smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccccc1Nc1[nH]c2ccccc2[nH+]1 ZINC000000003421 343371556 /nfs/dbraw/zinc/37/15/56/343371556.db2.gz YCZZPUSUALSVCO-UHFFFAOYSA-N 1 1 243.697 3.960 10 0 BHAEMO c1ccc(CCNc2[nH+]ccc3ccccc32)cc1 ZINC000000013167 183394574 /nfs/dbraw/zinc/39/45/74/183394574.db2.gz CLJQYDKIAPWZCK-UHFFFAOYSA-N 1 1 248.329 3.889 10 0 BHAEMO CCn1c2ccccc2[nH+]c1Nc1ccccc1 ZINC000000513582 172146379 /nfs/dbraw/zinc/14/63/79/172146379.db2.gz KYKKYOKDYUPYHS-UHFFFAOYSA-N 1 1 237.306 3.800 10 0 BHAEMO C[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000000968306 342695127 /nfs/dbraw/zinc/69/51/27/342695127.db2.gz YXKTVDFXDRQTKV-OAHLLOKOSA-N 1 1 239.362 3.750 10 0 world BHAEMO c1ccc([C@@H]2C[N@@H+]3CC[C@@H]3c3ccccc32)cc1 ZINC000001537032 352600204 /nfs/dbraw/zinc/60/02/04/352600204.db2.gz ZPPKVPYQLWTSIK-DLBZAZTESA-N 1 1 235.330 3.579 10 0 BHAEMO Cc1ccc2c(c1)-c1cccc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000001844037 342712909 /nfs/dbraw/zinc/71/29/09/342712909.db2.gz VUYKJMZDCAQKIO-KRWDZBQOSA-N 1 1 249.357 3.747 10 0 BHAEMO C[N@H+]1CCC[C@@H]1c1c[nH]c2cccc(Cl)c21 ZINC000002016820 362381286 /nfs/dbraw/zinc/38/12/86/362381286.db2.gz ROUPHMNZHLBCGO-GFCCVEGCSA-N 1 1 234.730 3.588 10 0 BHAEMO C[N@H+]1[C@@H](c2c[nH]c3ccccc23)CCC1(C)C ZINC000002016824 342714395 /nfs/dbraw/zinc/71/43/95/342714395.db2.gz CTLWQMICLDLMLR-CQSZACIVSA-N 1 1 228.339 3.713 10 0 BHAEMO C[N@H+]1CCC[C@H]1c1c[nH]c2ccc(Cl)cc21 ZINC000002016854 368736435 /nfs/dbraw/zinc/73/64/35/368736435.db2.gz KSVBDCVNOLOLNW-ZDUSSCGKSA-N 1 1 234.730 3.588 10 0 BHAEMO CCC[N@H+]1CCC[C@H](c2ccc(C)c(C)c2)C1 ZINC000002384259 169199029 /nfs/dbraw/zinc/19/90/29/169199029.db2.gz WKCUEEXFTZSNLI-INIZCTEOSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCCC[C@H](CC)[C@H]1OCC[N@H+]1CCCC ZINC000003137674 169001448 /nfs/dbraw/zinc/00/14/48/169001448.db2.gz CYMHAQCMKNVHPA-UONOGXRCSA-N 1 1 227.392 3.661 10 0 BHAEMO CCC[N@H+]1CC[C@@](CCC)(c2cccc(O)c2)C1 ZINC000003603570 169207292 /nfs/dbraw/zinc/20/72/92/169207292.db2.gz JZPVDDWSEXZWJH-MRXNPFEDSA-N 1 1 247.382 3.546 10 0 BHAEMO CCC[N@H+]1CC[C@](CCC)(c2cccc(O)c2)C1 ZINC000003603572 169209462 /nfs/dbraw/zinc/20/94/62/169209462.db2.gz JZPVDDWSEXZWJH-INIZCTEOSA-N 1 1 247.382 3.546 10 0 BHAEMO C(C1CC1)[N@H+]1CCCC12C1CC3CC(C1)CC2C3 ZINC000003637386 188101699 /nfs/dbraw/zinc/10/16/99/188101699.db2.gz QMOAJZCVNGQOMI-UHFFFAOYSA-N 1 1 245.410 3.687 10 0 BHAEMO c1ccc([C@H]2C[N@@H+]3CC[C@@H]3c3ccccc32)cc1 ZINC000003776681 368882736 /nfs/dbraw/zinc/88/27/36/368882736.db2.gz ZPPKVPYQLWTSIK-IAGOWNOFSA-N 1 1 235.330 3.579 10 0 BHAEMO CCCC[N@H+]1CC[C@H]2c3ccccc3CC[C@@H]2C1 ZINC000003788553 368882379 /nfs/dbraw/zinc/88/23/79/368882379.db2.gz HHEIQDXGHHAKRI-NVXWUHKLSA-N 1 1 243.394 3.838 10 0 BHAEMO C[C@@H]1CC[C@@H](c2ccoc2)[N@H+]2C[C@@H](C)CC[C@@H]12 ZINC000004098441 177207065 /nfs/dbraw/zinc/20/70/65/177207065.db2.gz VACYOTYBTLYIEB-NEBZKDRISA-N 1 1 233.355 3.851 10 0 biogenic,in-vitro BHAEMO CCCC[C@H](CC)[C@@H]1OCC[N@H+]1CCCC ZINC000004977264 169001052 /nfs/dbraw/zinc/00/10/52/169001052.db2.gz CYMHAQCMKNVHPA-KBPBESRZSA-N 1 1 227.392 3.661 10 0 BHAEMO C[N@H+]1[C@@H](C(C)(C)C)CCC[C@H]1C(C)(C)C ZINC000005354147 173205062 /nfs/dbraw/zinc/20/50/62/173205062.db2.gz GWIVMGASCWOOFD-TXEJJXNPSA-N 1 1 211.393 3.932 10 0 BHAEMO C[N@H+]1[C@H](c2c[nH]c3ccccc23)CCC1(C)C ZINC000005454505 342764062 /nfs/dbraw/zinc/76/40/62/342764062.db2.gz CTLWQMICLDLMLR-AWEZNQCLSA-N 1 1 228.339 3.713 10 0 BHAEMO CC[C@@H]1CC[C@H](c2c[nH]c3ccccc23)[N@H+]1C ZINC000005651189 342767942 /nfs/dbraw/zinc/76/79/42/342767942.db2.gz SCSHLMQESUQPEU-IAQYHMDHSA-N 1 1 228.339 3.713 10 0 BHAEMO CC[C@@H]1CC[C@@H](c2c[nH]c3ccccc32)[N@H+]1C ZINC000005651191 342767850 /nfs/dbraw/zinc/76/78/50/342767850.db2.gz SCSHLMQESUQPEU-ABAIWWIYSA-N 1 1 228.339 3.713 10 0 BHAEMO CC[C@H]1CC[C@H](c2c[nH]c3ccccc23)[N@H+]1C ZINC000005651511 342767874 /nfs/dbraw/zinc/76/78/74/342767874.db2.gz SCSHLMQESUQPEU-XHDPSFHLSA-N 1 1 228.339 3.713 10 0 BHAEMO CC[C@H]1CC[C@@H](c2c[nH]c3ccccc23)[N@H+]1C ZINC000005651513 342767745 /nfs/dbraw/zinc/76/77/45/342767745.db2.gz SCSHLMQESUQPEU-NHYWBVRUSA-N 1 1 228.339 3.713 10 0 BHAEMO CCCCCC[N@@H+]1C[C@H]2c3ccccc3C[C@@H]2C1 ZINC000005711753 168663800 /nfs/dbraw/zinc/66/38/00/168663800.db2.gz YJMONBZZJMVZJJ-NVXWUHKLSA-N 1 1 243.394 3.838 10 0 BHAEMO CC(C)[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccccc1 ZINC000005920748 188102777 /nfs/dbraw/zinc/10/27/77/188102777.db2.gz CPRJYJTWXVUHFD-GOEBONIOSA-N 1 1 231.383 3.943 10 0 BHAEMO c1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000006116281 398281038 /nfs/dbraw/zinc/28/10/38/398281038.db2.gz KJHWRRVSXANANB-ZWKOTPCHSA-N 1 1 249.357 3.969 10 0 BHAEMO CCC[N@H+]1CCC[C@@H](c2cccc(SC)c2)C1 ZINC000006380241 169194867 /nfs/dbraw/zinc/19/48/67/169194867.db2.gz DQQBAKJEWKQXPD-CQSZACIVSA-N 1 1 249.423 3.998 10 0 BHAEMO C[C@@H](c1[nH]cc[nH+]1)c1cccc2ccccc21 ZINC000013450510 176039376 /nfs/dbraw/zinc/03/93/76/176039376.db2.gz WCIDBLYFACGZGW-LLVKDONJSA-N 1 1 222.291 3.715 10 0 BHAEMO C[C@H](c1[nH]cc[nH+]1)c1cccc2ccccc21 ZINC000013450514 177053717 /nfs/dbraw/zinc/05/37/17/177053717.db2.gz WCIDBLYFACGZGW-NSHDSACASA-N 1 1 222.291 3.715 10 0 BHAEMO C[C@H](c1[nH]cc[nH+]1)c1ccc2ccccc2c1 ZINC000013450526 176016359 /nfs/dbraw/zinc/01/63/59/176016359.db2.gz WVDIRTLHBANRPM-NSHDSACASA-N 1 1 222.291 3.715 10 0 BHAEMO C[C@@H](c1[nH]cc[nH+]1)c1ccc2ccccc2c1 ZINC000013450530 177035151 /nfs/dbraw/zinc/03/51/51/177035151.db2.gz WVDIRTLHBANRPM-LLVKDONJSA-N 1 1 222.291 3.715 10 0 BHAEMO CCCC[N@H+]1CCC2=C(CCc3ccccc32)C1 ZINC000013455418 384844474 /nfs/dbraw/zinc/84/44/74/384844474.db2.gz VXQVYBORCSUFDN-UHFFFAOYSA-N 1 1 241.378 3.892 10 0 BHAEMO CCCC[N@H+]1CC[C@H]2c3ccccc3CC[C@H]2C1 ZINC000013455427 384845272 /nfs/dbraw/zinc/84/52/72/384845272.db2.gz HHEIQDXGHHAKRI-DOTOQJQBSA-N 1 1 243.394 3.838 10 0 BHAEMO CCCC[N@H+]1CCC2=C(Cc3ccccc32)C1 ZINC000013455461 384844718 /nfs/dbraw/zinc/84/47/18/384844718.db2.gz ZTAAYZUUCPOIBW-UHFFFAOYSA-N 1 1 227.351 3.502 10 0 BHAEMO CCC[N@H+]1CCC[C@@H](c2cccc(C)c2)C1 ZINC000013492908 169194338 /nfs/dbraw/zinc/19/43/38/169194338.db2.gz MMNXTTQJJITNJJ-OAHLLOKOSA-N 1 1 217.356 3.584 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@H](c2cccc(C)c2)C1 ZINC000013492909 169198396 /nfs/dbraw/zinc/19/83/96/169198396.db2.gz MMNXTTQJJITNJJ-HNNXBMFYSA-N 1 1 217.356 3.584 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@@H](c2ccc(C)c(C)c2)C1 ZINC000013492922 169194616 /nfs/dbraw/zinc/19/46/16/169194616.db2.gz WKCUEEXFTZSNLI-MRXNPFEDSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO Cc1ccc2c(c1)-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000013589985 343095855 /nfs/dbraw/zinc/09/58/55/343095855.db2.gz VUYKJMZDCAQKIO-QGZVFWFLSA-N 1 1 249.357 3.747 10 0 BHAEMO C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000013605847 343096666 /nfs/dbraw/zinc/09/66/66/343096666.db2.gz WPAFSNKIOIISOR-UHFFFAOYSA-N 1 1 223.319 3.559 10 0 BHAEMO C[N@@H+]1CC=C(c2ccc3ccccc3c2)CC1 ZINC000013605849 343096663 /nfs/dbraw/zinc/09/66/63/343096663.db2.gz LUPUKFNDUMPRQX-UHFFFAOYSA-N 1 1 223.319 3.559 10 0 BHAEMO c1ccc(C2=CC[N@@H+](C3CCCC3)CC2)cc1 ZINC000013729350 343102446 /nfs/dbraw/zinc/10/24/46/343102446.db2.gz AYPGLHVOVADYLO-UHFFFAOYSA-N 1 1 227.351 3.718 10 0 BHAEMO CCC[N@@H+](C)CCCCCc1ccccc1 ZINC000013736072 169075328 /nfs/dbraw/zinc/07/53/28/169075328.db2.gz UKCLXTUJNBOJII-UHFFFAOYSA-N 1 1 219.372 3.741 10 0 BHAEMO C[N@H+]1[C@H](c2ccccc2)CC[C@H]1c1cccnc1 ZINC000013738872 173204889 /nfs/dbraw/zinc/20/48/89/173204889.db2.gz SXNWJPFRPOBTBC-HOTGVXAUSA-N 1 1 238.334 3.590 10 0 BHAEMO C[N@H+]1[C@@H](c2ccccc2)CC[C@H]1c1cccnc1 ZINC000013738873 173205292 /nfs/dbraw/zinc/20/52/92/173205292.db2.gz SXNWJPFRPOBTBC-CVEARBPZSA-N 1 1 238.334 3.590 10 0 BHAEMO CCC[N@H+]1CCC[C@@H](c2cccc(C)c2C)C1 ZINC000013782149 169194877 /nfs/dbraw/zinc/19/48/77/169194877.db2.gz AORDKZRSVBDZJZ-OAHLLOKOSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@H](c2cccc(C)c2C)C1 ZINC000013782150 169197943 /nfs/dbraw/zinc/19/79/43/169197943.db2.gz AORDKZRSVBDZJZ-HNNXBMFYSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@@H](c2ccc(C)cc2C)C1 ZINC000013782151 169195725 /nfs/dbraw/zinc/19/57/25/169195725.db2.gz XMWBOCKXCDCQOT-OAHLLOKOSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@H](c2ccc(C)cc2C)C1 ZINC000013782152 169197858 /nfs/dbraw/zinc/19/78/58/169197858.db2.gz XMWBOCKXCDCQOT-HNNXBMFYSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@@H](c2cc(C)ccc2C)C1 ZINC000013782153 169194126 /nfs/dbraw/zinc/19/41/26/169194126.db2.gz SSDVDUAQCIGPNR-OAHLLOKOSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@H](c2cc(C)ccc2C)C1 ZINC000013782154 169199066 /nfs/dbraw/zinc/19/90/66/169199066.db2.gz SSDVDUAQCIGPNR-HNNXBMFYSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@@H](c2c(C)cccc2C)C1 ZINC000013782155 169195484 /nfs/dbraw/zinc/19/54/84/169195484.db2.gz HBTLGWNZDLWXQJ-OAHLLOKOSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@H](c2c(C)cccc2C)C1 ZINC000013782156 169197968 /nfs/dbraw/zinc/19/79/68/169197968.db2.gz HBTLGWNZDLWXQJ-HNNXBMFYSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000013782157 169195216 /nfs/dbraw/zinc/19/52/16/169195216.db2.gz AMPXVBOIQBSQML-OAHLLOKOSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCC[N@H+]1CCC[C@H](c2cc(C)cc(C)c2)C1 ZINC000013782158 169199093 /nfs/dbraw/zinc/19/90/93/169199093.db2.gz AMPXVBOIQBSQML-HNNXBMFYSA-N 1 1 231.383 3.893 10 0 in-vivo BHAEMO CCc1cccc(CC)c1NC1=[NH+]CCCS1 ZINC000013858466 188106499 /nfs/dbraw/zinc/10/64/99/188106499.db2.gz YOCFYHIDHMZGFH-UHFFFAOYSA-N 1 1 248.395 3.716 10 0 BHAEMO C[C@H]1C[N@@H+](C)CCc2ccc(Cl)c(Cl)c21 ZINC000013978824 177233716 /nfs/dbraw/zinc/23/37/16/177233716.db2.gz APEKSNHUILZZDC-QMMMGPOBSA-N 1 1 244.165 3.585 10 0 BHAEMO C[C@@H]1CC[C@@H]2[C@@H](C)CC[C@@H](c3ccoc3)[N@H+]2C1 ZINC000014962627 384540374 /nfs/dbraw/zinc/54/03/74/384540374.db2.gz VACYOTYBTLYIEB-OSRDXIQISA-N 1 1 233.355 3.851 10 0 BHAEMO CC(C)C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C ZINC000015062744 342891294 /nfs/dbraw/zinc/89/12/94/342891294.db2.gz JCZATRJEGXWCBH-HNNXBMFYSA-N 1 1 242.366 3.743 10 0 BHAEMO CC(C)C[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C ZINC000015062745 342891446 /nfs/dbraw/zinc/89/14/46/342891446.db2.gz JCZATRJEGXWCBH-OAHLLOKOSA-N 1 1 242.366 3.743 10 0 BHAEMO CCCC[N@@H+](CC)Cc1ccc(Cl)c(N)c1 ZINC000020073015 168799011 /nfs/dbraw/zinc/79/90/11/168799011.db2.gz XKJCNIZFLFIELE-UHFFFAOYSA-N 1 1 240.778 3.544 10 0 BHAEMO CC[N@@H+](Cc1ccc(C)c(N)c1)C1CCCCC1 ZINC000020073362 169905421 /nfs/dbraw/zinc/90/54/21/169905421.db2.gz STIVZWZMBIROME-UHFFFAOYSA-N 1 1 246.398 3.732 10 0 BHAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccccc1F ZINC000020369145 181630337 /nfs/dbraw/zinc/63/03/37/181630337.db2.gz DCDGBQVUBMELHW-HNNXBMFYSA-N 1 1 241.265 3.620 10 0 BHAEMO CCCCCC[N@H+]1CCCc2cc(N)ccc21 ZINC000020519819 132331840 /nfs/dbraw/zinc/33/18/40/132331840.db2.gz KZCJATYXASLHGW-UHFFFAOYSA-N 1 1 232.371 3.602 10 0 BHAEMO CCCCCC[N@@H+]1CCCc2cc(N)ccc21 ZINC000020519819 132331839 /nfs/dbraw/zinc/33/18/39/132331839.db2.gz KZCJATYXASLHGW-UHFFFAOYSA-N 1 1 232.371 3.602 10 0 BHAEMO CN(C)C1(C[NH3+])CCCCCCCCCCC1 ZINC000020559268 172401256 /nfs/dbraw/zinc/40/12/56/172401256.db2.gz RLEBZFNCXDVFNX-UHFFFAOYSA-N 1 1 240.435 3.550 10 0 BHAEMO CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000021508163 169295563 /nfs/dbraw/zinc/29/55/63/169295563.db2.gz MDGLBILIYIVOHI-UHFFFAOYSA-N 1 1 220.703 3.710 10 0 BHAEMO CCC[N@@H+]1CC=C(c2cccc(SC)c2)CC1 ZINC000022063694 169185386 /nfs/dbraw/zinc/18/53/86/169185386.db2.gz AUEVPUKHNGEVFZ-UHFFFAOYSA-N 1 1 247.407 3.908 10 0 in-vitro BHAEMO CC(C)CC[N@H+]1CCC[C@@H](c2cccc(O)c2)C1 ZINC000025982282 384509515 /nfs/dbraw/zinc/50/95/15/384509515.db2.gz LCOOQHLLCYOFMH-OAHLLOKOSA-N 1 1 247.382 3.618 10 0 BHAEMO CC(C)CC[N@H+]1CCC[C@H](c2cccc(O)c2)C1 ZINC000025982289 384509175 /nfs/dbraw/zinc/50/91/75/384509175.db2.gz LCOOQHLLCYOFMH-HNNXBMFYSA-N 1 1 247.382 3.618 10 0 BHAEMO CCC[N@H+]1CCC2=C(CCc3ccccc32)C1 ZINC000026170906 169192026 /nfs/dbraw/zinc/19/20/26/169192026.db2.gz QOZUIXJYJLLMJF-UHFFFAOYSA-N 1 1 227.351 3.502 10 0 BHAEMO Cc1ccc2[nH+]c(Nc3ccccc3)[nH]c2c1 ZINC000026474241 353797429 /nfs/dbraw/zinc/79/74/29/353797429.db2.gz ZWFHVYLMPFPMKA-UHFFFAOYSA-N 1 1 223.279 3.615 10 0 BHAEMO Cc1ccc2[nH+]c(Nc3ccccc3C)[nH]c2c1 ZINC000026474249 357144506 /nfs/dbraw/zinc/14/45/06/357144506.db2.gz DDHUOADHCNAVMM-UHFFFAOYSA-N 1 1 237.306 3.923 10 0 BHAEMO Cc1ccc(Nc2[nH]c3cc(C)ccc3[nH+]2)cc1 ZINC000026474268 357145052 /nfs/dbraw/zinc/14/50/52/357145052.db2.gz JDCXPRVWBPDZRZ-UHFFFAOYSA-N 1 1 237.306 3.923 10 0 BHAEMO Cc1ccc(-c2c[nH+]c3n2CCCCC3)cc1C ZINC000026510114 178329450 /nfs/dbraw/zinc/32/94/50/178329450.db2.gz CQSXLWAFBZDWTJ-UHFFFAOYSA-N 1 1 240.350 3.893 10 0 BHAEMO c1ccc([C@H]2C[N@@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000026666332 384744341 /nfs/dbraw/zinc/74/43/41/384744341.db2.gz KJHWRRVSXANANB-QZTJIDSGSA-N 1 1 249.357 3.969 10 0 BHAEMO Cc1ccccc1[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000026718261 179349005 /nfs/dbraw/zinc/34/90/05/179349005.db2.gz LQFDQTUPEHQXJH-UKRRQHHQSA-N 1 1 215.340 3.684 10 0 BHAEMO Fc1ccc([C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC000026725988 343108376 /nfs/dbraw/zinc/10/83/76/343108376.db2.gz PDMCTWSKGUWUCZ-ZIAGYGMSSA-N 1 1 219.303 3.515 10 0 BHAEMO c1ccc([C@H]2CCC[C@H]3CCCC[N@@H+]32)cc1 ZINC000026726810 183432663 /nfs/dbraw/zinc/43/26/63/183432663.db2.gz YEZPZIBMUGYTEZ-HUUCEWRRSA-N 1 1 215.340 3.766 10 0 BHAEMO C1C[C@H](C2CCCCC2)[N@H+]2CCCC[C@H]12 ZINC000026727243 343108300 /nfs/dbraw/zinc/10/83/00/343108300.db2.gz DLAKEKPGYVCCMO-ZIAGYGMSSA-N 1 1 207.361 3.584 10 0 BHAEMO CCOc1ccccc1[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000026727988 170600106 /nfs/dbraw/zinc/60/01/06/170600106.db2.gz LWZQHZRPZIEDCI-UKRRQHHQSA-N 1 1 245.366 3.775 10 0 BHAEMO Fc1cccc(F)c1[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000026729056 344183066 /nfs/dbraw/zinc/18/30/66/344183066.db2.gz QGJOTNTVUVNRQN-ZWNOBZJWSA-N 1 1 237.293 3.654 10 0 BHAEMO C[N@@H+]1CC=C(CCc2cccc(Cl)c2)CC1 ZINC000026839470 188283051 /nfs/dbraw/zinc/28/30/51/188283051.db2.gz ZDKXXSVUVFEDNA-UHFFFAOYSA-N 1 1 235.758 3.535 10 0 BHAEMO CC[N@H+]1CCCCC12C1CC3CC(C1)CC2C3 ZINC000026983841 344209455 /nfs/dbraw/zinc/20/94/55/344209455.db2.gz VGSYBTZEVZRMRB-UHFFFAOYSA-N 1 1 233.399 3.687 10 0 BHAEMO CC[N@H+]1CCC[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000026995433 344209291 /nfs/dbraw/zinc/20/92/91/344209291.db2.gz ZOZSPXRFPOGNPG-IBHBGHMQSA-N 1 1 233.399 3.687 10 0 BHAEMO CC[N@H+]1CCC[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000026995439 344209369 /nfs/dbraw/zinc/20/93/69/344209369.db2.gz ZOZSPXRFPOGNPG-DQGBIZLVSA-N 1 1 233.399 3.687 10 0 BHAEMO c1ccc([C@H]2C[N@@H+]3CCC[C@H]3c3ccccc32)cc1 ZINC000027323007 383923785 /nfs/dbraw/zinc/92/37/85/383923785.db2.gz KJHWRRVSXANANB-MSOLQXFVSA-N 1 1 249.357 3.969 10 0 BHAEMO CC[N@H+]1CCc2c(Cl)ccc3c2[C@@H](CCC3)C1 ZINC000027716767 170024732 /nfs/dbraw/zinc/02/47/32/170024732.db2.gz LSNZMJWFCKUFCO-LBPRGKRZSA-N 1 1 249.785 3.638 10 0 BHAEMO CC[N@H+]1CCc2c(Cl)ccc3c2[C@H](CCC3)C1 ZINC000027716772 170024203 /nfs/dbraw/zinc/02/42/03/170024203.db2.gz LSNZMJWFCKUFCO-GFCCVEGCSA-N 1 1 249.785 3.638 10 0 BHAEMO c1ccc2c(c1)sc1c2CC[N@@H+]2CCCC[C@@H]12 ZINC000027724288 384176185 /nfs/dbraw/zinc/17/61/85/384176185.db2.gz IIJWWDRFLXTECC-ZDUSSCGKSA-N 1 1 243.375 3.984 10 0 BHAEMO c1ccc2c(c1)sc1c2CC[N@@H+]2CCCC[C@H]12 ZINC000027724295 384176430 /nfs/dbraw/zinc/17/64/30/384176430.db2.gz IIJWWDRFLXTECC-CYBMUJFWSA-N 1 1 243.375 3.984 10 0 BHAEMO c1ccc2c(c1)oc1c2CC[N@@H+]2CCCC[C@@H]12 ZINC000027732376 384176711 /nfs/dbraw/zinc/17/67/11/384176711.db2.gz WVLAAGBGTBJXIQ-ZDUSSCGKSA-N 1 1 227.307 3.516 10 0 BHAEMO c1ccc2c(c1)oc1c2CC[N@H+]2CCCC[C@@H]12 ZINC000027732376 384176708 /nfs/dbraw/zinc/17/67/08/384176708.db2.gz WVLAAGBGTBJXIQ-ZDUSSCGKSA-N 1 1 227.307 3.516 10 0 BHAEMO c1ccc2c(c1)oc1c2CC[N@@H+]2CCCC[C@H]12 ZINC000027732383 384175724 /nfs/dbraw/zinc/17/57/24/384175724.db2.gz WVLAAGBGTBJXIQ-CYBMUJFWSA-N 1 1 227.307 3.516 10 0 BHAEMO c1ccc2c(c1)oc1c2CC[N@H+]2CCCC[C@H]12 ZINC000027732383 384175718 /nfs/dbraw/zinc/17/57/18/384175718.db2.gz WVLAAGBGTBJXIQ-CYBMUJFWSA-N 1 1 227.307 3.516 10 0 BHAEMO CCCCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000027991121 169027130 /nfs/dbraw/zinc/02/71/30/169027130.db2.gz JIQLFCSJXKTQKP-UHFFFAOYSA-N 1 1 202.301 3.522 10 0 BHAEMO C[C@@H]1Cc2cccc(-c3ccccc3)c2C[N@H+]1C ZINC000028101843 384932949 /nfs/dbraw/zinc/93/29/49/384932949.db2.gz BJNIQAHXSHOGCL-CYBMUJFWSA-N 1 1 237.346 3.730 10 0 BHAEMO C[C@H]1Cc2cccc(-c3ccccc3)c2C[N@H+]1C ZINC000028101849 177389986 /nfs/dbraw/zinc/38/99/86/177389986.db2.gz BJNIQAHXSHOGCL-ZDUSSCGKSA-N 1 1 237.346 3.730 10 0 BHAEMO C/C=C/C[N@@H+](C)Cc1cccc2ccccc21 ZINC000028248473 188283838 /nfs/dbraw/zinc/28/38/38/188283838.db2.gz UUJUDDDAMMVOSB-ONEGZZNKSA-N 1 1 225.335 3.848 10 0 BHAEMO CC[N@H+]1CCCC[C@@H]1[C@H](C)c1ccccc1 ZINC000028645419 169959863 /nfs/dbraw/zinc/95/98/63/169959863.db2.gz NLXMVFLZBJPVAD-UKRRQHHQSA-N 1 1 217.356 3.665 10 0 BHAEMO C[C@H]1C[C@H](c2ccccc2)[C@H]2CCCC[N@H+]2C1 ZINC000028645464 177375183 /nfs/dbraw/zinc/37/51/83/177375183.db2.gz KVDDHSOWSOEYMM-NUEKZKHPSA-N 1 1 229.367 3.665 10 0 BHAEMO C[C@@H]1C[C@H](c2ccccc2)[C@H]2CCCC[N@H+]2C1 ZINC000028645468 384474935 /nfs/dbraw/zinc/47/49/35/384474935.db2.gz KVDDHSOWSOEYMM-FVQBIDKESA-N 1 1 229.367 3.665 10 0 BHAEMO CCCC[N@H+]1CCC[C@H](c2cccc(OC)c2)C1 ZINC000029242369 385082811 /nfs/dbraw/zinc/08/28/11/385082811.db2.gz NTZQJXOKNWIOLU-HNNXBMFYSA-N 1 1 247.382 3.675 10 0 BHAEMO CC(C)c1ccccc1C1=CC[N@@H+](C)CC1 ZINC000029570384 344673640 /nfs/dbraw/zinc/67/36/40/344673640.db2.gz WJEKADBRHKTJEU-UHFFFAOYSA-N 1 1 215.340 3.529 10 0 BHAEMO Clc1ccc([C@@H]2[NH2+]CCCS2)cc1Cl ZINC000033876554 343262222 /nfs/dbraw/zinc/26/22/22/343262222.db2.gz BIBNZWBSIFDROT-SNVBAGLBSA-N 1 1 248.178 3.719 10 0 BHAEMO Clc1ccc([C@H]2[NH2+]CCCS2)cc1Cl ZINC000033876556 343261905 /nfs/dbraw/zinc/26/19/05/343261905.db2.gz BIBNZWBSIFDROT-JTQLQIEISA-N 1 1 248.178 3.719 10 0 BHAEMO CCC[N@H+]1CCC[C@H](c2cccc3[nH]ccc32)C1 ZINC000033885386 169198004 /nfs/dbraw/zinc/19/80/04/169198004.db2.gz MIDRVKMKPGATBE-ZDUSSCGKSA-N 1 1 242.366 3.757 10 0 BHAEMO CCC[N@H+]1CCC[C@@H](c2cccc3[nH]ccc32)C1 ZINC000033885387 169195531 /nfs/dbraw/zinc/19/55/31/169195531.db2.gz MIDRVKMKPGATBE-CYBMUJFWSA-N 1 1 242.366 3.757 10 0 BHAEMO Clc1ccc(Nc2c[nH+]c3ccccn23)cc1 ZINC000034485700 343272309 /nfs/dbraw/zinc/27/23/09/343272309.db2.gz VKDCGXYIJYSLKG-UHFFFAOYSA-N 1 1 243.697 3.731 10 0 BHAEMO C[C@@H]1C(c2ccc3cc(F)ccc3c2)=CC[N@@H+]1C ZINC000034511297 176047426 /nfs/dbraw/zinc/04/74/26/176047426.db2.gz XKUXGLVIYXGMNK-LLVKDONJSA-N 1 1 241.309 3.696 10 0 BHAEMO C[C@@H]1C2c3ccccc3C[NH+]1Cc1ccccc12 ZINC000034591868 345834436 /nfs/dbraw/zinc/83/44/36/345834436.db2.gz NMHUDUPMWLSITQ-GFCCVEGCSA-N 1 1 235.330 3.536 10 0 BHAEMO Fc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1F ZINC000034603773 347230137 /nfs/dbraw/zinc/23/01/37/347230137.db2.gz WSZXVQQZOGCKDD-UHFFFAOYSA-N 1 1 245.232 3.585 10 0 BHAEMO Cc1cc(Nc2[nH]c3ccccc3[nH+]2)ccc1F ZINC000034603776 178194139 /nfs/dbraw/zinc/19/41/39/178194139.db2.gz LLXCHOGIKFCMMS-UHFFFAOYSA-N 1 1 241.269 3.754 10 0 BHAEMO CCOC(=[NH2+])c1ccc(-c2ccccc2)cc1 ZINC000034618130 170180280 /nfs/dbraw/zinc/18/02/80/170180280.db2.gz PZFGERBCUVTZNE-UHFFFAOYSA-N 1 1 225.291 3.715 10 0 BHAEMO CC(C)C[C@@H]([NH3+])c1nc2cc(Cl)ccc2o1 ZINC000034939396 351355580 /nfs/dbraw/zinc/35/55/80/351355580.db2.gz OTTKINMOUVUXSI-SECBINFHSA-N 1 1 238.718 3.527 10 0 BHAEMO Cc1c2ccccc2oc1[C@H]([NH3+])c1cccs1 ZINC000034972300 351370732 /nfs/dbraw/zinc/37/07/32/351370732.db2.gz ZUPGIKOCOLSVCG-CYBMUJFWSA-N 1 1 243.331 3.851 10 0 BHAEMO Cc1c2ccccc2oc1[C@@H]([NH3+])c1cccs1 ZINC000034972302 351370905 /nfs/dbraw/zinc/37/09/05/351370905.db2.gz ZUPGIKOCOLSVCG-ZDUSSCGKSA-N 1 1 243.331 3.851 10 0 BHAEMO Cc1cc(N)ccc1[NH2+][C@@H]1CCCC[C@@H]1C ZINC000034978359 178107596 /nfs/dbraw/zinc/10/75/96/178107596.db2.gz RDJQDRIIZVEHCI-GXFFZTMASA-N 1 1 218.344 3.568 10 0 BHAEMO Cc1cc(N)ccc1[NH2+][C@H]1CCCC[C@@H]1C ZINC000034978361 178107016 /nfs/dbraw/zinc/10/70/16/178107016.db2.gz RDJQDRIIZVEHCI-GWCFXTLKSA-N 1 1 218.344 3.568 10 0 BHAEMO Cc1cc(N)ccc1[NH2+][C@@H]1CCCC[C@H]1C ZINC000034978363 178107276 /nfs/dbraw/zinc/10/72/76/178107276.db2.gz RDJQDRIIZVEHCI-ZWNOBZJWSA-N 1 1 218.344 3.568 10 0 BHAEMO Cc1cc(N)ccc1[NH2+][C@H]1CCCC[C@H]1C ZINC000034978365 178107573 /nfs/dbraw/zinc/10/75/73/178107573.db2.gz RDJQDRIIZVEHCI-MFKMUULPSA-N 1 1 218.344 3.568 10 0 BHAEMO CCC[N@@H+](Cc1cccc(N)c1)C1CCCCC1 ZINC000035064621 169175834 /nfs/dbraw/zinc/17/58/34/169175834.db2.gz NBDKSXPKJXZYAG-UHFFFAOYSA-N 1 1 246.398 3.814 10 0 BHAEMO Cc1cccc(Nc2ccc(N)c3c[nH+]ccc23)c1 ZINC000035332832 179158857 /nfs/dbraw/zinc/15/88/57/179158857.db2.gz AJKKKEDDFGYISE-UHFFFAOYSA-N 1 1 249.317 3.869 10 0 BHAEMO Cc1ccccc1Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332842 179308194 /nfs/dbraw/zinc/30/81/94/179308194.db2.gz FUOULJOWUJSWQG-UHFFFAOYSA-N 1 1 249.317 3.869 10 0 BHAEMO CC[C@H](C)Sc1ccc(N)c2c[nH+]ccc12 ZINC000035333332 171357235 /nfs/dbraw/zinc/35/72/35/171357235.db2.gz JZUFFLMNCYRWFU-VIFPVBQESA-N 1 1 232.352 3.708 10 0 BHAEMO CC(C)CSc1ccc(N)c2c[nH+]ccc12 ZINC000035333348 187258499 /nfs/dbraw/zinc/25/84/99/187258499.db2.gz BTCBXUBGSTVLKK-UHFFFAOYSA-N 1 1 232.352 3.565 10 0 BHAEMO [NH3+][C@@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035382454 357211547 /nfs/dbraw/zinc/21/15/47/357211547.db2.gz YGADFZAEPQNFJE-MRVPVSSYSA-N 1 1 248.134 3.696 10 0 BHAEMO [NH3+][C@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035382456 357211436 /nfs/dbraw/zinc/21/14/36/357211436.db2.gz YGADFZAEPQNFJE-QMMMGPOBSA-N 1 1 248.134 3.696 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)o1 ZINC000035738972 383872055 /nfs/dbraw/zinc/87/20/55/383872055.db2.gz HSAWWRAKAIUYLA-WDEREUQCSA-N 1 1 219.284 3.593 10 0 BHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)o1 ZINC000035738973 383872653 /nfs/dbraw/zinc/87/26/53/383872653.db2.gz HSAWWRAKAIUYLA-QWRGUYRKSA-N 1 1 219.284 3.593 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)o1 ZINC000035738974 383874666 /nfs/dbraw/zinc/87/46/66/383874666.db2.gz HSAWWRAKAIUYLA-GHMZBOCLSA-N 1 1 219.284 3.593 10 0 BHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)o1 ZINC000035738975 383872315 /nfs/dbraw/zinc/87/23/15/383872315.db2.gz HSAWWRAKAIUYLA-MNOVXSKESA-N 1 1 219.284 3.593 10 0 BHAEMO c1ccc2c(c1)CC[C@@H]2Nc1[nH]c2ccccc2[nH+]1 ZINC000035785455 398328105 /nfs/dbraw/zinc/32/81/05/398328105.db2.gz HKNYQXBYCKKHDB-ZDUSSCGKSA-N 1 1 249.317 3.662 10 0 BHAEMO c1ccc2c(c1)CC[C@H]2Nc1[nH]c2ccccc2[nH+]1 ZINC000035785458 398328155 /nfs/dbraw/zinc/32/81/55/398328155.db2.gz HKNYQXBYCKKHDB-CYBMUJFWSA-N 1 1 249.317 3.662 10 0 BHAEMO CCC(CC)C[N@@H+](CC)Cc1ccccc1N ZINC000036196543 168350816 /nfs/dbraw/zinc/35/08/16/168350816.db2.gz QAECCWVYTJLDIK-UHFFFAOYSA-N 1 1 234.387 3.527 10 0 BHAEMO CCC(CC)C[N@@H+](CC)Cc1cccc(N)c1C ZINC000036196829 168349784 /nfs/dbraw/zinc/34/97/84/168349784.db2.gz IJRGCDXVHRMTAU-UHFFFAOYSA-N 1 1 248.414 3.835 10 0 BHAEMO Cc1ccc(N)c(Nc2ccc(C)c(Cl)c2)[nH+]1 ZINC000036243019 178704520 /nfs/dbraw/zinc/70/45/20/178704520.db2.gz KTPVBWDEPOUOLI-UHFFFAOYSA-N 1 1 247.729 3.678 10 0 BHAEMO Cc1cc(Nc2ccc(Cl)cc2C)[nH+]cc1N ZINC000036251283 178191808 /nfs/dbraw/zinc/19/18/08/178191808.db2.gz UXKCAHGXGZLQTH-UHFFFAOYSA-N 1 1 247.729 3.678 10 0 BHAEMO Cc1ccc(Cl)cc1Nc1cc(C)c(N)c[nH+]1 ZINC000036251311 178191743 /nfs/dbraw/zinc/19/17/43/178191743.db2.gz HGKJUIFTWWYSQJ-UHFFFAOYSA-N 1 1 247.729 3.678 10 0 BHAEMO Cc1cc(Nc2cccc(Cl)c2C)[nH+]cc1N ZINC000036251313 178194331 /nfs/dbraw/zinc/19/43/31/178194331.db2.gz SIBJBBBFQICSRQ-UHFFFAOYSA-N 1 1 247.729 3.678 10 0 BHAEMO Cc1cc(Nc2ccc(C(C)C)cc2)[nH+]cc1N ZINC000036251348 178192274 /nfs/dbraw/zinc/19/22/74/178192274.db2.gz VJVXHFKFIZMBSH-UHFFFAOYSA-N 1 1 241.338 3.839 10 0 BHAEMO Cc1cc(Nc2ccccc2C(C)C)[nH+]cc1N ZINC000036251381 178194276 /nfs/dbraw/zinc/19/42/76/178194276.db2.gz CYERXFPTUSZYPM-UHFFFAOYSA-N 1 1 241.338 3.839 10 0 BHAEMO Cc1ccc(Nc2cc(C)c(N)c[nH+]2)cc1Cl ZINC000036251383 178192280 /nfs/dbraw/zinc/19/22/80/178192280.db2.gz YJLMGCBHXHHRIV-UHFFFAOYSA-N 1 1 247.729 3.678 10 0 BHAEMO Cc1cc(Cl)ccc1Nc1ccc(N)c(C)[nH+]1 ZINC000036251517 178068690 /nfs/dbraw/zinc/06/86/90/178068690.db2.gz JBRAMAIODOHWAT-UHFFFAOYSA-N 1 1 247.729 3.678 10 0 BHAEMO Cc1ccc(Cl)cc1Nc1ccc(N)c(C)[nH+]1 ZINC000036251595 178664186 /nfs/dbraw/zinc/66/41/86/178664186.db2.gz QJTAUXFGXQKTSO-UHFFFAOYSA-N 1 1 247.729 3.678 10 0 BHAEMO Cc1cc(C)c(Nc2ccc(N)c(C)[nH+]2)c(C)c1 ZINC000036251614 177867040 /nfs/dbraw/zinc/86/70/40/177867040.db2.gz QROSDZAVXRAGFI-UHFFFAOYSA-N 1 1 241.338 3.641 10 0 BHAEMO Cc1[nH+]c(Nc2ccc(C(C)C)cc2)ccc1N ZINC000036251649 187258995 /nfs/dbraw/zinc/25/89/95/187258995.db2.gz WDAKAUNGPHUZQR-UHFFFAOYSA-N 1 1 241.338 3.839 10 0 BHAEMO CCCCCC[C@@](C)(CN)[N@@H+](C)[C@@H](C)C(C)C ZINC000036786925 168677741 /nfs/dbraw/zinc/67/77/41/168677741.db2.gz ZTRJRMOXSVNTSE-GJZGRUSLSA-N 1 1 242.451 3.651 10 0 BHAEMO CC[C@H](C)C[C@](CC)(CN)[N@@H+](C)[C@@H](C)C(C)C ZINC000036786996 171298997 /nfs/dbraw/zinc/29/89/97/171298997.db2.gz OJQZOOZIPCWESQ-SOUVJXGZSA-N 1 1 242.451 3.506 10 0 BHAEMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCCN2 ZINC000036787581 167367646 /nfs/dbraw/zinc/36/76/46/167367646.db2.gz TUGIZNUGIHWMDP-CYBMUJFWSA-N 1 1 246.398 3.521 10 0 BHAEMO CCC(CC)[N@@H+](C)C1(CN)CCCCCCC1 ZINC000036788827 168368017 /nfs/dbraw/zinc/36/80/17/168368017.db2.gz YSKKFDHATAAEML-UHFFFAOYSA-N 1 1 240.435 3.549 10 0 BHAEMO CCC(CC)[N@H+](C)[C@](CC)(CN)C[C@H](C)CC ZINC000036788836 168369246 /nfs/dbraw/zinc/36/92/46/168369246.db2.gz NCDFOCFMSISDSC-HIFRSBDPSA-N 1 1 242.451 3.651 10 0 BHAEMO CCC(CC)[N@H+](C)[C@](CC)(CN)C[C@@H](C)CC ZINC000036788837 168369410 /nfs/dbraw/zinc/36/94/10/168369410.db2.gz NCDFOCFMSISDSC-ZFWWWQNUSA-N 1 1 242.451 3.651 10 0 BHAEMO CCC(CC)[N@H+](C)[C@@](CC)(CN)C[C@H](C)CC ZINC000036788838 168368777 /nfs/dbraw/zinc/36/87/77/168368777.db2.gz NCDFOCFMSISDSC-UKRRQHHQSA-N 1 1 242.451 3.651 10 0 BHAEMO CCC(CC)[N@H+](C)[C@@](CC)(CN)C[C@@H](C)CC ZINC000036788839 168368651 /nfs/dbraw/zinc/36/86/51/168368651.db2.gz NCDFOCFMSISDSC-DZGCQCFKSA-N 1 1 242.451 3.651 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@@H](CC)[C@H](N)c1ccccc1 ZINC000036788926 168368564 /nfs/dbraw/zinc/36/85/64/168368564.db2.gz YLPNYAQNNNCFKO-JKSUJKDBSA-N 1 1 248.414 3.585 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@H](CC)[C@H](N)c1ccccc1 ZINC000036788927 168368573 /nfs/dbraw/zinc/36/85/73/168368573.db2.gz YLPNYAQNNNCFKO-HZPDHXFCSA-N 1 1 248.414 3.585 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@@H](C)[C@H](N)c1ccc(C)cc1 ZINC000036788968 168368585 /nfs/dbraw/zinc/36/85/85/168368585.db2.gz MEQNPJVIYMFVRK-BBRMVZONSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@H](C)[C@H](N)c1ccc(C)cc1 ZINC000036788969 168368963 /nfs/dbraw/zinc/36/89/63/168368963.db2.gz MEQNPJVIYMFVRK-CJNGLKHVSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC(CC)[N@@H+](C)Cc1ccc2c(c1)CCCN2 ZINC000036789311 168368913 /nfs/dbraw/zinc/36/89/13/168368913.db2.gz MOJPXYXCIJMLTD-UHFFFAOYSA-N 1 1 246.398 3.665 10 0 BHAEMO CCC[C@@H](C)[N@@H+](C)C1(CN)CCCCCCC1 ZINC000036790346 169363879 /nfs/dbraw/zinc/36/38/79/169363879.db2.gz QESSWNGSGXIYMS-CQSZACIVSA-N 1 1 240.435 3.549 10 0 BHAEMO CCC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCCN2 ZINC000036790993 169364993 /nfs/dbraw/zinc/36/49/93/169364993.db2.gz ILGINNREPFGPHN-CYBMUJFWSA-N 1 1 246.398 3.665 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000036960320 383920301 /nfs/dbraw/zinc/92/03/01/383920301.db2.gz NCDSDPOIUSBPNP-TXEJJXNPSA-N 1 1 233.311 3.901 10 0 BHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000036960322 383921505 /nfs/dbraw/zinc/92/15/05/383921505.db2.gz NCDSDPOIUSBPNP-RYUDHWBXSA-N 1 1 233.311 3.901 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000036960324 383919507 /nfs/dbraw/zinc/91/95/07/383919507.db2.gz NCDSDPOIUSBPNP-VXGBXAGGSA-N 1 1 233.311 3.901 10 0 BHAEMO CCCN(CC)C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000037094914 169129037 /nfs/dbraw/zinc/12/90/37/169129037.db2.gz VQZXMFLNJDHOKQ-INIZCTEOSA-N 1 1 248.414 3.542 10 0 BHAEMO CCC[N@@H+](CC)C[C@H](N)c1ccc(C(C)C)cc1 ZINC000037094914 169129035 /nfs/dbraw/zinc/12/90/35/169129035.db2.gz VQZXMFLNJDHOKQ-INIZCTEOSA-N 1 1 248.414 3.542 10 0 BHAEMO CCCN(CC)C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000037094915 169125489 /nfs/dbraw/zinc/12/54/89/169125489.db2.gz VQZXMFLNJDHOKQ-MRXNPFEDSA-N 1 1 248.414 3.542 10 0 BHAEMO CCC[N@@H+](CC)C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000037094915 169125487 /nfs/dbraw/zinc/12/54/87/169125487.db2.gz VQZXMFLNJDHOKQ-MRXNPFEDSA-N 1 1 248.414 3.542 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@](CC)(CN)C[C@@H](C)CC ZINC000037095924 169049351 /nfs/dbraw/zinc/04/93/51/169049351.db2.gz RUVHJSVRANZXHH-GJZGRUSLSA-N 1 1 242.451 3.651 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@@](CC)(CN)C[C@@H](C)CC ZINC000037095925 169049395 /nfs/dbraw/zinc/04/93/95/169049395.db2.gz RUVHJSVRANZXHH-LSDHHAIUSA-N 1 1 242.451 3.651 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@@H](C)[C@H](N)c1ccc(C)cc1 ZINC000037096066 169048921 /nfs/dbraw/zinc/04/89/21/169048921.db2.gz BMWBGPHEDWVQOY-HOCLYGCPSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@H](C)[C@H](N)c1ccc(C)cc1 ZINC000037096067 169049543 /nfs/dbraw/zinc/04/95/43/169049543.db2.gz BMWBGPHEDWVQOY-ZBFHGGJFSA-N 1 1 248.414 3.504 10 0 BHAEMO CCCCCC[C@](C)(CN)[N@@H+](C)CCCCC ZINC000037165282 168680698 /nfs/dbraw/zinc/68/06/98/168680698.db2.gz CFUCMDULMNUEJA-OAHLLOKOSA-N 1 1 242.451 3.796 10 0 BHAEMO CCCCCC[C@@](C)(CN)[N@@H+](C)C[C@@H](C)CC ZINC000037172692 168677824 /nfs/dbraw/zinc/67/78/24/168677824.db2.gz XLRAUOJPMAPBLY-GJZGRUSLSA-N 1 1 242.451 3.652 10 0 BHAEMO CC[C@@H](C)C[C@@](CC)(CN)[N@H+](C)C[C@@H](C)CC ZINC000037172750 171274906 /nfs/dbraw/zinc/27/49/06/171274906.db2.gz RVYGLUJHACLOIK-ILXRZTDVSA-N 1 1 242.451 3.508 10 0 BHAEMO CC[C@H](C)C[N@@H+](C)[C@](CC)(CN)C[C@@H](C)CC ZINC000037172751 171274472 /nfs/dbraw/zinc/27/44/72/171274472.db2.gz RVYGLUJHACLOIK-KKUMJFAQSA-N 1 1 242.451 3.508 10 0 BHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@H+](C)C[C@@H](C)CC ZINC000037172752 171275061 /nfs/dbraw/zinc/27/50/61/171275061.db2.gz RVYGLUJHACLOIK-QLFBSQMISA-N 1 1 242.451 3.508 10 0 BHAEMO CC[C@H](C)C[N@@H+](C)[C@@](CC)(CN)C[C@@H](C)CC ZINC000037172753 171273789 /nfs/dbraw/zinc/27/37/89/171273789.db2.gz RVYGLUJHACLOIK-SOUVJXGZSA-N 1 1 242.451 3.508 10 0 BHAEMO CCC[N@@H+](CC(=O)c1cc(C)ccc1C)C(C)C ZINC000037415032 169101393 /nfs/dbraw/zinc/10/13/93/169101393.db2.gz RTWDFRWLMIERNX-UHFFFAOYSA-N 1 1 247.382 3.607 10 0 BHAEMO CCC(CC)[N@@H+](C)CC(=O)c1cc(C)ccc1C ZINC000037415197 168367777 /nfs/dbraw/zinc/36/77/77/168367777.db2.gz PEMZZXKWSXCUFZ-UHFFFAOYSA-N 1 1 247.382 3.607 10 0 BHAEMO CCC[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)ccc1C ZINC000037415211 169364204 /nfs/dbraw/zinc/36/42/04/169364204.db2.gz HYAGFVYIYLLWCW-CQSZACIVSA-N 1 1 247.382 3.607 10 0 BHAEMO Cc1cccc(N[C@@H](C)c2cccs2)[nH+]1 ZINC000037670706 179153891 /nfs/dbraw/zinc/15/38/91/179153891.db2.gz CUULGKDMCURRDX-JTQLQIEISA-N 1 1 218.325 3.625 10 0 BHAEMO Cc1cccc(N[C@H](C)c2cccs2)[nH+]1 ZINC000037670708 179156658 /nfs/dbraw/zinc/15/66/58/179156658.db2.gz CUULGKDMCURRDX-SNVBAGLBSA-N 1 1 218.325 3.625 10 0 BHAEMO Cc1cc(N)ccc1[NH2+]CCCc1ccccc1 ZINC000037719500 178105258 /nfs/dbraw/zinc/10/52/58/178105258.db2.gz HCDQJIJUCCUPCU-UHFFFAOYSA-N 1 1 240.350 3.622 10 0 BHAEMO Cc1cc([NH2+]CCCc2ccccc2)ccc1N ZINC000037719504 178160385 /nfs/dbraw/zinc/16/03/85/178160385.db2.gz PHZUYGQXCYYACF-UHFFFAOYSA-N 1 1 240.350 3.622 10 0 BHAEMO Cc1cc(N)ccc1[NH2+]CCC1CCCCC1 ZINC000037742095 178105935 /nfs/dbraw/zinc/10/59/35/178105935.db2.gz CZTVXOZURRBYCU-UHFFFAOYSA-N 1 1 232.371 3.960 10 0 BHAEMO C[C@H](Nc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000037756959 344578857 /nfs/dbraw/zinc/57/88/57/344578857.db2.gz RAQNUIXPKYKBQQ-VIFPVBQESA-N 1 1 243.335 3.798 10 0 BHAEMO C[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000037756960 344578512 /nfs/dbraw/zinc/57/85/12/344578512.db2.gz RAQNUIXPKYKBQQ-SECBINFHSA-N 1 1 243.335 3.798 10 0 BHAEMO COC(=[NH2+])Cc1c(C)cc(C(C)(C)C)cc1C ZINC000037927964 187261421 /nfs/dbraw/zinc/26/14/21/187261421.db2.gz XKFRHLKCHSAEQG-UHFFFAOYSA-N 1 1 233.355 3.767 10 0 BHAEMO Cc1cc2c(s1)C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC000038157566 178292631 /nfs/dbraw/zinc/29/26/31/178292631.db2.gz GNUBZKDKVVIDIW-CQSZACIVSA-N 1 1 243.375 3.634 10 0 BHAEMO Cc1cc2c(s1)C[N@@H+](C)C[C@H]2c1ccccc1 ZINC000038157567 178293577 /nfs/dbraw/zinc/29/35/77/178293577.db2.gz GNUBZKDKVVIDIW-AWEZNQCLSA-N 1 1 243.375 3.634 10 0 BHAEMO Oc1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC000038221821 347160254 /nfs/dbraw/zinc/16/02/54/347160254.db2.gz SQGGKXXNTPWRPH-UHFFFAOYSA-N 1 1 236.274 3.684 10 0 BHAEMO CCCCc1[nH+]ccn1Cc1ccccc1Cl ZINC000038676513 347163957 /nfs/dbraw/zinc/16/39/57/347163957.db2.gz QDIAKNVAAGSOEB-UHFFFAOYSA-N 1 1 248.757 3.927 10 0 BHAEMO CCCc1cc(C)[nH+]c(CC)c1CCC ZINC000038812417 343379376 /nfs/dbraw/zinc/37/93/76/343379376.db2.gz VXVBDGAOTLGTTF-UHFFFAOYSA-N 1 1 205.345 3.857 10 0 BHAEMO CC[N@H+]1CC=C(c2c(C)cccc2C)[C@H](C)C1 ZINC000039102826 343384513 /nfs/dbraw/zinc/38/45/13/343384513.db2.gz SZDBASGFRQFYEL-CQSZACIVSA-N 1 1 229.367 3.658 10 0 BHAEMO CC[N@H+]1CC=C(c2c(C)cccc2C)[C@@H](C)C1 ZINC000039102827 343384534 /nfs/dbraw/zinc/38/45/34/343384534.db2.gz SZDBASGFRQFYEL-AWEZNQCLSA-N 1 1 229.367 3.658 10 0 BHAEMO CCSC1=CC(C)(C)[N@@H+](C)C(C)(C)C1 ZINC000039109360 343385014 /nfs/dbraw/zinc/38/50/14/343385014.db2.gz CVYFGOPLSPXIEM-UHFFFAOYSA-N 1 1 213.390 3.516 10 0 BHAEMO c1cc([NH+]2CCCCC2)ccc1N1CCCCC1 ZINC000039151426 132346604 /nfs/dbraw/zinc/34/66/04/132346604.db2.gz UWUDSNLALSQANA-UHFFFAOYSA-N 1 1 244.382 3.667 10 0 BHAEMO CCOC(=[NH2+])Cc1ccc(C(C)(C)C)cc1 ZINC000039186618 368328687 /nfs/dbraw/zinc/32/86/87/368328687.db2.gz KYEDBAHSCZSTFX-UHFFFAOYSA-N 1 1 219.328 3.540 10 0 BHAEMO CCCCCCNc1[nH]c2ccccc2[nH+]1 ZINC000041600060 343422213 /nfs/dbraw/zinc/42/22/13/343422213.db2.gz KDABMIRFDCJRFL-UHFFFAOYSA-N 1 1 217.316 3.555 10 0 BHAEMO CCC[N@H+](Cc1ccccc1N)CC1CCCC1 ZINC000042011374 169177847 /nfs/dbraw/zinc/17/78/47/169177847.db2.gz DAAONFWOZQQODN-UHFFFAOYSA-N 1 1 246.398 3.671 10 0 BHAEMO Cc1cc(N[C@H](C)c2ccccc2C)nc(C)[nH+]1 ZINC000042238130 178187829 /nfs/dbraw/zinc/18/78/29/178187829.db2.gz FAQRJFZKRFILFH-GFCCVEGCSA-N 1 1 241.338 3.575 10 0 BHAEMO Cc1cc(N[C@@H](C)c2ccccc2C)nc(C)[nH+]1 ZINC000042238131 178178561 /nfs/dbraw/zinc/17/85/61/178178561.db2.gz FAQRJFZKRFILFH-LBPRGKRZSA-N 1 1 241.338 3.575 10 0 BHAEMO CC1CCC([N@@H+](C)CCNc2ccccc2)CC1 ZINC000042488233 168158646 /nfs/dbraw/zinc/15/86/46/168158646.db2.gz LPBRJLYFZXTKJE-UHFFFAOYSA-N 1 1 246.398 3.609 10 0 BHAEMO CCCCC[N@@H+](C[C@@H](N)c1ccccc1)C(C)C ZINC000042551757 168692825 /nfs/dbraw/zinc/69/28/25/168692825.db2.gz VMNPGZBSPFZAIZ-MRXNPFEDSA-N 1 1 248.414 3.587 10 0 BHAEMO CC[C@H]1CCCC[C@H]1[NH2+]c1ccc(N)cc1C ZINC000042577626 171612939 /nfs/dbraw/zinc/61/29/39/171612939.db2.gz SWKWQTQABSXCEC-SWLSCSKDSA-N 1 1 232.371 3.958 10 0 BHAEMO Cc1ccc(C(=O)C[N@H+](C)[C@@H](C)CC(C)C)cc1 ZINC000042586583 187266413 /nfs/dbraw/zinc/26/64/13/187266413.db2.gz NNQKIQXYXDIFOY-AWEZNQCLSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1ccc(C(=O)C[N@H+](C)[C@H](C)CC(C)C)cc1 ZINC000042586586 188293368 /nfs/dbraw/zinc/29/33/68/188293368.db2.gz NNQKIQXYXDIFOY-CQSZACIVSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1ccccc1C(=O)C[N@H+](C)[C@@H](C)CC(C)C ZINC000042586709 179245351 /nfs/dbraw/zinc/24/53/51/179245351.db2.gz BAYMFZVCJGVLTQ-AWEZNQCLSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1cccc(C(=O)C[N@H+](CC(C)C)C(C)C)c1 ZINC000042587656 179003794 /nfs/dbraw/zinc/00/37/94/179003794.db2.gz VWUVYDFJJXITAB-UHFFFAOYSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1ccccc1C(=O)C[N@H+](CC(C)C)C(C)C ZINC000042587800 179246349 /nfs/dbraw/zinc/24/63/49/179246349.db2.gz PQEWYPRWDLEQIW-UHFFFAOYSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1cc(N[C@H](C)CCCC(C)C)nc(C)[nH+]1 ZINC000042591291 178186326 /nfs/dbraw/zinc/18/63/26/178186326.db2.gz USPLZBVDZZPEQS-LLVKDONJSA-N 1 1 235.375 3.720 10 0 BHAEMO CCCC[N@@H+](Cc1cccc(N)c1C)[C@@H](C)CC ZINC000042600741 168820268 /nfs/dbraw/zinc/82/02/68/168820268.db2.gz WLHZZHQSCSBEGG-ZDUSSCGKSA-N 1 1 248.414 3.978 10 0 BHAEMO C[C@@H](c1ccc(N)cc1)[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000042601782 176015709 /nfs/dbraw/zinc/01/57/09/176015709.db2.gz JEHJACFNWZEXGT-WWGRRREGSA-N 1 1 246.398 3.840 10 0 BHAEMO C[C@@H](c1ccc(N)cc1)[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000042601786 176015244 /nfs/dbraw/zinc/01/52/44/176015244.db2.gz JEHJACFNWZEXGT-DVOMOZLQSA-N 1 1 246.398 3.840 10 0 BHAEMO C[C@@H](c1ccc(N)cc1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042601788 177087082 /nfs/dbraw/zinc/08/70/82/177087082.db2.gz JEHJACFNWZEXGT-HEHGZKQESA-N 1 1 246.398 3.840 10 0 BHAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000042601790 176017949 /nfs/dbraw/zinc/01/79/49/176017949.db2.gz VEISISHRXFGCDH-WWGRRREGSA-N 1 1 246.398 3.840 10 0 BHAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000042601794 176017533 /nfs/dbraw/zinc/01/75/33/176017533.db2.gz VEISISHRXFGCDH-DVOMOZLQSA-N 1 1 246.398 3.840 10 0 BHAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042601796 177087289 /nfs/dbraw/zinc/08/72/89/177087289.db2.gz VEISISHRXFGCDH-HEHGZKQESA-N 1 1 246.398 3.840 10 0 BHAEMO C[C@@H](c1ccc(N)cc1)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042737181 176015825 /nfs/dbraw/zinc/01/58/25/176015825.db2.gz HDMCWHFPTUMYAE-RYUDHWBXSA-N 1 1 234.387 3.696 10 0 BHAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042737187 176018174 /nfs/dbraw/zinc/01/81/74/176018174.db2.gz GZWSTONYPZSFNI-RYUDHWBXSA-N 1 1 234.387 3.696 10 0 BHAEMO C[C@H](C(=O)c1ccccc1)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042739450 176744778 /nfs/dbraw/zinc/74/47/78/176744778.db2.gz BRZPJCRONLZCRU-OLZOCXBDSA-N 1 1 247.382 3.624 10 0 BHAEMO Cc1ccc(C(=O)C[N@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000042773738 188294515 /nfs/dbraw/zinc/29/45/15/188294515.db2.gz QQGKHXKJHBLONF-CYBMUJFWSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1cccc(C(=O)C[N@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000042773982 179004539 /nfs/dbraw/zinc/00/45/39/179004539.db2.gz RNJZRFZWKGUNQL-CYBMUJFWSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1ccccc1C(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042774229 179246378 /nfs/dbraw/zinc/24/63/78/179246378.db2.gz WNNRKXQNXOFYKY-ZDUSSCGKSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1ccccc1C(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000042774233 179246483 /nfs/dbraw/zinc/24/64/83/179246483.db2.gz WNNRKXQNXOFYKY-CYBMUJFWSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1cc(N)ccc1[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042859978 178107034 /nfs/dbraw/zinc/10/70/34/178107034.db2.gz NUUKQIGYNFBRIZ-AAEUAGOBSA-N 1 1 232.371 3.815 10 0 BHAEMO Cc1cc(N)ccc1[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042859980 178106964 /nfs/dbraw/zinc/10/69/64/178106964.db2.gz NUUKQIGYNFBRIZ-WCQYABFASA-N 1 1 232.371 3.815 10 0 BHAEMO Cc1cc(N)ccc1[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042859982 178106718 /nfs/dbraw/zinc/10/67/18/178106718.db2.gz NUUKQIGYNFBRIZ-YPMHNXCESA-N 1 1 232.371 3.815 10 0 BHAEMO Cc1cc(N)ccc1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042859984 178107081 /nfs/dbraw/zinc/10/70/81/178107081.db2.gz NUUKQIGYNFBRIZ-DGCLKSJQSA-N 1 1 232.371 3.815 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908245 169048812 /nfs/dbraw/zinc/04/88/12/169048812.db2.gz YJXPUTOOHOESCZ-GDBMZVCRSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908248 169049868 /nfs/dbraw/zinc/04/98/68/169049868.db2.gz YJXPUTOOHOESCZ-ZBFHGGJFSA-N 1 1 248.414 3.504 10 0 BHAEMO CC[C@H](C)[N@@H+](CC)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908285 171311882 /nfs/dbraw/zinc/31/18/82/171311882.db2.gz QJRGSZMWGPURFF-SQWLQELKSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908494 168368711 /nfs/dbraw/zinc/36/87/11/168368711.db2.gz VIENBOGHKIEBDW-CZUORRHYSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908497 168369468 /nfs/dbraw/zinc/36/94/68/168369468.db2.gz VIENBOGHKIEBDW-CJNGLKHVSA-N 1 1 248.414 3.504 10 0 BHAEMO CCCN(CC)[C@@H](c1ccc(C)cc1)[C@H]([NH3+])CC ZINC000042913690 169131111 /nfs/dbraw/zinc/13/11/11/169131111.db2.gz MQRPIXHXORFKDH-CVEARBPZSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](CC)[C@@H](c1ccc(C)cc1)[C@H](N)CC ZINC000042913690 169131108 /nfs/dbraw/zinc/13/11/08/169131108.db2.gz MQRPIXHXORFKDH-CVEARBPZSA-N 1 1 248.414 3.505 10 0 BHAEMO CCCN(CC)[C@H](c1ccc(C)cc1)[C@H]([NH3+])CC ZINC000042913692 169131981 /nfs/dbraw/zinc/13/19/81/169131981.db2.gz MQRPIXHXORFKDH-HZPDHXFCSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](CC)[C@H](c1ccc(C)cc1)[C@H](N)CC ZINC000042913692 169131978 /nfs/dbraw/zinc/13/19/78/169131978.db2.gz MQRPIXHXORFKDH-HZPDHXFCSA-N 1 1 248.414 3.505 10 0 BHAEMO CCCN(CC)[C@@H](c1cccc(C)c1)[C@H]([NH3+])CC ZINC000042965973 169131712 /nfs/dbraw/zinc/13/17/12/169131712.db2.gz MKFXDVZBUAQPJH-CVEARBPZSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](CC)[C@@H](c1cccc(C)c1)[C@H](N)CC ZINC000042965973 169131706 /nfs/dbraw/zinc/13/17/06/169131706.db2.gz MKFXDVZBUAQPJH-CVEARBPZSA-N 1 1 248.414 3.505 10 0 BHAEMO CCCN(CC)[C@H](c1cccc(C)c1)[C@H]([NH3+])CC ZINC000042965975 169132384 /nfs/dbraw/zinc/13/23/84/169132384.db2.gz MKFXDVZBUAQPJH-HZPDHXFCSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](CC)[C@H](c1cccc(C)c1)[C@H](N)CC ZINC000042965975 169132374 /nfs/dbraw/zinc/13/23/74/169132374.db2.gz MKFXDVZBUAQPJH-HZPDHXFCSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965976 169049984 /nfs/dbraw/zinc/04/99/84/169049984.db2.gz QJEZDEANGRBPLF-GDBMZVCRSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965978 169049786 /nfs/dbraw/zinc/04/97/86/169049786.db2.gz QJEZDEANGRBPLF-ZBFHGGJFSA-N 1 1 248.414 3.504 10 0 BHAEMO CC[C@H](C)[N@@H+](CC)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966028 171311977 /nfs/dbraw/zinc/31/19/77/171311977.db2.gz CWDVJYXUMJXRHX-SQWLQELKSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966310 168369612 /nfs/dbraw/zinc/36/96/12/168369612.db2.gz SHVHVFFVMYZPSO-CZUORRHYSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966312 168368736 /nfs/dbraw/zinc/36/87/36/168368736.db2.gz SHVHVFFVMYZPSO-CJNGLKHVSA-N 1 1 248.414 3.504 10 0 BHAEMO CCCN(CC)[C@@H](c1ccccc1C)[C@H]([NH3+])CC ZINC000043034470 169131880 /nfs/dbraw/zinc/13/18/80/169131880.db2.gz NJFALAMPFXFEMD-CVEARBPZSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](CC)[C@@H](c1ccccc1C)[C@H](N)CC ZINC000043034470 169131876 /nfs/dbraw/zinc/13/18/76/169131876.db2.gz NJFALAMPFXFEMD-CVEARBPZSA-N 1 1 248.414 3.505 10 0 BHAEMO CCCN(CC)[C@H](c1ccccc1C)[C@H]([NH3+])CC ZINC000043034474 169132519 /nfs/dbraw/zinc/13/25/19/169132519.db2.gz NJFALAMPFXFEMD-HZPDHXFCSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](CC)[C@H](c1ccccc1C)[C@H](N)CC ZINC000043034474 169132512 /nfs/dbraw/zinc/13/25/12/169132512.db2.gz NJFALAMPFXFEMD-HZPDHXFCSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034475 169048785 /nfs/dbraw/zinc/04/87/85/169048785.db2.gz MRIULXBQTDTAFC-GDBMZVCRSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC[N@@H+](C(C)C)[C@H](c1ccccc1C)[C@@H](C)N ZINC000043034478 169049147 /nfs/dbraw/zinc/04/91/47/169049147.db2.gz MRIULXBQTDTAFC-ZBFHGGJFSA-N 1 1 248.414 3.504 10 0 BHAEMO CC[C@H](C)[N@@H+](CC)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034569 171312100 /nfs/dbraw/zinc/31/21/00/171312100.db2.gz ILUADIOWCNXEAF-SQWLQELKSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043035078 168369220 /nfs/dbraw/zinc/36/92/20/168369220.db2.gz IWTQBGRVAACWCK-CZUORRHYSA-N 1 1 248.414 3.504 10 0 BHAEMO CCC(CC)[N@@H+](C)[C@H](c1ccccc1C)[C@@H](C)N ZINC000043035081 168369310 /nfs/dbraw/zinc/36/93/10/168369310.db2.gz IWTQBGRVAACWCK-CJNGLKHVSA-N 1 1 248.414 3.504 10 0 BHAEMO CC[NH2+][C@H](c1ccc(C)o1)c1ccccc1Cl ZINC000043610636 170163071 /nfs/dbraw/zinc/16/30/71/170163071.db2.gz APFNSZPDUWGWKM-AWEZNQCLSA-N 1 1 249.741 3.940 10 0 BHAEMO CC[NH2+][C@@H](c1ccc(C)o1)c1ccccc1Cl ZINC000043610637 170147618 /nfs/dbraw/zinc/14/76/18/170147618.db2.gz APFNSZPDUWGWKM-CQSZACIVSA-N 1 1 249.741 3.940 10 0 BHAEMO c1ccc([C@H]2C[C@H]2Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000044677659 183432876 /nfs/dbraw/zinc/43/28/76/183432876.db2.gz RAYNPVIZRSWIGV-IUODEOHRSA-N 1 1 249.317 3.531 10 0 BHAEMO CCC[N@@H+](CCC(C)(C)C)Cc1cccc(N)c1 ZINC000049254955 169139544 /nfs/dbraw/zinc/13/95/44/169139544.db2.gz LEQJQACEIBDTEK-UHFFFAOYSA-N 1 1 248.414 3.917 10 0 BHAEMO CCC[N@@H+](CCC(C)(C)C)Cc1ccccc1N ZINC000049254958 169139506 /nfs/dbraw/zinc/13/95/06/169139506.db2.gz GKHTTXZWQCYNAN-UHFFFAOYSA-N 1 1 248.414 3.917 10 0 BHAEMO CC(C)[N@@H+](CCC(C)(C)C)Cc1cccc(N)c1 ZINC000049254964 188124514 /nfs/dbraw/zinc/12/45/14/188124514.db2.gz LXUHKCXBZUABBX-UHFFFAOYSA-N 1 1 248.414 3.915 10 0 BHAEMO CC(C)[N@@H+](CCC(C)(C)C)Cc1ccccc1N ZINC000049254967 188124684 /nfs/dbraw/zinc/12/46/84/188124684.db2.gz DIWHZQCKANSMAK-UHFFFAOYSA-N 1 1 248.414 3.915 10 0 BHAEMO Cc1cc([C@@H](C)Nc2ccc(N)[nH+]c2)c(C)s1 ZINC000049506130 178234807 /nfs/dbraw/zinc/23/48/07/178234807.db2.gz ZNBLIWFXUXNDJV-SECBINFHSA-N 1 1 247.367 3.515 10 0 BHAEMO Cc1cc([C@H](C)Nc2ccc(N)[nH+]c2)c(C)s1 ZINC000049506132 178259690 /nfs/dbraw/zinc/25/96/90/178259690.db2.gz ZNBLIWFXUXNDJV-VIFPVBQESA-N 1 1 247.367 3.515 10 0 BHAEMO Cc1cc([C@@H](C)Nc2ccc(N)c[nH+]2)c(C)s1 ZINC000049506257 178234849 /nfs/dbraw/zinc/23/48/49/178234849.db2.gz ULPHFTZVSZPKMJ-SECBINFHSA-N 1 1 247.367 3.515 10 0 BHAEMO Cc1cc([C@H](C)Nc2ccc(N)c[nH+]2)c(C)s1 ZINC000049506259 178259185 /nfs/dbraw/zinc/25/91/85/178259185.db2.gz ULPHFTZVSZPKMJ-VIFPVBQESA-N 1 1 247.367 3.515 10 0 BHAEMO Cc1cccc(N[C@@H](C)c2ccc(F)cc2)[nH+]1 ZINC000049509385 179152662 /nfs/dbraw/zinc/15/26/62/179152662.db2.gz RPWRFFCLJZTZHY-NSHDSACASA-N 1 1 230.286 3.702 10 0 BHAEMO Cc1cccc(N[C@H](C)c2ccc(F)cc2)[nH+]1 ZINC000049509387 179156035 /nfs/dbraw/zinc/15/60/35/179156035.db2.gz RPWRFFCLJZTZHY-LLVKDONJSA-N 1 1 230.286 3.702 10 0 BHAEMO Cc1cccc(N[C@H](C)c2ccccc2C)[nH+]1 ZINC000049526256 179156213 /nfs/dbraw/zinc/15/62/13/179156213.db2.gz LYNHYRZYYNDGJL-CYBMUJFWSA-N 1 1 226.323 3.872 10 0 BHAEMO Cc1cccc(N[C@@H](C)c2ccccc2C)[nH+]1 ZINC000049526257 179153125 /nfs/dbraw/zinc/15/31/25/179153125.db2.gz LYNHYRZYYNDGJL-ZDUSSCGKSA-N 1 1 226.323 3.872 10 0 BHAEMO Cc1cccc(N[C@@H](C)c2ccccc2F)[nH+]1 ZINC000049531074 179153687 /nfs/dbraw/zinc/15/36/87/179153687.db2.gz YULMGWREOIPDPO-NSHDSACASA-N 1 1 230.286 3.702 10 0 BHAEMO Cc1cccc(N[C@H](C)c2ccccc2F)[nH+]1 ZINC000049531075 179156260 /nfs/dbraw/zinc/15/62/60/179156260.db2.gz YULMGWREOIPDPO-LLVKDONJSA-N 1 1 230.286 3.702 10 0 BHAEMO Cc1cccc(N[C@@H](C)c2cccc(F)c2)[nH+]1 ZINC000049531134 179153967 /nfs/dbraw/zinc/15/39/67/179153967.db2.gz OTWJQJWQPLMDLY-NSHDSACASA-N 1 1 230.286 3.702 10 0 BHAEMO Cc1cccc(N[C@H](C)c2cccc(F)c2)[nH+]1 ZINC000049531135 179155941 /nfs/dbraw/zinc/15/59/41/179155941.db2.gz OTWJQJWQPLMDLY-LLVKDONJSA-N 1 1 230.286 3.702 10 0 BHAEMO CC[C@H](Nc1cc(C)[nH+]c(C)n1)c1cccs1 ZINC000049531160 353168213 /nfs/dbraw/zinc/16/82/13/353168213.db2.gz VFNPLBXWOKLBJV-NSHDSACASA-N 1 1 247.367 3.718 10 0 BHAEMO CC[C@@H](Nc1cc(C)[nH+]c(C)n1)c1cccs1 ZINC000049531161 353168266 /nfs/dbraw/zinc/16/82/66/353168266.db2.gz VFNPLBXWOKLBJV-LLVKDONJSA-N 1 1 247.367 3.718 10 0 BHAEMO CCC[C@H](Nc1ccc(N)[nH+]c1)c1cccs1 ZINC000049542240 169514489 /nfs/dbraw/zinc/51/44/89/169514489.db2.gz HCTOYPRNBOHRLK-NSHDSACASA-N 1 1 247.367 3.679 10 0 BHAEMO CC(C)[C@H](Nc1ccc(N)[nH+]c1)c1cccs1 ZINC000049555083 188124583 /nfs/dbraw/zinc/12/45/83/188124583.db2.gz WRHVLEUAEPLVEF-ZDUSSCGKSA-N 1 1 247.367 3.535 10 0 BHAEMO CC(C)[C@H](Nc1ccc(N)c[nH+]1)c1cccs1 ZINC000049555147 187270468 /nfs/dbraw/zinc/27/04/68/187270468.db2.gz WMZLHLZTICVMQH-ZDUSSCGKSA-N 1 1 247.367 3.535 10 0 BHAEMO Cc1cc([NH2+][C@@H](C)CCc2ccco2)ccc1N ZINC000049564437 178178946 /nfs/dbraw/zinc/17/89/46/178178946.db2.gz WGDNXCIXAHGJHP-LBPRGKRZSA-N 1 1 244.338 3.603 10 0 BHAEMO Cc1cc([NH2+][C@H](C)CCc2ccco2)ccc1N ZINC000049564438 178185193 /nfs/dbraw/zinc/18/51/93/178185193.db2.gz WGDNXCIXAHGJHP-GFCCVEGCSA-N 1 1 244.338 3.603 10 0 BHAEMO CCC[N@H+](Cc1ccccc1N)C[C@@H](C)CC ZINC000050425151 169177224 /nfs/dbraw/zinc/17/72/24/169177224.db2.gz ILOUQWWQEPSBNR-ZDUSSCGKSA-N 1 1 234.387 3.527 10 0 BHAEMO CCC[N@H+](Cc1ccccc1N)C[C@H](C)CC ZINC000050425153 169177481 /nfs/dbraw/zinc/17/74/81/169177481.db2.gz ILOUQWWQEPSBNR-CYBMUJFWSA-N 1 1 234.387 3.527 10 0 BHAEMO CCCOc1cccc2c(NC)cc(CC)[nH+]c12 ZINC000050868921 169325664 /nfs/dbraw/zinc/32/56/64/169325664.db2.gz DHXFUERZPWSSNW-UHFFFAOYSA-N 1 1 244.338 3.628 10 0 BHAEMO CCCNc1cc(C)[nH+]c2c(OCC)cccc12 ZINC000050869220 169293362 /nfs/dbraw/zinc/29/33/62/169293362.db2.gz CPSGGBCVAMGOFG-UHFFFAOYSA-N 1 1 244.338 3.764 10 0 BHAEMO CCNc1cc(C)[nH+]c2c(Cl)cccc12 ZINC000050870589 170171947 /nfs/dbraw/zinc/17/19/47/170171947.db2.gz WOZHKWMWCNNXBM-UHFFFAOYSA-N 1 1 220.703 3.628 10 0 BHAEMO Cc1nc(C)c([C@@H](C)Nc2[nH+]cccc2C)s1 ZINC000051041036 179919307 /nfs/dbraw/zinc/91/93/07/179919307.db2.gz MUYZFTMJZMDLIO-SNVBAGLBSA-N 1 1 247.367 3.636 10 0 BHAEMO Cc1ccc[nH+]c1N[C@@H](C)c1ccc(F)cc1 ZINC000051041111 179395153 /nfs/dbraw/zinc/39/51/53/179395153.db2.gz AFEVZLSXEMZZSR-NSHDSACASA-N 1 1 230.286 3.702 10 0 BHAEMO Cc1ccc[nH+]c1N[C@H](C)c1ccc(F)cc1 ZINC000051041112 179396472 /nfs/dbraw/zinc/39/64/72/179396472.db2.gz AFEVZLSXEMZZSR-LLVKDONJSA-N 1 1 230.286 3.702 10 0 BHAEMO CCC(CC)C[N@@H+](CC)CC(CC)(CC)CO ZINC000051294514 168347923 /nfs/dbraw/zinc/34/79/23/168347923.db2.gz FWYYYCMGDUTMQZ-UHFFFAOYSA-N 1 1 243.435 3.543 10 0 BHAEMO CCCC[N@@H+](CC(CC)(CC)CO)[C@@H](C)CC ZINC000051296173 168787745 /nfs/dbraw/zinc/78/77/45/168787745.db2.gz PGDYEZDZJVFUSS-AWEZNQCLSA-N 1 1 243.435 3.686 10 0 BHAEMO Cc1cccc(N[C@@H]2CCCc3ccccc32)[nH+]1 ZINC000051632559 179154848 /nfs/dbraw/zinc/15/48/48/179154848.db2.gz TUOZDSDVSVDPOI-OAHLLOKOSA-N 1 1 238.334 3.880 10 0 BHAEMO Cc1cccc(N[C@H]2CCCc3ccccc32)[nH+]1 ZINC000051632560 179157918 /nfs/dbraw/zinc/15/79/18/179157918.db2.gz TUOZDSDVSVDPOI-HNNXBMFYSA-N 1 1 238.334 3.880 10 0 BHAEMO CCc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000051722830 398058688 /nfs/dbraw/zinc/05/86/88/398058688.db2.gz DCOKTCXJYHHNAH-NSHDSACASA-N 1 1 233.311 3.594 10 0 BHAEMO CCc1ccc(C[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000051722833 398058784 /nfs/dbraw/zinc/05/87/84/398058784.db2.gz DCOKTCXJYHHNAH-LLVKDONJSA-N 1 1 233.311 3.594 10 0 BHAEMO Cc1ccc(C)c(NCC[C@H]2CCCC[N@@H+]2C)c1 ZINC000052205396 178484367 /nfs/dbraw/zinc/48/43/67/178484367.db2.gz NMOQCYWGKWPAKE-OAHLLOKOSA-N 1 1 246.398 3.590 10 0 BHAEMO C[C@@H]1C[C@@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000052291880 386906710 /nfs/dbraw/zinc/90/67/10/386906710.db2.gz HUQYFIBNVMVJCH-PELKAZGASA-N 1 1 232.714 3.709 10 0 BHAEMO C[C@H]1C[C@@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000052291883 177350631 /nfs/dbraw/zinc/35/06/31/177350631.db2.gz HUQYFIBNVMVJCH-UFBFGSQYSA-N 1 1 232.714 3.709 10 0 BHAEMO C[C@@H]1C[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000052291886 386905811 /nfs/dbraw/zinc/90/58/11/386905811.db2.gz HUQYFIBNVMVJCH-PRHODGIISA-N 1 1 232.714 3.709 10 0 BHAEMO C[C@H]1C[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000052291888 187531777 /nfs/dbraw/zinc/53/17/77/187531777.db2.gz HUQYFIBNVMVJCH-QPUJVOFHSA-N 1 1 232.714 3.709 10 0 BHAEMO CCCNc1cc(C[N@@H+](CCC)C(C)C)ccn1 ZINC000052719767 169293651 /nfs/dbraw/zinc/29/36/51/169293651.db2.gz NNEVGDOWODBXKH-UHFFFAOYSA-N 1 1 249.402 3.524 10 0 BHAEMO CCCNc1cc(C[N@@H+](C)C(CC)CC)ccn1 ZINC000052721399 169293672 /nfs/dbraw/zinc/29/36/72/169293672.db2.gz VAHDCOMIICFICL-UHFFFAOYSA-N 1 1 249.402 3.524 10 0 BHAEMO CCc1ccc([C@@H]([NH2+]C)c2cc(C)ccc2F)o1 ZINC000052982848 171835272 /nfs/dbraw/zinc/83/52/72/171835272.db2.gz QRCILNDCHRRGCV-HNNXBMFYSA-N 1 1 247.313 3.598 10 0 BHAEMO Cc1cccc(NCC[N@H+](C)C2CCCCC2)c1 ZINC000053344056 179144995 /nfs/dbraw/zinc/14/49/95/179144995.db2.gz COQGAXPHZRGZRC-UHFFFAOYSA-N 1 1 246.398 3.671 10 0 BHAEMO CCC(CC)[N@@H+](C)CCNc1ccc(C)cc1 ZINC000053383906 168369102 /nfs/dbraw/zinc/36/91/02/168369102.db2.gz CQJGYBGSSQKFON-UHFFFAOYSA-N 1 1 234.387 3.527 10 0 BHAEMO CCC(CC)[N@@H+](C)CCNc1ccccc1C ZINC000053383936 168369764 /nfs/dbraw/zinc/36/97/64/168369764.db2.gz PTNCNXVXAZRKGC-UHFFFAOYSA-N 1 1 234.387 3.527 10 0 BHAEMO CCC[C@@H](C)[N@@H+](C)CCNc1ccc(C)cc1 ZINC000053384335 169365302 /nfs/dbraw/zinc/36/53/02/169365302.db2.gz SEGILDACPRZWMT-CQSZACIVSA-N 1 1 234.387 3.527 10 0 BHAEMO CCC[C@@H](C)[N@@H+](C)CCNc1ccccc1C ZINC000053384386 169364826 /nfs/dbraw/zinc/36/48/26/169364826.db2.gz AZEAJNCXNDNNSF-CQSZACIVSA-N 1 1 234.387 3.527 10 0 BHAEMO Cc1ccc(NCC[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000053386942 178758799 /nfs/dbraw/zinc/75/87/99/178758799.db2.gz CUVZCNTTYOZIHY-CABCVRRESA-N 1 1 246.398 3.527 10 0 BHAEMO Cc1ccccc1NCC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000053386992 179305210 /nfs/dbraw/zinc/30/52/10/179305210.db2.gz GKDMASNUGSEGCC-ZFWWWQNUSA-N 1 1 246.398 3.527 10 0 BHAEMO Cc1ccccc1NCC[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000053386994 179304582 /nfs/dbraw/zinc/30/45/82/179304582.db2.gz GKDMASNUGSEGCC-HIFRSBDPSA-N 1 1 246.398 3.527 10 0 BHAEMO Cc1ccc(NCC[N@H+](C)[C@H](C)CC(C)C)cc1 ZINC000053442689 178758456 /nfs/dbraw/zinc/75/84/56/178758456.db2.gz BBVUTHKKNKRSDP-OAHLLOKOSA-N 1 1 248.414 3.773 10 0 BHAEMO Cc1cccc(NCC[N@H+](CC(C)C)C(C)C)c1 ZINC000053443448 179145528 /nfs/dbraw/zinc/14/55/28/179145528.db2.gz SFPXBZDIPBBZGU-UHFFFAOYSA-N 1 1 248.414 3.773 10 0 BHAEMO Cc1ccccc1NCC[N@H+](CC(C)C)C(C)C ZINC000053443493 179304370 /nfs/dbraw/zinc/30/43/70/179304370.db2.gz PJCNTMILYHWIJO-UHFFFAOYSA-N 1 1 248.414 3.773 10 0 BHAEMO CCC[N@@H+](C[C@H]1C[C@H](CC)CCC1=O)C(C)C ZINC000053926582 169173987 /nfs/dbraw/zinc/17/39/87/169173987.db2.gz KFZXPRJAEKMPMD-ZIAGYGMSSA-N 1 1 239.403 3.502 10 0 BHAEMO CC[C@H](C)[N@@H+](CC)CCC(=O)c1ccccc1C ZINC000054013616 171312694 /nfs/dbraw/zinc/31/26/94/171312694.db2.gz GZLFYSOYQRLTRY-AWEZNQCLSA-N 1 1 247.382 3.688 10 0 BHAEMO CCC[N@@H+](CCC(=O)c1ccccc1C)C(C)C ZINC000054013627 169139854 /nfs/dbraw/zinc/13/98/54/169139854.db2.gz PJZUXNNRZDTEPD-UHFFFAOYSA-N 1 1 247.382 3.688 10 0 BHAEMO CC[C@H](C)C[N@@H+](C)CCC(=O)c1ccccc1C ZINC000054013645 171273087 /nfs/dbraw/zinc/27/30/87/171273087.db2.gz HZCSLPLMBCJGCM-ZDUSSCGKSA-N 1 1 247.382 3.546 10 0 BHAEMO CCC(CC)[N@@H+](C)CCC(=O)c1ccccc1C ZINC000054013787 168369314 /nfs/dbraw/zinc/36/93/14/168369314.db2.gz HJEVYZRTDDRWLR-UHFFFAOYSA-N 1 1 247.382 3.688 10 0 BHAEMO Cc1ccccc1C(=O)CC[N@H+](C)[C@@H](C)C(C)C ZINC000054013796 179246147 /nfs/dbraw/zinc/24/61/47/179246147.db2.gz LEWZMRTXPOLUJA-AWEZNQCLSA-N 1 1 247.382 3.544 10 0 BHAEMO Cc1ccccc1C(=O)CC[N@H+](C)[C@H](C)C(C)C ZINC000054013798 179246123 /nfs/dbraw/zinc/24/61/23/179246123.db2.gz LEWZMRTXPOLUJA-CQSZACIVSA-N 1 1 247.382 3.544 10 0 BHAEMO CCC[C@@H](C)[N@@H+](C)CCC(=O)c1ccccc1C ZINC000054013870 169364296 /nfs/dbraw/zinc/36/42/96/169364296.db2.gz PZGUYYYOZBZYJV-CQSZACIVSA-N 1 1 247.382 3.688 10 0 BHAEMO CC[C@H](C)[N@@H+](CC)CC[C@H](N)c1ccccc1C ZINC000054017214 171312151 /nfs/dbraw/zinc/31/21/51/171312151.db2.gz VFWIRDSKABFYEP-HOCLYGCPSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](CC[C@H](N)c1ccccc1C)C(C)C ZINC000054017243 169170132 /nfs/dbraw/zinc/17/01/32/169170132.db2.gz KIGOEUFYYLKJAA-INIZCTEOSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[N@@H+](CC[C@@H](N)c1ccccc1C)C(C)C ZINC000054017245 169170781 /nfs/dbraw/zinc/17/07/81/169170781.db2.gz KIGOEUFYYLKJAA-MRXNPFEDSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC(CC)[N@@H+](C)CC[C@H](N)c1ccccc1C ZINC000054017894 168369528 /nfs/dbraw/zinc/36/95/28/168369528.db2.gz YRTXAUPCYPDKSY-INIZCTEOSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC(CC)[N@@H+](C)CC[C@@H](N)c1ccccc1C ZINC000054017896 168369161 /nfs/dbraw/zinc/36/91/61/168369161.db2.gz YRTXAUPCYPDKSY-MRXNPFEDSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC[C@@H](C)[N@@H+](C)CC[C@H](N)c1ccccc1C ZINC000054018185 169364864 /nfs/dbraw/zinc/36/48/64/169364864.db2.gz YOTVQIUTGZYOJJ-ZBFHGGJFSA-N 1 1 248.414 3.505 10 0 BHAEMO CCC(CC)C[N@@H+](CC)CCC(=O)C(C)(C)C ZINC000054026612 168349226 /nfs/dbraw/zinc/34/92/26/168349226.db2.gz IDNXFTNIRKULAS-UHFFFAOYSA-N 1 1 241.419 3.750 10 0 BHAEMO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCCCC1 ZINC000054600886 385636549 /nfs/dbraw/zinc/63/65/49/385636549.db2.gz LGUQOXNJKTUNPK-GASCZTMLSA-N 1 1 249.398 3.685 10 0 BHAEMO CCC(CC)C[N@@H+](CC)c1ccc(N)cc1C ZINC000057580326 168350671 /nfs/dbraw/zinc/35/06/71/168350671.db2.gz HRQMIMUWZBKEHF-UHFFFAOYSA-N 1 1 234.387 3.840 10 0 BHAEMO CCC(CC)C[N@@H+](CC)c1ccc(N)c(C)c1 ZINC000057580328 168351233 /nfs/dbraw/zinc/35/12/33/168351233.db2.gz QUOUXFOVTCSKHF-UHFFFAOYSA-N 1 1 234.387 3.840 10 0 BHAEMO Cc1cc([NH2+]CCC2CCCCC2)ccc1N ZINC000057939945 178158017 /nfs/dbraw/zinc/15/80/17/178158017.db2.gz UOETXAGGMZZIHA-UHFFFAOYSA-N 1 1 232.371 3.960 10 0 BHAEMO Cc1cc(N)ccc1[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000058999339 178105770 /nfs/dbraw/zinc/10/57/70/178105770.db2.gz KGVBXRKZAYPOGY-SMDDNHRTSA-N 1 1 232.371 3.592 10 0 BHAEMO Cc1cc(N)ccc1[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000058999341 178105527 /nfs/dbraw/zinc/10/55/27/178105527.db2.gz KGVBXRKZAYPOGY-FZMZJTMJSA-N 1 1 232.371 3.592 10 0 BHAEMO Cc1cc([N@H+](C)[C@@H]2CCCC[C@@H]2C)ccc1N ZINC000058999345 178100106 /nfs/dbraw/zinc/10/01/06/178100106.db2.gz WYZJUAMFLMDXBC-XHDPSFHLSA-N 1 1 232.371 3.592 10 0 BHAEMO Cc1cc([N@H+](C)[C@H]2CCCC[C@@H]2C)ccc1N ZINC000058999347 178100755 /nfs/dbraw/zinc/10/07/55/178100755.db2.gz WYZJUAMFLMDXBC-NHYWBVRUSA-N 1 1 232.371 3.592 10 0 BHAEMO Cc1cc(N)ccc1[NH+]1CCC(C(C)(C)C)CC1 ZINC000060038577 132368696 /nfs/dbraw/zinc/36/86/96/132368696.db2.gz BIGKMHTWEKNDAY-UHFFFAOYSA-N 1 1 246.398 3.840 10 0 BHAEMO CCC(CC)C[N@@H+](CC)c1ccc(C)c(N)c1 ZINC000061701360 168350591 /nfs/dbraw/zinc/35/05/91/168350591.db2.gz XBVXALDOWVSVHL-UHFFFAOYSA-N 1 1 234.387 3.840 10 0 BHAEMO CCC(CC)C[N@H+](CC)c1ccc(C)c(N)c1 ZINC000061701360 168350588 /nfs/dbraw/zinc/35/05/88/168350588.db2.gz XBVXALDOWVSVHL-UHFFFAOYSA-N 1 1 234.387 3.840 10 0 BHAEMO Cc1ccc[nH+]c1N[C@@H](C)Cc1ccc(F)cc1 ZINC000062054706 179395825 /nfs/dbraw/zinc/39/58/25/179395825.db2.gz VZABKIGWIHXBIL-LBPRGKRZSA-N 1 1 244.313 3.572 10 0 BHAEMO Cc1ccc[nH+]c1N[C@H](C)Cc1ccc(F)cc1 ZINC000062054707 179396317 /nfs/dbraw/zinc/39/63/17/179396317.db2.gz VZABKIGWIHXBIL-GFCCVEGCSA-N 1 1 244.313 3.572 10 0 BHAEMO CCC1(CC)CC[NH+](c2ccc(N)c(C)c2)CC1 ZINC000062953400 132388435 /nfs/dbraw/zinc/38/84/35/132388435.db2.gz MHLVOJOMWNVDLT-UHFFFAOYSA-N 1 1 246.398 3.984 10 0 BHAEMO Cc1ccc(NCC2CCC(C)CC2)[nH+]c1 ZINC000063145986 641137741 /nfs/dbraw/zinc/13/77/41/641137741.db2.gz YSWJWYJQIMDCFI-UHFFFAOYSA-N 1 1 218.344 3.628 10 0 BHAEMO CCC[N@H+]1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000068590773 169191961 /nfs/dbraw/zinc/19/19/61/169191961.db2.gz OKINFUVQNJJUGV-GFCCVEGCSA-N 1 1 238.762 3.672 10 0 BHAEMO CCC[N@H+]1CCCC[C@H]1c1ccc(Cl)nc1 ZINC000068590777 169191456 /nfs/dbraw/zinc/19/14/56/169191456.db2.gz OKINFUVQNJJUGV-LBPRGKRZSA-N 1 1 238.762 3.672 10 0 BHAEMO C[C@H](Nc1[nH]c2ccccc2[nH+]1)C1CCCC1 ZINC000070307183 323186235 /nfs/dbraw/zinc/18/62/35/323186235.db2.gz VVEWKUPHHHRERJ-JTQLQIEISA-N 1 1 229.327 3.554 10 0 BHAEMO C[C@@H](Nc1[nH]c2ccccc2[nH+]1)C1CCCC1 ZINC000070307184 323186189 /nfs/dbraw/zinc/18/61/89/323186189.db2.gz VVEWKUPHHHRERJ-SNVBAGLBSA-N 1 1 229.327 3.554 10 0 BHAEMO CC(C)c1ccc(CCc2ccc[nH+]c2N)cc1 ZINC000070407663 345702981 /nfs/dbraw/zinc/70/29/81/345702981.db2.gz GGEIULGERJDXCX-UHFFFAOYSA-N 1 1 240.350 3.572 10 0 BHAEMO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1nccs1 ZINC000070732194 383961558 /nfs/dbraw/zinc/96/15/58/383961558.db2.gz JFKCKCLBXAAFEL-DTWKUNHWSA-N 1 1 238.381 3.616 10 0 BHAEMO C[C@@H]([NH2+][C@H](C)c1nccs1)c1cccs1 ZINC000070732195 175920594 /nfs/dbraw/zinc/92/05/94/175920594.db2.gz JFKCKCLBXAAFEL-RKDXNWHRSA-N 1 1 238.381 3.616 10 0 BHAEMO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccno2)cc1 ZINC000071089182 384151749 /nfs/dbraw/zinc/15/17/49/384151749.db2.gz OTRXBZKAORCXQD-GFCCVEGCSA-N 1 1 244.338 3.649 10 0 BHAEMO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccno2)cc1 ZINC000071089183 384150861 /nfs/dbraw/zinc/15/08/61/384150861.db2.gz OTRXBZKAORCXQD-LBPRGKRZSA-N 1 1 244.338 3.649 10 0 BHAEMO Cc1ccc(Nc2[nH]c3ccccc3[nH+]2)c(F)c1 ZINC000072416290 384113488 /nfs/dbraw/zinc/11/34/88/384113488.db2.gz KVNDFRBYAHUPHP-UHFFFAOYSA-N 1 1 241.269 3.754 10 0 BHAEMO C[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000072817339 325177264 /nfs/dbraw/zinc/17/72/64/325177264.db2.gz BYJLHUBLIVHRAV-CYBMUJFWSA-N 1 1 240.350 3.609 10 0 BHAEMO C[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000072817340 325177185 /nfs/dbraw/zinc/17/71/85/325177185.db2.gz BYJLHUBLIVHRAV-ZDUSSCGKSA-N 1 1 240.350 3.609 10 0 BHAEMO CCCC[N@@H+](CC)Cc1ccc2ccccc2n1 ZINC000072949984 325183231 /nfs/dbraw/zinc/18/32/31/325183231.db2.gz WESJNQXOKWOSBL-UHFFFAOYSA-N 1 1 242.366 3.857 10 0 BHAEMO CC(C)CC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000074350924 369965902 /nfs/dbraw/zinc/96/59/02/369965902.db2.gz GNRKRIYQHUPFDF-UHFFFAOYSA-N 1 1 242.366 3.713 10 0 BHAEMO FC(F)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000075060043 386070360 /nfs/dbraw/zinc/07/03/60/386070360.db2.gz SJWOXVUKKYZOPM-UHFFFAOYSA-N 1 1 242.656 3.565 10 0 BHAEMO Cc1[nH+]c2cc(C)cc(C)c2n1-c1ccccc1 ZINC000076210715 177883844 /nfs/dbraw/zinc/88/38/44/177883844.db2.gz YGIYVNIZKGZOLE-UHFFFAOYSA-N 1 1 236.318 3.951 10 0 BHAEMO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1nccs1 ZINC000080264973 179339057 /nfs/dbraw/zinc/33/90/57/179339057.db2.gz GAIGVWBOCWRTKD-NWDGAFQWSA-N 1 1 246.379 3.863 10 0 BHAEMO Nc1ccc([NH+]2CCCC2)c(-c2ccccc2)c1 ZINC000080821447 345751258 /nfs/dbraw/zinc/75/12/58/345751258.db2.gz SVFWASFDFMUXAB-UHFFFAOYSA-N 1 1 238.334 3.536 10 0 BHAEMO Clc1c[nH+]ccc1N1CC[C@H]2CCCC[C@@H]21 ZINC000080972541 345456959 /nfs/dbraw/zinc/45/69/59/345456959.db2.gz FTHZULFDPNPRPX-PWSUYJOCSA-N 1 1 236.746 3.504 10 0 BHAEMO CC(C)(C)c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC000082359712 188312522 /nfs/dbraw/zinc/31/25/22/188312522.db2.gz XFFDUJPDGMLEFR-UHFFFAOYSA-N 1 1 226.323 3.628 10 0 BHAEMO Cc1cc(Cl)ccc1Nc1[nH+]cc(N)cc1C ZINC000082553838 178068885 /nfs/dbraw/zinc/06/88/85/178068885.db2.gz BXRLRMIMORMPQJ-UHFFFAOYSA-N 1 1 247.729 3.678 10 0 BHAEMO Cc1cc(N)[nH+]cc1-c1ccc2c(c1)CCCC2 ZINC000082730113 178109560 /nfs/dbraw/zinc/10/95/60/178109560.db2.gz GONMTAVZEXVQSB-UHFFFAOYSA-N 1 1 238.334 3.518 10 0 BHAEMO Cc1cc(N)[nH+]cc1-c1ccc(C(C)(C)C)cc1 ZINC000082730115 178109961 /nfs/dbraw/zinc/10/99/61/178109961.db2.gz STULGRJDDFAYNT-UHFFFAOYSA-N 1 1 240.350 3.937 10 0 BHAEMO Cc1ccc(Cl)cc1-c1ccc(N)[nH+]c1C ZINC000082730167 388587732 /nfs/dbraw/zinc/58/77/32/388587732.db2.gz PMALHDGVXSAMPA-UHFFFAOYSA-N 1 1 232.714 3.601 10 0 BHAEMO Cc1[nH+]c(N)ccc1-c1ccc2c(c1)CCCC2 ZINC000082730174 490300221 /nfs/dbraw/zinc/30/02/21/490300221.db2.gz FVVBOURRSPXCEJ-UHFFFAOYSA-N 1 1 238.334 3.518 10 0 BHAEMO Cc1ccc2c(cc[nH+]c2Nc2ccccc2)c1N ZINC000082765458 384711626 /nfs/dbraw/zinc/71/16/26/384711626.db2.gz VIDPTOPYFFIWFS-UHFFFAOYSA-N 1 1 249.317 3.869 10 0 BHAEMO Cc1cccc(NC/C=C/c2ccccc2)[nH+]1 ZINC000083353534 388048664 /nfs/dbraw/zinc/04/86/64/388048664.db2.gz IXIFHZMGVCYWOX-UXBLZVDNSA-N 1 1 224.307 3.515 10 0 BHAEMO Cc1cccc(C[NH2+]Cc2ccco2)c1Cl ZINC000083362900 179094920 /nfs/dbraw/zinc/09/49/20/179094920.db2.gz FKOSKYPNBMZEIX-UHFFFAOYSA-N 1 1 235.714 3.531 10 0 BHAEMO C[C@H]([NH2+]C/C(Cl)=C/Cl)c1cccs1 ZINC000085977693 384582053 /nfs/dbraw/zinc/58/20/53/384582053.db2.gz OSZUCVNHKKTDQR-BJMRUTCWSA-N 1 1 236.167 3.718 10 0 BHAEMO C[C@@H]([NH2+]C/C(Cl)=C/Cl)c1cccs1 ZINC000085977695 384584000 /nfs/dbraw/zinc/58/40/00/384584000.db2.gz OSZUCVNHKKTDQR-BESBCXERSA-N 1 1 236.167 3.718 10 0 BHAEMO Cc1ccccc1[C@@H](C)[NH2+]C/C(Cl)=C/Cl ZINC000085978383 643870133 /nfs/dbraw/zinc/87/01/33/643870133.db2.gz ROWDSDCDHUWZJY-PAKSIRSJSA-N 1 1 244.165 3.965 10 0 BHAEMO Cc1ccccc1[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC000085978387 643870330 /nfs/dbraw/zinc/87/03/30/643870330.db2.gz ROWDSDCDHUWZJY-QBQSQJOESA-N 1 1 244.165 3.965 10 0 BHAEMO C[C@H](Nc1cc[nH+]cc1Cl)c1cccs1 ZINC000086831184 388512451 /nfs/dbraw/zinc/51/24/51/388512451.db2.gz ZLOGEUGVMMYIBS-QMMMGPOBSA-N 1 1 238.743 3.970 10 0 BHAEMO C[C@@H](Nc1cc[nH+]cc1Cl)c1cccs1 ZINC000086831185 388512530 /nfs/dbraw/zinc/51/25/30/388512530.db2.gz ZLOGEUGVMMYIBS-MRVPVSSYSA-N 1 1 238.743 3.970 10 0 BHAEMO CC[C@H](Nc1cc[nH+]cc1Cl)C(C)C ZINC000086831248 385050310 /nfs/dbraw/zinc/05/03/10/385050310.db2.gz OUVBPCQXXRIDGY-JTQLQIEISA-N 1 1 212.724 3.582 10 0 BHAEMO CC[C@@H](Nc1cc[nH+]cc1Cl)C(C)C ZINC000086831249 385052934 /nfs/dbraw/zinc/05/29/34/385052934.db2.gz OUVBPCQXXRIDGY-SNVBAGLBSA-N 1 1 212.724 3.582 10 0 BHAEMO C[C@H](Nc1cc[nH+]cc1Cl)C1CCCC1 ZINC000086839353 388512936 /nfs/dbraw/zinc/51/29/36/388512936.db2.gz CEIXTIXYJBNAAL-VIFPVBQESA-N 1 1 224.735 3.726 10 0 BHAEMO C[C@@H](Nc1cc[nH+]cc1Cl)C1CCCC1 ZINC000086839355 388512608 /nfs/dbraw/zinc/51/26/08/388512608.db2.gz CEIXTIXYJBNAAL-SECBINFHSA-N 1 1 224.735 3.726 10 0 BHAEMO CCCCCNc1cccc2cc[nH+]cc21 ZINC000087377571 325633243 /nfs/dbraw/zinc/63/32/43/325633243.db2.gz YGMRKDHSGGTRMW-UHFFFAOYSA-N 1 1 214.312 3.837 10 0 BHAEMO Cc1cccc([C@@H](C)[NH2+]C/C(Cl)=C/Cl)c1 ZINC000088162223 641318848 /nfs/dbraw/zinc/31/88/48/641318848.db2.gz FGSVABQLLIZJKH-VPMLRQHESA-N 1 1 244.165 3.965 10 0 BHAEMO Cc1cccc([C@H](C)[NH2+]C/C(Cl)=C/Cl)c1 ZINC000088162277 641319578 /nfs/dbraw/zinc/31/95/78/641319578.db2.gz FGSVABQLLIZJKH-BZPKPHBRSA-N 1 1 244.165 3.965 10 0 BHAEMO CCc1cc(N[C@@H](C)c2cccs2)nc(C)[nH+]1 ZINC000088760141 491108239 /nfs/dbraw/zinc/10/82/39/491108239.db2.gz SLDRPHOKYWVKFQ-VIFPVBQESA-N 1 1 247.367 3.582 10 0 BHAEMO C=Cc1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC000090735135 384072649 /nfs/dbraw/zinc/07/26/49/384072649.db2.gz JWYLTITZINZIEO-UHFFFAOYSA-N 1 1 235.330 3.845 10 0 BHAEMO c1ccc(C2=C[N@@H+]3CCCC[C@@H]3CC2)cc1 ZINC000090755284 368995894 /nfs/dbraw/zinc/99/58/94/368995894.db2.gz AMNIUADSZBSURC-OAHLLOKOSA-N 1 1 213.324 3.676 10 0 BHAEMO c1ccc(C2=C[N@@H+]3CCCC[C@H]3CC2)cc1 ZINC000090755285 368996613 /nfs/dbraw/zinc/99/66/13/368996613.db2.gz AMNIUADSZBSURC-HNNXBMFYSA-N 1 1 213.324 3.676 10 0 BHAEMO Cc1[nH+]c(N)ccc1-c1ccc(C(C)C)cc1 ZINC000091508291 631540393 /nfs/dbraw/zinc/54/03/93/631540393.db2.gz KZYAFOXWELHSMG-UHFFFAOYSA-N 1 1 226.323 3.763 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)o1 ZINC000092195807 178847672 /nfs/dbraw/zinc/84/76/72/178847672.db2.gz GIASGDUJQHOZKC-WDEREUQCSA-N 1 1 248.301 3.534 10 0 BHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)o1 ZINC000092195809 384167452 /nfs/dbraw/zinc/16/74/52/384167452.db2.gz GIASGDUJQHOZKC-QWRGUYRKSA-N 1 1 248.301 3.534 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)o1 ZINC000092195811 384166920 /nfs/dbraw/zinc/16/69/20/384166920.db2.gz GIASGDUJQHOZKC-GHMZBOCLSA-N 1 1 248.301 3.534 10 0 BHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cn2)o1 ZINC000092195813 384168123 /nfs/dbraw/zinc/16/81/23/384168123.db2.gz GIASGDUJQHOZKC-MNOVXSKESA-N 1 1 248.301 3.534 10 0 BHAEMO c1coc([C@@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)c1 ZINC000093325257 360231230 /nfs/dbraw/zinc/23/12/30/360231230.db2.gz LGFYXBPZLPOPGZ-KBPBESRZSA-N 1 1 231.339 3.773 10 0 BHAEMO c1coc([C@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)c1 ZINC000093325258 360231311 /nfs/dbraw/zinc/23/13/11/360231311.db2.gz LGFYXBPZLPOPGZ-UONOGXRCSA-N 1 1 231.339 3.773 10 0 BHAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2cccs2)c1 ZINC000093335093 360233185 /nfs/dbraw/zinc/23/31/85/360233185.db2.gz XIXNUYCGYJCJCR-LBPRGKRZSA-N 1 1 233.336 3.678 10 0 BHAEMO c1coc([C@H]2CCC[N@@H+]2Cc2cccs2)c1 ZINC000093335094 360232698 /nfs/dbraw/zinc/23/26/98/360232698.db2.gz XIXNUYCGYJCJCR-GFCCVEGCSA-N 1 1 233.336 3.678 10 0 BHAEMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000093335095 360232417 /nfs/dbraw/zinc/23/24/17/360232417.db2.gz NPLBKSWQOKWJOA-CYBMUJFWSA-N 1 1 231.295 3.518 10 0 BHAEMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)o1 ZINC000093335096 360232313 /nfs/dbraw/zinc/23/23/13/360232313.db2.gz NPLBKSWQOKWJOA-ZDUSSCGKSA-N 1 1 231.295 3.518 10 0 BHAEMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000093335101 360232333 /nfs/dbraw/zinc/23/23/33/360232333.db2.gz XIOFYILUZSPBCT-CYBMUJFWSA-N 1 1 247.363 3.987 10 0 BHAEMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)s1 ZINC000093335102 360232972 /nfs/dbraw/zinc/23/29/72/360232972.db2.gz XIOFYILUZSPBCT-ZDUSSCGKSA-N 1 1 247.363 3.987 10 0 BHAEMO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000093335167 360232560 /nfs/dbraw/zinc/23/25/60/360232560.db2.gz FVGYCHQPBUSNPH-GFCCVEGCSA-N 1 1 247.363 3.987 10 0 BHAEMO Cc1ccsc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000093335168 360233140 /nfs/dbraw/zinc/23/31/40/360233140.db2.gz FVGYCHQPBUSNPH-LBPRGKRZSA-N 1 1 247.363 3.987 10 0 BHAEMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000093335187 360232408 /nfs/dbraw/zinc/23/24/08/360232408.db2.gz LFCVRSNLFPDARV-CQSZACIVSA-N 1 1 245.322 3.772 10 0 BHAEMO CCc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)o1 ZINC000093335188 360232518 /nfs/dbraw/zinc/23/25/18/360232518.db2.gz LFCVRSNLFPDARV-AWEZNQCLSA-N 1 1 245.322 3.772 10 0 BHAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2ccsc2)c1 ZINC000093335411 360232141 /nfs/dbraw/zinc/23/21/41/360232141.db2.gz OLKFTEIFPYIFNN-LBPRGKRZSA-N 1 1 233.336 3.678 10 0 BHAEMO c1coc([C@H]2CCC[N@@H+]2Cc2ccsc2)c1 ZINC000093335412 360233221 /nfs/dbraw/zinc/23/32/21/360233221.db2.gz OLKFTEIFPYIFNN-GFCCVEGCSA-N 1 1 233.336 3.678 10 0 BHAEMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccco2)o1 ZINC000093443853 360244856 /nfs/dbraw/zinc/24/48/56/360244856.db2.gz OHBGPJFOMPUEHU-AWEZNQCLSA-N 1 1 245.322 3.908 10 0 BHAEMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccco2)o1 ZINC000093443854 360244059 /nfs/dbraw/zinc/24/40/59/360244059.db2.gz OHBGPJFOMPUEHU-CQSZACIVSA-N 1 1 245.322 3.908 10 0 BHAEMO Cc1cc(N)[nH+]cc1-c1ccc(C(C)C)cc1 ZINC000094064299 631574509 /nfs/dbraw/zinc/57/45/09/631574509.db2.gz ZDIQSVFVAFVNSZ-UHFFFAOYSA-N 1 1 226.323 3.763 10 0 BHAEMO CC(C)c1c[nH+]cc(C(C)C)c1OC1CC1 ZINC000095721963 188146807 /nfs/dbraw/zinc/14/68/07/188146807.db2.gz ZWKPRLMQOYZWMP-UHFFFAOYSA-N 1 1 219.328 3.870 10 0 BHAEMO CC(C)(C)C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000096300488 384450955 /nfs/dbraw/zinc/45/09/55/384450955.db2.gz SPPXJHQQQIHSGX-UHFFFAOYSA-N 1 1 229.367 3.865 10 0 BHAEMO c1ccc([C@H](c2ccncc2)[N@@H+]2C=CC=CC2)cc1 ZINC000098179798 188322285 /nfs/dbraw/zinc/32/22/85/188322285.db2.gz MMMDOAVUOGZNRM-QGZVFWFLSA-N 1 1 248.329 3.557 10 0 BHAEMO C=C1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000100342225 191063044 /nfs/dbraw/zinc/06/30/44/191063044.db2.gz YYMMLKDVECDPSK-UHFFFAOYSA-N 1 1 235.330 3.716 10 0 BHAEMO CCn1c(N)c(-c2ccccc2C)[nH+]c1C(C)C ZINC000103501703 172134884 /nfs/dbraw/zinc/13/48/84/172134884.db2.gz WORSSJYSQQJWGG-UHFFFAOYSA-N 1 1 243.354 3.584 10 0 BHAEMO CCNc1cc(C2CC2)[nH+]c2cc(F)c(F)cc12 ZINC000103966893 170171792 /nfs/dbraw/zinc/17/17/92/170171792.db2.gz YBIKBHPQRKTVLR-UHFFFAOYSA-N 1 1 248.276 3.822 10 0 BHAEMO CCCCC[C@H](CN)[N@@H+](CCCCC)C(C)C ZINC000103975658 168745135 /nfs/dbraw/zinc/74/51/35/168745135.db2.gz YJQNADOJLNHCRE-OAHLLOKOSA-N 1 1 242.451 3.795 10 0 BHAEMO CCC[C@@H](C)C[N@@H+](CCC)C(CC)(CC)CN ZINC000103990331 169357362 /nfs/dbraw/zinc/35/73/62/169357362.db2.gz LWTBHIOFVIOSOX-CQSZACIVSA-N 1 1 242.451 3.652 10 0 BHAEMO CCc1[nH+]c2c(F)ccc(C)c2c(NC)c1C ZINC000104158437 172009443 /nfs/dbraw/zinc/00/94/43/172009443.db2.gz BUIBHMYLECKHEU-UHFFFAOYSA-N 1 1 232.302 3.595 10 0 BHAEMO CCCNc1[nH+]c2cc(C)cc(C)c2cc1C ZINC000104179534 169297206 /nfs/dbraw/zinc/29/72/06/169297206.db2.gz QXBJLLAKWNPMQU-UHFFFAOYSA-N 1 1 228.339 3.982 10 0 BHAEMO CCCC[C@H](CC)c1[nH]c2c(cccc2N)[nH+]1 ZINC000104198056 169000716 /nfs/dbraw/zinc/00/07/16/169000716.db2.gz FSPVYQMCJBETNU-JTQLQIEISA-N 1 1 231.343 3.829 10 0 BHAEMO C[C@@H]1CCC[N@@H+](CCCNc2ccccc2)CC1 ZINC000104367392 176097839 /nfs/dbraw/zinc/09/78/39/176097839.db2.gz AUONOTCZKPMYCZ-OAHLLOKOSA-N 1 1 246.398 3.611 10 0 BHAEMO C[C@H]1CCC[N@@H+](CCCNc2ccccc2)CC1 ZINC000104367394 177097473 /nfs/dbraw/zinc/09/74/73/177097473.db2.gz AUONOTCZKPMYCZ-HNNXBMFYSA-N 1 1 246.398 3.611 10 0 BHAEMO CCc1[nH+]ccn1[C@@H]1CCCC[C@@H]1CC ZINC000104388049 172029672 /nfs/dbraw/zinc/02/96/72/172029672.db2.gz YCQMYNLEUOSTEC-NWDGAFQWSA-N 1 1 206.333 3.587 10 0 BHAEMO CCc1[nH+]ccn1[C@H]1CCCC[C@@H]1CC ZINC000104388052 172029716 /nfs/dbraw/zinc/02/97/16/172029716.db2.gz YCQMYNLEUOSTEC-RYUDHWBXSA-N 1 1 206.333 3.587 10 0 BHAEMO CCc1[nH+]ccn1[C@@H]1CCCC[C@H]1CC ZINC000104388055 172029812 /nfs/dbraw/zinc/02/98/12/172029812.db2.gz YCQMYNLEUOSTEC-VXGBXAGGSA-N 1 1 206.333 3.587 10 0 BHAEMO CCc1[nH+]ccn1[C@H]1CCCC[C@H]1CC ZINC000104388058 172029243 /nfs/dbraw/zinc/02/92/43/172029243.db2.gz YCQMYNLEUOSTEC-NEPJUHHUSA-N 1 1 206.333 3.587 10 0 BHAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000114201166 387614279 /nfs/dbraw/zinc/61/42/79/387614279.db2.gz MYVZVUITSPENIF-HNNXBMFYSA-N 1 1 247.386 3.517 10 0 BHAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000114201167 387613288 /nfs/dbraw/zinc/61/32/88/387613288.db2.gz MYVZVUITSPENIF-OAHLLOKOSA-N 1 1 247.386 3.517 10 0 BHAEMO CC[C@@H](c1[nH]cc[nH+]1)c1cccc(C)c1C ZINC000114415086 368938549 /nfs/dbraw/zinc/93/85/49/368938549.db2.gz SECBLXWHNPOEFB-GFCCVEGCSA-N 1 1 214.312 3.568 10 0 BHAEMO CC[C@H](c1[nH]cc[nH+]1)c1cccc(C)c1C ZINC000114415088 368938862 /nfs/dbraw/zinc/93/88/62/368938862.db2.gz SECBLXWHNPOEFB-LBPRGKRZSA-N 1 1 214.312 3.568 10 0 BHAEMO CCCc1cccc([C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000114418197 368939041 /nfs/dbraw/zinc/93/90/41/368939041.db2.gz SGSLILWHXFCHJR-GFCCVEGCSA-N 1 1 228.339 3.822 10 0 BHAEMO CCCc1cccc([C@H](C)c2[nH]cc[nH+]2)c1C ZINC000114418199 368938850 /nfs/dbraw/zinc/93/88/50/368938850.db2.gz SGSLILWHXFCHJR-LBPRGKRZSA-N 1 1 228.339 3.822 10 0 BHAEMO Cc1cccc([C@@H](C)c2[nH]cc[nH+]2)c1C(F)F ZINC000114419056 368938090 /nfs/dbraw/zinc/93/80/90/368938090.db2.gz YJAYIMVQFIIHBR-SECBINFHSA-N 1 1 236.265 3.808 10 0 BHAEMO Cc1cccc([C@H](C)c2[nH]cc[nH+]2)c1C(F)F ZINC000114419058 368939084 /nfs/dbraw/zinc/93/90/84/368939084.db2.gz YJAYIMVQFIIHBR-VIFPVBQESA-N 1 1 236.265 3.808 10 0 BHAEMO CCc1cccc2cccc(Cc3[nH]cc[nH+]3)c21 ZINC000114912201 368957622 /nfs/dbraw/zinc/95/76/22/368957622.db2.gz QDWPCKIJQQLTJA-UHFFFAOYSA-N 1 1 236.318 3.716 10 0 BHAEMO Cc1c(C)c(C)c(Cc2[nH]cc[nH+]2)c(C)c1C ZINC000114912482 368957911 /nfs/dbraw/zinc/95/79/11/368957911.db2.gz GPWGJRLBEOVYDF-UHFFFAOYSA-N 1 1 228.339 3.543 10 0 BHAEMO CCc1ccc(Cl)c(CC)c1Cc1[nH]cc[nH+]1 ZINC000114913675 368957812 /nfs/dbraw/zinc/95/78/12/368957812.db2.gz DAUIGXKYWGLAFP-UHFFFAOYSA-N 1 1 248.757 3.779 10 0 BHAEMO C[N@H+]1CC[C@@H](c2ccccc2)c2ccccc2C1 ZINC000115652811 348608462 /nfs/dbraw/zinc/60/84/62/348608462.db2.gz JUDFPLFJXMPVJA-KRWDZBQOSA-N 1 1 237.346 3.654 10 0 BHAEMO C[N@H+]1CC[C@H](c2ccccc2)c2ccccc2C1 ZINC000115652813 348608487 /nfs/dbraw/zinc/60/84/87/348608487.db2.gz JUDFPLFJXMPVJA-QGZVFWFLSA-N 1 1 237.346 3.654 10 0 BHAEMO CC(C)(C)CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116287424 370750901 /nfs/dbraw/zinc/75/09/01/370750901.db2.gz DZDRRHGRHHEGHZ-GFCCVEGCSA-N 1 1 221.344 3.853 10 0 BHAEMO CC(C)(C)CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116287427 370751494 /nfs/dbraw/zinc/75/14/94/370751494.db2.gz DZDRRHGRHHEGHZ-LBPRGKRZSA-N 1 1 221.344 3.853 10 0 BHAEMO Fc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116287650 386930761 /nfs/dbraw/zinc/93/07/61/386930761.db2.gz JONFFXLGHSUHGT-AWEZNQCLSA-N 1 1 245.297 3.756 10 0 BHAEMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116287652 386930435 /nfs/dbraw/zinc/93/04/35/386930435.db2.gz JONFFXLGHSUHGT-CQSZACIVSA-N 1 1 245.297 3.756 10 0 BHAEMO c1coc([C@@H]2CCC[N@@H+]2CC2CCCC2)c1 ZINC000116287713 386930379 /nfs/dbraw/zinc/93/03/79/386930379.db2.gz WMDOHYMXHDQDAX-ZDUSSCGKSA-N 1 1 219.328 3.607 10 0 BHAEMO c1coc([C@H]2CCC[N@@H+]2CC2CCCC2)c1 ZINC000116287716 183513583 /nfs/dbraw/zinc/51/35/83/183513583.db2.gz WMDOHYMXHDQDAX-CYBMUJFWSA-N 1 1 219.328 3.607 10 0 BHAEMO c1coc([C@H]2CCC[N@@H+]2CCc2ccccc2)c1 ZINC000116288120 183391631 /nfs/dbraw/zinc/39/16/31/183391631.db2.gz SOPAGSZMAZXOAD-OAHLLOKOSA-N 1 1 241.334 3.659 10 0 BHAEMO c1coc([C@@H]2CCC[N@@H+]2CCc2ccccc2)c1 ZINC000116288124 183391041 /nfs/dbraw/zinc/39/10/41/183391041.db2.gz SOPAGSZMAZXOAD-HNNXBMFYSA-N 1 1 241.334 3.659 10 0 BHAEMO c1coc([C@@H]2CCC[N@@H+]2CCc2cccs2)c1 ZINC000116290208 588975458 /nfs/dbraw/zinc/97/54/58/588975458.db2.gz NGXVIFRLAWZTPB-ZDUSSCGKSA-N 1 1 247.363 3.721 10 0 BHAEMO c1coc([C@H]2CCC[N@@H+]2CCc2cccs2)c1 ZINC000116290210 588975417 /nfs/dbraw/zinc/97/54/17/588975417.db2.gz NGXVIFRLAWZTPB-CYBMUJFWSA-N 1 1 247.363 3.721 10 0 BHAEMO Fc1ccccc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290377 181012155 /nfs/dbraw/zinc/01/21/55/181012155.db2.gz HTAZWEYQNUVTGW-CQSZACIVSA-N 1 1 245.297 3.756 10 0 BHAEMO Fc1ccccc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116290380 181011259 /nfs/dbraw/zinc/01/12/59/181011259.db2.gz HTAZWEYQNUVTGW-AWEZNQCLSA-N 1 1 245.297 3.756 10 0 BHAEMO Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116292435 179273541 /nfs/dbraw/zinc/27/35/41/179273541.db2.gz UPVVFIAVPIBPDL-OAHLLOKOSA-N 1 1 241.334 3.925 10 0 BHAEMO Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116292439 179274014 /nfs/dbraw/zinc/27/40/14/179274014.db2.gz UPVVFIAVPIBPDL-HNNXBMFYSA-N 1 1 241.334 3.925 10 0 BHAEMO Fc1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116296827 386933260 /nfs/dbraw/zinc/93/32/60/386933260.db2.gz IZWVUBMXWMVQBT-CQSZACIVSA-N 1 1 245.297 3.756 10 0 BHAEMO Fc1cccc(C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116296831 386932857 /nfs/dbraw/zinc/93/28/57/386932857.db2.gz IZWVUBMXWMVQBT-AWEZNQCLSA-N 1 1 245.297 3.756 10 0 BHAEMO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2F)o1 ZINC000116912378 387468184 /nfs/dbraw/zinc/46/81/84/387468184.db2.gz ZWLNWBYDFYYFEP-LBPRGKRZSA-N 1 1 247.313 3.886 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2F)o1 ZINC000116912380 387469203 /nfs/dbraw/zinc/46/92/03/387469203.db2.gz ZWLNWBYDFYYFEP-GFCCVEGCSA-N 1 1 247.313 3.886 10 0 BHAEMO CCCCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000117876275 387030585 /nfs/dbraw/zinc/03/05/85/387030585.db2.gz NXERGDNZVQAOCF-GFCCVEGCSA-N 1 1 238.400 3.860 10 0 BHAEMO CCCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000117876278 387031752 /nfs/dbraw/zinc/03/17/52/387031752.db2.gz NXERGDNZVQAOCF-LBPRGKRZSA-N 1 1 238.400 3.860 10 0 BHAEMO CCCCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000117884335 388725930 /nfs/dbraw/zinc/72/59/30/388725930.db2.gz JPENOTYGNNCMPJ-GFCCVEGCSA-N 1 1 207.317 3.607 10 0 BHAEMO CCCCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000117884338 388725917 /nfs/dbraw/zinc/72/59/17/388725917.db2.gz JPENOTYGNNCMPJ-LBPRGKRZSA-N 1 1 207.317 3.607 10 0 BHAEMO Cc1ccc([PH+](C(C)C)C(C)C)cc1 ZINC000118304536 342748032 /nfs/dbraw/zinc/74/80/32/342748032.db2.gz GUHBYYXRMWTEOP-UHFFFAOYSA-N 1 1 208.285 3.919 10 0 BHAEMO CC(C)c1ccc(NCc2ccccc2)[nH+]c1 ZINC000118468509 397964877 /nfs/dbraw/zinc/96/48/77/397964877.db2.gz RZSQEDIGTNREGN-UHFFFAOYSA-N 1 1 226.323 3.817 10 0 BHAEMO CC[C@@H](C)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000119599090 387143768 /nfs/dbraw/zinc/14/37/68/387143768.db2.gz OLYZRMYPPLTILO-VXGBXAGGSA-N 1 1 238.400 3.716 10 0 BHAEMO CC[C@H](C)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000119599221 171279036 /nfs/dbraw/zinc/27/90/36/171279036.db2.gz OLYZRMYPPLTILO-NWDGAFQWSA-N 1 1 238.400 3.716 10 0 BHAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000120039018 387151347 /nfs/dbraw/zinc/15/13/47/387151347.db2.gz KHSCZSWLBOMYOG-HNNXBMFYSA-N 1 1 247.386 3.517 10 0 BHAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000120039151 387151362 /nfs/dbraw/zinc/15/13/62/387151362.db2.gz KHSCZSWLBOMYOG-OAHLLOKOSA-N 1 1 247.386 3.517 10 0 BHAEMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc2ccccc2n1 ZINC000123266215 177187392 /nfs/dbraw/zinc/18/73/92/177187392.db2.gz WVIHZPMVTJFUDN-BETUJISGSA-N 1 1 240.350 3.608 10 0 BHAEMO CC1(C)CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000124478960 358517431 /nfs/dbraw/zinc/51/74/31/358517431.db2.gz MJXKOGLHTOALRJ-UHFFFAOYSA-N 1 1 240.350 3.609 10 0 BHAEMO CCC[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000124523052 388662937 /nfs/dbraw/zinc/66/29/37/388662937.db2.gz XHSFSQXXOQRLIE-UHFFFAOYSA-N 1 1 240.350 3.609 10 0 BHAEMO CCC[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124733110 169191586 /nfs/dbraw/zinc/19/15/86/169191586.db2.gz BPCKNMIIIQNNIF-GFCCVEGCSA-N 1 1 207.317 3.525 10 0 BHAEMO CCC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124733391 169191694 /nfs/dbraw/zinc/19/16/94/169191694.db2.gz BPCKNMIIIQNNIF-LBPRGKRZSA-N 1 1 207.317 3.525 10 0 BHAEMO CCc1cnc([C@@H](C)Nc2cccc(C)[nH+]2)s1 ZINC000125005846 353173515 /nfs/dbraw/zinc/17/35/15/353173515.db2.gz HMIBLXVTVJMHJE-SNVBAGLBSA-N 1 1 247.367 3.582 10 0 BHAEMO CCc1cnc([C@H](C)Nc2cccc(C)[nH+]2)s1 ZINC000125006059 353173519 /nfs/dbraw/zinc/17/35/19/353173519.db2.gz HMIBLXVTVJMHJE-JTQLQIEISA-N 1 1 247.367 3.582 10 0 BHAEMO CC(C)c1ccccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127677346 490552436 /nfs/dbraw/zinc/55/24/36/490552436.db2.gz OWOMPNRISBNKLO-ZIAGYGMSSA-N 1 1 246.398 3.705 10 0 BHAEMO CC(C)c1ccccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000127677578 490552675 /nfs/dbraw/zinc/55/26/75/490552675.db2.gz OWOMPNRISBNKLO-UONOGXRCSA-N 1 1 246.398 3.705 10 0 BHAEMO CC(C)c1ccccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127677783 490552089 /nfs/dbraw/zinc/55/20/89/490552089.db2.gz OWOMPNRISBNKLO-KGLIPLIRSA-N 1 1 246.398 3.705 10 0 BHAEMO CC(C)c1ccccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000127678043 490552540 /nfs/dbraw/zinc/55/25/40/490552540.db2.gz OWOMPNRISBNKLO-KBPBESRZSA-N 1 1 246.398 3.705 10 0 BHAEMO CC[C@@H](C)C[N@@H+](CC)Cc1cccc2c1NCC2 ZINC000130582554 325068582 /nfs/dbraw/zinc/06/85/82/325068582.db2.gz TUCANINZPXWYNA-CYBMUJFWSA-N 1 1 246.398 3.523 10 0 BHAEMO CC[C@H](C)C[N@@H+](CC)Cc1cccc2c1NCC2 ZINC000130582791 325068697 /nfs/dbraw/zinc/06/86/97/325068697.db2.gz TUCANINZPXWYNA-ZDUSSCGKSA-N 1 1 246.398 3.523 10 0 BHAEMO c1cc2cc[nH+]cc2c(NCC2CCCC2)c1 ZINC000131068252 325112616 /nfs/dbraw/zinc/11/26/16/325112616.db2.gz WAMSOISDNAEFOG-UHFFFAOYSA-N 1 1 226.323 3.837 10 0 BHAEMO c1ccc(CCNc2cccc3cc[nH+]cc32)cc1 ZINC000131124171 325119766 /nfs/dbraw/zinc/11/97/66/325119766.db2.gz NAUKSLQRMISGTF-UHFFFAOYSA-N 1 1 248.329 3.889 10 0 BHAEMO Cc1cc(N)[nH+]cc1-c1ccc(C2CCC2)cc1 ZINC000133382999 411733505 /nfs/dbraw/zinc/73/35/05/411733505.db2.gz PUXOCCJAFWIYFX-UHFFFAOYSA-N 1 1 238.334 3.907 10 0 BHAEMO Cc1[nH+]c(N)ccc1-c1ccc(C2CCC2)cc1 ZINC000133384923 411736425 /nfs/dbraw/zinc/73/64/25/411736425.db2.gz QXNPXHMMBCCQHG-UHFFFAOYSA-N 1 1 238.334 3.907 10 0 BHAEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCCF)o1 ZINC000133528056 136750090 /nfs/dbraw/zinc/75/00/90/136750090.db2.gz RSDJYCYIIWKSAE-ZDUSSCGKSA-N 1 1 239.334 3.729 10 0 BHAEMO CCc1ccc([C@H]2CCCC[N@H+]2CCCF)o1 ZINC000133528264 358758205 /nfs/dbraw/zinc/75/82/05/358758205.db2.gz RSDJYCYIIWKSAE-CYBMUJFWSA-N 1 1 239.334 3.729 10 0 BHAEMO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2nccs2)c1 ZINC000134218506 358784126 /nfs/dbraw/zinc/78/41/26/358784126.db2.gz OFWSFPFNZMXYLW-VXGBXAGGSA-N 1 1 246.379 3.863 10 0 BHAEMO Cc1cccc([C@H](C)[NH2+][C@H](C)c2nccs2)c1 ZINC000134218528 358783774 /nfs/dbraw/zinc/78/37/74/358783774.db2.gz OFWSFPFNZMXYLW-NWDGAFQWSA-N 1 1 246.379 3.863 10 0 BHAEMO CCc1cnc([C@@H](C)Nc2cc(C)cc[nH+]2)s1 ZINC000135033069 353529379 /nfs/dbraw/zinc/52/93/79/353529379.db2.gz KPJQASMYAHVVSB-SNVBAGLBSA-N 1 1 247.367 3.582 10 0 BHAEMO CCc1cnc([C@H](C)Nc2cc(C)cc[nH+]2)s1 ZINC000135033089 353529339 /nfs/dbraw/zinc/52/93/39/353529339.db2.gz KPJQASMYAHVVSB-JTQLQIEISA-N 1 1 247.367 3.582 10 0 BHAEMO C=C([NH2+]C1CCCCC1)c1cc(F)cc(F)c1 ZINC000139673914 344432106 /nfs/dbraw/zinc/43/21/06/344432106.db2.gz FGXMWSNQEJTQFW-UHFFFAOYSA-N 1 1 237.293 3.858 10 0 BHAEMO CC(C)[N@H+]1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000141443287 372954060 /nfs/dbraw/zinc/95/40/60/372954060.db2.gz LOWNWWMKORAMJH-AWEZNQCLSA-N 1 1 235.346 3.804 10 0 BHAEMO CC(C)[N@H+]1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000141443469 372953305 /nfs/dbraw/zinc/95/33/05/372953305.db2.gz LOWNWWMKORAMJH-CQSZACIVSA-N 1 1 235.346 3.804 10 0 BHAEMO CC(C)[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC000142686895 343111934 /nfs/dbraw/zinc/11/19/34/343111934.db2.gz GANXNKHZDHCLHM-NSHDSACASA-N 1 1 223.747 3.538 10 0 BHAEMO CC(C)[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC000142687127 373832481 /nfs/dbraw/zinc/83/24/81/373832481.db2.gz GANXNKHZDHCLHM-LLVKDONJSA-N 1 1 223.747 3.538 10 0 BHAEMO C[N@@H+]1C(C)(C)C=C(c2ccc(O)cc2)CC1(C)C ZINC000143383399 343124014 /nfs/dbraw/zinc/12/40/14/343124014.db2.gz DADMICSIHINLHB-UHFFFAOYSA-N 1 1 245.366 3.668 10 0 BHAEMO CC(C)[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000144739968 343137707 /nfs/dbraw/zinc/13/77/07/343137707.db2.gz CGYNDIDEPOLBET-INIZCTEOSA-N 1 1 231.383 3.945 10 0 BHAEMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000144758770 343138064 /nfs/dbraw/zinc/13/80/64/343138064.db2.gz VTRVYSMNWLMPOO-AWEZNQCLSA-N 1 1 237.346 3.806 10 0 BHAEMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000144758968 384624596 /nfs/dbraw/zinc/62/45/96/384624596.db2.gz VTRVYSMNWLMPOO-CQSZACIVSA-N 1 1 237.346 3.806 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000145806569 344522595 /nfs/dbraw/zinc/52/25/95/344522595.db2.gz LLZSZAHOVXBWRD-OAHLLOKOSA-N 1 1 247.382 3.504 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1ccc(CO)cc1 ZINC000145806752 344522608 /nfs/dbraw/zinc/52/26/08/344522608.db2.gz LLZSZAHOVXBWRD-HNNXBMFYSA-N 1 1 247.382 3.504 10 0 BHAEMO CC[N@H+]1CCCC[C@H]1c1ccccc1Cl ZINC000145807389 344521946 /nfs/dbraw/zinc/52/19/46/344521946.db2.gz ASZHWNWZHCENBG-ZDUSSCGKSA-N 1 1 223.747 3.887 10 0 BHAEMO CC(C)(C)c1ccc(NCc2ccccc2)[nH+]c1 ZINC000149841133 346506376 /nfs/dbraw/zinc/50/63/76/346506376.db2.gz KQDIZPWDQSHLMS-UHFFFAOYSA-N 1 1 240.350 3.991 10 0 BHAEMO Cc1ccc([C@@H]2CCCC[N@H+]2CC2CC2)o1 ZINC000156508580 345170913 /nfs/dbraw/zinc/17/09/13/345170913.db2.gz YTHQHFNNTJEWEH-ZDUSSCGKSA-N 1 1 219.328 3.525 10 0 BHAEMO Cc1ccc([C@H]2CCCC[N@H+]2CC2CC2)o1 ZINC000156508698 345171259 /nfs/dbraw/zinc/17/12/59/345171259.db2.gz YTHQHFNNTJEWEH-CYBMUJFWSA-N 1 1 219.328 3.525 10 0 BHAEMO Cc1cccc(N(C)[C@@H](C)Cc2ccsc2)[nH+]1 ZINC000157843335 385292737 /nfs/dbraw/zinc/29/27/37/385292737.db2.gz LYGOEGVBPJLEGP-LBPRGKRZSA-N 1 1 246.379 3.519 10 0 BHAEMO Cc1cccc(N(C)[C@H](C)Cc2ccsc2)[nH+]1 ZINC000157843485 385292409 /nfs/dbraw/zinc/29/24/09/385292409.db2.gz LYGOEGVBPJLEGP-GFCCVEGCSA-N 1 1 246.379 3.519 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)o1 ZINC000158167082 385552126 /nfs/dbraw/zinc/55/21/26/385552126.db2.gz FARJJTWVUTVVTF-GHMZBOCLSA-N 1 1 248.301 3.534 10 0 BHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cncc(F)c2)o1 ZINC000158167214 385551219 /nfs/dbraw/zinc/55/12/19/385551219.db2.gz FARJJTWVUTVVTF-MNOVXSKESA-N 1 1 248.301 3.534 10 0 BHAEMO CC(C)[N@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000165613249 343938115 /nfs/dbraw/zinc/93/81/15/343938115.db2.gz IPIRWMDFILLAEV-CQSZACIVSA-N 1 1 221.319 3.761 10 0 BHAEMO CC(C)[N@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000165613373 343937941 /nfs/dbraw/zinc/93/79/41/343937941.db2.gz IPIRWMDFILLAEV-AWEZNQCLSA-N 1 1 221.319 3.761 10 0 BHAEMO CC1=C2CC[N@H+](C)C[C@H]2c2cc(Cl)ccc21 ZINC000166539733 343675417 /nfs/dbraw/zinc/67/54/17/343675417.db2.gz CFHYWCPYINQONE-CQSZACIVSA-N 1 1 233.742 3.546 10 0 BHAEMO CC1=C2CC[N@@H+](C)C[C@H]2c2cc(Cl)ccc21 ZINC000166539733 343675415 /nfs/dbraw/zinc/67/54/15/343675415.db2.gz CFHYWCPYINQONE-CQSZACIVSA-N 1 1 233.742 3.546 10 0 BHAEMO CC1=C2CC[N@H+](C)C[C@@H]2c2cc(Cl)ccc21 ZINC000166539860 343675208 /nfs/dbraw/zinc/67/52/08/343675208.db2.gz CFHYWCPYINQONE-AWEZNQCLSA-N 1 1 233.742 3.546 10 0 BHAEMO CC1=C2CC[N@@H+](C)C[C@@H]2c2cc(Cl)ccc21 ZINC000166539860 343675207 /nfs/dbraw/zinc/67/52/07/343675207.db2.gz CFHYWCPYINQONE-AWEZNQCLSA-N 1 1 233.742 3.546 10 0 BHAEMO COc1cccc([C@@H]2CCC[N@H+](C(C)(C)C)C2)c1 ZINC000166876047 345925410 /nfs/dbraw/zinc/92/54/10/345925410.db2.gz GHXNMADYTZOUAI-CQSZACIVSA-N 1 1 247.382 3.673 10 0 BHAEMO COc1cccc([C@H]2CCC[N@H+](C(C)(C)C)C2)c1 ZINC000166876157 345925042 /nfs/dbraw/zinc/92/50/42/345925042.db2.gz GHXNMADYTZOUAI-AWEZNQCLSA-N 1 1 247.382 3.673 10 0 BHAEMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000166907928 344369578 /nfs/dbraw/zinc/36/95/78/344369578.db2.gz GRPBLVJEUQLBRM-CQSZACIVSA-N 1 1 247.382 3.707 10 0 BHAEMO CCC[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000166908046 344369546 /nfs/dbraw/zinc/36/95/46/344369546.db2.gz GRPBLVJEUQLBRM-AWEZNQCLSA-N 1 1 247.382 3.707 10 0 BHAEMO CC(C)CCC(=O)CC[N@@H+](C)Cc1ccccc1 ZINC000167432010 488194404 /nfs/dbraw/zinc/19/44/04/488194404.db2.gz YGYYFEOXKGFGTP-UHFFFAOYSA-N 1 1 247.382 3.514 10 0 BHAEMO CC(C)[C@H]1c2ccccc2CC[N@H+]1C(C)C ZINC000167472148 346251937 /nfs/dbraw/zinc/25/19/37/346251937.db2.gz HZBYXEXVFIFEMM-HNNXBMFYSA-N 1 1 217.356 3.650 10 0 BHAEMO CC(C)[C@@H]1c2ccccc2CC[N@H+]1C(C)C ZINC000167472267 346252017 /nfs/dbraw/zinc/25/20/17/346252017.db2.gz HZBYXEXVFIFEMM-OAHLLOKOSA-N 1 1 217.356 3.650 10 0 BHAEMO CC[C@@H](c1ccccc1)[N@H+]1CCS[C@H](C)C1 ZINC000171686354 365226007 /nfs/dbraw/zinc/22/60/07/365226007.db2.gz MEGUZIAFUYMGNN-OCCSQVGLSA-N 1 1 235.396 3.575 10 0 BHAEMO CC[C@H](c1ccccc1)[N@H+]1CCS[C@H](C)C1 ZINC000171686357 365225284 /nfs/dbraw/zinc/22/52/84/365225284.db2.gz MEGUZIAFUYMGNN-TZMCWYRMSA-N 1 1 235.396 3.575 10 0 BHAEMO c1csc([C@@H]2CCCC[N@H+]2[C@H]2C=CCCC2)n1 ZINC000171735801 188338710 /nfs/dbraw/zinc/33/87/10/188338710.db2.gz LIZHKHCFJCQBHU-STQMWFEESA-N 1 1 248.395 3.779 10 0 BHAEMO c1csc([C@H]2CCCC[N@H+]2[C@H]2C=CCCC2)n1 ZINC000171735805 385514099 /nfs/dbraw/zinc/51/40/99/385514099.db2.gz LIZHKHCFJCQBHU-QWHCGFSZSA-N 1 1 248.395 3.779 10 0 BHAEMO c1coc([C@@H]2CCC[N@H+]2[C@H]2C=CCCC2)c1 ZINC000172030211 134264446 /nfs/dbraw/zinc/26/44/46/134264446.db2.gz XAIDMXGBBSSDRU-STQMWFEESA-N 1 1 217.312 3.525 10 0 BHAEMO c1coc([C@H]2CCC[N@H+]2[C@H]2C=CCCC2)c1 ZINC000172030214 134264563 /nfs/dbraw/zinc/26/45/63/134264563.db2.gz XAIDMXGBBSSDRU-QWHCGFSZSA-N 1 1 217.312 3.525 10 0 BHAEMO CC(C)[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000172414990 384584171 /nfs/dbraw/zinc/58/41/71/384584171.db2.gz KFKADZMXWHQAAX-UHFFFAOYSA-N 1 1 240.350 3.608 10 0 BHAEMO Clc1c[nH+]ccc1N1CCC[C@H]1c1ccco1 ZINC000176932401 134295113 /nfs/dbraw/zinc/29/51/13/134295113.db2.gz HAWJICFIDQQADQ-LBPRGKRZSA-N 1 1 248.713 3.670 10 0 BHAEMO Clc1c[nH+]ccc1N1CCC[C@@H]1c1ccco1 ZINC000176932418 134295066 /nfs/dbraw/zinc/29/50/66/134295066.db2.gz HAWJICFIDQQADQ-GFCCVEGCSA-N 1 1 248.713 3.670 10 0 BHAEMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000177188020 365986448 /nfs/dbraw/zinc/98/64/48/365986448.db2.gz ZALZCQKEIKBVRK-GXTWGEPZSA-N 1 1 242.322 3.573 10 0 BHAEMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000177188031 365986304 /nfs/dbraw/zinc/98/63/04/365986304.db2.gz ZALZCQKEIKBVRK-TZMCWYRMSA-N 1 1 242.322 3.573 10 0 BHAEMO CC/C=C/CC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000184396249 388576546 /nfs/dbraw/zinc/57/65/46/388576546.db2.gz LXJOUUREGIKMKE-UFFNRZRYSA-N 1 1 235.293 3.617 10 0 BHAEMO CC/C=C/CC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000184396271 256845726 /nfs/dbraw/zinc/84/57/26/256845726.db2.gz LXJOUUREGIKMKE-PGLGOXFNSA-N 1 1 235.293 3.617 10 0 BHAEMO CC/C=C/CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000184559331 388579101 /nfs/dbraw/zinc/57/91/01/388579101.db2.gz XIHJGBDPHPQMMU-ITDFMYJTSA-N 1 1 219.328 3.773 10 0 BHAEMO CC/C=C/CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000184559354 388578957 /nfs/dbraw/zinc/57/89/57/388578957.db2.gz XIHJGBDPHPQMMU-OOPCZODUSA-N 1 1 219.328 3.773 10 0 BHAEMO CCC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000192741876 388683757 /nfs/dbraw/zinc/68/37/57/388683757.db2.gz CCAOHDVNZLXFRZ-VXGBXAGGSA-N 1 1 207.317 3.605 10 0 BHAEMO CCC[C@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000192741890 388683848 /nfs/dbraw/zinc/68/38/48/388683848.db2.gz CCAOHDVNZLXFRZ-NWDGAFQWSA-N 1 1 207.317 3.605 10 0 BHAEMO CC(C)CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195360805 387909807 /nfs/dbraw/zinc/90/98/07/387909807.db2.gz OMMNYDHDWMTQBA-GFCCVEGCSA-N 1 1 238.400 3.716 10 0 BHAEMO CC(C)CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195360812 387910302 /nfs/dbraw/zinc/91/03/02/387910302.db2.gz OMMNYDHDWMTQBA-LBPRGKRZSA-N 1 1 238.400 3.716 10 0 BHAEMO CC(C)=CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195363342 387911967 /nfs/dbraw/zinc/91/19/67/387911967.db2.gz SSYZZBUGMAMNOI-GFCCVEGCSA-N 1 1 236.384 3.636 10 0 BHAEMO CC(C)=CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195363342 387911962 /nfs/dbraw/zinc/91/19/62/387911962.db2.gz SSYZZBUGMAMNOI-GFCCVEGCSA-N 1 1 236.384 3.636 10 0 BHAEMO CC(C)=CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195363348 387911144 /nfs/dbraw/zinc/91/11/44/387911144.db2.gz SSYZZBUGMAMNOI-LBPRGKRZSA-N 1 1 236.384 3.636 10 0 BHAEMO CC(C)=CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195363348 387911141 /nfs/dbraw/zinc/91/11/41/387911141.db2.gz SSYZZBUGMAMNOI-LBPRGKRZSA-N 1 1 236.384 3.636 10 0 BHAEMO CCOC(=[NH2+])Cc1cc2ccccc2cc1C ZINC000196864385 348039562 /nfs/dbraw/zinc/03/95/62/348039562.db2.gz BHZFRGIUCYNTQT-UHFFFAOYSA-N 1 1 227.307 3.704 10 0 BHAEMO Cc1ccccc1[C@@H](C)[NH2+]C/C(Cl)=C\Cl ZINC000211237046 591148860 /nfs/dbraw/zinc/14/88/60/591148860.db2.gz ROWDSDCDHUWZJY-UEUZTHOGSA-N 1 1 244.165 3.965 10 0 BHAEMO Cc1ccccc1[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC000211237096 591149224 /nfs/dbraw/zinc/14/92/24/591149224.db2.gz ROWDSDCDHUWZJY-VUBLIPMDSA-N 1 1 244.165 3.965 10 0 BHAEMO CCC[N@H+]1CCC[C@H](c2cccc(SC)c2)C1 ZINC000215404712 344125425 /nfs/dbraw/zinc/12/54/25/344125425.db2.gz DQQBAKJEWKQXPD-AWEZNQCLSA-N 1 1 249.423 3.998 10 0 BHAEMO CC[C@@H]1CCCC[N@H+]1C1=CC[C@@H](C)CC1 ZINC000216107446 523167706 /nfs/dbraw/zinc/16/77/06/523167706.db2.gz GQVOWWRAEMUFLJ-CHWSQXEVSA-N 1 1 207.361 3.955 10 0 BHAEMO CC[C@H]1CCCC[N@H+]1C1=CC[C@@H](C)CC1 ZINC000216107487 523017192 /nfs/dbraw/zinc/01/71/92/523017192.db2.gz GQVOWWRAEMUFLJ-OLZOCXBDSA-N 1 1 207.361 3.955 10 0 BHAEMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000220887658 134313398 /nfs/dbraw/zinc/31/33/98/134313398.db2.gz DDASHROJQASRSX-QWHCGFSZSA-N 1 1 244.338 3.703 10 0 BHAEMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000220887715 134313391 /nfs/dbraw/zinc/31/33/91/134313391.db2.gz DDASHROJQASRSX-STQMWFEESA-N 1 1 244.338 3.703 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@@H]1c1cccc(N)c1 ZINC000222885836 351142997 /nfs/dbraw/zinc/14/29/97/351142997.db2.gz GZHFNFPVOWEHSJ-CQSZACIVSA-N 1 1 232.371 3.594 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1cccc(N)c1 ZINC000222885901 351143343 /nfs/dbraw/zinc/14/33/43/351143343.db2.gz GZHFNFPVOWEHSJ-AWEZNQCLSA-N 1 1 232.371 3.594 10 0 BHAEMO CCOC(=[NH2+])Cc1ccc2cc(C)ccc2c1 ZINC000225717283 368368051 /nfs/dbraw/zinc/36/80/51/368368051.db2.gz GFOSCPCHXCINRY-UHFFFAOYSA-N 1 1 227.307 3.704 10 0 BHAEMO C[C@@H]1CCCC[N@H+]1c1ccc(-n2cccc2)cc1 ZINC000226245410 132291365 /nfs/dbraw/zinc/29/13/65/132291365.db2.gz BPWCGRLYIWWINU-CQSZACIVSA-N 1 1 240.350 3.856 10 0 BHAEMO C[C@@H]1CCCC[N@@H+]1c1ccc(-n2cccc2)cc1 ZINC000226245410 132291363 /nfs/dbraw/zinc/29/13/63/132291363.db2.gz BPWCGRLYIWWINU-CQSZACIVSA-N 1 1 240.350 3.856 10 0 BHAEMO C[C@H]1CCCC[N@H+]1c1ccc(-n2cccc2)cc1 ZINC000226245418 132291513 /nfs/dbraw/zinc/29/15/13/132291513.db2.gz BPWCGRLYIWWINU-AWEZNQCLSA-N 1 1 240.350 3.856 10 0 BHAEMO C[C@H]1CCCC[N@@H+]1c1ccc(-n2cccc2)cc1 ZINC000226245418 132291511 /nfs/dbraw/zinc/29/15/11/132291511.db2.gz BPWCGRLYIWWINU-AWEZNQCLSA-N 1 1 240.350 3.856 10 0 BHAEMO CC1CC[NH+](c2ccc(-n3cccc3)cc2)CC1 ZINC000226245533 132291527 /nfs/dbraw/zinc/29/15/27/132291527.db2.gz RQHKQHLSXVASPQ-UHFFFAOYSA-N 1 1 240.350 3.714 10 0 BHAEMO Cc1cc(-n2cccc2)ccc1[NH+]1CCCCC1 ZINC000226275909 132291434 /nfs/dbraw/zinc/29/14/34/132291434.db2.gz DEEAIDRSCKHAKJ-UHFFFAOYSA-N 1 1 240.350 3.776 10 0 BHAEMO CCNc1ccc([N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000226285098 535525187 /nfs/dbraw/zinc/52/51/87/535525187.db2.gz XXUFTFQEDWSQIK-ZDUSSCGKSA-N 1 1 232.371 3.806 10 0 BHAEMO CCNc1ccc([N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000226285098 535525180 /nfs/dbraw/zinc/52/51/80/535525180.db2.gz XXUFTFQEDWSQIK-ZDUSSCGKSA-N 1 1 232.371 3.806 10 0 BHAEMO CCNc1ccc([N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000226285107 535525679 /nfs/dbraw/zinc/52/56/79/535525679.db2.gz XXUFTFQEDWSQIK-CYBMUJFWSA-N 1 1 232.371 3.806 10 0 BHAEMO CCNc1ccc([N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000226285107 535525675 /nfs/dbraw/zinc/52/56/75/535525675.db2.gz XXUFTFQEDWSQIK-CYBMUJFWSA-N 1 1 232.371 3.806 10 0 BHAEMO CCNc1ccc([NH+]2CCC(C)CC2)c(C)c1 ZINC000226285129 535525576 /nfs/dbraw/zinc/52/55/76/535525576.db2.gz OOGZPWHIERHELY-UHFFFAOYSA-N 1 1 232.371 3.663 10 0 BHAEMO CCCCC1=C[C@@H](C(C)C)[N@H+]2CCC[C@@H]12 ZINC000226556996 188254554 /nfs/dbraw/zinc/25/45/54/188254554.db2.gz LIMJJVZSJWIQEO-KBPBESRZSA-N 1 1 207.361 3.606 10 0 BHAEMO CCCCC1=C[C@H](C(C)C)[N@H+]2CCC[C@@H]12 ZINC000226557005 188182871 /nfs/dbraw/zinc/18/28/71/188182871.db2.gz LIMJJVZSJWIQEO-UONOGXRCSA-N 1 1 207.361 3.606 10 0 BHAEMO CCCC[N@H+]1CC[C@@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226858898 134370391 /nfs/dbraw/zinc/37/03/91/134370391.db2.gz SCFPJKADLMEZMY-GOEBONIOSA-N 1 1 246.398 3.609 10 0 BHAEMO CCCC[N@H+]1CC[C@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226858908 134370265 /nfs/dbraw/zinc/37/02/65/134370265.db2.gz SCFPJKADLMEZMY-HOCLYGCPSA-N 1 1 246.398 3.609 10 0 BHAEMO Cc1cc(N)[nH+]cc1-c1cccc(C2CCC2)c1 ZINC000229614592 487931608 /nfs/dbraw/zinc/93/16/08/487931608.db2.gz JRAYHEOOBUXGRR-UHFFFAOYSA-N 1 1 238.334 3.907 10 0 BHAEMO Cc1[nH+]c(N)ccc1-c1cccc(C2CCC2)c1 ZINC000229615440 487931485 /nfs/dbraw/zinc/93/14/85/487931485.db2.gz CGGMNJJDHUBGJI-UHFFFAOYSA-N 1 1 238.334 3.907 10 0 BHAEMO CCCC[N@H+]1CC[C@@H](Nc2ccccc2)C[C@H]1C ZINC000242575060 520597476 /nfs/dbraw/zinc/59/74/76/520597476.db2.gz NQMGQYQWYURUAR-GDBMZVCRSA-N 1 1 246.398 3.752 10 0 BHAEMO CCCC[N@H+]1CC[C@H](Nc2ccccc2)C[C@H]1C ZINC000242575061 520596762 /nfs/dbraw/zinc/59/67/62/520596762.db2.gz NQMGQYQWYURUAR-ZBFHGGJFSA-N 1 1 246.398 3.752 10 0 BHAEMO FC(F)(F)[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245509966 388585363 /nfs/dbraw/zinc/58/53/63/388585363.db2.gz VNTPGUNXRNZMRN-NEPJUHHUSA-N 1 1 247.304 3.617 10 0 BHAEMO FC(F)(F)[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245509967 388585530 /nfs/dbraw/zinc/58/55/30/388585530.db2.gz VNTPGUNXRNZMRN-VXGBXAGGSA-N 1 1 247.304 3.617 10 0 BHAEMO c1coc([C@@H]2CCC[N@@H+]2C[C@@H]2CC=CCC2)c1 ZINC000245738266 387980833 /nfs/dbraw/zinc/98/08/33/387980833.db2.gz LGFYXBPZLPOPGZ-KGLIPLIRSA-N 1 1 231.339 3.773 10 0 BHAEMO c1coc([C@H]2CCC[N@@H+]2C[C@@H]2CC=CCC2)c1 ZINC000245738268 387979932 /nfs/dbraw/zinc/97/99/32/387979932.db2.gz LGFYXBPZLPOPGZ-ZIAGYGMSSA-N 1 1 231.339 3.773 10 0 BHAEMO CC[C@@H](C)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000245871205 387991174 /nfs/dbraw/zinc/99/11/74/387991174.db2.gz OLYZRMYPPLTILO-NEPJUHHUSA-N 1 1 238.400 3.716 10 0 BHAEMO CC[C@H](C)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000245871210 387991142 /nfs/dbraw/zinc/99/11/42/387991142.db2.gz OLYZRMYPPLTILO-RYUDHWBXSA-N 1 1 238.400 3.716 10 0 BHAEMO CC[C@H](c1ccccc1)[N@H+]1CCS[C@@H](C)C1 ZINC000246129602 388618933 /nfs/dbraw/zinc/61/89/33/388618933.db2.gz MEGUZIAFUYMGNN-GXTWGEPZSA-N 1 1 235.396 3.575 10 0 BHAEMO CC[C@@H](c1ccccc1)[N@H+]1CCS[C@@H](C)C1 ZINC000246129617 388618830 /nfs/dbraw/zinc/61/88/30/388618830.db2.gz MEGUZIAFUYMGNN-JSGCOSHPSA-N 1 1 235.396 3.575 10 0 BHAEMO c1csc([C@H]2CCCC[N@H+]2[C@@H]2C=CCCC2)n1 ZINC000246251122 388024753 /nfs/dbraw/zinc/02/47/53/388024753.db2.gz LIZHKHCFJCQBHU-CHWSQXEVSA-N 1 1 248.395 3.779 10 0 BHAEMO c1csc([C@@H]2CCCC[N@H+]2[C@@H]2C=CCCC2)n1 ZINC000246251127 388024079 /nfs/dbraw/zinc/02/40/79/388024079.db2.gz LIZHKHCFJCQBHU-OLZOCXBDSA-N 1 1 248.395 3.779 10 0 BHAEMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246498778 388639864 /nfs/dbraw/zinc/63/98/64/388639864.db2.gz ZALZCQKEIKBVRK-JSGCOSHPSA-N 1 1 242.322 3.573 10 0 BHAEMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246498783 388640342 /nfs/dbraw/zinc/64/03/42/388640342.db2.gz ZALZCQKEIKBVRK-OCCSQVGLSA-N 1 1 242.322 3.573 10 0 BHAEMO c1coc([C@H]2CCC[N@H+]2[C@@H]2C=CCCC2)c1 ZINC000247572854 359235661 /nfs/dbraw/zinc/23/56/61/359235661.db2.gz XAIDMXGBBSSDRU-CHWSQXEVSA-N 1 1 217.312 3.525 10 0 BHAEMO c1coc([C@@H]2CCC[N@H+]2[C@@H]2C=CCCC2)c1 ZINC000247572858 359235285 /nfs/dbraw/zinc/23/52/85/359235285.db2.gz XAIDMXGBBSSDRU-OLZOCXBDSA-N 1 1 217.312 3.525 10 0 BHAEMO CCC[C@@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000249208427 388712665 /nfs/dbraw/zinc/71/26/65/388712665.db2.gz CCAOHDVNZLXFRZ-NEPJUHHUSA-N 1 1 207.317 3.605 10 0 BHAEMO CCC[C@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000249208431 388712798 /nfs/dbraw/zinc/71/27/98/388712798.db2.gz CCAOHDVNZLXFRZ-RYUDHWBXSA-N 1 1 207.317 3.605 10 0 BHAEMO C[C@H](C1CC1)[N@@H+](C/C=C/Cl)C/C=C\Cl ZINC000255363228 631338811 /nfs/dbraw/zinc/33/88/11/631338811.db2.gz MORDUKFVJCEFNV-USBIXFJHSA-N 1 1 234.170 3.592 10 0 BHAEMO CCc1nc(N[C@@H](C)c2cccs2)cc(C)[nH+]1 ZINC000287100733 359536554 /nfs/dbraw/zinc/53/65/54/359536554.db2.gz VJUDCJVOOHKUCI-JTQLQIEISA-N 1 1 247.367 3.582 10 0 BHAEMO CCc1nc(N[C@H](C)c2cccs2)cc(C)[nH+]1 ZINC000287100737 359536981 /nfs/dbraw/zinc/53/69/81/359536981.db2.gz VJUDCJVOOHKUCI-SNVBAGLBSA-N 1 1 247.367 3.582 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2F)o1 ZINC000294707535 385129436 /nfs/dbraw/zinc/12/94/36/385129436.db2.gz HCYHOKMLPJRJLG-GFCCVEGCSA-N 1 1 247.313 3.886 10 0 BHAEMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C)c2F)o1 ZINC000294707540 385130369 /nfs/dbraw/zinc/13/03/69/385130369.db2.gz HCYHOKMLPJRJLG-LBPRGKRZSA-N 1 1 247.313 3.886 10 0 BHAEMO C[C@@H]1C[C@H]1Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000301255105 384863332 /nfs/dbraw/zinc/86/33/32/384863332.db2.gz FGAVCZTWVZQPPC-AMIZOPFISA-N 1 1 232.714 3.709 10 0 BHAEMO C[C@H]1C[C@H]1Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000301255107 384864232 /nfs/dbraw/zinc/86/42/32/384864232.db2.gz FGAVCZTWVZQPPC-ISVAXAHUSA-N 1 1 232.714 3.709 10 0 BHAEMO C[C@@H]1C[C@@H]1Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000301255109 384864280 /nfs/dbraw/zinc/86/42/80/384864280.db2.gz FGAVCZTWVZQPPC-OQPBUACISA-N 1 1 232.714 3.709 10 0 BHAEMO C[C@H]1C[C@@H]1Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000301255111 177350608 /nfs/dbraw/zinc/35/06/08/177350608.db2.gz FGAVCZTWVZQPPC-SDBXPKJASA-N 1 1 232.714 3.709 10 0 BHAEMO CC(C)[C@@H](C)Nc1cc[nH+]c2ccsc21 ZINC000301337579 167388073 /nfs/dbraw/zinc/38/80/73/167388073.db2.gz DPYOJOSEVBEMBW-SECBINFHSA-N 1 1 220.341 3.753 10 0 BHAEMO CC(C)[C@H](C)Nc1cc[nH+]c2ccsc21 ZINC000301337582 397788162 /nfs/dbraw/zinc/78/81/62/397788162.db2.gz DPYOJOSEVBEMBW-VIFPVBQESA-N 1 1 220.341 3.753 10 0 BHAEMO C/C=C/CCNc1cc[nH+]c2ccsc21 ZINC000301396248 188336821 /nfs/dbraw/zinc/33/68/21/188336821.db2.gz MPSMRUYRNFNTBT-NSCUHMNNSA-N 1 1 218.325 3.674 10 0 BHAEMO FC(F)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301420904 384875822 /nfs/dbraw/zinc/87/58/22/384875822.db2.gz IBLAQXADLUZQOJ-UHFFFAOYSA-N 1 1 242.656 3.565 10 0 BHAEMO Cc1cc(CNc2cc[nH+]cc2Cl)c(C)o1 ZINC000301520214 178044438 /nfs/dbraw/zinc/04/44/38/178044438.db2.gz MYRIKAIJJSYPLN-UHFFFAOYSA-N 1 1 236.702 3.557 10 0 BHAEMO Clc1c[nH+]ccc1N1CC[C@@H]2CCCC[C@H]21 ZINC000301549467 386854511 /nfs/dbraw/zinc/85/45/11/386854511.db2.gz FTHZULFDPNPRPX-CMPLNLGQSA-N 1 1 236.746 3.504 10 0 BHAEMO Clc1c[nH+]ccc1N1CC[C@H]2CCCC[C@H]21 ZINC000301549469 386852464 /nfs/dbraw/zinc/85/24/64/386852464.db2.gz FTHZULFDPNPRPX-ZYHUDNBSSA-N 1 1 236.746 3.504 10 0 BHAEMO Clc1c[nH+]ccc1N[C@@H]1CCc2ccccc21 ZINC000301570704 386856477 /nfs/dbraw/zinc/85/64/77/386856477.db2.gz KWLTUMRBYTWHNF-CYBMUJFWSA-N 1 1 244.725 3.834 10 0 BHAEMO Clc1c[nH+]ccc1N[C@H]1CCc2ccccc21 ZINC000301570706 386855444 /nfs/dbraw/zinc/85/54/44/386855444.db2.gz KWLTUMRBYTWHNF-ZDUSSCGKSA-N 1 1 244.725 3.834 10 0 BHAEMO Cc1cccc(NCc2ccc(Cl)c(C)c2)[nH+]1 ZINC000302046134 179150381 /nfs/dbraw/zinc/15/03/81/179150381.db2.gz UTSKYYPHWDPQJF-UHFFFAOYSA-N 1 1 246.741 3.964 10 0 BHAEMO [NH3+][C@@H](c1ccc(Cl)o1)c1ccsc1Cl ZINC000306206700 387182725 /nfs/dbraw/zinc/18/27/25/387182725.db2.gz QIPPDNGHFZDRQY-MRVPVSSYSA-N 1 1 248.134 3.696 10 0 BHAEMO [NH3+][C@H](c1ccc(Cl)o1)c1ccsc1Cl ZINC000306206701 387182311 /nfs/dbraw/zinc/18/23/11/387182311.db2.gz QIPPDNGHFZDRQY-QMMMGPOBSA-N 1 1 248.134 3.696 10 0 BHAEMO CC[C@@H]1CS[C@H](c2ccsc2Cl)[NH2+]1 ZINC000306249157 359446449 /nfs/dbraw/zinc/44/64/49/359446449.db2.gz ZKXOSTHFZZBUKZ-HZGVNTEJSA-N 1 1 233.789 3.515 10 0 BHAEMO CC[C@H]1CS[C@H](c2ccsc2Cl)[NH2+]1 ZINC000306249158 359447094 /nfs/dbraw/zinc/44/70/94/359447094.db2.gz ZKXOSTHFZZBUKZ-IMTBSYHQSA-N 1 1 233.789 3.515 10 0 BHAEMO CC[C@@H]1CS[C@@H](c2ccsc2Cl)[NH2+]1 ZINC000306249159 359446858 /nfs/dbraw/zinc/44/68/58/359446858.db2.gz ZKXOSTHFZZBUKZ-MUWHJKNJSA-N 1 1 233.789 3.515 10 0 BHAEMO CC[C@H]1CS[C@@H](c2ccsc2Cl)[NH2+]1 ZINC000306249160 359446879 /nfs/dbraw/zinc/44/68/79/359446879.db2.gz ZKXOSTHFZZBUKZ-RCOVLWMOSA-N 1 1 233.789 3.515 10 0 BHAEMO C[C@H](c1ccc(Cl)s1)[N@@H+](C)C1CC1 ZINC000307166827 351538176 /nfs/dbraw/zinc/53/81/76/351538176.db2.gz QCFISJLSXVDNGH-SSDOTTSWSA-N 1 1 215.749 3.557 10 0 BHAEMO C[C@@H](c1ccc(Cl)s1)[N@@H+](C)C1CC1 ZINC000307166833 351538459 /nfs/dbraw/zinc/53/84/59/351538459.db2.gz QCFISJLSXVDNGH-ZETCQYMHSA-N 1 1 215.749 3.557 10 0 BHAEMO CC1(C)CS[C@H](c2sccc2Cl)[NH2+]1 ZINC000307210754 351611275 /nfs/dbraw/zinc/61/12/75/351611275.db2.gz MZABRDKYQVBJHM-MRVPVSSYSA-N 1 1 233.789 3.515 10 0 BHAEMO CC1(C)CS[C@@H](c2sccc2Cl)[NH2+]1 ZINC000307210755 351611307 /nfs/dbraw/zinc/61/13/07/351611307.db2.gz MZABRDKYQVBJHM-QMMMGPOBSA-N 1 1 233.789 3.515 10 0 BHAEMO CC[C@@H]1CS[C@H](c2sccc2Cl)[NH2+]1 ZINC000307497183 386690315 /nfs/dbraw/zinc/69/03/15/386690315.db2.gz GGBKOAUYOJGGIE-HZGVNTEJSA-N 1 1 233.789 3.515 10 0 BHAEMO CC[C@H]1CS[C@H](c2sccc2Cl)[NH2+]1 ZINC000307497184 386688243 /nfs/dbraw/zinc/68/82/43/386688243.db2.gz GGBKOAUYOJGGIE-IMTBSYHQSA-N 1 1 233.789 3.515 10 0 BHAEMO CC[C@@H]1CS[C@@H](c2sccc2Cl)[NH2+]1 ZINC000307497185 386690163 /nfs/dbraw/zinc/69/01/63/386690163.db2.gz GGBKOAUYOJGGIE-MUWHJKNJSA-N 1 1 233.789 3.515 10 0 BHAEMO CC[C@H]1CS[C@@H](c2sccc2Cl)[NH2+]1 ZINC000307497186 386689835 /nfs/dbraw/zinc/68/98/35/386689835.db2.gz GGBKOAUYOJGGIE-RCOVLWMOSA-N 1 1 233.789 3.515 10 0 BHAEMO Cc1cccc([C@H](C)[NH2+]C/C(Cl)=C\Cl)c1 ZINC000308664422 631350528 /nfs/dbraw/zinc/35/05/28/631350528.db2.gz FGSVABQLLIZJKH-QVIVLVACSA-N 1 1 244.165 3.965 10 0 BHAEMO CC[C@@H](Nc1cc(C)cc[nH+]1)C(C)(C)C ZINC000308909419 529208754 /nfs/dbraw/zinc/20/87/54/529208754.db2.gz DIUCEVPWAGSOIW-LLVKDONJSA-N 1 1 206.333 3.627 10 0 BHAEMO CC[C@H](Nc1cc(C)cc[nH+]1)C(C)(C)C ZINC000308909421 529675202 /nfs/dbraw/zinc/67/52/02/529675202.db2.gz DIUCEVPWAGSOIW-NSHDSACASA-N 1 1 206.333 3.627 10 0 BHAEMO CC(C)=CCNc1cccc2cc[nH+]cc21 ZINC000309596730 358883633 /nfs/dbraw/zinc/88/36/33/358883633.db2.gz IMCGQEDZNCNMLJ-UHFFFAOYSA-N 1 1 212.296 3.613 10 0 BHAEMO Cc1cnc([C@@H](C)[NH2+][C@@H]2C=CCCCCC2)o1 ZINC000310069731 411201502 /nfs/dbraw/zinc/20/15/02/411201502.db2.gz LEQIRLXOUYXBSZ-CHWSQXEVSA-N 1 1 234.343 3.523 10 0 BHAEMO Cc1cnc([C@@H](C)[NH2+][C@H]2C=CCCCCC2)o1 ZINC000310069732 411201966 /nfs/dbraw/zinc/20/19/66/411201966.db2.gz LEQIRLXOUYXBSZ-OLZOCXBDSA-N 1 1 234.343 3.523 10 0 BHAEMO Cc1cnc([C@H](C)[NH2+][C@@H]2C=CCCCCC2)o1 ZINC000310069734 411201877 /nfs/dbraw/zinc/20/18/77/411201877.db2.gz LEQIRLXOUYXBSZ-QWHCGFSZSA-N 1 1 234.343 3.523 10 0 BHAEMO Cc1cnc([C@H](C)[NH2+][C@H]2C=CCCCCC2)o1 ZINC000310069735 411202199 /nfs/dbraw/zinc/20/21/99/411202199.db2.gz LEQIRLXOUYXBSZ-STQMWFEESA-N 1 1 234.343 3.523 10 0 BHAEMO C[C@H](Nc1cccc2cc[nH+]cc21)[C@H]1C[C@H]1C ZINC000322100215 324135972 /nfs/dbraw/zinc/13/59/72/324135972.db2.gz YIMVAEOQSNOKKP-MDZLAQPJSA-N 1 1 226.323 3.691 10 0 BHAEMO C[C@@H](Nc1cccc2cc[nH+]cc21)[C@@H]1C[C@H]1C ZINC000322100217 324136482 /nfs/dbraw/zinc/13/64/82/324136482.db2.gz YIMVAEOQSNOKKP-NQBHXWOUSA-N 1 1 226.323 3.691 10 0 BHAEMO C[C@H](Nc1cccc2cc[nH+]cc21)[C@@H]1C[C@H]1C ZINC000322100219 324136843 /nfs/dbraw/zinc/13/68/43/324136843.db2.gz YIMVAEOQSNOKKP-NTZNESFSSA-N 1 1 226.323 3.691 10 0 BHAEMO C[C@@H](Nc1cccc2cc[nH+]cc21)[C@H]1C[C@H]1C ZINC000322100817 324136920 /nfs/dbraw/zinc/13/69/20/324136920.db2.gz YIMVAEOQSNOKKP-WZRBSPASSA-N 1 1 226.323 3.691 10 0 BHAEMO CC1(C)CC[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000336779628 386505901 /nfs/dbraw/zinc/50/59/01/386505901.db2.gz OYGPRUKHXUGWAM-GFCCVEGCSA-N 1 1 216.328 3.560 10 0 BHAEMO CC1(C)CC[C@@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000336779629 353560473 /nfs/dbraw/zinc/56/04/73/353560473.db2.gz OYGPRUKHXUGWAM-LBPRGKRZSA-N 1 1 216.328 3.560 10 0 BHAEMO CC/C=C\CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000342227228 343726219 /nfs/dbraw/zinc/72/62/19/343726219.db2.gz XIHJGBDPHPQMMU-DHCBQETCSA-N 1 1 219.328 3.773 10 0 BHAEMO CC/C=C\CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000342227230 346558832 /nfs/dbraw/zinc/55/88/32/346558832.db2.gz XIHJGBDPHPQMMU-SCOBNMCVSA-N 1 1 219.328 3.773 10 0 BHAEMO CC1(C)CC[C@@H]1Nc1cccc2cc[nH+]cc21 ZINC000379858205 365323039 /nfs/dbraw/zinc/32/30/39/365323039.db2.gz IQKINBWASWAYKT-AWEZNQCLSA-N 1 1 226.323 3.835 10 0 BHAEMO CC1(C)CC[C@H]1Nc1cccc2cc[nH+]cc21 ZINC000379858206 365322933 /nfs/dbraw/zinc/32/29/33/365322933.db2.gz IQKINBWASWAYKT-CQSZACIVSA-N 1 1 226.323 3.835 10 0 BHAEMO Cc1ccc[nH+]c1NCc1ccnc2ccccc12 ZINC000562372679 323018576 /nfs/dbraw/zinc/01/85/76/323018576.db2.gz IJXNQLRZHGAYQF-UHFFFAOYSA-N 1 1 249.317 3.550 10 0 BHAEMO FC(F)(F)CCNc1cccc2cc[nH+]cc21 ZINC000570236636 323053982 /nfs/dbraw/zinc/05/39/82/323053982.db2.gz GYIKNPKRFBBKGN-UHFFFAOYSA-N 1 1 240.228 3.599 10 0 BHAEMO CC(C)(C)c1cc[nH+]c(NCc2ccccc2)c1 ZINC000575537804 387580208 /nfs/dbraw/zinc/58/02/08/387580208.db2.gz LFVKVOOQZFTFBI-UHFFFAOYSA-N 1 1 240.350 3.991 10 0 BHAEMO Cc1cc(Cl)cc2c(C3CCCC3)[nH+]cn21 ZINC000584605714 358264836 /nfs/dbraw/zinc/26/48/36/358264836.db2.gz CQHDLINGXACKOZ-UHFFFAOYSA-N 1 1 234.730 3.954 10 0 BHAEMO CC[C@@H](C)c1[nH+]cn2c1cc(Cl)cc2C ZINC000584606024 358265494 /nfs/dbraw/zinc/26/54/94/358265494.db2.gz XBDGVJJNFBGHJG-MRVPVSSYSA-N 1 1 222.719 3.810 10 0 BHAEMO CC[C@H](C)c1[nH+]cn2c1cc(Cl)cc2C ZINC000584606030 358265461 /nfs/dbraw/zinc/26/54/61/358265461.db2.gz XBDGVJJNFBGHJG-QMMMGPOBSA-N 1 1 222.719 3.810 10 0 BHAEMO CCCC/C(CC)=C(/Cl)C[NH+](C)C ZINC000584609829 358271751 /nfs/dbraw/zinc/27/17/51/358271751.db2.gz BINQBZKCIDABMD-ZHACJKMWSA-N 1 1 203.757 3.641 10 0 BHAEMO CCCC[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000584618197 358284406 /nfs/dbraw/zinc/28/44/06/358284406.db2.gz IIVIXVKGXZLKET-HNNXBMFYSA-N 1 1 231.383 3.838 10 0 BHAEMO CCCC[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC000584618199 358284126 /nfs/dbraw/zinc/28/41/26/358284126.db2.gz IIVIXVKGXZLKET-OAHLLOKOSA-N 1 1 231.383 3.838 10 0 BHAEMO CCCC[N@@H+](C)C[C@H]1Cc2ccccc2[C@H]1C ZINC000584618506 358284247 /nfs/dbraw/zinc/28/42/47/358284247.db2.gz KCRXIULQRVVJRI-DZGCQCFKSA-N 1 1 231.383 3.694 10 0 BHAEMO CCCC[N@@H+](C)C[C@@H]1Cc2ccccc2[C@@H]1C ZINC000584618507 358284294 /nfs/dbraw/zinc/28/42/94/358284294.db2.gz KCRXIULQRVVJRI-HIFRSBDPSA-N 1 1 231.383 3.694 10 0 BHAEMO CCCC[N@@H+](C)C[C@H]1Cc2ccccc2[C@@H]1C ZINC000584618508 358284064 /nfs/dbraw/zinc/28/40/64/358284064.db2.gz KCRXIULQRVVJRI-UKRRQHHQSA-N 1 1 231.383 3.694 10 0 BHAEMO CCCC[N@@H+](C)C[C@@H]1Cc2ccccc2[C@H]1C ZINC000584618509 358284098 /nfs/dbraw/zinc/28/40/98/358284098.db2.gz KCRXIULQRVVJRI-ZFWWWQNUSA-N 1 1 231.383 3.694 10 0 BHAEMO CCCC[N@@H+](C)CCC1Cc2ccccc2C1 ZINC000584618919 358285389 /nfs/dbraw/zinc/28/53/89/358285389.db2.gz ZKTYQVZQDNLCGM-UHFFFAOYSA-N 1 1 231.383 3.523 10 0 BHAEMO CCOC(=[NH2+])[C@H](C)c1cccc2ccccc21 ZINC000584620782 358288240 /nfs/dbraw/zinc/28/82/40/358288240.db2.gz WAZVFYQBIJMNLF-LLVKDONJSA-N 1 1 227.307 3.957 10 0 BHAEMO CCOC(=[NH2+])[C@@H](C)c1cccc2ccccc21 ZINC000584620785 358288227 /nfs/dbraw/zinc/28/82/27/358288227.db2.gz WAZVFYQBIJMNLF-NSHDSACASA-N 1 1 227.307 3.957 10 0 BHAEMO COc1ccc(C2=C[N@H+]3CCCC[C@H]3CC2)cc1 ZINC000584625196 358293660 /nfs/dbraw/zinc/29/36/60/358293660.db2.gz IGASJCFVYKYYAG-HNNXBMFYSA-N 1 1 243.350 3.684 10 0 BHAEMO COc1ccc(C2=C[N@H+]3CCCC[C@@H]3CC2)cc1 ZINC000584625197 358293718 /nfs/dbraw/zinc/29/37/18/358293718.db2.gz IGASJCFVYKYYAG-OAHLLOKOSA-N 1 1 243.350 3.684 10 0 BHAEMO COc1ccccc1C1=C[N@H+]2CCCC[C@H]2CC1 ZINC000584625742 358294959 /nfs/dbraw/zinc/29/49/59/358294959.db2.gz SYJPKNBETWKTPJ-AWEZNQCLSA-N 1 1 243.350 3.684 10 0 BHAEMO COc1ccccc1C1=C[N@H+]2CCCC[C@@H]2CC1 ZINC000584625743 358294928 /nfs/dbraw/zinc/29/49/28/358294928.db2.gz SYJPKNBETWKTPJ-CQSZACIVSA-N 1 1 243.350 3.684 10 0 BHAEMO CCOC(=[NH2+])CCc1ccc2ccccc2c1 ZINC000584626765 358296260 /nfs/dbraw/zinc/29/62/60/358296260.db2.gz IWVDKFXCXKVXBB-UHFFFAOYSA-N 1 1 227.307 3.786 10 0 BHAEMO CCCC[N@@H+]1CCc2ccc(O)cc2[C@H](C)CC1 ZINC000584630956 358251088 /nfs/dbraw/zinc/25/10/88/358251088.db2.gz FHFOKKBOVZXJMB-CYBMUJFWSA-N 1 1 247.382 3.544 10 0 BHAEMO CCCC[N@@H+]1CCc2ccc(O)cc2[C@@H](C)CC1 ZINC000584630957 488017736 /nfs/dbraw/zinc/01/77/36/488017736.db2.gz FHFOKKBOVZXJMB-ZDUSSCGKSA-N 1 1 247.382 3.544 10 0 BHAEMO C/C=C/[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)[N@H+]2C ZINC000584640542 358326815 /nfs/dbraw/zinc/32/68/15/358326815.db2.gz YNBLYUVSJNIOLC-FEYQTPARSA-N 1 1 241.378 3.829 10 0 BHAEMO C[N@H+]1CCC(C(C)(C)C)=C[C@@H]1Cc1ccccc1 ZINC000584642435 358327770 /nfs/dbraw/zinc/32/77/70/358327770.db2.gz VLGDJNWDAZLIEN-INIZCTEOSA-N 1 1 243.394 3.906 10 0 BHAEMO C[N@H+]1CCC(C(C)(C)C)=C[C@H]1Cc1ccccc1 ZINC000584642436 358327941 /nfs/dbraw/zinc/32/79/41/358327941.db2.gz VLGDJNWDAZLIEN-MRXNPFEDSA-N 1 1 243.394 3.906 10 0 BHAEMO C[N@H+]1CC=C(C(C)(C)C)C[C@@H]1Cc1ccccc1 ZINC000584642447 358327878 /nfs/dbraw/zinc/32/78/78/358327878.db2.gz XFESNWWRDBSXQM-INIZCTEOSA-N 1 1 243.394 3.906 10 0 BHAEMO C[N@H+]1CC=C(C(C)(C)C)C[C@H]1Cc1ccccc1 ZINC000584642449 358327831 /nfs/dbraw/zinc/32/78/31/358327831.db2.gz XFESNWWRDBSXQM-MRXNPFEDSA-N 1 1 243.394 3.906 10 0 BHAEMO CC1=C(C)[C@H](Cc2ccc(Cl)cc2)[N@@H+](C)CC1 ZINC000584650120 490177935 /nfs/dbraw/zinc/17/79/35/490177935.db2.gz DYBNQQJFXHISDK-HNNXBMFYSA-N 1 1 249.785 3.923 10 0 BHAEMO CC1=C(C)[C@@H](Cc2ccc(Cl)cc2)[N@@H+](C)CC1 ZINC000584650121 490177792 /nfs/dbraw/zinc/17/77/92/490177792.db2.gz DYBNQQJFXHISDK-OAHLLOKOSA-N 1 1 249.785 3.923 10 0 BHAEMO C[PH+](CCOC(C)(C)C)CCOC(C)(C)C ZINC000584651097 358305515 /nfs/dbraw/zinc/30/55/15/358305515.db2.gz HRHGMKVIXVTTRO-UHFFFAOYSA-N 1 1 248.347 3.728 10 0 BHAEMO CCC[C@H](c1cccc(OC)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000584652229 358307041 /nfs/dbraw/zinc/30/70/41/358307041.db2.gz UCESPXPNQAZZTA-GDBMZVCRSA-N 1 1 247.382 3.531 10 0 BHAEMO CCC[C@H](c1cccc(OC)c1)[C@H]1CC[N@@H+](C)C1 ZINC000584652234 358307111 /nfs/dbraw/zinc/30/71/11/358307111.db2.gz UCESPXPNQAZZTA-GOEBONIOSA-N 1 1 247.382 3.531 10 0 BHAEMO CCC[C@@H](c1cccc(OC)c1)[C@H]1CC[N@@H+](C)C1 ZINC000584652238 358307149 /nfs/dbraw/zinc/30/71/49/358307149.db2.gz UCESPXPNQAZZTA-HOCLYGCPSA-N 1 1 247.382 3.531 10 0 BHAEMO CCC[C@@H](c1cccc(OC)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000584652239 358306824 /nfs/dbraw/zinc/30/68/24/358306824.db2.gz UCESPXPNQAZZTA-ZBFHGGJFSA-N 1 1 247.382 3.531 10 0 BHAEMO CC[N@H+]1CCc2ccccc2[C@H]1C(C)(C)C ZINC000616587491 349431852 /nfs/dbraw/zinc/43/18/52/349431852.db2.gz YKEVJAXYKXLQJQ-AWEZNQCLSA-N 1 1 217.356 3.652 10 0 BHAEMO CC[N@H+]1CCc2ccccc2[C@@H]1C(C)(C)C ZINC000616589357 349558821 /nfs/dbraw/zinc/55/88/21/349558821.db2.gz YKEVJAXYKXLQJQ-CQSZACIVSA-N 1 1 217.356 3.652 10 0 BHAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2ccc(N)cc2)CC1 ZINC000616600394 350779602 /nfs/dbraw/zinc/77/96/02/350779602.db2.gz DNWYEMRVUHVENA-CYBMUJFWSA-N 1 1 246.398 3.637 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H](c2cccc(F)c2)CC1 ZINC000616600504 350780375 /nfs/dbraw/zinc/78/03/75/350780375.db2.gz BLNNJMWRWOMSLE-ZDUSSCGKSA-N 1 1 235.346 3.804 10 0 BHAEMO CNc1ccc([C@H]2CCC[N@H+](C(C)C)CC2)cc1 ZINC000616601100 350781092 /nfs/dbraw/zinc/78/10/92/350781092.db2.gz JMKDHRZWLPDUTB-AWEZNQCLSA-N 1 1 246.398 3.706 10 0 BHAEMO C[N@H+]1CCC[C@H](c2ccccc2Cl)CC1 ZINC000616601289 350782497 /nfs/dbraw/zinc/78/24/97/350782497.db2.gz LEUAZGSEMPDPFB-NSHDSACASA-N 1 1 223.747 3.539 10 0 BHAEMO C[N@H+]1CCCC[C@H](c2cccc(Cl)c2)C1 ZINC000616601699 350786820 /nfs/dbraw/zinc/78/68/20/350786820.db2.gz FINCUUFLKPEBKN-LBPRGKRZSA-N 1 1 223.747 3.539 10 0 BHAEMO CC(C)(C)[N@H+]1CCC[C@H](c2ccccc2N)CC1 ZINC000616601971 350789845 /nfs/dbraw/zinc/78/98/45/350789845.db2.gz OWTHWLKWLNCSCW-ZDUSSCGKSA-N 1 1 246.398 3.637 10 0 BHAEMO CC[N@H+]1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000616602270 350790525 /nfs/dbraw/zinc/79/05/25/350790525.db2.gz JWVYRIAZKHGKFW-ZDUSSCGKSA-N 1 1 237.774 3.929 10 0 BHAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2cccc(N)c2)CC1 ZINC000616602549 350791666 /nfs/dbraw/zinc/79/16/66/350791666.db2.gz ZRPKCXFRJSSUKX-CYBMUJFWSA-N 1 1 246.398 3.637 10 0 BHAEMO COc1cccc([C@H]2CCC[N@H+](C(C)C)CC2)c1 ZINC000616602625 350791657 /nfs/dbraw/zinc/79/16/57/350791657.db2.gz RMFJYEYUVXUVRT-AWEZNQCLSA-N 1 1 247.382 3.673 10 0 BHAEMO CC[N@H+]1CCC[C@H](c2ccccc2Cl)CC1 ZINC000616602854 350788022 /nfs/dbraw/zinc/78/80/22/350788022.db2.gz SZDXIHZROPDFDD-LBPRGKRZSA-N 1 1 237.774 3.929 10 0 BHAEMO C[N@H+]1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000616602923 350789285 /nfs/dbraw/zinc/78/92/85/350789285.db2.gz QAZFVCZGQJDDSS-LBPRGKRZSA-N 1 1 223.747 3.539 10 0 BHAEMO CC[N@H+]1CCCC[C@H](c2cccc(Cl)c2)C1 ZINC000616602964 350789130 /nfs/dbraw/zinc/78/91/30/350789130.db2.gz QTCSERUGTHHROC-ZDUSSCGKSA-N 1 1 237.774 3.929 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2ccc(N)cc2)C1 ZINC000616603248 350789229 /nfs/dbraw/zinc/78/92/29/350789229.db2.gz DYLSJXCETZJZQC-AWEZNQCLSA-N 1 1 246.398 3.637 10 0 BHAEMO CNc1ccc([C@H]2CCCC[N@H+](C(C)C)C2)cc1 ZINC000616603286 350788941 /nfs/dbraw/zinc/78/89/41/350788941.db2.gz FOIVLWHFLOZTGV-HNNXBMFYSA-N 1 1 246.398 3.706 10 0 BHAEMO CNc1ccccc1[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000616603540 350789918 /nfs/dbraw/zinc/78/99/18/350789918.db2.gz XZJHQZANFPLSJW-AWEZNQCLSA-N 1 1 246.398 3.706 10 0 BHAEMO C[N@H+]1CCCC[C@H](c2ccccc2Cl)C1 ZINC000616603574 350789988 /nfs/dbraw/zinc/78/99/88/350789988.db2.gz WMXNFYPUQNNUFS-NSHDSACASA-N 1 1 223.747 3.539 10 0 BHAEMO COc1ccc([C@H]2CCCC[N@H+](C(C)C)C2)cc1 ZINC000616603701 350790160 /nfs/dbraw/zinc/79/01/60/350790160.db2.gz GOFRYBATCZFBRS-HNNXBMFYSA-N 1 1 247.382 3.673 10 0 BHAEMO COc1ccccc1[C@H]1CCCC[N@H+](C(C)C)C1 ZINC000616603850 350795448 /nfs/dbraw/zinc/79/54/48/350795448.db2.gz IYSOPYHJHDPCPT-AWEZNQCLSA-N 1 1 247.382 3.673 10 0 BHAEMO CC[N@H+]1CCCC[C@H](c2ccccc2Cl)C1 ZINC000616604017 350792604 /nfs/dbraw/zinc/79/26/04/350792604.db2.gz ZQZOCPXXKYHPFR-LBPRGKRZSA-N 1 1 237.774 3.929 10 0 BHAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccccc1N ZINC000616604037 350792613 /nfs/dbraw/zinc/79/26/13/350792613.db2.gz ACGIGDQXTOPCKI-OAHLLOKOSA-N 1 1 246.398 3.984 10 0 BHAEMO C[N@H+]1CCCCC[C@@H]1c1cccc2ccncc21 ZINC000616604234 350792687 /nfs/dbraw/zinc/79/26/87/350792687.db2.gz BUSYKUQZHAEMTM-MRXNPFEDSA-N 1 1 240.350 3.782 10 0 BHAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cccnc1 ZINC000616604370 350793282 /nfs/dbraw/zinc/79/32/82/350793282.db2.gz CJDMXOLSFKLYLB-CQSZACIVSA-N 1 1 232.371 3.797 10 0 BHAEMO CNc1cccc([C@H]2CCCC[N@H+](C(C)C)C2)c1 ZINC000616604486 350793423 /nfs/dbraw/zinc/79/34/23/350793423.db2.gz PYPYQJLRHWPDFY-HNNXBMFYSA-N 1 1 246.398 3.706 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@@H](c2ccc(N)cc2)C1 ZINC000616604500 350793527 /nfs/dbraw/zinc/79/35/27/350793527.db2.gz DYLSJXCETZJZQC-CQSZACIVSA-N 1 1 246.398 3.637 10 0 BHAEMO CNc1ccc([C@@H]2CCCC[N@H+](C(C)C)C2)cc1 ZINC000616604544 350793373 /nfs/dbraw/zinc/79/33/73/350793373.db2.gz FOIVLWHFLOZTGV-OAHLLOKOSA-N 1 1 246.398 3.706 10 0 BHAEMO CC(C)[N@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616604865 350793312 /nfs/dbraw/zinc/79/33/12/350793312.db2.gz RIAVUMQBUBLLFS-ZDUSSCGKSA-N 1 1 235.346 3.804 10 0 BHAEMO COc1cccc([C@H]2CCCC[N@H+](C(C)C)C2)c1 ZINC000616604949 350794328 /nfs/dbraw/zinc/79/43/28/350794328.db2.gz VKFWFJJSEUHVFK-HNNXBMFYSA-N 1 1 247.382 3.673 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@@H](c2ccccc2N)C1 ZINC000616604976 350794150 /nfs/dbraw/zinc/79/41/50/350794150.db2.gz IKNSINOXFMJSMS-CYBMUJFWSA-N 1 1 246.398 3.637 10 0 BHAEMO COc1ccccc1[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC000616604993 350794238 /nfs/dbraw/zinc/79/42/38/350794238.db2.gz IYSOPYHJHDPCPT-CQSZACIVSA-N 1 1 247.382 3.673 10 0 BHAEMO CC[N@H+]1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616605009 350794183 /nfs/dbraw/zinc/79/41/83/350794183.db2.gz JWVYRIAZKHGKFW-CYBMUJFWSA-N 1 1 237.774 3.929 10 0 BHAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccc(N)cc1 ZINC000616605232 350794185 /nfs/dbraw/zinc/79/41/85/350794185.db2.gz IZXWLNWITLUBQB-OAHLLOKOSA-N 1 1 246.398 3.984 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2cccc(N)c2)C1 ZINC000616605284 350794069 /nfs/dbraw/zinc/79/40/69/350794069.db2.gz XQFNHGMDODXUET-AWEZNQCLSA-N 1 1 246.398 3.637 10 0 BHAEMO C[N@H+]1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616605590 350794976 /nfs/dbraw/zinc/79/49/76/350794976.db2.gz QAZFVCZGQJDDSS-GFCCVEGCSA-N 1 1 223.747 3.539 10 0 BHAEMO CC(C)[N@H+]1CCCC[C@@H](c2ccccc2F)C1 ZINC000616605632 350795011 /nfs/dbraw/zinc/79/50/11/350795011.db2.gz RIAVUMQBUBLLFS-CYBMUJFWSA-N 1 1 235.346 3.804 10 0 BHAEMO C[N@H+]1CCCC[C@@H](c2ccccc2Cl)C1 ZINC000616605840 350794781 /nfs/dbraw/zinc/79/47/81/350794781.db2.gz WMXNFYPUQNNUFS-LLVKDONJSA-N 1 1 223.747 3.539 10 0 BHAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccccn1 ZINC000616606011 350796742 /nfs/dbraw/zinc/79/67/42/350796742.db2.gz VEBPMJJZTQESEA-CQSZACIVSA-N 1 1 232.371 3.797 10 0 BHAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000616606016 350796575 /nfs/dbraw/zinc/79/65/75/350796575.db2.gz VMANIWKUAZECOP-CQSZACIVSA-N 1 1 232.371 3.797 10 0 BHAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cccc(N)c1 ZINC000616606022 350796356 /nfs/dbraw/zinc/79/63/56/350796356.db2.gz VVMVJEGFMPMCOU-OAHLLOKOSA-N 1 1 246.398 3.984 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccc2cccnc2c1 ZINC000616606326 350797245 /nfs/dbraw/zinc/79/72/45/350797245.db2.gz BWHSJHAOOMKYHE-MRXNPFEDSA-N 1 1 240.350 3.780 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000616606345 350797646 /nfs/dbraw/zinc/79/76/46/350797646.db2.gz GMUAXGIMVIDMEZ-ZDUSSCGKSA-N 1 1 223.747 3.885 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccc2ccncc2c1 ZINC000616606391 350797540 /nfs/dbraw/zinc/79/75/40/350797540.db2.gz DQJHYMCXGSRAJY-MRXNPFEDSA-N 1 1 240.350 3.780 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000616606431 350797206 /nfs/dbraw/zinc/79/72/06/350797206.db2.gz GMUAXGIMVIDMEZ-CYBMUJFWSA-N 1 1 223.747 3.885 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000616606821 350799495 /nfs/dbraw/zinc/79/94/95/350799495.db2.gz KLDITSQUJCZKLU-ZDUSSCGKSA-N 1 1 223.747 3.885 10 0 BHAEMO CNc1ccc([C@H]2CCC[N@H+]2C(C)(C)C)cc1 ZINC000616606879 350799113 /nfs/dbraw/zinc/79/91/13/350799113.db2.gz GXXJXAWDCSZKOU-CQSZACIVSA-N 1 1 232.371 3.664 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616606908 350798983 /nfs/dbraw/zinc/79/89/83/350798983.db2.gz KHXAULRBHBQDAZ-MRXNPFEDSA-N 1 1 240.350 3.780 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000616606910 350799595 /nfs/dbraw/zinc/79/95/95/350799595.db2.gz KLDITSQUJCZKLU-CYBMUJFWSA-N 1 1 223.747 3.885 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccc2ccccc2n1 ZINC000616606962 350799287 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/nfs/dbraw/zinc/80/05/00/350800500.db2.gz GXXJXAWDCSZKOU-AWEZNQCLSA-N 1 1 232.371 3.664 10 0 BHAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000616607259 344464925 /nfs/dbraw/zinc/46/49/25/344464925.db2.gz QYTGYHPCRRAARC-CYBMUJFWSA-N 1 1 221.319 3.761 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H]1c1cccc2cccnc21 ZINC000616607346 350800507 /nfs/dbraw/zinc/80/05/07/350800507.db2.gz RXKPXAZHKGDYCY-OAHLLOKOSA-N 1 1 240.350 3.780 10 0 BHAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1ccccc1F ZINC000616607507 350800983 /nfs/dbraw/zinc/80/09/83/350800983.db2.gz UECJRYWNCNZEGN-CYBMUJFWSA-N 1 1 221.319 3.761 10 0 BHAEMO COc1ccccc1[C@H]1CCC[N@H+]1C(C)(C)C ZINC000616607519 350801089 /nfs/dbraw/zinc/80/10/89/350801089.db2.gz UVICLSKAFZVECP-CYBMUJFWSA-N 1 1 233.355 3.631 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616607557 350801343 /nfs/dbraw/zinc/80/13/43/350801343.db2.gz KHXAULRBHBQDAZ-INIZCTEOSA-N 1 1 240.350 3.780 10 0 BHAEMO COc1cccc([C@H]2CCC[N@H+]2C(C)(C)C)c1 ZINC000616607679 350802101 /nfs/dbraw/zinc/80/21/01/350802101.db2.gz XTWLTIQXKZLKOB-CQSZACIVSA-N 1 1 233.355 3.631 10 0 BHAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000616607683 350801954 /nfs/dbraw/zinc/80/19/54/350801954.db2.gz XWPVQWNTKRZRDD-CYBMUJFWSA-N 1 1 221.319 3.761 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1cccc2ccncc21 ZINC000616607696 350802135 /nfs/dbraw/zinc/80/21/35/350802135.db2.gz LCILYTLINLEBEX-INIZCTEOSA-N 1 1 240.350 3.780 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616607869 350802070 /nfs/dbraw/zinc/80/20/70/350802070.db2.gz ZJZMCDBWLLUMMY-MRXNPFEDSA-N 1 1 240.350 3.780 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1ccc2ccccc2n1 ZINC000616608194 350800302 /nfs/dbraw/zinc/80/03/02/350800302.db2.gz NNMSWASWQSGJQG-INIZCTEOSA-N 1 1 240.350 3.780 10 0 BHAEMO COc1ccc([C@@H]2CCC[N@H+]2C(C)(C)C)cc1 ZINC000616608222 350797272 /nfs/dbraw/zinc/79/72/72/350797272.db2.gz PLHIRWKPBHDIKG-AWEZNQCLSA-N 1 1 233.355 3.631 10 0 BHAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000616608283 350804688 /nfs/dbraw/zinc/80/46/88/350804688.db2.gz QYTGYHPCRRAARC-ZDUSSCGKSA-N 1 1 221.319 3.761 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1cccc2cccnc21 ZINC000616608315 350804246 /nfs/dbraw/zinc/80/42/46/350804246.db2.gz RXKPXAZHKGDYCY-HNNXBMFYSA-N 1 1 240.350 3.780 10 0 BHAEMO CNc1ccccc1[C@@H]1CCC[N@H+]1C(C)(C)C ZINC000616608337 350804630 /nfs/dbraw/zinc/80/46/30/350804630.db2.gz SLCMHMXDVNAMFO-AWEZNQCLSA-N 1 1 232.371 3.664 10 0 BHAEMO CNc1ccccc1[C@H]1CCC[N@H+]1C(C)(C)C ZINC000616608380 350804571 /nfs/dbraw/zinc/80/45/71/350804571.db2.gz SLCMHMXDVNAMFO-CQSZACIVSA-N 1 1 232.371 3.664 10 0 BHAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1ccccc1F ZINC000616608411 350804805 /nfs/dbraw/zinc/80/48/05/350804805.db2.gz UECJRYWNCNZEGN-ZDUSSCGKSA-N 1 1 221.319 3.761 10 0 BHAEMO COc1ccccc1[C@@H]1CCC[N@H+]1C(C)(C)C ZINC000616608427 350804264 /nfs/dbraw/zinc/80/42/64/350804264.db2.gz UVICLSKAFZVECP-ZDUSSCGKSA-N 1 1 233.355 3.631 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1cncc2ccccc21 ZINC000616608509 369102249 /nfs/dbraw/zinc/10/22/49/369102249.db2.gz XBDYXJUWMWIKQI-INIZCTEOSA-N 1 1 240.350 3.780 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1cccc2cnccc21 ZINC000616608532 350804445 /nfs/dbraw/zinc/80/44/45/350804445.db2.gz XFGRYXJPHPDVGH-INIZCTEOSA-N 1 1 240.350 3.780 10 0 BHAEMO COc1cccc([C@@H]2CCC[N@H+]2C(C)(C)C)c1 ZINC000616608552 350805632 /nfs/dbraw/zinc/80/56/32/350805632.db2.gz XTWLTIQXKZLKOB-AWEZNQCLSA-N 1 1 233.355 3.631 10 0 BHAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000616608561 350805539 /nfs/dbraw/zinc/80/55/39/350805539.db2.gz XWPVQWNTKRZRDD-ZDUSSCGKSA-N 1 1 221.319 3.761 10 0 BHAEMO CNc1cccc([C@@H]2CCC[N@H+]2C(C)(C)C)c1 ZINC000616608657 350805672 /nfs/dbraw/zinc/80/56/72/350805672.db2.gz ZFQYEBUVFWJPNM-AWEZNQCLSA-N 1 1 232.371 3.664 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1cccc2ncccc21 ZINC000616608659 350805358 /nfs/dbraw/zinc/80/53/58/350805358.db2.gz ZGFGNZJSGDZJBR-INIZCTEOSA-N 1 1 240.350 3.780 10 0 BHAEMO CNc1cccc([C@H]2CCC[N@H+]2C(C)(C)C)c1 ZINC000616608667 350805269 /nfs/dbraw/zinc/80/52/69/350805269.db2.gz ZFQYEBUVFWJPNM-CQSZACIVSA-N 1 1 232.371 3.664 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616608689 350805437 /nfs/dbraw/zinc/80/54/37/350805437.db2.gz ZJZMCDBWLLUMMY-INIZCTEOSA-N 1 1 240.350 3.780 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H](c2cccc(F)c2)CC1 ZINC000616609557 350803390 /nfs/dbraw/zinc/80/33/90/350803390.db2.gz BLNNJMWRWOMSLE-CYBMUJFWSA-N 1 1 235.346 3.804 10 0 BHAEMO CC[N@H+]1CCC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616609580 350803780 /nfs/dbraw/zinc/80/37/80/350803780.db2.gz CEOAQVFJDFOTED-GFCCVEGCSA-N 1 1 237.774 3.929 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1ccccc1CO ZINC000616610372 350808641 /nfs/dbraw/zinc/80/86/41/350808641.db2.gz IATPJUKEEKHJJK-HNNXBMFYSA-N 1 1 247.382 3.504 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H](c2ccccc2F)CC1 ZINC000616610489 350805586 /nfs/dbraw/zinc/80/55/86/350805586.db2.gz KSBONDSAXISIJI-CYBMUJFWSA-N 1 1 235.346 3.804 10 0 BHAEMO C[N@H+]1CCC[C@@H](c2ccccc2Cl)CC1 ZINC000616610512 350806246 /nfs/dbraw/zinc/80/62/46/350806246.db2.gz LEUAZGSEMPDPFB-LLVKDONJSA-N 1 1 223.747 3.539 10 0 BHAEMO FC(F)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000616610543 350806162 /nfs/dbraw/zinc/80/61/62/350806162.db2.gz MGAQTUUXZHOOPU-CYBMUJFWSA-N 1 1 239.309 3.554 10 0 BHAEMO C[N@H+]1CCC[C@@H](c2cccc(Cl)c2)CC1 ZINC000616610606 350806471 /nfs/dbraw/zinc/80/64/71/350806471.db2.gz NCMKRCMSNAJNQN-LLVKDONJSA-N 1 1 223.747 3.539 10 0 BHAEMO CC[N@H+]1CCCC[C@H]1c1nccc2ccccc21 ZINC000616610994 350806439 /nfs/dbraw/zinc/80/64/39/350806439.db2.gz PRNYXDUOQHSKGF-HNNXBMFYSA-N 1 1 240.350 3.782 10 0 BHAEMO CC[N@H+]1CCCC[C@H]1c1cccc2cnccc21 ZINC000616611014 350807585 /nfs/dbraw/zinc/80/75/85/350807585.db2.gz QJEBFHYBSLRPGB-INIZCTEOSA-N 1 1 240.350 3.782 10 0 BHAEMO CC[N@H+]1CCC[C@@H](c2cccc(Cl)c2)CC1 ZINC000616611346 350810931 /nfs/dbraw/zinc/81/09/31/350810931.db2.gz OTANDCQNDPZURM-GFCCVEGCSA-N 1 1 237.774 3.929 10 0 BHAEMO CNc1cccc([C@@H]2CCC[N@H+](C(C)C)CC2)c1 ZINC000616611430 350809059 /nfs/dbraw/zinc/80/90/59/350809059.db2.gz QOZUUSLSAIYANK-CQSZACIVSA-N 1 1 246.398 3.706 10 0 BHAEMO COc1cccc([C@@H]2CCC[N@H+](C(C)C)CC2)c1 ZINC000616611485 350809142 /nfs/dbraw/zinc/80/91/42/350809142.db2.gz RMFJYEYUVXUVRT-CQSZACIVSA-N 1 1 247.382 3.673 10 0 BHAEMO C[N@H+]1CCC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616611510 350809376 /nfs/dbraw/zinc/80/93/76/350809376.db2.gz RSKFNHVOVSOCFC-LLVKDONJSA-N 1 1 223.747 3.539 10 0 BHAEMO CC[N@H+]1CCC[C@@H](c2ccccc2Cl)CC1 ZINC000616611579 350809363 /nfs/dbraw/zinc/80/93/63/350809363.db2.gz SZDXIHZROPDFDD-GFCCVEGCSA-N 1 1 237.774 3.929 10 0 BHAEMO COc1ccc([C@@H]2CCC[N@H+](C(C)C)CC2)cc1 ZINC000616612478 349562561 /nfs/dbraw/zinc/56/25/61/349562561.db2.gz VQGKEMJILKTERF-CQSZACIVSA-N 1 1 247.382 3.673 10 0 BHAEMO COc1ccccc1[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000616612575 349581841 /nfs/dbraw/zinc/58/18/41/349581841.db2.gz WKKLJEHDHUKWGX-CQSZACIVSA-N 1 1 247.382 3.673 10 0 BHAEMO CNc1ccccc1[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000616612706 349578603 /nfs/dbraw/zinc/57/86/03/349578603.db2.gz XZJHQZANFPLSJW-CQSZACIVSA-N 1 1 246.398 3.706 10 0 BHAEMO CC(C)(C)[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC000616613013 349601413 /nfs/dbraw/zinc/60/14/13/349601413.db2.gz GTCQZEVLWKUUJW-NSHDSACASA-N 1 1 237.774 3.928 10 0 BHAEMO CC(C)(C)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000616613465 349863806 /nfs/dbraw/zinc/86/38/06/349863806.db2.gz JZIDCNMWPMIAQV-LBPRGKRZSA-N 1 1 237.774 3.928 10 0 BHAEMO CNc1cccc([C@H]2CCCC[N@H+]2C(C)C)c1 ZINC000616613794 350068018 /nfs/dbraw/zinc/06/80/18/350068018.db2.gz AZYKBUSLAWZFNK-OAHLLOKOSA-N 1 1 232.371 3.664 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616613816 350067526 /nfs/dbraw/zinc/06/75/26/350067526.db2.gz BJWLBSGWGIRZTP-OAHLLOKOSA-N 1 1 247.382 3.504 10 0 BHAEMO CC[N@H+]1CCCC[C@@H]1c1cccc2cccnc21 ZINC000616613858 350065354 /nfs/dbraw/zinc/06/53/54/350065354.db2.gz CGLJYRFZUBYTFW-OAHLLOKOSA-N 1 1 240.350 3.782 10 0 BHAEMO CC[N@H+]1CCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616613892 350814941 /nfs/dbraw/zinc/81/49/41/350814941.db2.gz DASZGDRLQMOWQI-MRXNPFEDSA-N 1 1 240.350 3.782 10 0 BHAEMO CC(C)(C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000616613979 398166912 /nfs/dbraw/zinc/16/69/12/398166912.db2.gz XMOMLQAMBYIUFG-LBPRGKRZSA-N 1 1 237.774 3.928 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@@H]1c1ccccc1CO ZINC000616614090 350827573 /nfs/dbraw/zinc/82/75/73/350827573.db2.gz IATPJUKEEKHJJK-OAHLLOKOSA-N 1 1 247.382 3.504 10 0 BHAEMO CC(C)(C)[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC000616614187 350831057 /nfs/dbraw/zinc/83/10/57/350831057.db2.gz GTCQZEVLWKUUJW-LLVKDONJSA-N 1 1 237.774 3.928 10 0 BHAEMO CC[N@H+]1CCCC[C@@H]1c1ccc2cnccc2c1 ZINC000616614206 350831081 /nfs/dbraw/zinc/83/10/81/350831081.db2.gz KVPYFNIGPWRDQF-MRXNPFEDSA-N 1 1 240.350 3.782 10 0 BHAEMO COc1cccc([C@H]2CCCC[N@H+]2C(C)C)c1 ZINC000616614246 350830236 /nfs/dbraw/zinc/83/02/36/350830236.db2.gz MJULNYOJBHXLME-OAHLLOKOSA-N 1 1 233.355 3.631 10 0 BHAEMO CC(C)(C)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616614345 350831917 /nfs/dbraw/zinc/83/19/17/350831917.db2.gz JZIDCNMWPMIAQV-GFCCVEGCSA-N 1 1 237.774 3.928 10 0 BHAEMO CNc1ccc([C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC000616614449 350833615 /nfs/dbraw/zinc/83/36/15/350833615.db2.gz OROJEVVYAQTVNV-OAHLLOKOSA-N 1 1 232.371 3.664 10 0 BHAEMO CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616614456 350833291 /nfs/dbraw/zinc/83/32/91/350833291.db2.gz PCFCQUGFUNKZAH-MRXNPFEDSA-N 1 1 240.350 3.782 10 0 BHAEMO CC[N@H+]1CCCC[C@@H]1c1cccc2ncccc21 ZINC000616614519 350834087 /nfs/dbraw/zinc/83/40/87/350834087.db2.gz TWKQJJRBVMMBMZ-MRXNPFEDSA-N 1 1 240.350 3.782 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@@H]1c1ccccc1N ZINC000616614580 350835474 /nfs/dbraw/zinc/83/54/74/350835474.db2.gz VTMQETUMPWEMGN-CQSZACIVSA-N 1 1 232.371 3.594 10 0 BHAEMO CC(C)[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC000616614787 350838298 /nfs/dbraw/zinc/83/82/98/350838298.db2.gz WCDPBJLJMIUYBE-CQSZACIVSA-N 1 1 221.319 3.761 10 0 BHAEMO CC(C)(C)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000616614848 350840272 /nfs/dbraw/zinc/84/02/72/350840272.db2.gz XMOMLQAMBYIUFG-GFCCVEGCSA-N 1 1 237.774 3.928 10 0 BHAEMO CC[N@H+]1CCCC[C@@H]1c1ccc2ccncc2c1 ZINC000616614901 350842174 /nfs/dbraw/zinc/84/21/74/350842174.db2.gz YJFPTUDQBYAEEA-MRXNPFEDSA-N 1 1 240.350 3.782 10 0 BHAEMO CNc1ccccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000616614903 350841788 /nfs/dbraw/zinc/84/17/88/350841788.db2.gz YMKMLWPTXHXBSW-OAHLLOKOSA-N 1 1 232.371 3.664 10 0 BHAEMO CC[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000616614913 350842075 /nfs/dbraw/zinc/84/20/75/350842075.db2.gz ZFAZNJGBJZWHPQ-CYBMUJFWSA-N 1 1 223.747 3.887 10 0 BHAEMO CC[N@H+]1CCCC[C@@H]1c1ccc2cccnc2c1 ZINC000616614914 350842149 /nfs/dbraw/zinc/84/21/49/350842149.db2.gz ZJASLEMGBJHWJQ-MRXNPFEDSA-N 1 1 240.350 3.782 10 0 BHAEMO CNc1cccc([C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC000616615065 350844801 /nfs/dbraw/zinc/84/48/01/350844801.db2.gz AZYKBUSLAWZFNK-HNNXBMFYSA-N 1 1 232.371 3.664 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1cccc(CO)c1 ZINC000616615082 398173392 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/nfs/dbraw/zinc/18/46/02/351184602.db2.gz FYGLCMOGLLRFBB-CYBMUJFWSA-N 1 1 239.309 3.554 10 0 BHAEMO C[N@H+]1CCCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616652187 351191061 /nfs/dbraw/zinc/19/10/61/351191061.db2.gz FINCUUFLKPEBKN-GFCCVEGCSA-N 1 1 223.747 3.539 10 0 BHAEMO CNc1ccccc1[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC000616652241 351190965 /nfs/dbraw/zinc/19/09/65/351190965.db2.gz FYCVOBVJDHBPFQ-CQSZACIVSA-N 1 1 246.398 3.706 10 0 BHAEMO COc1ccc([C@@H]2CCCC[N@H+](C(C)C)C2)cc1 ZINC000616652272 351190730 /nfs/dbraw/zinc/19/07/30/351190730.db2.gz GOFRYBATCZFBRS-OAHLLOKOSA-N 1 1 247.382 3.673 10 0 BHAEMO CC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000616652920 351187137 /nfs/dbraw/zinc/18/71/37/351187137.db2.gz JHHLOPGSHGZBQB-CQSZACIVSA-N 1 1 217.356 3.699 10 0 BHAEMO CC(C)(C)[C@@H]1CCCC[N@H+](C(C)(C)C)C1 ZINC000616654025 351194853 /nfs/dbraw/zinc/19/48/53/351194853.db2.gz JPHMNXWZQXWRQC-GFCCVEGCSA-N 1 1 211.393 3.933 10 0 BHAEMO CNc1cccc([C@@H]2CCCC[N@H+](C(C)C)C2)c1 ZINC000616654860 351192110 /nfs/dbraw/zinc/19/21/10/351192110.db2.gz PYPYQJLRHWPDFY-OAHLLOKOSA-N 1 1 246.398 3.706 10 0 BHAEMO CC[N@H+]1CCCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616654876 351192144 /nfs/dbraw/zinc/19/21/44/351192144.db2.gz QTCSERUGTHHROC-CYBMUJFWSA-N 1 1 237.774 3.929 10 0 BHAEMO COc1cccc([C@@H]2CCCC[N@H+](C(C)C)C2)c1 ZINC000616656298 351202735 /nfs/dbraw/zinc/20/27/35/351202735.db2.gz VKFWFJJSEUHVFK-OAHLLOKOSA-N 1 1 247.382 3.673 10 0 BHAEMO CC(C)(C)[N@H+]1CCCC[C@@H](c2cccc(N)c2)C1 ZINC000616656435 351202529 /nfs/dbraw/zinc/20/25/29/351202529.db2.gz XQFNHGMDODXUET-CQSZACIVSA-N 1 1 246.398 3.637 10 0 BHAEMO CC(C)[N@H+]1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616656449 351202567 /nfs/dbraw/zinc/20/25/67/351202567.db2.gz XWFGXDIWERSUTN-CQSZACIVSA-N 1 1 235.346 3.804 10 0 BHAEMO CC[N@H+]1CCCC[C@@H](c2ccccc2Cl)C1 ZINC000616657142 351198257 /nfs/dbraw/zinc/19/82/57/351198257.db2.gz ZQZOCPXXKYHPFR-GFCCVEGCSA-N 1 1 237.774 3.929 10 0 BHAEMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2F)o1 ZINC000631035459 370986726 /nfs/dbraw/zinc/98/67/26/370986726.db2.gz PFKFNOVIVUOACH-GFCCVEGCSA-N 1 1 247.313 3.886 10 0 BHAEMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2F)o1 ZINC000631035460 370987572 /nfs/dbraw/zinc/98/75/72/370987572.db2.gz PFKFNOVIVUOACH-LBPRGKRZSA-N 1 1 247.313 3.886 10 0 BHAEMO CSC1CC(Nc2[nH+]ccc3ccccc32)C1 ZINC000708270577 712184489 /nfs/dbraw/zinc/18/44/89/712184489.db2.gz UVUBLZCGJIESPU-UHFFFAOYSA-N 1 1 244.363 3.541 10 0 BHAEMO Cc1[nH+]c(N)ccc1-c1ccc(C2CC2)s1 ZINC000716587373 712564559 /nfs/dbraw/zinc/56/45/59/712564559.db2.gz NBXVKRGPVFZHEE-UHFFFAOYSA-N 1 1 230.336 3.578 10 0 BHAEMO Cc1[nH]c(CSCC[Si](C)(C)C)c(C)[nH+]1 ZINC000725245533 538002169 /nfs/dbraw/zinc/00/21/69/538002169.db2.gz JXJFIQXAGDIONZ-UHFFFAOYSA-N 1 1 242.464 3.598 10 0 BHAEMO c1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000725262477 541335485 /nfs/dbraw/zinc/33/54/85/541335485.db2.gz AWYNSRDWMYVMMM-UHFFFAOYSA-N 1 1 249.357 3.808 10 0 BHAEMO CC(C)(C)[C@@H]([NH3+])c1ccc(O)c(Cl)c1Cl ZINC000757131709 582506363 /nfs/dbraw/zinc/50/63/63/582506363.db2.gz CCZULUOTQDDGTD-JTQLQIEISA-N 1 1 248.153 3.745 10 0 BHAEMO CC(C)(C)[C@H]([NH3+])c1ccc(O)c(Cl)c1Cl ZINC000757131712 582506351 /nfs/dbraw/zinc/50/63/51/582506351.db2.gz CCZULUOTQDDGTD-SNVBAGLBSA-N 1 1 248.153 3.745 10 0 BHAEMO CC(C)C[C@@H]([NH3+])c1ccc(O)c(Cl)c1Cl ZINC000757132750 643259349 /nfs/dbraw/zinc/25/93/49/643259349.db2.gz JRETXLUVRPYGHB-MRVPVSSYSA-N 1 1 248.153 3.745 10 0 BHAEMO CC(C)C[C@H]([NH3+])c1ccc(O)c(Cl)c1Cl ZINC000757132753 643258848 /nfs/dbraw/zinc/25/88/48/643258848.db2.gz JRETXLUVRPYGHB-QMMMGPOBSA-N 1 1 248.153 3.745 10 0 BHAEMO CC(C)(C)[C@@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757146474 582530556 /nfs/dbraw/zinc/53/05/56/582530556.db2.gz UVLCNROCBFMHAI-JTQLQIEISA-N 1 1 248.153 3.745 10 0 BHAEMO CC(C)(C)[C@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757146475 582530570 /nfs/dbraw/zinc/53/05/70/582530570.db2.gz UVLCNROCBFMHAI-SNVBAGLBSA-N 1 1 248.153 3.745 10 0 BHAEMO CC(C)C[C@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757146784 582530568 /nfs/dbraw/zinc/53/05/68/582530568.db2.gz UZHRPVMXNDBKBE-JTQLQIEISA-N 1 1 248.153 3.745 10 0 BHAEMO CC(C)C[C@@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757146789 582530254 /nfs/dbraw/zinc/53/02/54/582530254.db2.gz UZHRPVMXNDBKBE-SNVBAGLBSA-N 1 1 248.153 3.745 10 0 BHAEMO CC(C)[N@H+]1CCC=C(C2=CCCCC2)C1 ZINC000757565636 586461262 /nfs/dbraw/zinc/46/12/62/586461262.db2.gz HCLJSLMUQSIRHT-UHFFFAOYSA-N 1 1 205.345 3.527 10 0 BHAEMO CCC[N@H+]1CCC=C(C2=CCCCC2)C1 ZINC000757568549 586462120 /nfs/dbraw/zinc/46/21/20/586462120.db2.gz RODYCFVSARTBSX-UHFFFAOYSA-N 1 1 205.345 3.529 10 0 BHAEMO CCC[N@H+]1CCC[C@H](C2=CCCCC2)C1 ZINC000757569016 586462646 /nfs/dbraw/zinc/46/26/46/586462646.db2.gz UULPFHMXOZFWCA-AWEZNQCLSA-N 1 1 207.361 3.609 10 0 BHAEMO CCC[N@H+]1CCC[C@@H](C2=CCCCC2)C1 ZINC000757569018 586462401 /nfs/dbraw/zinc/46/24/01/586462401.db2.gz UULPFHMXOZFWCA-CQSZACIVSA-N 1 1 207.361 3.609 10 0 BHAEMO CC(C)[N@H+]1CCC[C@H](C2=CCCCC2)C1 ZINC000757569072 586462353 /nfs/dbraw/zinc/46/23/53/586462353.db2.gz VRYLKSRZPZLGDR-AWEZNQCLSA-N 1 1 207.361 3.607 10 0 BHAEMO CC(C)[N@H+]1CCC[C@@H](C2=CCCCC2)C1 ZINC000757569076 586365482 /nfs/dbraw/zinc/36/54/82/586365482.db2.gz VRYLKSRZPZLGDR-CQSZACIVSA-N 1 1 207.361 3.607 10 0 BHAEMO CCC[N@H+]1CCC=C(c2ccc(C)cc2F)C1 ZINC000757570062 586462769 /nfs/dbraw/zinc/46/27/69/586462769.db2.gz AMCOBMJWKVXPFU-UHFFFAOYSA-N 1 1 233.330 3.633 10 0 BHAEMO CCC[N@H+]1CCC=C(c2cccc3cc[nH]c32)C1 ZINC000757570162 586462415 /nfs/dbraw/zinc/46/24/15/586462415.db2.gz ATAARLQPPCJTJY-UHFFFAOYSA-N 1 1 240.350 3.667 10 0 BHAEMO CCC[N@H+]1CCC[C@@H](c2ccc(C)cc2F)C1 ZINC000757571423 586462668 /nfs/dbraw/zinc/46/26/68/586462668.db2.gz KTSNOLPXYXNOAJ-CYBMUJFWSA-N 1 1 235.346 3.724 10 0 BHAEMO CCC[N@H+]1CCC[C@H](c2ccc(C)cc2F)C1 ZINC000757571430 586462529 /nfs/dbraw/zinc/46/25/29/586462529.db2.gz KTSNOLPXYXNOAJ-ZDUSSCGKSA-N 1 1 235.346 3.724 10 0 BHAEMO CC[N@H+]1CCC=C(c2ccc(C3(C)CC3)cc2)C1 ZINC000757571889 586463074 /nfs/dbraw/zinc/46/30/74/586463074.db2.gz NHCSADBYYNYEMB-UHFFFAOYSA-N 1 1 241.378 3.847 10 0 BHAEMO Cc1ccc([C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000757572707 586382531 /nfs/dbraw/zinc/38/25/31/586382531.db2.gz SXAIQDILZUNMJZ-CYBMUJFWSA-N 1 1 235.346 3.722 10 0 BHAEMO Cc1ccc([C@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000757572709 586382617 /nfs/dbraw/zinc/38/26/17/586382617.db2.gz SXAIQDILZUNMJZ-ZDUSSCGKSA-N 1 1 235.346 3.722 10 0 BHAEMO Cc1ccc(C2=CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000757572830 586382934 /nfs/dbraw/zinc/38/29/34/586382934.db2.gz ULZIROOFPYYOCU-UHFFFAOYSA-N 1 1 233.330 3.632 10 0 BHAEMO CC(C)[N@H+]1CCC=C(c2cccc3cc[nH]c32)C1 ZINC000757572930 586462926 /nfs/dbraw/zinc/46/29/26/586462926.db2.gz VLURJEGVUVDHBW-UHFFFAOYSA-N 1 1 240.350 3.665 10 0 BHAEMO