-UHFFFAOYSA-N 2 1 238.331 1.610 10 0 BDAEMP C[NH2+]Cc1coc(C[N@H+]2CC[C@H](C)C2)c1 ZINC000052484535 173394020 /nfs/dbraw/zinc/39/40/20/173394020.db2.gz ATGQJOZAGVHXBF-JTQLQIEISA-N 2 1 208.305 1.841 10 0 BDAEMP C[NH2+]Cc1oc(C[NH+]2CCSCC2)cc1C ZINC000052443342 173399978 /nfs/dbraw/zinc/39/99/78/173399978.db2.gz AEYYAGIMZWCXJE-UHFFFAOYSA-N 2 1 240.372 1.856 10 0 BDAEMP COCC[N@H+](C[C@@H]1CCCC[NH2+]1)[C@H](C)C1CC1 ZINC000042689334 174297227 /nfs/dbraw/zinc/29/72/27/174297227.db2.gz YFTAXHZQNSNFLJ-OCCSQVGLSA-N 2 1 240.391 1.875 10 0 BDAEMP COCC[N@@H+](C[C@@H]1CCCC[NH2+]1)[C@H](C)C1CC1 ZINC000042689334 174297228 /nfs/dbraw/zinc/29/72/28/174297228.db2.gz YFTAXHZQNSNFLJ-OCCSQVGLSA-N 2 1 240.391 1.875 10 0 BDAEMP COCC[NH2+]CCCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000053499146 174331936 /nfs/dbraw/zinc/33/19/36/174331936.db2.gz SDDAPVXULRITRW-CHWSQXEVSA-N 2 1 244.379 1.112 10 0 BDAEMP COCC[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053498866 174332223 /nfs/dbraw/zinc/33/22/23/174332223.db2.gz RGPIGOQDOHEONQ-OKILXGFUSA-N 2 1 242.407 1.981 10 0 BDAEMP COCC[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020047928 174332261 /nfs/dbraw/zinc/33/22/61/174332261.db2.gz QLAJUIWPUUGMPE-LBPRGKRZSA-N 2 1 214.353 1.487 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1CC1(C[NH3+])CCOCC1 ZINC000052180710 176071586 /nfs/dbraw/zinc/07/15/86/176071586.db2.gz AYXJZSMGYRFNSL-GFCCVEGCSA-N 2 1 226.364 1.616 10 0 BDAEMP C[C@@H]1CCN(C[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000044564217 176172469 /nfs/dbraw/zinc/17/24/69/176172469.db2.gz GUNQDNZNWGKPPE-OLZOCXBDSA-N 2 1 225.380 1.155 10 0 BDAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CCC[NH2+]1 ZINC000061148135 176172984 /nfs/dbraw/zinc/17/29/84/176172984.db2.gz HIPDKSQRJLGBOO-NEPJUHHUSA-N 2 1 212.337 1.097 10 0 BDAEMP C[C@@H]1C[N@H+](C2CCC([NH3+])CC2)CC(C)(C)O1 ZINC000055144667 176281873 /nfs/dbraw/zinc/28/18/73/176281873.db2.gz RQIGOGRBGJYPHA-VOMCLLRMSA-N 2 1 226.364 1.756 10 0 BDAEMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)CCCO1 ZINC000061918970 176302520 /nfs/dbraw/zinc/30/25/20/176302520.db2.gz OGVGMAMGBUXIAV-LLVKDONJSA-N 2 1 247.342 1.581 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@]2(CN)CCCSC2)CCCO1 ZINC000061915876 176317942 /nfs/dbraw/zinc/31/79/42/176317942.db2.gz YZJZPZXMQMNGDC-NEPJUHHUSA-N 2 1 244.404 1.322 10 0 BDAEMP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCCSC2)CCCO1 ZINC000061915876 176317944 /nfs/dbraw/zinc/31/79/44/176317944.db2.gz YZJZPZXMQMNGDC-NEPJUHHUSA-N 2 1 244.404 1.322 10 0 BDAEMP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCCSC2)CCCO1 ZINC000061915876 176317945 /nfs/dbraw/zinc/31/79/45/176317945.db2.gz YZJZPZXMQMNGDC-NEPJUHHUSA-N 2 1 244.404 1.322 10 0 BDAEMP C[C@H]([NH3+])[C@H]([NH+]1CCSCC1)C(C)(C)C ZINC000043291931 176770276 /nfs/dbraw/zinc/77/02/76/176770276.db2.gz LQTSIOVIYHHEFU-UWVGGRQHSA-N 2 1 216.394 1.797 10 0 BDAEMP C[C@H]1C[NH+](CC2(C[NH3+])CCCC2)C[C@H](C)O1 ZINC000051209688 177244736 /nfs/dbraw/zinc/24/47/36/177244736.db2.gz GRTNXBMYPJZGEI-RYUDHWBXSA-N 2 1 226.364 1.615 10 0 BDAEMP C[C@H]1C[N@@H+](CCCC[NH2+]C(C)(C)C)CCN1C ZINC000104136177 177248062 /nfs/dbraw/zinc/24/80/62/177248062.db2.gz KXLGGASCIDXVED-ZDUSSCGKSA-N 2 1 241.423 1.791 10 0 BDAEMP C[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1[NH3+] ZINC000300048588 177248928 /nfs/dbraw/zinc/24/89/28/177248928.db2.gz LLXFFZCTDNISAI-DTWKUNHWSA-N 2 1 240.269 1.234 10 0 BDAEMP C[C@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1[NH3+] ZINC000300048588 177248929 /nfs/dbraw/zinc/24/89/29/177248929.db2.gz LLXFFZCTDNISAI-DTWKUNHWSA-N 2 1 240.269 1.234 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@H+](C2CCN(C)CC2)C1 ZINC000049665944 177281487 /nfs/dbraw/zinc/28/14/87/177281487.db2.gz LMCRSDOOHNYSID-LBPRGKRZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000049665944 177281486 /nfs/dbraw/zinc/28/14/86/177281486.db2.gz LMCRSDOOHNYSID-LBPRGKRZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H]1C[NH2+]CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000044510703 177281781 /nfs/dbraw/zinc/28/17/81/177281781.db2.gz JGHTZZBLORDYRR-STQMWFEESA-N 2 1 226.364 1.487 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000049666496 177285911 /nfs/dbraw/zinc/28/59/11/177285911.db2.gz PLRWBAXDEAATJT-HZSPNIEDSA-N 2 1 239.407 1.116 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C[C@@H]2CC[NH+](C)C2)C1 ZINC000049666496 177285913 /nfs/dbraw/zinc/28/59/13/177285913.db2.gz PLRWBAXDEAATJT-HZSPNIEDSA-N 3 1 239.407 1.116 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C[C@@H]2CC[NH+](C)C2)C1 ZINC000049666496 177285914 /nfs/dbraw/zinc/28/59/14/177285914.db2.gz PLRWBAXDEAATJT-HZSPNIEDSA-N 3 1 239.407 1.116 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[NH+](C[C@@H]2CC[N@H+](C)C2)C1 ZINC000049666496 177285915 /nfs/dbraw/zinc/28/59/15/177285915.db2.gz PLRWBAXDEAATJT-HZSPNIEDSA-N 3 1 239.407 1.116 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@H](C)C[NH+](C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000049666496 177285917 /nfs/dbraw/zinc/28/59/17/177285917.db2.gz PLRWBAXDEAATJT-HZSPNIEDSA-N 3 1 239.407 1.116 10 0 BDAEMP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC[N@@H+]1C ZINC000309145449 177368257 /nfs/dbraw/zinc/36/82/57/177368257.db2.gz VCFSNICJBHDXQK-DTWKUNHWSA-N 2 1 218.291 1.856 10 0 BDAEMP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC[N@H+]1C ZINC000309145449 177368259 /nfs/dbraw/zinc/36/82/59/177368259.db2.gz VCFSNICJBHDXQK-DTWKUNHWSA-N 2 1 218.291 1.856 10 0 BDAEMP Cc1c(C[NH2+]C[C@@H](C)C[NH+](C)C)cnn1C ZINC000291799952 177591771 /nfs/dbraw/zinc/59/17/71/177591771.db2.gz XDBOCNTWAIRDBN-SNVBAGLBSA-N 2 1 224.352 1.016 10 0 BDAEMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000400334370 226340994 /nfs/dbraw/zinc/34/09/94/226340994.db2.gz GYHMJWYROYAQAT-RDBSUJKOSA-N 3 1 239.407 1.306 10 0 BDAEMP C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000400578350 226346626 /nfs/dbraw/zinc/34/66/26/226346626.db2.gz PRVYCXAZVJTPIO-GRYCIOLGSA-N 3 1 225.380 1.057 10 0 BDAEMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000400578350 226346627 /nfs/dbraw/zinc/34/66/27/226346627.db2.gz PRVYCXAZVJTPIO-GRYCIOLGSA-N 3 1 225.380 1.057 10 0 BDAEMP Cc1cc(N[C@H](C[NH3+])CC(C)C)nc(C)[nH+]1 ZINC000082592998 487686243 /nfs/dbraw/zinc/68/62/43/487686243.db2.gz QYOSCTKRXVIHHR-NSHDSACASA-N 2 1 222.336 1.879 10 0 BDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H]1CC[NH2+]C1 ZINC000252584302 487826997 /nfs/dbraw/zinc/82/69/97/487826997.db2.gz ZWDCSFBMVIIMOO-QWHCGFSZSA-N 2 1 225.380 1.012 10 0 BDAEMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000570515673 323061434 /nfs/dbraw/zinc/06/14/34/323061434.db2.gz NROIECFBRJLLSK-YNEHKIRRSA-N 2 1 226.364 1.079 10 0 BDAEMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669540 323177225 /nfs/dbraw/zinc/17/72/25/323177225.db2.gz VUZYGIJQSVIYCB-MJBXVCDLSA-N 2 1 239.407 1.306 10 0 BDAEMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669540 323177226 /nfs/dbraw/zinc/17/72/26/323177226.db2.gz VUZYGIJQSVIYCB-MJBXVCDLSA-N 3 1 239.407 1.306 10 0 BDAEMP c1ccc2c(c1)C[C@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000086728147 487540341 /nfs/dbraw/zinc/54/03/41/487540341.db2.gz HFGGTLSTOMOIPJ-NWDGAFQWSA-N 2 1 202.301 1.278 10 0 BDAEMP CCO[C@@H]1C[N@H+]([C@H](C)C(C)C)C[C@H]1C[NH3+] ZINC000405320208 487481041 /nfs/dbraw/zinc/48/10/41/487481041.db2.gz YTVCFNLAIMOLGN-IJLUTSLNSA-N 2 1 214.353 1.327 10 0 BDAEMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667843036 488136914 /nfs/dbraw/zinc/13/69/14/488136914.db2.gz WPRZYHRGDLGTSQ-KWCYVHTRSA-N 2 1 238.375 1.221 10 0 BDAEMP c1ccc2c(c1)ccnc2C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398360983 488217605 /nfs/dbraw/zinc/21/76/05/488217605.db2.gz JJLKWSAFEKWAOH-LBPRGKRZSA-N 2 1 241.338 1.934 10 0 BDAEMP CCC1(CC)C[NH2+]C2(CC[NH2+]CC2)OC1 ZINC000757148410 582532724 /nfs/dbraw/zinc/53/27/24/582532724.db2.gz NGVSNPLRTCPEND-UHFFFAOYSA-N 2 1 212.337 1.492 10 0 BDAEMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000167994698 536345633 /nfs/dbraw/zinc/34/56/33/536345633.db2.gz HXKMPLSNZGRFNO-YPMHNXCESA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCOC(C)(C)C1 ZINC000685951949 566487118 /nfs/dbraw/zinc/48/71/18/566487118.db2.gz ZXFLTHNXQNLCFK-GHMZBOCLSA-N 2 1 226.364 1.341 10 0 BDAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCOC(C)(C)C1 ZINC000685951949 566487122 /nfs/dbraw/zinc/48/71/22/566487122.db2.gz ZXFLTHNXQNLCFK-GHMZBOCLSA-N 2 1 226.364 1.341 10 0 BDAEMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000396908636 583093439 /nfs/dbraw/zinc/09/34/39/583093439.db2.gz HSDUYCABSJKPPH-NXEZZACHSA-N 2 1 230.233 1.720 10 0 BDAEMP C[C@H]1CC[C@]2(CCC[N@@H+]2CCCF)C[NH2+]1 ZINC000757125381 582500080 /nfs/dbraw/zinc/50/00/80/582500080.db2.gz DJZNJGVPDDQOAZ-NWDGAFQWSA-N 2 1 214.328 1.953 10 0 BDAEMP C[C@H]1CC[C@]2(CCC[N@H+]2CCCF)C[NH2+]1 ZINC000757125381 582500081 /nfs/dbraw/zinc/50/00/81/582500081.db2.gz DJZNJGVPDDQOAZ-NWDGAFQWSA-N 2 1 214.328 1.953 10 0 BDAEMP CCOCCC[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757135087 582513493 /nfs/dbraw/zinc/51/34/93/582513493.db2.gz YIANCFIOXGPVIC-KGLIPLIRSA-N 2 1 240.391 1.877 10 0 BDAEMP COCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757135078 582513889 /nfs/dbraw/zinc/51/38/89/582513889.db2.gz YHBSAJRLOCZWMT-RYUDHWBXSA-N 2 1 212.337 1.097 10 0 BDAEMP COCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757135078 582513891 /nfs/dbraw/zinc/51/38/91/582513891.db2.gz YHBSAJRLOCZWMT-RYUDHWBXSA-N 2 1 212.337 1.097 10 0 BDAEMP CC(=O)c1ccc([C@@H]2C[NH2+]C[C@@H]([NH3+])C2)cc1 ZINC000757218670 582563450 /nfs/dbraw/zinc/56/34/50/582563450.db2.gz WQBXLJYRTOKOBA-STQMWFEESA-N 2 1 218.300 1.293 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1C1CCN(CC[NH3+])CC1 ZINC000257773739 582683055 /nfs/dbraw/zinc/68/30/55/582683055.db2.gz RYSGNUOKTYSMND-GFCCVEGCSA-N 2 1 225.380 1.284 10 0 BDAEMP CC1(C)CCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000398971782 583168771 /nfs/dbraw/zinc/16/87/71/583168771.db2.gz WQXZYRTXBCITKC-CYBMUJFWSA-N 2 1 240.391 1.611 10 0 BDAEMP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399262399 583172597 /nfs/dbraw/zinc/17/25/97/583172597.db2.gz QKRXYFAJZXSPFR-TZMCWYRMSA-N 2 1 240.391 1.611 10 0 BDAEMP CC(=O)c1ccc([C@H]2[NH2+]CCC[C@@H]2N)cc1 ZINC000757211016 586437417 /nfs/dbraw/zinc/43/74/17/586437417.db2.gz FFSUSPLQSQMTOG-QWHCGFSZSA-N 2 1 218.300 1.641 10 0 BDAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1cccc(N)c1 ZINC000757208647 586437935 /nfs/dbraw/zinc/43/79/35/586437935.db2.gz AKIQZIONGWSEJP-ZHAHWJHGSA-N 2 1 205.305 1.267 10 0 BDAEMP [NH3+]C[C@H]1CC[C@@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757212638 586439424 /nfs/dbraw/zinc/43/94/24/586439424.db2.gz JOEYGJKCFQYAMG-VXGBXAGGSA-N 2 1 229.327 1.962 10 0 BDAEMP C[C@@H]1C[C@H](c2cccc(C[NH3+])c2)[NH2+]C[C@@H]1[NH3+] ZINC000757212878 586439630 /nfs/dbraw/zinc/43/96/30/586439630.db2.gz KBIVQXCNRHYYNX-JIMOISOXSA-N 3 1 219.332 1.143 10 0 BDAEMP CC(=O)c1ccc([C@@H]2CC[C@H](C[NH3+])[NH2+]C2)cc1 ZINC000757215405 586440897 /nfs/dbraw/zinc/44/08/97/586440897.db2.gz NJSNLLNRFBCQGS-ZIAGYGMSSA-N 2 1 232.327 1.684 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1ccc(C[NH3+])cc1 ZINC000757217287 586441740 /nfs/dbraw/zinc/44/17/40/586441740.db2.gz RUXMKWVVDLFNNQ-OASPWFOLSA-N 3 1 219.332 1.143 10 0 BDAEMP Cc1ccc(N)cc1[C@H]1CC[NH2+][C@H](C[NH3+])C1 ZINC000757239497 586444458 /nfs/dbraw/zinc/44/44/58/586444458.db2.gz UKMJQEHCVUGBCN-JQWIXIFHSA-N 2 1 219.332 1.372 10 0 BDAEMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000129161313 591266767 /nfs/dbraw/zinc/26/67/67/591266767.db2.gz CWAMDSHSKZRHIR-ZIAGYGMSSA-N 2 1 239.407 1.593 10 0 BDAEMP Cc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000227646308 635454068 /nfs/dbraw/zinc/45/40/68/635454068.db2.gz RORLNFYQIPLDQS-MNOVXSKESA-N 2 1 220.320 1.633 10 0 BDAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CCCO1 ZINC000251524706 635704402 /nfs/dbraw/zinc/70/44/02/635704402.db2.gz XDAYPQQILBHGQY-PSEXLTFBSA-N 2 1 224.348 1.510 10 0 BDAEMP CC[N@H+]1CCC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000040503546 633817149 /nfs/dbraw/zinc/81/71/49/633817149.db2.gz NJEVRKFDAFLMTC-LBPRGKRZSA-N 2 1 241.379 1.106 10 0 BDAEMP c1ccc([C@H]2C[C@H]2[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000044660147 640446652 /nfs/dbraw/zinc/44/66/52/640446652.db2.gz MIUMWYYHESCTFO-ZIAGYGMSSA-N 2 1 216.328 1.838 10 0 BDAEMP c1ccc([C@H]2C[C@H]2[N@H+]2CCC[NH2+]CC2)cc1 ZINC000044660147 640446655 /nfs/dbraw/zinc/44/66/55/640446655.db2.gz MIUMWYYHESCTFO-ZIAGYGMSSA-N 2 1 216.328 1.838 10 0 BDAEMP C[N@H+](C/C=C/Cl)[C@@H]1CCC[NH2+]CC1 ZINC000226467784 640767683 /nfs/dbraw/zinc/76/76/83/640767683.db2.gz BMVWICPTLJBTKP-QLCVYAKKSA-N 2 1 202.729 1.813 10 0 BDAEMP C[N@@H+](C/C=C/Cl)[C@@H]1CCC[NH2+]CC1 ZINC000226467784 640767690 /nfs/dbraw/zinc/76/76/90/640767690.db2.gz BMVWICPTLJBTKP-QLCVYAKKSA-N 2 1 202.729 1.813 10 0 BDAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)CC1(O)CCCCC1 ZINC000087458314 640892634 /nfs/dbraw/zinc/89/26/34/640892634.db2.gz WTRRZTRMMQFIFA-ZDUSSCGKSA-N 2 1 240.391 1.565 10 0 BDAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)CC1(O)CCCCC1 ZINC000087458314 640892629 /nfs/dbraw/zinc/89/26/29/640892629.db2.gz WTRRZTRMMQFIFA-ZDUSSCGKSA-N 2 1 240.391 1.565 10 0 BDAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)CC1(O)CCCCC1 ZINC000087458314 640892632 /nfs/dbraw/zinc/89/26/32/640892632.db2.gz WTRRZTRMMQFIFA-ZDUSSCGKSA-N 2 1 240.391 1.565 10 0 BDAEMP CN(C)[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000071137240 643101116 /nfs/dbraw/zinc/10/11/16/643101116.db2.gz BVXSEBPYRYFFMM-ZDUSSCGKSA-N 2 1 227.396 1.532 10 0 BDAEMP C[NH+](C)[C@H]1CCN(CCCCCCC[NH3+])C1 ZINC000071137240 643101120 /nfs/dbraw/zinc/10/11/20/643101120.db2.gz BVXSEBPYRYFFMM-ZDUSSCGKSA-N 2 1 227.396 1.532 10 0 BDAEMP C[C@@H]1[NH2+][C@H](c2cccc(N)c2)CC[C@H]1[NH3+] ZINC000757211070 643371919 /nfs/dbraw/zinc/37/19/19/643371919.db2.gz FTRVCMCNEZFCAU-AXTRIDKLSA-N 2 1 205.305 1.409 10 0 BDAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052378889 644536900 /nfs/dbraw/zinc/53/69/00/644536900.db2.gz IHSGAKZCVGNGIN-UTUOFQBUSA-N 2 1 212.337 1.367 10 0 BDAEMP CC[N@H+]1CCC[C@H]1CN(C)c1cc[nH+]c(CO)c1 ZINC000092633821 644663545 /nfs/dbraw/zinc/66/35/45/644663545.db2.gz IXMCMDAVKBCPOI-AWEZNQCLSA-N 2 1 249.358 1.494 10 0 BDAEMP C=C/C=C\CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000713735411 712470731 /nfs/dbraw/zinc/47/07/31/712470731.db2.gz NYZJAHMDNJTXCX-JRNXBESPSA-N 2 1 206.333 1.788 10 0 BDAEMP CC1(C)CO[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000717168153 712638545 /nfs/dbraw/zinc/63/85/45/712638545.db2.gz JHIRCGRENMAIAQ-MNOVXSKESA-N 2 1 212.337 1.143 10 0 BDAEMP C[C@]12C[NH2+]C[C@H]1CN(c1[nH+]cnc3[nH]ccc31)C2 ZINC000705192775 712126510 /nfs/dbraw/zinc/12/65/10/712126510.db2.gz WFIMHLIPXDJYIA-TVQRCGJNSA-N 2 1 243.314 1.004 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713174518 712453132 /nfs/dbraw/zinc/45/31/32/712453132.db2.gz KJJRCDUGYQZZIK-LBPRGKRZSA-N 2 1 224.348 1.383 10 0 BDAEMP C([C@@H]1CCCO1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715014258 712503868 /nfs/dbraw/zinc/50/38/68/712503868.db2.gz UOHZXENCGOEMBW-RWMBFGLXSA-N 2 1 224.348 1.239 10 0 BDAEMP C(C[C@@H]1CCCS1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000715731942 712531093 /nfs/dbraw/zinc/53/10/93/712531093.db2.gz LUJLBJABEHVILV-ZJUUUORDSA-N 2 1 200.351 1.224 10 0 BDAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955186 538900898 /nfs/dbraw/zinc/90/08/98/538900898.db2.gz VRJQPRHZDHCKMB-WHOHXGKFSA-N 2 1 212.337 1.366 10 0 BDAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1C1CC1 ZINC000685965622 538912263 /nfs/dbraw/zinc/91/22/63/538912263.db2.gz LQKPQHUTAAIGON-UONOGXRCSA-N 2 1 216.328 1.968 10 0 BDAEMP COc1cc([C@H]2C[NH2+]C[C@]2(C)[NH3+])ccc1C ZINC000685965767 538912544 /nfs/dbraw/zinc/91/25/44/538912544.db2.gz RWCHAXDFIHVMBG-YPMHNXCESA-N 2 1 220.316 1.408 10 0 BDAEMP Cc1cc(C[NH+]2CCSCC2)oc1C[NH3+] ZINC000052425634 177998128 /nfs/dbraw/zinc/99/81/28/177998128.db2.gz PQPNMPLBYKQBFM-UHFFFAOYSA-N 2 1 226.345 1.596 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000306789002 398200978 /nfs/dbraw/zinc/20/09/78/398200978.db2.gz SQYZLRCNIGQINB-AATLWQCWSA-N 2 1 202.367 1.548 10 0 BDAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000306789002 398200981 /nfs/dbraw/zinc/20/09/81/398200981.db2.gz SQYZLRCNIGQINB-AATLWQCWSA-N 2 1 202.367 1.548 10 0 BDAEMP CC[N@H+]1CC[C@H]([NH3+])C12CCSCC2 ZINC000606275701 538930020 /nfs/dbraw/zinc/93/00/20/538930020.db2.gz IZBRBJOWBKCSRV-VIFPVBQESA-N 2 1 200.351 1.305 10 0 BDAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@H+]1C ZINC000164017556 538931520 /nfs/dbraw/zinc/93/15/20/538931520.db2.gz CVOBEPYWGUCVMW-WOPDTQHZSA-N 2 1 228.380 1.466 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCSC2)C1 ZINC000070798623 361758715 /nfs/dbraw/zinc/75/87/15/361758715.db2.gz UTNWOJGRNGUCHA-NXEZZACHSA-N 2 1 200.351 1.033 10 0 BDAEMP CCC(CC)[N@@H+](CCO)C[C@@H]1CCC[C@@H]1[NH2+]C ZINC000053877022 168373375 /nfs/dbraw/zinc/37/33/75/168373375.db2.gz JGRMSXBVLCDJCO-JSGCOSHPSA-N 2 1 242.407 1.857 10 0 BDAEMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000390775113 539027386 /nfs/dbraw/zinc/02/73/86/539027386.db2.gz 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/nfs/dbraw/zinc/11/84/05/345118405.db2.gz GOBPLNCMYZWZTJ-UPJWGTAASA-N 2 1 242.407 1.713 10 0 BDAEMP COc1cc(C)nc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999010 345198980 /nfs/dbraw/zinc/19/89/80/345198980.db2.gz OOKBIERIPDMKPH-JQWIXIFHSA-N 2 1 249.358 1.425 10 0 BDAEMP COc1cc(C)nc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999010 345198983 /nfs/dbraw/zinc/19/89/83/345198983.db2.gz OOKBIERIPDMKPH-JQWIXIFHSA-N 2 1 249.358 1.425 10 0 BDAEMP CCCn1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634999077 345199198 /nfs/dbraw/zinc/19/91/98/345199198.db2.gz PQGBIPCBXFHUTA-YPMHNXCESA-N 2 1 236.363 1.320 10 0 BDAEMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C[NH3+] ZINC000227728870 345354905 /nfs/dbraw/zinc/35/49/05/345354905.db2.gz RHRZYVGYHZTHSN-NXEZZACHSA-N 2 1 245.367 1.227 10 0 BDAEMP COCC[NH2+][C@H](C[NH+]1CCCC1)C(C)C ZINC000167895148 345804670 /nfs/dbraw/zinc/80/46/70/345804670.db2.gz LFXJFKLTDTYTCP-GFCCVEGCSA-N 2 1 214.353 1.343 10 0 BDAEMP Cc1cccc(C[NH+]2CCC[NH2+]CCC2)n1 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BDAEMP C[C@@H]1CC[N@H+](C2CSC2)C[C@@H]1C[NH3+] ZINC000307552754 353083750 /nfs/dbraw/zinc/08/37/50/353083750.db2.gz CVLRKPDVOFCODL-BDAKNGLRSA-N 2 1 200.351 1.019 10 0 BDAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223110007 353136614 /nfs/dbraw/zinc/13/66/14/353136614.db2.gz SUEVMBMZZZPHAP-CHWSQXEVSA-N 2 1 204.317 1.998 10 0 BDAEMP C[C@@H]1CC[NH2+]CC[N@H+]1[C@H]1CCSC1 ZINC000405275666 353155880 /nfs/dbraw/zinc/15/58/80/353155880.db2.gz WXYKHRXOVSZBRX-ZJUUUORDSA-N 2 1 200.351 1.176 10 0 BDAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]([C@H]2CCSC2)C1 ZINC000252214120 363220134 /nfs/dbraw/zinc/22/01/34/363220134.db2.gz YUSCOBXIBFGZEY-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CSC[C@@H]1[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405789702 355276306 /nfs/dbraw/zinc/27/63/06/355276306.db2.gz KKBYYWGYPFMWGA-UTLUCORTSA-N 2 1 200.351 1.161 10 0 BDAEMP C[N@@H+](C[C@H](O)c1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000675059036 538483732 /nfs/dbraw/zinc/48/37/32/538483732.db2.gz HTGDJQAMSFMKCW-HNNXBMFYSA-N 2 1 246.354 1.460 10 0 BDAEMP Cc1cc(F)ccc1[C@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000675056179 538477615 /nfs/dbraw/zinc/47/76/15/538477615.db2.gz LDLKJEYHKLFKTK-NEPJUHHUSA-N 2 1 208.280 1.538 10 0 BDAEMP CC1(CC2=C[C@@H]([NH3+])C[NH2+]C2)CCOCC1 ZINC000675078449 538515739 /nfs/dbraw/zinc/51/57/39/538515739.db2.gz PUFHUBWDOKIDGI-LLVKDONJSA-N 2 1 210.321 1.050 10 0 BDAEMP [NH3+][C@H]1C=C(CCc2ccsc2)C[NH2+]C1 ZINC000675078728 538515874 /nfs/dbraw/zinc/51/58/74/538515874.db2.gz RTLCHZSKCPRGJG-NSHDSACASA-N 2 1 208.330 1.538 10 0 BDAEMP COc1ccc(C2=C[C@H](N)C[NH2+]C2)s1 ZINC000675079389 538517963 /nfs/dbraw/zinc/51/79/63/538517963.db2.gz YFRYUBDZPHEIRE-QMMMGPOBSA-N 2 1 210.302 1.071 10 0 BDAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087048166 538562882 /nfs/dbraw/zinc/56/28/82/538562882.db2.gz VHMWAHPCDJFPQT-XQHKEYJVSA-N 2 1 226.364 1.756 10 0 BDAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000257582184 538738047 /nfs/dbraw/zinc/73/80/47/538738047.db2.gz 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CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222962426 358216597 /nfs/dbraw/zinc/21/65/97/358216597.db2.gz PSQJLECAXLHYHP-HZSPNIEDSA-N 2 1 241.423 1.822 10 0 BDAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)[C@@H]1CCCOC1 ZINC000396619468 358449392 /nfs/dbraw/zinc/44/93/92/358449392.db2.gz UNJZOMMYXQIHRC-WUHRBBMRSA-N 2 1 226.364 1.532 10 0 BDAEMP CC[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000054109749 358852889 /nfs/dbraw/zinc/85/28/89/358852889.db2.gz UPTAGGAPOQUXBQ-YHWZYXNKSA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000054109749 358852894 /nfs/dbraw/zinc/85/28/94/358852894.db2.gz UPTAGGAPOQUXBQ-YHWZYXNKSA-N 2 1 225.380 1.153 10 0 BDAEMP CC[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000054109749 358852897 /nfs/dbraw/zinc/85/28/97/358852897.db2.gz UPTAGGAPOQUXBQ-YHWZYXNKSA-N 2 1 225.380 1.153 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@@H+]1CCC[C@H]1C[NH3+] ZINC000300351476 358970371 /nfs/dbraw/zinc/97/03/71/358970371.db2.gz ANSQGVABADWSBS-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1SCC[C@H]1[N@H+]1CCC[C@H]1C[NH3+] ZINC000300351476 358970373 /nfs/dbraw/zinc/97/03/73/358970373.db2.gz ANSQGVABADWSBS-LPEHRKFASA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@H]1CSC[C@@]1(C[NH3+])[NH+]1CCCC1 ZINC000306200515 359028272 /nfs/dbraw/zinc/02/82/72/359028272.db2.gz LRNXVIFXCUMUOP-VHSXEESVSA-N 2 1 200.351 1.163 10 0 BDAEMP C[C@@H]1CSC[C@@]1(C[NH3+])[NH+]1CCCC1 ZINC000306200513 359028435 /nfs/dbraw/zinc/02/84/35/359028435.db2.gz LRNXVIFXCUMUOP-NXEZZACHSA-N 2 1 200.351 1.163 10 0 BDAEMP CS[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](C[NH3+])C1 ZINC000300393116 358987780 /nfs/dbraw/zinc/98/77/80/358987780.db2.gz WGHFUQMXIFQCRP-OUAUKWLOSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@H]([NH3+])[C@H]1C[N@H+](CC(C)(C)C)CCO1 ZINC000169122414 359313670 /nfs/dbraw/zinc/31/36/70/359313670.db2.gz ZIWHWABIUMUCOQ-VHSXEESVSA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC(C)(C)C)CCO1 ZINC000169122414 359313672 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360449793 /nfs/dbraw/zinc/44/97/93/360449793.db2.gz USTVSTIKRULAHM-ZJUUUORDSA-N 2 1 200.351 1.381 10 0 BDAEMP CC1CC([NH2+]C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000309512988 491150643 /nfs/dbraw/zinc/15/06/43/491150643.db2.gz XWLMPCDTOTZRNC-CXQJBGSLSA-N 2 1 219.332 1.834 10 0 BDAEMP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069908617 361015288 /nfs/dbraw/zinc/01/52/88/361015288.db2.gz ZOTHJAVNFDNSKK-AOOOYVTPSA-N 2 1 214.378 1.564 10 0 BDAEMP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309743411 491155740 /nfs/dbraw/zinc/15/57/40/491155740.db2.gz DWIJOMBDULYTDL-GFCCVEGCSA-N 2 1 226.364 1.221 10 0 BDAEMP C[C@@H]1[C@@H](O)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000448549110 201215166 /nfs/dbraw/zinc/21/51/66/201215166.db2.gz XABXSVSPFBUMQA-UPJWGTAASA-N 2 1 226.364 1.316 10 0 BDAEMP C[C@@H]1[C@@H](O)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000448549110 201215169 /nfs/dbraw/zinc/21/51/69/201215169.db2.gz XABXSVSPFBUMQA-UPJWGTAASA-N 2 1 226.364 1.316 10 0 BDAEMP C[C@@H]1[C@@H](O)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000448549110 201215173 /nfs/dbraw/zinc/21/51/73/201215173.db2.gz XABXSVSPFBUMQA-UPJWGTAASA-N 2 1 226.364 1.316 10 0 BDAEMP CO[C@H]1C[N@@H+](CC2CC(C)(C)C2)[C@](C)(C[NH3+])C1 ZINC000630366296 364086832 /nfs/dbraw/zinc/08/68/32/364086832.db2.gz KALHALIMQXGIER-OCCSQVGLSA-N 2 1 240.391 1.861 10 0 BDAEMP CCc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)nc(C)[nH+]1 ZINC000630532339 364221952 /nfs/dbraw/zinc/22/19/52/364221952.db2.gz HXLWSIPHPVBEKC-JOYOIKCWSA-N 2 1 234.347 1.900 10 0 BDAEMP [NH3+]CC1(C[N@H+]2CCC[C@H](CO)C2)CCCC1 ZINC000051206178 181358537 /nfs/dbraw/zinc/35/85/37/181358537.db2.gz BXHXLTLDZRDUAB-LBPRGKRZSA-N 2 1 226.364 1.210 10 0 BDAEMP [NH3+]CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000037712823 181396856 /nfs/dbraw/zinc/39/68/56/181396856.db2.gz URHWXQPVGNVCHR-UHFFFAOYSA-N 2 1 208.280 1.620 10 0 BDAEMP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000581005729 367231094 /nfs/dbraw/zinc/23/10/94/367231094.db2.gz DWBFIUFFKWRDOI-AVGNSLFASA-N 2 1 239.407 1.447 10 0 BDAEMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000581005729 367231098 /nfs/dbraw/zinc/23/10/98/367231098.db2.gz DWBFIUFFKWRDOI-AVGNSLFASA-N 2 1 239.407 1.447 10 0 BDAEMP CCc1nc(N[C@H]2CC[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000382518483 367532144 /nfs/dbraw/zinc/53/21/44/367532144.db2.gz SGWJWOORXNHFQF-MNOVXSKESA-N 2 1 234.347 1.309 10 0 BDAEMP C[C@H](C[N@H+]1CCSC[C@H]1C)[C@H](C)[NH3+] ZINC000252858749 368163542 /nfs/dbraw/zinc/16/35/42/368163542.db2.gz MCGVFZNMQLJIIE-BBBLOLIVSA-N 2 1 202.367 1.407 10 0 BDAEMP C[C@@H]1C[N@H+]([C@H]2CC[C@@H]2C[NH3+])CCS1 ZINC000252982955 368178174 /nfs/dbraw/zinc/17/81/74/368178174.db2.gz YPJSJJBXXBTJEN-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838221 369120231 /nfs/dbraw/zinc/12/02/31/369120231.db2.gz KRGHAQDZBMARHX-VWYCJHECSA-N 2 1 220.320 1.064 10 0 BDAEMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838221 369120232 /nfs/dbraw/zinc/12/02/32/369120232.db2.gz KRGHAQDZBMARHX-VWYCJHECSA-N 2 1 220.320 1.064 10 0 BDAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000621775227 370522627 /nfs/dbraw/zinc/52/26/27/370522627.db2.gz IZJQEYCUWBYNPA-BFHYXJOUSA-N 2 1 231.343 1.559 10 0 BDAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCS2)C1 ZINC000226954912 371758761 /nfs/dbraw/zinc/75/87/61/371758761.db2.gz ALIYTBPOPSNXEQ-UWVGGRQHSA-N 2 1 200.351 1.163 10 0 BDAEMP CO[C@]1(C)CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000230270897 371883110 /nfs/dbraw/zinc/88/31/10/371883110.db2.gz DFFSWTFVAMZSRZ-LLVKDONJSA-N 2 1 200.326 1.225 10 0 BDAEMP COC[C@H](C)[C@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000163447153 371995306 /nfs/dbraw/zinc/99/53/06/371995306.db2.gz QGHWMRIHVWXVMR-AAEUAGOBSA-N 2 1 222.332 1.386 10 0 BDAEMP [NH3+]CCn1cnc(C[NH2+]Cc2ccccc2)c1 ZINC000231647337 372067011 /nfs/dbraw/zinc/06/70/11/372067011.db2.gz KUTHUWXCHRFYIT-UHFFFAOYSA-N 2 1 230.315 1.132 10 0 BDAEMP C[C@@H]1CSCC[N@@H+]1C[C@](C)([NH3+])C1CC1 ZINC000069762464 373729708 /nfs/dbraw/zinc/72/97/08/373729708.db2.gz MKEYHTRYGHWONL-KOLCDFICSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@@H]1CSCC[N@H+]1C[C@](C)([NH3+])C1CC1 ZINC000069762464 373729714 /nfs/dbraw/zinc/72/97/14/373729714.db2.gz MKEYHTRYGHWONL-KOLCDFICSA-N 2 1 214.378 1.551 10 0 BDAEMP C[C@H]1CSCC[N@@H+]1CC1([NH3+])CCCC1 ZINC000069762542 373730308 /nfs/dbraw/zinc/73/03/08/373730308.db2.gz JAYRRGARYDEMMP-JTQLQIEISA-N 2 1 214.378 1.695 10 0 BDAEMP C[C@H]1CSCC[N@H+]1CC1([NH3+])CCCC1 ZINC000069762542 373730316 /nfs/dbraw/zinc/73/03/16/373730316.db2.gz JAYRRGARYDEMMP-JTQLQIEISA-N 2 1 214.378 1.695 10 0 BDAEMP OC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1 ZINC000063001596 183107098 /nfs/dbraw/zinc/10/70/98/183107098.db2.gz AXBRMEVRFASYKI-OAHLLOKOSA-N 2 1 248.370 1.796 10 0 BDAEMP OC[C@H](CCc1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000061625892 183137540 /nfs/dbraw/zinc/13/75/40/183137540.db2.gz DBEOSKFZZCRRTO-HNNXBMFYSA-N 2 1 248.370 1.275 10 0 BDAEMP OC[C@H](CCc1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000061625892 183137547 /nfs/dbraw/zinc/13/75/47/183137547.db2.gz DBEOSKFZZCRRTO-HNNXBMFYSA-N 2 1 248.370 1.275 10 0 BDAEMP CCC[NH+](CCC)CC[C@H]([NH2+]C(C)C)C(N)=O ZINC000062442131 169147459 /nfs/dbraw/zinc/14/74/59/169147459.db2.gz HAGFYEQTWSOBEL-LBPRGKRZSA-N 2 1 243.395 1.350 10 0 BDAEMP CCC[N@@H+](CCC[NH3+])[C@@H](C)C(=O)N1CCCC1 ZINC000036731939 169156647 /nfs/dbraw/zinc/15/66/47/169156647.db2.gz GONHYKQRUAQUBG-LBPRGKRZSA-N 2 1 241.379 1.058 10 0 BDAEMP CCC[N@@H+](CCO)CC(C)(C)C[NH2+]CC(C)C ZINC000051252766 169164863 /nfs/dbraw/zinc/16/48/63/169164863.db2.gz COYLTQCMPPUABM-UHFFFAOYSA-N 2 1 244.423 1.963 10 0 BDAEMP CCC[NH2+]C[C@@H](C)C[N@H+](C)C1CCN(C)CC1 ZINC000052419796 169261739 /nfs/dbraw/zinc/26/17/39/169261739.db2.gz UCTHEUQLNGRBCT-CYBMUJFWSA-N 2 1 241.423 1.648 10 0 BDAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)C1CCN(C)CC1 ZINC000052419796 169261741 /nfs/dbraw/zinc/26/17/41/169261741.db2.gz UCTHEUQLNGRBCT-CYBMUJFWSA-N 2 1 241.423 1.648 10 0 BDAEMP CCC[NH2+]C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607058 169263867 /nfs/dbraw/zinc/26/38/67/169263867.db2.gz XSOXLLZFIGOCOH-MELADBBJSA-N 2 1 242.407 1.857 10 0 BDAEMP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1CCC(N)=O ZINC000104429858 169276089 /nfs/dbraw/zinc/27/60/89/169276089.db2.gz IGXKETUWWHBZQL-RYUDHWBXSA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1CCC(N)=O ZINC000104429858 169276091 /nfs/dbraw/zinc/27/60/91/169276091.db2.gz IGXKETUWWHBZQL-RYUDHWBXSA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1CCC(N)=O ZINC000104429866 169276111 /nfs/dbraw/zinc/27/61/11/169276111.db2.gz IGXKETUWWHBZQL-NWDGAFQWSA-N 2 1 241.379 1.104 10 0 BDAEMP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1CCC(N)=O ZINC000104429866 169276113 /nfs/dbraw/zinc/27/61/13/169276113.db2.gz IGXKETUWWHBZQL-NWDGAFQWSA-N 2 1 241.379 1.104 10 0 BDAEMP CCCO[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000042425458 169311335 /nfs/dbraw/zinc/31/13/35/169311335.db2.gz DKCFCZVJKZGUME-CQSZACIVSA-N 2 1 240.391 1.877 10 0 BDAEMP CCC[C@@H](C)NC(=O)C[N@H+](CCC)CCC[NH3+] ZINC000049287584 169367709 /nfs/dbraw/zinc/36/77/09/169367709.db2.gz JJQDXBXSKPWMIA-GFCCVEGCSA-N 2 1 243.395 1.352 10 0 BDAEMP CCC[C@@H](C)NC(=O)C[N@@H+](CCC)CCC[NH3+] ZINC000049287584 169367711 /nfs/dbraw/zinc/36/77/11/169367711.db2.gz JJQDXBXSKPWMIA-GFCCVEGCSA-N 2 1 243.395 1.352 10 0 BDAEMP CCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371480877 169371323 /nfs/dbraw/zinc/37/13/23/169371323.db2.gz RRLULBBKXOAGGM-MNOVXSKESA-N 2 1 207.321 1.976 10 0 BDAEMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000223865245 134343166 /nfs/dbraw/zinc/34/31/66/134343166.db2.gz OEIBJNPWABBFFY-TZMCWYRMSA-N 2 1 240.391 1.611 10 0 BDAEMP Cc1ccc(N(C)C[C@@H]2CCC[NH2+]C2)[nH+]c1 ZINC000095071068 384338561 /nfs/dbraw/zinc/33/85/61/384338561.db2.gz GCWRYAUDKPVCIQ-GFCCVEGCSA-N 2 1 219.332 1.826 10 0 BDAEMP [NH3+]C[C@H]1C[C@@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000095828944 384399514 /nfs/dbraw/zinc/39/95/14/384399514.db2.gz SWGYRTDBCKJJOX-GHMZBOCLSA-N 2 1 241.338 1.873 10 0 BDAEMP [NH3+]C[C@H]1C[C@@H]2Cc3c4ccccc4[nH]c3C[N@H+]2C1 ZINC000095828944 384399517 /nfs/dbraw/zinc/39/95/17/384399517.db2.gz SWGYRTDBCKJJOX-GHMZBOCLSA-N 2 1 241.338 1.873 10 0 BDAEMP [NH3+][C@@H](CCO)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000100278774 384630392 /nfs/dbraw/zinc/63/03/92/384630392.db2.gz PYWOWVDBIHYQJK-GJZGRUSLSA-N 2 1 248.370 1.608 10 0 BDAEMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000336660170 384688390 /nfs/dbraw/zinc/68/83/90/384688390.db2.gz BTWWSIJNJVMMRF-GHMZBOCLSA-N 2 1 216.369 1.323 10 0 BDAEMP Cn1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275433726 385442773 /nfs/dbraw/zinc/44/27/73/385442773.db2.gz FKPGRDAADWWQMC-GFCCVEGCSA-N 2 1 244.342 1.574 10 0 BDAEMP COC1(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)CCCC1 ZINC000318914363 385522173 /nfs/dbraw/zinc/52/21/73/385522173.db2.gz BZXYENVVHZJDCY-GHMZBOCLSA-N 2 1 212.337 1.367 10 0 BDAEMP C([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCCSC1 ZINC000307028385 385649748 /nfs/dbraw/zinc/64/97/48/385649748.db2.gz BPFRSWJQHDPSAG-UWVGGRQHSA-N 2 1 200.351 1.081 10 0 BDAEMP C[C@@H](CCC[NH3+])[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000336683780 385669103 /nfs/dbraw/zinc/66/91/03/385669103.db2.gz ZKNVIDVRFZSABI-VIFPVBQESA-N 2 1 218.304 1.524 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@@]1(C[NH3+])CCS[C@@H]1C ZINC000575589084 386312458 /nfs/dbraw/zinc/31/24/58/386312458.db2.gz GKQRHCAGWWNUFP-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CCS[C@@H]1C ZINC000575589084 386312463 /nfs/dbraw/zinc/31/24/63/386312463.db2.gz GKQRHCAGWWNUFP-OPRDCNLKSA-N 2 1 200.351 1.304 10 0 BDAEMP CCOC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396540651 386772690 /nfs/dbraw/zinc/77/26/90/386772690.db2.gz AKZYWZJLUFVPMR-AXFHLTTASA-N 2 1 200.326 1.142 10 0 BDAEMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000396600001 386785583 /nfs/dbraw/zinc/78/55/83/386785583.db2.gz MVZUKEXAFHFCGR-WISYIIOYSA-N 2 1 212.337 1.142 10 0 BDAEMP C[C@@H]1C[C@H](C2CC[NH2+]CC2)C[C@@H](O)[N@H+]1C ZINC000536950644 387162157 /nfs/dbraw/zinc/16/21/57/387162157.db2.gz QNJMGHVWOFZSOG-ADEWGFFLSA-N 2 1 212.337 1.035 10 0 BDAEMP C[C@@H]1CC[N@@H+]1[C@@]1(C[NH3+])CSC[C@H]1C ZINC000575592977 387222685 /nfs/dbraw/zinc/22/26/85/387222685.db2.gz ZLKKSUPHWCQMDX-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CSC[C@H]1C ZINC000575592977 387222688 /nfs/dbraw/zinc/22/26/88/387222688.db2.gz ZLKKSUPHWCQMDX-BBBLOLIVSA-N 2 1 200.351 1.161 10 0 BDAEMP CC[C@@H]1CS[C@@]2(CC[NH2+][C@@H](C)C2)[NH2+]1 ZINC000575511531 387382144 /nfs/dbraw/zinc/38/21/44/387382144.db2.gz FQUFPUKVWBSGLK-IVZWLZJFSA-N 2 1 200.351 1.570 10 0 BDAEMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000515516623 387385772 /nfs/dbraw/zinc/38/57/72/387385772.db2.gz AHOUOTHZMUSMAG-ZIAGYGMSSA-N 3 1 241.423 1.696 10 0 BDAEMP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400430824 387699665 /nfs/dbraw/zinc/69/96/65/387699665.db2.gz BPZNZRNUOZRXKZ-AVGNSLFASA-N 2 1 225.380 1.058 10 0 BDAEMP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400430824 387699670 /nfs/dbraw/zinc/69/96/70/387699670.db2.gz BPZNZRNUOZRXKZ-AVGNSLFASA-N 2 1 225.380 1.058 10 0 BDAEMP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129243094 387766659 /nfs/dbraw/zinc/76/66/59/387766659.db2.gz JTFSAXRPFLLPIT-KGLIPLIRSA-N 3 1 239.407 1.450 10 0 BDAEMP c1ccc2c(c1)CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000643477985 387801687 /nfs/dbraw/zinc/80/16/87/387801687.db2.gz MKEINKDSXIFKCE-IUODEOHRSA-N 2 1 230.355 1.743 10 0 BDAEMP CC(C)C[C@H](C[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000085432190 388088641 /nfs/dbraw/zinc/08/86/41/388088641.db2.gz JHZUICFMNQKFMJ-SNVBAGLBSA-N 2 1 237.351 1.328 10 0 BDAEMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000336660220 388089465 /nfs/dbraw/zinc/08/94/65/388089465.db2.gz BTWWSIJNJVMMRF-QWRGUYRKSA-N 2 1 216.369 1.323 10 0 BDAEMP CC1(C)CC([N@@H+]2CC[C@H](C[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000071575477 388100582 /nfs/dbraw/zinc/10/05/82/388100582.db2.gz VHISTVIFBWNPJH-LLVKDONJSA-N 3 1 239.407 1.576 10 0 BDAEMP CC1(C)CC([N@H+]2CC[C@H](C[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000071575477 388100584 /nfs/dbraw/zinc/10/05/84/388100584.db2.gz VHISTVIFBWNPJH-LLVKDONJSA-N 3 1 239.407 1.576 10 0 BDAEMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000086724712 388108370 /nfs/dbraw/zinc/10/83/70/388108370.db2.gz SLKNLMABKPWFTA-OLZOCXBDSA-N 3 1 227.396 1.448 10 0 BDAEMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCSC1)C2 ZINC000367821055 388566239 /nfs/dbraw/zinc/56/62/39/388566239.db2.gz MSEIXDNUCQUKEK-QWRGUYRKSA-N 2 1 237.372 1.683 10 0 BDAEMP CC1C[NH+]([C@]2(C[NH3+])CSC[C@@H]2C)C1 ZINC000575494714 388954078 /nfs/dbraw/zinc/95/40/78/388954078.db2.gz XMDRXUNRRZMKGX-VHSXEESVSA-N 2 1 200.351 1.019 10 0 BDAEMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400390088 533381376 /nfs/dbraw/zinc/38/13/76/533381376.db2.gz ZMNRIJSCOUEATC-ZIAGYGMSSA-N 3 1 239.407 1.450 10 0 BDAEMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400390051 533394207 /nfs/dbraw/zinc/39/42/07/533394207.db2.gz ZLBPLWQDNQZXDC-ZIAGYGMSSA-N 2 1 239.407 1.306 10 0 BDAEMP Cc1ccc[nH+]c1N1CCC[C@@H](C[NH3+])C1 ZINC000051041286 132359826 /nfs/dbraw/zinc/35/98/26/132359826.db2.gz YYCMJBRURKALQA-NSHDSACASA-N 2 1 205.305 1.565 10 0 BDAEMP C[C@H]1C[N@H+](CCC[NH+]2CCCC2)CCCO1 ZINC000179243135 134318471 /nfs/dbraw/zinc/31/84/71/134318471.db2.gz YJDQVFGFWYPXKE-ZDUSSCGKSA-N 2 1 226.364 1.583 10 0 BDAEMP C[C@H]1C[N@@H+](CCC[NH+]2CCCC2)CCCO1 ZINC000179243135 134318472 /nfs/dbraw/zinc/31/84/72/134318472.db2.gz YJDQVFGFWYPXKE-ZDUSSCGKSA-N 2 1 226.364 1.583 10 0 BDAEMP Cc1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cnn1C ZINC000257649182 135138487 /nfs/dbraw/zinc/13/84/87/135138487.db2.gz CVDGNQDGNCZKMK-UHFFFAOYSA-N 2 1 248.374 1.304 10 0 BDAEMP CC1(C)C[N@@H+](C[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261535934 135170191 /nfs/dbraw/zinc/17/01/91/135170191.db2.gz PSYRUYYZQBUXTL-GHMZBOCLSA-N 2 1 212.337 1.082 10 0 BDAEMP Cc1cccnc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261541871 135181536 /nfs/dbraw/zinc/18/15/36/135181536.db2.gz BRPRDKQXYSZFSO-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP Cc1cccnc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261541871 135181538 /nfs/dbraw/zinc/18/15/38/135181538.db2.gz BRPRDKQXYSZFSO-CYBMUJFWSA-N 2 1 233.359 1.949 10 0 BDAEMP C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261544411 135185613 /nfs/dbraw/zinc/18/56/13/135185613.db2.gz XWPSTNYQUXWQJZ-RYUDHWBXSA-N 2 1 236.363 1.413 10 0 BDAEMP C[C@@H](c1cnn(C)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261544411 135185615 /nfs/dbraw/zinc/18/56/15/135185615.db2.gz XWPSTNYQUXWQJZ-RYUDHWBXSA-N 2 1 236.363 1.413 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000261550910 135190026 /nfs/dbraw/zinc/19/00/26/135190026.db2.gz PYDJWDVDCCKLFI-GMSGAONNSA-N 2 1 246.763 1.071 10 0 BDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000261557820 135198993 /nfs/dbraw/zinc/19/89/93/135198993.db2.gz XPNVLFRBUYWPKA-VXNVDRBHSA-N 2 1 246.763 1.071 10 0 BDAEMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cnn1C ZINC000261562667 135204047 /nfs/dbraw/zinc/20/40/47/135204047.db2.gz WMDGJYQZTISRCK-GFCCVEGCSA-N 2 1 236.363 1.288 10 0 BDAEMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cnn1C ZINC000261562667 135204049 /nfs/dbraw/zinc/20/40/49/135204049.db2.gz WMDGJYQZTISRCK-GFCCVEGCSA-N 2 1 236.363 1.288 10 0 BDAEMP CC1(C)C[N@@H+](CC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261997995 135270771 /nfs/dbraw/zinc/27/07/71/135270771.db2.gz SZZWDMBPLYOOSB-NWDGAFQWSA-N 2 1 226.364 1.472 10 0 BDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000262130925 135280759 /nfs/dbraw/zinc/28/07/59/135280759.db2.gz NXNUOOUGURFFEH-MFKMUULPSA-N 2 1 246.310 1.103 10 0 BDAEMP c1cnn([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000262302314 135291584 /nfs/dbraw/zinc/29/15/84/135291584.db2.gz XSYRPHAYPXMLSJ-AWEZNQCLSA-N 2 1 248.374 1.520 10 0 BDAEMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@H]1O ZINC000299891584 135381123 /nfs/dbraw/zinc/38/11/23/135381123.db2.gz WHTVQZKFMLVFOV-QWHCGFSZSA-N 2 1 226.364 1.175 10 0 BDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC[NH+](C)C ZINC000082718269 135441129 /nfs/dbraw/zinc/44/11/29/135441129.db2.gz RIUQTRYQNPDJTP-CHWSQXEVSA-N 2 1 225.380 1.107 10 0 BDAEMP CCc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000382508334 397954801 /nfs/dbraw/zinc/95/48/01/397954801.db2.gz NMCXTBDFUHOGBA-ZYHUDNBSSA-N 2 1 234.347 1.887 10 0 BDAEMP CCN1CC[N@@H+](Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000584627189 398080210 /nfs/dbraw/zinc/08/02/10/398080210.db2.gz OSLMDZNWBSEOON-OAHLLOKOSA-N 2 1 247.386 1.542 10 0 BDAEMP Cc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)nc(C)[nH+]1 ZINC000389728374 398130054 /nfs/dbraw/zinc/13/00/54/398130054.db2.gz NEPGBZHGALZVRF-KWQFWETISA-N 2 1 220.320 1.503 10 0 BDAEMP CC(C)[N@@H+]1CC[C@H](N2CCC(C[NH3+])CC2)C1 ZINC000045659841 167024579 /nfs/dbraw/zinc/02/45/79/167024579.db2.gz TYEZGOUUIDLCLM-ZDUSSCGKSA-N 2 1 225.380 1.140 10 0 BDAEMP CC(C)[N@H+]1CC[C@H](N2CCC(C[NH3+])CC2)C1 ZINC000045659841 167024584 /nfs/dbraw/zinc/02/45/84/167024584.db2.gz TYEZGOUUIDLCLM-ZDUSSCGKSA-N 2 1 225.380 1.140 10 0 BDAEMP CC(C)[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCC1 ZINC000061711818 167099262 /nfs/dbraw/zinc/09/92/62/167099262.db2.gz BLVGFSRIYOEVRE-CYBMUJFWSA-N 2 1 240.391 1.611 10 0 BDAEMP C(C[C@@H]1CCCO1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310290848 487588678 /nfs/dbraw/zinc/58/86/78/487588678.db2.gz RMSAFADECNHAJW-AWEZNQCLSA-N 2 1 238.375 1.772 10 0 BDAEMP CC(C)[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000306300620 487607622 /nfs/dbraw/zinc/60/76/22/487607622.db2.gz HQJFQLRRLRDYEF-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP CC(C)[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000306300620 487607624 /nfs/dbraw/zinc/60/76/24/487607624.db2.gz HQJFQLRRLRDYEF-MNOVXSKESA-N 2 1 200.326 1.081 10 0 BDAEMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000396697810 410896447 /nfs/dbraw/zinc/89/64/47/410896447.db2.gz KBRHXJGHVSNFOY-BXKDBHETSA-N 2 1 208.349 1.905 10 0 BDAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000396697811 410897262 /nfs/dbraw/zinc/89/72/62/410897262.db2.gz KBRHXJGHVSNFOY-CABZTGNLSA-N 2 1 208.349 1.905 10 0 BDAEMP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)C2CC2)O1 ZINC000052445585 167006066 /nfs/dbraw/zinc/00/60/66/167006066.db2.gz VEUPOYYPVVJXHX-KBPBESRZSA-N 2 1 240.391 1.874 10 0 BDAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCO ZINC000058419321 167030016 /nfs/dbraw/zinc/03/00/16/167030016.db2.gz IWXASOKMHOOQCM-FUNVUKJBSA-N 2 1 226.364 1.077 10 0 BDAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCO ZINC000058419321 167030020 /nfs/dbraw/zinc/03/00/20/167030020.db2.gz IWXASOKMHOOQCM-FUNVUKJBSA-N 2 1 226.364 1.077 10 0 BDAEMP CC(C)[NH2+]CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C)C1 ZINC000062971803 167102441 /nfs/dbraw/zinc/10/24/41/167102441.db2.gz WYATXTGCXRCMHG-KGLIPLIRSA-N 2 1 241.423 1.789 10 0 BDAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000050271006 167136454 /nfs/dbraw/zinc/13/64/54/167136454.db2.gz CHQCPVKLLQNASU-AWEZNQCLSA-N 2 1 218.344 1.871 10 0 BDAEMP CCc1cc(N(C)CC(C)(C)[NH3+])nc(C)[nH+]1 ZINC000656609000 411307539 /nfs/dbraw/zinc/30/75/39/411307539.db2.gz SCIXNYGVQAKNER-UHFFFAOYSA-N 2 1 222.336 1.521 10 0 BDAEMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000653760096 411333896 /nfs/dbraw/zinc/33/38/96/411333896.db2.gz HAPROPXAPTXAPM-CYBMUJFWSA-N 2 1 240.391 1.611 10 0 BDAEMP CC[N@H+]1CC[C@H](CN2CCC[NH2+]CCC2)C1 ZINC000049666736 170014328 /nfs/dbraw/zinc/01/43/28/170014328.db2.gz HPAHYAHOXKAVIE-ZDUSSCGKSA-N 2 1 225.380 1.014 10 0 BDAEMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000336906990 170022556 /nfs/dbraw/zinc/02/25/56/170022556.db2.gz YKYGDMAGLMJXMK-MELADBBJSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000336906990 170022558 /nfs/dbraw/zinc/02/25/58/170022558.db2.gz YKYGDMAGLMJXMK-MELADBBJSA-N 2 1 237.391 1.297 10 0 BDAEMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336906990 170022559 /nfs/dbraw/zinc/02/25/59/170022559.db2.gz YKYGDMAGLMJXMK-MELADBBJSA-N 2 1 237.391 1.297 10 0 BDAEMP CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000336906990 170022561 /nfs/dbraw/zinc/02/25/61/170022561.db2.gz YKYGDMAGLMJXMK-MELADBBJSA-N 2 1 237.391 1.297 10 0 BDAEMP CCN1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336906990 170022562 /nfs/dbraw/zinc/02/25/62/170022562.db2.gz YKYGDMAGLMJXMK-MELADBBJSA-N 2 1 237.391 1.297 10 0 BDAEMP CCNC(=O)CC[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000051757627 170050333 /nfs/dbraw/zinc/05/03/33/170050333.db2.gz MUWAVECEFRFIOJ-UHFFFAOYSA-N 2 1 249.358 1.103 10 0 BDAEMP CC[NH2+]C[C@H](C)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942495 170122259 /nfs/dbraw/zinc/12/22/59/170122259.db2.gz NXWVAOFPWLDCIH-UONOGXRCSA-N 2 1 239.407 1.402 10 0 BDAEMP CC[NH2+][C@@H](C)C1CCN(c2[nH+]ccn2C)CC1 ZINC000104409260 170139467 /nfs/dbraw/zinc/13/94/67/170139467.db2.gz LDYJBDSIAXIXKF-NSHDSACASA-N 2 1 236.363 1.635 10 0 BDAEMP CC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC000049712913 170152303 /nfs/dbraw/zinc/15/23/03/170152303.db2.gz UMHZFZFGZRTFDO-BFHYXJOUSA-N 2 1 239.407 1.258 10 0 BDAEMP CC[NH2+][C@H](CC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061711963 170161825 /nfs/dbraw/zinc/16/18/25/170161825.db2.gz NILSMORDHVDOKE-LSDHHAIUSA-N 2 1 248.370 1.794 10 0 BDAEMP CC[NH2+][C@H](CC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061711963 170161826 /nfs/dbraw/zinc/16/18/26/170161826.db2.gz NILSMORDHVDOKE-LSDHHAIUSA-N 2 1 248.370 1.794 10 0 BDAEMP CCOC(C[N@@H+]1CCC[C@H](C[NH2+]C)C1)OCC ZINC000104353213 170314702 /nfs/dbraw/zinc/31/47/02/170314702.db2.gz YYJZPHVIYISJRR-GFCCVEGCSA-N 2 1 244.379 1.317 10 0 BDAEMP CCOC(C[N@H+]1CCC[C@H](C[NH2+]C)C1)OCC ZINC000104353213 170314703 /nfs/dbraw/zinc/31/47/03/170314703.db2.gz YYJZPHVIYISJRR-GFCCVEGCSA-N 2 1 244.379 1.317 10 0 BDAEMP C[N@@H+](Cc1ccc(N)nc1)C[C@@H]1CC[NH+](C)C1 ZINC000071191101 411610302 /nfs/dbraw/zinc/61/03/02/411610302.db2.gz JZCIQZMCEQIFCN-GFCCVEGCSA-N 2 1 234.347 1.047 10 0 BDAEMP C[N@H+](Cc1ccc(N)nc1)C[C@@H]1CC[NH+](C)C1 ZINC000071191101 411610304 /nfs/dbraw/zinc/61/03/04/411610304.db2.gz JZCIQZMCEQIFCN-GFCCVEGCSA-N 2 1 234.347 1.047 10 0 BDAEMP C[NH+](Cc1ccc(N)nc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191101 411610306 /nfs/dbraw/zinc/61/03/06/411610306.db2.gz JZCIQZMCEQIFCN-GFCCVEGCSA-N 2 1 234.347 1.047 10 0 BDAEMP C[NH+](Cc1ccc(N)nc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191101 411610308 /nfs/dbraw/zinc/61/03/08/411610308.db2.gz JZCIQZMCEQIFCN-GFCCVEGCSA-N 2 1 234.347 1.047 10 0 BDAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](CCO)C(C)C)C1 ZINC000042478614 171055396 /nfs/dbraw/zinc/05/53/96/171055396.db2.gz ICKXPBPORULOOJ-MGPQQGTHSA-N 2 1 242.407 1.843 10 0 BDAEMP CC[C@@H]1CN(CC(CC)(CC)C[NH3+])CC[N@H+]1C ZINC000104134981 171075811 /nfs/dbraw/zinc/07/58/11/171075811.db2.gz VJLDWXJOHGCEQZ-CYBMUJFWSA-N 2 1 241.423 1.778 10 0 BDAEMP CC[C@@H]1CN(CC[C@H]([NH3+])C(C)(C)C)CC[N@H+]1C ZINC000104132358 171084954 /nfs/dbraw/zinc/08/49/54/171084954.db2.gz MNGJHEVMZNLXDI-OLZOCXBDSA-N 2 1 241.423 1.776 10 0 BDAEMP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052570983 171114890 /nfs/dbraw/zinc/11/48/90/171114890.db2.gz LANCNRLFADRPTH-ZYHUDNBSSA-N 2 1 238.331 1.738 10 0 BDAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccoc1C[NH3+] ZINC000052570983 171114893 /nfs/dbraw/zinc/11/48/93/171114893.db2.gz LANCNRLFADRPTH-ZYHUDNBSSA-N 2 1 238.331 1.738 10 0 BDAEMP CC[C@@](C)(C[NH3+])N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053206345 171166207 /nfs/dbraw/zinc/16/62/07/171166207.db2.gz CTCQYPGNFXIFFP-NEPJUHHUSA-N 2 1 213.369 1.140 10 0 BDAEMP CC[C@@]1(C[N@@H+]2CCOCC2(C)C)CCC[NH2+]C1 ZINC000062862464 171211595 /nfs/dbraw/zinc/21/15/95/171211595.db2.gz DOFSNZHPZPAPQA-CQSZACIVSA-N 2 1 240.391 1.877 10 0 BDAEMP CC[C@@]1(C[N@H+]2CCOCC2(C)C)CCC[NH2+]C1 ZINC000062862464 171211598 /nfs/dbraw/zinc/21/15/98/171211598.db2.gz DOFSNZHPZPAPQA-CQSZACIVSA-N 2 1 240.391 1.877 10 0 BDAEMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000665235929 412177068 /nfs/dbraw/zinc/17/70/68/412177068.db2.gz CMOGXXISCYLDOZ-QWHCGFSZSA-N 2 1 239.407 1.591 10 0 BDAEMP CCc1nc(N[C@H](C)C[NH2+]C)cc(C)[nH+]1 ZINC000663279977 412408082 /nfs/dbraw/zinc/40/80/82/412408082.db2.gz WEDHSRBJRNXKGN-SECBINFHSA-N 2 1 208.309 1.367 10 0 BDAEMP CCc1[nH+]ccn1Cc1csc(C[NH3+])n1 ZINC000052593049 172027329 /nfs/dbraw/zinc/02/73/29/172027329.db2.gz AIZBUEUVRWRWMC-UHFFFAOYSA-N 2 1 222.317 1.409 10 0 BDAEMP CCn1cc[nH+]c1N(C)Cc1ccc(C[NH3+])cc1 ZINC000050607966 172225986 /nfs/dbraw/zinc/22/59/86/172225986.db2.gz KKXKFKREPDFLHE-UHFFFAOYSA-N 2 1 244.342 1.998 10 0 BDAEMP C[N@H+]1CCC[C@@H](Nc2cc(N)cc[nH+]2)C1 ZINC000043569042 173020775 /nfs/dbraw/zinc/02/07/75/173020775.db2.gz KQRBLWCIABTRDB-SNVBAGLBSA-N 2 1 206.293 1.170 10 0 BDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@]2(CC[NH2+]C2)C1 ZINC000096984083 173086833 /nfs/dbraw/zinc/08/68/33/173086833.db2.gz GRRMNRWQRXHGSL-HNNXBMFYSA-N 2 1 245.370 1.166 10 0 BDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@]2(CC[NH2+]C2)C1 ZINC000096984083 173086835 /nfs/dbraw/zinc/08/68/35/173086835.db2.gz GRRMNRWQRXHGSL-HNNXBMFYSA-N 2 1 245.370 1.166 10 0 BDAEMP CN(C)c1cc[nH+]cc1N[C@@H]1CC[N@@H+](C)C1 ZINC000061985082 173125121 /nfs/dbraw/zinc/12/51/21/173125121.db2.gz RBKKPSMIBQGNMI-SNVBAGLBSA-N 2 1 220.320 1.264 10 0 BDAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)CC1CCC([NH3+])CC1 ZINC000071190898 173143582 /nfs/dbraw/zinc/14/35/82/173143582.db2.gz BLNAXEWNOWMGQZ-MOKVOYLWSA-N 3 1 239.407 1.387 10 0 BDAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)CC1CCC([NH3+])CC1 ZINC000071190898 173143584 /nfs/dbraw/zinc/14/35/84/173143584.db2.gz BLNAXEWNOWMGQZ-MOKVOYLWSA-N 3 1 239.407 1.387 10 0 BDAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)CC1CCC([NH3+])CC1 ZINC000071190898 173143585 /nfs/dbraw/zinc/14/35/85/173143585.db2.gz BLNAXEWNOWMGQZ-MOKVOYLWSA-N 3 1 239.407 1.387 10 0 BDAEMP CN1CC[C@H](C[N@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000071190898 173143588 /nfs/dbraw/zinc/14/35/88/173143588.db2.gz BLNAXEWNOWMGQZ-MOKVOYLWSA-N 2 1 239.407 1.387 10 0 BDAEMP CN1CC[C@H](C[N@@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000071190898 173143589 /nfs/dbraw/zinc/14/35/89/173143589.db2.gz BLNAXEWNOWMGQZ-MOKVOYLWSA-N 2 1 239.407 1.387 10 0 BDAEMP C[N@@H+]1CC[C@H](CNc2ccc(N)[nH+]c2)C1 ZINC000037484611 173146321 /nfs/dbraw/zinc/14/63/21/173146321.db2.gz KDFPMFGGZGDLFW-SECBINFHSA-N 2 1 206.293 1.027 10 0 BDAEMP C[N@H+]1CC[C@H](CNc2ccc(N)[nH+]c2)C1 ZINC000037484611 173146322 /nfs/dbraw/zinc/14/63/22/173146322.db2.gz KDFPMFGGZGDLFW-SECBINFHSA-N 2 1 206.293 1.027 10 0 BDAEMP C[N@H+]1CCc2nc(CCC[NH3+])sc2C1 ZINC000011886856 173173559 /nfs/dbraw/zinc/17/35/59/173173559.db2.gz DETZNZPUADKOMU-UHFFFAOYSA-N 2 1 211.334 1.022 10 0 BDAEMP C[NH2+]CCCCC[N@@H+](C)CCc1ccccn1 ZINC000052423941 173344953 /nfs/dbraw/zinc/34/49/53/173344953.db2.gz QOKIHOBTPANWIH-UHFFFAOYSA-N 2 1 235.375 1.946 10 0 BDAEMP C[NH2+]CCC[NH2+]Cc1cccc(C)c1F ZINC000083346354 173350158 /nfs/dbraw/zinc/35/01/58/173350158.db2.gz CQJCDMSURWHYBD-UHFFFAOYSA-N 2 1 210.296 1.833 10 0 BDAEMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000049328863 173367673 /nfs/dbraw/zinc/36/76/73/173367673.db2.gz QTMQGLHERVDOEL-ZDUSSCGKSA-N 3 1 236.363 1.205 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000011891963 173381890 /nfs/dbraw/zinc/38/18/90/173381890.db2.gz KNMCIJBWPXFAAJ-GFCCVEGCSA-N 2 1 248.326 1.457 10 0 BDAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000011891963 173381892 /nfs/dbraw/zinc/38/18/92/173381892.db2.gz KNMCIJBWPXFAAJ-GFCCVEGCSA-N 2 1 248.326 1.457 10 0 BDAEMP C[NH2+]Cc1cc(Cn2cc[nH+]c2C)c(C)o1 ZINC000052576204 173386779 /nfs/dbraw/zinc/38/67/79/173386779.db2.gz HGGXUZVHRGAFEP-UHFFFAOYSA-N 2 1 219.288 1.861 10 0 BDAEMP C[NH2+]Cc1ccoc1C[N@H+]1CCC[C@@H]1C ZINC000052375685 173391349 /nfs/dbraw/zinc/39/13/49/173391349.db2.gz NCFAJKCILUCUCH-JTQLQIEISA-N 2 1 208.305 1.983 10 0 BDAEMP COCC[N@H+](C)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000042458932 174281910 /nfs/dbraw/zinc/28/19/10/174281910.db2.gz GIIZPBBOTYQFSM-NWDGAFQWSA-N 2 1 214.353 1.615 10 0 BDAEMP COCC[N@@H+](C)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000042458932 174281911 /nfs/dbraw/zinc/28/19/11/174281911.db2.gz GIIZPBBOTYQFSM-NWDGAFQWSA-N 2 1 214.353 1.615 10 0 BDAEMP COCC[N@H+](C)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000042458934 174284271 /nfs/dbraw/zinc/28/42/71/174284271.db2.gz GIIZPBBOTYQFSM-RYUDHWBXSA-N 2 1 214.353 1.615 10 0 BDAEMP COCC[N@@H+](C)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000042458934 174284273 /nfs/dbraw/zinc/28/42/73/174284273.db2.gz GIIZPBBOTYQFSM-RYUDHWBXSA-N 2 1 214.353 1.615 10 0 BDAEMP COCC[N@@H+](Cc1ccc(C(N)=[NH2+])cc1)C1CC1 ZINC000042518455 174299484 /nfs/dbraw/zinc/29/94/84/174299484.db2.gz MSRYUUPYVNPFBP-UHFFFAOYSA-N 2 1 247.342 1.581 10 0 BDAEMP COCC[N@H+]([C@H](C)COC)C1(C[NH3+])CCCC1 ZINC000042606622 174303078 /nfs/dbraw/zinc/30/30/78/174303078.db2.gz JIDRJWQBZYXZKL-GFCCVEGCSA-N 2 1 244.379 1.241 10 0 BDAEMP COc1ccc(C[N@@H+](C)C[C@@H](C)C[NH3+])cc1F ZINC000042455876 175095157 /nfs/dbraw/zinc/09/51/57/175095157.db2.gz XDJFLAWAYOKYLK-JTQLQIEISA-N 2 1 240.322 1.861 10 0 BDAEMP COc1ccc(C[N@@H+](C)[C@@H](C)CC[NH3+])cc1 ZINC000042441476 175096491 /nfs/dbraw/zinc/09/64/91/175096491.db2.gz MTUBWXLNSZCAOS-NSHDSACASA-N 2 1 222.332 1.864 10 0 BDAEMP COc1ccc(C[NH3+])cc1Cn1cc[nH+]c1C ZINC000016942092 175097509 /nfs/dbraw/zinc/09/75/09/175097509.db2.gz OMJSJWBHIMOXHI-UHFFFAOYSA-N 2 1 231.299 1.707 10 0 BDAEMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000037645817 175107276 /nfs/dbraw/zinc/10/72/76/175107276.db2.gz WFLRBKVWLUFSAT-ZDUSSCGKSA-N 2 1 234.343 1.737 10 0 BDAEMP COc1ccccc1C[C@](C)(C[NH3+])[NH2+]C(C)C ZINC000050271017 175333443 /nfs/dbraw/zinc/33/34/43/175333443.db2.gz IHMIFTWMDXWZMZ-CQSZACIVSA-N 2 1 236.359 1.953 10 0 BDAEMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC[NH2+]1 ZINC000044510692 176170754 /nfs/dbraw/zinc/17/07/54/176170754.db2.gz AJNAVPBSCUMQPT-NEPJUHHUSA-N 2 1 212.337 1.239 10 0 BDAEMP C[C@@H]1CC[C@H](O)[C@H](C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000104189027 176235296 /nfs/dbraw/zinc/23/52/96/176235296.db2.gz NQYJPDJYSJUYGV-RDBSUJKOSA-N 2 1 242.407 1.667 10 0 BDAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051693982 176278490 /nfs/dbraw/zinc/27/84/90/176278490.db2.gz 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CC(C)(C)n1cc([C@H]2CC[NH2+][C@H](C[NH3+])C2)cn1 ZINC000757238514 586444209 /nfs/dbraw/zinc/44/42/09/586444209.db2.gz SIMAZKVIYZJHCR-JQWIXIFHSA-N 2 1 236.363 1.432 10 0 BDAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000071190951 643105418 /nfs/dbraw/zinc/10/54/18/643105418.db2.gz ZKNMXJOIOLOPBS-ZIAGYGMSSA-N 3 1 239.407 1.260 10 0 BDAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757151929 643340802 /nfs/dbraw/zinc/34/08/02/643340802.db2.gz RYHMUOADDIHUGS-OLZOCXBDSA-N 2 1 224.348 1.587 10 0 BDAEMP C[C@@]1(CN2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000094462568 644717891 /nfs/dbraw/zinc/71/78/91/644717891.db2.gz UVJJYZYMMWUAPY-ZIAGYGMSSA-N 2 1 237.391 1.156 10 0 BDAEMP C(C[NH2+]C1CC1)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000094439106 644719012 /nfs/dbraw/zinc/71/90/12/644719012.db2.gz QODRXXYOROSICW-AWEZNQCLSA-N 2 1 237.391 1.299 10 0 BDAEMP [NH3+]CCCCCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000094440598 644719111 /nfs/dbraw/zinc/71/91/11/644719111.db2.gz LCFVHNSBZRBXTL-AWEZNQCLSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CCCCCC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000094440598 644719116 /nfs/dbraw/zinc/71/91/16/644719116.db2.gz LCFVHNSBZRBXTL-AWEZNQCLSA-N 2 1 239.407 1.676 10 0 BDAEMP [NH3+]CCCCCC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000094440598 644719118 /nfs/dbraw/zinc/71/91/18/644719118.db2.gz LCFVHNSBZRBXTL-AWEZNQCLSA-N 2 1 239.407 1.676 10 0 BDAEMP C[N@@H+](C[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000708347534 712190062 /nfs/dbraw/zinc/19/00/62/712190062.db2.gz JCSZGUFZCCTWPG-CHWSQXEVSA-N 2 1 240.391 1.875 10 0 BDAEMP C[C@H]1C[N@@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000708861259 712201393 /nfs/dbraw/zinc/20/13/93/712201393.db2.gz GKFJXWDIRRPLME-RYUDHWBXSA-N 2 1 214.353 1.066 10 0 BDAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719210061 712800073 /nfs/dbraw/zinc/80/00/73/712800073.db2.gz BKQWYWOVXXSIRL-QWHCGFSZSA-N 2 1 242.407 1.857 10 0 BDAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000723119263 711505032 /nfs/dbraw/zinc/50/50/32/711505032.db2.gz 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