smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC000928996273 648972085 /nfs/dbraw/zinc/97/20/85/648972085.db2.gz RBXNXRCRADDVQU-GXTWGEPZSA-N 2 2 274.412 2.581 50 0 CFAALP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCOCC1 ZINC000095973778 185049752 /nfs/dbraw/zinc/04/97/52/185049752.db2.gz ICNUITMGHYQALH-UHFFFAOYSA-N 2 2 290.451 2.913 50 0 CFAALP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCOCC1 ZINC000095973778 185049753 /nfs/dbraw/zinc/04/97/53/185049753.db2.gz ICNUITMGHYQALH-UHFFFAOYSA-N 2 2 290.451 2.913 50 0 CFAALP COc1ccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000095987221 185056148 /nfs/dbraw/zinc/05/61/48/185056148.db2.gz ARXQZBHUOVMGBM-MRXNPFEDSA-N 2 2 285.391 2.771 50 0 CFAALP COc1ccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000095987221 185056150 /nfs/dbraw/zinc/05/61/50/185056150.db2.gz ARXQZBHUOVMGBM-MRXNPFEDSA-N 2 2 285.391 2.771 50 0 CFAALP Cc1ncsc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000097377033 347709229 /nfs/dbraw/zinc/70/92/29/347709229.db2.gz VHTDSKVIFCLAIN-ZDUSSCGKSA-N 2 2 290.436 2.640 50 0 CFAALP Cc1ncsc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000097377033 347709230 /nfs/dbraw/zinc/70/92/30/347709230.db2.gz VHTDSKVIFCLAIN-ZDUSSCGKSA-N 2 2 290.436 2.640 50 0 CFAALP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)c3)CC2)C1 ZINC000584892483 348729062 /nfs/dbraw/zinc/72/90/62/348729062.db2.gz PJJHROFPFASYBJ-QGZVFWFLSA-N 2 2 287.451 2.648 50 0 CFAALP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)c3)CC2)C1 ZINC000584892483 348729065 /nfs/dbraw/zinc/72/90/65/348729065.db2.gz PJJHROFPFASYBJ-QGZVFWFLSA-N 2 2 287.451 2.648 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1scnc1C)CCC2 ZINC000089702105 179848715 /nfs/dbraw/zinc/84/87/15/179848715.db2.gz HSMSBKPANSPKRL-GFCCVEGCSA-N 2 2 276.409 2.624 50 0 CFAALP c1cn(CCCc2ccc(OCC[NH+]3CCCC3)cc2)c[nH+]1 ZINC000091756768 180247714 /nfs/dbraw/zinc/24/77/14/180247714.db2.gz FQFIHASTKXVGCD-UHFFFAOYSA-N 2 2 299.418 2.991 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000630061463 354994361 /nfs/dbraw/zinc/99/43/61/354994361.db2.gz XMVJMJIRVMEINJ-JQWIXIFHSA-N 2 2 279.334 2.978 50 0 CFAALP C[C@@H](c1ccncc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000169984105 540550184 /nfs/dbraw/zinc/55/01/84/540550184.db2.gz OADXKOGIJVDXRV-ZDUSSCGKSA-N 2 2 256.353 2.676 50 0 CFAALP CSc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000000237212 371564853 /nfs/dbraw/zinc/56/48/53/371564853.db2.gz NUFROYVMSKPINI-UHFFFAOYSA-N 2 2 264.438 2.935 50 0 CFAALP CSc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000000237212 371564856 /nfs/dbraw/zinc/56/48/56/371564856.db2.gz NUFROYVMSKPINI-UHFFFAOYSA-N 2 2 264.438 2.935 50 0 CFAALP Cc1cc(Cn2cc[nH+]c2)c(C)cc1Cn1cc[nH+]c1 ZINC000000499734 371632005 /nfs/dbraw/zinc/63/20/05/371632005.db2.gz NYAUDKLEAIYMOH-UHFFFAOYSA-N 2 2 266.348 2.793 50 0 CFAALP c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2[nH]nc3c2CCC3)c[nH+]1 ZINC000019792496 372187511 /nfs/dbraw/zinc/18/75/11/372187511.db2.gz HLAANPUVHKRVHS-AWEZNQCLSA-N 2 2 299.422 2.540 50 0 CFAALP c1cn(CC[C@@H]2CCCC[N@H+]2Cc2[nH]nc3c2CCC3)c[nH+]1 ZINC000019792496 372187517 /nfs/dbraw/zinc/18/75/17/372187517.db2.gz HLAANPUVHKRVHS-AWEZNQCLSA-N 2 2 299.422 2.540 50 0 CFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000022935942 372248759 /nfs/dbraw/zinc/24/87/59/372248759.db2.gz LHLIZBJUZOKQEE-AWEZNQCLSA-N 2 2 252.789 2.914 50 0 CFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000022935942 372248761 /nfs/dbraw/zinc/24/87/61/372248761.db2.gz LHLIZBJUZOKQEE-AWEZNQCLSA-N 2 2 252.789 2.914 50 0 CFAALP C[N@H+](CC[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000049592562 373313125 /nfs/dbraw/zinc/31/31/25/373313125.db2.gz RCBAMLARYBKJCA-UHFFFAOYSA-N 2 2 254.377 2.908 50 0 CFAALP C[N@@H+](CC[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000049592562 373313131 /nfs/dbraw/zinc/31/31/31/373313131.db2.gz RCBAMLARYBKJCA-UHFFFAOYSA-N 2 2 254.377 2.908 50 0 CFAALP Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)s1 ZINC000067834167 374006937 /nfs/dbraw/zinc/00/69/37/374006937.db2.gz UPGFEIXZQFXLMG-CYBMUJFWSA-N 2 2 250.411 2.773 50 0 CFAALP Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)s1 ZINC000067834167 374006944 /nfs/dbraw/zinc/00/69/44/374006944.db2.gz UPGFEIXZQFXLMG-CYBMUJFWSA-N 2 2 250.411 2.773 50 0 CFAALP Cc1cc2c(c(-c3ccc(C)[nH+]c3C)c1)O[C@H](C[NH3+])C2 ZINC000067842199 374006962 /nfs/dbraw/zinc/00/69/62/374006962.db2.gz PMHKIGMZWZJHPV-AWEZNQCLSA-N 2 2 268.360 2.936 50 0 CFAALP Fc1cccc2[nH]c(C[NH+]3CCC(n4cc[nH+]c4)CC3)nc21 ZINC000071897227 374229794 /nfs/dbraw/zinc/22/97/94/374229794.db2.gz YSOCDWJQHUFUMA-UHFFFAOYSA-N 2 2 299.353 2.736 50 0 CFAALP Cc1nc(C[NH+]2CCC([C@H](C)[NH+]3CCCC3)CC2)co1 ZINC000072476233 374256198 /nfs/dbraw/zinc/25/61/98/374256198.db2.gz OUVXNWQNAOJBMO-ZDUSSCGKSA-N 2 2 277.412 2.679 50 0 CFAALP COc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082098374 374727065 /nfs/dbraw/zinc/72/70/65/374727065.db2.gz LGSDAHKEYZLAHI-OAHLLOKOSA-N 2 2 285.391 2.808 50 0 CFAALP COc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082098374 374727071 /nfs/dbraw/zinc/72/70/71/374727071.db2.gz LGSDAHKEYZLAHI-OAHLLOKOSA-N 2 2 285.391 2.808 50 0 CFAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(C3CC3)n1)CCC2 ZINC000084613350 374783990 /nfs/dbraw/zinc/78/39/90/374783990.db2.gz PSSMQUNESPHNEX-GFCCVEGCSA-N 2 2 288.420 2.884 50 0 CFAALP Cc1cccn2c(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)cnc12 ZINC000089700479 374938300 /nfs/dbraw/zinc/93/83/00/374938300.db2.gz AQZHEAFRHXJOEQ-CQSZACIVSA-N 2 2 295.390 2.506 50 0 CFAALP CC(C)c1noc([C@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000089893625 374965572 /nfs/dbraw/zinc/96/55/72/374965572.db2.gz HRNCQFHZFBZDRX-RYUDHWBXSA-N 2 2 289.383 2.618 50 0 CFAALP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc1 ZINC000097376958 375554964 /nfs/dbraw/zinc/55/49/64/375554964.db2.gz BAOYKEQOQKOULW-HNNXBMFYSA-N 2 2 284.407 2.578 50 0 CFAALP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc1 ZINC000097376958 375554971 /nfs/dbraw/zinc/55/49/71/375554971.db2.gz BAOYKEQOQKOULW-HNNXBMFYSA-N 2 2 284.407 2.578 50 0 CFAALP CC[NH+]1CCN(c2cc(C)c3ccc(OC)cc3[nH+]2)CC1 ZINC000100844894 375630151 /nfs/dbraw/zinc/63/01/51/375630151.db2.gz MNHUPYMQGWNISM-UHFFFAOYSA-N 2 2 285.391 2.694 50 0 CFAALP Fc1ccc(C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000131402303 377707067 /nfs/dbraw/zinc/70/70/67/377707067.db2.gz QDRXATSKMKYXIS-HNNXBMFYSA-N 2 2 273.355 2.587 50 0 CFAALP Fc1ccc(C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000131402303 377707074 /nfs/dbraw/zinc/70/70/74/377707074.db2.gz QDRXATSKMKYXIS-HNNXBMFYSA-N 2 2 273.355 2.587 50 0 CFAALP Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCC[NH2+]C1 ZINC000169676752 379108035 /nfs/dbraw/zinc/10/80/35/379108035.db2.gz XZYYDISDJKVDNC-AWEZNQCLSA-N 2 2 255.365 2.858 50 0 CFAALP Nc1cc(C[N@H+]2CCSC3(CCCCC3)C2)cc[nH+]1 ZINC000191538896 382701293 /nfs/dbraw/zinc/70/12/93/382701293.db2.gz GNGUOXUZDVXGIK-UHFFFAOYSA-N 2 2 277.437 2.916 50 0 CFAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000215345085 382778388 /nfs/dbraw/zinc/77/83/88/382778388.db2.gz YXWNOLZXEWSTJO-CQSZACIVSA-N 2 2 260.381 2.541 50 0 CFAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000215345085 382778390 /nfs/dbraw/zinc/77/83/90/382778390.db2.gz YXWNOLZXEWSTJO-CQSZACIVSA-N 2 2 260.381 2.541 50 0 CFAALP CC(=O)c1cc(C[N@@H+](C)CCCc2[nH+]ccn2C)cs1 ZINC000215456749 382779064 /nfs/dbraw/zinc/77/90/64/382779064.db2.gz JQBRRXCOBHHIFS-UHFFFAOYSA-N 2 2 291.420 2.749 50 0 CFAALP CC(=O)c1cc(C[N@H+](C)CCCc2[nH+]ccn2C)cs1 ZINC000215456749 382779067 /nfs/dbraw/zinc/77/90/67/382779067.db2.gz JQBRRXCOBHHIFS-UHFFFAOYSA-N 2 2 291.420 2.749 50 0 CFAALP CCc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)nc1 ZINC000216184578 382782139 /nfs/dbraw/zinc/78/21/39/382782139.db2.gz GTQJQNAPTVNZFX-UHFFFAOYSA-N 2 2 263.429 2.664 50 0 CFAALP CCc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)nc1 ZINC000216184578 382782140 /nfs/dbraw/zinc/78/21/40/382782140.db2.gz GTQJQNAPTVNZFX-UHFFFAOYSA-N 2 2 263.429 2.664 50 0 CFAALP CCS[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000233840854 382872339 /nfs/dbraw/zinc/87/23/39/382872339.db2.gz ATQCPKJYYGGPLX-CHWSQXEVSA-N 2 2 253.415 2.537 50 0 CFAALP C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000585117575 383114804 /nfs/dbraw/zinc/11/48/04/383114804.db2.gz LYWDZPVSJTZQPQ-HNAYVOBHSA-N 2 2 298.430 2.960 50 0 CFAALP C[N@@H+]1CCO[C@@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000286386696 385605349 /nfs/dbraw/zinc/60/53/49/385605349.db2.gz SUHBTGHAMRNUJF-NSHDSACASA-N 2 2 291.782 2.631 50 0 CFAALP C[N@H+]1CCO[C@@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000286386696 385605351 /nfs/dbraw/zinc/60/53/51/385605351.db2.gz SUHBTGHAMRNUJF-NSHDSACASA-N 2 2 291.782 2.631 50 0 CFAALP CCCn1cc(C[NH2+]CC[NH+](C)C)c2ccccc21 ZINC000045946186 175387950 /nfs/dbraw/zinc/38/79/50/175387950.db2.gz BQLXNDXWZMPIGV-UHFFFAOYSA-N 2 2 259.397 2.703 50 0 CFAALP C[C@H](c1cccnc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000069369938 175825052 /nfs/dbraw/zinc/82/50/52/175825052.db2.gz SNAWOHJDNNFVST-CQSZACIVSA-N 2 2 259.397 2.703 50 0 CFAALP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(O)cc2Cl)CC1 ZINC000072157597 176329429 /nfs/dbraw/zinc/32/94/29/176329429.db2.gz QXMCFGNUEZHBMN-ZDUSSCGKSA-N 2 2 282.815 2.962 50 0 CFAALP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2Cl)CC1 ZINC000072157597 176329431 /nfs/dbraw/zinc/32/94/31/176329431.db2.gz QXMCFGNUEZHBMN-ZDUSSCGKSA-N 2 2 282.815 2.962 50 0 CFAALP Nc1cc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)nc[nH+]1 ZINC000072409964 176398219 /nfs/dbraw/zinc/39/82/19/176398219.db2.gz ARLYWKHYFZEZTL-CQSZACIVSA-N 2 2 289.427 2.515 50 0 CFAALP Nc1cc(N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)nc[nH+]1 ZINC000072409964 176398220 /nfs/dbraw/zinc/39/82/20/176398220.db2.gz ARLYWKHYFZEZTL-CQSZACIVSA-N 2 2 289.427 2.515 50 0 CFAALP Cc1cc(CSC(N)=[NH2+])c(O)c(C(C)(C)C)[nH+]1 ZINC000022019057 280499200 /nfs/dbraw/zinc/49/92/00/280499200.db2.gz PIAGHSZNJTYZPY-UHFFFAOYSA-N 2 2 253.371 2.520 50 0 CFAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000191986232 324056274 /nfs/dbraw/zinc/05/62/74/324056274.db2.gz VBFHZDZELVOTAN-OAHLLOKOSA-N 2 2 285.391 2.792 50 0 CFAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCO[C@H](C)C1 ZINC000191986232 324056277 /nfs/dbraw/zinc/05/62/77/324056277.db2.gz VBFHZDZELVOTAN-OAHLLOKOSA-N 2 2 285.391 2.792 50 0 CFAALP C[C@@H]1CCCC[N@@H+]1CCN(C)Cc1c[nH+]cn1C1CC1 ZINC000252494842 545529749 /nfs/dbraw/zinc/52/97/49/545529749.db2.gz OGJGMRBZADGORH-CQSZACIVSA-N 2 2 276.428 2.524 50 0 CFAALP C[C@@H]1CCCC[N@H+]1CCN(C)Cc1c[nH+]cn1C1CC1 ZINC000252494842 545529753 /nfs/dbraw/zinc/52/97/53/545529753.db2.gz OGJGMRBZADGORH-CQSZACIVSA-N 2 2 276.428 2.524 50 0 CFAALP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(F)c1F ZINC000095986038 185056277 /nfs/dbraw/zinc/05/62/77/185056277.db2.gz CDRAITWTFHBQQE-JTQLQIEISA-N 2 2 251.280 2.512 50 0 CFAALP CC(C)[NH2+]C1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000095992544 185059211 /nfs/dbraw/zinc/05/92/11/185059211.db2.gz PTHBNHZROHYLAY-UHFFFAOYSA-N 2 2 274.408 2.722 50 0 CFAALP c1cc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccn1 ZINC000096012980 185065899 /nfs/dbraw/zinc/06/58/99/185065899.db2.gz MEAAZDSNLDEZHR-QGZVFWFLSA-N 2 2 283.375 2.563 50 0 CFAALP c1cc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccn1 ZINC000096012980 185065900 /nfs/dbraw/zinc/06/59/00/185065900.db2.gz MEAAZDSNLDEZHR-QGZVFWFLSA-N 2 2 283.375 2.563 50 0 CFAALP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2ccc(F)cc2o1 ZINC000096490569 529899087 /nfs/dbraw/zinc/89/90/87/529899087.db2.gz RUSQUNXJIWPBDZ-UHFFFAOYSA-N 2 2 288.326 2.686 50 0 CFAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2ccc(F)cc2o1 ZINC000096490569 529899088 /nfs/dbraw/zinc/89/90/88/529899088.db2.gz RUSQUNXJIWPBDZ-UHFFFAOYSA-N 2 2 288.326 2.686 50 0 CFAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ncc[nH]2)cc1 ZINC000086279294 179263071 /nfs/dbraw/zinc/26/30/71/179263071.db2.gz BYBXZPGPYJVCCX-GFCCVEGCSA-N 2 2 281.363 2.755 50 0 CFAALP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)C1 ZINC000096477796 347702180 /nfs/dbraw/zinc/70/21/80/347702180.db2.gz SJWDMGQGTMSJTA-OQUILHJVSA-N 2 2 294.414 2.566 50 0 CFAALP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)C1 ZINC000096477796 347702183 /nfs/dbraw/zinc/70/21/83/347702183.db2.gz SJWDMGQGTMSJTA-OQUILHJVSA-N 2 2 294.414 2.566 50 0 CFAALP Cc1ccccc1COC1CC[NH+](CC[NH2+]C(C)C)CC1 ZINC000225396504 348177563 /nfs/dbraw/zinc/17/75/63/348177563.db2.gz UCXHAUIZFDMBHA-UHFFFAOYSA-N 2 2 290.451 2.974 50 0 CFAALP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC000584884367 348726294 /nfs/dbraw/zinc/72/62/94/348726294.db2.gz HDDDADWSBOUWOE-AWEZNQCLSA-N 2 2 293.842 2.603 50 0 CFAALP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC000584884367 348726296 /nfs/dbraw/zinc/72/62/96/348726296.db2.gz HDDDADWSBOUWOE-AWEZNQCLSA-N 2 2 293.842 2.603 50 0 CFAALP CCc1[nH+]ccn1C[C@H](C)[N@H+](C)Cc1cc(C)cc(C)n1 ZINC000584888427 348728089 /nfs/dbraw/zinc/72/80/89/348728089.db2.gz LQQODAVKSSNJCH-HNNXBMFYSA-N 2 2 286.423 2.978 50 0 CFAALP CCc1[nH+]ccn1C[C@H](C)[N@@H+](C)Cc1cc(C)cc(C)n1 ZINC000584888427 348728095 /nfs/dbraw/zinc/72/80/95/348728095.db2.gz LQQODAVKSSNJCH-HNNXBMFYSA-N 2 2 286.423 2.978 50 0 CFAALP Cc1c[nH+]c(N)nc1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000091305861 180131409 /nfs/dbraw/zinc/13/14/09/180131409.db2.gz VEFYFUZLXJSZGV-HNNXBMFYSA-N 2 2 297.406 2.616 50 0 CFAALP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(Cl)c1OC ZINC000106366645 186110394 /nfs/dbraw/zinc/11/03/94/186110394.db2.gz VGGHMTVYRKTKLL-UHFFFAOYSA-N 2 2 298.814 2.541 50 0 CFAALP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000091264086 540392742 /nfs/dbraw/zinc/39/27/42/540392742.db2.gz VMXJGTBPHDEWSM-QGZVFWFLSA-N 2 2 285.391 2.805 50 0 CFAALP Cc1noc([C@H]([NH2+][C@H](C)Cn2c[nH+]c(C)c2C)C(C)C)n1 ZINC000091724501 540398543 /nfs/dbraw/zinc/39/85/43/540398543.db2.gz AJYJZSLADURHGA-QMTHXVAHSA-N 2 2 291.399 2.567 50 0 CFAALP CCc1[nH+]ccn1C[C@H](C)[NH+]1CC(Oc2ccc(C)cc2)C1 ZINC000670438597 540995063 /nfs/dbraw/zinc/99/50/63/540995063.db2.gz ZZJGSWQSCNUFIQ-HNNXBMFYSA-N 2 2 299.418 2.906 50 0 CFAALP CCCCc1[nH]c(CN(C)C[C@@H]2CC[N@H+](CC)C2)c[nH+]1 ZINC000670438674 540995135 /nfs/dbraw/zinc/99/51/35/540995135.db2.gz FWNTZYPFXJHVTH-AWEZNQCLSA-N 2 2 278.444 2.526 50 0 CFAALP CCCCc1[nH]c(CN(C)C[C@@H]2CC[N@@H+](CC)C2)c[nH+]1 ZINC000670438674 540995137 /nfs/dbraw/zinc/99/51/37/540995137.db2.gz FWNTZYPFXJHVTH-AWEZNQCLSA-N 2 2 278.444 2.526 50 0 CFAALP Cn1c(CCC[NH2+][C@H]2CCSC2)[nH+]c2ccccc21 ZINC000181021032 189286559 /nfs/dbraw/zinc/28/65/59/189286559.db2.gz MIWKPHMGKUMGFV-LBPRGKRZSA-N 2 2 275.421 2.601 50 0 CFAALP C[N@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000000240146 371565756 /nfs/dbraw/zinc/56/57/56/371565756.db2.gz YYVXLKZUGITOCC-UHFFFAOYSA-N 2 2 297.240 2.975 50 0 CFAALP C[N@@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000000240146 371565760 /nfs/dbraw/zinc/56/57/60/371565760.db2.gz YYVXLKZUGITOCC-UHFFFAOYSA-N 2 2 297.240 2.975 50 0 CFAALP CCOc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000000240661 371566338 /nfs/dbraw/zinc/56/63/38/371566338.db2.gz MVNRRVUWVKJOHU-UHFFFAOYSA-N 2 2 262.397 2.611 50 0 CFAALP CCOc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000000240661 371566344 /nfs/dbraw/zinc/56/63/44/371566344.db2.gz MVNRRVUWVKJOHU-UHFFFAOYSA-N 2 2 262.397 2.611 50 0 CFAALP COc1ccc2c(C)cc(N3CCC[N@H+](C)CC3)[nH+]c2c1 ZINC000004996825 371878185 /nfs/dbraw/zinc/87/81/85/371878185.db2.gz HUQNEFYWZNSUAL-UHFFFAOYSA-N 2 2 285.391 2.694 50 0 CFAALP COc1ccc2c(C)cc(N3CCC[N@@H+](C)CC3)[nH+]c2c1 ZINC000004996825 371878193 /nfs/dbraw/zinc/87/81/93/371878193.db2.gz HUQNEFYWZNSUAL-UHFFFAOYSA-N 2 2 285.391 2.694 50 0 CFAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050227812 373364888 /nfs/dbraw/zinc/36/48/88/373364888.db2.gz NZVSWPFFBLBRJP-QGZVFWFLSA-N 2 2 252.361 2.887 50 0 CFAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050227812 373364899 /nfs/dbraw/zinc/36/48/99/373364899.db2.gz NZVSWPFFBLBRJP-QGZVFWFLSA-N 2 2 252.361 2.887 50 0 CFAALP Cc1ncc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000065552726 373886888 /nfs/dbraw/zinc/88/68/88/373886888.db2.gz LVMDYHGHKSSNJK-ZDUSSCGKSA-N 2 2 288.420 2.781 50 0 CFAALP Cc1ncc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000065552726 373886898 /nfs/dbraw/zinc/88/68/98/373886898.db2.gz LVMDYHGHKSSNJK-ZDUSSCGKSA-N 2 2 288.420 2.781 50 0 CFAALP c1ccc([C@H]2CC[N@@H+](CC[NH2+]C3CCSCC3)C2)cc1 ZINC000065381969 373861076 /nfs/dbraw/zinc/86/10/76/373861076.db2.gz ZNENECPMJDDOOP-INIZCTEOSA-N 2 2 290.476 2.961 50 0 CFAALP c1ccc([C@H]2CC[N@H+](CC[NH2+]C3CCSCC3)C2)cc1 ZINC000065381969 373861082 /nfs/dbraw/zinc/86/10/82/373861082.db2.gz ZNENECPMJDDOOP-INIZCTEOSA-N 2 2 290.476 2.961 50 0 CFAALP CCc1nc(NC2(C[NH+]3CCCCC3)CC2)cc(C)[nH+]1 ZINC000065387586 373863397 /nfs/dbraw/zinc/86/33/97/373863397.db2.gz UFKRZVDRGNHWKM-UHFFFAOYSA-N 2 2 274.412 2.778 50 0 CFAALP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3F)CC2)cc1 ZINC000067934264 374015792 /nfs/dbraw/zinc/01/57/92/374015792.db2.gz PZONEOIDDKSMGP-UHFFFAOYSA-N 2 2 285.366 2.851 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3c1OCO3)CCC2 ZINC000084257816 374772227 /nfs/dbraw/zinc/77/22/27/374772227.db2.gz HCPJWIJRMRNHMK-CQSZACIVSA-N 2 2 299.374 2.587 50 0 CFAALP C[C@@H]1C[C@H]([NH2+]C2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000084686460 374786843 /nfs/dbraw/zinc/78/68/43/374786843.db2.gz ZYVVPHVLBUQSDH-YKWDICOMSA-N 2 2 288.435 2.543 50 0 CFAALP C[C@@H]1C[C@H]([NH2+]C2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000084686460 374786844 /nfs/dbraw/zinc/78/68/44/374786844.db2.gz ZYVVPHVLBUQSDH-YKWDICOMSA-N 2 2 288.435 2.543 50 0 CFAALP CC(C)c1noc([C@@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)n1 ZINC000089893626 374965126 /nfs/dbraw/zinc/96/51/26/374965126.db2.gz HRNCQFHZFBZDRX-VXGBXAGGSA-N 2 2 289.383 2.618 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000095988150 375464560 /nfs/dbraw/zinc/46/45/60/375464560.db2.gz IWCLPZAQHOGIPC-ZACQAIPSSA-N 2 2 286.419 2.870 50 0 CFAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](CCOC)C1 ZINC000095384972 375427207 /nfs/dbraw/zinc/42/72/07/375427207.db2.gz NMEIPKZVWCUFHN-AWEZNQCLSA-N 2 2 265.401 2.509 50 0 CFAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCOC)C1 ZINC000095384972 375427212 /nfs/dbraw/zinc/42/72/12/375427212.db2.gz NMEIPKZVWCUFHN-AWEZNQCLSA-N 2 2 265.401 2.509 50 0 CFAALP Cc1ccc([C@@H](C)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)o1 ZINC000095387208 375428360 /nfs/dbraw/zinc/42/83/60/375428360.db2.gz CTNLLRREMKGLJS-NSHDSACASA-N 2 2 259.353 2.863 50 0 CFAALP Cc1ccc([C@@H](C)CC[N@H+]2CCc3[nH+]c[nH]c3C2)o1 ZINC000095387208 375428364 /nfs/dbraw/zinc/42/83/64/375428364.db2.gz CTNLLRREMKGLJS-NSHDSACASA-N 2 2 259.353 2.863 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1occc1C)CCC2 ZINC000095402057 375431572 /nfs/dbraw/zinc/43/15/72/375431572.db2.gz SZQZXKHBDZAYCW-ZDUSSCGKSA-N 2 2 259.353 2.760 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1occc1C)CCC2 ZINC000095402058 375431646 /nfs/dbraw/zinc/43/16/46/375431646.db2.gz SZQZXKHBDZAYCW-CYBMUJFWSA-N 2 2 259.353 2.760 50 0 CFAALP c1cn(CCC[NH2+][C@@H]2CSCCc3ccccc32)c[nH+]1 ZINC000095419101 375439473 /nfs/dbraw/zinc/43/94/73/375439473.db2.gz JATLXCWZDFXGEO-MRXNPFEDSA-N 2 2 287.432 2.893 50 0 CFAALP Cc1ccc(NC[C@@H]2CC[N@@H+](CCOC(C)C)C2)[nH+]c1 ZINC000097200781 375539574 /nfs/dbraw/zinc/53/95/74/375539574.db2.gz UDAHHPXCXOLRPG-HNNXBMFYSA-N 2 2 277.412 2.549 50 0 CFAALP Cc1ccc(NC[C@@H]2CC[N@H+](CCOC(C)C)C2)[nH+]c1 ZINC000097200781 375539577 /nfs/dbraw/zinc/53/95/77/375539577.db2.gz UDAHHPXCXOLRPG-HNNXBMFYSA-N 2 2 277.412 2.549 50 0 CFAALP CCCCSc1ncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC000097259149 375546613 /nfs/dbraw/zinc/54/66/13/375546613.db2.gz RYPZPDSSCNOYID-AWEZNQCLSA-N 2 2 294.468 2.682 50 0 CFAALP CCCCSc1ncc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC000097259149 375546617 /nfs/dbraw/zinc/54/66/17/375546617.db2.gz RYPZPDSSCNOYID-AWEZNQCLSA-N 2 2 294.468 2.682 50 0 CFAALP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)ccc2O1 ZINC000097495570 375566730 /nfs/dbraw/zinc/56/67/30/375566730.db2.gz CKWCBYZRLZFWTB-ZBFHGGJFSA-N 2 2 286.419 2.584 50 0 CFAALP CC1(C)Cc2cc(C[N@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)ccc2O1 ZINC000097495570 375566735 /nfs/dbraw/zinc/56/67/35/375566735.db2.gz CKWCBYZRLZFWTB-ZBFHGGJFSA-N 2 2 286.419 2.584 50 0 CFAALP c1coc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)cc2)c1 ZINC000097570820 375568889 /nfs/dbraw/zinc/56/88/89/375568889.db2.gz ONQNTCASKDYLDP-JKSUJKDBSA-N 2 2 268.360 2.740 50 0 CFAALP c1coc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)cc2)c1 ZINC000097570820 375568892 /nfs/dbraw/zinc/56/88/92/375568892.db2.gz ONQNTCASKDYLDP-JKSUJKDBSA-N 2 2 268.360 2.740 50 0 CFAALP OCC[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000342040100 381208195 /nfs/dbraw/zinc/20/81/95/381208195.db2.gz BNFHGFXSCTXDDD-QGZVFWFLSA-N 2 2 299.418 2.999 50 0 CFAALP OCC[C@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000342040100 381208206 /nfs/dbraw/zinc/20/82/06/381208206.db2.gz BNFHGFXSCTXDDD-QGZVFWFLSA-N 2 2 299.418 2.999 50 0 CFAALP CC1(C)C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2O1 ZINC000377547070 382289477 /nfs/dbraw/zinc/28/94/77/382289477.db2.gz ZCTUTATUNKCOKM-UHFFFAOYSA-N 2 2 271.364 2.556 50 0 CFAALP C[C@H](c1ccc(C[N@H+](C)CCn2cc[nH+]c2)cc1)[NH+](C)C ZINC000215353177 382778746 /nfs/dbraw/zinc/77/87/46/382778746.db2.gz SUOHSGAPMQOQAT-OAHLLOKOSA-N 3 2 286.423 2.638 50 0 CFAALP C[C@H](c1ccc(C[N@@H+](C)CCn2cc[nH+]c2)cc1)[NH+](C)C ZINC000215353177 382778748 /nfs/dbraw/zinc/77/87/48/382778748.db2.gz SUOHSGAPMQOQAT-OAHLLOKOSA-N 3 2 286.423 2.638 50 0 CFAALP Cc1noc([C@H](C)[N@H+](C)Cc2cc(C[NH+](C)C)cs2)n1 ZINC000215539834 382779274 /nfs/dbraw/zinc/77/92/74/382779274.db2.gz HZUVYTULSAQRSE-JTQLQIEISA-N 2 2 294.424 2.694 50 0 CFAALP Cc1noc([C@H](C)[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)n1 ZINC000215539834 382779275 /nfs/dbraw/zinc/77/92/75/382779275.db2.gz HZUVYTULSAQRSE-JTQLQIEISA-N 2 2 294.424 2.694 50 0 CFAALP C[N@H+](CCn1cc[nH+]c1)Cc1ccc2cc(F)ccc2n1 ZINC000215605847 382779532 /nfs/dbraw/zinc/77/95/32/382779532.db2.gz FKTMFRTVRLKYQE-UHFFFAOYSA-N 2 2 284.338 2.702 50 0 CFAALP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc2cc(F)ccc2n1 ZINC000215605847 382779534 /nfs/dbraw/zinc/77/95/34/382779534.db2.gz FKTMFRTVRLKYQE-UHFFFAOYSA-N 2 2 284.338 2.702 50 0 CFAALP CCC(CC)[NH+]1CCC([N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000225410225 382815574 /nfs/dbraw/zinc/81/55/74/382815574.db2.gz RSSYKOUHCFKMGS-GJZGRUSLSA-N 3 2 281.488 2.699 50 0 CFAALP CCC(CC)[NH+]1CCC([N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000225410225 382815576 /nfs/dbraw/zinc/81/55/76/382815576.db2.gz RSSYKOUHCFKMGS-GJZGRUSLSA-N 3 2 281.488 2.699 50 0 CFAALP Cc1[nH+]ccn1Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000225491702 382817068 /nfs/dbraw/zinc/81/70/68/382817068.db2.gz KRKSJHRXNORNBY-UHFFFAOYSA-N 2 2 267.336 2.575 50 0 CFAALP COc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237170127 382951637 /nfs/dbraw/zinc/95/16/37/382951637.db2.gz ADCSOJXYJZOYLJ-UHFFFAOYSA-N 2 2 297.402 2.849 50 0 CFAALP Cn1c[nH+]cc1C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000112340499 412989818 /nfs/dbraw/zinc/98/98/18/412989818.db2.gz XIKARMBRPOHWEB-MNOVXSKESA-N 2 2 261.291 2.631 50 0 CFAALP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCOC)CC1 ZINC000093299789 393797319 /nfs/dbraw/zinc/79/73/19/393797319.db2.gz IQQPXQYAQDJOAA-UHFFFAOYSA-N 2 2 287.407 2.882 50 0 CFAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C2 ZINC000252510122 393937285 /nfs/dbraw/zinc/93/72/85/393937285.db2.gz ZBVOQQIZZABFRE-GXTWGEPZSA-N 2 2 271.364 2.563 50 0 CFAALP C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@@H]1n1cc[nH+]c1 ZINC000095981732 265321501 /nfs/dbraw/zinc/32/15/01/265321501.db2.gz KXUQRNXNKQXREX-ZBFHGGJFSA-N 2 2 295.390 2.614 50 0 CFAALP C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@@H]1n1cc[nH+]c1 ZINC000095981732 265321502 /nfs/dbraw/zinc/32/15/02/265321502.db2.gz KXUQRNXNKQXREX-ZBFHGGJFSA-N 2 2 295.390 2.614 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C)o1)CCC2 ZINC000089656087 281550325 /nfs/dbraw/zinc/55/03/25/281550325.db2.gz VUVXLIPXECFFFR-ZDUSSCGKSA-N 2 2 259.353 2.760 50 0 CFAALP Cc1nc(N(C)CC[C@H](C)[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC000095369729 293225604 /nfs/dbraw/zinc/22/56/04/293225604.db2.gz APQUGBJJEATAJA-LBPRGKRZSA-N 2 2 276.428 2.712 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000071837265 302480585 /nfs/dbraw/zinc/48/05/85/302480585.db2.gz LHQWWJVTAPHMMH-QGZVFWFLSA-N 2 2 286.423 2.727 50 0 CFAALP Cc1ccc(C)c([C@@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000096443313 533712386 /nfs/dbraw/zinc/71/23/86/533712386.db2.gz NHYRCDQLXZTULA-SFHVURJKSA-N 2 2 290.451 2.799 50 0 CFAALP Fc1ccccc1[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000096493068 534534404 /nfs/dbraw/zinc/53/44/04/534534404.db2.gz DNJRUQJCVABKGN-AWEZNQCLSA-N 2 2 273.355 2.902 50 0 CFAALP Fc1ccccc1[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000096493068 534534410 /nfs/dbraw/zinc/53/44/10/534534410.db2.gz DNJRUQJCVABKGN-AWEZNQCLSA-N 2 2 273.355 2.902 50 0 CFAALP Cc1cccc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)[nH+]1 ZINC000158038251 136549245 /nfs/dbraw/zinc/54/92/45/136549245.db2.gz DJFSIYZXEKEDBA-CQSZACIVSA-N 2 2 270.380 2.583 50 0 CFAALP Clc1c[nH+]ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479866 347589120 /nfs/dbraw/zinc/58/91/20/347589120.db2.gz DZXWFNHMTIAXNV-SNVBAGLBSA-N 2 2 262.744 2.842 50 0 CFAALP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCSC3)[nH]c21 ZINC000584893108 348729039 /nfs/dbraw/zinc/72/90/39/348729039.db2.gz SHWBDFJUUZIESB-GFCCVEGCSA-N 2 2 275.421 2.899 50 0 CFAALP Cc1cccc2[nH]c(CC[NH2+][C@@H]3CCCSC3)[nH+]c21 ZINC000584893108 348729041 /nfs/dbraw/zinc/72/90/41/348729041.db2.gz SHWBDFJUUZIESB-GFCCVEGCSA-N 2 2 275.421 2.899 50 0 CFAALP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000584896001 348731224 /nfs/dbraw/zinc/73/12/24/348731224.db2.gz HZQGHFNMCCVSRX-QGZVFWFLSA-N 2 2 287.451 2.648 50 0 CFAALP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000584896001 348731227 /nfs/dbraw/zinc/73/12/27/348731227.db2.gz HZQGHFNMCCVSRX-QGZVFWFLSA-N 2 2 287.451 2.648 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000294656524 199125760 /nfs/dbraw/zinc/12/57/60/199125760.db2.gz CIVQBEGLPDGFIE-YWPYICTPSA-N 2 2 273.380 2.500 50 0 CFAALP CSc1ccc(C[N@@H+]2CCO[C@@H](CC[NH+](C)C)C2)cc1 ZINC000011935056 371938440 /nfs/dbraw/zinc/93/84/40/371938440.db2.gz KEOAWLUEGHQKPG-HNNXBMFYSA-N 2 2 294.464 2.561 50 0 CFAALP CSc1ccc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)cc1 ZINC000011935056 371938447 /nfs/dbraw/zinc/93/84/47/371938447.db2.gz KEOAWLUEGHQKPG-HNNXBMFYSA-N 2 2 294.464 2.561 50 0 CFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000022935906 372249168 /nfs/dbraw/zinc/24/91/68/372249168.db2.gz SOSKTAAFCABETK-AWEZNQCLSA-N 2 2 252.789 2.914 50 0 CFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000022935906 372249174 /nfs/dbraw/zinc/24/91/74/372249174.db2.gz SOSKTAAFCABETK-AWEZNQCLSA-N 2 2 252.789 2.914 50 0 CFAALP CC(C)Oc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000032105900 372427601 /nfs/dbraw/zinc/42/76/01/372427601.db2.gz HMBDTZNRXNAFCY-UHFFFAOYSA-N 2 2 250.386 2.515 50 0 CFAALP [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000038808916 372775613 /nfs/dbraw/zinc/77/56/13/372775613.db2.gz FNLFYBHUAIQAHA-LBPRGKRZSA-N 2 2 258.287 2.801 50 0 CFAALP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055343317 373549189 /nfs/dbraw/zinc/54/91/89/373549189.db2.gz JNLZBEOACPNPRC-UHFFFAOYSA-N 2 2 258.369 2.580 50 0 CFAALP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055343317 373549196 /nfs/dbraw/zinc/54/91/96/373549196.db2.gz JNLZBEOACPNPRC-UHFFFAOYSA-N 2 2 258.369 2.580 50 0 CFAALP CC(C)c1cccc(N2CC[NH+](Cc3cccnc3)CC2)[nH+]1 ZINC000065395475 373863643 /nfs/dbraw/zinc/86/36/43/373863643.db2.gz WMHCLFGBMNYRHW-UHFFFAOYSA-N 2 2 296.418 2.922 50 0 CFAALP c1cn(C[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c[nH+]1 ZINC000065408276 373868226 /nfs/dbraw/zinc/86/82/26/373868226.db2.gz ZPDXLVSVDBHUHT-KRWDZBQOSA-N 2 2 269.392 2.838 50 0 CFAALP c1cn(C[C@H]2CCC[N@H+](CCc3ccccc3)C2)c[nH+]1 ZINC000065408276 373868229 /nfs/dbraw/zinc/86/82/29/373868229.db2.gz ZPDXLVSVDBHUHT-KRWDZBQOSA-N 2 2 269.392 2.838 50 0 CFAALP CC[N@@H+]1CCC[C@H]1CNc1cc(C(C)C)[nH+]c(C)n1 ZINC000067754637 373998858 /nfs/dbraw/zinc/99/88/58/373998858.db2.gz GZPLUOMTGHNIJB-ZDUSSCGKSA-N 2 2 262.401 2.805 50 0 CFAALP CC[N@H+]1CCC[C@H]1CNc1cc(C(C)C)[nH+]c(C)n1 ZINC000067754637 373998863 /nfs/dbraw/zinc/99/88/63/373998863.db2.gz GZPLUOMTGHNIJB-ZDUSSCGKSA-N 2 2 262.401 2.805 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1CNc1cc(C(C)C)[nH+]c(C)n1 ZINC000067754635 373999265 /nfs/dbraw/zinc/99/92/65/373999265.db2.gz GZPLUOMTGHNIJB-CYBMUJFWSA-N 2 2 262.401 2.805 50 0 CFAALP CC[N@H+]1CCC[C@@H]1CNc1cc(C(C)C)[nH+]c(C)n1 ZINC000067754635 373999269 /nfs/dbraw/zinc/99/92/69/373999269.db2.gz GZPLUOMTGHNIJB-CYBMUJFWSA-N 2 2 262.401 2.805 50 0 CFAALP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000067818179 374006463 /nfs/dbraw/zinc/00/64/63/374006463.db2.gz XQMUFOFGYVYXLH-KGLIPLIRSA-N 2 2 287.382 2.942 50 0 CFAALP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000067818179 374006468 /nfs/dbraw/zinc/00/64/68/374006468.db2.gz XQMUFOFGYVYXLH-KGLIPLIRSA-N 2 2 287.382 2.942 50 0 CFAALP CSC[C@H](C)[NH2+]CCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000067909046 374014993 /nfs/dbraw/zinc/01/49/93/374014993.db2.gz DIXQPSYLPCASQT-JTQLQIEISA-N 2 2 281.400 2.976 50 0 CFAALP C[C@H](c1[nH+]ccn1CCC[NH+]1CCOCC1)c1ccccc1 ZINC000067675770 373991739 /nfs/dbraw/zinc/99/17/39/373991739.db2.gz COQUHJNKCXDLGY-INIZCTEOSA-N 2 2 299.418 2.757 50 0 CFAALP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)cc2)c[nH+]1 ZINC000079354374 374606235 /nfs/dbraw/zinc/60/62/35/374606235.db2.gz NZJMBOSCGSHZHF-DLBZAZTESA-N 2 2 283.375 2.626 50 0 CFAALP c1cn(-c2ccc(C[N@H+]3CCO[C@@H]4CCC[C@@H]43)cc2)c[nH+]1 ZINC000079354374 374606237 /nfs/dbraw/zinc/60/62/37/374606237.db2.gz NZJMBOSCGSHZHF-DLBZAZTESA-N 2 2 283.375 2.626 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095988148 375464307 /nfs/dbraw/zinc/46/43/07/375464307.db2.gz IWCLPZAQHOGIPC-BBWFWOEESA-N 2 2 286.419 2.870 50 0 CFAALP Cc1ccsc1C[N@@H+]1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000097088338 375513857 /nfs/dbraw/zinc/51/38/57/375513857.db2.gz FKPWRBDKLQMGEG-HNNXBMFYSA-N 2 2 294.464 2.743 50 0 CFAALP Cc1ccsc1C[N@H+]1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000097088338 375513861 /nfs/dbraw/zinc/51/38/61/375513861.db2.gz FKPWRBDKLQMGEG-HNNXBMFYSA-N 2 2 294.464 2.743 50 0 CFAALP Cc1ccc(OC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000131368674 377702537 /nfs/dbraw/zinc/70/25/37/377702537.db2.gz XYMCTZRNQXIMBE-UHFFFAOYSA-N 2 2 285.391 2.735 50 0 CFAALP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000335849710 379990636 /nfs/dbraw/zinc/99/06/36/379990636.db2.gz OUZCXDXBGQQGQH-ZBFHGGJFSA-N 2 2 270.380 2.670 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCOC1(C)C ZINC000293609471 382195126 /nfs/dbraw/zinc/19/51/26/382195126.db2.gz GNUVAPOEVFHUIL-OAHLLOKOSA-N 2 2 273.380 2.502 50 0 CFAALP C[N@H+](CCn1cc[nH+]c1)Cc1ccc([C@H]2CCCO2)s1 ZINC000215456122 382779183 /nfs/dbraw/zinc/77/91/83/382779183.db2.gz ZABCCFDRORCGFE-CQSZACIVSA-N 2 2 291.420 2.928 50 0 CFAALP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc([C@H]2CCCO2)s1 ZINC000215456122 382779185 /nfs/dbraw/zinc/77/91/85/382779185.db2.gz ZABCCFDRORCGFE-CQSZACIVSA-N 2 2 291.420 2.928 50 0 CFAALP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000225434815 382815777 /nfs/dbraw/zinc/81/57/77/382815777.db2.gz DJCQRLXAVOCXRG-KRWDZBQOSA-N 2 2 282.387 2.895 50 0 CFAALP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000225434815 382815779 /nfs/dbraw/zinc/81/57/79/382815779.db2.gz DJCQRLXAVOCXRG-KRWDZBQOSA-N 2 2 282.387 2.895 50 0 CFAALP COc1ccc(C[C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000225530238 382817855 /nfs/dbraw/zinc/81/78/55/382817855.db2.gz NNCBVKZLMGAEES-KRWDZBQOSA-N 2 2 299.418 2.846 50 0 CFAALP COc1ccc(C[C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000225530238 382817857 /nfs/dbraw/zinc/81/78/57/382817857.db2.gz NNCBVKZLMGAEES-KRWDZBQOSA-N 2 2 299.418 2.846 50 0 CFAALP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249284440 383337193 /nfs/dbraw/zinc/33/71/93/383337193.db2.gz OTLSLQGKRZCMHJ-GRYCIOLGSA-N 2 2 264.335 2.791 50 0 CFAALP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249284440 383337196 /nfs/dbraw/zinc/33/71/96/383337196.db2.gz OTLSLQGKRZCMHJ-GRYCIOLGSA-N 2 2 264.335 2.791 50 0 CFAALP Cc1ccc(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)c[nH+]1 ZINC000289239000 197271549 /nfs/dbraw/zinc/27/15/49/197271549.db2.gz ZDHQIQVPLMBKCP-UHFFFAOYSA-N 2 2 298.390 2.706 50 0 CFAALP C[C@@H]1C[NH+](C2CC[NH+](C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000002734586 393453465 /nfs/dbraw/zinc/45/34/65/393453465.db2.gz LGZGLORGIAFKQY-HUUCEWRRSA-N 2 2 280.456 2.893 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000352698316 163225662 /nfs/dbraw/zinc/22/56/62/163225662.db2.gz QTLNIBUAPMMQCF-AWEZNQCLSA-N 2 2 270.376 2.859 50 0 CFAALP Cc1sc2[nH]c(C[NH+]3CCCCC3)nc(=[NH2+])c2c1C ZINC000008037164 170315479 /nfs/dbraw/zinc/31/54/79/170315479.db2.gz QQDNEYKUNIECEO-UHFFFAOYSA-N 2 2 276.409 2.707 50 0 CFAALP C[C@H](Cc1ccccc1F)[NH2+]CC[NH+]1CCCCC1 ZINC000022455422 171388050 /nfs/dbraw/zinc/38/80/50/171388050.db2.gz OASVWNOZXMIQOY-CQSZACIVSA-N 2 2 264.388 2.832 50 0 CFAALP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084241058 275539692 /nfs/dbraw/zinc/53/96/92/275539692.db2.gz VMICHKFPRGJVKJ-GFCCVEGCSA-N 2 2 287.411 2.571 50 0 CFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCCOC1CCCCC1 ZINC000534649281 328343974 /nfs/dbraw/zinc/34/39/74/328343974.db2.gz DJMRKSHZBDLVKX-AWEZNQCLSA-N 2 2 265.401 2.601 50 0 CFAALP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCCSC3)[nH]c2c1 ZINC000131267278 328448925 /nfs/dbraw/zinc/44/89/25/328448925.db2.gz DYVSCZARASJHCH-GFCCVEGCSA-N 2 2 275.421 2.981 50 0 CFAALP Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000096407641 534002164 /nfs/dbraw/zinc/00/21/64/534002164.db2.gz UUDYFMYWVPSFCC-ZIAGYGMSSA-N 2 2 272.396 2.701 50 0 CFAALP Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000096407641 534002174 /nfs/dbraw/zinc/00/21/74/534002174.db2.gz UUDYFMYWVPSFCC-ZIAGYGMSSA-N 2 2 272.396 2.701 50 0 CFAALP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000096876700 185119447 /nfs/dbraw/zinc/11/94/47/185119447.db2.gz GAAJICBIRXYVSG-HNNXBMFYSA-N 2 2 276.424 2.702 50 0 CFAALP CCn1cc[nH+]c1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000220650815 529567762 /nfs/dbraw/zinc/56/77/62/529567762.db2.gz NIBZRMCLIYJGHU-QGZVFWFLSA-N 2 2 298.434 2.609 50 0 CFAALP CCn1cc[nH+]c1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000220650815 529567764 /nfs/dbraw/zinc/56/77/64/529567764.db2.gz NIBZRMCLIYJGHU-QGZVFWFLSA-N 2 2 298.434 2.609 50 0 CFAALP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000097103381 347707164 /nfs/dbraw/zinc/70/71/64/347707164.db2.gz FIMLOHILGPWRMB-GFCCVEGCSA-N 2 2 265.401 2.818 50 0 CFAALP Cn1c2ccc(F)cc2[nH+]c1NCc1c[nH+]c2ccccn12 ZINC000170081708 348053432 /nfs/dbraw/zinc/05/34/32/348053432.db2.gz PSUPQEUIMZXRFT-UHFFFAOYSA-N 2 2 295.321 2.972 50 0 CFAALP Cc1ccc2[nH+]cc(CNc3cc(C[NH+](C)C)ccn3)n2c1 ZINC000170592326 348055123 /nfs/dbraw/zinc/05/51/23/348055123.db2.gz RBOFTYOWZODHMD-UHFFFAOYSA-N 2 2 295.390 2.711 50 0 CFAALP C[NH+]1CCC([NH2+][C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000584890071 348728387 /nfs/dbraw/zinc/72/83/87/348728387.db2.gz VNEFGHJJTOVWOO-GOSISDBHSA-N 2 2 299.393 2.994 50 0 CFAALP c1ccc([C@@H](C[NH2+]C2CCOCC2)[NH+]2CCCCC2)cc1 ZINC000584891586 348729050 /nfs/dbraw/zinc/72/90/50/348729050.db2.gz PVQSNACZAKJETN-GOSISDBHSA-N 2 2 288.435 2.982 50 0 CFAALP COc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000585140355 348736353 /nfs/dbraw/zinc/73/63/53/348736353.db2.gz CPKLXLUPVDUKCP-ZIAGYGMSSA-N 2 2 262.397 2.576 50 0 CFAALP COc1cccc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000585140355 348736355 /nfs/dbraw/zinc/73/63/55/348736355.db2.gz CPKLXLUPVDUKCP-ZIAGYGMSSA-N 2 2 262.397 2.576 50 0 CFAALP CCCCc1[nH]c(C[N@@H+]2C[C@@H](C)[C@](O)(C3CCC3)C2)c[nH+]1 ZINC000091952184 180291848 /nfs/dbraw/zinc/29/18/48/180291848.db2.gz SPZGHOGMUCCGOB-DYVFJYSZSA-N 2 2 291.439 2.735 50 0 CFAALP CCCCc1[nH]c(C[N@H+]2C[C@@H](C)[C@](O)(C3CCC3)C2)c[nH+]1 ZINC000091952184 180291850 /nfs/dbraw/zinc/29/18/50/180291850.db2.gz SPZGHOGMUCCGOB-DYVFJYSZSA-N 2 2 291.439 2.735 50 0 CFAALP CCCn1cc[nH+]c1CNc1nc(C)[nH+]c(C)c1C ZINC000092081226 180319379 /nfs/dbraw/zinc/31/93/79/180319379.db2.gz BSOBBROKZMSRCM-UHFFFAOYSA-N 2 2 259.357 2.620 50 0 CFAALP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163759987 188615560 /nfs/dbraw/zinc/61/55/60/188615560.db2.gz VNTDDUAWWPKJRW-NSHDSACASA-N 2 2 290.304 2.886 50 0 CFAALP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163759987 188615561 /nfs/dbraw/zinc/61/55/61/188615561.db2.gz VNTDDUAWWPKJRW-NSHDSACASA-N 2 2 290.304 2.886 50 0 CFAALP CC[C@H](C)Cc1nc(C[NH+]2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000670465098 541005814 /nfs/dbraw/zinc/00/58/14/541005814.db2.gz JMSSKMDTFRYAAY-AWEZNQCLSA-N 2 2 299.422 2.847 50 0 CFAALP CCc1nc(C)c(C[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC000019147704 372149769 /nfs/dbraw/zinc/14/97/69/372149769.db2.gz MARJGASPGMJULV-UHFFFAOYSA-N 2 2 277.412 2.606 50 0 CFAALP Brc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000019823600 372192509 /nfs/dbraw/zinc/19/25/09/372192509.db2.gz WAAMOLDHPXBZBY-UHFFFAOYSA-N 2 2 283.213 2.635 50 0 CFAALP CCOc1cccc(C[NH2+]C2CC[NH+](CC)CC2)c1OC ZINC000037976770 372743029 /nfs/dbraw/zinc/74/30/29/372743029.db2.gz KZQANIFDZCTMKD-UHFFFAOYSA-N 2 2 292.423 2.668 50 0 CFAALP CC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC)CC1 ZINC000037979035 372745436 /nfs/dbraw/zinc/74/54/36/372745436.db2.gz QBANELYCOQLTCB-UHFFFAOYSA-N 2 2 282.815 2.923 50 0 CFAALP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000061626465 373723958 /nfs/dbraw/zinc/72/39/58/373723958.db2.gz YYQQTHOOFPNXES-GFCCVEGCSA-N 2 2 258.287 2.547 50 0 CFAALP Cc1[nH+]c2ccccc2n1C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063883109 373817565 /nfs/dbraw/zinc/81/75/65/373817565.db2.gz VFAXYMRWSAAODX-QZTJIDSGSA-N 2 2 299.418 2.724 50 0 CFAALP Cc1[nH+]c2ccccc2n1C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063883109 373817569 /nfs/dbraw/zinc/81/75/69/373817569.db2.gz VFAXYMRWSAAODX-QZTJIDSGSA-N 2 2 299.418 2.724 50 0 CFAALP CC[N@@H+](Cc1ccc(C(C)=O)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000065375407 373861999 /nfs/dbraw/zinc/86/19/99/373861999.db2.gz QTEHUXFSJCASEI-MRXNPFEDSA-N 2 2 274.408 2.663 50 0 CFAALP CC[N@H+](Cc1ccc(C(C)=O)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000065375407 373862005 /nfs/dbraw/zinc/86/20/05/373862005.db2.gz QTEHUXFSJCASEI-MRXNPFEDSA-N 2 2 274.408 2.663 50 0 CFAALP CC[NH+](Cc1ccc(C(C)=O)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000065375407 373862009 /nfs/dbraw/zinc/86/20/09/373862009.db2.gz QTEHUXFSJCASEI-MRXNPFEDSA-N 2 2 274.408 2.663 50 0 CFAALP CC[NH+](Cc1ccc(C(C)=O)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000065375407 373862015 /nfs/dbraw/zinc/86/20/15/373862015.db2.gz QTEHUXFSJCASEI-MRXNPFEDSA-N 2 2 274.408 2.663 50 0 CFAALP Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2c[nH+]c3c(C)cccn23)n1 ZINC000067804946 374003653 /nfs/dbraw/zinc/00/36/53/374003653.db2.gz ZAHXBEHOGKUJKR-CQSZACIVSA-N 2 2 297.406 2.634 50 0 CFAALP Cc1cc2nc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)[nH]c2cc1C ZINC000067642511 373987827 /nfs/dbraw/zinc/98/78/27/373987827.db2.gz UAXNOCXFXUMFBP-ZDUSSCGKSA-N 2 2 283.379 2.555 50 0 CFAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc[nH]n2)cc1 ZINC000084290993 374774831 /nfs/dbraw/zinc/77/48/31/374774831.db2.gz JRRREOAIFDLXTR-LBPRGKRZSA-N 2 2 281.363 2.755 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnn3ccccc13)CCC2 ZINC000089702148 374939450 /nfs/dbraw/zinc/93/94/50/374939450.db2.gz NBTCSIQYMWUUET-AWEZNQCLSA-N 2 2 295.390 2.506 50 0 CFAALP COc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866168 375322820 /nfs/dbraw/zinc/32/28/20/375322820.db2.gz CEOLONMVQCHNFA-MRXNPFEDSA-N 2 2 284.359 2.744 50 0 CFAALP COc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866168 375322822 /nfs/dbraw/zinc/32/28/22/375322822.db2.gz CEOLONMVQCHNFA-MRXNPFEDSA-N 2 2 284.359 2.744 50 0 CFAALP C[C@H](CC[NH+](C)C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000094965721 375400626 /nfs/dbraw/zinc/40/06/26/375400626.db2.gz YFJMKQLXALXAAJ-LLVKDONJSA-N 2 2 269.458 2.870 50 0 CFAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCOC)C1 ZINC000095384971 375427012 /nfs/dbraw/zinc/42/70/12/375427012.db2.gz NMEIPKZVWCUFHN-CQSZACIVSA-N 2 2 265.401 2.509 50 0 CFAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000095384971 375427019 /nfs/dbraw/zinc/42/70/19/375427019.db2.gz NMEIPKZVWCUFHN-CQSZACIVSA-N 2 2 265.401 2.509 50 0 CFAALP Fc1cccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000097436871 375559821 /nfs/dbraw/zinc/55/98/21/375559821.db2.gz ZPKOECRBEPFZMY-QGZVFWFLSA-N 2 2 292.398 2.512 50 0 CFAALP Fc1cccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000097436871 375559825 /nfs/dbraw/zinc/55/98/25/375559825.db2.gz ZPKOECRBEPFZMY-QGZVFWFLSA-N 2 2 292.398 2.512 50 0 CFAALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000182404994 381083845 /nfs/dbraw/zinc/08/38/45/381083845.db2.gz VRIKBHQGLZJQFN-QGZVFWFLSA-N 2 2 297.402 2.929 50 0 CFAALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)c1ccccc1 ZINC000182404994 381083853 /nfs/dbraw/zinc/08/38/53/381083853.db2.gz VRIKBHQGLZJQFN-QGZVFWFLSA-N 2 2 297.402 2.929 50 0 CFAALP CC(C)[NH2+]CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000193441764 382719796 /nfs/dbraw/zinc/71/97/96/382719796.db2.gz VFYBPYWPTSHAFI-QGZVFWFLSA-N 2 2 294.414 2.569 50 0 CFAALP COc1c(F)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000216145618 382781954 /nfs/dbraw/zinc/78/19/54/382781954.db2.gz ZQYSSZHTGYUETI-CYBMUJFWSA-N 2 2 298.377 2.890 50 0 CFAALP COc1c(F)cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000216145618 382781956 /nfs/dbraw/zinc/78/19/56/382781956.db2.gz ZQYSSZHTGYUETI-CYBMUJFWSA-N 2 2 298.377 2.890 50 0 CFAALP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000426661271 383408853 /nfs/dbraw/zinc/40/88/53/383408853.db2.gz OBNHXYYQPVNWRZ-YABSGUDNSA-N 2 2 268.763 2.648 50 0 CFAALP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000426661271 383408857 /nfs/dbraw/zinc/40/88/57/383408857.db2.gz OBNHXYYQPVNWRZ-YABSGUDNSA-N 2 2 268.763 2.648 50 0 CFAALP Cc1ncsc1C[NH+]1CCC(Cn2cc[nH+]c2)CC1 ZINC000825284812 782007660 /nfs/dbraw/zinc/00/76/60/782007660.db2.gz SKDGOOPUEOQVMH-UHFFFAOYSA-N 2 2 276.409 2.560 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccco1 ZINC000020186635 171050585 /nfs/dbraw/zinc/05/05/85/171050585.db2.gz STELVBRWIIDUSB-UHFFFAOYSA-N 2 2 255.321 2.728 50 0 CFAALP CC(C)Oc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000040640202 174363540 /nfs/dbraw/zinc/36/35/40/174363540.db2.gz HHQIZNNUPBODAW-UHFFFAOYSA-N 2 2 273.380 2.850 50 0 CFAALP C[N@@H+](Cc1csc(-c2cccs2)n1)C[C@H]1CC[NH2+]C1 ZINC000072128197 176321141 /nfs/dbraw/zinc/32/11/41/176321141.db2.gz BQHBWRVHWFQNBN-NSHDSACASA-N 2 2 293.461 2.913 50 0 CFAALP C[N@H+](Cc1csc(-c2cccs2)n1)C[C@H]1CC[NH2+]C1 ZINC000072128197 176321142 /nfs/dbraw/zinc/32/11/42/176321142.db2.gz BQHBWRVHWFQNBN-NSHDSACASA-N 2 2 293.461 2.913 50 0 CFAALP Cc1cccc(Nc2ccc(C3CC[NH2+]CC3)nc2)[nH+]1 ZINC000072343470 176372129 /nfs/dbraw/zinc/37/21/29/176372129.db2.gz BSYBUQXELGNHJT-UHFFFAOYSA-N 2 2 268.364 2.996 50 0 CFAALP CCCc1c[nH+]c(C)nc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077380315 177260757 /nfs/dbraw/zinc/26/07/57/177260757.db2.gz RLOQTAMULTVVMJ-CQSZACIVSA-N 2 2 285.395 2.845 50 0 CFAALP C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000020031309 273900360 /nfs/dbraw/zinc/90/03/60/273900360.db2.gz DYRPMOPVNODEGE-UHFFFAOYSA-N 2 2 261.756 2.640 50 0 CFAALP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccncc1 ZINC000095402199 278354728 /nfs/dbraw/zinc/35/47/28/278354728.db2.gz QYZKOFZIFYOHEM-TZMCWYRMSA-N 2 2 256.353 2.506 50 0 CFAALP Cc1c[nH+]c(N[C@@H](C[NH+](C)C)c2ccccc2)nc1N(C)C ZINC000065504116 302364006 /nfs/dbraw/zinc/36/40/06/302364006.db2.gz IYTHGAABZJPDCD-HNNXBMFYSA-N 2 2 299.422 2.566 50 0 CFAALP c1cn(CC[NH2+]C2(c3ccccc3)CCCC2)c[nH+]1 ZINC000183538938 323920937 /nfs/dbraw/zinc/92/09/37/323920937.db2.gz NINJGQXCTUFVKT-UHFFFAOYSA-N 2 2 255.365 2.942 50 0 CFAALP C[C@@H](CC[C@H]1CC1(Cl)Cl)[NH2+]CCn1cc[nH+]c1 ZINC000888098222 619132212 /nfs/dbraw/zinc/13/22/12/619132212.db2.gz DIQDWIMYXSMTPD-QWRGUYRKSA-N 2 2 276.211 2.835 50 0 CFAALP c1csc(C[NH+]2CCC([NH2+][C@H]3CCSC3)CC2)c1 ZINC000820430498 781867977 /nfs/dbraw/zinc/86/79/77/781867977.db2.gz SFBKWDDTILCLDK-ZDUSSCGKSA-N 2 2 282.478 2.808 50 0 CFAALP Cc1[nH+]ccn1C[C@@H](C)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000821751148 781885529 /nfs/dbraw/zinc/88/55/29/781885529.db2.gz JZMHBJPAAZHVBS-MRXNPFEDSA-N 2 2 298.434 2.792 50 0 CFAALP Cc1[nH+]ccn1C[C@@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000821751148 781885533 /nfs/dbraw/zinc/88/55/33/781885533.db2.gz JZMHBJPAAZHVBS-MRXNPFEDSA-N 2 2 298.434 2.792 50 0 CFAALP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000097831171 230387620 /nfs/dbraw/zinc/38/76/20/230387620.db2.gz WAEKZAIDHILBQU-HNNXBMFYSA-N 3 2 295.496 2.726 50 0 CFAALP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000097831171 230387621 /nfs/dbraw/zinc/38/76/21/230387621.db2.gz WAEKZAIDHILBQU-HNNXBMFYSA-N 3 2 295.496 2.726 50 0 CFAALP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000097831094 230387707 /nfs/dbraw/zinc/38/77/07/230387707.db2.gz HGKKLKALTUHFHG-AWEZNQCLSA-N 2 2 278.444 2.623 50 0 CFAALP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000097831094 230387708 /nfs/dbraw/zinc/38/77/08/230387708.db2.gz HGKKLKALTUHFHG-AWEZNQCLSA-N 2 2 278.444 2.623 50 0 CFAALP Nc1ccc(-c2ccc(OCCn3cc[nH+]c3)cc2)c[nH+]1 ZINC000096149607 185107593 /nfs/dbraw/zinc/10/75/93/185107593.db2.gz JKPBBVDPWWESBX-UHFFFAOYSA-N 2 2 280.331 2.606 50 0 CFAALP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000097238033 347708406 /nfs/dbraw/zinc/70/84/06/347708406.db2.gz MLLKSAZOUKZJEZ-CQSZACIVSA-N 2 2 289.354 2.605 50 0 CFAALP Cc1[nH]c2c([nH+]1)CC[N@@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000584884929 348726455 /nfs/dbraw/zinc/72/64/55/348726455.db2.gz MVKBIISKVGVRAT-NSCUHMNNSA-N 2 2 271.339 2.929 50 0 CFAALP Cc1[nH]c2c([nH+]1)CC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000584884929 348726459 /nfs/dbraw/zinc/72/64/59/348726459.db2.gz MVKBIISKVGVRAT-NSCUHMNNSA-N 2 2 271.339 2.929 50 0 CFAALP C[NH+]1CCC([NH2+][C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000584890072 348728201 /nfs/dbraw/zinc/72/82/01/348728201.db2.gz VNEFGHJJTOVWOO-SFHVURJKSA-N 2 2 299.393 2.994 50 0 CFAALP CCc1[nH+]ccn1C[C@H](C)[NH+]1CC(Oc2ccccc2)C1 ZINC000584901286 348733129 /nfs/dbraw/zinc/73/31/29/348733129.db2.gz MJNWGVWGELQMFD-AWEZNQCLSA-N 2 2 285.391 2.597 50 0 CFAALP C[C@@H](Cc1ccco1)[NH2+]CC[NH2+][C@@H](C)Cc1ccco1 ZINC000670419697 540986153 /nfs/dbraw/zinc/98/61/53/540986153.db2.gz SPMDNYXDURKJLL-KBPBESRZSA-N 2 2 276.380 2.614 50 0 CFAALP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)[nH]n1 ZINC000670465617 541006350 /nfs/dbraw/zinc/00/63/50/541006350.db2.gz BGWQSJBQQQSXHU-QGZVFWFLSA-N 2 2 298.434 2.672 50 0 CFAALP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)[nH]n1 ZINC000670465617 541006352 /nfs/dbraw/zinc/00/63/52/541006352.db2.gz BGWQSJBQQQSXHU-QGZVFWFLSA-N 2 2 298.434 2.672 50 0 CFAALP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000670465617 541006354 /nfs/dbraw/zinc/00/63/54/541006354.db2.gz BGWQSJBQQQSXHU-QGZVFWFLSA-N 2 2 298.434 2.672 50 0 CFAALP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000670465617 541006355 /nfs/dbraw/zinc/00/63/55/541006355.db2.gz BGWQSJBQQQSXHU-QGZVFWFLSA-N 2 2 298.434 2.672 50 0 CFAALP CC[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000000758078 371649358 /nfs/dbraw/zinc/64/93/58/371649358.db2.gz DSKMCJDMLRRYLF-UHFFFAOYSA-N 2 2 252.789 2.914 50 0 CFAALP Fc1ccccc1OC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000020109875 372232086 /nfs/dbraw/zinc/23/20/86/372232086.db2.gz ADJDQAPXSINKNJ-UHFFFAOYSA-N 2 2 289.354 2.566 50 0 CFAALP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037089739 372648118 /nfs/dbraw/zinc/64/81/18/372648118.db2.gz PLEAWPZYQXMBFZ-LLVKDONJSA-N 2 2 266.360 2.579 50 0 CFAALP CCc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000064166440 373819414 /nfs/dbraw/zinc/81/94/14/373819414.db2.gz CBFUAHFCJHNODN-UHFFFAOYSA-N 2 2 282.347 2.713 50 0 CFAALP Cc1[nH]c(C[N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)c[nH+]1 ZINC000065398706 373866145 /nfs/dbraw/zinc/86/61/45/373866145.db2.gz AMTWMAAKGKAGMN-HNNXBMFYSA-N 2 2 284.407 2.676 50 0 CFAALP Cc1[nH]c(C[N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)c[nH+]1 ZINC000065398706 373866149 /nfs/dbraw/zinc/86/61/49/373866149.db2.gz AMTWMAAKGKAGMN-HNNXBMFYSA-N 2 2 284.407 2.676 50 0 CFAALP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)n1cccn1 ZINC000069349724 374055876 /nfs/dbraw/zinc/05/58/76/374055876.db2.gz BGSKIYDTVOUFFD-CABCVRRESA-N 2 2 295.390 2.808 50 0 CFAALP Cc1nc(N(C)C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000077439853 374561983 /nfs/dbraw/zinc/56/19/83/374561983.db2.gz WMVWHXLZLOBPKI-MRXNPFEDSA-N 2 2 290.455 2.958 50 0 CFAALP Cc1nc(N(C)C[C@H]2CCC[N@H+](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000077439853 374561991 /nfs/dbraw/zinc/56/19/91/374561991.db2.gz WMVWHXLZLOBPKI-MRXNPFEDSA-N 2 2 290.455 2.958 50 0 CFAALP COCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082108839 374725630 /nfs/dbraw/zinc/72/56/30/374725630.db2.gz QRXLQZWQGOFOMY-HNNXBMFYSA-N 2 2 277.412 2.509 50 0 CFAALP COCCC[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082108839 374725640 /nfs/dbraw/zinc/72/56/40/374725640.db2.gz QRXLQZWQGOFOMY-HNNXBMFYSA-N 2 2 277.412 2.509 50 0 CFAALP c1cn([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000089807037 374956472 /nfs/dbraw/zinc/95/64/72/374956472.db2.gz QNIUSDPZSBCFIH-LSDHHAIUSA-N 2 2 299.374 2.538 50 0 CFAALP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000093643708 375281502 /nfs/dbraw/zinc/28/15/02/375281502.db2.gz KCCCPYRKBYLFBM-NHYWBVRUSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000093643708 375281508 /nfs/dbraw/zinc/28/15/08/375281508.db2.gz KCCCPYRKBYLFBM-NHYWBVRUSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1C ZINC000093643708 375281510 /nfs/dbraw/zinc/28/15/10/375281510.db2.gz KCCCPYRKBYLFBM-NHYWBVRUSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1C ZINC000093643708 375281515 /nfs/dbraw/zinc/28/15/15/375281515.db2.gz KCCCPYRKBYLFBM-NHYWBVRUSA-N 2 2 268.351 2.879 50 0 CFAALP Cc1n[nH]cc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000097159608 375533999 /nfs/dbraw/zinc/53/39/99/375533999.db2.gz NWZCQYGLXDJIRG-UHFFFAOYSA-N 2 2 298.434 2.781 50 0 CFAALP C[NH+](C)C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000169725714 379109107 /nfs/dbraw/zinc/10/91/07/379109107.db2.gz WEIDFQRNLPRCND-UHFFFAOYSA-N 2 2 273.302 2.631 50 0 CFAALP C[C@H](C[NH3+])Oc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000299769181 382043255 /nfs/dbraw/zinc/04/32/55/382043255.db2.gz LCCLKUFUTSUYCB-GFCCVEGCSA-N 2 2 291.420 2.501 50 0 CFAALP C[C@H](C[NH3+])Oc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000299769181 382043264 /nfs/dbraw/zinc/04/32/64/382043264.db2.gz LCCLKUFUTSUYCB-GFCCVEGCSA-N 2 2 291.420 2.501 50 0 CFAALP Cc1[nH+]c[nH]c1C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000215411333 382778558 /nfs/dbraw/zinc/77/85/58/382778558.db2.gz NIIYEISGRIAUML-HNNXBMFYSA-N 2 2 256.353 2.840 50 0 CFAALP Cc1[nH+]c[nH]c1C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000215411333 382778560 /nfs/dbraw/zinc/77/85/60/382778560.db2.gz NIIYEISGRIAUML-HNNXBMFYSA-N 2 2 256.353 2.840 50 0 CFAALP Cc1c[nH]c(C[N@@H+](C)Cc2cccc([C@H](C)[NH+](C)C)c2)n1 ZINC000216098372 382782133 /nfs/dbraw/zinc/78/21/33/382782133.db2.gz JJRIYHIXUVTQDE-AWEZNQCLSA-N 2 2 286.423 2.973 50 0 CFAALP Cc1c[nH]c(C[N@H+](C)Cc2cccc([C@H](C)[NH+](C)C)c2)n1 ZINC000216098372 382782135 /nfs/dbraw/zinc/78/21/35/382782135.db2.gz JJRIYHIXUVTQDE-AWEZNQCLSA-N 2 2 286.423 2.973 50 0 CFAALP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249284443 383337078 /nfs/dbraw/zinc/33/70/78/383337078.db2.gz OTLSLQGKRZCMHJ-SDDRHHMPSA-N 2 2 264.335 2.791 50 0 CFAALP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249284443 383337083 /nfs/dbraw/zinc/33/70/83/383337083.db2.gz OTLSLQGKRZCMHJ-SDDRHHMPSA-N 2 2 264.335 2.791 50 0 CFAALP Cc1cc(CNC(=O)CC[C@H](C)[NH+]2CCCC2)c[nH+]c1C ZINC000426661386 383409160 /nfs/dbraw/zinc/40/91/60/383409160.db2.gz USJPXKTWOKRQRN-AWEZNQCLSA-N 2 2 289.423 2.579 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000250220483 383373703 /nfs/dbraw/zinc/37/37/03/383373703.db2.gz DRVBCMIKNHMZNH-GDBMZVCRSA-N 2 2 276.424 2.787 50 0 CFAALP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000250220483 383373709 /nfs/dbraw/zinc/37/37/09/383373709.db2.gz DRVBCMIKNHMZNH-GDBMZVCRSA-N 2 2 276.424 2.787 50 0 CFAALP CC[C@H](c1cccc(OC)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000289357429 197309976 /nfs/dbraw/zinc/30/99/76/197309976.db2.gz GVKWFWSACJUPDB-MRXNPFEDSA-N 2 2 273.380 2.975 50 0 CFAALP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000289357429 197309977 /nfs/dbraw/zinc/30/99/77/197309977.db2.gz GVKWFWSACJUPDB-MRXNPFEDSA-N 2 2 273.380 2.975 50 0 CFAALP Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000639970104 385799025 /nfs/dbraw/zinc/79/90/25/385799025.db2.gz JFMYMEUIHADXOX-UHFFFAOYSA-N 2 2 281.363 2.536 50 0 CFAALP Cc1n[nH]cc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000639970104 385799029 /nfs/dbraw/zinc/79/90/29/385799029.db2.gz JFMYMEUIHADXOX-UHFFFAOYSA-N 2 2 281.363 2.536 50 0 CFAALP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000037246951 173060203 /nfs/dbraw/zinc/06/02/03/173060203.db2.gz WXBOUFZFJFRVCW-DLBZAZTESA-N 2 2 252.361 2.613 50 0 CFAALP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000037246951 173060206 /nfs/dbraw/zinc/06/02/06/173060206.db2.gz WXBOUFZFJFRVCW-DLBZAZTESA-N 2 2 252.361 2.613 50 0 CFAALP CC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2(O)CCCCC2)C1 ZINC000071721499 176252982 /nfs/dbraw/zinc/25/29/82/176252982.db2.gz DNUVCUFDDFITBF-HNNXBMFYSA-N 2 2 291.439 2.778 50 0 CFAALP CC[N@H+]1CCC[C@H](c2[nH+]ccn2CC2(O)CCCCC2)C1 ZINC000071721499 176252983 /nfs/dbraw/zinc/25/29/83/176252983.db2.gz DNUVCUFDDFITBF-HNNXBMFYSA-N 2 2 291.439 2.778 50 0 CFAALP CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000072312054 176367299 /nfs/dbraw/zinc/36/72/99/176367299.db2.gz BTTIJSGYPDLENX-CQSZACIVSA-N 2 2 270.380 2.889 50 0 CFAALP CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000072312054 176367300 /nfs/dbraw/zinc/36/73/00/176367300.db2.gz BTTIJSGYPDLENX-CQSZACIVSA-N 2 2 270.380 2.889 50 0 CFAALP C[C@H](C[NH+](C)C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534650033 328336521 /nfs/dbraw/zinc/33/65/21/328336521.db2.gz UDAMGUPVRQSMFI-GFCCVEGCSA-N 2 2 266.816 2.911 50 0 CFAALP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000097095610 282244309 /nfs/dbraw/zinc/24/43/09/282244309.db2.gz QWODRMFPDPNWKV-KDOFPFPSSA-N 2 2 298.434 2.882 50 0 CFAALP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000097095610 282244310 /nfs/dbraw/zinc/24/43/10/282244310.db2.gz QWODRMFPDPNWKV-KDOFPFPSSA-N 2 2 298.434 2.882 50 0 CFAALP Cc1[nH]c2cc(C[NH2+]C3CSCCSC3)ccc2[nH+]1 ZINC000584902624 348733182 /nfs/dbraw/zinc/73/31/82/348733182.db2.gz QSJWDVXRTZDGRP-UHFFFAOYSA-N 2 2 293.461 2.810 50 0 CFAALP Cc1[nH]c2ccc(C[NH2+]C3CSCCSC3)cc2[nH+]1 ZINC000584902624 348733184 /nfs/dbraw/zinc/73/31/84/348733184.db2.gz QSJWDVXRTZDGRP-UHFFFAOYSA-N 2 2 293.461 2.810 50 0 CFAALP Cc1cc(C)c2[nH]c(C[NH2+]CCc3c[nH]c[nH+]3)cc(=O)c2c1 ZINC000092077299 180317372 /nfs/dbraw/zinc/31/73/72/180317372.db2.gz FPYDEUNSVUEKIF-UHFFFAOYSA-N 2 2 296.374 2.613 50 0 CFAALP Cc1cc(C)c2[nH]c(C[NH2+]CCc3c[nH+]c[nH]3)cc(=O)c2c1 ZINC000092077299 180317374 /nfs/dbraw/zinc/31/73/74/180317374.db2.gz FPYDEUNSVUEKIF-UHFFFAOYSA-N 2 2 296.374 2.613 50 0 CFAALP Cc1cc(N(C)CCc2[nH]c3ccccc3[nH+]2)nc(C)[nH+]1 ZINC000585092463 540461780 /nfs/dbraw/zinc/46/17/80/540461780.db2.gz YEZNNBYPBJVDLH-UHFFFAOYSA-N 2 2 281.363 2.649 50 0 CFAALP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095420739 540724211 /nfs/dbraw/zinc/72/42/11/540724211.db2.gz ZTAQURGHGIAELD-UKRRQHHQSA-N 2 2 260.381 2.584 50 0 CFAALP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095420739 540724213 /nfs/dbraw/zinc/72/42/13/540724213.db2.gz ZTAQURGHGIAELD-UKRRQHHQSA-N 2 2 260.381 2.584 50 0 CFAALP CC[NH+]1CCC([NH2+][C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000670454881 541000780 /nfs/dbraw/zinc/00/07/80/541000780.db2.gz RYTOABJOVNZBKS-GOSISDBHSA-N 2 2 298.434 2.698 50 0 CFAALP Cc1nc(N2CCC[N@@H+](C3CCCCC3)CC2)cc[nH+]1 ZINC000670460985 541003042 /nfs/dbraw/zinc/00/30/42/541003042.db2.gz WNLVXSODAPGWCI-UHFFFAOYSA-N 2 2 274.412 2.630 50 0 CFAALP Cc1nc(N2CCC[N@H+](C3CCCCC3)CC2)cc[nH+]1 ZINC000670460985 541003043 /nfs/dbraw/zinc/00/30/43/541003043.db2.gz WNLVXSODAPGWCI-UHFFFAOYSA-N 2 2 274.412 2.630 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000022935939 372248785 /nfs/dbraw/zinc/24/87/85/372248785.db2.gz LHLIZBJUZOKQEE-CQSZACIVSA-N 2 2 252.789 2.914 50 0 CFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000022935939 372248788 /nfs/dbraw/zinc/24/87/88/372248788.db2.gz LHLIZBJUZOKQEE-CQSZACIVSA-N 2 2 252.789 2.914 50 0 CFAALP CCc1[nH]c(CN(CC)CC[NH+]2CCCCCC2)c(C)[nH+]1 ZINC000063869335 373816869 /nfs/dbraw/zinc/81/68/69/373816869.db2.gz NKRUMUFZXMZWOK-UHFFFAOYSA-N 2 2 292.471 2.978 50 0 CFAALP c1cc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000065522821 373881886 /nfs/dbraw/zinc/88/18/86/373881886.db2.gz ZTDIPBWSUMRWHA-UHFFFAOYSA-N 2 2 273.424 2.574 50 0 CFAALP CC[NH+](CC)C1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000069452224 374063678 /nfs/dbraw/zinc/06/36/78/374063678.db2.gz XLNGUSGBILWVLK-UHFFFAOYSA-N 2 2 265.401 2.598 50 0 CFAALP CC(C)c1nccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)n1 ZINC000071768047 374222317 /nfs/dbraw/zinc/22/23/17/374222317.db2.gz YJSFGBBZBDKMSK-OAHLLOKOSA-N 2 2 299.422 2.709 50 0 CFAALP CC(C)c1nccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)n1 ZINC000071768047 374222324 /nfs/dbraw/zinc/22/23/24/374222324.db2.gz YJSFGBBZBDKMSK-OAHLLOKOSA-N 2 2 299.422 2.709 50 0 CFAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc[nH]n2)cc1 ZINC000084290991 374774374 /nfs/dbraw/zinc/77/43/74/374774374.db2.gz JRRREOAIFDLXTR-GFCCVEGCSA-N 2 2 281.363 2.755 50 0 CFAALP C[C@H]1C[C@H]([NH2+]C2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000084686464 374786850 /nfs/dbraw/zinc/78/68/50/374786850.db2.gz ZYVVPHVLBUQSDH-VNCIIQTRSA-N 2 2 288.435 2.543 50 0 CFAALP C[C@H]1C[C@H]([NH2+]C2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000084686464 374786855 /nfs/dbraw/zinc/78/68/55/374786855.db2.gz ZYVVPHVLBUQSDH-VNCIIQTRSA-N 2 2 288.435 2.543 50 0 CFAALP c1cn([C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000089807030 374956441 /nfs/dbraw/zinc/95/64/41/374956441.db2.gz QNIUSDPZSBCFIH-CABCVRRESA-N 2 2 299.374 2.538 50 0 CFAALP Cc1[nH]c2ccc(CNc3cc(C(C)C)[nH+]c(N)n3)cc2[nH+]1 ZINC000095362329 375422016 /nfs/dbraw/zinc/42/20/16/375422016.db2.gz ISPICHXUYMJIBU-UHFFFAOYSA-N 2 2 296.378 2.979 50 0 CFAALP Cc1[nH]c2cc(CNc3cc(C(C)C)[nH+]c(N)n3)ccc2[nH+]1 ZINC000095362329 375422019 /nfs/dbraw/zinc/42/20/19/375422019.db2.gz ISPICHXUYMJIBU-UHFFFAOYSA-N 2 2 296.378 2.979 50 0 CFAALP C[C@@H]([NH2+]CCCn1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095419832 375440430 /nfs/dbraw/zinc/44/04/30/375440430.db2.gz RTGFQMRXFWODJT-OAHLLOKOSA-N 2 2 295.390 2.810 50 0 CFAALP C[C@@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C[N@@H+]1C1CC1 ZINC000131609157 377735559 /nfs/dbraw/zinc/73/55/59/377735559.db2.gz JXPMWCUBTGGWIU-CABCVRRESA-N 2 2 280.456 2.941 50 0 CFAALP C[C@@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C[N@H+]1C1CC1 ZINC000131609157 377735564 /nfs/dbraw/zinc/73/55/64/377735564.db2.gz JXPMWCUBTGGWIU-CABCVRRESA-N 2 2 280.456 2.941 50 0 CFAALP Fc1ccc(C[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000131402515 377706961 /nfs/dbraw/zinc/70/69/61/377706961.db2.gz QDRXATSKMKYXIS-OAHLLOKOSA-N 2 2 273.355 2.587 50 0 CFAALP Fc1ccc(C[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000131402515 377706969 /nfs/dbraw/zinc/70/69/69/377706969.db2.gz QDRXATSKMKYXIS-OAHLLOKOSA-N 2 2 273.355 2.587 50 0 CFAALP Cc1c[nH+]c(N[C@H](C[NH+](C)C)c2ccccc2)nc1N(C)C ZINC000065504120 393630903 /nfs/dbraw/zinc/63/09/03/393630903.db2.gz IYTHGAABZJPDCD-OAHLLOKOSA-N 2 2 299.422 2.566 50 0 CFAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)C2 ZINC000252510124 393936933 /nfs/dbraw/zinc/93/69/33/393936933.db2.gz ZBVOQQIZZABFRE-OCCSQVGLSA-N 2 2 271.364 2.563 50 0 CFAALP C[C@@H](c1cccnc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000069369935 287154175 /nfs/dbraw/zinc/15/41/75/287154175.db2.gz SNAWOHJDNNFVST-AWEZNQCLSA-N 2 2 259.397 2.703 50 0 CFAALP Cc1[nH]c2ccccc2c(=O)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000008700912 170346850 /nfs/dbraw/zinc/34/68/50/170346850.db2.gz RROQIFFVZFLFDA-UHFFFAOYSA-N 2 2 299.418 2.775 50 0 CFAALP Cc1[nH]c2ccccc2c(=O)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000008700912 170346852 /nfs/dbraw/zinc/34/68/52/170346852.db2.gz RROQIFFVZFLFDA-UHFFFAOYSA-N 2 2 299.418 2.775 50 0 CFAALP CSc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020127046 171012462 /nfs/dbraw/zinc/01/24/62/171012462.db2.gz VORCIOIOJHSXFB-UHFFFAOYSA-N 2 2 250.411 2.594 50 0 CFAALP C[NH+](C)CC[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000020418781 171183645 /nfs/dbraw/zinc/18/36/45/171183645.db2.gz MUHFCLXBZOBTJC-UHFFFAOYSA-N 2 2 290.329 2.626 50 0 CFAALP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C[NH+]1CCCCC1 ZINC000039794768 174173060 /nfs/dbraw/zinc/17/30/60/174173060.db2.gz VYPFKWHOHHGMEE-AWEZNQCLSA-N 2 2 257.381 2.524 50 0 CFAALP Cc1[nH+]cn(Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000071904325 176295063 /nfs/dbraw/zinc/29/50/63/176295063.db2.gz VYQXIUNVGWCOFT-UHFFFAOYSA-N 2 2 252.321 2.734 50 0 CFAALP Cc1cc(Nc2ccccn2)cc(C2CC[NH2+]CC2)[nH+]1 ZINC000072343472 176371905 /nfs/dbraw/zinc/37/19/05/176371905.db2.gz FHVAPVHERBJISM-UHFFFAOYSA-N 2 2 268.364 2.996 50 0 CFAALP Fc1ccc(/C=C/C[N@@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)cc1 ZINC000097805721 534460423 /nfs/dbraw/zinc/46/04/23/534460423.db2.gz RUXHYIMYNVBEOM-CDDNYBJESA-N 2 2 260.356 2.523 50 0 CFAALP Fc1ccc(/C=C/C[N@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)cc1 ZINC000097805721 534460435 /nfs/dbraw/zinc/46/04/35/534460435.db2.gz RUXHYIMYNVBEOM-CDDNYBJESA-N 2 2 260.356 2.523 50 0 CFAALP CC(C)c1[nH+]ccn1CCCNc1[nH+]cnc2[nH]ccc21 ZINC000952990644 614327962 /nfs/dbraw/zinc/32/79/62/614327962.db2.gz VQYGCORJVLGKBW-UHFFFAOYSA-N 2 2 284.367 2.732 50 0 CFAALP Cc1ccc([C@H]2CSCC[N@@H+]2CCCn2cc[nH+]c2)o1 ZINC000097034126 185157835 /nfs/dbraw/zinc/15/78/35/185157835.db2.gz YEGPGZFQWOVIRU-CQSZACIVSA-N 2 2 291.420 2.965 50 0 CFAALP Cc1ccc([C@H]2CSCC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000097034126 185157837 /nfs/dbraw/zinc/15/78/37/185157837.db2.gz YEGPGZFQWOVIRU-CQSZACIVSA-N 2 2 291.420 2.965 50 0 CFAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)C2 ZINC000136386951 347909763 /nfs/dbraw/zinc/90/97/63/347909763.db2.gz BTHDWDVURAJBNZ-BBRMVZONSA-N 2 2 299.418 2.823 50 0 CFAALP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)C1 ZINC000245339382 348252170 /nfs/dbraw/zinc/25/21/70/348252170.db2.gz SJWDMGQGTMSJTA-OMNBBPDLSA-N 2 2 294.414 2.566 50 0 CFAALP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)C1 ZINC000245339382 348252174 /nfs/dbraw/zinc/25/21/74/348252174.db2.gz SJWDMGQGTMSJTA-OMNBBPDLSA-N 2 2 294.414 2.566 50 0 CFAALP C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585140471 348737384 /nfs/dbraw/zinc/73/73/84/348737384.db2.gz FQNNRIRYQWMOHE-GUYCJALGSA-N 2 2 285.391 2.568 50 0 CFAALP OC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000157122786 188297757 /nfs/dbraw/zinc/29/77/57/188297757.db2.gz PGJPLZNBBROMEK-KRWDZBQOSA-N 2 2 285.391 2.609 50 0 CFAALP OC[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000157122786 188297758 /nfs/dbraw/zinc/29/77/58/188297758.db2.gz PGJPLZNBBROMEK-KRWDZBQOSA-N 2 2 285.391 2.609 50 0 CFAALP CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000084325710 540198491 /nfs/dbraw/zinc/19/84/91/540198491.db2.gz KPAJAPGASUSSAO-ZDUSSCGKSA-N 2 2 273.384 2.528 50 0 CFAALP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000091264084 540392747 /nfs/dbraw/zinc/39/27/47/540392747.db2.gz VMXJGTBPHDEWSM-KRWDZBQOSA-N 2 2 285.391 2.805 50 0 CFAALP CCc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)o1 ZINC000585081303 540937590 /nfs/dbraw/zinc/93/75/90/540937590.db2.gz WTUMEPAAAPIRKH-UHFFFAOYSA-N 2 2 259.353 2.665 50 0 CFAALP Cc1n[nH]cc1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036901565 372607946 /nfs/dbraw/zinc/60/79/46/372607946.db2.gz DPKYPWJMZHMYFJ-QGZVFWFLSA-N 2 2 284.407 2.645 50 0 CFAALP C[C@@H](CC(C)(C)O)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000065499205 373879411 /nfs/dbraw/zinc/87/94/11/373879411.db2.gz NMZGLTSFYBAVEL-ZDUSSCGKSA-N 2 2 289.423 2.645 50 0 CFAALP CCc1c[nH+]c(C)nc1N(C)C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000065406809 373868435 /nfs/dbraw/zinc/86/84/35/373868435.db2.gz VWXFDTIFQXBQOX-AWEZNQCLSA-N 2 2 276.428 2.514 50 0 CFAALP CCc1c[nH+]c(C)nc1N(C)C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000065406809 373868438 /nfs/dbraw/zinc/86/84/38/373868438.db2.gz VWXFDTIFQXBQOX-AWEZNQCLSA-N 2 2 276.428 2.514 50 0 CFAALP C[C@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000080338436 374650911 /nfs/dbraw/zinc/65/09/11/374650911.db2.gz YNSJKKNVCACIEU-HOCLYGCPSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000080338436 374650917 /nfs/dbraw/zinc/65/09/17/374650917.db2.gz YNSJKKNVCACIEU-HOCLYGCPSA-N 2 2 284.407 2.552 50 0 CFAALP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000083953156 374759361 /nfs/dbraw/zinc/75/93/61/374759361.db2.gz FRHJZMAVZXGLFG-HNNXBMFYSA-N 2 2 292.398 2.752 50 0 CFAALP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000083953156 374759366 /nfs/dbraw/zinc/75/93/66/374759366.db2.gz FRHJZMAVZXGLFG-HNNXBMFYSA-N 2 2 292.398 2.752 50 0 CFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000090003984 374983607 /nfs/dbraw/zinc/98/36/07/374983607.db2.gz DMFDDORSJNNVBX-AWEZNQCLSA-N 2 2 289.448 2.979 50 0 CFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000090003984 374983610 /nfs/dbraw/zinc/98/36/10/374983610.db2.gz DMFDDORSJNNVBX-AWEZNQCLSA-N 2 2 289.448 2.979 50 0 CFAALP CCOCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095362955 375422063 /nfs/dbraw/zinc/42/20/63/375422063.db2.gz MEOTXHHLDLNYJS-CQSZACIVSA-N 2 2 265.401 2.680 50 0 CFAALP CCOCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095362955 375422065 /nfs/dbraw/zinc/42/20/65/375422065.db2.gz MEOTXHHLDLNYJS-CQSZACIVSA-N 2 2 265.401 2.680 50 0 CFAALP C[C@@H](Cc1ccsc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000096477183 375489074 /nfs/dbraw/zinc/48/90/74/375489074.db2.gz WDSJZQUNPNELRW-RYUDHWBXSA-N 2 2 252.427 2.751 50 0 CFAALP C[C@@H](Cc1ccsc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000096477183 375489081 /nfs/dbraw/zinc/48/90/81/375489081.db2.gz WDSJZQUNPNELRW-RYUDHWBXSA-N 2 2 252.427 2.751 50 0 CFAALP Cc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1Cl ZINC000097236363 375543339 /nfs/dbraw/zinc/54/33/39/375543339.db2.gz LTWCLMPIOSJYHX-UHFFFAOYSA-N 2 2 296.842 2.537 50 0 CFAALP Cc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1Cl ZINC000097236363 375543341 /nfs/dbraw/zinc/54/33/41/375543341.db2.gz LTWCLMPIOSJYHX-UHFFFAOYSA-N 2 2 296.842 2.537 50 0 CFAALP CC(C)c1nc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)co1 ZINC000215503028 382778865 /nfs/dbraw/zinc/77/88/65/382778865.db2.gz PAFXKMALTSBQES-CYBMUJFWSA-N 2 2 288.395 2.911 50 0 CFAALP CC(C)c1nc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)co1 ZINC000215503028 382778866 /nfs/dbraw/zinc/77/88/66/382778866.db2.gz PAFXKMALTSBQES-CYBMUJFWSA-N 2 2 288.395 2.911 50 0 CFAALP Cc1[nH]c(C[N@H+]2CCN(c3ccc(C)cc3)C[C@H]2C)c[nH+]1 ZINC000215536252 382779140 /nfs/dbraw/zinc/77/91/40/382779140.db2.gz TVRNRFLPLUPHGF-CQSZACIVSA-N 2 2 284.407 2.737 50 0 CFAALP Cc1[nH]c(C[N@@H+]2CCN(c3ccc(C)cc3)C[C@H]2C)c[nH+]1 ZINC000215536252 382779142 /nfs/dbraw/zinc/77/91/42/382779142.db2.gz TVRNRFLPLUPHGF-CQSZACIVSA-N 2 2 284.407 2.737 50 0 CFAALP C[N@H+](CCn1cc[nH+]c1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000215456074 382779228 /nfs/dbraw/zinc/77/92/28/382779228.db2.gz ZABCCFDRORCGFE-AWEZNQCLSA-N 2 2 291.420 2.928 50 0 CFAALP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000215456074 382779229 /nfs/dbraw/zinc/77/92/29/382779229.db2.gz ZABCCFDRORCGFE-AWEZNQCLSA-N 2 2 291.420 2.928 50 0 CFAALP Cc1noc(C)c1C[N@@H+](C)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000216417257 382783437 /nfs/dbraw/zinc/78/34/37/382783437.db2.gz XDNVYWIHYWDLPD-UHFFFAOYSA-N 2 2 285.391 2.869 50 0 CFAALP Cc1noc(C)c1C[N@H+](C)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000216417257 382783439 /nfs/dbraw/zinc/78/34/39/382783439.db2.gz XDNVYWIHYWDLPD-UHFFFAOYSA-N 2 2 285.391 2.869 50 0 CFAALP Cc1noc(C)c1C[NH+](C)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000216417257 382783441 /nfs/dbraw/zinc/78/34/41/382783441.db2.gz XDNVYWIHYWDLPD-UHFFFAOYSA-N 2 2 285.391 2.869 50 0 CFAALP Cc1noc(C)c1C[NH+](C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000216417257 382783442 /nfs/dbraw/zinc/78/34/42/382783442.db2.gz XDNVYWIHYWDLPD-UHFFFAOYSA-N 2 2 285.391 2.869 50 0 CFAALP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000229838797 382853683 /nfs/dbraw/zinc/85/36/83/382853683.db2.gz MCELIRJKBGHNNR-SJORKVTESA-N 2 2 288.435 2.710 50 0 CFAALP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000229838797 382853684 /nfs/dbraw/zinc/85/36/84/382853684.db2.gz MCELIRJKBGHNNR-SJORKVTESA-N 2 2 288.435 2.710 50 0 CFAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC000242339064 382985750 /nfs/dbraw/zinc/98/57/50/382985750.db2.gz ZEPVHIXVTXQWKD-UBDQQSCGSA-N 2 2 288.435 2.573 50 0 CFAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC000242339064 382985753 /nfs/dbraw/zinc/98/57/53/382985753.db2.gz ZEPVHIXVTXQWKD-UBDQQSCGSA-N 2 2 288.435 2.573 50 0 CFAALP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000250220493 383374010 /nfs/dbraw/zinc/37/40/10/383374010.db2.gz DRVBCMIKNHMZNH-ZBFHGGJFSA-N 2 2 276.424 2.787 50 0 CFAALP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000250220493 383374013 /nfs/dbraw/zinc/37/40/13/383374013.db2.gz DRVBCMIKNHMZNH-ZBFHGGJFSA-N 2 2 276.424 2.787 50 0 CFAALP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1C ZINC000261950878 383584490 /nfs/dbraw/zinc/58/44/90/383584490.db2.gz FYCOWUFFGMNIPM-HIFRSBDPSA-N 2 2 262.397 2.705 50 0 CFAALP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1C ZINC000261950878 383584492 /nfs/dbraw/zinc/58/44/92/383584492.db2.gz FYCOWUFFGMNIPM-HIFRSBDPSA-N 2 2 262.397 2.705 50 0 CFAALP CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000289357427 197310752 /nfs/dbraw/zinc/31/07/52/197310752.db2.gz GVKWFWSACJUPDB-INIZCTEOSA-N 2 2 273.380 2.975 50 0 CFAALP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000289357427 197310754 /nfs/dbraw/zinc/31/07/54/197310754.db2.gz GVKWFWSACJUPDB-INIZCTEOSA-N 2 2 273.380 2.975 50 0 CFAALP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc1 ZINC000095981736 393814083 /nfs/dbraw/zinc/81/40/83/393814083.db2.gz OUZCXDXBGQQGQH-GOEBONIOSA-N 2 2 270.380 2.670 50 0 CFAALP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc1 ZINC000095981736 393814086 /nfs/dbraw/zinc/81/40/86/393814086.db2.gz OUZCXDXBGQQGQH-GOEBONIOSA-N 2 2 270.380 2.670 50 0 CFAALP CC(C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000097034559 393840577 /nfs/dbraw/zinc/84/05/77/393840577.db2.gz WTQCVHIUEUJMEY-HNNXBMFYSA-N 2 2 276.424 2.884 50 0 CFAALP FC(F)(F)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000020268589 171125084 /nfs/dbraw/zinc/12/50/84/171125084.db2.gz GHYJRTOWLYPXHK-UHFFFAOYSA-N 2 2 258.287 2.501 50 0 CFAALP FC(F)(F)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000020268589 171125085 /nfs/dbraw/zinc/12/50/85/171125085.db2.gz GHYJRTOWLYPXHK-UHFFFAOYSA-N 2 2 258.287 2.501 50 0 CFAALP C[C@H](c1ccc(-c2[nH+]ccn2CCCO)cc1)[NH+](C)C ZINC000071746935 176258685 /nfs/dbraw/zinc/25/86/85/176258685.db2.gz UNDGTXBJZWWESJ-CYBMUJFWSA-N 2 2 273.380 2.555 50 0 CFAALP COc1c(C)c[nH+]c(CSc2nc(N)cc(C)[nH+]2)c1C ZINC000071905471 176296374 /nfs/dbraw/zinc/29/63/74/176296374.db2.gz DAFRDTLPYPLQCW-UHFFFAOYSA-N 2 2 290.392 2.680 50 0 CFAALP Cn1cc[nH+]c1CC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000078552939 177353494 /nfs/dbraw/zinc/35/34/94/177353494.db2.gz LCAAWELQFBYZJZ-UHFFFAOYSA-N 2 2 278.425 2.506 50 0 CFAALP Fc1c[nH+]ccc1N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000096138735 274916185 /nfs/dbraw/zinc/91/61/85/274916185.db2.gz RQEOTOKPKBUZAQ-CQSZACIVSA-N 2 2 277.387 2.923 50 0 CFAALP C[C@@H](C[NH+](C)C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534650034 328336593 /nfs/dbraw/zinc/33/65/93/328336593.db2.gz UDAMGUPVRQSMFI-LBPRGKRZSA-N 2 2 266.816 2.911 50 0 CFAALP C[C@@H]([NH2+]Cc1ccon1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909955 324034822 /nfs/dbraw/zinc/03/48/22/324034822.db2.gz KNJSKUFMBNCFDI-GFCCVEGCSA-N 2 2 268.320 2.711 50 0 CFAALP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCCSC3)[nH]c2c1 ZINC000131267487 328449121 /nfs/dbraw/zinc/44/91/21/328449121.db2.gz DYVSCZARASJHCH-LBPRGKRZSA-N 2 2 275.421 2.981 50 0 CFAALP Oc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000212697 539376341 /nfs/dbraw/zinc/37/63/41/539376341.db2.gz WNYQQHYHUCBUSZ-UHFFFAOYSA-N 2 2 274.408 2.843 50 0 CFAALP COc1cccc(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000585140347 348736307 /nfs/dbraw/zinc/73/63/07/348736307.db2.gz CPKLXLUPVDUKCP-KBPBESRZSA-N 2 2 262.397 2.576 50 0 CFAALP COc1cccc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000585140347 348736309 /nfs/dbraw/zinc/73/63/09/348736309.db2.gz CPKLXLUPVDUKCP-KBPBESRZSA-N 2 2 262.397 2.576 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000630061465 354994515 /nfs/dbraw/zinc/99/45/15/354994515.db2.gz XMVJMJIRVMEINJ-ZYHUDNBSSA-N 2 2 279.334 2.978 50 0 CFAALP CC(C)c1nc(C[NH2+][C@H]2CC[C@H]([NH+](C)C)C2)cs1 ZINC000092846728 540412016 /nfs/dbraw/zinc/41/20/16/540412016.db2.gz OCTSAYSBJBBMOO-AAEUAGOBSA-N 2 2 267.442 2.839 50 0 CFAALP C1=C(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000450402663 242398594 /nfs/dbraw/zinc/39/85/94/242398594.db2.gz KXZAIFQVIRMQQD-KRWDZBQOSA-N 2 2 278.440 2.531 50 0 CFAALP C1=C(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000450402663 242398601 /nfs/dbraw/zinc/39/86/01/242398601.db2.gz KXZAIFQVIRMQQD-KRWDZBQOSA-N 2 2 278.440 2.531 50 0 CFAALP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000016663228 372116142 /nfs/dbraw/zinc/11/61/42/372116142.db2.gz FWYRCAYEZAECOT-IYBDPMFKSA-N 2 2 288.435 2.760 50 0 CFAALP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000016663228 372116151 /nfs/dbraw/zinc/11/61/51/372116151.db2.gz FWYRCAYEZAECOT-IYBDPMFKSA-N 2 2 288.435 2.760 50 0 CFAALP Cc1cc([NH3+])ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057381072 373592343 /nfs/dbraw/zinc/59/23/43/373592343.db2.gz BOCASUBGRHAHHZ-UHFFFAOYSA-N 2 2 281.403 2.899 50 0 CFAALP CCCc1nc(NCC23CCC[NH+]2CCC3)cc(C)[nH+]1 ZINC000065535904 373885243 /nfs/dbraw/zinc/88/52/43/373885243.db2.gz OJQVSSPSERIDCF-UHFFFAOYSA-N 2 2 274.412 2.778 50 0 CFAALP COCC[NH+]1CCC(c2[nH]c[nH+]c2-c2ccccc2)CC1 ZINC000065369730 373859458 /nfs/dbraw/zinc/85/94/58/373859458.db2.gz XDIGKQRIPWANOF-UHFFFAOYSA-N 2 2 285.391 2.903 50 0 CFAALP Cn1cc[nH+]c1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000067818559 374007328 /nfs/dbraw/zinc/00/73/28/374007328.db2.gz HSRLUKQEGMZDAK-OAHLLOKOSA-N 2 2 285.391 2.867 50 0 CFAALP COc1ccc2[nH]c(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cc2c1 ZINC000067541795 373983962 /nfs/dbraw/zinc/98/39/62/373983962.db2.gz YPUREYZAULHRBO-LBPRGKRZSA-N 2 2 284.363 2.551 50 0 CFAALP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000069898373 374106906 /nfs/dbraw/zinc/10/69/06/374106906.db2.gz MNFUAXJDAJIBLS-AWEZNQCLSA-N 2 2 286.423 2.639 50 0 CFAALP Cc1ncsc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000071212766 374214542 /nfs/dbraw/zinc/21/45/42/374214542.db2.gz ZNAUWSPZBZHDIX-UHFFFAOYSA-N 2 2 288.420 2.605 50 0 CFAALP CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2(O)CCCCC2)C1 ZINC000071721500 374218902 /nfs/dbraw/zinc/21/89/02/374218902.db2.gz DNUVCUFDDFITBF-OAHLLOKOSA-N 2 2 291.439 2.778 50 0 CFAALP CC[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2(O)CCCCC2)C1 ZINC000071721500 374218908 /nfs/dbraw/zinc/21/89/08/374218908.db2.gz DNUVCUFDDFITBF-OAHLLOKOSA-N 2 2 291.439 2.778 50 0 CFAALP CC[NH+]1CCC([N@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000072559159 374265282 /nfs/dbraw/zinc/26/52/82/374265282.db2.gz LAXNFDPQRZMAFU-UHFFFAOYSA-N 2 2 275.440 2.669 50 0 CFAALP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000072559159 374265289 /nfs/dbraw/zinc/26/52/89/374265289.db2.gz LAXNFDPQRZMAFU-UHFFFAOYSA-N 2 2 275.440 2.669 50 0 CFAALP C[C@@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338361 374649869 /nfs/dbraw/zinc/64/98/69/374649869.db2.gz MZSLYYFQKYPXIQ-ZBFHGGJFSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000080338361 374649876 /nfs/dbraw/zinc/64/98/76/374649876.db2.gz MZSLYYFQKYPXIQ-ZBFHGGJFSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@@H]1C[C@@H](NCc2[nH]cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338361 374649884 /nfs/dbraw/zinc/64/98/84/374649884.db2.gz MZSLYYFQKYPXIQ-ZBFHGGJFSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@@H]1C[C@@H](NCc2[nH]cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000080338361 374649890 /nfs/dbraw/zinc/64/98/90/374649890.db2.gz MZSLYYFQKYPXIQ-ZBFHGGJFSA-N 2 2 284.407 2.552 50 0 CFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000097139200 375527777 /nfs/dbraw/zinc/52/77/77/375527777.db2.gz TUVVMUPIHSCSPM-ZDUSSCGKSA-N 2 2 275.421 2.936 50 0 CFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000097139200 375527782 /nfs/dbraw/zinc/52/77/82/375527782.db2.gz TUVVMUPIHSCSPM-ZDUSSCGKSA-N 2 2 275.421 2.936 50 0 CFAALP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000241316691 382983841 /nfs/dbraw/zinc/98/38/41/382983841.db2.gz LUBNCXLQDUSJGG-RHSMWYFYSA-N 2 2 285.391 2.975 50 0 CFAALP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCn2cc[nH+]c2)c1 ZINC000241316691 382983845 /nfs/dbraw/zinc/98/38/45/382983845.db2.gz LUBNCXLQDUSJGG-RHSMWYFYSA-N 2 2 285.391 2.975 50 0 CFAALP COCC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccs1 ZINC000244795206 382993033 /nfs/dbraw/zinc/99/30/33/382993033.db2.gz RBMKKKKROZRZDU-CQSZACIVSA-N 2 2 282.453 2.681 50 0 CFAALP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccs1 ZINC000244795206 382993037 /nfs/dbraw/zinc/99/30/37/382993037.db2.gz RBMKKKKROZRZDU-CQSZACIVSA-N 2 2 282.453 2.681 50 0 CFAALP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000244795206 382993040 /nfs/dbraw/zinc/99/30/40/382993040.db2.gz RBMKKKKROZRZDU-CQSZACIVSA-N 2 2 282.453 2.681 50 0 CFAALP COCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000244795206 382993043 /nfs/dbraw/zinc/99/30/43/382993043.db2.gz RBMKKKKROZRZDU-CQSZACIVSA-N 2 2 282.453 2.681 50 0 CFAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248827532 383295236 /nfs/dbraw/zinc/29/52/36/383295236.db2.gz GREDNBBARQQPKF-LSDHHAIUSA-N 2 2 275.396 2.775 50 0 CFAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248827532 383295238 /nfs/dbraw/zinc/29/52/38/383295238.db2.gz GREDNBBARQQPKF-LSDHHAIUSA-N 2 2 275.396 2.775 50 0 CFAALP [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000022875214 393490568 /nfs/dbraw/zinc/49/05/68/393490568.db2.gz FNLFYBHUAIQAHA-GFCCVEGCSA-N 2 2 258.287 2.801 50 0 CFAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000108323694 397598110 /nfs/dbraw/zinc/59/81/10/397598110.db2.gz XDMCTKREUFRIEM-DOTOQJQBSA-N 2 2 290.451 2.505 50 0 CFAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000108323694 397598111 /nfs/dbraw/zinc/59/81/11/397598111.db2.gz XDMCTKREUFRIEM-DOTOQJQBSA-N 2 2 290.451 2.505 50 0 CFAALP CCc1ccc(C[NH+]2CCC(c3[nH+]ccn3C)CC2)nc1 ZINC000215094651 397619305 /nfs/dbraw/zinc/61/93/05/397619305.db2.gz PXCJMJCGBNCXAU-UHFFFAOYSA-N 2 2 284.407 2.757 50 0 CFAALP CCC[NH+]1CCC([NH2+]Cc2ccccc2OC)CC1 ZINC000004989338 170049929 /nfs/dbraw/zinc/04/99/29/170049929.db2.gz JUUQYHAQEQGVQS-UHFFFAOYSA-N 2 2 262.397 2.659 50 0 CFAALP C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000020534123 171240814 /nfs/dbraw/zinc/24/08/14/171240814.db2.gz XEEAHHONRAKSOO-QGZVFWFLSA-N 2 2 298.434 2.549 50 0 CFAALP C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000020534123 171240815 /nfs/dbraw/zinc/24/08/15/171240815.db2.gz XEEAHHONRAKSOO-QGZVFWFLSA-N 2 2 298.434 2.549 50 0 CFAALP CC1CC[NH+](C[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000039794770 174173017 /nfs/dbraw/zinc/17/30/17/174173017.db2.gz WWYICTGGCFWOCN-HNNXBMFYSA-N 2 2 271.408 2.770 50 0 CFAALP Nc1cc[nH+]c(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000072434889 176403417 /nfs/dbraw/zinc/40/34/17/176403417.db2.gz FJBMCAPAETYHKC-CQSZACIVSA-N 2 2 289.427 2.515 50 0 CFAALP Nc1cc[nH+]c(N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000072434889 176403418 /nfs/dbraw/zinc/40/34/18/176403418.db2.gz FJBMCAPAETYHKC-CQSZACIVSA-N 2 2 289.427 2.515 50 0 CFAALP C[C@@H](C1CCN(c2cc[nH+]cc2F)CC1)[NH+]1CCCC1 ZINC000095523727 278220162 /nfs/dbraw/zinc/22/01/62/278220162.db2.gz CNHHYBULFVDCSX-ZDUSSCGKSA-N 2 2 277.387 2.921 50 0 CFAALP Cc1cccc(N2CCCN(c3cccc[nH+]3)CC2)[nH+]1 ZINC000158504351 281225829 /nfs/dbraw/zinc/22/58/29/281225829.db2.gz KAKLMVYJOWUCQX-UHFFFAOYSA-N 2 2 268.364 2.502 50 0 CFAALP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nn(C)c2cccc(Cl)c12 ZINC000534632416 328331913 /nfs/dbraw/zinc/33/19/13/328331913.db2.gz JZSSKNBEHFXQHO-NSHDSACASA-N 2 2 294.830 2.657 50 0 CFAALP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000195573493 324109323 /nfs/dbraw/zinc/10/93/23/324109323.db2.gz QUTHFQTYLLSWOJ-KRWDZBQOSA-N 2 2 298.390 2.506 50 0 CFAALP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000195573493 324109331 /nfs/dbraw/zinc/10/93/31/324109331.db2.gz QUTHFQTYLLSWOJ-KRWDZBQOSA-N 2 2 298.390 2.506 50 0 CFAALP CCCCc1[nH]c(CN(C)C[C@]2(C)CC[N@H+](C)C2)c[nH+]1 ZINC000952981728 614491252 /nfs/dbraw/zinc/49/12/52/614491252.db2.gz JXPNRIBMVTYTAA-MRXNPFEDSA-N 2 2 278.444 2.526 50 0 CFAALP CCCCc1[nH]c(CN(C)C[C@]2(C)CC[N@@H+](C)C2)c[nH+]1 ZINC000952981728 614491254 /nfs/dbraw/zinc/49/12/54/614491254.db2.gz JXPNRIBMVTYTAA-MRXNPFEDSA-N 2 2 278.444 2.526 50 0 CFAALP C[C@H](CC[C@H]1CC1(Cl)Cl)[NH2+]CCn1cc[nH+]c1 ZINC000888098221 619132163 /nfs/dbraw/zinc/13/21/63/619132163.db2.gz DIQDWIMYXSMTPD-MNOVXSKESA-N 2 2 276.211 2.835 50 0 CFAALP OC[C@H]1CCC[N@H+](CCCNc2[nH+]ccc3ccccc32)C1 ZINC000952968576 650790061 /nfs/dbraw/zinc/79/00/61/650790061.db2.gz MKFUWIKLVIHJIS-HNNXBMFYSA-N 2 2 299.418 2.741 50 0 CFAALP OC[C@H]1CCC[N@@H+](CCCNc2[nH+]ccc3ccccc32)C1 ZINC000952968576 650790063 /nfs/dbraw/zinc/79/00/63/650790063.db2.gz MKFUWIKLVIHJIS-HNNXBMFYSA-N 2 2 299.418 2.741 50 0 CFAALP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000097831095 230387882 /nfs/dbraw/zinc/38/78/82/230387882.db2.gz HGKKLKALTUHFHG-CQSZACIVSA-N 2 2 278.444 2.623 50 0 CFAALP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000097831095 230387883 /nfs/dbraw/zinc/38/78/83/230387883.db2.gz HGKKLKALTUHFHG-CQSZACIVSA-N 2 2 278.444 2.623 50 0 CFAALP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1F ZINC000095984089 185055101 /nfs/dbraw/zinc/05/51/01/185055101.db2.gz KEIVAAMBNCCVEC-UHFFFAOYSA-N 2 2 265.307 2.683 50 0 CFAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1F ZINC000095984089 185055102 /nfs/dbraw/zinc/05/51/02/185055102.db2.gz KEIVAAMBNCCVEC-UHFFFAOYSA-N 2 2 265.307 2.683 50 0 CFAALP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(F)c1F ZINC000095986039 185056710 /nfs/dbraw/zinc/05/67/10/185056710.db2.gz CDRAITWTFHBQQE-SNVBAGLBSA-N 2 2 251.280 2.512 50 0 CFAALP Cc1ncsc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000097377032 347709577 /nfs/dbraw/zinc/70/95/77/347709577.db2.gz VHTDSKVIFCLAIN-CYBMUJFWSA-N 2 2 290.436 2.640 50 0 CFAALP Cc1ncsc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000097377032 347709581 /nfs/dbraw/zinc/70/95/81/347709581.db2.gz VHTDSKVIFCLAIN-CYBMUJFWSA-N 2 2 290.436 2.640 50 0 CFAALP CCC1CC[NH+](CC[NH2+]C2CSCCSC2)CC1 ZINC000584901496 348733064 /nfs/dbraw/zinc/73/30/64/348733064.db2.gz LDTDTXRXKXPTQH-UHFFFAOYSA-N 2 2 288.526 2.547 50 0 CFAALP C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H](c1ccccc1)[NH+](C)C ZINC000585140472 348737193 /nfs/dbraw/zinc/73/71/93/348737193.db2.gz FQNNRIRYQWMOHE-SUMWQHHRSA-N 2 2 285.391 2.568 50 0 CFAALP CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000084325707 540198392 /nfs/dbraw/zinc/19/83/92/540198392.db2.gz KPAJAPGASUSSAO-CYBMUJFWSA-N 2 2 273.384 2.528 50 0 CFAALP Cc1noc([C@@H]([NH2+][C@@H](C)Cn2c[nH+]c(C)c2C)C(C)C)n1 ZINC000091724506 540398609 /nfs/dbraw/zinc/39/86/09/540398609.db2.gz AJYJZSLADURHGA-HZMBPMFUSA-N 2 2 291.399 2.567 50 0 CFAALP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000675768660 540687540 /nfs/dbraw/zinc/68/75/40/540687540.db2.gz ZTAQURGHGIAELD-HIFRSBDPSA-N 2 2 260.381 2.584 50 0 CFAALP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000675768660 540687543 /nfs/dbraw/zinc/68/75/43/540687543.db2.gz ZTAQURGHGIAELD-HIFRSBDPSA-N 2 2 260.381 2.584 50 0 CFAALP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000019960346 372216358 /nfs/dbraw/zinc/21/63/58/372216358.db2.gz DRVBCMIKNHMZNH-HOCLYGCPSA-N 2 2 276.424 2.787 50 0 CFAALP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000019960346 372216364 /nfs/dbraw/zinc/21/63/64/372216364.db2.gz DRVBCMIKNHMZNH-HOCLYGCPSA-N 2 2 276.424 2.787 50 0 CFAALP CCCCc1[nH]c(CN2CCC[C@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000022913853 372247479 /nfs/dbraw/zinc/24/74/79/372247479.db2.gz BPFOODCSZXZQPY-INIZCTEOSA-N 2 2 290.455 2.813 50 0 CFAALP CCCCc1[nH]cc(CN2CCC[C@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000022913853 372247488 /nfs/dbraw/zinc/24/74/88/372247488.db2.gz BPFOODCSZXZQPY-INIZCTEOSA-N 2 2 290.455 2.813 50 0 CFAALP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)c1 ZINC000022936406 372248900 /nfs/dbraw/zinc/24/89/00/372248900.db2.gz YAMQVRDTOKUMFQ-OAHLLOKOSA-N 2 2 262.397 2.659 50 0 CFAALP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)c1 ZINC000022936406 372248903 /nfs/dbraw/zinc/24/89/03/372248903.db2.gz YAMQVRDTOKUMFQ-OAHLLOKOSA-N 2 2 262.397 2.659 50 0 CFAALP CC(C)Oc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000034991014 372524840 /nfs/dbraw/zinc/52/48/40/372524840.db2.gz XEYJQPNUQKYJNF-UHFFFAOYSA-N 2 2 273.380 2.850 50 0 CFAALP CCCc1nc(N2CCC([NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC000065460660 373874895 /nfs/dbraw/zinc/87/48/95/373874895.db2.gz VEMQHNXTQIOLBR-UHFFFAOYSA-N 2 2 288.439 2.802 50 0 CFAALP Cc1cccn2c(C[NH2+]C3CSCCSC3)c[nH+]c12 ZINC000067805404 374005045 /nfs/dbraw/zinc/00/50/45/374005045.db2.gz UYUXAQQVWKCXHA-UHFFFAOYSA-N 2 2 293.461 2.581 50 0 CFAALP Cc1ccccc1-c1[nH+]ccn1CCC[NH+]1CCOCC1 ZINC000067847507 374009459 /nfs/dbraw/zinc/00/94/59/374009459.db2.gz YNMFSJWJOJHLFU-UHFFFAOYSA-N 2 2 285.391 2.581 50 0 CFAALP CCC[C@@](C)(CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000072289929 374242225 /nfs/dbraw/zinc/24/22/25/374242225.db2.gz UXKDFXDCDXAEPK-INIZCTEOSA-N 2 2 291.370 2.652 50 0 CFAALP Fc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959207 374677103 /nfs/dbraw/zinc/67/71/03/374677103.db2.gz YFZXRQCAYFYJIV-ZDUSSCGKSA-N 2 2 259.328 2.928 50 0 CFAALP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000083953154 374759678 /nfs/dbraw/zinc/75/96/78/374759678.db2.gz FRHJZMAVZXGLFG-OAHLLOKOSA-N 2 2 292.398 2.752 50 0 CFAALP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000083953154 374759683 /nfs/dbraw/zinc/75/96/83/374759683.db2.gz FRHJZMAVZXGLFG-OAHLLOKOSA-N 2 2 292.398 2.752 50 0 CFAALP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@]2(C)CO)n1-c1ccccc1 ZINC000084048220 374761562 /nfs/dbraw/zinc/76/15/62/374761562.db2.gz MHDUTSXATREFOA-ZWKOTPCHSA-N 2 2 299.418 2.821 50 0 CFAALP Cc1nc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000082096541 374725937 /nfs/dbraw/zinc/72/59/37/374725937.db2.gz QILBUBAOMYMIND-LBPRGKRZSA-N 2 2 276.409 2.565 50 0 CFAALP Cc1nc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000082096541 374725942 /nfs/dbraw/zinc/72/59/42/374725942.db2.gz QILBUBAOMYMIND-LBPRGKRZSA-N 2 2 276.409 2.565 50 0 CFAALP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000095431719 375447030 /nfs/dbraw/zinc/44/70/30/375447030.db2.gz DGDKTXVRBWJNGX-OAHLLOKOSA-N 2 2 296.418 2.792 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000097140105 375528480 /nfs/dbraw/zinc/52/84/80/375528480.db2.gz DTENZIZQEMKXPA-SFHVURJKSA-N 2 2 298.434 2.953 50 0 CFAALP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)nc1 ZINC000097376957 375554337 /nfs/dbraw/zinc/55/43/37/375554337.db2.gz BAOYKEQOQKOULW-OAHLLOKOSA-N 2 2 284.407 2.578 50 0 CFAALP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)nc1 ZINC000097376957 375554340 /nfs/dbraw/zinc/55/43/40/375554340.db2.gz BAOYKEQOQKOULW-OAHLLOKOSA-N 2 2 284.407 2.578 50 0 CFAALP CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@H]1[NH2+]CC[NH+](C)C ZINC000101848673 375656712 /nfs/dbraw/zinc/65/67/12/375656712.db2.gz XFNDXCULCBDGRM-BZUAXINKSA-N 2 2 298.471 2.676 50 0 CFAALP CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)o1 ZINC000102856124 375696063 /nfs/dbraw/zinc/69/60/63/375696063.db2.gz KADGPOLDMGECIP-VIKVFOODSA-N 2 2 262.397 2.614 50 0 CFAALP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)o1 ZINC000102856124 375696068 /nfs/dbraw/zinc/69/60/68/375696068.db2.gz KADGPOLDMGECIP-VIKVFOODSA-N 2 2 262.397 2.614 50 0 CFAALP c1cn(CC[NH+]2CCC(COc3ccccc3)CC2)c[nH+]1 ZINC000130741541 377603593 /nfs/dbraw/zinc/60/35/93/377603593.db2.gz LJXIUXYSDNUIDQ-UHFFFAOYSA-N 2 2 285.391 2.674 50 0 CFAALP C[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C[N@@H+]1C1CC1 ZINC000131609800 377736318 /nfs/dbraw/zinc/73/63/18/377736318.db2.gz JXPMWCUBTGGWIU-LSDHHAIUSA-N 2 2 280.456 2.941 50 0 CFAALP C[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C[N@H+]1C1CC1 ZINC000131609800 377736329 /nfs/dbraw/zinc/73/63/29/377736329.db2.gz JXPMWCUBTGGWIU-LSDHHAIUSA-N 2 2 280.456 2.941 50 0 CFAALP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000191839662 382702875 /nfs/dbraw/zinc/70/28/75/382702875.db2.gz YMKKQUFJOGDMDV-GOSISDBHSA-N 2 2 288.435 2.850 50 0 CFAALP CC[NH+](CC)CCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000191839662 382702876 /nfs/dbraw/zinc/70/28/76/382702876.db2.gz YMKKQUFJOGDMDV-GOSISDBHSA-N 2 2 288.435 2.850 50 0 CFAALP Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000195530381 382769317 /nfs/dbraw/zinc/76/93/17/382769317.db2.gz UUDYFMYWVPSFCC-KBPBESRZSA-N 2 2 272.396 2.701 50 0 CFAALP Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000195530381 382769319 /nfs/dbraw/zinc/76/93/19/382769319.db2.gz UUDYFMYWVPSFCC-KBPBESRZSA-N 2 2 272.396 2.701 50 0 CFAALP Fc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc(F)c1F ZINC000195573475 382769926 /nfs/dbraw/zinc/76/99/26/382769926.db2.gz WEQFBLYMRHQARQ-LBPRGKRZSA-N 2 2 295.308 2.965 50 0 CFAALP Fc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc(F)c1F ZINC000195573475 382769928 /nfs/dbraw/zinc/76/99/28/382769928.db2.gz WEQFBLYMRHQARQ-LBPRGKRZSA-N 2 2 295.308 2.965 50 0 CFAALP COc1ccc(C[N@@H+](C)CCn2cc[nH+]c2)cc1Cl ZINC000215369770 382778503 /nfs/dbraw/zinc/77/85/03/382778503.db2.gz UNMITVJVDMRHSU-UHFFFAOYSA-N 2 2 279.771 2.677 50 0 CFAALP Cc1c[nH]c(C[N@@H+](C)Cc2cccc([C@@H](C)[NH+](C)C)c2)n1 ZINC000216098325 382782217 /nfs/dbraw/zinc/78/22/17/382782217.db2.gz JJRIYHIXUVTQDE-CQSZACIVSA-N 2 2 286.423 2.973 50 0 CFAALP Cc1c[nH]c(C[N@H+](C)Cc2cccc([C@@H](C)[NH+](C)C)c2)n1 ZINC000216098325 382782218 /nfs/dbraw/zinc/78/22/18/382782218.db2.gz JJRIYHIXUVTQDE-CQSZACIVSA-N 2 2 286.423 2.973 50 0 CFAALP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000236948438 382935249 /nfs/dbraw/zinc/93/52/49/382935249.db2.gz FWKNXWKRTGNVTL-GFCCVEGCSA-N 2 2 286.379 2.636 50 0 CFAALP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000252516619 383416524 /nfs/dbraw/zinc/41/65/24/383416524.db2.gz VHHKUNNWRMAQFJ-GVXVVHGQSA-N 2 2 291.424 2.687 50 0 CFAALP Cc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000252516619 383416526 /nfs/dbraw/zinc/41/65/26/383416526.db2.gz VHHKUNNWRMAQFJ-GVXVVHGQSA-N 2 2 291.424 2.687 50 0 CFAALP [NH3+][C@H]1CC[N@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000216082090 393755347 /nfs/dbraw/zinc/75/53/47/393755347.db2.gz IUTVTSJOFXNLBZ-LBPRGKRZSA-N 2 2 250.411 2.939 50 0 CFAALP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000216082090 393755351 /nfs/dbraw/zinc/75/53/51/393755351.db2.gz IUTVTSJOFXNLBZ-LBPRGKRZSA-N 2 2 250.411 2.939 50 0 CFAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2O)C1 ZINC000252487232 393935596 /nfs/dbraw/zinc/93/55/96/393935596.db2.gz URLDGLUOTOXKON-LAVFITLUSA-N 2 2 288.435 2.715 50 0 CFAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2O)C1 ZINC000252487232 393935599 /nfs/dbraw/zinc/93/55/99/393935599.db2.gz URLDGLUOTOXKON-LAVFITLUSA-N 2 2 288.435 2.715 50 0 CFAALP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c(C)c1OC ZINC000285505110 394144104 /nfs/dbraw/zinc/14/41/04/394144104.db2.gz CWGVSYQKLXROQL-ZDUSSCGKSA-N 2 2 289.379 2.560 50 0 CFAALP CCCc1c[nH+]c(C)nc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077380314 177260557 /nfs/dbraw/zinc/26/05/57/177260557.db2.gz RLOQTAMULTVVMJ-AWEZNQCLSA-N 2 2 285.395 2.845 50 0 CFAALP c1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2s1 ZINC000095403184 275065995 /nfs/dbraw/zinc/06/59/95/275065995.db2.gz LCBCKTCGBXWTQD-GFCCVEGCSA-N 2 2 273.405 2.971 50 0 CFAALP Cc1cccc(N2CCC([NH2+]CCc3[nH]cc[nH+]3)CC2)c1C ZINC000534670147 328346963 /nfs/dbraw/zinc/34/69/63/328346963.db2.gz MFMJQAHKEULDRB-UHFFFAOYSA-N 2 2 298.434 2.828 50 0 CFAALP COc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095972681 185049397 /nfs/dbraw/zinc/04/93/97/185049397.db2.gz APVUGNCZZPYUEI-AWEZNQCLSA-N 2 2 271.364 2.798 50 0 CFAALP COc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095972681 185049399 /nfs/dbraw/zinc/04/93/99/185049399.db2.gz APVUGNCZZPYUEI-AWEZNQCLSA-N 2 2 271.364 2.798 50 0 CFAALP Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000095986401 185055993 /nfs/dbraw/zinc/05/59/93/185055993.db2.gz GXJDWDTUSQGPOM-LLVKDONJSA-N 2 2 297.362 2.723 50 0 CFAALP CC[C@H](COC)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478781 529399027 /nfs/dbraw/zinc/39/90/27/529399027.db2.gz LFCLLVRYLDRGOZ-DZGCQCFKSA-N 2 2 273.380 2.948 50 0 CFAALP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](C(C)C)CC3)nc21 ZINC000170073608 348053362 /nfs/dbraw/zinc/05/33/62/348053362.db2.gz HBSFFXYRZVNPRW-UHFFFAOYSA-N 2 2 286.423 2.834 50 0 CFAALP CCSC[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000584890472 348728297 /nfs/dbraw/zinc/72/82/97/348728297.db2.gz ORVNGVPJPRGHMC-GFCCVEGCSA-N 2 2 263.410 2.608 50 0 CFAALP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)c3)CC2)C1 ZINC000584892482 348729147 /nfs/dbraw/zinc/72/91/47/348729147.db2.gz PJJHROFPFASYBJ-KRWDZBQOSA-N 2 2 287.451 2.648 50 0 CFAALP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)c3)CC2)C1 ZINC000584892482 348729151 /nfs/dbraw/zinc/72/91/51/348729151.db2.gz PJJHROFPFASYBJ-KRWDZBQOSA-N 2 2 287.451 2.648 50 0 CFAALP [NH3+][C@H]1C[N@H+](Cc2c[nH]nc2C2CCCCC2)C[C@@H]1C1CC1 ZINC000092022812 180308487 /nfs/dbraw/zinc/30/84/87/180308487.db2.gz PKEPTGQNKFVRFL-CVEARBPZSA-N 2 2 288.439 2.627 50 0 CFAALP [NH3+][C@H]1C[N@@H+](Cc2c[nH]nc2C2CCCCC2)C[C@@H]1C1CC1 ZINC000092022812 180308490 /nfs/dbraw/zinc/30/84/90/180308490.db2.gz PKEPTGQNKFVRFL-CVEARBPZSA-N 2 2 288.439 2.627 50 0 CFAALP Fc1c[nH+]ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000095502446 283040014 /nfs/dbraw/zinc/04/00/14/283040014.db2.gz MCRCKMMNBAPVLA-UHFFFAOYSA-N 2 2 263.360 2.675 50 0 CFAALP Fc1c[nH+]ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000095502446 283040016 /nfs/dbraw/zinc/04/00/16/283040016.db2.gz MCRCKMMNBAPVLA-UHFFFAOYSA-N 2 2 263.360 2.675 50 0 CFAALP CC(C)c1nc(C[NH2+][C@@H]2CC[C@H]([NH+](C)C)C2)cs1 ZINC000092846727 540412240 /nfs/dbraw/zinc/41/22/40/540412240.db2.gz OCTSAYSBJBBMOO-YPMHNXCESA-N 2 2 267.442 2.839 50 0 CFAALP Cc1cc(C)n(C[C@H](C)[NH2+]Cc2ccc3[nH+]c(C)[nH]c3c2)n1 ZINC000670452757 541000399 /nfs/dbraw/zinc/00/03/99/541000399.db2.gz MLSSWLXFMVVHDS-LBPRGKRZSA-N 2 2 297.406 2.863 50 0 CFAALP Cc1cc(C)n(C[C@H](C)[NH2+]Cc2ccc3[nH]c(C)[nH+]c3c2)n1 ZINC000670452757 541000401 /nfs/dbraw/zinc/00/04/01/541000401.db2.gz MLSSWLXFMVVHDS-LBPRGKRZSA-N 2 2 297.406 2.863 50 0 CFAALP Clc1ccncc1C[NH+]1CCC(Cn2cc[nH+]c2)CC1 ZINC000670452730 541000602 /nfs/dbraw/zinc/00/06/02/541000602.db2.gz LVOSKFWOOROPQG-UHFFFAOYSA-N 2 2 290.798 2.844 50 0 CFAALP COc1ccc(CC[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000002498832 371730437 /nfs/dbraw/zinc/73/04/37/371730437.db2.gz BCQSQXXORVVSKU-OAHLLOKOSA-N 2 2 287.407 2.893 50 0 CFAALP Fc1cccc(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000003888401 371822812 /nfs/dbraw/zinc/82/28/12/371822812.db2.gz GOFVEVMNZARKMO-UHFFFAOYSA-N 2 2 267.735 2.856 50 0 CFAALP CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@H]1[NH2+]CC[NH+](C)C ZINC000019774446 372185981 /nfs/dbraw/zinc/18/59/81/372185981.db2.gz XFNDXCULCBDGRM-XHSDSOJGSA-N 2 2 298.471 2.676 50 0 CFAALP C[C@H](C[NH2+]Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000022032960 372244523 /nfs/dbraw/zinc/24/45/23/372244523.db2.gz NADLSYHUPNECSA-OAHLLOKOSA-N 2 2 254.377 2.955 50 0 CFAALP CC[NH+](CC)CC1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000047977785 373136876 /nfs/dbraw/zinc/13/68/76/373136876.db2.gz IPASIIJFANVDFC-UHFFFAOYSA-N 2 2 294.443 2.747 50 0 CFAALP CCCSc1ncc(C[NH2+]CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000055153014 373544279 /nfs/dbraw/zinc/54/42/79/373544279.db2.gz OYFZRRUBFMSANE-AWEZNQCLSA-N 2 2 294.468 2.553 50 0 CFAALP CCCSc1ncc(C[NH2+]CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000055153014 373544285 /nfs/dbraw/zinc/54/42/85/373544285.db2.gz OYFZRRUBFMSANE-AWEZNQCLSA-N 2 2 294.468 2.553 50 0 CFAALP OCc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000069670334 374084611 /nfs/dbraw/zinc/08/46/11/374084611.db2.gz MQJWBNZGMZUOTB-UHFFFAOYSA-N 2 2 293.370 2.654 50 0 CFAALP c1[nH]cc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)[nH+]1 ZINC000072481591 374255925 /nfs/dbraw/zinc/25/59/25/374255925.db2.gz NQHIYPDKOPCJEX-UHFFFAOYSA-N 2 2 298.434 2.550 50 0 CFAALP c1[nH]cc(CN2CCC[N@H+](CCCc3ccccc3)CC2)[nH+]1 ZINC000072481591 374255929 /nfs/dbraw/zinc/25/59/29/374255929.db2.gz NQHIYPDKOPCJEX-UHFFFAOYSA-N 2 2 298.434 2.550 50 0 CFAALP c1[nH]c(CN2CCC[N@@H+](CCCc3ccccc3)CC2)c[nH+]1 ZINC000072481591 374255930 /nfs/dbraw/zinc/25/59/30/374255930.db2.gz NQHIYPDKOPCJEX-UHFFFAOYSA-N 2 2 298.434 2.550 50 0 CFAALP c1[nH]c(CN2CCC[N@H+](CCCc3ccccc3)CC2)c[nH+]1 ZINC000072481591 374255933 /nfs/dbraw/zinc/25/59/33/374255933.db2.gz NQHIYPDKOPCJEX-UHFFFAOYSA-N 2 2 298.434 2.550 50 0 CFAALP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000078950273 374577573 /nfs/dbraw/zinc/57/75/73/374577573.db2.gz MCELIRJKBGHNNR-DLBZAZTESA-N 2 2 288.435 2.710 50 0 CFAALP Cc1cccc([C@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000078950273 374577581 /nfs/dbraw/zinc/57/75/81/374577581.db2.gz MCELIRJKBGHNNR-DLBZAZTESA-N 2 2 288.435 2.710 50 0 CFAALP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000080338431 374650177 /nfs/dbraw/zinc/65/01/77/374650177.db2.gz YNSJKKNVCACIEU-ZBFHGGJFSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000080338431 374650187 /nfs/dbraw/zinc/65/01/87/374650187.db2.gz YNSJKKNVCACIEU-ZBFHGGJFSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)C1 ZINC000088734988 374860946 /nfs/dbraw/zinc/86/09/46/374860946.db2.gz ZEPVHIXVTXQWKD-NRSFXHEJSA-N 2 2 288.435 2.573 50 0 CFAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)C1 ZINC000088734988 374860951 /nfs/dbraw/zinc/86/09/51/374860951.db2.gz ZEPVHIXVTXQWKD-NRSFXHEJSA-N 2 2 288.435 2.573 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1sc(C)nc1C)CCC2 ZINC000089702100 374939336 /nfs/dbraw/zinc/93/93/36/374939336.db2.gz XJNWCYRHKBHEKL-ZDUSSCGKSA-N 2 2 290.436 2.932 50 0 CFAALP Cc1cc(C)c(CNC(=O)CCC[NH+]2CCCCC2)c[nH+]1 ZINC000095370722 375422723 /nfs/dbraw/zinc/42/27/23/375422723.db2.gz LDSXVNPSBAXALR-UHFFFAOYSA-N 2 2 289.423 2.581 50 0 CFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415405 375437876 /nfs/dbraw/zinc/43/78/76/375437876.db2.gz MJDBEOQEUYCCDO-NSHDSACASA-N 2 2 276.409 2.785 50 0 CFAALP C[C@H](C[NH2+]Cc1cc(F)cc2cccnc21)Cn1cc[nH+]c1 ZINC000095415424 375438040 /nfs/dbraw/zinc/43/80/40/375438040.db2.gz SHFVUGBZAQGIKB-CYBMUJFWSA-N 2 2 298.365 2.996 50 0 CFAALP FC(F)n1cc[nH+]c1CCNc1[nH]c2ccccc2[nH+]1 ZINC000095447146 375452040 /nfs/dbraw/zinc/45/20/40/375452040.db2.gz YECYWQHPCXJFIP-UHFFFAOYSA-N 2 2 277.278 2.809 50 0 CFAALP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000097238352 375545134 /nfs/dbraw/zinc/54/51/34/375545134.db2.gz PIAUWTBQNUPLCJ-MRXNPFEDSA-N 2 2 296.842 2.836 50 0 CFAALP Clc1ccccc1O[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000133354098 377924206 /nfs/dbraw/zinc/92/42/06/377924206.db2.gz AXCXPXQKNDJFDP-ZDUSSCGKSA-N 2 2 291.782 2.690 50 0 CFAALP Clc1ccccc1O[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000133354098 377924210 /nfs/dbraw/zinc/92/42/10/377924210.db2.gz AXCXPXQKNDJFDP-ZDUSSCGKSA-N 2 2 291.782 2.690 50 0 CFAALP Cn1cc[nH+]c1CSCC[N@H+](C)Cc1ccccc1 ZINC000193626296 382721643 /nfs/dbraw/zinc/72/16/43/382721643.db2.gz JEXGOUPFICEOAD-UHFFFAOYSA-N 2 2 275.421 2.785 50 0 CFAALP Cn1cc[nH+]c1CSCC[N@@H+](C)Cc1ccccc1 ZINC000193626296 382721644 /nfs/dbraw/zinc/72/16/44/382721644.db2.gz JEXGOUPFICEOAD-UHFFFAOYSA-N 2 2 275.421 2.785 50 0 CFAALP CC(=O)c1cc(C[N@H+](C)CCn2cc[nH+]c2C)cs1 ZINC000215398104 382778402 /nfs/dbraw/zinc/77/84/02/382778402.db2.gz SAJGOROSNQGFEW-UHFFFAOYSA-N 2 2 277.393 2.588 50 0 CFAALP CC(=O)c1cc(C[N@@H+](C)CCn2cc[nH+]c2C)cs1 ZINC000215398104 382778403 /nfs/dbraw/zinc/77/84/03/382778403.db2.gz SAJGOROSNQGFEW-UHFFFAOYSA-N 2 2 277.393 2.588 50 0 CFAALP CCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000575316589 382758225 /nfs/dbraw/zinc/75/82/25/382758225.db2.gz QLLJLZXLRZVZMD-INIZCTEOSA-N 2 2 284.407 2.986 50 0 CFAALP CCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000575316589 382758227 /nfs/dbraw/zinc/75/82/27/382758227.db2.gz QLLJLZXLRZVZMD-INIZCTEOSA-N 2 2 284.407 2.986 50 0 CFAALP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000225434866 382815825 /nfs/dbraw/zinc/81/58/25/382815825.db2.gz DJCQRLXAVOCXRG-QGZVFWFLSA-N 2 2 282.387 2.895 50 0 CFAALP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000225434866 382815826 /nfs/dbraw/zinc/81/58/26/382815826.db2.gz DJCQRLXAVOCXRG-QGZVFWFLSA-N 2 2 282.387 2.895 50 0 CFAALP c1coc(CCC[NH+]2CCC([NH+]3CCSCC3)CC2)c1 ZINC000244884181 382994446 /nfs/dbraw/zinc/99/44/46/382994446.db2.gz YGWSTUYNKLXPIG-UHFFFAOYSA-N 2 2 294.464 2.725 50 0 CFAALP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000453193467 383796874 /nfs/dbraw/zinc/79/68/74/383796874.db2.gz IEDVWSPPQDVXMG-IIDMSEBBSA-N 2 2 298.434 2.689 50 0 CFAALP C[C@@H]1C[N@H+](C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000002734585 393454089 /nfs/dbraw/zinc/45/40/89/393454089.db2.gz LGZGLORGIAFKQY-GASCZTMLSA-N 2 2 280.456 2.893 50 0 CFAALP C[C@@H]1C[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000002734585 393454092 /nfs/dbraw/zinc/45/40/92/393454092.db2.gz LGZGLORGIAFKQY-GASCZTMLSA-N 2 2 280.456 2.893 50 0 CFAALP C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@H]1n1cc[nH+]c1 ZINC000245592642 393818667 /nfs/dbraw/zinc/81/86/67/393818667.db2.gz KXUQRNXNKQXREX-GOEBONIOSA-N 2 2 295.390 2.614 50 0 CFAALP C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@H]1n1cc[nH+]c1 ZINC000245592642 393818670 /nfs/dbraw/zinc/81/86/70/393818670.db2.gz KXUQRNXNKQXREX-GOEBONIOSA-N 2 2 295.390 2.614 50 0 CFAALP CC(C)C[N@@H+]1CC[C@@H](CN(C)Cc2c[nH+]cn2C(C)C)C1 ZINC000097446948 393840745 /nfs/dbraw/zinc/84/07/45/393840745.db2.gz BOUXDYMOQDKKLH-INIZCTEOSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[N@H+]1CC[C@@H](CN(C)Cc2c[nH+]cn2C(C)C)C1 ZINC000097446948 393840748 /nfs/dbraw/zinc/84/07/48/393840748.db2.gz BOUXDYMOQDKKLH-INIZCTEOSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cncn2C(C)C)C1 ZINC000097446948 393840751 /nfs/dbraw/zinc/84/07/51/393840751.db2.gz BOUXDYMOQDKKLH-INIZCTEOSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cncn2C(C)C)C1 ZINC000097446948 393840753 /nfs/dbraw/zinc/84/07/53/393840753.db2.gz BOUXDYMOQDKKLH-INIZCTEOSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cncn2C(C)C)C1 ZINC000097446948 393840757 /nfs/dbraw/zinc/84/07/57/393840757.db2.gz BOUXDYMOQDKKLH-INIZCTEOSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cncn2C(C)C)C1 ZINC000097446948 393840761 /nfs/dbraw/zinc/84/07/61/393840761.db2.gz BOUXDYMOQDKKLH-INIZCTEOSA-N 2 2 292.471 2.874 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000252511630 393936688 /nfs/dbraw/zinc/93/66/88/393936688.db2.gz IWCLPZAQHOGIPC-BRWVUGGUSA-N 2 2 286.419 2.870 50 0 CFAALP C[N+]1=C(/C=C\C=C/C=C\C=C2/SCC[N@H+]2C)SCC1 ZINC000202455674 542997041 /nfs/dbraw/zinc/99/70/41/542997041.db2.gz RADNEGBNMCBRGE-UHFFFAOYSA-N 2 2 293.481 2.963 50 0 CFAALP C[N+]1=C(/C=C\C=C/C=C\C=C2/SCC[N@@H+]2C)SCC1 ZINC000202455674 542997046 /nfs/dbraw/zinc/99/70/46/542997046.db2.gz RADNEGBNMCBRGE-UHFFFAOYSA-N 2 2 293.481 2.963 50 0 CFAALP c1cn(-c2ncccc2C[NH2+]C2Cc3ccccc3C2)c[nH+]1 ZINC000020912484 171279364 /nfs/dbraw/zinc/27/93/64/171279364.db2.gz TTZLBERCZAIDIJ-UHFFFAOYSA-N 2 2 290.370 2.524 50 0 CFAALP C[NH+]1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000037250110 173062210 /nfs/dbraw/zinc/06/22/10/173062210.db2.gz BXULTJRIMXLDJU-UHFFFAOYSA-N 2 2 288.313 2.769 50 0 CFAALP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000072162940 176330705 /nfs/dbraw/zinc/33/07/05/176330705.db2.gz PFZNQQUPANSXIR-OAHLLOKOSA-N 2 2 266.335 2.540 50 0 CFAALP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000072162940 176330706 /nfs/dbraw/zinc/33/07/06/176330706.db2.gz PFZNQQUPANSXIR-OAHLLOKOSA-N 2 2 266.335 2.540 50 0 CFAALP Cc1cccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000274581016 274793884 /nfs/dbraw/zinc/79/38/84/274793884.db2.gz HOWORNQVRLHNIS-OCCSQVGLSA-N 2 2 256.353 2.674 50 0 CFAALP CC(C)=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000095968974 277324508 /nfs/dbraw/zinc/32/45/08/277324508.db2.gz OHKPOXLHGKWAGQ-MSOLQXFVSA-N 3 2 293.499 2.879 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCSCC1)CCC2 ZINC000095402076 280578710 /nfs/dbraw/zinc/57/87/10/280578710.db2.gz FJGVTKZCEHVHIB-GFCCVEGCSA-N 2 2 265.426 2.554 50 0 CFAALP CC(C)n1cc[nH+]c1CN(C)C[C@H](C)C[NH+]1CCCC1 ZINC000219772195 280776723 /nfs/dbraw/zinc/77/67/23/280776723.db2.gz YSKMSRYTDYWEAS-HNNXBMFYSA-N 2 2 278.444 2.628 50 0 CFAALP Cc1nnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000096006409 185062613 /nfs/dbraw/zinc/06/26/13/185062613.db2.gz AGBWMKSQMAIXSX-LLVKDONJSA-N 2 2 297.362 2.723 50 0 CFAALP CC[C@@H](COC)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478783 529520094 /nfs/dbraw/zinc/52/00/94/529520094.db2.gz LFCLLVRYLDRGOZ-HIFRSBDPSA-N 2 2 273.380 2.948 50 0 CFAALP c1cn(CC2CC[NH+](C3Cc4ccccc4C3)CC2)c[nH+]1 ZINC000670444913 540997226 /nfs/dbraw/zinc/99/72/26/540997226.db2.gz INGNRLUANISJJY-UHFFFAOYSA-N 2 2 281.403 2.763 50 0 CFAALP CC(C)[NH2+]C1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000182645599 189329813 /nfs/dbraw/zinc/32/98/13/189329813.db2.gz GBEZWQJRVMXXCN-UHFFFAOYSA-N 2 2 292.398 2.861 50 0 CFAALP Fc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000000317208 371585969 /nfs/dbraw/zinc/58/59/69/371585969.db2.gz HSEHCQJLPBUHJC-UHFFFAOYSA-N 2 2 262.372 2.886 50 0 CFAALP COc1ccc2[nH]c(C3CCC(C[NH3+])CC3)[nH+]c2c1 ZINC000019737166 372182598 /nfs/dbraw/zinc/18/25/98/372182598.db2.gz RTSFLODLKBBKJO-UHFFFAOYSA-N 2 2 259.353 2.804 50 0 CFAALP c1ccc(CCC[N@@H+]2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC000032517869 372443348 /nfs/dbraw/zinc/44/33/48/372443348.db2.gz WVFUKDMILYTKSV-QGZVFWFLSA-N 2 2 258.409 2.789 50 0 CFAALP c1ccc(CCC[N@H+]2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC000032517869 372443350 /nfs/dbraw/zinc/44/33/50/372443350.db2.gz WVFUKDMILYTKSV-QGZVFWFLSA-N 2 2 258.409 2.789 50 0 CFAALP c1ccc(CCC[NH+]2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000032517869 372443353 /nfs/dbraw/zinc/44/33/53/372443353.db2.gz WVFUKDMILYTKSV-QGZVFWFLSA-N 2 2 258.409 2.789 50 0 CFAALP c1ccc(CCC[NH+]2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000032517869 372443354 /nfs/dbraw/zinc/44/33/54/372443354.db2.gz WVFUKDMILYTKSV-QGZVFWFLSA-N 2 2 258.409 2.789 50 0 CFAALP Fc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932243 372612273 /nfs/dbraw/zinc/61/22/73/372612273.db2.gz VVBKHXRCVVLLTM-UHFFFAOYSA-N 2 2 285.366 2.979 50 0 CFAALP Cc1noc(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786525 372709048 /nfs/dbraw/zinc/70/90/48/372709048.db2.gz JAUQVALXENQKKX-UHFFFAOYSA-N 2 2 265.401 2.644 50 0 CFAALP Cc1[nH]c(C[N@H+](C)CCOc2ccc(C)cc2C)c[nH+]1 ZINC000055283203 373546874 /nfs/dbraw/zinc/54/68/74/373546874.db2.gz VQGMZGRCSIHFSS-UHFFFAOYSA-N 2 2 273.380 2.846 50 0 CFAALP Cc1[nH]c(C[N@@H+](C)CCOc2ccc(C)cc2C)c[nH+]1 ZINC000055283203 373546879 /nfs/dbraw/zinc/54/68/79/373546879.db2.gz VQGMZGRCSIHFSS-UHFFFAOYSA-N 2 2 273.380 2.846 50 0 CFAALP Cc1ccccc1CSCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000067817393 374004911 /nfs/dbraw/zinc/00/49/11/374004911.db2.gz LZLYOICKMKAPCO-HNNXBMFYSA-N 2 2 264.438 2.570 50 0 CFAALP CCC[C@H](C)c1[nH+]ccn1CCC[NH+]1CCOCC1 ZINC000067847786 374009564 /nfs/dbraw/zinc/00/95/64/374009564.db2.gz ZOOZYSXICLOXBO-AWEZNQCLSA-N 2 2 265.401 2.509 50 0 CFAALP CSC[C@@H](C)[NH2+]CCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000067909047 374015894 /nfs/dbraw/zinc/01/58/94/374015894.db2.gz DIXQPSYLPCASQT-SNVBAGLBSA-N 2 2 281.400 2.976 50 0 CFAALP CCc1csc(C[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC000067965757 374017447 /nfs/dbraw/zinc/01/74/47/374017447.db2.gz ZXDRQUIJPAEFNK-UHFFFAOYSA-N 2 2 281.469 2.916 50 0 CFAALP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ncc[nH]1 ZINC000089930202 374970559 /nfs/dbraw/zinc/97/05/59/374970559.db2.gz SXFNDTUCIGICGY-GJZGRUSLSA-N 2 2 298.434 2.656 50 0 CFAALP COCC[N@H+](C)CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000095435231 375448150 /nfs/dbraw/zinc/44/81/50/375448150.db2.gz SHMJXYAHWJZOEJ-KRWDZBQOSA-N 2 2 290.451 2.868 50 0 CFAALP COCC[N@@H+](C)CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000095435231 375448157 /nfs/dbraw/zinc/44/81/57/375448157.db2.gz SHMJXYAHWJZOEJ-KRWDZBQOSA-N 2 2 290.451 2.868 50 0 CFAALP [NH3+]CC(F)(F)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000162677022 378926247 /nfs/dbraw/zinc/92/62/47/378926247.db2.gz TUNXTCILBLZZJO-UHFFFAOYSA-N 2 2 271.698 2.894 50 0 CFAALP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(O)c1 ZINC000241121789 382982263 /nfs/dbraw/zinc/98/22/63/382982263.db2.gz JDWJYNDFKLZJRX-ZDUSSCGKSA-N 2 2 285.391 2.818 50 0 CFAALP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000241316693 382983681 /nfs/dbraw/zinc/98/36/81/382983681.db2.gz LUBNCXLQDUSJGG-YOEHRIQHSA-N 2 2 285.391 2.975 50 0 CFAALP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCn2cc[nH+]c2)c1 ZINC000241316693 382983684 /nfs/dbraw/zinc/98/36/84/382983684.db2.gz LUBNCXLQDUSJGG-YOEHRIQHSA-N 2 2 285.391 2.975 50 0 CFAALP COc1cc[nH+]c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000242263327 382985551 /nfs/dbraw/zinc/98/55/51/382985551.db2.gz XYDZNKOYWHVPKB-GOSISDBHSA-N 2 2 297.402 2.579 50 0 CFAALP COc1cc[nH+]c(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000242263327 382985554 /nfs/dbraw/zinc/98/55/54/382985554.db2.gz XYDZNKOYWHVPKB-GOSISDBHSA-N 2 2 297.402 2.579 50 0 CFAALP Clc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)s1 ZINC000426442667 383400119 /nfs/dbraw/zinc/40/01/19/383400119.db2.gz OTQGULXMQALUPU-BKUVIOGVSA-N 2 2 268.813 2.584 50 0 CFAALP Clc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)s1 ZINC000426442667 383400121 /nfs/dbraw/zinc/40/01/21/383400121.db2.gz OTQGULXMQALUPU-BKUVIOGVSA-N 2 2 268.813 2.584 50 0 CFAALP C[C@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000426541659 383405651 /nfs/dbraw/zinc/40/56/51/383405651.db2.gz UWGQCPXYJUAHKL-NSHDSACASA-N 2 2 292.427 2.534 50 0 CFAALP C[C@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1c[nH]c[nH+]1 ZINC000426541659 383405657 /nfs/dbraw/zinc/40/56/57/383405657.db2.gz UWGQCPXYJUAHKL-NSHDSACASA-N 2 2 292.427 2.534 50 0 CFAALP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1n1cc[nH+]c1 ZINC000252802297 383435426 /nfs/dbraw/zinc/43/54/26/383435426.db2.gz LBUXPBUYIHWUKQ-WMLDXEAASA-N 2 2 297.402 2.901 50 0 CFAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1 ZINC000253370356 383452218 /nfs/dbraw/zinc/45/22/18/383452218.db2.gz PTLWJGYBBPKNQV-CRAIPNDOSA-N 2 2 281.403 2.692 50 0 CFAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1 ZINC000253370356 383452220 /nfs/dbraw/zinc/45/22/20/383452220.db2.gz PTLWJGYBBPKNQV-CRAIPNDOSA-N 2 2 281.403 2.692 50 0 CFAALP CC(C)c1nnsc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000072125412 393642169 /nfs/dbraw/zinc/64/21/69/393642169.db2.gz FFKQUCWAPYGLGL-LBPRGKRZSA-N 2 2 282.457 2.578 50 0 CFAALP CC(C)c1nnsc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000072125412 393642174 /nfs/dbraw/zinc/64/21/74/393642174.db2.gz FFKQUCWAPYGLGL-LBPRGKRZSA-N 2 2 282.457 2.578 50 0 CFAALP CC(C)[NH2+]CC(=O)Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000004817406 170022743 /nfs/dbraw/zinc/02/27/43/170022743.db2.gz FJYJIBYKCXJBMW-UHFFFAOYSA-N 2 2 283.375 2.660 50 0 CFAALP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000008373883 170333397 /nfs/dbraw/zinc/33/33/97/170333397.db2.gz XZBLMUHEDFTZLD-UHFFFAOYSA-N 2 2 258.365 2.988 50 0 CFAALP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683857 175230333 /nfs/dbraw/zinc/23/03/33/175230333.db2.gz XQAYWPNGIGSDFQ-LBPRGKRZSA-N 2 2 282.334 2.614 50 0 CFAALP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683857 175230335 /nfs/dbraw/zinc/23/03/35/175230335.db2.gz XQAYWPNGIGSDFQ-LBPRGKRZSA-N 2 2 282.334 2.614 50 0 CFAALP C[NH2+]CCCCNc1nccc(-c2ccc(C)[nH+]c2C)n1 ZINC000071714793 176249438 /nfs/dbraw/zinc/24/94/38/176249438.db2.gz CJVLVQFGMFZTMR-UHFFFAOYSA-N 2 2 285.395 2.567 50 0 CFAALP Cc1n[nH]cc1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000071819511 176270301 /nfs/dbraw/zinc/27/03/01/176270301.db2.gz KQDGDOUTECGUOS-CQSZACIVSA-N 2 2 290.436 2.706 50 0 CFAALP Nc1cc(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)nc[nH+]1 ZINC000072409965 176398570 /nfs/dbraw/zinc/39/85/70/176398570.db2.gz ARLYWKHYFZEZTL-AWEZNQCLSA-N 2 2 289.427 2.515 50 0 CFAALP Nc1cc(N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)nc[nH+]1 ZINC000072409965 176398571 /nfs/dbraw/zinc/39/85/71/176398571.db2.gz ARLYWKHYFZEZTL-AWEZNQCLSA-N 2 2 289.427 2.515 50 0 CFAALP Fc1ccc(OC2CC[NH+](CCc3[nH]cc[nH+]3)CC2)cc1 ZINC000826588598 782024581 /nfs/dbraw/zinc/02/45/81/782024581.db2.gz BMCDYFRXQWALSS-UHFFFAOYSA-N 2 2 289.354 2.635 50 0 CFAALP C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@@H]1n1cc[nH+]c1 ZINC000095981733 265321467 /nfs/dbraw/zinc/32/14/67/265321467.db2.gz KXUQRNXNKQXREX-HOCLYGCPSA-N 2 2 295.390 2.614 50 0 CFAALP C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@@H]1n1cc[nH+]c1 ZINC000095981733 265321468 /nfs/dbraw/zinc/32/14/68/265321468.db2.gz KXUQRNXNKQXREX-HOCLYGCPSA-N 2 2 295.390 2.614 50 0 CFAALP CCS[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000190034817 276400299 /nfs/dbraw/zinc/40/02/99/276400299.db2.gz WUQVNBKGUMLCDU-STQMWFEESA-N 2 2 253.415 2.537 50 0 CFAALP CC(C)=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000095968977 277324517 /nfs/dbraw/zinc/32/45/17/277324517.db2.gz OHKPOXLHGKWAGQ-ZWKOTPCHSA-N 3 2 293.499 2.879 50 0 CFAALP C/C1=[NH+]\CCC[NH2+]C(C)(C)C/C(C)=[NH+]/CC[NH2+]C(C)(C)C1 ZINC000068604553 277733344 /nfs/dbraw/zinc/73/33/44/277733344.db2.gz ZVOBKJJHLCZQSV-JSAVKQRWSA-N 4 2 294.487 2.829 50 0 CFAALP CC(C)(C)c1ccc(C(=O)CCC[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000534670950 328347413 /nfs/dbraw/zinc/34/74/13/328347413.db2.gz SNZWNFUDKNNTNQ-MRXNPFEDSA-N 2 2 288.435 2.980 50 0 CFAALP CC(C)(C)c1ccc(C(=O)CCC[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000534670950 328347415 /nfs/dbraw/zinc/34/74/15/328347415.db2.gz SNZWNFUDKNNTNQ-MRXNPFEDSA-N 2 2 288.435 2.980 50 0 CFAALP C[C@H]([NH2+]Cc1ccon1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909941 324034752 /nfs/dbraw/zinc/03/47/52/324034752.db2.gz KNJSKUFMBNCFDI-LBPRGKRZSA-N 2 2 268.320 2.711 50 0 CFAALP Cc1[nH+]c[nH]c1CN1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000107016594 534718159 /nfs/dbraw/zinc/71/81/59/534718159.db2.gz VGSXOINNVYZSFO-QGZVFWFLSA-N 2 2 290.455 2.660 50 0 CFAALP Cc1[nH+]c[nH]c1CN1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000107016594 534718168 /nfs/dbraw/zinc/71/81/68/534718168.db2.gz VGSXOINNVYZSFO-QGZVFWFLSA-N 2 2 290.455 2.660 50 0 CFAALP C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000003683492 536340312 /nfs/dbraw/zinc/34/03/12/536340312.db2.gz YYQCCEWNNWORIB-UHFFFAOYSA-N 2 2 293.842 2.556 50 0 CFAALP CCCc1noc([C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000095955979 185042959 /nfs/dbraw/zinc/04/29/59/185042959.db2.gz DZZQFNZUZHHFSA-GFCCVEGCSA-N 2 2 289.383 2.617 50 0 CFAALP c1cc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccn1 ZINC000096012979 185065461 /nfs/dbraw/zinc/06/54/61/185065461.db2.gz MEAAZDSNLDEZHR-KRWDZBQOSA-N 2 2 283.375 2.563 50 0 CFAALP c1cc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccn1 ZINC000096012979 185065462 /nfs/dbraw/zinc/06/54/62/185065462.db2.gz MEAAZDSNLDEZHR-KRWDZBQOSA-N 2 2 283.375 2.563 50 0 CFAALP COc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000096876701 185119143 /nfs/dbraw/zinc/11/91/43/185119143.db2.gz GAAJICBIRXYVSG-OAHLLOKOSA-N 2 2 276.424 2.702 50 0 CFAALP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(F)c1 ZINC000097032960 185155537 /nfs/dbraw/zinc/15/55/37/185155537.db2.gz YPLBZSZWWJDYMA-UHFFFAOYSA-N 2 2 265.307 2.683 50 0 CFAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(F)c1 ZINC000097032960 185155538 /nfs/dbraw/zinc/15/55/38/185155538.db2.gz YPLBZSZWWJDYMA-UHFFFAOYSA-N 2 2 265.307 2.683 50 0 CFAALP Cc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000097103382 347707035 /nfs/dbraw/zinc/70/70/35/347707035.db2.gz FIMLOHILGPWRMB-LBPRGKRZSA-N 2 2 265.401 2.818 50 0 CFAALP Cc1cc(C)cc(N2CCC([NH2+][C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000584901117 348733015 /nfs/dbraw/zinc/73/30/15/348733015.db2.gz ODFVGYMNEWOARB-KRWDZBQOSA-N 2 2 287.451 2.566 50 0 CFAALP Cc1cc(C)cc(N2CCC([NH2+][C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000584901117 348733019 /nfs/dbraw/zinc/73/30/19/348733019.db2.gz ODFVGYMNEWOARB-KRWDZBQOSA-N 2 2 287.451 2.566 50 0 CFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000092037700 180310494 /nfs/dbraw/zinc/31/04/94/180310494.db2.gz RICCEBAFVWWMMA-HNNXBMFYSA-N 2 2 299.418 2.823 50 0 CFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000092037700 180310496 /nfs/dbraw/zinc/31/04/96/180310496.db2.gz RICCEBAFVWWMMA-HNNXBMFYSA-N 2 2 299.418 2.823 50 0 CFAALP C[N@@H+](Cc1ccc(Cl)o1)C[C@H]1CCC[NH+](C)C1 ZINC000092253339 180353160 /nfs/dbraw/zinc/35/31/60/180353160.db2.gz GBYPWTPVUZYQJJ-NSHDSACASA-N 2 2 256.777 2.707 50 0 CFAALP C[N@H+](Cc1ccc(Cl)o1)C[C@H]1CCC[NH+](C)C1 ZINC000092253339 180353161 /nfs/dbraw/zinc/35/31/61/180353161.db2.gz GBYPWTPVUZYQJJ-NSHDSACASA-N 2 2 256.777 2.707 50 0 CFAALP C[NH+](Cc1ccc(Cl)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253339 180353163 /nfs/dbraw/zinc/35/31/63/180353163.db2.gz GBYPWTPVUZYQJJ-NSHDSACASA-N 2 2 256.777 2.707 50 0 CFAALP C[NH+](Cc1ccc(Cl)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253339 180353165 /nfs/dbraw/zinc/35/31/65/180353165.db2.gz GBYPWTPVUZYQJJ-NSHDSACASA-N 2 2 256.777 2.707 50 0 CFAALP Cc1nc(C)c(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)s1 ZINC000084062479 540192727 /nfs/dbraw/zinc/19/27/27/540192727.db2.gz DCAZKJMSNNYITK-LBPRGKRZSA-N 2 2 276.409 2.624 50 0 CFAALP CC[NH+]1CCC([NH2+][C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000670454882 541000818 /nfs/dbraw/zinc/00/08/18/541000818.db2.gz RYTOABJOVNZBKS-SFHVURJKSA-N 2 2 298.434 2.698 50 0 CFAALP Cc1cn2c3ccccc3n(CC[NH+]3CCCC3)c2[nH+]1 ZINC000000241469 371565962 /nfs/dbraw/zinc/56/59/62/371565962.db2.gz DCNLJZCTLYSANC-UHFFFAOYSA-N 2 2 268.364 2.693 50 0 CFAALP [NH3+]C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019504351 372170090 /nfs/dbraw/zinc/17/00/90/372170090.db2.gz BGXWETBTBPDHLX-UHFFFAOYSA-N 2 2 258.287 2.629 50 0 CFAALP CSc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000016990215 372122788 /nfs/dbraw/zinc/12/27/88/372122788.db2.gz CXTGVTAIOIDPAE-UHFFFAOYSA-N 2 2 261.394 2.785 50 0 CFAALP Fc1ccc(OC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000019795279 372188717 /nfs/dbraw/zinc/18/87/17/372188717.db2.gz BFKHSYFQZYPTTM-UHFFFAOYSA-N 2 2 289.354 2.566 50 0 CFAALP Cc1nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000036932231 372612325 /nfs/dbraw/zinc/61/23/25/372612325.db2.gz RHLITGPDUFCDFP-UHFFFAOYSA-N 2 2 288.420 2.605 50 0 CFAALP CC(C)=CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000040002647 372780071 /nfs/dbraw/zinc/78/00/71/372780071.db2.gz ONPCTWPAIGFHDT-UHFFFAOYSA-N 2 2 288.439 2.997 50 0 CFAALP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683856 373007630 /nfs/dbraw/zinc/00/76/30/373007630.db2.gz XQAYWPNGIGSDFQ-GFCCVEGCSA-N 2 2 282.334 2.614 50 0 CFAALP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683856 373007642 /nfs/dbraw/zinc/00/76/42/373007642.db2.gz XQAYWPNGIGSDFQ-GFCCVEGCSA-N 2 2 282.334 2.614 50 0 CFAALP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050227811 373364531 /nfs/dbraw/zinc/36/45/31/373364531.db2.gz NZVSWPFFBLBRJP-KRWDZBQOSA-N 2 2 252.361 2.887 50 0 CFAALP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050227811 373364537 /nfs/dbraw/zinc/36/45/37/373364537.db2.gz NZVSWPFFBLBRJP-KRWDZBQOSA-N 2 2 252.361 2.887 50 0 CFAALP CN(Cc1[nH]cc[nH+]1)Cc1ccccc1C[NH+]1CCCC1 ZINC000065371451 373859651 /nfs/dbraw/zinc/85/96/51/373859651.db2.gz DXFADSVFTJATJN-UHFFFAOYSA-N 2 2 284.407 2.638 50 0 CFAALP CCC[NH+]1CCC([NH2+][C@@H](c2nccn2C)C(C)C)CC1 ZINC000065430724 373871227 /nfs/dbraw/zinc/87/12/27/373871227.db2.gz PHRBFNYZRWGUOW-OAHLLOKOSA-N 2 2 278.444 2.581 50 0 CFAALP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000069898377 374107012 /nfs/dbraw/zinc/10/70/12/374107012.db2.gz MNFUAXJDAJIBLS-CQSZACIVSA-N 2 2 286.423 2.639 50 0 CFAALP Cc1ccc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)c[nH+]1 ZINC000072421565 374251873 /nfs/dbraw/zinc/25/18/73/374251873.db2.gz PBJUMOYZJRFGLT-JKSUJKDBSA-N 2 2 292.448 2.529 50 0 CFAALP CCCCc1[nH]c(CN2C[C@@H](CCC)[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000082121196 374725977 /nfs/dbraw/zinc/72/59/77/374725977.db2.gz RWIWWZIOBHEFDO-GDBMZVCRSA-N 2 2 292.471 2.914 50 0 CFAALP CCCCc1[nH]cc(CN2C[C@@H](CCC)[C@H]([NH+](C)C)C2)[nH+]1 ZINC000082121196 374725983 /nfs/dbraw/zinc/72/59/83/374725983.db2.gz RWIWWZIOBHEFDO-GDBMZVCRSA-N 2 2 292.471 2.914 50 0 CFAALP Clc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)o1 ZINC000084436756 374776877 /nfs/dbraw/zinc/77/68/77/374776877.db2.gz HHCBMXGJMCABOG-JTQLQIEISA-N 2 2 265.744 2.797 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnn3ccccc13)CCC2 ZINC000089702149 374939032 /nfs/dbraw/zinc/93/90/32/374939032.db2.gz NBTCSIQYMWUUET-CQSZACIVSA-N 2 2 295.390 2.506 50 0 CFAALP CC1(C)C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C(C)(C)O1 ZINC000094424246 375360629 /nfs/dbraw/zinc/36/06/29/375360629.db2.gz XYULBBZLKYSPDD-CYBMUJFWSA-N 2 2 265.401 2.599 50 0 CFAALP Cc1ccsc1C[N@@H+]1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000097088335 375512986 /nfs/dbraw/zinc/51/29/86/375512986.db2.gz FKPWRBDKLQMGEG-OAHLLOKOSA-N 2 2 294.464 2.743 50 0 CFAALP Cc1ccsc1C[N@H+]1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000097088335 375512992 /nfs/dbraw/zinc/51/29/92/375512992.db2.gz FKPWRBDKLQMGEG-OAHLLOKOSA-N 2 2 294.464 2.743 50 0 CFAALP Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000097102367 375518442 /nfs/dbraw/zinc/51/84/42/375518442.db2.gz JDWCQNMWYIXXFH-GOSISDBHSA-N 2 2 298.434 2.564 50 0 CFAALP Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000097102367 375518448 /nfs/dbraw/zinc/51/84/48/375518448.db2.gz JDWCQNMWYIXXFH-GOSISDBHSA-N 2 2 298.434 2.564 50 0 CFAALP CCCn1ncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000097711770 375579383 /nfs/dbraw/zinc/57/93/83/375579383.db2.gz PZXCMGHPSLMROX-INIZCTEOSA-N 2 2 278.444 2.518 50 0 CFAALP CCCn1ncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000097711770 375579388 /nfs/dbraw/zinc/57/93/88/375579388.db2.gz PZXCMGHPSLMROX-INIZCTEOSA-N 2 2 278.444 2.518 50 0 CFAALP CC[NH+](CC)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000019636822 284634709 /nfs/dbraw/zinc/63/47/09/284634709.db2.gz AUUIJEWURDSYLV-UHFFFAOYSA-N 2 2 250.430 2.743 50 0 CFAALP Clc1ccccc1O[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000133353876 377924036 /nfs/dbraw/zinc/92/40/36/377924036.db2.gz AXCXPXQKNDJFDP-CYBMUJFWSA-N 2 2 291.782 2.690 50 0 CFAALP Clc1ccccc1O[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000133353876 377924040 /nfs/dbraw/zinc/92/40/40/377924040.db2.gz AXCXPXQKNDJFDP-CYBMUJFWSA-N 2 2 291.782 2.690 50 0 CFAALP Cc1cccc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[nH+]1 ZINC000158038404 378662569 /nfs/dbraw/zinc/66/25/69/378662569.db2.gz DJFSIYZXEKEDBA-AWEZNQCLSA-N 2 2 270.380 2.583 50 0 CFAALP C[NH+](C)CCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000188070102 382338521 /nfs/dbraw/zinc/33/85/21/382338521.db2.gz GZELXZBBLARGGE-UHFFFAOYSA-N 2 2 261.394 2.667 50 0 CFAALP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)C1 ZINC000195540842 382769078 /nfs/dbraw/zinc/76/90/78/382769078.db2.gz SJWDMGQGTMSJTA-OSRSDYAFSA-N 2 2 294.414 2.566 50 0 CFAALP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)C1 ZINC000195540842 382769081 /nfs/dbraw/zinc/76/90/81/382769081.db2.gz SJWDMGQGTMSJTA-OSRSDYAFSA-N 2 2 294.414 2.566 50 0 CFAALP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC(C)C ZINC000221157732 382797389 /nfs/dbraw/zinc/79/73/89/382797389.db2.gz DXCZFJCADJLELH-OAHLLOKOSA-N 2 2 292.423 2.666 50 0 CFAALP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC(C)C ZINC000221157732 382797391 /nfs/dbraw/zinc/79/73/91/382797391.db2.gz DXCZFJCADJLELH-OAHLLOKOSA-N 2 2 292.423 2.666 50 0 CFAALP c1cn(CCC[N@@H+]2CCCc3sccc3C2)c[nH+]1 ZINC000225548506 382818247 /nfs/dbraw/zinc/81/82/47/382818247.db2.gz YXYXFRMPSYCFKX-UHFFFAOYSA-N 2 2 261.394 2.783 50 0 CFAALP c1cn(CCC[N@H+]2CCCc3sccc3C2)c[nH+]1 ZINC000225548506 382818250 /nfs/dbraw/zinc/81/82/50/382818250.db2.gz YXYXFRMPSYCFKX-UHFFFAOYSA-N 2 2 261.394 2.783 50 0 CFAALP Cc1[nH]cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)[nH+]1 ZINC000426642885 383408231 /nfs/dbraw/zinc/40/82/31/383408231.db2.gz KXVWPWWEQWUHMP-LBPRGKRZSA-N 2 2 271.364 2.778 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccc(O)c1 ZINC000020186703 171050717 /nfs/dbraw/zinc/05/07/17/171050717.db2.gz FQTIBYYRYPPUCP-UHFFFAOYSA-N 2 2 281.359 2.840 50 0 CFAALP C[C@@H](Cc1ccccc1F)[NH2+]CC[NH+]1CCCCC1 ZINC000022455418 171388458 /nfs/dbraw/zinc/38/84/58/171388458.db2.gz OASVWNOZXMIQOY-AWEZNQCLSA-N 2 2 264.388 2.832 50 0 CFAALP CC(C)Oc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000037228636 173049050 /nfs/dbraw/zinc/04/90/50/173049050.db2.gz BIMFGEUQFLABQT-UHFFFAOYSA-N 2 2 262.397 2.659 50 0 CFAALP c1[nH+]cn2c1C[N@H+](Cc1cc3ccccc3[nH]1)CCC2 ZINC000072128247 176321360 /nfs/dbraw/zinc/32/13/60/176321360.db2.gz PSVDHDAJAJARHI-UHFFFAOYSA-N 2 2 266.348 2.770 50 0 CFAALP c1[nH+]cn2c1C[N@@H+](Cc1cc3ccccc3[nH]1)CCC2 ZINC000072128247 176321361 /nfs/dbraw/zinc/32/13/61/176321361.db2.gz PSVDHDAJAJARHI-UHFFFAOYSA-N 2 2 266.348 2.770 50 0 CFAALP Cc1nc(N2CCC[C@H]([NH+](C)C)CC2)c2c([nH+]1)CCCC2 ZINC000242346945 282010156 /nfs/dbraw/zinc/01/01/56/282010156.db2.gz ZKLFDNQIWVCDQK-AWEZNQCLSA-N 2 2 288.439 2.584 50 0 CFAALP Cc1cccn2c(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cnc12 ZINC000188411093 324015020 /nfs/dbraw/zinc/01/50/20/324015020.db2.gz NJDBWIIRYVYXOI-OAHLLOKOSA-N 2 2 295.390 2.504 50 0 CFAALP Cc1cccn2c(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cnc12 ZINC000188411093 324015024 /nfs/dbraw/zinc/01/50/24/324015024.db2.gz NJDBWIIRYVYXOI-OAHLLOKOSA-N 2 2 295.390 2.504 50 0 CFAALP CCCCc1[nH]c(CN(C)C[C@@]2(C)CC[N@H+](C)C2)c[nH+]1 ZINC000952981723 614491166 /nfs/dbraw/zinc/49/11/66/614491166.db2.gz JXPNRIBMVTYTAA-INIZCTEOSA-N 2 2 278.444 2.526 50 0 CFAALP CCCCc1[nH]c(CN(C)C[C@@]2(C)CC[N@@H+](C)C2)c[nH+]1 ZINC000952981723 614491169 /nfs/dbraw/zinc/49/11/69/614491169.db2.gz JXPNRIBMVTYTAA-INIZCTEOSA-N 2 2 278.444 2.526 50 0 CFAALP c1ccc(CCC[N@@H+]2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC000032517871 346305411 /nfs/dbraw/zinc/30/54/11/346305411.db2.gz WVFUKDMILYTKSV-KRWDZBQOSA-N 2 2 258.409 2.789 50 0 CFAALP c1ccc(CCC[N@H+]2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC000032517871 346305416 /nfs/dbraw/zinc/30/54/16/346305416.db2.gz WVFUKDMILYTKSV-KRWDZBQOSA-N 2 2 258.409 2.789 50 0 CFAALP c1ccc(CCC[NH+]2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000032517871 346305419 /nfs/dbraw/zinc/30/54/19/346305419.db2.gz WVFUKDMILYTKSV-KRWDZBQOSA-N 2 2 258.409 2.789 50 0 CFAALP c1ccc(CCC[NH+]2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000032517871 346305422 /nfs/dbraw/zinc/30/54/22/346305422.db2.gz WVFUKDMILYTKSV-KRWDZBQOSA-N 2 2 258.409 2.789 50 0 CFAALP OC1(CC[NH2+]C2CC[NH+](Cc3ccco3)CC2)CCCC1 ZINC000584887083 348727408 /nfs/dbraw/zinc/72/74/08/348727408.db2.gz KNNRRFIXBRJYHX-UHFFFAOYSA-N 2 2 292.423 2.529 50 0 CFAALP Cc1ccc(C[NH+]2C[C@H]3CC[C@@H]2C[N@H+](C)C3)s1 ZINC000091747066 180245526 /nfs/dbraw/zinc/24/55/26/180245526.db2.gz ZSSOFBQJUIDWLI-QWHCGFSZSA-N 2 2 250.411 2.583 50 0 CFAALP Cc1ccc(C[NH+]2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)s1 ZINC000091747066 180245529 /nfs/dbraw/zinc/24/55/29/180245529.db2.gz ZSSOFBQJUIDWLI-QWHCGFSZSA-N 2 2 250.411 2.583 50 0 CFAALP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C[NH+](C)C3)s1 ZINC000091747066 180245530 /nfs/dbraw/zinc/24/55/30/180245530.db2.gz ZSSOFBQJUIDWLI-QWHCGFSZSA-N 2 2 250.411 2.583 50 0 CFAALP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C[NH+](C)C3)s1 ZINC000091747066 180245532 /nfs/dbraw/zinc/24/55/32/180245532.db2.gz ZSSOFBQJUIDWLI-QWHCGFSZSA-N 2 2 250.411 2.583 50 0 CFAALP c1[nH]cc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000092003390 180304147 /nfs/dbraw/zinc/30/41/47/180304147.db2.gz WWFZCGLLWIYDDS-FUHWJXTLSA-N 2 2 296.418 2.506 50 0 CFAALP c1[nH]cc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000092003390 180304148 /nfs/dbraw/zinc/30/41/48/180304148.db2.gz WWFZCGLLWIYDDS-FUHWJXTLSA-N 2 2 296.418 2.506 50 0 CFAALP c1[nH]c(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000092003390 180304150 /nfs/dbraw/zinc/30/41/50/180304150.db2.gz WWFZCGLLWIYDDS-FUHWJXTLSA-N 2 2 296.418 2.506 50 0 CFAALP c1[nH]c(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000092003390 180304152 /nfs/dbraw/zinc/30/41/52/180304152.db2.gz WWFZCGLLWIYDDS-FUHWJXTLSA-N 2 2 296.418 2.506 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000092037699 180310323 /nfs/dbraw/zinc/31/03/23/180310323.db2.gz RICCEBAFVWWMMA-OAHLLOKOSA-N 2 2 299.418 2.823 50 0 CFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000092037699 180310325 /nfs/dbraw/zinc/31/03/25/180310325.db2.gz RICCEBAFVWWMMA-OAHLLOKOSA-N 2 2 299.418 2.823 50 0 CFAALP Cc1[nH]c(C[N@H+](C)C[C@H]2CCN(c3ccccc3)C2)c[nH+]1 ZINC000065398707 373866015 /nfs/dbraw/zinc/86/60/15/373866015.db2.gz AMTWMAAKGKAGMN-OAHLLOKOSA-N 2 2 284.407 2.676 50 0 CFAALP Cc1[nH]c(C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)c[nH+]1 ZINC000065398707 373866020 /nfs/dbraw/zinc/86/60/20/373866020.db2.gz AMTWMAAKGKAGMN-OAHLLOKOSA-N 2 2 284.407 2.676 50 0 CFAALP CCC[NH+]1CCC([NH2+][C@H](c2nccn2C)C(C)C)CC1 ZINC000065430727 373871327 /nfs/dbraw/zinc/87/13/27/373871327.db2.gz PHRBFNYZRWGUOW-HNNXBMFYSA-N 2 2 278.444 2.581 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1sc(C)nc1C)CCC2 ZINC000089702101 374938539 /nfs/dbraw/zinc/93/85/39/374938539.db2.gz XJNWCYRHKBHEKL-CYBMUJFWSA-N 2 2 290.436 2.932 50 0 CFAALP Cc1[nH]c(CN[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH+]c1C ZINC000571582474 383707744 /nfs/dbraw/zinc/70/77/44/383707744.db2.gz RXBOEUSTQFMURB-YOEHRIQHSA-N 2 2 286.423 2.808 50 0 CFAALP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000095098702 375416452 /nfs/dbraw/zinc/41/64/52/375416452.db2.gz FGZGKHUZFAYJGU-OAHLLOKOSA-N 2 2 262.397 2.659 50 0 CFAALP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000095098702 375416454 /nfs/dbraw/zinc/41/64/54/375416454.db2.gz FGZGKHUZFAYJGU-OAHLLOKOSA-N 2 2 262.397 2.659 50 0 CFAALP c1c[nH+]c(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)[nH]1 ZINC000095374588 375422638 /nfs/dbraw/zinc/42/26/38/375422638.db2.gz OVABQMSHRPVFDY-DLBZAZTESA-N 2 2 296.418 2.506 50 0 CFAALP c1c[nH+]c(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000095374588 375422644 /nfs/dbraw/zinc/42/26/44/375422644.db2.gz OVABQMSHRPVFDY-DLBZAZTESA-N 2 2 296.418 2.506 50 0 CFAALP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)CC1 ZINC000097546681 375568785 /nfs/dbraw/zinc/56/87/85/375568785.db2.gz YDEBFNBQEWBOOW-GFCCVEGCSA-N 2 2 256.752 2.792 50 0 CFAALP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC000097546681 375568792 /nfs/dbraw/zinc/56/87/92/375568792.db2.gz YDEBFNBQEWBOOW-GFCCVEGCSA-N 2 2 256.752 2.792 50 0 CFAALP CSc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097713596 375580434 /nfs/dbraw/zinc/58/04/34/375580434.db2.gz QVWMRYBYYPDYDJ-KGLIPLIRSA-N 2 2 262.422 2.735 50 0 CFAALP CSc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097713596 375580440 /nfs/dbraw/zinc/58/04/40/375580440.db2.gz QVWMRYBYYPDYDJ-KGLIPLIRSA-N 2 2 262.422 2.735 50 0 CFAALP COc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000097743216 375582795 /nfs/dbraw/zinc/58/27/95/375582795.db2.gz NLEFNVLFFCGJIG-FUHWJXTLSA-N 2 2 282.387 2.642 50 0 CFAALP COc1ccc2cc(C[N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000097743216 375582800 /nfs/dbraw/zinc/58/28/00/375582800.db2.gz NLEFNVLFFCGJIG-FUHWJXTLSA-N 2 2 282.387 2.642 50 0 CFAALP c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131836893 377765428 /nfs/dbraw/zinc/76/54/28/377765428.db2.gz SQJNXCFMLKRWIE-MRXNPFEDSA-N 2 2 254.333 2.735 50 0 CFAALP c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131836893 377765435 /nfs/dbraw/zinc/76/54/35/377765435.db2.gz SQJNXCFMLKRWIE-MRXNPFEDSA-N 2 2 254.333 2.735 50 0 CFAALP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000188402407 382408381 /nfs/dbraw/zinc/40/83/81/382408381.db2.gz XGTFTGDVLAOFBS-CYBMUJFWSA-N 2 2 261.394 2.918 50 0 CFAALP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000188402407 382408386 /nfs/dbraw/zinc/40/83/86/382408386.db2.gz XGTFTGDVLAOFBS-CYBMUJFWSA-N 2 2 261.394 2.918 50 0 CFAALP CCc1[nH+]ccn1CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000244899389 382994739 /nfs/dbraw/zinc/99/47/39/382994739.db2.gz ZIXSBICEWMIJDM-UHFFFAOYSA-N 2 2 294.402 2.985 50 0 CFAALP CCc1[nH+]ccn1CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000244899389 382994742 /nfs/dbraw/zinc/99/47/42/382994742.db2.gz ZIXSBICEWMIJDM-UHFFFAOYSA-N 2 2 294.402 2.985 50 0 CFAALP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245735415 383029741 /nfs/dbraw/zinc/02/97/41/383029741.db2.gz WPCIPBUKEPRQOK-IJEWVQPXSA-N 2 2 270.380 2.922 50 0 CFAALP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245735415 383029746 /nfs/dbraw/zinc/02/97/46/383029746.db2.gz WPCIPBUKEPRQOK-IJEWVQPXSA-N 2 2 270.380 2.922 50 0 CFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248827526 383294981 /nfs/dbraw/zinc/29/49/81/383294981.db2.gz GREDNBBARQQPKF-HUUCEWRRSA-N 2 2 275.396 2.775 50 0 CFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248827526 383294984 /nfs/dbraw/zinc/29/49/84/383294984.db2.gz GREDNBBARQQPKF-HUUCEWRRSA-N 2 2 275.396 2.775 50 0 CFAALP FCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000521396482 394381043 /nfs/dbraw/zinc/38/10/43/394381043.db2.gz AZTVXWZHMIJCFZ-UHFFFAOYSA-N 2 2 261.344 2.787 50 0 CFAALP Cc1ccc(-c2cccc3c2O[C@H](C[NH3+])C3)c(C)[nH+]1 ZINC000067688628 292030223 /nfs/dbraw/zinc/03/02/23/292030223.db2.gz AYTIWFUHDDSVPZ-ZDUSSCGKSA-N 2 2 254.333 2.628 50 0 CFAALP COc1cccc2cc(C[NH2+]CCCn3cc[nH+]c3)oc21 ZINC000034994706 171923181 /nfs/dbraw/zinc/92/31/81/171923181.db2.gz VNODVPWVZOOZQJ-UHFFFAOYSA-N 2 2 285.347 2.818 50 0 CFAALP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000035180218 172033389 /nfs/dbraw/zinc/03/33/89/172033389.db2.gz KXUAERRANVGPSS-UHFFFAOYSA-N 2 2 268.788 2.532 50 0 CFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037213894 173034438 /nfs/dbraw/zinc/03/44/38/173034438.db2.gz XAXNXLBSMDJJLK-AWEZNQCLSA-N 2 2 288.395 2.552 50 0 CFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037213894 173034440 /nfs/dbraw/zinc/03/44/40/173034440.db2.gz XAXNXLBSMDJJLK-AWEZNQCLSA-N 2 2 288.395 2.552 50 0 CFAALP CC(C)Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000037249239 173061315 /nfs/dbraw/zinc/06/13/15/173061315.db2.gz JFRVRVKUPBJIDG-UHFFFAOYSA-N 2 2 273.380 2.850 50 0 CFAALP O[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000040444276 174264322 /nfs/dbraw/zinc/26/43/22/174264322.db2.gz ZENRVYWDMJQWJZ-GOSISDBHSA-N 2 2 288.435 2.670 50 0 CFAALP Cc1n[nH]cc1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000071819510 176270298 /nfs/dbraw/zinc/27/02/98/176270298.db2.gz KQDGDOUTECGUOS-AWEZNQCLSA-N 2 2 290.436 2.706 50 0 CFAALP Cc1c[nH]c([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000534633599 328332518 /nfs/dbraw/zinc/33/25/18/328332518.db2.gz WLKLOZOIRZIVOA-NSHDSACASA-N 2 2 264.417 2.678 50 0 CFAALP c1cn(CC2(C[NH2+][C@@H]3CCN(c4ccccc4)C3)CC2)c[nH+]1 ZINC000534652475 328337959 /nfs/dbraw/zinc/33/79/59/328337959.db2.gz CQEGDTLBJKFQJW-MRXNPFEDSA-N 2 2 296.418 2.532 50 0 CFAALP Cc1cc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc[nH+]1 ZINC000097032413 185156249 /nfs/dbraw/zinc/15/62/49/185156249.db2.gz VLGBKKLMQQRBPM-UHFFFAOYSA-N 2 2 298.390 2.773 50 0 CFAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nccn2C)cc1 ZINC000086279435 179262925 /nfs/dbraw/zinc/26/29/25/179262925.db2.gz YDPQVJPFZFQMFT-ZDUSSCGKSA-N 2 2 295.390 2.765 50 0 CFAALP Fc1ccc(F)c([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)c1 ZINC000097230954 347708000 /nfs/dbraw/zinc/70/80/00/347708000.db2.gz OJELWRADIROJJS-HNNXBMFYSA-N 2 2 277.318 2.902 50 0 CFAALP Cc1ccn2c(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)cnc2c1 ZINC000089700818 179848708 /nfs/dbraw/zinc/84/87/08/179848708.db2.gz BCXBGERIIHELOS-CQSZACIVSA-N 2 2 295.390 2.506 50 0 CFAALP C[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc3occc3c1)C2 ZINC000091320864 180133958 /nfs/dbraw/zinc/13/39/58/180133958.db2.gz MNSKYDFCFNJKBL-GDBMZVCRSA-N 2 2 270.376 2.959 50 0 CFAALP C[N@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc3occc3c1)C2 ZINC000091320864 180133959 /nfs/dbraw/zinc/13/39/59/180133959.db2.gz MNSKYDFCFNJKBL-GDBMZVCRSA-N 2 2 270.376 2.959 50 0 CFAALP C[NH+]1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc3occc3c1)C2 ZINC000091320864 180133962 /nfs/dbraw/zinc/13/39/62/180133962.db2.gz MNSKYDFCFNJKBL-GDBMZVCRSA-N 2 2 270.376 2.959 50 0 CFAALP C[NH+]1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc3occc3c1)C2 ZINC000091320864 180133963 /nfs/dbraw/zinc/13/39/63/180133963.db2.gz MNSKYDFCFNJKBL-GDBMZVCRSA-N 2 2 270.376 2.959 50 0 CFAALP Cc1[nH+]cnc(NCCC[N@@H+](C)C2CCCC2)c1C ZINC000091664887 180221144 /nfs/dbraw/zinc/22/11/44/180221144.db2.gz CXTGCXOAZBYEFM-UHFFFAOYSA-N 2 2 262.401 2.770 50 0 CFAALP Cc1[nH+]cnc(NCCC[N@H+](C)C2CCCC2)c1C ZINC000091664887 180221145 /nfs/dbraw/zinc/22/11/45/180221145.db2.gz CXTGCXOAZBYEFM-UHFFFAOYSA-N 2 2 262.401 2.770 50 0 CFAALP Cc1[nH+]cnc(NCc2ccccc2C[NH+](C)C)c1C ZINC000091664507 180221352 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/nfs/dbraw/zinc/52/69/42/347526942.db2.gz ANLICJJEOHRKSM-GFCCVEGCSA-N 2 2 287.411 2.571 50 0 CFAALP Cc1n[nH]cc1C[NH2+]C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000097159406 347707057 /nfs/dbraw/zinc/70/70/57/347707057.db2.gz WICSRGSDVYITKC-UHFFFAOYSA-N 2 2 298.434 2.781 50 0 CFAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000584886852 348727110 /nfs/dbraw/zinc/72/71/10/348727110.db2.gz AYLQVRGRSJCGFN-CYBMUJFWSA-N 2 2 297.406 2.580 50 0 CFAALP c1ccc([C@H](C[NH2+]C2CCOCC2)[NH+]2CCCCC2)cc1 ZINC000584891589 348728846 /nfs/dbraw/zinc/72/88/46/348728846.db2.gz PVQSNACZAKJETN-SFHVURJKSA-N 2 2 288.435 2.982 50 0 CFAALP Fc1c[nH+]ccc1N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091585564 180199680 /nfs/dbraw/zinc/19/96/80/180199680.db2.gz PVUMVUAFIGTUQF-ZIAGYGMSSA-N 2 2 275.371 2.531 50 0 CFAALP Fc1c[nH+]ccc1N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091585564 180199682 /nfs/dbraw/zinc/19/96/82/180199682.db2.gz PVUMVUAFIGTUQF-ZIAGYGMSSA-N 2 2 275.371 2.531 50 0 CFAALP Cn1c[nH+]cc1CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000109077213 186242690 /nfs/dbraw/zinc/24/26/90/186242690.db2.gz AYGBJTKJTBRPPA-INIZCTEOSA-N 2 2 290.455 2.554 50 0 CFAALP Cn1c[nH+]cc1CNC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000109077213 186242691 /nfs/dbraw/zinc/24/26/91/186242691.db2.gz AYGBJTKJTBRPPA-INIZCTEOSA-N 2 2 290.455 2.554 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000294656516 199125613 /nfs/dbraw/zinc/12/56/13/199125613.db2.gz CIVQBEGLPDGFIE-SLEUVZQESA-N 2 2 273.380 2.500 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000294656511 199125864 /nfs/dbraw/zinc/12/58/64/199125864.db2.gz CIVQBEGLPDGFIE-LALPHHSUSA-N 2 2 273.380 2.500 50 0 CFAALP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000670469115 541007796 /nfs/dbraw/zinc/00/77/96/541007796.db2.gz SQYLSCCSXCJUFJ-UHFFFAOYSA-N 2 2 291.782 2.959 50 0 CFAALP Cn1c(CCC[NH2+][C@@H]2CCCSC2)[nH+]c2ccccc21 ZINC000183609789 189364322 /nfs/dbraw/zinc/36/43/22/189364322.db2.gz QYSCANGLZXDUFP-CYBMUJFWSA-N 2 2 289.448 2.991 50 0 CFAALP c1ccc(C[NH+]2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000000271913 371574931 /nfs/dbraw/zinc/57/49/31/371574931.db2.gz NNEUOOZOWHIWQD-UHFFFAOYSA-N 2 2 292.386 2.885 50 0 CFAALP CC[NH+](CC)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000004087992 371832262 /nfs/dbraw/zinc/83/22/62/371832262.db2.gz DKGGIJYMLQRUGP-UHFFFAOYSA-N 2 2 250.390 2.662 50 0 CFAALP CCc1ccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000019938838 372211984 /nfs/dbraw/zinc/21/19/84/372211984.db2.gz WDBXJGKOZGBOOD-UHFFFAOYSA-N 2 2 288.435 2.546 50 0 CFAALP C[C@@H](C[NH2+]Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000022032957 372243341 /nfs/dbraw/zinc/24/33/41/372243341.db2.gz NADLSYHUPNECSA-HNNXBMFYSA-N 2 2 254.377 2.955 50 0 CFAALP Cc1ccc(NCCC[NH2+]C2CC[NH+](C(C)C)CC2)[nH+]c1 ZINC000065382808 373861459 /nfs/dbraw/zinc/86/14/59/373861459.db2.gz WWFDYEHQIPPYTP-UHFFFAOYSA-N 3 2 290.455 2.654 50 0 CFAALP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ncc[nH]2)C1 ZINC000067668331 373989716 /nfs/dbraw/zinc/98/97/16/373989716.db2.gz BANFEIXULWZFHD-HNNXBMFYSA-N 2 2 298.434 2.931 50 0 CFAALP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ncc[nH]2)C1 ZINC000067668331 373989721 /nfs/dbraw/zinc/98/97/21/373989721.db2.gz BANFEIXULWZFHD-HNNXBMFYSA-N 2 2 298.434 2.931 50 0 CFAALP Cc1cc(Nc2ccc([NH2+]C3CCOCC3)cc2)nc(N)[nH+]1 ZINC000069528459 374073069 /nfs/dbraw/zinc/07/30/69/374073069.db2.gz FEIKMTTUCMORJX-UHFFFAOYSA-N 2 2 299.378 2.702 50 0 CFAALP CSc1nc(N2CCC(c3[nH]cc[nH+]3)CC2)cc(C)[nH+]1 ZINC000072476119 374255866 /nfs/dbraw/zinc/25/58/66/374255866.db2.gz NFLPELAMDZCUEA-UHFFFAOYSA-N 2 2 289.408 2.614 50 0 CFAALP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)n1-c1ccccc1 ZINC000084048209 374760316 /nfs/dbraw/zinc/76/03/16/374760316.db2.gz MHDUTSXATREFOA-MSOLQXFVSA-N 2 2 299.418 2.821 50 0 CFAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000088737847 374860923 /nfs/dbraw/zinc/86/09/23/374860923.db2.gz XDMCTKREUFRIEM-WBVHZDCISA-N 2 2 290.451 2.505 50 0 CFAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000088737847 374860924 /nfs/dbraw/zinc/86/09/24/374860924.db2.gz XDMCTKREUFRIEM-WBVHZDCISA-N 2 2 290.451 2.505 50 0 CFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000090003985 374984738 /nfs/dbraw/zinc/98/47/38/374984738.db2.gz DMFDDORSJNNVBX-CQSZACIVSA-N 2 2 289.448 2.979 50 0 CFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000090003985 374984742 /nfs/dbraw/zinc/98/47/42/374984742.db2.gz DMFDDORSJNNVBX-CQSZACIVSA-N 2 2 289.448 2.979 50 0 CFAALP COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095972682 375464375 /nfs/dbraw/zinc/46/43/75/375464375.db2.gz APVUGNCZZPYUEI-CQSZACIVSA-N 2 2 271.364 2.798 50 0 CFAALP COc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095972682 375464377 /nfs/dbraw/zinc/46/43/77/375464377.db2.gz APVUGNCZZPYUEI-CQSZACIVSA-N 2 2 271.364 2.798 50 0 CFAALP Fc1c[nH+]ccc1N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000096138736 375470685 /nfs/dbraw/zinc/47/06/85/375470685.db2.gz RQEOTOKPKBUZAQ-AWEZNQCLSA-N 2 2 277.387 2.923 50 0 CFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415406 375437717 /nfs/dbraw/zinc/43/77/17/375437717.db2.gz MJDBEOQEUYCCDO-LLVKDONJSA-N 2 2 276.409 2.785 50 0 CFAALP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095420551 375440446 /nfs/dbraw/zinc/44/04/46/375440446.db2.gz UQYILAFGXZGSKJ-KDOFPFPSSA-N 2 2 298.434 2.863 50 0 CFAALP COCC[N@H+](C)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000095435232 375447817 /nfs/dbraw/zinc/44/78/17/375447817.db2.gz SHMJXYAHWJZOEJ-QGZVFWFLSA-N 2 2 290.451 2.868 50 0 CFAALP COCC[N@@H+](C)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000095435232 375447821 /nfs/dbraw/zinc/44/78/21/375447821.db2.gz SHMJXYAHWJZOEJ-QGZVFWFLSA-N 2 2 290.451 2.868 50 0 CFAALP Cn1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000097102368 375518053 /nfs/dbraw/zinc/51/80/53/375518053.db2.gz JDWCQNMWYIXXFH-SFHVURJKSA-N 2 2 298.434 2.564 50 0 CFAALP Cn1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000097102368 375518059 /nfs/dbraw/zinc/51/80/59/375518059.db2.gz JDWCQNMWYIXXFH-SFHVURJKSA-N 2 2 298.434 2.564 50 0 CFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000097377043 375554680 /nfs/dbraw/zinc/55/46/80/375554680.db2.gz BCKODEGBTNUOIX-ZDUSSCGKSA-N 2 2 275.421 2.936 50 0 CFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000097377043 375554689 /nfs/dbraw/zinc/55/46/89/375554689.db2.gz BCKODEGBTNUOIX-ZDUSSCGKSA-N 2 2 275.421 2.936 50 0 CFAALP C[C@@H](C[NH2+]Cc1nc(-c2ccccc2)c[nH]1)Cn1cc[nH+]c1 ZINC000170085174 379116407 /nfs/dbraw/zinc/11/64/07/379116407.db2.gz IKDNMCUJKJNFTQ-AWEZNQCLSA-N 2 2 295.390 2.699 50 0 CFAALP Cc1cc(NC(=O)C[NH+](C)C)ccc1Oc1cc[nH+]cc1 ZINC000192592043 382710444 /nfs/dbraw/zinc/71/04/44/382710444.db2.gz UDABJKFKWOQWBV-UHFFFAOYSA-N 2 2 285.347 2.682 50 0 CFAALP Cc1c[nH+]c(C2C[NH+](Cc3ccccn3)C2)n1CC1CC1 ZINC000575553684 382773755 /nfs/dbraw/zinc/77/37/55/382773755.db2.gz DUPCVOQQJHJYQB-UHFFFAOYSA-N 2 2 282.391 2.596 50 0 CFAALP CC(C)c1nc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)co1 ZINC000216516013 382783735 /nfs/dbraw/zinc/78/37/35/382783735.db2.gz PKDIXMHGXRRSJY-UHFFFAOYSA-N 2 2 288.395 2.907 50 0 CFAALP CCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000252481597 383410932 /nfs/dbraw/zinc/41/09/32/383410932.db2.gz COYFQBKHCVHTAC-CQSZACIVSA-N 2 2 270.380 2.747 50 0 CFAALP CCc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000252481597 383410933 /nfs/dbraw/zinc/41/09/33/383410933.db2.gz COYFQBKHCVHTAC-CQSZACIVSA-N 2 2 270.380 2.747 50 0 CFAALP c1cn(CCC[N@@H+]2CCO[C@H](C3CCCCC3)C2)c[nH+]1 ZINC000253427087 383458492 /nfs/dbraw/zinc/45/84/92/383458492.db2.gz DDJHDHAJTHHMTI-INIZCTEOSA-N 2 2 277.412 2.554 50 0 CFAALP c1cn(CCC[N@H+]2CCO[C@H](C3CCCCC3)C2)c[nH+]1 ZINC000253427087 383458498 /nfs/dbraw/zinc/45/84/98/383458498.db2.gz DDJHDHAJTHHMTI-INIZCTEOSA-N 2 2 277.412 2.554 50 0 CFAALP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@H]43)cc2)c[nH+]1 ZINC000245338712 131085520 /nfs/dbraw/zinc/08/55/20/131085520.db2.gz NZJMBOSCGSHZHF-IAGOWNOFSA-N 2 2 283.375 2.626 50 0 CFAALP c1cn(-c2ccc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)cc2)c[nH+]1 ZINC000245338712 131085521 /nfs/dbraw/zinc/08/55/21/131085521.db2.gz NZJMBOSCGSHZHF-IAGOWNOFSA-N 2 2 283.375 2.626 50 0 CFAALP CC(C)c1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000002510432 169797566 /nfs/dbraw/zinc/79/75/66/169797566.db2.gz FXQBDTOYQSXFQF-UHFFFAOYSA-N 2 2 276.424 2.622 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)c2ccccc12 ZINC000045946168 175387846 /nfs/dbraw/zinc/38/78/46/175387846.db2.gz KOUONDLZJSAEFK-OAHLLOKOSA-N 2 2 271.408 2.752 50 0 CFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)c2ccccc12 ZINC000045946168 175387847 /nfs/dbraw/zinc/38/78/47/175387847.db2.gz KOUONDLZJSAEFK-OAHLLOKOSA-N 2 2 271.408 2.752 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccncc1)CCC2 ZINC000095402203 274824287 /nfs/dbraw/zinc/82/42/87/274824287.db2.gz KEAKJMULJFTVFV-UKRRQHHQSA-N 2 2 270.380 2.815 50 0 CFAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000186803662 278311580 /nfs/dbraw/zinc/31/15/80/278311580.db2.gz URLDGLUOTOXKON-BZZMCLGOSA-N 2 2 288.435 2.715 50 0 CFAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000186803662 278311581 /nfs/dbraw/zinc/31/15/81/278311581.db2.gz URLDGLUOTOXKON-BZZMCLGOSA-N 2 2 288.435 2.715 50 0 CFAALP C[C@H](C1CCN(c2cc[nH+]cc2F)CC1)[NH+]1CCCC1 ZINC000095523728 279243626 /nfs/dbraw/zinc/24/36/26/279243626.db2.gz CNHHYBULFVDCSX-CYBMUJFWSA-N 2 2 277.387 2.921 50 0 CFAALP Cc1ccc(C)c(N2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000023282864 618368237 /nfs/dbraw/zinc/36/82/37/618368237.db2.gz CMGQOEMGDYKWBL-UHFFFAOYSA-N 2 2 287.451 2.520 50 0 CFAALP CCC[NH+]1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000097033397 185156052 /nfs/dbraw/zinc/15/60/52/185156052.db2.gz UZBRWJCVJDXTCU-MRXNPFEDSA-N 2 2 296.842 2.837 50 0 CFAALP CCSC[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000584890473 348729033 /nfs/dbraw/zinc/72/90/33/348729033.db2.gz ORVNGVPJPRGHMC-LBPRGKRZSA-N 2 2 263.410 2.608 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCSCC1 ZINC000585093620 540462092 /nfs/dbraw/zinc/46/20/92/540462092.db2.gz OTEVTGFFNBMIMD-AWEZNQCLSA-N 2 2 250.411 2.808 50 0 CFAALP CCCCc1[nH]c(CN(C)C[C@H]2CC[N@H+](CC)C2)c[nH+]1 ZINC000670438675 540995389 /nfs/dbraw/zinc/99/53/89/540995389.db2.gz FWNTZYPFXJHVTH-CQSZACIVSA-N 2 2 278.444 2.526 50 0 CFAALP CCCCc1[nH]c(CN(C)C[C@H]2CC[N@@H+](CC)C2)c[nH+]1 ZINC000670438675 540995392 /nfs/dbraw/zinc/99/53/92/540995392.db2.gz FWNTZYPFXJHVTH-CQSZACIVSA-N 2 2 278.444 2.526 50 0 CFAALP Cc1nc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)cs1 ZINC000670451732 540999346 /nfs/dbraw/zinc/99/93/46/540999346.db2.gz TVTIQGHAFPCGNG-CQSZACIVSA-N 2 2 290.436 2.869 50 0 CFAALP Cc1nc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)cs1 ZINC000670451732 540999347 /nfs/dbraw/zinc/99/93/47/540999347.db2.gz TVTIQGHAFPCGNG-CQSZACIVSA-N 2 2 290.436 2.869 50 0 CFAALP CC[C@@H](C)Cc1nc(C[NH+]2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000670465099 541005869 /nfs/dbraw/zinc/00/58/69/541005869.db2.gz JMSSKMDTFRYAAY-CQSZACIVSA-N 2 2 299.422 2.847 50 0 CFAALP Cn1cc[nH+]c1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000670470885 541009728 /nfs/dbraw/zinc/00/97/28/541009728.db2.gz LCHTYHDDLCTSQZ-INIZCTEOSA-N 2 2 269.392 2.842 50 0 CFAALP Cn1cc[nH+]c1CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000670470885 541009732 /nfs/dbraw/zinc/00/97/32/541009732.db2.gz LCHTYHDDLCTSQZ-INIZCTEOSA-N 2 2 269.392 2.842 50 0 CFAALP C[NH+]1CCC([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000000279568 371576689 /nfs/dbraw/zinc/57/66/89/371576689.db2.gz XLUPAIBNARAKKD-UHFFFAOYSA-N 2 2 293.842 2.556 50 0 CFAALP Brc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000034778552 372514033 /nfs/dbraw/zinc/51/40/33/372514033.db2.gz PASSYCVZGDJDTK-UHFFFAOYSA-N 2 2 294.196 2.826 50 0 CFAALP c1ccc(N2CC[NH+](CCC[NH2+]C3CCCC3)CC2)cc1 ZINC000047852778 373121788 /nfs/dbraw/zinc/12/17/88/373121788.db2.gz YXOJYJYIKKXFLQ-UHFFFAOYSA-N 2 2 287.451 2.731 50 0 CFAALP CC[N@@H+](Cc1ccc(C(C)=O)cc1)C[C@H]1CC[NH+](C)C1 ZINC000065375409 373860463 /nfs/dbraw/zinc/86/04/63/373860463.db2.gz QTEHUXFSJCASEI-INIZCTEOSA-N 2 2 274.408 2.663 50 0 CFAALP CC[N@H+](Cc1ccc(C(C)=O)cc1)C[C@H]1CC[NH+](C)C1 ZINC000065375409 373860471 /nfs/dbraw/zinc/86/04/71/373860471.db2.gz QTEHUXFSJCASEI-INIZCTEOSA-N 2 2 274.408 2.663 50 0 CFAALP CC[NH+](Cc1ccc(C(C)=O)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000065375409 373860480 /nfs/dbraw/zinc/86/04/80/373860480.db2.gz QTEHUXFSJCASEI-INIZCTEOSA-N 2 2 274.408 2.663 50 0 CFAALP CC[NH+](Cc1ccc(C(C)=O)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000065375409 373860486 /nfs/dbraw/zinc/86/04/86/373860486.db2.gz QTEHUXFSJCASEI-INIZCTEOSA-N 2 2 274.408 2.663 50 0 CFAALP Cc1ccccc1CSCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000067817391 374004878 /nfs/dbraw/zinc/00/48/78/374004878.db2.gz LZLYOICKMKAPCO-OAHLLOKOSA-N 2 2 264.438 2.570 50 0 CFAALP FC(F)(F)CC[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000067649861 373988042 /nfs/dbraw/zinc/98/80/42/373988042.db2.gz KYFZXHCXGSZBBK-NSHDSACASA-N 2 2 261.291 2.548 50 0 CFAALP FC(F)(F)CC[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000067649861 373988049 /nfs/dbraw/zinc/98/80/49/373988049.db2.gz KYFZXHCXGSZBBK-NSHDSACASA-N 2 2 261.291 2.548 50 0 CFAALP C[C@@H](c1[nH+]ccn1CCC[NH+]1CCOCC1)c1ccccc1 ZINC000067675771 373991550 /nfs/dbraw/zinc/99/15/50/373991550.db2.gz COQUHJNKCXDLGY-MRXNPFEDSA-N 2 2 299.418 2.757 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000071837266 374227257 /nfs/dbraw/zinc/22/72/57/374227257.db2.gz LHQWWJVTAPHMMH-KRWDZBQOSA-N 2 2 286.423 2.727 50 0 CFAALP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000078950270 374576788 /nfs/dbraw/zinc/57/67/88/374576788.db2.gz MCELIRJKBGHNNR-IAGOWNOFSA-N 2 2 288.435 2.710 50 0 CFAALP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000078950270 374576796 /nfs/dbraw/zinc/57/67/96/374576796.db2.gz MCELIRJKBGHNNR-IAGOWNOFSA-N 2 2 288.435 2.710 50 0 CFAALP C[C@@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000080338426 374651330 /nfs/dbraw/zinc/65/13/30/374651330.db2.gz YNSJKKNVCACIEU-GDBMZVCRSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000080338426 374651334 /nfs/dbraw/zinc/65/13/34/374651334.db2.gz YNSJKKNVCACIEU-GDBMZVCRSA-N 2 2 284.407 2.552 50 0 CFAALP CCc1nc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cs1 ZINC000083830328 374757058 /nfs/dbraw/zinc/75/70/58/374757058.db2.gz YIHGFOGZAIWWJI-GFCCVEGCSA-N 2 2 290.436 2.878 50 0 CFAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(F)(F)C(F)F)C1 ZINC000082126036 374728880 /nfs/dbraw/zinc/72/88/80/374728880.db2.gz HOKGVTQSOWWBDJ-JTQLQIEISA-N 2 2 293.308 2.890 50 0 CFAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(F)(F)C(F)F)C1 ZINC000082126036 374728883 /nfs/dbraw/zinc/72/88/83/374728883.db2.gz HOKGVTQSOWWBDJ-JTQLQIEISA-N 2 2 293.308 2.890 50 0 CFAALP C[C@H]1C[C@@H]([NH2+]C2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000084686469 374787523 /nfs/dbraw/zinc/78/75/23/374787523.db2.gz ZYVVPHVLBUQSDH-FQXVJMBOSA-N 2 2 288.435 2.543 50 0 CFAALP C[C@H]1C[C@@H]([NH2+]C2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000084686469 374787531 /nfs/dbraw/zinc/78/75/31/374787531.db2.gz ZYVVPHVLBUQSDH-FQXVJMBOSA-N 2 2 288.435 2.543 50 0 CFAALP CC(C)c1csc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC000097243957 375545082 /nfs/dbraw/zinc/54/50/82/375545082.db2.gz NXZGSCRNCPRVQI-NSHDSACASA-N 2 2 253.415 2.580 50 0 CFAALP CC(C)c1csc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC000097243957 375545087 /nfs/dbraw/zinc/54/50/87/375545087.db2.gz NXZGSCRNCPRVQI-NSHDSACASA-N 2 2 253.415 2.580 50 0 CFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000097139202 375527864 /nfs/dbraw/zinc/52/78/64/375527864.db2.gz TUVVMUPIHSCSPM-CYBMUJFWSA-N 2 2 275.421 2.936 50 0 CFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000097139202 375527872 /nfs/dbraw/zinc/52/78/72/375527872.db2.gz TUVVMUPIHSCSPM-CYBMUJFWSA-N 2 2 275.421 2.936 50 0 CFAALP CCCn1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000097711771 375579053 /nfs/dbraw/zinc/57/90/53/375579053.db2.gz PZXCMGHPSLMROX-MRXNPFEDSA-N 2 2 278.444 2.518 50 0 CFAALP CCCn1ncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000097711771 375579055 /nfs/dbraw/zinc/57/90/55/375579055.db2.gz PZXCMGHPSLMROX-MRXNPFEDSA-N 2 2 278.444 2.518 50 0 CFAALP Cc1cc[nH+]cc1N1CC[NH+](CCCCCF)CC1 ZINC000330031927 378520127 /nfs/dbraw/zinc/52/01/27/378520127.db2.gz GBNKFQYSYGGYFX-UHFFFAOYSA-N 2 2 265.376 2.652 50 0 CFAALP CCn1c2ccc(C)cc2[nH+]c1NCc1c[nH+]cn1C ZINC000159027428 378682029 /nfs/dbraw/zinc/68/20/29/378682029.db2.gz CUPSCAMJCKZNDC-UHFFFAOYSA-N 2 2 269.352 2.710 50 0 CFAALP Cc1cccn2c(C[NH2+][C@@H]3CCCSC3)c[nH+]c12 ZINC000336617304 380555725 /nfs/dbraw/zinc/55/57/25/380555725.db2.gz ZNUGUMLOINIPJW-GFCCVEGCSA-N 2 2 261.394 2.628 50 0 CFAALP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000188402429 382407991 /nfs/dbraw/zinc/40/79/91/382407991.db2.gz XGTFTGDVLAOFBS-ZDUSSCGKSA-N 2 2 261.394 2.918 50 0 CFAALP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000188402429 382407994 /nfs/dbraw/zinc/40/79/94/382407994.db2.gz XGTFTGDVLAOFBS-ZDUSSCGKSA-N 2 2 261.394 2.918 50 0 CFAALP Cc1ccsc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188409379 382409811 /nfs/dbraw/zinc/40/98/11/382409811.db2.gz AOLIHXBLYQZVGF-CYBMUJFWSA-N 2 2 261.394 2.918 50 0 CFAALP Cc1ccsc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188409379 382409814 /nfs/dbraw/zinc/40/98/14/382409814.db2.gz AOLIHXBLYQZVGF-CYBMUJFWSA-N 2 2 261.394 2.918 50 0 CFAALP Cc1cccn2cc(C[NH2+]C3CC[NH+](C(C)C)CC3)nc12 ZINC000236604231 382897149 /nfs/dbraw/zinc/89/71/49/382897149.db2.gz MAWMPODNKYKWMA-UHFFFAOYSA-N 2 2 286.423 2.605 50 0 CFAALP Cc1ccc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000240825132 382982543 /nfs/dbraw/zinc/98/25/43/382982543.db2.gz QNCYXCKLHKLZIM-QGZVFWFLSA-N 2 2 287.451 2.601 50 0 CFAALP Cc1ccc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000240825132 382982545 /nfs/dbraw/zinc/98/25/45/382982545.db2.gz QNCYXCKLHKLZIM-QGZVFWFLSA-N 2 2 287.451 2.601 50 0 CFAALP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000241316690 382983696 /nfs/dbraw/zinc/98/36/96/382983696.db2.gz LUBNCXLQDUSJGG-PBHICJAKSA-N 2 2 285.391 2.975 50 0 CFAALP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCn2cc[nH+]c2)c1 ZINC000241316690 382983697 /nfs/dbraw/zinc/98/36/97/382983697.db2.gz LUBNCXLQDUSJGG-PBHICJAKSA-N 2 2 285.391 2.975 50 0 CFAALP C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@H]1n1cc[nH+]c1 ZINC000245592636 393818787 /nfs/dbraw/zinc/81/87/87/393818787.db2.gz KXUQRNXNKQXREX-GDBMZVCRSA-N 2 2 295.390 2.614 50 0 CFAALP C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@H]1n1cc[nH+]c1 ZINC000245592636 393818788 /nfs/dbraw/zinc/81/87/88/393818788.db2.gz KXUQRNXNKQXREX-GDBMZVCRSA-N 2 2 295.390 2.614 50 0 CFAALP COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000004745787 170010277 /nfs/dbraw/zinc/01/02/77/170010277.db2.gz YNXTWFOFULRZKP-UHFFFAOYSA-N 2 2 274.408 2.755 50 0 CFAALP Cn1cc(C[NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000004818121 170022303 /nfs/dbraw/zinc/02/23/03/170022303.db2.gz WEKVCVUXLLKFCL-UHFFFAOYSA-N 2 2 268.364 2.555 50 0 CFAALP C[NH+](C)CC[NH2+]CCCSc1ccc(Cl)cc1 ZINC000020418775 171184058 /nfs/dbraw/zinc/18/40/58/171184058.db2.gz FBVQDVVRRXDLBU-UHFFFAOYSA-N 2 2 272.845 2.973 50 0 CFAALP Cc1[nH+]c[nH]c1CN[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000020920714 171280048 /nfs/dbraw/zinc/28/00/48/171280048.db2.gz KFZOIRWSZBUNCG-INIZCTEOSA-N 2 2 290.455 2.852 50 0 CFAALP Cc1[nH+]c[nH]c1CN[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000020920714 171280050 /nfs/dbraw/zinc/28/00/50/171280050.db2.gz KFZOIRWSZBUNCG-INIZCTEOSA-N 2 2 290.455 2.852 50 0 CFAALP C[N@H+](CCCc1[nH]c2ccccc2[nH+]1)C1CCOCC1 ZINC000020999435 171284059 /nfs/dbraw/zinc/28/40/59/171284059.db2.gz SLZPTEGODWTBMH-UHFFFAOYSA-N 2 2 273.380 2.606 50 0 CFAALP C[N@@H+](CCCc1[nH]c2ccccc2[nH+]1)C1CCOCC1 ZINC000020999435 171284061 /nfs/dbraw/zinc/28/40/61/171284061.db2.gz SLZPTEGODWTBMH-UHFFFAOYSA-N 2 2 273.380 2.606 50 0 CFAALP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000043323962 175006291 /nfs/dbraw/zinc/00/62/91/175006291.db2.gz HQEBPBKZVOVLEI-GFCCVEGCSA-N 2 2 258.287 2.547 50 0 CFAALP CC(C)n1cc(C[NH2+]CC[NH+](C)C)c2ccccc21 ZINC000045946176 175387825 /nfs/dbraw/zinc/38/78/25/175387825.db2.gz LKOWYQMHQRDYNV-UHFFFAOYSA-N 2 2 259.397 2.873 50 0 CFAALP Cc1[nH]cc(-c2ccc3c4c(ccc3c2)O[C@H](C[NH3+])C4)[nH+]1 ZINC000067948108 175803727 /nfs/dbraw/zinc/80/37/27/175803727.db2.gz IBZWXEUAGCKXDN-ZDUSSCGKSA-N 2 2 279.343 2.801 50 0 CFAALP c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)[nH+]c1 ZINC000078393949 177337092 /nfs/dbraw/zinc/33/70/92/177337092.db2.gz UXFQAYJYASTLTO-UHFFFAOYSA-N 2 2 283.375 2.526 50 0 CFAALP C[NH2+]CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000057364352 277268478 /nfs/dbraw/zinc/26/84/78/277268478.db2.gz INSAIOLJPOJTMJ-UHFFFAOYSA-N 2 2 277.195 2.701 50 0 CFAALP CC(C)=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000095968975 277324538 /nfs/dbraw/zinc/32/45/38/277324538.db2.gz OHKPOXLHGKWAGQ-ROUUACIJSA-N 3 2 293.499 2.879 50 0 CFAALP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000453193470 298921132 /nfs/dbraw/zinc/92/11/32/298921132.db2.gz IEDVWSPPQDVXMG-VKJFTORMSA-N 2 2 298.434 2.689 50 0 CFAALP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000195573491 324109361 /nfs/dbraw/zinc/10/93/61/324109361.db2.gz QUTHFQTYLLSWOJ-QGZVFWFLSA-N 2 2 298.390 2.506 50 0 CFAALP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000195573491 324109366 /nfs/dbraw/zinc/10/93/66/324109366.db2.gz QUTHFQTYLLSWOJ-QGZVFWFLSA-N 2 2 298.390 2.506 50 0 CFAALP C[C@H](Cc1ccsc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000096477185 534156342 /nfs/dbraw/zinc/15/63/42/534156342.db2.gz WDSJZQUNPNELRW-NEPJUHHUSA-N 2 2 252.427 2.751 50 0 CFAALP C[C@H](Cc1ccsc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000096477185 534156346 /nfs/dbraw/zinc/15/63/46/534156346.db2.gz WDSJZQUNPNELRW-NEPJUHHUSA-N 2 2 252.427 2.751 50 0 CFAALP CC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000000757602 528986368 /nfs/dbraw/zinc/98/63/68/528986368.db2.gz QYBRNCPWJKAJCK-UHFFFAOYSA-N 2 2 252.789 2.914 50 0 CFAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000216044197 570304987 /nfs/dbraw/zinc/30/49/87/570304987.db2.gz NLOZKOKGQJHPAA-CYBMUJFWSA-N 2 2 258.390 2.948 50 0 CFAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000216044197 570304990 /nfs/dbraw/zinc/30/49/90/570304990.db2.gz NLOZKOKGQJHPAA-CYBMUJFWSA-N 2 2 258.390 2.948 50 0 CFAALP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C)o3)C2)C1 ZINC000012028268 626244339 /nfs/dbraw/zinc/24/43/39/626244339.db2.gz YGWJXWLALSEMBT-KRWDZBQOSA-N 2 2 292.423 2.522 50 0 CFAALP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C)o3)C2)C1 ZINC000012028268 626244340 /nfs/dbraw/zinc/24/43/40/626244340.db2.gz YGWJXWLALSEMBT-KRWDZBQOSA-N 2 2 292.423 2.522 50 0 CFAALP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000012028268 626244341 /nfs/dbraw/zinc/24/43/41/626244341.db2.gz YGWJXWLALSEMBT-KRWDZBQOSA-N 2 2 292.423 2.522 50 0 CFAALP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C)o3)C2)C1 ZINC000012028268 626244342 /nfs/dbraw/zinc/24/43/42/626244342.db2.gz YGWJXWLALSEMBT-KRWDZBQOSA-N 2 2 292.423 2.522 50 0 CFAALP Cc1nnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000096006410 185063400 /nfs/dbraw/zinc/06/34/00/185063400.db2.gz AGBWMKSQMAIXSX-NSHDSACASA-N 2 2 297.362 2.723 50 0 CFAALP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000225362998 282243907 /nfs/dbraw/zinc/24/39/07/282243907.db2.gz QWODRMFPDPNWKV-KSSFIOAISA-N 2 2 298.434 2.882 50 0 CFAALP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000225362998 282243910 /nfs/dbraw/zinc/24/39/10/282243910.db2.gz QWODRMFPDPNWKV-KSSFIOAISA-N 2 2 298.434 2.882 50 0 CFAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ncc[nH]2)cc1F ZINC000080374502 347356276 /nfs/dbraw/zinc/35/62/76/347356276.db2.gz NWAWEXXOOYZTSI-NSHDSACASA-N 2 2 299.353 2.894 50 0 CFAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ncc[nH]2)cc1 ZINC000086279296 179262678 /nfs/dbraw/zinc/26/26/78/179262678.db2.gz BYBXZPGPYJVCCX-LBPRGKRZSA-N 2 2 281.363 2.755 50 0 CFAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)C2 ZINC000136386996 347910240 /nfs/dbraw/zinc/91/02/40/347910240.db2.gz BTHDWDVURAJBNZ-XJKSGUPXSA-N 2 2 299.418 2.823 50 0 CFAALP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccs1 ZINC000091892423 180281093 /nfs/dbraw/zinc/28/10/93/180281093.db2.gz XRLDQCIAEZQNHX-OLZOCXBDSA-N 2 2 250.411 2.807 50 0 CFAALP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccs1 ZINC000091892423 180281096 /nfs/dbraw/zinc/28/10/96/180281096.db2.gz XRLDQCIAEZQNHX-OLZOCXBDSA-N 2 2 250.411 2.807 50 0 CFAALP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000091892423 180281097 /nfs/dbraw/zinc/28/10/97/180281097.db2.gz XRLDQCIAEZQNHX-OLZOCXBDSA-N 2 2 250.411 2.807 50 0 CFAALP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000091892423 180281100 /nfs/dbraw/zinc/28/11/00/180281100.db2.gz XRLDQCIAEZQNHX-OLZOCXBDSA-N 2 2 250.411 2.807 50 0 CFAALP Cc1ccc2[nH]c(C[NH2+]CCCn3cc[nH+]c3)cc(=O)c2c1 ZINC000092001807 180303567 /nfs/dbraw/zinc/30/35/67/180303567.db2.gz WZQGYSWXCRURTP-UHFFFAOYSA-N 2 2 296.374 2.625 50 0 CFAALP Cc1cccc(N2CCC[N@H+](Cc3cscn3)CC2)[nH+]1 ZINC000157382386 188314110 /nfs/dbraw/zinc/31/41/10/188314110.db2.gz HSQRHGKJQXCUEI-UHFFFAOYSA-N 2 2 288.420 2.559 50 0 CFAALP Cc1cccc(N2CCC[N@@H+](Cc3cscn3)CC2)[nH+]1 ZINC000157382386 188314111 /nfs/dbraw/zinc/31/41/11/188314111.db2.gz HSQRHGKJQXCUEI-UHFFFAOYSA-N 2 2 288.420 2.559 50 0 CFAALP CCOCCC[N@@H+]1CC[C@H](Nc2cccc[nH+]2)[C@H](C)C1 ZINC000084801270 540209921 /nfs/dbraw/zinc/20/99/21/540209921.db2.gz MZIUZDABHUDNKE-CABCVRRESA-N 2 2 277.412 2.631 50 0 CFAALP CCOCCC[N@H+]1CC[C@H](Nc2cccc[nH+]2)[C@H](C)C1 ZINC000084801270 540209922 /nfs/dbraw/zinc/20/99/22/540209922.db2.gz MZIUZDABHUDNKE-CABCVRRESA-N 2 2 277.412 2.631 50 0 CFAALP C[N@H+](Cc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000000237375 371564390 /nfs/dbraw/zinc/56/43/90/371564390.db2.gz LPWKXZCPKXYWEJ-UHFFFAOYSA-N 2 2 297.240 2.975 50 0 CFAALP C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000000237375 371564393 /nfs/dbraw/zinc/56/43/93/371564393.db2.gz LPWKXZCPKXYWEJ-UHFFFAOYSA-N 2 2 297.240 2.975 50 0 CFAALP CCC[NH+]1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000000277266 371577011 /nfs/dbraw/zinc/57/70/11/371577011.db2.gz FNHUIWGSWSULEM-UHFFFAOYSA-N 2 2 250.361 2.790 50 0 CFAALP Cc1ccccc1C[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC000002464076 371728053 /nfs/dbraw/zinc/72/80/53/371728053.db2.gz DMLQEPMGSWFZQX-UHFFFAOYSA-N 3 2 291.483 2.700 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(SC)cc1 ZINC000022935925 372249009 /nfs/dbraw/zinc/24/90/09/372249009.db2.gz JNQOWQSPUFWFHF-CQSZACIVSA-N 2 2 264.438 2.982 50 0 CFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(SC)cc1 ZINC000022935925 372249012 /nfs/dbraw/zinc/24/90/12/372249012.db2.gz JNQOWQSPUFWFHF-CQSZACIVSA-N 2 2 264.438 2.982 50 0 CFAALP Cn1cc[nH+]c1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000067818557 374006767 /nfs/dbraw/zinc/00/67/67/374006767.db2.gz HSRLUKQEGMZDAK-HNNXBMFYSA-N 2 2 285.391 2.867 50 0 CFAALP Cc1cc2c(c(-c3ccc(C)[nH+]c3C)c1)O[C@@H](C[NH3+])C2 ZINC000067842202 374007157 /nfs/dbraw/zinc/00/71/57/374007157.db2.gz PMHKIGMZWZJHPV-CQSZACIVSA-N 2 2 268.360 2.936 50 0 CFAALP CCC[C@H](C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC000067713273 373994093 /nfs/dbraw/zinc/99/40/93/373994093.db2.gz CWXCBIFNMBGORV-CQSZACIVSA-N 3 2 269.477 2.616 50 0 CFAALP Cc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)s1 ZINC000084205549 374767864 /nfs/dbraw/zinc/76/78/64/374767864.db2.gz WMBSDTQCSJZMNG-GFCCVEGCSA-N 2 2 261.394 2.920 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3c1OCO3)CCC2 ZINC000084257811 374772364 /nfs/dbraw/zinc/77/23/64/374772364.db2.gz HCPJWIJRMRNHMK-AWEZNQCLSA-N 2 2 299.374 2.587 50 0 CFAALP CCc1cc(NCCC[N@H+](C)C2CCCC2)nc[nH+]1 ZINC000095355913 375417289 /nfs/dbraw/zinc/41/72/89/375417289.db2.gz WUKLHIBEOCCLKO-UHFFFAOYSA-N 2 2 262.401 2.715 50 0 CFAALP CCc1cc(NCCC[N@@H+](C)C2CCCC2)nc[nH+]1 ZINC000095355913 375417296 /nfs/dbraw/zinc/41/72/96/375417296.db2.gz WUKLHIBEOCCLKO-UHFFFAOYSA-N 2 2 262.401 2.715 50 0 CFAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000097142207 375528798 /nfs/dbraw/zinc/52/87/98/375528798.db2.gz PTLWJGYBBPKNQV-QAPCUYQASA-N 2 2 281.403 2.692 50 0 CFAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000097142207 375528804 /nfs/dbraw/zinc/52/88/04/375528804.db2.gz PTLWJGYBBPKNQV-QAPCUYQASA-N 2 2 281.403 2.692 50 0 CFAALP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129486882 377434014 /nfs/dbraw/zinc/43/40/14/377434014.db2.gz OTLSLQGKRZCMHJ-QJPTWQEYSA-N 2 2 264.335 2.791 50 0 CFAALP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129486882 377434018 /nfs/dbraw/zinc/43/40/18/377434018.db2.gz OTLSLQGKRZCMHJ-QJPTWQEYSA-N 2 2 264.335 2.791 50 0 CFAALP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163760092 378989383 /nfs/dbraw/zinc/98/93/83/378989383.db2.gz VNTDDUAWWPKJRW-LLVKDONJSA-N 2 2 290.304 2.886 50 0 CFAALP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163760092 378989386 /nfs/dbraw/zinc/98/93/86/378989386.db2.gz VNTDDUAWWPKJRW-LLVKDONJSA-N 2 2 290.304 2.886 50 0 CFAALP CCS[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000190034834 382651141 /nfs/dbraw/zinc/65/11/41/382651141.db2.gz WUQVNBKGUMLCDU-CHWSQXEVSA-N 2 2 253.415 2.537 50 0 CFAALP Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000195530380 382769055 /nfs/dbraw/zinc/76/90/55/382769055.db2.gz UUDYFMYWVPSFCC-KGLIPLIRSA-N 2 2 272.396 2.701 50 0 CFAALP Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000195530380 382769056 /nfs/dbraw/zinc/76/90/56/382769056.db2.gz UUDYFMYWVPSFCC-KGLIPLIRSA-N 2 2 272.396 2.701 50 0 CFAALP Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)cc[nH+]1 ZINC000215010991 382777485 /nfs/dbraw/zinc/77/74/85/382777485.db2.gz PKGFTZQXQWEXPJ-UHFFFAOYSA-N 2 2 288.420 2.559 50 0 CFAALP Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)cc[nH+]1 ZINC000215010991 382777486 /nfs/dbraw/zinc/77/74/86/382777486.db2.gz PKGFTZQXQWEXPJ-UHFFFAOYSA-N 2 2 288.420 2.559 50 0 CFAALP C[C@@H](c1ccc(C[N@H+](C)CCn2cc[nH+]c2)cc1)[NH+](C)C ZINC000215353135 382778599 /nfs/dbraw/zinc/77/85/99/382778599.db2.gz SUOHSGAPMQOQAT-HNNXBMFYSA-N 3 2 286.423 2.638 50 0 CFAALP C[C@@H](c1ccc(C[N@@H+](C)CCn2cc[nH+]c2)cc1)[NH+](C)C ZINC000215353135 382778602 /nfs/dbraw/zinc/77/86/02/382778602.db2.gz SUOHSGAPMQOQAT-HNNXBMFYSA-N 3 2 286.423 2.638 50 0 CFAALP CC[N@H+](Cc1cc(C[NH+](C)C)cs1)Cc1nccn1C ZINC000215693529 382780168 /nfs/dbraw/zinc/78/01/68/382780168.db2.gz WAIBBVGQZJYSSM-UHFFFAOYSA-N 2 2 292.452 2.565 50 0 CFAALP CC[N@@H+](Cc1cc(C[NH+](C)C)cs1)Cc1nccn1C ZINC000215693529 382780170 /nfs/dbraw/zinc/78/01/70/382780170.db2.gz WAIBBVGQZJYSSM-UHFFFAOYSA-N 2 2 292.452 2.565 50 0 CFAALP CCN(Cc1cc(C[NH+](C)C)cs1)Cc1[nH+]ccn1C ZINC000215693529 382780171 /nfs/dbraw/zinc/78/01/71/382780171.db2.gz WAIBBVGQZJYSSM-UHFFFAOYSA-N 2 2 292.452 2.565 50 0 CFAALP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117573 383115068 /nfs/dbraw/zinc/11/50/68/383115068.db2.gz LYWDZPVSJTZQPQ-BEFAXECRSA-N 2 2 298.430 2.960 50 0 CFAALP Cc1cc(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)c[nH+]c1C ZINC000426661387 383408910 /nfs/dbraw/zinc/40/89/10/383408910.db2.gz USJPXKTWOKRQRN-CQSZACIVSA-N 2 2 289.423 2.579 50 0 CFAALP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000453193468 383796670 /nfs/dbraw/zinc/79/66/70/383796670.db2.gz IEDVWSPPQDVXMG-RKVPGOIHSA-N 2 2 298.434 2.689 50 0 CFAALP Cc1ccc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)cc1C ZINC000000203731 393450080 /nfs/dbraw/zinc/45/00/80/393450080.db2.gz CJTUQGMZJPMVQS-UHFFFAOYSA-N 2 2 285.395 2.650 50 0 CFAALP Cc1nc(NC2CCC(Nc3cc[nH+]c(C)n3)CC2)cc[nH+]1 ZINC000096429167 393830917 /nfs/dbraw/zinc/83/09/17/393830917.db2.gz JEMWAMWBUDQNMV-UHFFFAOYSA-N 2 2 298.394 2.719 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000352698317 163225268 /nfs/dbraw/zinc/22/52/68/163225268.db2.gz QTLNIBUAPMMQCF-CQSZACIVSA-N 2 2 270.376 2.859 50 0 CFAALP COc1cccc2cc(C[NH2+][C@H](C)Cn3cc[nH+]c3)oc21 ZINC000035275284 172095919 /nfs/dbraw/zinc/09/59/19/172095919.db2.gz YPVZVSRXCBDCCW-GFCCVEGCSA-N 2 2 285.347 2.816 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037213893 173034564 /nfs/dbraw/zinc/03/45/64/173034564.db2.gz XAXNXLBSMDJJLK-CQSZACIVSA-N 2 2 288.395 2.552 50 0 CFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037213893 173034566 /nfs/dbraw/zinc/03/45/66/173034566.db2.gz XAXNXLBSMDJJLK-CQSZACIVSA-N 2 2 288.395 2.552 50 0 CFAALP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000037246949 173060092 /nfs/dbraw/zinc/06/00/92/173060092.db2.gz WXBOUFZFJFRVCW-IAGOWNOFSA-N 2 2 252.361 2.613 50 0 CFAALP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000037246949 173060094 /nfs/dbraw/zinc/06/00/94/173060094.db2.gz WXBOUFZFJFRVCW-IAGOWNOFSA-N 2 2 252.361 2.613 50 0 CFAALP FC(F)(F)c1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000043323965 175006304 /nfs/dbraw/zinc/00/63/04/175006304.db2.gz HQEBPBKZVOVLEI-LBPRGKRZSA-N 2 2 258.287 2.547 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C)o1)CCC2 ZINC000089656091 274824027 /nfs/dbraw/zinc/82/40/27/274824027.db2.gz VUVXLIPXECFFFR-CYBMUJFWSA-N 2 2 259.353 2.760 50 0 CFAALP C[NH+](C)[C@H](CNC1=[NH+]CCCCC1)c1ccccc1 ZINC000006007421 276792370 /nfs/dbraw/zinc/79/23/70/276792370.db2.gz FLUIRLDNBZKMGV-OAHLLOKOSA-N 2 2 259.397 2.851 50 0 CFAALP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccncc1 ZINC000095402198 279485154 /nfs/dbraw/zinc/48/51/54/279485154.db2.gz QYZKOFZIFYOHEM-GXTWGEPZSA-N 2 2 256.353 2.506 50 0 CFAALP O[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000556173292 281928323 /nfs/dbraw/zinc/92/83/23/281928323.db2.gz HHWABJJYNHKVSV-SWLSCSKDSA-N 2 2 291.420 2.575 50 0 CFAALP Cc1cc(C)cc(N2CCC([NH2+]CCc3[nH]cc[nH+]3)CC2)c1 ZINC000534636998 328333979 /nfs/dbraw/zinc/33/39/79/328333979.db2.gz OEPKFLPKQWLVRY-UHFFFAOYSA-N 2 2 298.434 2.828 50 0 CFAALP FC(F)(F)c1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000061626445 527682219 /nfs/dbraw/zinc/68/22/19/527682219.db2.gz WYXOOQXMYUPOME-UHFFFAOYSA-N 2 2 255.243 2.718 50 0 CFAALP OC[C@@H]1CCC[N@H+](CCCNc2[nH+]ccc3ccccc32)C1 ZINC000952969155 650790035 /nfs/dbraw/zinc/79/00/35/650790035.db2.gz MKFUWIKLVIHJIS-OAHLLOKOSA-N 2 2 299.418 2.741 50 0 CFAALP OC[C@@H]1CCC[N@@H+](CCCNc2[nH+]ccc3ccccc32)C1 ZINC000952969155 650790038 /nfs/dbraw/zinc/79/00/38/650790038.db2.gz MKFUWIKLVIHJIS-OAHLLOKOSA-N 2 2 299.418 2.741 50 0 CFAALP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000097831172 230387768 /nfs/dbraw/zinc/38/77/68/230387768.db2.gz WAEKZAIDHILBQU-OAHLLOKOSA-N 3 2 295.496 2.726 50 0 CFAALP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000097831172 230387769 /nfs/dbraw/zinc/38/77/69/230387769.db2.gz WAEKZAIDHILBQU-OAHLLOKOSA-N 3 2 295.496 2.726 50 0 CFAALP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2ccccc2n1 ZINC000095984094 185055023 /nfs/dbraw/zinc/05/50/23/185055023.db2.gz FURSUJHOTOWLAN-UHFFFAOYSA-N 2 2 280.375 2.953 50 0 CFAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2ccccc2n1 ZINC000095984094 185055024 /nfs/dbraw/zinc/05/50/24/185055024.db2.gz FURSUJHOTOWLAN-UHFFFAOYSA-N 2 2 280.375 2.953 50 0 CFAALP COc1ccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000095987222 185055806 /nfs/dbraw/zinc/05/58/06/185055806.db2.gz ARXQZBHUOVMGBM-INIZCTEOSA-N 2 2 285.391 2.771 50 0 CFAALP COc1ccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000095987222 185055808 /nfs/dbraw/zinc/05/58/08/185055808.db2.gz ARXQZBHUOVMGBM-INIZCTEOSA-N 2 2 285.391 2.771 50 0 CFAALP Cc1cccc(N2CCC([NH2+][C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000584896000 348731137 /nfs/dbraw/zinc/73/11/37/348731137.db2.gz HZQGHFNMCCVSRX-KRWDZBQOSA-N 2 2 287.451 2.648 50 0 CFAALP Cc1cccc(N2CCC([NH2+][C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000584896000 348731140 /nfs/dbraw/zinc/73/11/40/348731140.db2.gz HZQGHFNMCCVSRX-KRWDZBQOSA-N 2 2 287.451 2.648 50 0 CFAALP c1c[nH+]c([C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH]1 ZINC000670439683 540995031 /nfs/dbraw/zinc/99/50/31/540995031.db2.gz PIFLWDRUDVBTGW-OAHLLOKOSA-N 2 2 267.376 2.757 50 0 CFAALP c1c[nH+]c([C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH]1 ZINC000670439683 540995035 /nfs/dbraw/zinc/99/50/35/540995035.db2.gz PIFLWDRUDVBTGW-OAHLLOKOSA-N 2 2 267.376 2.757 50 0 CFAALP CC[NH+](CC)CCC[NH2+]Cc1ccccc1OC ZINC000013734186 372046896 /nfs/dbraw/zinc/04/68/96/372046896.db2.gz SRTSMDOWGHWXCQ-UHFFFAOYSA-N 2 2 250.386 2.517 50 0 CFAALP COc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)[nH+]2)cc1OC ZINC000036874267 372604787 /nfs/dbraw/zinc/60/47/87/372604787.db2.gz XPRWZAAQFFEKCD-UHFFFAOYSA-N 2 2 287.363 2.561 50 0 CFAALP c1ccc(C[NH+]2CCC([NH2+]Cc3cccnc3)CC2)cc1 ZINC000057755507 373609991 /nfs/dbraw/zinc/60/99/91/373609991.db2.gz CHTOYPLEEAUYGN-UHFFFAOYSA-N 2 2 281.403 2.836 50 0 CFAALP C[C@H](CC(C)(C)O)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000065499209 373879634 /nfs/dbraw/zinc/87/96/34/373879634.db2.gz NMZGLTSFYBAVEL-CYBMUJFWSA-N 2 2 289.423 2.645 50 0 CFAALP CCc1[nH]c(C[N@@H+]2CCCC[C@@H]2CCOC)c(C)[nH+]1 ZINC000065433514 373870461 /nfs/dbraw/zinc/87/04/61/373870461.db2.gz PBWJYKGAYZSWDG-CYBMUJFWSA-N 2 2 265.401 2.672 50 0 CFAALP CCc1[nH]c(C[N@H+]2CCCC[C@@H]2CCOC)c(C)[nH+]1 ZINC000065433514 373870468 /nfs/dbraw/zinc/87/04/68/373870468.db2.gz PBWJYKGAYZSWDG-CYBMUJFWSA-N 2 2 265.401 2.672 50 0 CFAALP c1cn(CCn2cc[nH+]c2)c(-c2cccc3ncccc32)n1 ZINC000067975220 374017779 /nfs/dbraw/zinc/01/77/79/374017779.db2.gz XQLROAKVFWXRDQ-UHFFFAOYSA-N 2 2 289.342 2.995 50 0 CFAALP c1cn(CCn2cc[nH+]c2-c2cccc3ncccc32)c[nH+]1 ZINC000067975220 374017786 /nfs/dbraw/zinc/01/77/86/374017786.db2.gz XQLROAKVFWXRDQ-UHFFFAOYSA-N 2 2 289.342 2.995 50 0 CFAALP C[N@@H+]1CCC[C@@H]1CCn1cc[nH+]c1-c1ccc2nonc2c1 ZINC000067673489 373989216 /nfs/dbraw/zinc/98/92/16/373989216.db2.gz PXOYEIHSQKCXMT-CYBMUJFWSA-N 2 2 297.362 2.571 50 0 CFAALP C[N@H+]1CCC[C@@H]1CCn1cc[nH+]c1-c1ccc2nonc2c1 ZINC000067673489 373989221 /nfs/dbraw/zinc/98/92/21/373989221.db2.gz PXOYEIHSQKCXMT-CYBMUJFWSA-N 2 2 297.362 2.571 50 0 CFAALP Cc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)s1 ZINC000084205538 374768167 /nfs/dbraw/zinc/76/81/67/374768167.db2.gz WMBSDTQCSJZMNG-LBPRGKRZSA-N 2 2 261.394 2.920 50 0 CFAALP c1cn([C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000089807034 374956571 /nfs/dbraw/zinc/95/65/71/374956571.db2.gz QNIUSDPZSBCFIH-HUUCEWRRSA-N 2 2 299.374 2.538 50 0 CFAALP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000093643706 375282083 /nfs/dbraw/zinc/28/20/83/375282083.db2.gz KCCCPYRKBYLFBM-XHDPSFHLSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000093643706 375282089 /nfs/dbraw/zinc/28/20/89/375282089.db2.gz KCCCPYRKBYLFBM-XHDPSFHLSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1C ZINC000093643706 375282091 /nfs/dbraw/zinc/28/20/91/375282091.db2.gz KCCCPYRKBYLFBM-XHDPSFHLSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1C ZINC000093643706 375282099 /nfs/dbraw/zinc/28/20/99/375282099.db2.gz KCCCPYRKBYLFBM-XHDPSFHLSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCSCC1 ZINC000095988258 375465167 /nfs/dbraw/zinc/46/51/67/375465167.db2.gz DKRZSJNMPSMZEY-AWEZNQCLSA-N 2 2 278.465 2.992 50 0 CFAALP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCSCC1 ZINC000095988258 375465174 /nfs/dbraw/zinc/46/51/74/375465174.db2.gz DKRZSJNMPSMZEY-AWEZNQCLSA-N 2 2 278.465 2.992 50 0 CFAALP COCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095359296 375420201 /nfs/dbraw/zinc/42/02/01/375420201.db2.gz MBFUOROPAUDQLO-INIZCTEOSA-N 2 2 291.439 2.899 50 0 CFAALP COCCC[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095359296 375420206 /nfs/dbraw/zinc/42/02/06/375420206.db2.gz MBFUOROPAUDQLO-INIZCTEOSA-N 2 2 291.439 2.899 50 0 CFAALP CC(C)Cn1c[nH+]cc1CNc1cc(C(C)C)[nH+]c(N)n1 ZINC000095367340 375420966 /nfs/dbraw/zinc/42/09/66/375420966.db2.gz DVCGUKSIFJIBKO-UHFFFAOYSA-N 2 2 288.399 2.647 50 0 CFAALP Cc1ccccc1C[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000095419097 375438874 /nfs/dbraw/zinc/43/88/74/375438874.db2.gz LRMBTUCSRKSKKT-HNNXBMFYSA-N 2 2 257.381 2.802 50 0 CFAALP Cc1noc(C)c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200496 375536710 /nfs/dbraw/zinc/53/67/10/375536710.db2.gz DXEZVWAPKXQJPR-AWEZNQCLSA-N 2 2 286.379 2.620 50 0 CFAALP Cc1noc(C)c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200496 375536718 /nfs/dbraw/zinc/53/67/18/375536718.db2.gz DXEZVWAPKXQJPR-AWEZNQCLSA-N 2 2 286.379 2.620 50 0 CFAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000097142208 375528991 /nfs/dbraw/zinc/52/89/91/375528991.db2.gz PTLWJGYBBPKNQV-YJBOKZPZSA-N 2 2 281.403 2.692 50 0 CFAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000097142208 375528997 /nfs/dbraw/zinc/52/89/97/375528997.db2.gz PTLWJGYBBPKNQV-YJBOKZPZSA-N 2 2 281.403 2.692 50 0 CFAALP Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCC[NH2+]C1 ZINC000169676751 379107635 /nfs/dbraw/zinc/10/76/35/379107635.db2.gz XZYYDISDJKVDNC-CQSZACIVSA-N 2 2 255.365 2.858 50 0 CFAALP Cn1c(CCC[NH2+][C@@H]2CCSC2)[nH+]c2ccccc21 ZINC000181021010 380726595 /nfs/dbraw/zinc/72/65/95/380726595.db2.gz MIWKPHMGKUMGFV-GFCCVEGCSA-N 2 2 275.421 2.601 50 0 CFAALP Cc1c[nH+]c(-c2ccccc2)n1C1C[NH+](C2CCOCC2)C1 ZINC000409420922 380959921 /nfs/dbraw/zinc/95/99/21/380959921.db2.gz DJICHOMUUMQUGQ-UHFFFAOYSA-N 2 2 297.402 2.894 50 0 CFAALP COc1ccc(C[N@H+](C)C[C@@]2(C)CC[NH+](C)C2)c(F)c1 ZINC000215391289 382778691 /nfs/dbraw/zinc/77/86/91/382778691.db2.gz JAOVIJNMVOXDBZ-INIZCTEOSA-N 2 2 280.387 2.608 50 0 CFAALP COc1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH+](C)C2)c(F)c1 ZINC000215391289 382778693 /nfs/dbraw/zinc/77/86/93/382778693.db2.gz JAOVIJNMVOXDBZ-INIZCTEOSA-N 2 2 280.387 2.608 50 0 CFAALP COc1ccc(C[NH+](C)C[C@@]2(C)CC[N@H+](C)C2)c(F)c1 ZINC000215391289 382778696 /nfs/dbraw/zinc/77/86/96/382778696.db2.gz JAOVIJNMVOXDBZ-INIZCTEOSA-N 2 2 280.387 2.608 50 0 CFAALP COc1ccc(C[NH+](C)C[C@@]2(C)CC[N@@H+](C)C2)c(F)c1 ZINC000215391289 382778698 /nfs/dbraw/zinc/77/86/98/382778698.db2.gz JAOVIJNMVOXDBZ-INIZCTEOSA-N 2 2 280.387 2.608 50 0 CFAALP CCn1cc[nH+]c1CN(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000215591206 382779785 /nfs/dbraw/zinc/77/97/85/382779785.db2.gz JKBSPYRBRDHFQD-UHFFFAOYSA-N 2 2 278.444 2.644 50 0 CFAALP Cc1[nH+]ccn1C[C@@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000225597134 382819045 /nfs/dbraw/zinc/81/90/45/382819045.db2.gz YYRQMOOKWCSNJS-ZDUSSCGKSA-N 2 2 281.363 2.737 50 0 CFAALP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000252516620 383416634 /nfs/dbraw/zinc/41/66/34/383416634.db2.gz VHHKUNNWRMAQFJ-MDZLAQPJSA-N 2 2 291.424 2.687 50 0 CFAALP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000252516620 383416641 /nfs/dbraw/zinc/41/66/41/383416641.db2.gz VHHKUNNWRMAQFJ-MDZLAQPJSA-N 2 2 291.424 2.687 50 0 CFAALP Cc1c[nH+]c(-c2cccnc2)n1CCC1CC[NH2+]CC1 ZINC000257192638 383493767 /nfs/dbraw/zinc/49/37/67/383493767.db2.gz QUQVUQWJRUBGME-UHFFFAOYSA-N 2 2 270.380 2.643 50 0 CFAALP Cn1c[nH+]cc1C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000112340496 412990094 /nfs/dbraw/zinc/99/00/94/412990094.db2.gz XIKARMBRPOHWEB-QWRGUYRKSA-N 2 2 261.291 2.631 50 0 CFAALP c1ccc(N2CC[C@@H](Nc3[nH]c4ccccc4[nH+]3)C2)[nH+]c1 ZINC000270562992 385147502 /nfs/dbraw/zinc/14/75/02/385147502.db2.gz KGMJTUYAKWUMRU-GFCCVEGCSA-N 2 2 279.347 2.649 50 0 CFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052655 260006370 /nfs/dbraw/zinc/00/63/70/260006370.db2.gz RIIVBOZFETVGJI-ZDUSSCGKSA-N 2 2 290.436 2.712 50 0 CFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052655 260006372 /nfs/dbraw/zinc/00/63/72/260006372.db2.gz RIIVBOZFETVGJI-ZDUSSCGKSA-N 2 2 290.436 2.712 50 0 CFAALP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cscn3)C2)[nH+]1 ZINC000237748628 131055032 /nfs/dbraw/zinc/05/50/32/131055032.db2.gz KKXUTGHAGJWWQU-ZDUSSCGKSA-N 2 2 288.420 2.781 50 0 CFAALP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cscn3)C2)[nH+]1 ZINC000237748628 131055033 /nfs/dbraw/zinc/05/50/33/131055033.db2.gz KKXUTGHAGJWWQU-ZDUSSCGKSA-N 2 2 288.420 2.781 50 0 CFAALP Cc1noc(C)c1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020253379 171105711 /nfs/dbraw/zinc/10/57/11/171105711.db2.gz BTPSOUDDUHXPEO-UHFFFAOYSA-N 2 2 284.363 2.739 50 0 CFAALP Fc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1F ZINC000072162827 176330539 /nfs/dbraw/zinc/33/05/39/176330539.db2.gz SNYZHDUIOMHZQU-OAHLLOKOSA-N 2 2 266.335 2.540 50 0 CFAALP Fc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1F ZINC000072162827 176330540 /nfs/dbraw/zinc/33/05/40/176330540.db2.gz SNYZHDUIOMHZQU-OAHLLOKOSA-N 2 2 266.335 2.540 50 0 CFAALP c1cn(CC[C@H]2CCCC[N@@H+]2Cc2ccccn2)c[nH+]1 ZINC000077556430 177280466 /nfs/dbraw/zinc/28/04/66/177280466.db2.gz HRNYGGQDQXJFSP-MRXNPFEDSA-N 2 2 270.380 2.723 50 0 CFAALP c1cn(CC[C@H]2CCCC[N@H+]2Cc2ccccn2)c[nH+]1 ZINC000077556430 177280468 /nfs/dbraw/zinc/28/04/68/177280468.db2.gz HRNYGGQDQXJFSP-MRXNPFEDSA-N 2 2 270.380 2.723 50 0 CFAALP Cc1c[nH]c([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000534633598 328332534 /nfs/dbraw/zinc/33/25/34/328332534.db2.gz WLKLOZOIRZIVOA-LLVKDONJSA-N 2 2 264.417 2.678 50 0 CFAALP Cc1ccc(CC2([NH2+][C@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000534639510 328335540 /nfs/dbraw/zinc/33/55/40/328335540.db2.gz OZWDMCVHYJUAMY-OAHLLOKOSA-N 2 2 269.392 2.945 50 0 CFAALP Cc1cccn2c(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)cnc12 ZINC000188411122 324014896 /nfs/dbraw/zinc/01/48/96/324014896.db2.gz NJDBWIIRYVYXOI-HNNXBMFYSA-N 2 2 295.390 2.504 50 0 CFAALP Cc1cccn2c(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)cnc12 ZINC000188411122 324014903 /nfs/dbraw/zinc/01/49/03/324014903.db2.gz NJDBWIIRYVYXOI-HNNXBMFYSA-N 2 2 295.390 2.504 50 0 CFAALP Cc1cccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000274581014 524564965 /nfs/dbraw/zinc/56/49/65/524564965.db2.gz HOWORNQVRLHNIS-JSGCOSHPSA-N 2 2 256.353 2.674 50 0 CFAALP C[C@H]1CCCC[N@@H+]1CCN(C)Cc1c[nH+]cn1C1CC1 ZINC000252494841 545529655 /nfs/dbraw/zinc/52/96/55/545529655.db2.gz OGJGMRBZADGORH-AWEZNQCLSA-N 2 2 276.428 2.524 50 0 CFAALP C[C@H]1CCCC[N@H+]1CCN(C)Cc1c[nH+]cn1C1CC1 ZINC000252494841 545529663 /nfs/dbraw/zinc/52/96/63/545529663.db2.gz OGJGMRBZADGORH-AWEZNQCLSA-N 2 2 276.428 2.524 50 0 CFAALP Cc1cc(N2CC[C@H]([NH+](C)C)[C@H]2C)nc(C2CCC2)[nH+]1 ZINC000928996275 648972305 /nfs/dbraw/zinc/97/23/05/648972305.db2.gz RBXNXRCRADDVQU-OCCSQVGLSA-N 2 2 274.412 2.581 50 0 CFAALP Cc1cc(C)cc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000584901118 348732901 /nfs/dbraw/zinc/73/29/01/348732901.db2.gz ODFVGYMNEWOARB-QGZVFWFLSA-N 2 2 287.451 2.566 50 0 CFAALP Cc1cc(C)cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000584901118 348732903 /nfs/dbraw/zinc/73/29/03/348732903.db2.gz ODFVGYMNEWOARB-QGZVFWFLSA-N 2 2 287.451 2.566 50 0 CFAALP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1n1cc[nH+]c1 ZINC000091960555 180292319 /nfs/dbraw/zinc/29/23/19/180292319.db2.gz LBUXPBUYIHWUKQ-PBHICJAKSA-N 2 2 297.402 2.901 50 0 CFAALP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1n1cc[nH+]c1 ZINC000091960555 180292320 /nfs/dbraw/zinc/29/23/20/180292320.db2.gz LBUXPBUYIHWUKQ-PBHICJAKSA-N 2 2 297.402 2.901 50 0 CFAALP CCOCCC[N@@H+]1CC[C@@H](Nc2cccc[nH+]2)[C@H](C)C1 ZINC000084801271 540209893 /nfs/dbraw/zinc/20/98/93/540209893.db2.gz MZIUZDABHUDNKE-HUUCEWRRSA-N 2 2 277.412 2.631 50 0 CFAALP CCOCCC[N@H+]1CC[C@@H](Nc2cccc[nH+]2)[C@H](C)C1 ZINC000084801271 540209894 /nfs/dbraw/zinc/20/98/94/540209894.db2.gz MZIUZDABHUDNKE-HUUCEWRRSA-N 2 2 277.412 2.631 50 0 CFAALP Cc1noc([C@@H]([NH2+][C@H](C)Cn2c[nH+]c(C)c2C)C(C)C)n1 ZINC000091724505 540398509 /nfs/dbraw/zinc/39/85/09/540398509.db2.gz AJYJZSLADURHGA-YGRLFVJLSA-N 2 2 291.399 2.567 50 0 CFAALP CC(C)c1nc(C[NH2+][C@@H]2CC[C@@H]([NH+](C)C)C2)cs1 ZINC000092846729 540412110 /nfs/dbraw/zinc/41/21/10/540412110.db2.gz OCTSAYSBJBBMOO-DGCLKSJQSA-N 2 2 267.442 2.839 50 0 CFAALP C[NH+](C)C1(CNc2ccc3ccccc3n2)CC[NH+](C)CC1 ZINC000823759423 781938059 /nfs/dbraw/zinc/93/80/59/781938059.db2.gz ITAKYEIICCNSTR-UHFFFAOYSA-N 2 2 298.434 2.673 50 0 CFAALP COc1ccccc1/C=C/C[N@H+](C)C1CC[NH+](C)CC1 ZINC000000215875 371561188 /nfs/dbraw/zinc/56/11/88/371561188.db2.gz SQIOZJSIUCVGBS-SOFGYWHQSA-N 2 2 274.408 2.734 50 0 CFAALP COc1ccccc1/C=C/C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000000215875 371561192 /nfs/dbraw/zinc/56/11/92/371561192.db2.gz SQIOZJSIUCVGBS-SOFGYWHQSA-N 2 2 274.408 2.734 50 0 CFAALP C[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000000316420 371585844 /nfs/dbraw/zinc/58/58/44/371585844.db2.gz BMXPXGQKTHPCSB-OAHLLOKOSA-N 2 2 273.424 2.778 50 0 CFAALP C[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000000316420 371585847 /nfs/dbraw/zinc/58/58/47/371585847.db2.gz BMXPXGQKTHPCSB-OAHLLOKOSA-N 2 2 273.424 2.778 50 0 CFAALP CSc1ccc(C[N@@H+]2CCO[C@H](CC[NH+](C)C)C2)cc1 ZINC000011996638 371940016 /nfs/dbraw/zinc/94/00/16/371940016.db2.gz KEOAWLUEGHQKPG-OAHLLOKOSA-N 2 2 294.464 2.561 50 0 CFAALP CSc1ccc(C[N@H+]2CCO[C@H](CC[NH+](C)C)C2)cc1 ZINC000011996638 371940019 /nfs/dbraw/zinc/94/00/19/371940019.db2.gz KEOAWLUEGHQKPG-OAHLLOKOSA-N 2 2 294.464 2.561 50 0 CFAALP C[NH2+]CCCc1[nH]cc(-c2ccccc2Br)[nH+]1 ZINC000037611619 372672210 /nfs/dbraw/zinc/67/22/10/372672210.db2.gz XOSKBZTYSZAWCK-UHFFFAOYSA-N 2 2 294.196 2.991 50 0 CFAALP CC(C)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000037618940 372674623 /nfs/dbraw/zinc/67/46/23/372674623.db2.gz YMEDVQGQELHPTG-UHFFFAOYSA-N 2 2 295.858 2.850 50 0 CFAALP Cc1[nH+]ccn1-c1ccc(CNc2cc(C)[nH+]c(C)n2)cn1 ZINC000052510483 373444300 /nfs/dbraw/zinc/44/43/00/373444300.db2.gz MKDSULRMELMDMB-UHFFFAOYSA-N 2 2 294.362 2.595 50 0 CFAALP c1cn(CCC[N@H+](Cc2ccoc2)Cc2cccnc2)c[nH+]1 ZINC000055393424 373552004 /nfs/dbraw/zinc/55/20/04/373552004.db2.gz GFTAVVUIEDFBNX-UHFFFAOYSA-N 2 2 296.374 2.964 50 0 CFAALP c1cn(CCC[N@@H+](Cc2ccoc2)Cc2cccnc2)c[nH+]1 ZINC000055393424 373552010 /nfs/dbraw/zinc/55/20/10/373552010.db2.gz GFTAVVUIEDFBNX-UHFFFAOYSA-N 2 2 296.374 2.964 50 0 CFAALP FC(F)(F)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000061626467 373722934 /nfs/dbraw/zinc/72/29/34/373722934.db2.gz YYQQTHOOFPNXES-LBPRGKRZSA-N 2 2 258.287 2.547 50 0 CFAALP Cc1ncc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000065552725 373886567 /nfs/dbraw/zinc/88/65/67/373886567.db2.gz LVMDYHGHKSSNJK-CYBMUJFWSA-N 2 2 288.420 2.781 50 0 CFAALP Cc1ncc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000065552725 373886576 /nfs/dbraw/zinc/88/65/76/373886576.db2.gz LVMDYHGHKSSNJK-CYBMUJFWSA-N 2 2 288.420 2.781 50 0 CFAALP c1cn(C[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c[nH+]1 ZINC000065408278 373868692 /nfs/dbraw/zinc/86/86/92/373868692.db2.gz ZPDXLVSVDBHUHT-QGZVFWFLSA-N 2 2 269.392 2.838 50 0 CFAALP c1cn(C[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c[nH+]1 ZINC000065408278 373868696 /nfs/dbraw/zinc/86/86/96/373868696.db2.gz ZPDXLVSVDBHUHT-QGZVFWFLSA-N 2 2 269.392 2.838 50 0 CFAALP Cc1ccsc1-c1nc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(C)o1 ZINC000067854936 374008383 /nfs/dbraw/zinc/00/83/83/374008383.db2.gz RUDQUWCSITUHTD-GFCCVEGCSA-N 2 2 291.420 2.801 50 0 CFAALP Cc1ccsc1-c1nc(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)o1 ZINC000067854936 374008389 /nfs/dbraw/zinc/00/83/89/374008389.db2.gz RUDQUWCSITUHTD-GFCCVEGCSA-N 2 2 291.420 2.801 50 0 CFAALP COc1ccc2[nH]c(C[NH2+][C@H](C)Cn3cc[nH+]c3)cc2c1 ZINC000067541799 373983914 /nfs/dbraw/zinc/98/39/14/373983914.db2.gz YPUREYZAULHRBO-GFCCVEGCSA-N 2 2 284.363 2.551 50 0 CFAALP Cc1cc2nc(C[NH2+][C@H](C)Cn3cc[nH+]c3)[nH]c2cc1C ZINC000067642513 373987474 /nfs/dbraw/zinc/98/74/74/373987474.db2.gz UAXNOCXFXUMFBP-CYBMUJFWSA-N 2 2 283.379 2.555 50 0 CFAALP Cc1[nH]c(CN[C@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH+]c1C ZINC000571582472 383707470 /nfs/dbraw/zinc/70/74/70/383707470.db2.gz RXBOEUSTQFMURB-RHSMWYFYSA-N 2 2 286.423 2.808 50 0 CFAALP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc(Cl)cn3)n2c1 ZINC000095988542 375467355 /nfs/dbraw/zinc/46/73/55/375467355.db2.gz DOINGHSQAPUQLW-UHFFFAOYSA-N 2 2 286.766 2.981 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000097159026 375531880 /nfs/dbraw/zinc/53/18/80/375531880.db2.gz DWMUPMGKQYNIHU-UHFFFAOYSA-N 2 2 298.434 2.781 50 0 CFAALP COc1cc[nH+]c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000097038791 375498648 /nfs/dbraw/zinc/49/86/48/375498648.db2.gz LESIBUUREHXFCL-UHFFFAOYSA-N 2 2 284.363 2.566 50 0 CFAALP Cc1cccc(NCCc2cn3c([nH+]2)CCCC3)[nH+]1 ZINC000134888080 378058910 /nfs/dbraw/zinc/05/89/10/378058910.db2.gz SXKQNOXADNTYEA-UHFFFAOYSA-N 2 2 256.353 2.577 50 0 CFAALP c1cc(C[N@@H+]2CCC[NH2+]CC2)cc(-c2ccncc2)c1 ZINC000170082852 379115757 /nfs/dbraw/zinc/11/57/57/379115757.db2.gz MPYJKRXYWYRFPI-UHFFFAOYSA-N 2 2 267.376 2.544 50 0 CFAALP c1cc(C[N@H+]2CCC[NH2+]CC2)cc(-c2ccncc2)c1 ZINC000170082852 379115768 /nfs/dbraw/zinc/11/57/68/379115768.db2.gz MPYJKRXYWYRFPI-UHFFFAOYSA-N 2 2 267.376 2.544 50 0 CFAALP Cc1c[nH+]c(-c2ccncc2)n1CC1C[NH+](C2CCC2)C1 ZINC000409421018 380958885 /nfs/dbraw/zinc/95/88/85/380958885.db2.gz XOTXTGRINJLGIO-UHFFFAOYSA-N 2 2 282.391 2.738 50 0 CFAALP CCS[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000190034850 382651197 /nfs/dbraw/zinc/65/11/97/382651197.db2.gz WUQVNBKGUMLCDU-OLZOCXBDSA-N 2 2 253.415 2.537 50 0 CFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000193916467 382729588 /nfs/dbraw/zinc/72/95/88/382729588.db2.gz GREDNBBARQQPKF-CABCVRRESA-N 2 2 275.396 2.775 50 0 CFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000193916467 382729589 /nfs/dbraw/zinc/72/95/89/382729589.db2.gz GREDNBBARQQPKF-CABCVRRESA-N 2 2 275.396 2.775 50 0 CFAALP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)o1 ZINC000216122669 382782272 /nfs/dbraw/zinc/78/22/72/382782272.db2.gz HUDSTUFWKDTTAP-OAHLLOKOSA-N 2 2 256.349 2.788 50 0 CFAALP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)o1 ZINC000216122669 382782273 /nfs/dbraw/zinc/78/22/73/382782273.db2.gz HUDSTUFWKDTTAP-OAHLLOKOSA-N 2 2 256.349 2.788 50 0 CFAALP CCC(CC)[NH+]1CCC([N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000225410268 382815297 /nfs/dbraw/zinc/81/52/97/382815297.db2.gz RSSYKOUHCFKMGS-LSDHHAIUSA-N 3 2 281.488 2.699 50 0 CFAALP CCC(CC)[NH+]1CCC([N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000225410268 382815298 /nfs/dbraw/zinc/81/52/98/382815298.db2.gz RSSYKOUHCFKMGS-LSDHHAIUSA-N 3 2 281.488 2.699 50 0 CFAALP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000236948880 382935583 /nfs/dbraw/zinc/93/55/83/382935583.db2.gz FWKNXWKRTGNVTL-LBPRGKRZSA-N 2 2 286.379 2.636 50 0 CFAALP Cn1c[nH+]cc1C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000112340498 412990585 /nfs/dbraw/zinc/99/05/85/412990585.db2.gz XIKARMBRPOHWEB-GHMZBOCLSA-N 2 2 261.291 2.631 50 0 CFAALP Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc[nH+]1 ZINC000274336836 385770673 /nfs/dbraw/zinc/77/06/73/385770673.db2.gz HDSYYSHNEJAIRO-CQSZACIVSA-N 2 2 298.390 2.622 50 0 CFAALP c1cn(CCC[NH2+][C@H]2CSCCc3ccccc32)c[nH+]1 ZINC000095419100 285535585 /nfs/dbraw/zinc/53/55/85/285535585.db2.gz JATLXCWZDFXGEO-INIZCTEOSA-N 2 2 287.432 2.893 50 0 CFAALP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1 ZINC000095981737 393813879 /nfs/dbraw/zinc/81/38/79/393813879.db2.gz OUZCXDXBGQQGQH-GDBMZVCRSA-N 2 2 270.380 2.670 50 0 CFAALP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1 ZINC000095981737 393813883 /nfs/dbraw/zinc/81/38/83/393813883.db2.gz OUZCXDXBGQQGQH-GDBMZVCRSA-N 2 2 270.380 2.670 50 0 CFAALP CC[N@H+](C)Cc1ccccc1OCCCn1cc[nH+]c1 ZINC000220262636 397621554 /nfs/dbraw/zinc/62/15/54/397621554.db2.gz QLDRQVANBQACFU-UHFFFAOYSA-N 2 2 273.380 2.804 50 0 CFAALP CC[N@@H+](C)Cc1ccccc1OCCCn1cc[nH+]c1 ZINC000220262636 397621558 /nfs/dbraw/zinc/62/15/58/397621558.db2.gz QLDRQVANBQACFU-UHFFFAOYSA-N 2 2 273.380 2.804 50 0 CFAALP Cc1cc(N2CCC[C@@H]([NH3+])CC2)nc(-c2ccccc2)[nH+]1 ZINC000072159066 176329407 /nfs/dbraw/zinc/32/94/07/176329407.db2.gz WQRXWVKIAVESLO-OAHLLOKOSA-N 2 2 282.391 2.770 50 0 CFAALP Fc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1F ZINC000072162828 176330793 /nfs/dbraw/zinc/33/07/93/176330793.db2.gz SNYZHDUIOMHZQU-HNNXBMFYSA-N 2 2 266.335 2.540 50 0 CFAALP Fc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1F ZINC000072162828 176330795 /nfs/dbraw/zinc/33/07/95/176330795.db2.gz SNYZHDUIOMHZQU-HNNXBMFYSA-N 2 2 266.335 2.540 50 0 CFAALP CC[N@@H+]1CCC[C@@H](C[NH+]2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564488 276368139 /nfs/dbraw/zinc/36/81/39/276368139.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 2 2 290.455 2.623 50 0 CFAALP CC[N@H+]1CCC[C@@H](C[NH+]2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564488 276368140 /nfs/dbraw/zinc/36/81/40/276368140.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 2 2 290.455 2.623 50 0 CFAALP CC[NH+]1CCC[C@@H](C[N@@H+]2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564488 276368142 /nfs/dbraw/zinc/36/81/42/276368142.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 2 2 290.455 2.623 50 0 CFAALP CC[NH+]1CCC[C@@H](C[N@H+]2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564488 276368143 /nfs/dbraw/zinc/36/81/43/276368143.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 2 2 290.455 2.623 50 0 CFAALP CC[N@@H+]1CCC[C@@H](C[NH+]2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564488 276368144 /nfs/dbraw/zinc/36/81/44/276368144.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 2 2 290.455 2.623 50 0 CFAALP CC[N@H+]1CCC[C@@H](C[NH+]2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564488 276368145 /nfs/dbraw/zinc/36/81/45/276368145.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 2 2 290.455 2.623 50 0 CFAALP CC[NH+]1CCC[C@@H](C[N@@H+]2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564488 276368146 /nfs/dbraw/zinc/36/81/46/276368146.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 2 2 290.455 2.623 50 0 CFAALP CC[NH+]1CCC[C@@H](C[N@H+]2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564488 276368148 /nfs/dbraw/zinc/36/81/48/276368148.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 2 2 290.455 2.623 50 0 CFAALP Cc1cccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000157994892 281229877 /nfs/dbraw/zinc/22/98/77/281229877.db2.gz HOWORNQVRLHNIS-GXTWGEPZSA-N 2 2 256.353 2.674 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccs1)CCC2 ZINC000089702137 281547490 /nfs/dbraw/zinc/54/74/90/281547490.db2.gz RAHFEHQTRYLIBR-GFCCVEGCSA-N 2 2 261.394 2.920 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000574531272 322696711 /nfs/dbraw/zinc/69/67/11/322696711.db2.gz OIKHKCASVIIHEL-CQSZACIVSA-N 2 2 280.375 2.931 50 0 CFAALP COc1ccc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000035268957 524211209 /nfs/dbraw/zinc/21/12/09/524211209.db2.gz VNFNYGIFQYBDFH-UHFFFAOYSA-N 2 2 279.771 2.725 50 0 CFAALP CCCc1noc([C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000095955980 185042893 /nfs/dbraw/zinc/04/28/93/185042893.db2.gz DZZQFNZUZHHFSA-LBPRGKRZSA-N 2 2 289.383 2.617 50 0 CFAALP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(N2CCCC2)c1 ZINC000095985989 185056231 /nfs/dbraw/zinc/05/62/31/185056231.db2.gz RMCVBIIIVLIVMH-OAHLLOKOSA-N 2 2 284.407 2.834 50 0 CFAALP CC[C@H](COC)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478785 529399363 /nfs/dbraw/zinc/39/93/63/529399363.db2.gz LFCLLVRYLDRGOZ-UKRRQHHQSA-N 2 2 273.380 2.948 50 0 CFAALP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000076046896 347116095 /nfs/dbraw/zinc/11/60/95/347116095.db2.gz FGFPZRPQOKAKQS-LBPRGKRZSA-N 2 2 298.377 2.726 50 0 CFAALP Clc1c[nH+]ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479865 347589251 /nfs/dbraw/zinc/58/92/51/347589251.db2.gz DZXWFNHMTIAXNV-JTQLQIEISA-N 2 2 262.744 2.842 50 0 CFAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)CCc1ccc(O)cc1)C2 ZINC000136387069 347910300 /nfs/dbraw/zinc/91/03/00/347910300.db2.gz BTHDWDVURAJBNZ-CZUORRHYSA-N 2 2 299.418 2.823 50 0 CFAALP CCc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)o1 ZINC000670469149 541007596 /nfs/dbraw/zinc/00/75/96/541007596.db2.gz VDCCBAZVSZBGEC-UHFFFAOYSA-N 2 2 273.380 2.951 50 0 CFAALP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000181917028 189310405 /nfs/dbraw/zinc/31/04/05/189310405.db2.gz OGKXMEYUDPBIIB-AWEZNQCLSA-N 2 2 275.327 2.526 50 0 CFAALP Cc1cccc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000019144483 372149360 /nfs/dbraw/zinc/14/93/60/372149360.db2.gz LGQBMGVUTMAOBP-UHFFFAOYSA-N 2 2 288.435 2.934 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000019960343 372216532 /nfs/dbraw/zinc/21/65/32/372216532.db2.gz DRVBCMIKNHMZNH-GOEBONIOSA-N 2 2 276.424 2.787 50 0 CFAALP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000019960343 372216534 /nfs/dbraw/zinc/21/65/34/372216534.db2.gz DRVBCMIKNHMZNH-GOEBONIOSA-N 2 2 276.424 2.787 50 0 CFAALP c1cn(CC[C@H]2CCCC[N@@H+]2Cc2[nH]nc3c2CCC3)c[nH+]1 ZINC000019792495 372187594 /nfs/dbraw/zinc/18/75/94/372187594.db2.gz HLAANPUVHKRVHS-CQSZACIVSA-N 2 2 299.422 2.540 50 0 CFAALP c1cn(CC[C@H]2CCCC[N@H+]2Cc2[nH]nc3c2CCC3)c[nH+]1 ZINC000019792495 372187596 /nfs/dbraw/zinc/18/75/96/372187596.db2.gz HLAANPUVHKRVHS-CQSZACIVSA-N 2 2 299.422 2.540 50 0 CFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(SC)cc1 ZINC000022935928 372249098 /nfs/dbraw/zinc/24/90/98/372249098.db2.gz JNQOWQSPUFWFHF-AWEZNQCLSA-N 2 2 264.438 2.982 50 0 CFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(SC)cc1 ZINC000022935928 372249104 /nfs/dbraw/zinc/24/91/04/372249104.db2.gz JNQOWQSPUFWFHF-AWEZNQCLSA-N 2 2 264.438 2.982 50 0 CFAALP Oc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000025607405 372304737 /nfs/dbraw/zinc/30/47/37/372304737.db2.gz AGDPSYPPGBDUIX-QGZVFWFLSA-N 2 2 282.387 2.756 50 0 CFAALP Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000025607405 372304740 /nfs/dbraw/zinc/30/47/40/372304740.db2.gz AGDPSYPPGBDUIX-QGZVFWFLSA-N 2 2 282.387 2.756 50 0 CFAALP c1coc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000034990738 372525897 /nfs/dbraw/zinc/52/58/97/372525897.db2.gz ZDJWFCAOWAZUEW-UHFFFAOYSA-N 2 2 253.305 2.755 50 0 CFAALP Cc1cc(NCC(C)(C)C[NH+](C)C)nc(-c2cccnc2)[nH+]1 ZINC000065395530 373864375 /nfs/dbraw/zinc/86/43/75/373864375.db2.gz USPAPVLAVQBKNB-UHFFFAOYSA-N 2 2 299.422 2.847 50 0 CFAALP c1c[nH+]c(-c2ccccc2OCCCn2cc[nH+]c2)[nH]1 ZINC000067712877 373994876 /nfs/dbraw/zinc/99/48/76/373994876.db2.gz IMVHWXCWYJAONX-UHFFFAOYSA-N 2 2 268.320 2.742 50 0 CFAALP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000067739407 373997670 /nfs/dbraw/zinc/99/76/70/373997670.db2.gz WNMCKKBHALJYED-CQSZACIVSA-N 3 2 295.390 2.556 50 0 CFAALP Cc1[nH]cc(-c2ccc3c4c(ccc3c2)O[C@@H](C[NH3+])C4)[nH+]1 ZINC000067948107 374017377 /nfs/dbraw/zinc/01/73/77/374017377.db2.gz IBZWXEUAGCKXDN-CYBMUJFWSA-N 2 2 279.343 2.801 50 0 CFAALP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ncc[nH]2)C1 ZINC000067668330 373989812 /nfs/dbraw/zinc/98/98/12/373989812.db2.gz BANFEIXULWZFHD-OAHLLOKOSA-N 2 2 298.434 2.931 50 0 CFAALP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ncc[nH]2)C1 ZINC000067668330 373989814 /nfs/dbraw/zinc/98/98/14/373989814.db2.gz BANFEIXULWZFHD-OAHLLOKOSA-N 2 2 298.434 2.931 50 0 CFAALP Cc1cnn(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000069489710 374068187 /nfs/dbraw/zinc/06/81/87/374068187.db2.gz BVUAYAMTVMHDBY-OAHLLOKOSA-N 2 2 295.390 2.556 50 0 CFAALP Cc1cnn(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000069489711 374068676 /nfs/dbraw/zinc/06/86/76/374068676.db2.gz BVUAYAMTVMHDBY-HNNXBMFYSA-N 2 2 295.390 2.556 50 0 CFAALP c1cc(C[N@@H+]2CCCn3c[nH+]cc3C2)n(-c2nccs2)c1 ZINC000072145919 374234201 /nfs/dbraw/zinc/23/42/01/374234201.db2.gz FCLPNFVYAJLUEX-UHFFFAOYSA-N 2 2 299.403 2.536 50 0 CFAALP c1cc(C[N@H+]2CCCn3c[nH+]cc3C2)n(-c2nccs2)c1 ZINC000072145919 374234204 /nfs/dbraw/zinc/23/42/04/374234204.db2.gz FCLPNFVYAJLUEX-UHFFFAOYSA-N 2 2 299.403 2.536 50 0 CFAALP CCC[C@](C)(CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000072289930 374242299 /nfs/dbraw/zinc/24/22/99/374242299.db2.gz UXKDFXDCDXAEPK-MRXNPFEDSA-N 2 2 291.370 2.652 50 0 CFAALP Cc1ccn2c(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)cnc2c1 ZINC000089700814 374939497 /nfs/dbraw/zinc/93/94/97/374939497.db2.gz BCXBGERIIHELOS-AWEZNQCLSA-N 2 2 295.390 2.506 50 0 CFAALP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000093643705 375280483 /nfs/dbraw/zinc/28/04/83/375280483.db2.gz KCCCPYRKBYLFBM-IAQYHMDHSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000093643705 375280485 /nfs/dbraw/zinc/28/04/85/375280485.db2.gz KCCCPYRKBYLFBM-IAQYHMDHSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1C ZINC000093643705 375280489 /nfs/dbraw/zinc/28/04/89/375280489.db2.gz KCCCPYRKBYLFBM-IAQYHMDHSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1C ZINC000093643705 375280492 /nfs/dbraw/zinc/28/04/92/375280492.db2.gz KCCCPYRKBYLFBM-IAQYHMDHSA-N 2 2 268.351 2.879 50 0 CFAALP Cc1[nH]ncc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000097159177 375532293 /nfs/dbraw/zinc/53/22/93/375532293.db2.gz DQPORTNPTCOLQY-UHFFFAOYSA-N 2 2 298.434 2.994 50 0 CFAALP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)CC1 ZINC000097546680 375568626 /nfs/dbraw/zinc/56/86/26/375568626.db2.gz YDEBFNBQEWBOOW-LBPRGKRZSA-N 2 2 256.752 2.792 50 0 CFAALP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC000097546680 375568628 /nfs/dbraw/zinc/56/86/28/375568628.db2.gz YDEBFNBQEWBOOW-LBPRGKRZSA-N 2 2 256.752 2.792 50 0 CFAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000182404975 381084147 /nfs/dbraw/zinc/08/41/47/381084147.db2.gz VRIKBHQGLZJQFN-KRWDZBQOSA-N 2 2 297.402 2.929 50 0 CFAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)c1ccccc1 ZINC000182404975 381084153 /nfs/dbraw/zinc/08/41/53/381084153.db2.gz VRIKBHQGLZJQFN-KRWDZBQOSA-N 2 2 297.402 2.929 50 0 CFAALP CCc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000188411275 382409646 /nfs/dbraw/zinc/40/96/46/382409646.db2.gz LXWRFQGWSZLAHJ-CYBMUJFWSA-N 2 2 259.353 2.703 50 0 CFAALP CCc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000188411275 382409651 /nfs/dbraw/zinc/40/96/51/382409651.db2.gz LXWRFQGWSZLAHJ-CYBMUJFWSA-N 2 2 259.353 2.703 50 0 CFAALP Cc1noc([C@@H](C)[N@H+](C)Cc2cc(C[NH+](C)C)cs2)n1 ZINC000215539789 382779217 /nfs/dbraw/zinc/77/92/17/382779217.db2.gz HZUVYTULSAQRSE-SNVBAGLBSA-N 2 2 294.424 2.694 50 0 CFAALP Cc1noc([C@@H](C)[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)n1 ZINC000215539789 382779218 /nfs/dbraw/zinc/77/92/18/382779218.db2.gz HZUVYTULSAQRSE-SNVBAGLBSA-N 2 2 294.424 2.694 50 0 CFAALP [NH3+][C@@H]1CC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000215647284 382779682 /nfs/dbraw/zinc/77/96/82/382779682.db2.gz WOHRPWZNUCJABI-CQSZACIVSA-N 2 2 260.381 2.541 50 0 CFAALP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000215647284 382779683 /nfs/dbraw/zinc/77/96/83/382779683.db2.gz WOHRPWZNUCJABI-CQSZACIVSA-N 2 2 260.381 2.541 50 0 CFAALP CCc1nc(N2CCC[C@H]2C[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000225823425 382822322 /nfs/dbraw/zinc/82/23/22/382822322.db2.gz QXKMDTBGWJLOJP-HNNXBMFYSA-N 2 2 288.439 2.802 50 0 CFAALP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000241316692 382983352 /nfs/dbraw/zinc/98/33/52/382983352.db2.gz LUBNCXLQDUSJGG-WMLDXEAASA-N 2 2 285.391 2.975 50 0 CFAALP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCn2cc[nH+]c2)c1 ZINC000241316692 382983356 /nfs/dbraw/zinc/98/33/56/382983356.db2.gz LUBNCXLQDUSJGG-WMLDXEAASA-N 2 2 285.391 2.975 50 0 CFAALP C[C@@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000426541657 383405050 /nfs/dbraw/zinc/40/50/50/383405050.db2.gz UWGQCPXYJUAHKL-LLVKDONJSA-N 2 2 292.427 2.534 50 0 CFAALP C[C@@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1c[nH]c[nH+]1 ZINC000426541657 383405055 /nfs/dbraw/zinc/40/50/55/383405055.db2.gz UWGQCPXYJUAHKL-LLVKDONJSA-N 2 2 292.427 2.534 50 0 CFAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C2 ZINC000252510125 393937121 /nfs/dbraw/zinc/93/71/21/393937121.db2.gz ZBVOQQIZZABFRE-TZMCWYRMSA-N 2 2 271.364 2.563 50 0 CFAALP CCOc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000004977871 170048222 /nfs/dbraw/zinc/04/82/22/170048222.db2.gz BOUKKPILYRESDW-UHFFFAOYSA-N 2 2 262.397 2.611 50 0 CFAALP CCOc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000004977871 170048223 /nfs/dbraw/zinc/04/82/23/170048223.db2.gz BOUKKPILYRESDW-UHFFFAOYSA-N 2 2 262.397 2.611 50 0 CFAALP c1ccc2c(c1)CC[C@@H]([NH2+]CC[NH+]1CCCCC1)C2 ZINC000022455702 171388443 /nfs/dbraw/zinc/38/84/43/171388443.db2.gz UDUZDPWMLYUVTF-QGZVFWFLSA-N 2 2 258.409 2.619 50 0 CFAALP O[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000040444277 174264030 /nfs/dbraw/zinc/26/40/30/174264030.db2.gz ZENRVYWDMJQWJZ-SFHVURJKSA-N 2 2 288.435 2.670 50 0 CFAALP CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000072312055 176367600 /nfs/dbraw/zinc/36/76/00/176367600.db2.gz BTTIJSGYPDLENX-AWEZNQCLSA-N 2 2 270.380 2.889 50 0 CFAALP CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000072312055 176367602 /nfs/dbraw/zinc/36/76/02/176367602.db2.gz BTTIJSGYPDLENX-AWEZNQCLSA-N 2 2 270.380 2.889 50 0 CFAALP Cc1ccc(CC2([NH2+][C@@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000534639509 328335537 /nfs/dbraw/zinc/33/55/37/328335537.db2.gz OZWDMCVHYJUAMY-HNNXBMFYSA-N 2 2 269.392 2.945 50 0 CFAALP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000250657885 333248122 /nfs/dbraw/zinc/24/81/22/333248122.db2.gz WXBOUFZFJFRVCW-IRXDYDNUSA-N 2 2 252.361 2.613 50 0 CFAALP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000250657885 333248123 /nfs/dbraw/zinc/24/81/23/333248123.db2.gz WXBOUFZFJFRVCW-IRXDYDNUSA-N 2 2 252.361 2.613 50 0 CFAALP Fc1ccccc1[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000096493067 534532629 /nfs/dbraw/zinc/53/26/29/534532629.db2.gz DNJRUQJCVABKGN-CQSZACIVSA-N 2 2 273.355 2.902 50 0 CFAALP Fc1ccccc1[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000096493067 534532631 /nfs/dbraw/zinc/53/26/31/534532631.db2.gz DNJRUQJCVABKGN-CQSZACIVSA-N 2 2 273.355 2.902 50 0 CFAALP C[N@H+](Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000003684240 626408591 /nfs/dbraw/zinc/40/85/91/626408591.db2.gz VGJPCNBWIXJCAM-UHFFFAOYSA-N 2 2 252.789 2.866 50 0 CFAALP C[N@@H+](Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000003684240 626408593 /nfs/dbraw/zinc/40/85/93/626408593.db2.gz VGJPCNBWIXJCAM-UHFFFAOYSA-N 2 2 252.789 2.866 50 0 CFAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ncc[nH]2)cc1F ZINC000080374501 347356140 /nfs/dbraw/zinc/35/61/40/347356140.db2.gz NWAWEXXOOYZTSI-LLVKDONJSA-N 2 2 299.353 2.894 50 0 CFAALP Cn1cc[nH+]c1CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000097238034 347708699 /nfs/dbraw/zinc/70/86/99/347708699.db2.gz MLLKSAZOUKZJEZ-AWEZNQCLSA-N 2 2 289.354 2.605 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000397539055 348561571 /nfs/dbraw/zinc/56/15/71/348561571.db2.gz SXANPLQXUDTUAO-UHFFFAOYSA-N 2 2 285.347 2.673 50 0 CFAALP COc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000585140354 348736594 /nfs/dbraw/zinc/73/65/94/348736594.db2.gz CPKLXLUPVDUKCP-UONOGXRCSA-N 2 2 262.397 2.576 50 0 CFAALP COc1cccc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000585140354 348736596 /nfs/dbraw/zinc/73/65/96/348736596.db2.gz CPKLXLUPVDUKCP-UONOGXRCSA-N 2 2 262.397 2.576 50 0 CFAALP Cc1ccsc1C[NH+]1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000091519102 180177355 /nfs/dbraw/zinc/17/73/55/180177355.db2.gz AQGTVNNZRYJKIJ-QWHCGFSZSA-N 2 2 250.411 2.583 50 0 CFAALP Cc1ccsc1C[NH+]1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000091519102 180177358 /nfs/dbraw/zinc/17/73/58/180177358.db2.gz AQGTVNNZRYJKIJ-QWHCGFSZSA-N 2 2 250.411 2.583 50 0 CFAALP Cc1ccsc1C[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](C)C2 ZINC000091519102 180177361 /nfs/dbraw/zinc/17/73/61/180177361.db2.gz AQGTVNNZRYJKIJ-QWHCGFSZSA-N 2 2 250.411 2.583 50 0 CFAALP Cc1ccsc1C[N@H+]1C[C@H]2CC[C@@H]1C[NH+](C)C2 ZINC000091519102 180177362 /nfs/dbraw/zinc/17/73/62/180177362.db2.gz AQGTVNNZRYJKIJ-QWHCGFSZSA-N 2 2 250.411 2.583 50 0 CFAALP C[C@H](c1ccncc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000169984109 540550165 /nfs/dbraw/zinc/55/01/65/540550165.db2.gz OADXKOGIJVDXRV-CYBMUJFWSA-N 2 2 256.353 2.676 50 0 CFAALP c1c[nH+]c([C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH]1 ZINC000670439682 540995075 /nfs/dbraw/zinc/99/50/75/540995075.db2.gz PIFLWDRUDVBTGW-HNNXBMFYSA-N 2 2 267.376 2.757 50 0 CFAALP c1c[nH+]c([C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH]1 ZINC000670439682 540995078 /nfs/dbraw/zinc/99/50/78/540995078.db2.gz PIFLWDRUDVBTGW-HNNXBMFYSA-N 2 2 267.376 2.757 50 0 CFAALP C(CCC[N@@H+]1CCSC1)CC[NH+]1CCSC1 ZINC000002184742 371719940 /nfs/dbraw/zinc/71/99/40/371719940.db2.gz RETMPJPMQADLFF-UHFFFAOYSA-N 2 2 260.472 2.559 50 0 CFAALP C(CCC[N@H+]1CCSC1)CC[NH+]1CCSC1 ZINC000002184742 371719949 /nfs/dbraw/zinc/71/99/49/371719949.db2.gz RETMPJPMQADLFF-UHFFFAOYSA-N 2 2 260.472 2.559 50 0 CFAALP CSc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000004453683 371857639 /nfs/dbraw/zinc/85/76/39/371857639.db2.gz YONVNBLFRADQRH-UHFFFAOYSA-N 2 2 261.394 2.785 50 0 CFAALP CC[NH+](CC)CCn1cc[nH+]c1-c1cccc(O)c1 ZINC000067756427 373999298 /nfs/dbraw/zinc/99/92/98/373999298.db2.gz ZMKBIPNELSOUGS-UHFFFAOYSA-N 2 2 259.353 2.598 50 0 CFAALP CCc1[nH]c(C[N@@H+]2CCCC[C@H]2CCOC)c(C)[nH+]1 ZINC000067772513 374001106 /nfs/dbraw/zinc/00/11/06/374001106.db2.gz PBWJYKGAYZSWDG-ZDUSSCGKSA-N 2 2 265.401 2.672 50 0 CFAALP CCc1[nH]c(C[N@H+]2CCCC[C@H]2CCOC)c(C)[nH+]1 ZINC000067772513 374001116 /nfs/dbraw/zinc/00/11/16/374001116.db2.gz PBWJYKGAYZSWDG-ZDUSSCGKSA-N 2 2 265.401 2.672 50 0 CFAALP COc1c(F)cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000067946685 374018333 /nfs/dbraw/zinc/01/83/33/374018333.db2.gz PMYYVXDYKDMEIB-MRXNPFEDSA-N 2 2 296.361 2.549 50 0 CFAALP COc1c(F)cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000067946685 374018336 /nfs/dbraw/zinc/01/83/36/374018336.db2.gz PMYYVXDYKDMEIB-MRXNPFEDSA-N 2 2 296.361 2.549 50 0 CFAALP CCc1nc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cs1 ZINC000083830327 374757409 /nfs/dbraw/zinc/75/74/09/374757409.db2.gz YIHGFOGZAIWWJI-LBPRGKRZSA-N 2 2 290.436 2.878 50 0 CFAALP COc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082097912 374726349 /nfs/dbraw/zinc/72/63/49/374726349.db2.gz LGSDAHKEYZLAHI-HNNXBMFYSA-N 2 2 285.391 2.808 50 0 CFAALP COc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082097912 374726355 /nfs/dbraw/zinc/72/63/55/374726355.db2.gz LGSDAHKEYZLAHI-HNNXBMFYSA-N 2 2 285.391 2.808 50 0 CFAALP c1ccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000084556828 374781129 /nfs/dbraw/zinc/78/11/29/374781129.db2.gz NQCQSUFEBHVVPU-KRWDZBQOSA-N 2 2 284.359 2.614 50 0 CFAALP c1ccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000084556828 374781141 /nfs/dbraw/zinc/78/11/41/374781141.db2.gz NQCQSUFEBHVVPU-KRWDZBQOSA-N 2 2 284.359 2.614 50 0 CFAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(C3CC3)n1)CCC2 ZINC000084613349 374783923 /nfs/dbraw/zinc/78/39/23/374783923.db2.gz PSSMQUNESPHNEX-LBPRGKRZSA-N 2 2 288.420 2.884 50 0 CFAALP Cc1cccn2c(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)cnc12 ZINC000089700476 374939261 /nfs/dbraw/zinc/93/92/61/374939261.db2.gz AQZHEAFRHXJOEQ-AWEZNQCLSA-N 2 2 295.390 2.506 50 0 CFAALP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCSCC1 ZINC000095988259 375464618 /nfs/dbraw/zinc/46/46/18/375464618.db2.gz DKRZSJNMPSMZEY-CQSZACIVSA-N 2 2 278.465 2.992 50 0 CFAALP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCSCC1 ZINC000095988259 375464623 /nfs/dbraw/zinc/46/46/23/375464623.db2.gz DKRZSJNMPSMZEY-CQSZACIVSA-N 2 2 278.465 2.992 50 0 CFAALP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095388073 375428095 /nfs/dbraw/zinc/42/80/95/375428095.db2.gz CWTCDHPXXZBULR-ZDUSSCGKSA-N 2 2 279.428 2.735 50 0 CFAALP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095388073 375428101 /nfs/dbraw/zinc/42/81/01/375428101.db2.gz CWTCDHPXXZBULR-ZDUSSCGKSA-N 2 2 279.428 2.735 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097159263 375531496 /nfs/dbraw/zinc/53/14/96/375531496.db2.gz SNVCCWMGLJLJAU-KRWDZBQOSA-N 2 2 298.434 2.781 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097159263 375531503 /nfs/dbraw/zinc/53/15/03/375531503.db2.gz SNVCCWMGLJLJAU-KRWDZBQOSA-N 2 2 298.434 2.781 50 0 CFAALP CC(C)c1csc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC000097243959 375544781 /nfs/dbraw/zinc/54/47/81/375544781.db2.gz NXZGSCRNCPRVQI-LLVKDONJSA-N 2 2 253.415 2.580 50 0 CFAALP CC(C)c1csc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC000097243959 375544785 /nfs/dbraw/zinc/54/47/85/375544785.db2.gz NXZGSCRNCPRVQI-LLVKDONJSA-N 2 2 253.415 2.580 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000097140108 375528826 /nfs/dbraw/zinc/52/88/26/375528826.db2.gz DTENZIZQEMKXPA-GOSISDBHSA-N 2 2 298.434 2.953 50 0 CFAALP Cn1c[nH+]cc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000112340495 375906643 /nfs/dbraw/zinc/90/66/43/375906643.db2.gz XIKARMBRPOHWEB-WDEREUQCSA-N 2 2 261.291 2.631 50 0 CFAALP C[C@@H](C[NH3+])Oc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000299769182 382044780 /nfs/dbraw/zinc/04/47/80/382044780.db2.gz LCCLKUFUTSUYCB-LBPRGKRZSA-N 2 2 291.420 2.501 50 0 CFAALP C[C@@H](C[NH3+])Oc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000299769182 382044790 /nfs/dbraw/zinc/04/47/90/382044790.db2.gz LCCLKUFUTSUYCB-LBPRGKRZSA-N 2 2 291.420 2.501 50 0 CFAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000187879287 382286485 /nfs/dbraw/zinc/28/64/85/382286485.db2.gz URLDGLUOTOXKON-UBDQQSCGSA-N 2 2 288.435 2.715 50 0 CFAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000187879287 382286490 /nfs/dbraw/zinc/28/64/90/382286490.db2.gz URLDGLUOTOXKON-UBDQQSCGSA-N 2 2 288.435 2.715 50 0 CFAALP CC(C)[NH2+]CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000193441779 382719895 /nfs/dbraw/zinc/71/98/95/382719895.db2.gz VFYBPYWPTSHAFI-KRWDZBQOSA-N 2 2 294.414 2.569 50 0 CFAALP CC(C)[NH2+]CC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000193483542 382720201 /nfs/dbraw/zinc/72/02/01/382720201.db2.gz INBQMVHICFJJQM-UHFFFAOYSA-N 2 2 294.414 2.805 50 0 CFAALP COc1cc2c(cc1C[N@H+](C)CCn1cc[nH+]c1)CCC2 ZINC000215874485 382780952 /nfs/dbraw/zinc/78/09/52/382780952.db2.gz GKBSFHRDAQBWER-UHFFFAOYSA-N 2 2 285.391 2.512 50 0 CFAALP COc1cc2c(cc1C[N@@H+](C)CCn1cc[nH+]c1)CCC2 ZINC000215874485 382780953 /nfs/dbraw/zinc/78/09/53/382780953.db2.gz GKBSFHRDAQBWER-UHFFFAOYSA-N 2 2 285.391 2.512 50 0 CFAALP CCS[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000233842562 382872351 /nfs/dbraw/zinc/87/23/51/382872351.db2.gz ATQCPKJYYGGPLX-OLZOCXBDSA-N 2 2 253.415 2.537 50 0 CFAALP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(Cl)s1)C2 ZINC000426490692 383402973 /nfs/dbraw/zinc/40/29/73/383402973.db2.gz XEZBGJUBTPSFEM-GDGBQDQQSA-N 2 2 256.802 2.571 50 0 CFAALP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(Cl)s1)C2 ZINC000426490692 383402977 /nfs/dbraw/zinc/40/29/77/383402977.db2.gz XEZBGJUBTPSFEM-GDGBQDQQSA-N 2 2 256.802 2.571 50 0 CFAALP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1C ZINC000261950880 383583835 /nfs/dbraw/zinc/58/38/35/383583835.db2.gz FYCOWUFFGMNIPM-ZFWWWQNUSA-N 2 2 262.397 2.705 50 0 CFAALP COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1C ZINC000261950880 383583840 /nfs/dbraw/zinc/58/38/40/383583840.db2.gz FYCOWUFFGMNIPM-ZFWWWQNUSA-N 2 2 262.397 2.705 50 0 CFAALP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1C ZINC000261950879 383584837 /nfs/dbraw/zinc/58/48/37/383584837.db2.gz FYCOWUFFGMNIPM-UKRRQHHQSA-N 2 2 262.397 2.705 50 0 CFAALP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1C ZINC000261950879 383584840 /nfs/dbraw/zinc/58/48/40/383584840.db2.gz FYCOWUFFGMNIPM-UKRRQHHQSA-N 2 2 262.397 2.705 50 0 CFAALP c1ccc(N2CC[C@H](Nc3[nH]c4ccccc4[nH+]3)C2)[nH+]c1 ZINC000270562994 385147020 /nfs/dbraw/zinc/14/70/20/385147020.db2.gz KGMJTUYAKWUMRU-LBPRGKRZSA-N 2 2 279.347 2.649 50 0 CFAALP Cc1[nH+]cn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000284166098 385543687 /nfs/dbraw/zinc/54/36/87/385543687.db2.gz QLMUVUDXBYDORH-SFHVURJKSA-N 2 2 299.418 2.791 50 0 CFAALP Cc1[nH+]cn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000284166098 385543689 /nfs/dbraw/zinc/54/36/89/385543689.db2.gz QLMUVUDXBYDORH-SFHVURJKSA-N 2 2 299.418 2.791 50 0 CFAALP C[N@@H+]1CCO[C@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000286386690 385605371 /nfs/dbraw/zinc/60/53/71/385605371.db2.gz SUHBTGHAMRNUJF-LLVKDONJSA-N 2 2 291.782 2.631 50 0 CFAALP C[N@H+]1CCO[C@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000286386690 385605374 /nfs/dbraw/zinc/60/53/74/385605374.db2.gz SUHBTGHAMRNUJF-LLVKDONJSA-N 2 2 291.782 2.631 50 0 CFAALP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218954542 393759334 /nfs/dbraw/zinc/75/93/34/393759334.db2.gz OTLSLQGKRZCMHJ-IJLUTSLNSA-N 2 2 264.335 2.791 50 0 CFAALP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218954542 393759337 /nfs/dbraw/zinc/75/93/37/393759337.db2.gz OTLSLQGKRZCMHJ-IJLUTSLNSA-N 2 2 264.335 2.791 50 0 CFAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000246047039 393844671 /nfs/dbraw/zinc/84/46/71/393844671.db2.gz SXFNDTUCIGICGY-HWWDLCQESA-N 2 2 298.434 2.656 50 0 CFAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000246047039 393844673 /nfs/dbraw/zinc/84/46/73/393844673.db2.gz SXFNDTUCIGICGY-HWWDLCQESA-N 2 2 298.434 2.656 50 0 CFAALP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c(C)c1OC ZINC000285505108 394144068 /nfs/dbraw/zinc/14/40/68/394144068.db2.gz CWGVSYQKLXROQL-CYBMUJFWSA-N 2 2 289.379 2.560 50 0 CFAALP CC[NH+](CC)CCNc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000005686321 170129029 /nfs/dbraw/zinc/12/90/29/170129029.db2.gz UQTXYSJOFDTZTQ-UHFFFAOYSA-N 2 2 266.776 2.970 50 0 CFAALP CC[NH+](CC)CCNc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC000005686321 170129031 /nfs/dbraw/zinc/12/90/31/170129031.db2.gz UQTXYSJOFDTZTQ-UHFFFAOYSA-N 2 2 266.776 2.970 50 0 CFAALP C[NH+](C)[C@@H](CNC1=[NH+]CCCCC1)c1ccccc1 ZINC000006007386 170167607 /nfs/dbraw/zinc/16/76/07/170167607.db2.gz FLUIRLDNBZKMGV-HNNXBMFYSA-N 2 2 259.397 2.851 50 0 CFAALP [NH3+][C@H](Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000022565260 171391763 /nfs/dbraw/zinc/39/17/63/171391763.db2.gz RWIKDCPUOUODDK-LLVKDONJSA-N 2 2 255.243 2.602 50 0 CFAALP Brc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946205 175387974 /nfs/dbraw/zinc/38/79/74/175387974.db2.gz KSYCFJGJMBEEFE-UHFFFAOYSA-N 2 2 280.169 2.505 50 0 CFAALP Brc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946205 175387975 /nfs/dbraw/zinc/38/79/75/175387975.db2.gz KSYCFJGJMBEEFE-UHFFFAOYSA-N 2 2 280.169 2.505 50 0 CFAALP CCS[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000239527650 276401034 /nfs/dbraw/zinc/40/10/34/276401034.db2.gz ATQCPKJYYGGPLX-STQMWFEESA-N 2 2 253.415 2.537 50 0 CFAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000191986239 324056188 /nfs/dbraw/zinc/05/61/88/324056188.db2.gz VBFHZDZELVOTAN-HNNXBMFYSA-N 2 2 285.391 2.792 50 0 CFAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000191986239 324056191 /nfs/dbraw/zinc/05/61/91/324056191.db2.gz VBFHZDZELVOTAN-HNNXBMFYSA-N 2 2 285.391 2.792 50 0 CFAALP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000019871915 521001561 /nfs/dbraw/zinc/00/15/61/521001561.db2.gz FGZGKHUZFAYJGU-HNNXBMFYSA-N 2 2 262.397 2.659 50 0 CFAALP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000019871915 521001568 /nfs/dbraw/zinc/00/15/68/521001568.db2.gz FGZGKHUZFAYJGU-HNNXBMFYSA-N 2 2 262.397 2.659 50 0 CFAALP Cc1nc(NCC2CC[NH+](C3CCCC3)CC2)cc[nH+]1 ZINC000952965820 650790108 /nfs/dbraw/zinc/79/01/08/650790108.db2.gz CEDCGHSHOKPYHL-UHFFFAOYSA-N 2 2 274.412 2.852 50 0 CFAALP Cc1cc(C[NH2+]CCc2[nH+]ccn2C)ccc1Cl ZINC000096002085 185062282 /nfs/dbraw/zinc/06/22/82/185062282.db2.gz XDWPFMUQYRUSHX-UHFFFAOYSA-N 2 2 263.772 2.714 50 0 CFAALP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000096871890 185119266 /nfs/dbraw/zinc/11/92/66/185119266.db2.gz ZPXFIKHSCLGQCT-UHFFFAOYSA-N 2 2 279.771 2.725 50 0 CFAALP Cn1c[nH+]cc1CNC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000109077215 186242609 /nfs/dbraw/zinc/24/26/09/186242609.db2.gz AYGBJTKJTBRPPA-MRXNPFEDSA-N 2 2 290.455 2.554 50 0 CFAALP Cn1c[nH+]cc1CNC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000109077215 186242610 /nfs/dbraw/zinc/24/26/10/186242610.db2.gz AYGBJTKJTBRPPA-MRXNPFEDSA-N 2 2 290.455 2.554 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000630061462 354994164 /nfs/dbraw/zinc/99/41/64/354994164.db2.gz XMVJMJIRVMEINJ-CMPLNLGQSA-N 2 2 279.334 2.978 50 0 CFAALP Cc1[nH+]cc(CNC[C@H](C)[N@H+](C)C2CC2)n1-c1ccccc1 ZINC000084022219 540191991 /nfs/dbraw/zinc/19/19/91/540191991.db2.gz AZIMCQWASXGDAX-AWEZNQCLSA-N 2 2 298.434 2.753 50 0 CFAALP Cc1[nH+]cc(CNC[C@H](C)[N@@H+](C)C2CC2)n1-c1ccccc1 ZINC000084022219 540191993 /nfs/dbraw/zinc/19/19/93/540191993.db2.gz AZIMCQWASXGDAX-AWEZNQCLSA-N 2 2 298.434 2.753 50 0 CFAALP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000670443398 540996263 /nfs/dbraw/zinc/99/62/63/540996263.db2.gz SRKIIWXAYUQUBV-CQSZACIVSA-N 2 2 286.379 2.583 50 0 CFAALP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000670443398 540996265 /nfs/dbraw/zinc/99/62/65/540996265.db2.gz SRKIIWXAYUQUBV-CQSZACIVSA-N 2 2 286.379 2.583 50 0 CFAALP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000670443396 540996393 /nfs/dbraw/zinc/99/63/93/540996393.db2.gz SRKIIWXAYUQUBV-AWEZNQCLSA-N 2 2 286.379 2.583 50 0 CFAALP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000670443396 540996395 /nfs/dbraw/zinc/99/63/95/540996395.db2.gz SRKIIWXAYUQUBV-AWEZNQCLSA-N 2 2 286.379 2.583 50 0 CFAALP Brc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000034778549 372514250 /nfs/dbraw/zinc/51/42/50/372514250.db2.gz ZPJHYCJWBVKEEF-UHFFFAOYSA-N 2 2 294.196 2.826 50 0 CFAALP Cc1n[nH]cc1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036901564 372608592 /nfs/dbraw/zinc/60/85/92/372608592.db2.gz DPKYPWJMZHMYFJ-KRWDZBQOSA-N 2 2 284.407 2.645 50 0 CFAALP COc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037089738 372647292 /nfs/dbraw/zinc/64/72/92/372647292.db2.gz PLEAWPZYQXMBFZ-NSHDSACASA-N 2 2 266.360 2.579 50 0 CFAALP CC[C@H](CO)[N@H+](Cc1c[nH+]c(C)[nH]1)Cc1cccs1 ZINC000055036630 373534502 /nfs/dbraw/zinc/53/45/02/373534502.db2.gz LMHCCVACGHJVLI-CYBMUJFWSA-N 2 2 279.409 2.553 50 0 CFAALP CC[C@H](CO)[N@@H+](Cc1c[nH+]c(C)[nH]1)Cc1cccs1 ZINC000055036630 373534507 /nfs/dbraw/zinc/53/45/07/373534507.db2.gz LMHCCVACGHJVLI-CYBMUJFWSA-N 2 2 279.409 2.553 50 0 CFAALP CC[N@@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCCC3)CC2)C1 ZINC000065381895 373861106 /nfs/dbraw/zinc/86/11/06/373861106.db2.gz WCOBHBJVUXGATQ-QGZVFWFLSA-N 3 2 293.499 2.715 50 0 CFAALP CC[N@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCCC3)CC2)C1 ZINC000065381895 373861118 /nfs/dbraw/zinc/86/11/18/373861118.db2.gz WCOBHBJVUXGATQ-QGZVFWFLSA-N 3 2 293.499 2.715 50 0 CFAALP Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)oc1C ZINC000065454383 373873466 /nfs/dbraw/zinc/87/34/66/373873466.db2.gz VAVKVIYOOKTAOB-CQSZACIVSA-N 2 2 286.379 2.620 50 0 CFAALP Cc1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)oc1C ZINC000065454383 373873475 /nfs/dbraw/zinc/87/34/75/373873475.db2.gz VAVKVIYOOKTAOB-CQSZACIVSA-N 2 2 286.379 2.620 50 0 CFAALP Nc1cc[nH+]c(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000072434891 374253734 /nfs/dbraw/zinc/25/37/34/374253734.db2.gz FJBMCAPAETYHKC-AWEZNQCLSA-N 2 2 289.427 2.515 50 0 CFAALP Nc1cc[nH+]c(N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000072434891 374253741 /nfs/dbraw/zinc/25/37/41/374253741.db2.gz FJBMCAPAETYHKC-AWEZNQCLSA-N 2 2 289.427 2.515 50 0 CFAALP Cc1nc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000082096542 374725958 /nfs/dbraw/zinc/72/59/58/374725958.db2.gz QILBUBAOMYMIND-GFCCVEGCSA-N 2 2 276.409 2.565 50 0 CFAALP Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000082096542 374725961 /nfs/dbraw/zinc/72/59/61/374725961.db2.gz QILBUBAOMYMIND-GFCCVEGCSA-N 2 2 276.409 2.565 50 0 CFAALP Cc1cccc(-c2[nH+]c(CC[NH3+])n3ccccc23)c1 ZINC000084588763 374783039 /nfs/dbraw/zinc/78/30/39/374783039.db2.gz FBZDNGAWPXTRCG-UHFFFAOYSA-N 2 2 251.333 2.811 50 0 CFAALP Oc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812826 375158995 /nfs/dbraw/zinc/15/89/95/375158995.db2.gz FVZXIMHQGKPNBA-OAHLLOKOSA-N 2 2 283.375 2.721 50 0 CFAALP Oc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812826 375158999 /nfs/dbraw/zinc/15/89/99/375158999.db2.gz FVZXIMHQGKPNBA-OAHLLOKOSA-N 2 2 283.375 2.721 50 0 CFAALP Cc1cc(N2CCN(c3cc[nH+]cc3F)CC2)cc(C)[nH+]1 ZINC000095522279 375461856 /nfs/dbraw/zinc/46/18/56/375461856.db2.gz XFDHBIQJDWAIHK-UHFFFAOYSA-N 2 2 286.354 2.559 50 0 CFAALP Cc1cc(CNC(=O)CCC[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000095356532 375419527 /nfs/dbraw/zinc/41/95/27/375419527.db2.gz VAPBACQDODMXDL-UHFFFAOYSA-N 2 2 289.423 2.581 50 0 CFAALP Cc1ccccc1C[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000095419096 375438765 /nfs/dbraw/zinc/43/87/65/375438765.db2.gz LRMBTUCSRKSKKT-OAHLLOKOSA-N 2 2 257.381 2.802 50 0 CFAALP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095420553 375440744 /nfs/dbraw/zinc/44/07/44/375440744.db2.gz UQYILAFGXZGSKJ-RDTXWAMCSA-N 2 2 298.434 2.863 50 0 CFAALP CC(C)c1nc(C[N@H+](C)CCCc2[nH+]ccn2C)co1 ZINC000097636476 375575086 /nfs/dbraw/zinc/57/50/86/375575086.db2.gz LKWPGGODMFFQGO-UHFFFAOYSA-N 2 2 276.384 2.596 50 0 CFAALP CC(C)c1nc(C[N@@H+](C)CCCc2[nH+]ccn2C)co1 ZINC000097636476 375575092 /nfs/dbraw/zinc/57/50/92/375575092.db2.gz LKWPGGODMFFQGO-UHFFFAOYSA-N 2 2 276.384 2.596 50 0 CFAALP Cc1cccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000157995050 378662662 /nfs/dbraw/zinc/66/26/62/378662662.db2.gz HOWORNQVRLHNIS-TZMCWYRMSA-N 2 2 256.353 2.674 50 0 CFAALP CCS[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000190034798 382651091 /nfs/dbraw/zinc/65/10/91/382651091.db2.gz WUQVNBKGUMLCDU-QWHCGFSZSA-N 2 2 253.415 2.537 50 0 CFAALP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)o1 ZINC000216122627 382782054 /nfs/dbraw/zinc/78/20/54/382782054.db2.gz HUDSTUFWKDTTAP-HNNXBMFYSA-N 2 2 256.349 2.788 50 0 CFAALP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)o1 ZINC000216122627 382782057 /nfs/dbraw/zinc/78/20/57/382782057.db2.gz HUDSTUFWKDTTAP-HNNXBMFYSA-N 2 2 256.349 2.788 50 0 CFAALP C[N@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2cccc3ncccc23)C1 ZINC000216308538 382782956 /nfs/dbraw/zinc/78/29/56/382782956.db2.gz OMEIFLXKTGCPAW-GOEBONIOSA-N 2 2 281.403 2.761 50 0 CFAALP C[N@@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2cccc3ncccc23)C1 ZINC000216308538 382782958 /nfs/dbraw/zinc/78/29/58/382782958.db2.gz OMEIFLXKTGCPAW-GOEBONIOSA-N 2 2 281.403 2.761 50 0 CFAALP C[NH+]1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc3ncccc23)C1 ZINC000216308538 382782959 /nfs/dbraw/zinc/78/29/59/382782959.db2.gz OMEIFLXKTGCPAW-GOEBONIOSA-N 2 2 281.403 2.761 50 0 CFAALP C[NH+]1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000216308538 382782961 /nfs/dbraw/zinc/78/29/61/382782961.db2.gz OMEIFLXKTGCPAW-GOEBONIOSA-N 2 2 281.403 2.761 50 0 CFAALP Cc1[nH+]ccn1C[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000225597169 382818933 /nfs/dbraw/zinc/81/89/33/382818933.db2.gz YYRQMOOKWCSNJS-CYBMUJFWSA-N 2 2 281.363 2.737 50 0 CFAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000252513072 383416364 /nfs/dbraw/zinc/41/63/64/383416364.db2.gz XDMCTKREUFRIEM-NVXWUHKLSA-N 2 2 290.451 2.505 50 0 CFAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000252513072 383416367 /nfs/dbraw/zinc/41/63/67/383416367.db2.gz XDMCTKREUFRIEM-NVXWUHKLSA-N 2 2 290.451 2.505 50 0 CFAALP CCc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000252481596 383411506 /nfs/dbraw/zinc/41/15/06/383411506.db2.gz COYFQBKHCVHTAC-AWEZNQCLSA-N 2 2 270.380 2.747 50 0 CFAALP CCc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000252481596 383411509 /nfs/dbraw/zinc/41/15/09/383411509.db2.gz COYFQBKHCVHTAC-AWEZNQCLSA-N 2 2 270.380 2.747 50 0 CFAALP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1n1cc[nH+]c1 ZINC000252802296 383435950 /nfs/dbraw/zinc/43/59/50/383435950.db2.gz LBUXPBUYIHWUKQ-RHSMWYFYSA-N 2 2 297.402 2.901 50 0 CFAALP c1cn(-c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)cc2)c[nH+]1 ZINC000245338713 131085663 /nfs/dbraw/zinc/08/56/63/131085663.db2.gz NZJMBOSCGSHZHF-SJORKVTESA-N 2 2 283.375 2.626 50 0 CFAALP c1cn(-c2ccc(C[N@H+]3CCO[C@H]4CCC[C@H]43)cc2)c[nH+]1 ZINC000245338713 131085664 /nfs/dbraw/zinc/08/56/64/131085664.db2.gz NZJMBOSCGSHZHF-SJORKVTESA-N 2 2 283.375 2.626 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccs1)CCC2 ZINC000089702136 393769129 /nfs/dbraw/zinc/76/91/29/393769129.db2.gz RAHFEHQTRYLIBR-LBPRGKRZSA-N 2 2 261.394 2.920 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCSCC1)CCC2 ZINC000095402075 393811571 /nfs/dbraw/zinc/81/15/71/393811571.db2.gz FJGVTKZCEHVHIB-LBPRGKRZSA-N 2 2 265.426 2.554 50 0 CFAALP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(Br)c1 ZINC000095973511 393814758 /nfs/dbraw/zinc/81/47/58/393814758.db2.gz UQPLYSMFHBAGKA-UHFFFAOYSA-N 2 2 297.240 2.941 50 0 CFAALP [NH3+]C[C@H]1CC[N@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000426359644 397573349 /nfs/dbraw/zinc/57/33/49/397573349.db2.gz OYIJVTWKBPOEKC-SNVBAGLBSA-N 2 2 263.772 2.602 50 0 CFAALP [NH3+]C[C@H]1CC[N@@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000426359644 397573354 /nfs/dbraw/zinc/57/33/54/397573354.db2.gz OYIJVTWKBPOEKC-SNVBAGLBSA-N 2 2 263.772 2.602 50 0 CFAALP Cc1nc(NCC(C)(C)[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC000670452477 570400454 /nfs/dbraw/zinc/40/04/54/570400454.db2.gz IZVXCOHBWMLMPY-UHFFFAOYSA-N 2 2 262.401 2.688 50 0 CFAALP CCc1[nH+]ccn1CCC[NH2+]Cc1cccc(O)c1Cl ZINC000952972457 615777416 /nfs/dbraw/zinc/77/74/16/615777416.db2.gz PKDRUEMUYDLSOV-UHFFFAOYSA-N 2 2 293.798 2.984 50 0 CFAALP CC(C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000097034560 185157288 /nfs/dbraw/zinc/15/72/88/185157288.db2.gz WTQCVHIUEUJMEY-OAHLLOKOSA-N 2 2 276.424 2.884 50 0 CFAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nccn2C)cc1 ZINC000086279432 179263062 /nfs/dbraw/zinc/26/30/62/179263062.db2.gz YDPQVJPFZFQMFT-CYBMUJFWSA-N 2 2 295.390 2.765 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](CO)c1ccccc1 ZINC000170593120 348055159 /nfs/dbraw/zinc/05/51/59/348055159.db2.gz FHVRVJRDUPUABC-QGZVFWFLSA-N 2 2 295.386 2.668 50 0 CFAALP CC(C)(C)CC[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000187656336 348131037 /nfs/dbraw/zinc/13/10/37/348131037.db2.gz SILIIGFXBGNUKL-UHFFFAOYSA-N 2 2 258.369 2.793 50 0 CFAALP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC000584884368 348726507 /nfs/dbraw/zinc/72/65/07/348726507.db2.gz HDDDADWSBOUWOE-CQSZACIVSA-N 2 2 293.842 2.603 50 0 CFAALP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC000584884368 348726511 /nfs/dbraw/zinc/72/65/11/348726511.db2.gz HDDDADWSBOUWOE-CQSZACIVSA-N 2 2 293.842 2.603 50 0 CFAALP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CSCCSC1 ZINC000584901942 348733075 /nfs/dbraw/zinc/73/30/75/348733075.db2.gz DKQVSNNWNCZKEL-BETUJISGSA-N 2 2 288.526 2.688 50 0 CFAALP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CSCCSC1 ZINC000584901942 348733080 /nfs/dbraw/zinc/73/30/80/348733080.db2.gz DKQVSNNWNCZKEL-BETUJISGSA-N 2 2 288.526 2.688 50 0 CFAALP Cc1c(F)cccc1C[NH+]1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000091486974 180167783 /nfs/dbraw/zinc/16/77/83/180167783.db2.gz PUGWTLWOMKPPEA-DZGCQCFKSA-N 2 2 262.372 2.660 50 0 CFAALP Cc1c(F)cccc1C[NH+]1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000091486974 180167785 /nfs/dbraw/zinc/16/77/85/180167785.db2.gz PUGWTLWOMKPPEA-DZGCQCFKSA-N 2 2 262.372 2.660 50 0 CFAALP Cc1c(F)cccc1C[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](C)C2 ZINC000091486974 180167787 /nfs/dbraw/zinc/16/77/87/180167787.db2.gz PUGWTLWOMKPPEA-DZGCQCFKSA-N 2 2 262.372 2.660 50 0 CFAALP Cc1c(F)cccc1C[N@H+]1C[C@H]2CC[C@@H]1C[NH+](C)C2 ZINC000091486974 180167788 /nfs/dbraw/zinc/16/77/88/180167788.db2.gz PUGWTLWOMKPPEA-DZGCQCFKSA-N 2 2 262.372 2.660 50 0 CFAALP Cc1nc(C[NH+]2CCC(c3[nH+]ccn3C)CC2)cs1 ZINC000091906851 180284390 /nfs/dbraw/zinc/28/43/90/180284390.db2.gz SCQZQAXJOJXDMR-UHFFFAOYSA-N 2 2 276.409 2.565 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000630061464 354994324 /nfs/dbraw/zinc/99/43/24/354994324.db2.gz XMVJMJIRVMEINJ-PWSUYJOCSA-N 2 2 279.334 2.978 50 0 CFAALP Cc1nc(C)c(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)s1 ZINC000084062482 540192688 /nfs/dbraw/zinc/19/26/88/540192688.db2.gz DCAZKJMSNNYITK-GFCCVEGCSA-N 2 2 276.409 2.624 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCSCC1 ZINC000585093621 540462127 /nfs/dbraw/zinc/46/21/27/540462127.db2.gz OTEVTGFFNBMIMD-CQSZACIVSA-N 2 2 250.411 2.808 50 0 CFAALP CCc1[nH+]ccn1C[C@@H](C)[NH+]1CC(Oc2ccc(C)cc2)C1 ZINC000670438598 540995427 /nfs/dbraw/zinc/99/54/27/540995427.db2.gz ZZJGSWQSCNUFIQ-OAHLLOKOSA-N 2 2 299.418 2.906 50 0 CFAALP C[C@H]1C[NH+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000019636610 372179124 /nfs/dbraw/zinc/17/91/24/372179124.db2.gz FWYRCAYEZAECOT-HOTGVXAUSA-N 2 2 288.435 2.760 50 0 CFAALP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000022936404 372248348 /nfs/dbraw/zinc/24/83/48/372248348.db2.gz YAMQVRDTOKUMFQ-HNNXBMFYSA-N 2 2 262.397 2.659 50 0 CFAALP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)c1 ZINC000022936404 372248356 /nfs/dbraw/zinc/24/83/56/372248356.db2.gz YAMQVRDTOKUMFQ-HNNXBMFYSA-N 2 2 262.397 2.659 50 0 CFAALP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000032740398 372457394 /nfs/dbraw/zinc/45/73/94/372457394.db2.gz IBNXUPVVDGCGTB-UHFFFAOYSA-N 3 2 298.434 2.835 50 0 CFAALP Nc1[nH+]c2cc(Cl)ccc2n1CCCn1cc[nH+]c1 ZINC000036889606 372606303 /nfs/dbraw/zinc/60/63/03/372606303.db2.gz UTMYQTYKDWLZJM-UHFFFAOYSA-N 2 2 275.743 2.559 50 0 CFAALP Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)nc(C)[nH+]1 ZINC000052185359 373442594 /nfs/dbraw/zinc/44/25/94/373442594.db2.gz BFVPXKSMDPXABY-UHFFFAOYSA-N 2 2 283.379 2.569 50 0 CFAALP C[N@@H+]1CCC[C@H]1CCn1cc[nH+]c1-c1ccc2nonc2c1 ZINC000067673490 373990463 /nfs/dbraw/zinc/99/04/63/373990463.db2.gz PXOYEIHSQKCXMT-ZDUSSCGKSA-N 2 2 297.362 2.571 50 0 CFAALP C[N@H+]1CCC[C@H]1CCn1cc[nH+]c1-c1ccc2nonc2c1 ZINC000067673490 373990468 /nfs/dbraw/zinc/99/04/68/373990468.db2.gz PXOYEIHSQKCXMT-ZDUSSCGKSA-N 2 2 297.362 2.571 50 0 CFAALP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)n1cccn1 ZINC000069349723 374055622 /nfs/dbraw/zinc/05/56/22/374055622.db2.gz BGSKIYDTVOUFFD-GJZGRUSLSA-N 2 2 295.390 2.808 50 0 CFAALP CC(C)c1nccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)n1 ZINC000071768046 374221480 /nfs/dbraw/zinc/22/14/80/374221480.db2.gz YJSFGBBZBDKMSK-HNNXBMFYSA-N 2 2 299.422 2.709 50 0 CFAALP CC(C)c1nccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)n1 ZINC000071768046 374221490 /nfs/dbraw/zinc/22/14/90/374221490.db2.gz YJSFGBBZBDKMSK-HNNXBMFYSA-N 2 2 299.422 2.709 50 0 CFAALP COCCC[N@H+](Cc1cccs1)C1CC[NH+](C)CC1 ZINC000072453983 374254023 /nfs/dbraw/zinc/25/40/23/374254023.db2.gz CVEXVMJAUPUIMC-UHFFFAOYSA-N 2 2 282.453 2.681 50 0 CFAALP COCCC[N@@H+](Cc1cccs1)C1CC[NH+](C)CC1 ZINC000072453983 374254027 /nfs/dbraw/zinc/25/40/27/374254027.db2.gz CVEXVMJAUPUIMC-UHFFFAOYSA-N 2 2 282.453 2.681 50 0 CFAALP c1cn(-c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)cc2)c[nH+]1 ZINC000079354368 374606129 /nfs/dbraw/zinc/60/61/29/374606129.db2.gz NZJMBOSCGSHZHF-IRXDYDNUSA-N 2 2 283.375 2.626 50 0 CFAALP c1cn(-c2ccc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)cc2)c[nH+]1 ZINC000079354368 374606134 /nfs/dbraw/zinc/60/61/34/374606134.db2.gz NZJMBOSCGSHZHF-IRXDYDNUSA-N 2 2 283.375 2.626 50 0 CFAALP CC(C)c1noc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000089893624 374965172 /nfs/dbraw/zinc/96/51/72/374965172.db2.gz HRNCQFHZFBZDRX-NEPJUHHUSA-N 2 2 289.383 2.618 50 0 CFAALP Cc1[nH]c(CN[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH+]c1C ZINC000571582473 383707432 /nfs/dbraw/zinc/70/74/32/383707432.db2.gz RXBOEUSTQFMURB-WMLDXEAASA-N 2 2 286.423 2.808 50 0 CFAALP CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCc3[nH+]c[nH]c3C1)=CC2 ZINC000095360867 375419714 /nfs/dbraw/zinc/41/97/14/375419714.db2.gz LIDMHWXJGFMIKW-STQMWFEESA-N 2 2 257.381 2.760 50 0 CFAALP CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCc3[nH+]c[nH]c3C1)=CC2 ZINC000095360867 375419717 /nfs/dbraw/zinc/41/97/17/375419717.db2.gz LIDMHWXJGFMIKW-STQMWFEESA-N 2 2 257.381 2.760 50 0 CFAALP C[C@H]([NH2+]CCCn1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095419831 375440403 /nfs/dbraw/zinc/44/04/03/375440403.db2.gz RTGFQMRXFWODJT-HNNXBMFYSA-N 2 2 295.390 2.810 50 0 CFAALP COc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000095428239 375443141 /nfs/dbraw/zinc/44/31/41/375443141.db2.gz CGMWEOFMOUMJDL-KRWDZBQOSA-N 2 2 284.359 2.744 50 0 CFAALP COc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000095428239 375443147 /nfs/dbraw/zinc/44/31/47/375443147.db2.gz CGMWEOFMOUMJDL-KRWDZBQOSA-N 2 2 284.359 2.744 50 0 CFAALP CC(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000097238350 375545407 /nfs/dbraw/zinc/54/54/07/375545407.db2.gz PIAUWTBQNUPLCJ-INIZCTEOSA-N 2 2 296.842 2.836 50 0 CFAALP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000170607499 379126166 /nfs/dbraw/zinc/12/61/66/379126166.db2.gz VHHKUNNWRMAQFJ-GMXVVIOVSA-N 2 2 291.424 2.687 50 0 CFAALP Cc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000170607499 379126172 /nfs/dbraw/zinc/12/61/72/379126172.db2.gz VHHKUNNWRMAQFJ-GMXVVIOVSA-N 2 2 291.424 2.687 50 0 CFAALP Clc1c[nH+]ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000176753314 380270821 /nfs/dbraw/zinc/27/08/21/380270821.db2.gz WVQWAIHXBPLMAG-UHFFFAOYSA-N 2 2 277.755 2.650 50 0 CFAALP Fc1cc(F)cc(C2CC([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000377546920 382289236 /nfs/dbraw/zinc/28/92/36/382289236.db2.gz BNLKCGUKEPSOKE-UHFFFAOYSA-N 2 2 277.318 2.697 50 0 CFAALP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)o1 ZINC000215233941 382778019 /nfs/dbraw/zinc/77/80/19/382778019.db2.gz PHKULUXAICREMB-AWEZNQCLSA-N 2 2 256.349 2.788 50 0 CFAALP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)o1 ZINC000215233941 382778022 /nfs/dbraw/zinc/77/80/22/382778022.db2.gz PHKULUXAICREMB-AWEZNQCLSA-N 2 2 256.349 2.788 50 0 CFAALP CC(C)c1nc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)co1 ZINC000215502977 382779289 /nfs/dbraw/zinc/77/92/89/382779289.db2.gz PAFXKMALTSBQES-ZDUSSCGKSA-N 2 2 288.395 2.911 50 0 CFAALP CC(C)c1nc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)co1 ZINC000215502977 382779290 /nfs/dbraw/zinc/77/92/90/382779290.db2.gz PAFXKMALTSBQES-ZDUSSCGKSA-N 2 2 288.395 2.911 50 0 CFAALP [NH3+][C@H]1CC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000215647242 382779570 /nfs/dbraw/zinc/77/95/70/382779570.db2.gz WOHRPWZNUCJABI-AWEZNQCLSA-N 2 2 260.381 2.541 50 0 CFAALP [NH3+][C@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000215647242 382779571 /nfs/dbraw/zinc/77/95/71/382779571.db2.gz WOHRPWZNUCJABI-AWEZNQCLSA-N 2 2 260.381 2.541 50 0 CFAALP CC[N@@H+]1CCC[C@H](C[NH+]2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564445 382779650 /nfs/dbraw/zinc/77/96/50/382779650.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 2 2 290.455 2.623 50 0 CFAALP CC[N@H+]1CCC[C@H](C[NH+]2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564445 382779652 /nfs/dbraw/zinc/77/96/52/382779652.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 2 2 290.455 2.623 50 0 CFAALP CC[NH+]1CCC[C@H](C[N@@H+]2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564445 382779653 /nfs/dbraw/zinc/77/96/53/382779653.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 2 2 290.455 2.623 50 0 CFAALP CC[NH+]1CCC[C@H](C[N@H+]2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564445 382779655 /nfs/dbraw/zinc/77/96/55/382779655.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 2 2 290.455 2.623 50 0 CFAALP CC[N@@H+]1CCC[C@H](C[NH+]2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564445 382779656 /nfs/dbraw/zinc/77/96/56/382779656.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 2 2 290.455 2.623 50 0 CFAALP CC[N@H+]1CCC[C@H](C[NH+]2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564445 382779657 /nfs/dbraw/zinc/77/96/57/382779657.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 2 2 290.455 2.623 50 0 CFAALP CC[NH+]1CCC[C@H](C[N@@H+]2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564445 382779659 /nfs/dbraw/zinc/77/96/59/382779659.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 2 2 290.455 2.623 50 0 CFAALP CC[NH+]1CCC[C@H](C[N@H+]2CCc3n[nH]c(C(C)C)c3C2)C1 ZINC000215564445 382779661 /nfs/dbraw/zinc/77/96/61/382779661.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 2 2 290.455 2.623 50 0 CFAALP CCS[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000233985566 382872266 /nfs/dbraw/zinc/87/22/66/382872266.db2.gz ATQCPKJYYGGPLX-QWHCGFSZSA-N 2 2 253.415 2.537 50 0 CFAALP Cc1ncsc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247280106 383159483 /nfs/dbraw/zinc/15/94/83/383159483.db2.gz YNSNXIOEDSJHRC-YPMHNXCESA-N 2 2 276.409 2.731 50 0 CFAALP Cc1ncsc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247280106 383159489 /nfs/dbraw/zinc/15/94/89/383159489.db2.gz YNSNXIOEDSJHRC-YPMHNXCESA-N 2 2 276.409 2.731 50 0 CFAALP Cc1cc(-c2ccccc2)nc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC000252487796 383412751 /nfs/dbraw/zinc/41/27/51/383412751.db2.gz IBSCGOBDCDGGSL-INIZCTEOSA-N 2 2 296.418 2.765 50 0 CFAALP Cc1cc(-c2ccccc2)nc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC000252487796 383412755 /nfs/dbraw/zinc/41/27/55/383412755.db2.gz IBSCGOBDCDGGSL-INIZCTEOSA-N 2 2 296.418 2.765 50 0 CFAALP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000574531270 384112875 /nfs/dbraw/zinc/11/28/75/384112875.db2.gz OIKHKCASVIIHEL-AWEZNQCLSA-N 2 2 280.375 2.931 50 0 CFAALP CC(C)n1cc[nH+]c1CN(C)C[C@@H](C)C[NH+]1CCCC1 ZINC000219772267 393760417 /nfs/dbraw/zinc/76/04/17/393760417.db2.gz YSKMSRYTDYWEAS-OAHLLOKOSA-N 2 2 278.444 2.628 50 0 CFAALP Fc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959208 393728986 /nfs/dbraw/zinc/72/89/86/393728986.db2.gz YFZXRQCAYFYJIV-CYBMUJFWSA-N 2 2 259.328 2.928 50 0 CFAALP CN(Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020450748 171207750 /nfs/dbraw/zinc/20/77/50/171207750.db2.gz FCWDODNSRRTYAU-QGZVFWFLSA-N 2 2 298.434 2.549 50 0 CFAALP CN(Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020450748 171207753 /nfs/dbraw/zinc/20/77/53/171207753.db2.gz FCWDODNSRRTYAU-QGZVFWFLSA-N 2 2 298.434 2.549 50 0 CFAALP C[NH+]1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000023280862 171418845 /nfs/dbraw/zinc/41/88/45/171418845.db2.gz SNWMCLVRNCHXCX-UHFFFAOYSA-N 2 2 283.213 2.633 50 0 CFAALP CC(C)c1nnsc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000072125413 176320502 /nfs/dbraw/zinc/32/05/02/176320502.db2.gz FFKQUCWAPYGLGL-GFCCVEGCSA-N 2 2 282.457 2.578 50 0 CFAALP CC(C)c1nnsc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000072125413 176320504 /nfs/dbraw/zinc/32/05/04/176320504.db2.gz FFKQUCWAPYGLGL-GFCCVEGCSA-N 2 2 282.457 2.578 50 0 CFAALP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000072133255 176321784 /nfs/dbraw/zinc/32/17/84/176321784.db2.gz IMWIPTVANGXHTO-GFCCVEGCSA-N 2 2 298.862 2.552 50 0 CFAALP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000072133255 176321785 /nfs/dbraw/zinc/32/17/85/176321785.db2.gz IMWIPTVANGXHTO-GFCCVEGCSA-N 2 2 298.862 2.552 50 0 CFAALP c1c[nH+]c(CN2CCC[N@@H+](CCCc3ccccc3)CC2)[nH]1 ZINC000072145741 176325183 /nfs/dbraw/zinc/32/51/83/176325183.db2.gz TWJZYUKJZDCZSV-UHFFFAOYSA-N 2 2 298.434 2.550 50 0 CFAALP c1c[nH+]c(CN2CCC[N@H+](CCCc3ccccc3)CC2)[nH]1 ZINC000072145741 176325185 /nfs/dbraw/zinc/32/51/85/176325185.db2.gz TWJZYUKJZDCZSV-UHFFFAOYSA-N 2 2 298.434 2.550 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052654 260006389 /nfs/dbraw/zinc/00/63/89/260006389.db2.gz RIIVBOZFETVGJI-CYBMUJFWSA-N 2 2 290.436 2.712 50 0 CFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052654 260006391 /nfs/dbraw/zinc/00/63/91/260006391.db2.gz RIIVBOZFETVGJI-CYBMUJFWSA-N 2 2 290.436 2.712 50 0 CFAALP CC[NH+]1CCC([N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000032561770 279258691 /nfs/dbraw/zinc/25/86/91/279258691.db2.gz LBGIJMJUEKQTTQ-QGZVFWFLSA-N 3 2 293.499 2.669 50 0 CFAALP CC[NH+]1CCC([N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000032561770 279258692 /nfs/dbraw/zinc/25/86/92/279258692.db2.gz LBGIJMJUEKQTTQ-QGZVFWFLSA-N 3 2 293.499 2.669 50 0 CFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CCCOC1CCCCC1 ZINC000534649282 328343848 /nfs/dbraw/zinc/34/38/48/328343848.db2.gz DJMRKSHZBDLVKX-CQSZACIVSA-N 2 2 265.401 2.601 50 0 CFAALP Cc1ccc(C)c([C@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000096443312 533713343 /nfs/dbraw/zinc/71/33/43/533713343.db2.gz NHYRCDQLXZTULA-GOSISDBHSA-N 2 2 290.451 2.799 50 0 CFAALP Cc1cccn2c(C[NH2+][C@H]3CCCSC3)c[nH+]c12 ZINC000336617305 525465931 /nfs/dbraw/zinc/46/59/31/525465931.db2.gz ZNUGUMLOINIPJW-LBPRGKRZSA-N 2 2 261.394 2.628 50 0 CFAALP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000216044151 570305023 /nfs/dbraw/zinc/30/50/23/570305023.db2.gz NLOZKOKGQJHPAA-ZDUSSCGKSA-N 2 2 258.390 2.948 50 0 CFAALP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000216044151 570305024 /nfs/dbraw/zinc/30/50/24/570305024.db2.gz NLOZKOKGQJHPAA-ZDUSSCGKSA-N 2 2 258.390 2.948 50 0 CFAALP CCCc1cc(NCCn2c[nH+]c(C)c2C)nc(C)[nH+]1 ZINC000823009660 781916404 /nfs/dbraw/zinc/91/64/04/781916404.db2.gz WMJNZFDWZVVPJL-UHFFFAOYSA-N 2 2 273.384 2.663 50 0 CFAALP Cc1cnc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000095968620 185047975 /nfs/dbraw/zinc/04/79/75/185047975.db2.gz DPHNWDSEXZHVSQ-UHFFFAOYSA-N 2 2 267.442 2.804 50 0 CFAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000584886853 348727583 /nfs/dbraw/zinc/72/75/83/348727583.db2.gz AYLQVRGRSJCGFN-ZDUSSCGKSA-N 2 2 297.406 2.580 50 0 CFAALP COc1ccc2[nH]c(CC[NH2+][C@@H]3CCCSC3)[nH+]c2c1 ZINC000584892302 348728958 /nfs/dbraw/zinc/72/89/58/348728958.db2.gz KODNMFUIIFBOAW-LLVKDONJSA-N 2 2 291.420 2.599 50 0 CFAALP C[N@@H+](Cc1ccc(Cl)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253340 180353563 /nfs/dbraw/zinc/35/35/63/180353563.db2.gz GBYPWTPVUZYQJJ-LLVKDONJSA-N 2 2 256.777 2.707 50 0 CFAALP C[N@H+](Cc1ccc(Cl)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253340 180353566 /nfs/dbraw/zinc/35/35/66/180353566.db2.gz GBYPWTPVUZYQJJ-LLVKDONJSA-N 2 2 256.777 2.707 50 0 CFAALP C[NH+](Cc1ccc(Cl)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253340 180353569 /nfs/dbraw/zinc/35/35/69/180353569.db2.gz GBYPWTPVUZYQJJ-LLVKDONJSA-N 2 2 256.777 2.707 50 0 CFAALP C[NH+](Cc1ccc(Cl)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253340 180353572 /nfs/dbraw/zinc/35/35/72/180353572.db2.gz GBYPWTPVUZYQJJ-LLVKDONJSA-N 2 2 256.777 2.707 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000294656519 199125564 /nfs/dbraw/zinc/12/55/64/199125564.db2.gz CIVQBEGLPDGFIE-TYNCELHUSA-N 2 2 273.380 2.500 50 0 CFAALP Cc1[nH]c2cc(C[NH2+][C@H](C)CCn3cccn3)ccc2[nH+]1 ZINC000670473361 541011645 /nfs/dbraw/zinc/01/16/45/541011645.db2.gz TZQGJXXCWXKCGS-GFCCVEGCSA-N 2 2 283.379 2.636 50 0 CFAALP Cc1[nH]c2ccc(C[NH2+][C@H](C)CCn3cccn3)cc2[nH+]1 ZINC000670473361 541011647 /nfs/dbraw/zinc/01/16/47/541011647.db2.gz TZQGJXXCWXKCGS-GFCCVEGCSA-N 2 2 283.379 2.636 50 0 CFAALP C1=C(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000450402664 242399635 /nfs/dbraw/zinc/39/96/35/242399635.db2.gz KXZAIFQVIRMQQD-QGZVFWFLSA-N 2 2 278.440 2.531 50 0 CFAALP C1=C(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000450402664 242399639 /nfs/dbraw/zinc/39/96/39/242399639.db2.gz KXZAIFQVIRMQQD-QGZVFWFLSA-N 2 2 278.440 2.531 50 0 CFAALP c1cncc(C[NH+]2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000000317983 371585828 /nfs/dbraw/zinc/58/58/28/371585828.db2.gz DHFNVTXHXFNOLN-UHFFFAOYSA-N 2 2 273.424 2.922 50 0 CFAALP CC(C)(C)c1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000002380326 371723765 /nfs/dbraw/zinc/72/37/65/371723765.db2.gz QHOWYYMIZRKELF-UHFFFAOYSA-N 2 2 290.451 2.796 50 0 CFAALP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2c1OCCCO2 ZINC000036167644 372564748 /nfs/dbraw/zinc/56/47/48/372564748.db2.gz BGJXNSBHCJTEJV-UHFFFAOYSA-N 2 2 292.423 2.525 50 0 CFAALP CCOc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)[nH+]2)cc1 ZINC000036874257 372604559 /nfs/dbraw/zinc/60/45/59/372604559.db2.gz SLEDJRDWAOWFKZ-UHFFFAOYSA-N 2 2 271.364 2.942 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H]1CCC=CO1 ZINC000050267731 373365809 /nfs/dbraw/zinc/36/58/09/373365809.db2.gz VQVDAWHWTSUPGP-CQSZACIVSA-N 2 2 271.364 2.627 50 0 CFAALP CCCSc1ncc(C[NH2+]CC[C@H]2CCC[N@@H+]2C)cn1 ZINC000055153016 373544008 /nfs/dbraw/zinc/54/40/08/373544008.db2.gz OYFZRRUBFMSANE-CQSZACIVSA-N 2 2 294.468 2.553 50 0 CFAALP CCCSc1ncc(C[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000055153016 373544018 /nfs/dbraw/zinc/54/40/18/373544018.db2.gz OYFZRRUBFMSANE-CQSZACIVSA-N 2 2 294.468 2.553 50 0 CFAALP Cc1[nH+]ccn1-c1cc(C[NH2+]Cc2cccc(O)c2)ccn1 ZINC000058213885 373633832 /nfs/dbraw/zinc/63/38/32/373633832.db2.gz KYPYAXCEPDSNBO-UHFFFAOYSA-N 2 2 294.358 2.571 50 0 CFAALP CNc1cc[nH+]c(NCc2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000065506857 373880159 /nfs/dbraw/zinc/88/01/59/373880159.db2.gz KZJHEIMNOFCSJN-UHFFFAOYSA-N 2 2 294.362 2.625 50 0 CFAALP CCc1c[nH+]c(C)nc1N(C)C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000065406810 373868813 /nfs/dbraw/zinc/86/88/13/373868813.db2.gz VWXFDTIFQXBQOX-CQSZACIVSA-N 2 2 276.428 2.514 50 0 CFAALP CCc1c[nH+]c(C)nc1N(C)C[C@H]1CC[N@H+](C(C)C)C1 ZINC000065406810 373868818 /nfs/dbraw/zinc/86/88/18/373868818.db2.gz VWXFDTIFQXBQOX-CQSZACIVSA-N 2 2 276.428 2.514 50 0 CFAALP COc1c(C)c[nH+]c(CN(C)c2[nH+]cnc3[nH]ccc32)c1C ZINC000065422586 373869098 /nfs/dbraw/zinc/86/90/98/373869098.db2.gz ZYMQBNXIIHYNME-UHFFFAOYSA-N 2 2 297.362 2.615 50 0 CFAALP COc1ccccc1-n1cc[nH+]c1C1CC[NH+](C)CC1 ZINC000067725594 373996176 /nfs/dbraw/zinc/99/61/76/373996176.db2.gz HUQKAEYBZNAXAD-UHFFFAOYSA-N 2 2 271.364 2.690 50 0 CFAALP C[N@H+](CCC1(O)CCCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067983037 374020407 /nfs/dbraw/zinc/02/04/07/374020407.db2.gz QZBSETDSLOSAMX-UHFFFAOYSA-N 2 2 299.418 2.999 50 0 CFAALP C[N@@H+](CCC1(O)CCCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067983037 374020418 /nfs/dbraw/zinc/02/04/18/374020418.db2.gz QZBSETDSLOSAMX-UHFFFAOYSA-N 2 2 299.418 2.999 50 0 CFAALP Cc1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)c(C)[nH+]1 ZINC000067688629 373992130 /nfs/dbraw/zinc/99/21/30/373992130.db2.gz AYTIWFUHDDSVPZ-CYBMUJFWSA-N 2 2 254.333 2.628 50 0 CFAALP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)n1cccn1 ZINC000069349722 374055951 /nfs/dbraw/zinc/05/59/51/374055951.db2.gz BGSKIYDTVOUFFD-HUUCEWRRSA-N 2 2 295.390 2.808 50 0 CFAALP CCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000069517101 374070224 /nfs/dbraw/zinc/07/02/24/374070224.db2.gz GBBUUSXNHWXLBS-UHFFFAOYSA-N 2 2 285.391 2.873 50 0 CFAALP c1ccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000084556831 374782009 /nfs/dbraw/zinc/78/20/09/374782009.db2.gz NQCQSUFEBHVVPU-QGZVFWFLSA-N 2 2 284.359 2.614 50 0 CFAALP c1ccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000084556831 374782014 /nfs/dbraw/zinc/78/20/14/374782014.db2.gz NQCQSUFEBHVVPU-QGZVFWFLSA-N 2 2 284.359 2.614 50 0 CFAALP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095420550 375441310 /nfs/dbraw/zinc/44/13/10/375441310.db2.gz UQYILAFGXZGSKJ-KSSFIOAISA-N 2 2 298.434 2.863 50 0 CFAALP O[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000097200607 375537026 /nfs/dbraw/zinc/53/70/26/375537026.db2.gz JNOIPYNYOJXYSP-NVXWUHKLSA-N 2 2 297.402 2.549 50 0 CFAALP O[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000097200607 375537036 /nfs/dbraw/zinc/53/70/36/375537036.db2.gz JNOIPYNYOJXYSP-NVXWUHKLSA-N 2 2 297.402 2.549 50 0 CFAALP CCC(CC)[NH+]1CCC([N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000097102802 375518555 /nfs/dbraw/zinc/51/85/55/375518555.db2.gz RSSYKOUHCFKMGS-HUUCEWRRSA-N 3 2 281.488 2.699 50 0 CFAALP CCC(CC)[NH+]1CCC([N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000097102802 375518564 /nfs/dbraw/zinc/51/85/64/375518564.db2.gz RSSYKOUHCFKMGS-HUUCEWRRSA-N 3 2 281.488 2.699 50 0 CFAALP CCC(CC)[NH+]1CCC([N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000097102801 375518725 /nfs/dbraw/zinc/51/87/25/375518725.db2.gz RSSYKOUHCFKMGS-CABCVRRESA-N 3 2 281.488 2.699 50 0 CFAALP CCC(CC)[NH+]1CCC([N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000097102801 375518729 /nfs/dbraw/zinc/51/87/29/375518729.db2.gz RSSYKOUHCFKMGS-CABCVRRESA-N 3 2 281.488 2.699 50 0 CFAALP C[C@H](C[NH2+]Cc1nc(-c2ccccc2)c[nH]1)Cn1cc[nH+]c1 ZINC000170085176 379116427 /nfs/dbraw/zinc/11/64/27/379116427.db2.gz IKDNMCUJKJNFTQ-CQSZACIVSA-N 2 2 295.390 2.699 50 0 CFAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCn1cccn1 ZINC000192019454 382704252 /nfs/dbraw/zinc/70/42/52/382704252.db2.gz IKWIPUGXPDEQMX-UHFFFAOYSA-N 2 2 295.390 2.509 50 0 CFAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCn1cccn1 ZINC000192019454 382704253 /nfs/dbraw/zinc/70/42/53/382704253.db2.gz IKWIPUGXPDEQMX-UHFFFAOYSA-N 2 2 295.390 2.509 50 0 CFAALP CCCn1cc[nH+]c1CN(C)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000214959874 382777004 /nfs/dbraw/zinc/77/70/04/382777004.db2.gz UFFFJUONRJQCQB-UHFFFAOYSA-N 2 2 298.434 2.871 50 0 CFAALP CCCn1cc[nH+]c1CN(C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000214959874 382777005 /nfs/dbraw/zinc/77/70/05/382777005.db2.gz UFFFJUONRJQCQB-UHFFFAOYSA-N 2 2 298.434 2.871 50 0 CFAALP CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH+](C)C3)o1 ZINC000215568829 382779831 /nfs/dbraw/zinc/77/98/31/382779831.db2.gz RKAXCQHJWBCNNJ-KBPBESRZSA-N 2 2 262.397 2.758 50 0 CFAALP CCCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH+](C)C3)o1 ZINC000215568829 382779832 /nfs/dbraw/zinc/77/98/32/382779832.db2.gz RKAXCQHJWBCNNJ-KBPBESRZSA-N 2 2 262.397 2.758 50 0 CFAALP CCCc1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)[N@H+](C)C3)o1 ZINC000215568829 382779833 /nfs/dbraw/zinc/77/98/33/382779833.db2.gz RKAXCQHJWBCNNJ-KBPBESRZSA-N 2 2 262.397 2.758 50 0 CFAALP CCCc1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)[N@@H+](C)C3)o1 ZINC000215568829 382779835 /nfs/dbraw/zinc/77/98/35/382779835.db2.gz RKAXCQHJWBCNNJ-KBPBESRZSA-N 2 2 262.397 2.758 50 0 CFAALP C[C@@H]1C[N@@H+](CCCc2[nH]c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000225678955 382820263 /nfs/dbraw/zinc/82/02/63/382820263.db2.gz ONTPFNFAVHGWRX-BETUJISGSA-N 2 2 273.380 2.605 50 0 CFAALP C[C@@H]1C[N@H+](CCCc2[nH]c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000225678955 382820264 /nfs/dbraw/zinc/82/02/64/382820264.db2.gz ONTPFNFAVHGWRX-BETUJISGSA-N 2 2 273.380 2.605 50 0 CFAALP CCc1[nH+]ccn1CC[N@H+](C)Cc1nc2c(cccc2C)[nH]1 ZINC000244874717 382994841 /nfs/dbraw/zinc/99/48/41/382994841.db2.gz XGBZOPOUPGUHET-UHFFFAOYSA-N 2 2 297.406 2.762 50 0 CFAALP CCc1[nH+]ccn1CC[N@@H+](C)Cc1nc2c(cccc2C)[nH]1 ZINC000244874717 382994844 /nfs/dbraw/zinc/99/48/44/382994844.db2.gz XGBZOPOUPGUHET-UHFFFAOYSA-N 2 2 297.406 2.762 50 0 CFAALP CCc1[nH+]ccn1CC[N@H+](C)Cc1nc2cccc(C)c2[nH]1 ZINC000244874717 382994849 /nfs/dbraw/zinc/99/48/49/382994849.db2.gz XGBZOPOUPGUHET-UHFFFAOYSA-N 2 2 297.406 2.762 50 0 CFAALP COc1cc(C[C@H](C)[NH2+]CCc2cc[nH+]cc2C)ccn1 ZINC000585117144 383115053 /nfs/dbraw/zinc/11/50/53/383115053.db2.gz RZJFRKXLCGJBBS-AWEZNQCLSA-N 2 2 285.391 2.557 50 0 CFAALP Cc1ncsc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247280092 383158901 /nfs/dbraw/zinc/15/89/01/383158901.db2.gz YNSNXIOEDSJHRC-AAEUAGOBSA-N 2 2 276.409 2.731 50 0 CFAALP Cc1ncsc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247280092 383158904 /nfs/dbraw/zinc/15/89/04/383158904.db2.gz YNSNXIOEDSJHRC-AAEUAGOBSA-N 2 2 276.409 2.731 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccncc1)CCC2 ZINC000095402202 393811482 /nfs/dbraw/zinc/81/14/82/393811482.db2.gz KEAKJMULJFTVFV-HIFRSBDPSA-N 2 2 270.380 2.815 50 0 CFAALP CC(C)=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000095968976 393814875 /nfs/dbraw/zinc/81/48/75/393814875.db2.gz OHKPOXLHGKWAGQ-QZTJIDSGSA-N 3 2 293.499 2.879 50 0 CFAALP Cc1nc(N2CCC(c3[nH+]ccn3C(C)C)CC2)cc[nH+]1 ZINC000091906876 135074470 /nfs/dbraw/zinc/07/44/70/135074470.db2.gz RPQCXESMBUSIID-UHFFFAOYSA-N 2 2 285.395 2.946 50 0 CFAALP CCCOc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000020924609 171280145 /nfs/dbraw/zinc/28/01/45/171280145.db2.gz ULMQJJMQANOIQZ-UHFFFAOYSA-N 2 2 273.380 2.852 50 0 CFAALP CCCOc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000020967305 171282219 /nfs/dbraw/zinc/28/22/19/171282219.db2.gz MYXXQAGUNRRYSA-UHFFFAOYSA-N 2 2 250.386 2.517 50 0 CFAALP c1cn(CC2(C[NH2+][C@H]3CCN(c4ccccc4)C3)CC2)c[nH+]1 ZINC000534652473 328337894 /nfs/dbraw/zinc/33/78/94/328337894.db2.gz CQEGDTLBJKFQJW-INIZCTEOSA-N 2 2 296.418 2.532 50 0 CFAALP CC(C)Oc1ccc(-c2c[nH]cc2C[N@H+](C)CC[NH3+])cc1 ZINC000263620427 574102500 /nfs/dbraw/zinc/10/25/00/574102500.db2.gz FMTVWAGUJRUAKE-UHFFFAOYSA-N 2 2 287.407 2.859 50 0 in-vitro CFAALP CC(C)Oc1ccc(-c2c[nH]cc2C[N@@H+](C)CC[NH3+])cc1 ZINC000263620427 574102501 /nfs/dbraw/zinc/10/25/01/574102501.db2.gz FMTVWAGUJRUAKE-UHFFFAOYSA-N 2 2 287.407 2.859 50 0 in-vitro CFAALP c1csc(C[NH+]2CCC([NH2+][C@@H]3CCSC3)CC2)c1 ZINC000820430497 781867350 /nfs/dbraw/zinc/86/73/50/781867350.db2.gz SFBKWDDTILCLDK-CYBMUJFWSA-N 2 2 282.478 2.808 50 0 CFAALP Cc1[nH+]c(C)c(Cl)c(N2CC[NH+](C)CC2)c1Cl ZINC000006469560 293230351 /nfs/dbraw/zinc/23/03/51/293230351.db2.gz MTUSQIOQVKLEAR-UHFFFAOYSA-N 2 2 274.195 2.757 50 0 CFAALP CC(C)(C)c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ncc[nH]1)CCC2 ZINC000089725138 347526687 /nfs/dbraw/zinc/52/66/87/347526687.db2.gz ANLICJJEOHRKSM-LBPRGKRZSA-N 2 2 287.411 2.571 50 0 CFAALP CN(C)c1cc[nH+]cc1C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000097377056 347709290 /nfs/dbraw/zinc/70/92/90/347709290.db2.gz ZSVGOXNIPBIFBB-UHFFFAOYSA-N 2 2 299.374 2.508 50 0 CFAALP CN(C)c1cc[nH+]cc1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000097377056 347709292 /nfs/dbraw/zinc/70/92/92/347709292.db2.gz ZSVGOXNIPBIFBB-UHFFFAOYSA-N 2 2 299.374 2.508 50 0 CFAALP CCc1[nH+]ccn1C[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)n1 ZINC000584888429 348727978 /nfs/dbraw/zinc/72/79/78/348727978.db2.gz LQQODAVKSSNJCH-OAHLLOKOSA-N 2 2 286.423 2.978 50 0 CFAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+](C)Cc1cc(C)cc(C)n1 ZINC000584888429 348727983 /nfs/dbraw/zinc/72/79/83/348727983.db2.gz LQQODAVKSSNJCH-OAHLLOKOSA-N 2 2 286.423 2.978 50 0 CFAALP CCn1cc[nH+]c1C1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000091425379 180151799 /nfs/dbraw/zinc/15/17/99/180151799.db2.gz VEUAMDJDWOIYCX-UHFFFAOYSA-N 2 2 284.407 2.986 50 0 CFAALP CCc1[nH+]ccn1CCCNc1nc(C)[nH+]c(C)c1C ZINC000091587173 180200752 /nfs/dbraw/zinc/20/07/52/180200752.db2.gz GDBCFBPILLFRMO-UHFFFAOYSA-N 2 2 273.384 2.663 50 0 CFAALP C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C[Si](C)(C)C ZINC000409420690 539992384 /nfs/dbraw/zinc/99/23/84/539992384.db2.gz FETABIQTJHAXNZ-ZDUSSCGKSA-N 2 2 250.462 2.713 50 0 CFAALP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C[Si](C)(C)C ZINC000409420690 539992387 /nfs/dbraw/zinc/99/23/87/539992387.db2.gz FETABIQTJHAXNZ-ZDUSSCGKSA-N 2 2 250.462 2.713 50 0 CFAALP Cc1[nH+]cc(CNC[C@@H](C)[N@H+](C)C2CC2)n1-c1ccccc1 ZINC000084022218 540191945 /nfs/dbraw/zinc/19/19/45/540191945.db2.gz AZIMCQWASXGDAX-CQSZACIVSA-N 2 2 298.434 2.753 50 0 CFAALP Cc1[nH+]cc(CNC[C@@H](C)[N@@H+](C)C2CC2)n1-c1ccccc1 ZINC000084022218 540191950 /nfs/dbraw/zinc/19/19/50/540191950.db2.gz AZIMCQWASXGDAX-CQSZACIVSA-N 2 2 298.434 2.753 50 0 CFAALP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095420738 540724078 /nfs/dbraw/zinc/72/40/78/540724078.db2.gz ZTAQURGHGIAELD-DZGCQCFKSA-N 2 2 260.381 2.584 50 0 CFAALP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095420738 540724082 /nfs/dbraw/zinc/72/40/82/540724082.db2.gz ZTAQURGHGIAELD-DZGCQCFKSA-N 2 2 260.381 2.584 50 0 CFAALP C[C@H](Cc1ccco1)[NH2+]CC[NH2+][C@@H](C)Cc1ccco1 ZINC000670419698 540986023 /nfs/dbraw/zinc/98/60/23/540986023.db2.gz SPMDNYXDURKJLL-OKILXGFUSA-N 2 2 276.380 2.614 50 0 CFAALP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)[nH]n1 ZINC000670465616 541006382 /nfs/dbraw/zinc/00/63/82/541006382.db2.gz BGWQSJBQQQSXHU-KRWDZBQOSA-N 2 2 298.434 2.672 50 0 CFAALP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)[nH]n1 ZINC000670465616 541006384 /nfs/dbraw/zinc/00/63/84/541006384.db2.gz BGWQSJBQQQSXHU-KRWDZBQOSA-N 2 2 298.434 2.672 50 0 CFAALP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000670465616 541006385 /nfs/dbraw/zinc/00/63/85/541006385.db2.gz BGWQSJBQQQSXHU-KRWDZBQOSA-N 2 2 298.434 2.672 50 0 CFAALP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000670465616 541006387 /nfs/dbraw/zinc/00/63/87/541006387.db2.gz BGWQSJBQQQSXHU-KRWDZBQOSA-N 2 2 298.434 2.672 50 0 CFAALP [NH2+]=C1NC(Nc2ccc(Cl)cc2)=[NH+]C2(CCCCC2)N1 ZINC000000203755 371557593 /nfs/dbraw/zinc/55/75/93/371557593.db2.gz YAARVULYILDNGZ-UHFFFAOYSA-N 2 2 291.786 2.686 50 0 CFAALP c1cc(C[NH+]2CCC([NH+]3CCCCCC3)CC2)ccn1 ZINC000000315794 371586064 /nfs/dbraw/zinc/58/60/64/371586064.db2.gz CHEOUEHSVYXITK-UHFFFAOYSA-N 2 2 273.424 2.922 50 0 CFAALP C[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000002484369 371728392 /nfs/dbraw/zinc/72/83/92/371728392.db2.gz BMXPXGQKTHPCSB-HNNXBMFYSA-N 2 2 273.424 2.778 50 0 CFAALP C[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000002484369 371728399 /nfs/dbraw/zinc/72/83/99/371728399.db2.gz BMXPXGQKTHPCSB-HNNXBMFYSA-N 2 2 273.424 2.778 50 0 CFAALP c1csc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000026476601 372321459 /nfs/dbraw/zinc/32/14/59/372321459.db2.gz MSXXRVCXMZMLOY-UHFFFAOYSA-N 2 2 257.362 2.728 50 0 CFAALP Fc1ccc(-c2n[nH]cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000036389713 372576272 /nfs/dbraw/zinc/57/62/72/372576272.db2.gz IQTLXNBAWOVZDX-UHFFFAOYSA-N 2 2 299.353 2.592 50 0 CFAALP CCC[C@@H](C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC000067713272 373994363 /nfs/dbraw/zinc/99/43/63/373994363.db2.gz CWXCBIFNMBGORV-AWEZNQCLSA-N 3 2 269.477 2.616 50 0 CFAALP C[C@H]1C[C@H]([NH2+]Cc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338358 374651518 /nfs/dbraw/zinc/65/15/18/374651518.db2.gz MZSLYYFQKYPXIQ-GOEBONIOSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H]1C[C@H]([NH2+]Cc2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000080338358 374651526 /nfs/dbraw/zinc/65/15/26/374651526.db2.gz MZSLYYFQKYPXIQ-GOEBONIOSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H]1C[C@H](NCc2[nH]cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338358 374651532 /nfs/dbraw/zinc/65/15/32/374651532.db2.gz MZSLYYFQKYPXIQ-GOEBONIOSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H]1C[C@H](NCc2[nH]cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000080338358 374651536 /nfs/dbraw/zinc/65/15/36/374651536.db2.gz MZSLYYFQKYPXIQ-GOEBONIOSA-N 2 2 284.407 2.552 50 0 CFAALP c1cn([C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000089807032 374956639 /nfs/dbraw/zinc/95/66/39/374956639.db2.gz QNIUSDPZSBCFIH-GJZGRUSLSA-N 2 2 299.374 2.538 50 0 CFAALP CC(C)c1noc([C@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)n1 ZINC000089893627 374964981 /nfs/dbraw/zinc/96/49/81/374964981.db2.gz HRNCQFHZFBZDRX-NWDGAFQWSA-N 2 2 289.383 2.618 50 0 CFAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)[nH]1 ZINC000091562950 375053432 /nfs/dbraw/zinc/05/34/32/375053432.db2.gz CYOBOTMRAGDKCL-DLBZAZTESA-N 2 2 296.418 2.506 50 0 CFAALP c1c[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)[nH]1 ZINC000091562950 375053438 /nfs/dbraw/zinc/05/34/38/375053438.db2.gz CYOBOTMRAGDKCL-DLBZAZTESA-N 2 2 296.418 2.506 50 0 CFAALP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000093643707 375280877 /nfs/dbraw/zinc/28/08/77/375280877.db2.gz KCCCPYRKBYLFBM-ABAIWWIYSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000093643707 375280883 /nfs/dbraw/zinc/28/08/83/375280883.db2.gz KCCCPYRKBYLFBM-ABAIWWIYSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1C ZINC000093643707 375280889 /nfs/dbraw/zinc/28/08/89/375280889.db2.gz KCCCPYRKBYLFBM-ABAIWWIYSA-N 2 2 268.351 2.879 50 0 CFAALP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1C ZINC000093643707 375280892 /nfs/dbraw/zinc/28/08/92/375280892.db2.gz KCCCPYRKBYLFBM-ABAIWWIYSA-N 2 2 268.351 2.879 50 0 CFAALP Cc1[nH]c(CN[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH+]c1C ZINC000571582471 383707645 /nfs/dbraw/zinc/70/76/45/383707645.db2.gz RXBOEUSTQFMURB-PBHICJAKSA-N 2 2 286.423 2.808 50 0 CFAALP c1cn(-c2cc(C[NH2+]C[C@H]3CC=CCC3)ccn2)c[nH+]1 ZINC000095433923 375447082 /nfs/dbraw/zinc/44/70/82/375447082.db2.gz UGEPOTYQKLKCJI-AWEZNQCLSA-N 2 2 268.364 2.713 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000097159563 375534109 /nfs/dbraw/zinc/53/41/09/375534109.db2.gz CMDBAXUIGKSUOK-UHFFFAOYSA-N 2 2 295.390 2.561 50 0 CFAALP Cc1c[nH+]c(C2C[NH+](Cc3cccnc3)C2)n1CC1CC1 ZINC000575554010 382773708 /nfs/dbraw/zinc/77/37/08/382773708.db2.gz MEFBEBJILXQWJX-UHFFFAOYSA-N 2 2 282.391 2.596 50 0 CFAALP c1cn(CCCOc2ccc(C[NH+]3CCC3)cc2)c[nH+]1 ZINC000215537454 382779073 /nfs/dbraw/zinc/77/90/73/382779073.db2.gz OLEIOCKFTYWEQZ-UHFFFAOYSA-N 2 2 271.364 2.558 50 0 CFAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000216499041 382783426 /nfs/dbraw/zinc/78/34/26/382783426.db2.gz RGOOOPNJHTWIPB-UHFFFAOYSA-N 3 2 295.390 2.509 50 0 CFAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000216499041 382783428 /nfs/dbraw/zinc/78/34/28/382783428.db2.gz RGOOOPNJHTWIPB-UHFFFAOYSA-N 3 2 295.390 2.509 50 0 CFAALP O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000222198223 382801572 /nfs/dbraw/zinc/80/15/72/382801572.db2.gz JNOIPYNYOJXYSP-RDJZCZTQSA-N 2 2 297.402 2.549 50 0 CFAALP O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000222198223 382801573 /nfs/dbraw/zinc/80/15/73/382801573.db2.gz JNOIPYNYOJXYSP-RDJZCZTQSA-N 2 2 297.402 2.549 50 0 CFAALP CCOCCC[N@@H+]1CC[C@H](Nc2cccc[nH+]2)[C@@H](C)C1 ZINC000229813500 382853349 /nfs/dbraw/zinc/85/33/49/382853349.db2.gz MZIUZDABHUDNKE-GJZGRUSLSA-N 2 2 277.412 2.631 50 0 CFAALP CCOCCC[N@H+]1CC[C@H](Nc2cccc[nH+]2)[C@@H](C)C1 ZINC000229813500 382853352 /nfs/dbraw/zinc/85/33/52/382853352.db2.gz MZIUZDABHUDNKE-GJZGRUSLSA-N 2 2 277.412 2.631 50 0 CFAALP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1[nH]nc2c1CCCCC2 ZINC000244773913 382991928 /nfs/dbraw/zinc/99/19/28/382991928.db2.gz PIQYMKFKWMTQQK-CQSZACIVSA-N 2 2 290.455 2.595 50 0 CFAALP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1[nH]nc2c1CCCCC2 ZINC000244773913 382991934 /nfs/dbraw/zinc/99/19/34/382991934.db2.gz PIQYMKFKWMTQQK-CQSZACIVSA-N 2 2 290.455 2.595 50 0 CFAALP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1[nH]nc2c1CCCCC2 ZINC000244773913 382991937 /nfs/dbraw/zinc/99/19/37/382991937.db2.gz PIQYMKFKWMTQQK-CQSZACIVSA-N 2 2 290.455 2.595 50 0 CFAALP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1[nH]nc2c1CCCCC2 ZINC000244773913 382991941 /nfs/dbraw/zinc/99/19/41/382991941.db2.gz PIQYMKFKWMTQQK-CQSZACIVSA-N 2 2 290.455 2.595 50 0 CFAALP Cc1c[nH]c(CN(C)C[C@H]2CCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000244795944 382993393 /nfs/dbraw/zinc/99/33/93/382993393.db2.gz RQEPJNOPWWPGQL-QGZVFWFLSA-N 2 2 298.434 2.815 50 0 CFAALP c1cc2c(s1)CC[N@@H+](CC1=CSC3=[NH+]CCCN13)C2 ZINC000101083853 397593090 /nfs/dbraw/zinc/59/30/90/397593090.db2.gz UMHDDXJIQCIHIH-UHFFFAOYSA-N 2 2 291.445 2.756 50 0 CFAALP c1cc2c(s1)CC[N@H+](CC1=CSC3=[NH+]CCCN13)C2 ZINC000101083853 397593092 /nfs/dbraw/zinc/59/30/92/397593092.db2.gz UMHDDXJIQCIHIH-UHFFFAOYSA-N 2 2 291.445 2.756 50 0 CFAALP Cc1cc(C)cc(NC(=[NH2+])NCCCn2cc[nH+]c2)c1 ZINC000009972266 170392321 /nfs/dbraw/zinc/39/23/21/170392321.db2.gz VPCKIHSNTMCDKC-UHFFFAOYSA-N 2 2 271.368 2.527 50 0 CFAALP c1c[nH+]c(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)[nH]1 ZINC000020234986 171095242 /nfs/dbraw/zinc/09/52/42/171095242.db2.gz LXQYIIZUSFFAKH-OAHLLOKOSA-N 2 2 276.428 2.544 50 0 CFAALP c1c[nH+]c(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)[nH]1 ZINC000020234986 171095244 /nfs/dbraw/zinc/09/52/44/171095244.db2.gz LXQYIIZUSFFAKH-OAHLLOKOSA-N 2 2 276.428 2.544 50 0 CFAALP c1ccc2c(c1)CC[C@H]([NH2+]CC[NH+]1CCCCC1)C2 ZINC000022455698 171388035 /nfs/dbraw/zinc/38/80/35/171388035.db2.gz UDUZDPWMLYUVTF-KRWDZBQOSA-N 2 2 258.409 2.619 50 0 CFAALP c1coc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000035287216 172105346 /nfs/dbraw/zinc/10/53/46/172105346.db2.gz PCXYGBIDXLFDFZ-UHFFFAOYSA-N 2 2 255.321 2.878 50 0 CFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)c2ccccc12 ZINC000045946173 175387961 /nfs/dbraw/zinc/38/79/61/175387961.db2.gz KOUONDLZJSAEFK-HNNXBMFYSA-N 2 2 271.408 2.752 50 0 CFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)c2ccccc12 ZINC000045946173 175387962 /nfs/dbraw/zinc/38/79/62/175387962.db2.gz KOUONDLZJSAEFK-HNNXBMFYSA-N 2 2 271.408 2.752 50 0 CFAALP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000072162941 176330405 /nfs/dbraw/zinc/33/04/05/176330405.db2.gz PFZNQQUPANSXIR-HNNXBMFYSA-N 2 2 266.335 2.540 50 0 CFAALP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000072162941 176330406 /nfs/dbraw/zinc/33/04/06/176330406.db2.gz PFZNQQUPANSXIR-HNNXBMFYSA-N 2 2 266.335 2.540 50 0 CFAALP Cc1cc(C[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)on1 ZINC000214984480 524660698 /nfs/dbraw/zinc/66/06/98/524660698.db2.gz AFCXEGMHHQUCBX-UHFFFAOYSA-N 2 2 279.409 2.738 50 0 CFAALP Cc1cc(C[N@H+](C)Cc2cc(C[NH+](C)C)cs2)on1 ZINC000214984480 524660715 /nfs/dbraw/zinc/66/07/15/524660715.db2.gz AFCXEGMHHQUCBX-UHFFFAOYSA-N 2 2 279.409 2.738 50 0 CFAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000952970834 615751474 /nfs/dbraw/zinc/75/14/74/615751474.db2.gz BGCSXOKDAGURKO-OAHLLOKOSA-N 3 2 290.455 2.564 50 0 CFAALP Fc1c[nH+]ccc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000096163549 650985444 /nfs/dbraw/zinc/98/54/44/650985444.db2.gz UQGDXHHTWZCMOZ-UHFFFAOYSA-N 2 2 277.387 2.923 50 0 CFAALP c1ccc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000096721133 185110338 /nfs/dbraw/zinc/11/03/38/185110338.db2.gz NKDJYMJYIISVDO-UHFFFAOYSA-N 2 2 274.408 2.626 50 0 CFAALP Clc1cccc(C2([NH2+]CCn3cc[nH+]c3)CC2)c1 ZINC000097033520 185155872 /nfs/dbraw/zinc/15/58/72/185155872.db2.gz SXEJTUNMMLPXKX-UHFFFAOYSA-N 2 2 261.756 2.815 50 0 CFAALP Cc1ccc([C@@H]2CSCC[N@@H+]2CCCn2cc[nH+]c2)o1 ZINC000097034125 185157661 /nfs/dbraw/zinc/15/76/61/185157661.db2.gz YEGPGZFQWOVIRU-AWEZNQCLSA-N 2 2 291.420 2.965 50 0 CFAALP Cc1ccc([C@@H]2CSCC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000097034125 185157663 /nfs/dbraw/zinc/15/76/63/185157663.db2.gz YEGPGZFQWOVIRU-AWEZNQCLSA-N 2 2 291.420 2.965 50 0 CFAALP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000076046898 347115959 /nfs/dbraw/zinc/11/59/59/347115959.db2.gz FGFPZRPQOKAKQS-GFCCVEGCSA-N 2 2 298.377 2.726 50 0 CFAALP C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585140470 348737363 /nfs/dbraw/zinc/73/73/63/348737363.db2.gz FQNNRIRYQWMOHE-DYVFJYSZSA-N 2 2 285.391 2.568 50 0 CFAALP Cc1c[nH+]c(N)nc1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000091305864 180131441 /nfs/dbraw/zinc/13/14/41/180131441.db2.gz VEFYFUZLXJSZGV-OAHLLOKOSA-N 2 2 297.406 2.616 50 0 CFAALP Cc1ncsc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960968 180292367 /nfs/dbraw/zinc/29/23/67/180292367.db2.gz YNSNXIOEDSJHRC-WCQYABFASA-N 2 2 276.409 2.731 50 0 CFAALP Cc1ncsc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960968 180292369 /nfs/dbraw/zinc/29/23/69/180292369.db2.gz YNSNXIOEDSJHRC-WCQYABFASA-N 2 2 276.409 2.731 50 0 CFAALP OC[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000157122617 188298257 /nfs/dbraw/zinc/29/82/57/188298257.db2.gz PGJPLZNBBROMEK-QGZVFWFLSA-N 2 2 285.391 2.609 50 0 CFAALP OC[C@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000157122617 188298258 /nfs/dbraw/zinc/29/82/58/188298258.db2.gz PGJPLZNBBROMEK-QGZVFWFLSA-N 2 2 285.391 2.609 50 0 CFAALP Cn1c[nH+]cc1CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000670460101 541002623 /nfs/dbraw/zinc/00/26/23/541002623.db2.gz HSZHMTPVJUPMHQ-UHFFFAOYSA-N 2 2 298.434 2.517 50 0 CFAALP Cn1c[nH+]cc1CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000670460101 541002624 /nfs/dbraw/zinc/00/26/24/541002624.db2.gz HSZHMTPVJUPMHQ-UHFFFAOYSA-N 2 2 298.434 2.517 50 0 CFAALP Cc1nc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cs1 ZINC000670451731 540999391 /nfs/dbraw/zinc/99/93/91/540999391.db2.gz TVTIQGHAFPCGNG-AWEZNQCLSA-N 2 2 290.436 2.869 50 0 CFAALP Cc1nc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cs1 ZINC000670451731 540999392 /nfs/dbraw/zinc/99/93/92/540999392.db2.gz TVTIQGHAFPCGNG-AWEZNQCLSA-N 2 2 290.436 2.869 50 0 CFAALP CC(C)[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000000207683 371557773 /nfs/dbraw/zinc/55/77/73/371557773.db2.gz YPUMGMOZCOFGHV-UHFFFAOYSA-N 2 2 287.451 2.681 50 0 CFAALP Nc1ccc2[nH]c(C=Cc3[nH]c4ccc(N)cc4[nH+]3)[nH+]c2c1 ZINC000006188244 371888975 /nfs/dbraw/zinc/88/89/75/371888975.db2.gz CKNSECQQIDUBKO-AATRIKPKSA-N 2 2 290.330 2.774 50 0 CFAALP FC(F)(F)CC[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000067649859 373987312 /nfs/dbraw/zinc/98/73/12/373987312.db2.gz KYFZXHCXGSZBBK-LLVKDONJSA-N 2 2 261.291 2.548 50 0 CFAALP FC(F)(F)CC[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000067649859 373987318 /nfs/dbraw/zinc/98/73/18/373987318.db2.gz KYFZXHCXGSZBBK-LLVKDONJSA-N 2 2 261.291 2.548 50 0 CFAALP CC[C@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCC2)s1 ZINC000077439786 374561633 /nfs/dbraw/zinc/56/16/33/374561633.db2.gz MZKGAWNZSQMGSI-AWEZNQCLSA-N 2 2 294.464 2.955 50 0 CFAALP CC[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCC2)s1 ZINC000077439786 374561637 /nfs/dbraw/zinc/56/16/37/374561637.db2.gz MZKGAWNZSQMGSI-AWEZNQCLSA-N 2 2 294.464 2.955 50 0 CFAALP c1cn(Cc2ccc(CNc3cccc[nH+]3)cc2)c[nH+]1 ZINC000080948741 374677601 /nfs/dbraw/zinc/67/76/01/374677601.db2.gz MGLNWWDQWKAZRQ-UHFFFAOYSA-N 2 2 264.332 2.939 50 0 CFAALP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@]2(C)CO)n1-c1ccccc1 ZINC000084048213 374761327 /nfs/dbraw/zinc/76/13/27/374761327.db2.gz MHDUTSXATREFOA-ROUUACIJSA-N 2 2 299.418 2.821 50 0 CFAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ncc[nH]1 ZINC000089930203 374971044 /nfs/dbraw/zinc/97/10/44/374971044.db2.gz SXFNDTUCIGICGY-HUUCEWRRSA-N 2 2 298.434 2.656 50 0 CFAALP CCc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000188411301 382409702 /nfs/dbraw/zinc/40/97/02/382409702.db2.gz LXWRFQGWSZLAHJ-ZDUSSCGKSA-N 2 2 259.353 2.703 50 0 CFAALP CCc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000188411301 382409708 /nfs/dbraw/zinc/40/97/08/382409708.db2.gz LXWRFQGWSZLAHJ-ZDUSSCGKSA-N 2 2 259.353 2.703 50 0 CFAALP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000191839677 382702785 /nfs/dbraw/zinc/70/27/85/382702785.db2.gz YMKKQUFJOGDMDV-SFHVURJKSA-N 2 2 288.435 2.850 50 0 CFAALP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000191839677 382702786 /nfs/dbraw/zinc/70/27/86/382702786.db2.gz YMKKQUFJOGDMDV-SFHVURJKSA-N 2 2 288.435 2.850 50 0 CFAALP CCc1ccc(C[N@H+](C)CC[C@H](C)[NH+]2CCCC2)nc1 ZINC000219741912 382794442 /nfs/dbraw/zinc/79/44/42/382794442.db2.gz BKIDKRXOKYQSPE-HNNXBMFYSA-N 2 2 275.440 2.950 50 0 CFAALP CCc1ccc(C[N@@H+](C)CC[C@H](C)[NH+]2CCCC2)nc1 ZINC000219741912 382794443 /nfs/dbraw/zinc/79/44/43/382794443.db2.gz BKIDKRXOKYQSPE-HNNXBMFYSA-N 2 2 275.440 2.950 50 0 CFAALP COc1c(F)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000216145662 382782159 /nfs/dbraw/zinc/78/21/59/382782159.db2.gz ZQYSSZHTGYUETI-ZDUSSCGKSA-N 2 2 298.377 2.890 50 0 CFAALP COc1c(F)cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000216145662 382782161 /nfs/dbraw/zinc/78/21/61/382782161.db2.gz ZQYSSZHTGYUETI-ZDUSSCGKSA-N 2 2 298.377 2.890 50 0 CFAALP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OC(C)C ZINC000221157667 382797425 /nfs/dbraw/zinc/79/74/25/382797425.db2.gz DXCZFJCADJLELH-HNNXBMFYSA-N 2 2 292.423 2.666 50 0 CFAALP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OC(C)C ZINC000221157667 382797427 /nfs/dbraw/zinc/79/74/27/382797427.db2.gz DXCZFJCADJLELH-HNNXBMFYSA-N 2 2 292.423 2.666 50 0 CFAALP COc1ccc(C[C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000225530272 382817562 /nfs/dbraw/zinc/81/75/62/382817562.db2.gz NNCBVKZLMGAEES-QGZVFWFLSA-N 2 2 299.418 2.846 50 0 CFAALP COc1ccc(C[C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000225530272 382817564 /nfs/dbraw/zinc/81/75/64/382817564.db2.gz NNCBVKZLMGAEES-QGZVFWFLSA-N 2 2 299.418 2.846 50 0 CFAALP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000229838804 382853536 /nfs/dbraw/zinc/85/35/36/382853536.db2.gz MCELIRJKBGHNNR-IRXDYDNUSA-N 2 2 288.435 2.710 50 0 CFAALP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000229838804 382853540 /nfs/dbraw/zinc/85/35/40/382853540.db2.gz MCELIRJKBGHNNR-IRXDYDNUSA-N 2 2 288.435 2.710 50 0 CFAALP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245735405 383029665 /nfs/dbraw/zinc/02/96/65/383029665.db2.gz WPCIPBUKEPRQOK-IIAWOOMASA-N 2 2 270.380 2.922 50 0 CFAALP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245735405 383029670 /nfs/dbraw/zinc/02/96/70/383029670.db2.gz WPCIPBUKEPRQOK-IIAWOOMASA-N 2 2 270.380 2.922 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccsc1)CCC2 ZINC000089702138 393769566 /nfs/dbraw/zinc/76/95/66/393769566.db2.gz BUWBQWJXQIYLAU-ZDUSSCGKSA-N 2 2 261.394 2.920 50 0 CFAALP CC(C)C[N@@H+]1CC[C@H](CN(C)Cc2c[nH+]cn2C(C)C)C1 ZINC000097446947 393840501 /nfs/dbraw/zinc/84/05/01/393840501.db2.gz BOUXDYMOQDKKLH-MRXNPFEDSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[N@H+]1CC[C@H](CN(C)Cc2c[nH+]cn2C(C)C)C1 ZINC000097446947 393840506 /nfs/dbraw/zinc/84/05/06/393840506.db2.gz BOUXDYMOQDKKLH-MRXNPFEDSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cncn2C(C)C)C1 ZINC000097446947 393840513 /nfs/dbraw/zinc/84/05/13/393840513.db2.gz BOUXDYMOQDKKLH-MRXNPFEDSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cncn2C(C)C)C1 ZINC000097446947 393840518 /nfs/dbraw/zinc/84/05/18/393840518.db2.gz BOUXDYMOQDKKLH-MRXNPFEDSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cncn2C(C)C)C1 ZINC000097446947 393840522 /nfs/dbraw/zinc/84/05/22/393840522.db2.gz BOUXDYMOQDKKLH-MRXNPFEDSA-N 2 2 292.471 2.874 50 0 CFAALP CC(C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cncn2C(C)C)C1 ZINC000097446947 393840524 /nfs/dbraw/zinc/84/05/24/393840524.db2.gz BOUXDYMOQDKKLH-MRXNPFEDSA-N 2 2 292.471 2.874 50 0 CFAALP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000020189524 171056115 /nfs/dbraw/zinc/05/61/15/171056115.db2.gz GRBNQRLCJQRZHG-UHFFFAOYSA-N 2 2 292.423 2.668 50 0 CFAALP Cc1c(Cl)ccc(OCCC[NH2+]CC[NH+](C)C)c1C ZINC000020418867 171184032 /nfs/dbraw/zinc/18/40/32/171184032.db2.gz WYEKXTYTTZXZGA-UHFFFAOYSA-N 2 2 284.831 2.877 50 0 CFAALP Cc1cc(N2CCC[C@H]([NH3+])CC2)nc(-c2ccccc2)[nH+]1 ZINC000072159065 176329417 /nfs/dbraw/zinc/32/94/17/176329417.db2.gz WQRXWVKIAVESLO-HNNXBMFYSA-N 2 2 282.391 2.770 50 0 CFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(N(C)C)CCCCCC1 ZINC000534586307 328315615 /nfs/dbraw/zinc/31/56/15/328315615.db2.gz WLBWUGALCCGEIP-HNNXBMFYSA-N 2 2 278.444 2.516 50 0 CFAALP CSC[C@@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000534667861 328346106 /nfs/dbraw/zinc/34/61/06/328346106.db2.gz GAIFVZCIHOTDOH-GFCCVEGCSA-N 2 2 277.437 2.847 50 0 CFAALP CC(C)CC[N@H+](C1CCOCC1)C1CC[NH+](C)CC1 ZINC000169752275 348052543 /nfs/dbraw/zinc/05/25/43/348052543.db2.gz XYRKROTVGHQIQX-UHFFFAOYSA-N 2 2 268.445 2.608 50 0 CFAALP CC(C)CC[N@@H+](C1CCOCC1)C1CC[NH+](C)CC1 ZINC000169752275 348052547 /nfs/dbraw/zinc/05/25/47/348052547.db2.gz XYRKROTVGHQIQX-UHFFFAOYSA-N 2 2 268.445 2.608 50 0 CFAALP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCSC3)[nH]c21 ZINC000584893109 348728904 /nfs/dbraw/zinc/72/89/04/348728904.db2.gz SHWBDFJUUZIESB-LBPRGKRZSA-N 2 2 275.421 2.899 50 0 CFAALP Cc1cccc2[nH]c(CC[NH2+][C@H]3CCCSC3)[nH+]c21 ZINC000584893109 348728905 /nfs/dbraw/zinc/72/89/05/348728905.db2.gz SHWBDFJUUZIESB-LBPRGKRZSA-N 2 2 275.421 2.899 50 0 CFAALP CCc1[nH+]ccn1C[C@@H](C)[NH+]1CC(Oc2ccccc2)C1 ZINC000584901287 348733114 /nfs/dbraw/zinc/73/31/14/348733114.db2.gz MJNWGVWGELQMFD-CQSZACIVSA-N 2 2 285.391 2.597 50 0 CFAALP Cn1cc[nH+]c1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000670470886 541009712 /nfs/dbraw/zinc/00/97/12/541009712.db2.gz LCHTYHDDLCTSQZ-MRXNPFEDSA-N 2 2 269.392 2.842 50 0 CFAALP Cn1cc[nH+]c1CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000670470886 541009714 /nfs/dbraw/zinc/00/97/14/541009714.db2.gz LCHTYHDDLCTSQZ-MRXNPFEDSA-N 2 2 269.392 2.842 50 0 CFAALP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000181917043 189309981 /nfs/dbraw/zinc/30/99/81/189309981.db2.gz OGKXMEYUDPBIIB-CQSZACIVSA-N 2 2 275.327 2.526 50 0 CFAALP CCn1c[nH+]cc1Cn1cc[nH+]c1-c1ccc(O)c(OC)c1 ZINC000067724126 373996273 /nfs/dbraw/zinc/99/62/73/373996273.db2.gz BFITYEAHVDUIOV-UHFFFAOYSA-N 2 2 298.346 2.529 50 0 CFAALP Cc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)s1 ZINC000067834168 374005958 /nfs/dbraw/zinc/00/59/58/374005958.db2.gz UPGFEIXZQFXLMG-ZDUSSCGKSA-N 2 2 250.411 2.773 50 0 CFAALP Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)s1 ZINC000067834168 374005963 /nfs/dbraw/zinc/00/59/63/374005963.db2.gz UPGFEIXZQFXLMG-ZDUSSCGKSA-N 2 2 250.411 2.773 50 0 CFAALP C[C@H]([C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)n1cccn1 ZINC000069349721 374055412 /nfs/dbraw/zinc/05/54/12/374055412.db2.gz BGSKIYDTVOUFFD-LSDHHAIUSA-N 2 2 295.390 2.808 50 0 CFAALP Cc1ccc(N2CCC(Nc3cccc[nH+]3)CC2)[nH+]c1 ZINC000078305732 374565993 /nfs/dbraw/zinc/56/59/93/374565993.db2.gz CRCISOXVWOWUIO-UHFFFAOYSA-N 2 2 268.364 2.866 50 0 CFAALP COCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082108840 374726016 /nfs/dbraw/zinc/72/60/16/374726016.db2.gz QRXLQZWQGOFOMY-OAHLLOKOSA-N 2 2 277.412 2.509 50 0 CFAALP COCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082108840 374726020 /nfs/dbraw/zinc/72/60/20/374726020.db2.gz QRXLQZWQGOFOMY-OAHLLOKOSA-N 2 2 277.412 2.509 50 0 CFAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(F)(F)C(F)F)C1 ZINC000082126035 374728275 /nfs/dbraw/zinc/72/82/75/374728275.db2.gz HOKGVTQSOWWBDJ-SNVBAGLBSA-N 2 2 293.308 2.890 50 0 CFAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(F)(F)C(F)F)C1 ZINC000082126035 374728279 /nfs/dbraw/zinc/72/82/79/374728279.db2.gz HOKGVTQSOWWBDJ-SNVBAGLBSA-N 2 2 293.308 2.890 50 0 CFAALP COCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095359297 375419644 /nfs/dbraw/zinc/41/96/44/375419644.db2.gz MBFUOROPAUDQLO-MRXNPFEDSA-N 2 2 291.439 2.899 50 0 CFAALP COCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095359297 375419649 /nfs/dbraw/zinc/41/96/49/375419649.db2.gz MBFUOROPAUDQLO-MRXNPFEDSA-N 2 2 291.439 2.899 50 0 CFAALP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095388074 375429288 /nfs/dbraw/zinc/42/92/88/375429288.db2.gz CWTCDHPXXZBULR-CYBMUJFWSA-N 2 2 279.428 2.735 50 0 CFAALP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000095388074 375429295 /nfs/dbraw/zinc/42/92/95/375429295.db2.gz CWTCDHPXXZBULR-CYBMUJFWSA-N 2 2 279.428 2.735 50 0 CFAALP Cc1ccc(NC[C@H]2CC[N@@H+](CCOC(C)C)C2)[nH+]c1 ZINC000097200782 375538247 /nfs/dbraw/zinc/53/82/47/375538247.db2.gz UDAHHPXCXOLRPG-OAHLLOKOSA-N 2 2 277.412 2.549 50 0 CFAALP Cc1ccc(NC[C@H]2CC[N@H+](CCOC(C)C)C2)[nH+]c1 ZINC000097200782 375538255 /nfs/dbraw/zinc/53/82/55/375538255.db2.gz UDAHHPXCXOLRPG-OAHLLOKOSA-N 2 2 277.412 2.549 50 0 CFAALP Cc1cc(Cl)ccc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000136133732 378182423 /nfs/dbraw/zinc/18/24/23/378182423.db2.gz DELIBNIERUJNFN-UHFFFAOYSA-N 2 2 296.842 2.537 50 0 CFAALP Cc1cc(Cl)ccc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000136133732 378182427 /nfs/dbraw/zinc/18/24/27/378182427.db2.gz DELIBNIERUJNFN-UHFFFAOYSA-N 2 2 296.842 2.537 50 0 CFAALP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)o1 ZINC000215233983 382778137 /nfs/dbraw/zinc/77/81/37/382778137.db2.gz PHKULUXAICREMB-CQSZACIVSA-N 2 2 256.349 2.788 50 0 CFAALP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)o1 ZINC000215233983 382778139 /nfs/dbraw/zinc/77/81/39/382778139.db2.gz PHKULUXAICREMB-CQSZACIVSA-N 2 2 256.349 2.788 50 0 CFAALP COc1ccc(F)c(F)c1C[N@H+](C)CCn1cc[nH+]c1C ZINC000216131344 382781999 /nfs/dbraw/zinc/78/19/99/382781999.db2.gz MROKZHQUSJLOLK-UHFFFAOYSA-N 2 2 295.333 2.610 50 0 CFAALP COc1ccc(F)c(F)c1C[N@@H+](C)CCn1cc[nH+]c1C ZINC000216131344 382782002 /nfs/dbraw/zinc/78/20/02/382782002.db2.gz MROKZHQUSJLOLK-UHFFFAOYSA-N 2 2 295.333 2.610 50 0 CFAALP COc1cc[nH+]c(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000242263328 382985950 /nfs/dbraw/zinc/98/59/50/382985950.db2.gz XYDZNKOYWHVPKB-SFHVURJKSA-N 2 2 297.402 2.579 50 0 CFAALP COc1cc[nH+]c(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000242263328 382985952 /nfs/dbraw/zinc/98/59/52/382985952.db2.gz XYDZNKOYWHVPKB-SFHVURJKSA-N 2 2 297.402 2.579 50 0 CFAALP Cc1[nH]c(C[N@H+]2CCN(c3ccc(C)cc3)C[C@@H]2C)c[nH+]1 ZINC000217175904 393757201 /nfs/dbraw/zinc/75/72/01/393757201.db2.gz TVRNRFLPLUPHGF-AWEZNQCLSA-N 2 2 284.407 2.737 50 0 CFAALP Cc1[nH]c(C[N@@H+]2CCN(c3ccc(C)cc3)C[C@@H]2C)c[nH+]1 ZINC000217175904 393757204 /nfs/dbraw/zinc/75/72/04/393757204.db2.gz TVRNRFLPLUPHGF-AWEZNQCLSA-N 2 2 284.407 2.737 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccncc1)CCC2 ZINC000095402201 393812022 /nfs/dbraw/zinc/81/20/22/393812022.db2.gz KEAKJMULJFTVFV-DZGCQCFKSA-N 2 2 270.380 2.815 50 0 CFAALP c1csc(C[NH2+]CC[NH2+]Cc2cccs2)c1 ZINC000020365458 171164200 /nfs/dbraw/zinc/16/42/00/171164200.db2.gz HNSKBPMULGFUHS-UHFFFAOYSA-N 2 2 252.408 2.689 50 0 CFAALP Cc1ccc(SCCC[NH2+]CC[NH+](C)C)cc1 ZINC000022588176 171393167 /nfs/dbraw/zinc/39/31/67/171393167.db2.gz ICTQXDABNWYMAF-UHFFFAOYSA-N 2 2 252.427 2.628 50 0 CFAALP Cn1c2ccc(Cl)cc2[nH+]c1CCCCC[NH3+] ZINC000037440185 173210660 /nfs/dbraw/zinc/21/06/60/173210660.db2.gz HYTPJUKNVMEZON-UHFFFAOYSA-N 2 2 251.761 2.898 50 0 CFAALP C[C@@H](c1ccc(-c2[nH+]ccn2CCCO)cc1)[NH+](C)C ZINC000071746934 176259038 /nfs/dbraw/zinc/25/90/38/176259038.db2.gz UNDGTXBJZWWESJ-ZDUSSCGKSA-N 2 2 273.380 2.555 50 0 CFAALP c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2ccccn2)c[nH+]1 ZINC000077556432 177280573 /nfs/dbraw/zinc/28/05/73/177280573.db2.gz HRNYGGQDQXJFSP-INIZCTEOSA-N 2 2 270.380 2.723 50 0 CFAALP c1cn(CC[C@@H]2CCCC[N@H+]2Cc2ccccn2)c[nH+]1 ZINC000077556432 177280574 /nfs/dbraw/zinc/28/05/74/177280574.db2.gz HRNYGGQDQXJFSP-INIZCTEOSA-N 2 2 270.380 2.723 50 0 CFAALP C[C@H](CC[NH+](C)C)[NH2+]Cc1nn(C)c2cccc(Cl)c12 ZINC000534632415 328331895 /nfs/dbraw/zinc/33/18/95/328331895.db2.gz JZSSKNBEHFXQHO-LLVKDONJSA-N 2 2 294.830 2.657 50 0 CFAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cocn2)cc1F ZINC000192296183 324058860 /nfs/dbraw/zinc/05/88/60/324058860.db2.gz WOJLIVJFNROMOP-UHFFFAOYSA-N 2 2 286.310 2.598 50 0 CFAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)C1 ZINC000096477553 534135122 /nfs/dbraw/zinc/13/51/22/534135122.db2.gz URLDGLUOTOXKON-SPUZQDLCSA-N 2 2 288.435 2.715 50 0 CFAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)C1 ZINC000096477553 534135126 /nfs/dbraw/zinc/13/51/26/534135126.db2.gz URLDGLUOTOXKON-SPUZQDLCSA-N 2 2 288.435 2.715 50 0 CFAALP CC(C)c1[nH+]ccn1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000096500032 528373588 /nfs/dbraw/zinc/37/35/88/528373588.db2.gz XMFUNNRNEZSYLJ-UHFFFAOYSA-N 2 2 267.336 2.636 50 0 CFAALP C[C@H](CC[C@@H]1CC1(Cl)Cl)[NH2+]CCn1cc[nH+]c1 ZINC000888098210 619132205 /nfs/dbraw/zinc/13/22/05/619132205.db2.gz DIQDWIMYXSMTPD-GHMZBOCLSA-N 2 2 276.211 2.835 50 0 CFAALP Cc1[nH+]ccn1C[C@H](C)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000821751141 781886128 /nfs/dbraw/zinc/88/61/28/781886128.db2.gz JZMHBJPAAZHVBS-INIZCTEOSA-N 2 2 298.434 2.792 50 0 CFAALP Cc1[nH+]ccn1C[C@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000821751141 781886135 /nfs/dbraw/zinc/88/61/35/781886135.db2.gz JZMHBJPAAZHVBS-INIZCTEOSA-N 2 2 298.434 2.792 50 0 CFAALP C[C@H](C[NH2+][C@@H](C)Cc1ccsc1)[N@H+](C)C1CC1 ZINC000096477178 230379885 /nfs/dbraw/zinc/37/98/85/230379885.db2.gz WDSJZQUNPNELRW-NWDGAFQWSA-N 2 2 252.427 2.751 50 0 CFAALP C[C@H](C[NH2+][C@@H](C)Cc1ccsc1)[N@@H+](C)C1CC1 ZINC000096477178 230379886 /nfs/dbraw/zinc/37/98/86/230379886.db2.gz WDSJZQUNPNELRW-NWDGAFQWSA-N 2 2 252.427 2.751 50 0 CFAALP CC(C)([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000097033606 185155530 /nfs/dbraw/zinc/15/55/30/185155530.db2.gz LBMVZJMRSSYSMJ-UHFFFAOYSA-N 2 2 265.307 2.686 50 0 CFAALP CCc1[nH+]ccn1CCn1c(C)[nH+]c2ccccc21 ZINC000195551568 348146009 /nfs/dbraw/zinc/14/60/09/348146009.db2.gz UFXNCSLBJPTVFC-UHFFFAOYSA-N 2 2 254.337 2.804 50 0 CFAALP C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H](c1ccccc1)[NH+](C)C ZINC000585140466 348737134 /nfs/dbraw/zinc/73/71/34/348737134.db2.gz FQNNRIRYQWMOHE-CXAGYDPISA-N 2 2 285.391 2.568 50 0 CFAALP Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccc3[nH+]c(C)[nH]c3c2)n1 ZINC000670452756 541000235 /nfs/dbraw/zinc/00/02/35/541000235.db2.gz MLSSWLXFMVVHDS-GFCCVEGCSA-N 2 2 297.406 2.863 50 0 CFAALP Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccc3[nH]c(C)[nH+]c3c2)n1 ZINC000670452756 541000237 /nfs/dbraw/zinc/00/02/37/541000237.db2.gz MLSSWLXFMVVHDS-GFCCVEGCSA-N 2 2 297.406 2.863 50 0 CFAALP Cn1cc[nH+]c1CC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000670456938 541001851 /nfs/dbraw/zinc/00/18/51/541001851.db2.gz NCOMKITVDGKGSS-UHFFFAOYSA-N 2 2 295.430 2.943 50 0 CFAALP c1ccc(C[NH+]2CCC([NH+]3CCCCCC3)CC2)nc1 ZINC000000207669 371557288 /nfs/dbraw/zinc/55/72/88/371557288.db2.gz RZIZARCOLNFJCS-UHFFFAOYSA-N 2 2 273.424 2.922 50 0 CFAALP CCCCc1[nH]c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000022913848 372248844 /nfs/dbraw/zinc/24/88/44/372248844.db2.gz BPFOODCSZXZQPY-MRXNPFEDSA-N 2 2 290.455 2.813 50 0 CFAALP CCCCc1[nH]cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000022913848 372248848 /nfs/dbraw/zinc/24/88/48/372248848.db2.gz BPFOODCSZXZQPY-MRXNPFEDSA-N 2 2 290.455 2.813 50 0 CFAALP CCn1c2ccccc2nc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000037977292 372746448 /nfs/dbraw/zinc/74/64/48/372746448.db2.gz QOSDLHAFIOAAKL-UHFFFAOYSA-N 2 2 286.423 2.630 50 0 CFAALP CC[NH+](CC)CC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000047978555 373137007 /nfs/dbraw/zinc/13/70/07/373137007.db2.gz CKADZLHRHGQBBF-UHFFFAOYSA-N 2 2 292.427 2.501 50 0 CFAALP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccn3)CC2)cc1 ZINC000058014875 373622912 /nfs/dbraw/zinc/62/29/12/373622912.db2.gz MJMMSAMDGASLJJ-UHFFFAOYSA-N 2 2 281.403 2.836 50 0 CFAALP CC(C)c1nn(C)cc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000065588867 373891986 /nfs/dbraw/zinc/89/19/86/373891986.db2.gz FBVMBFYNDXXAPP-UHFFFAOYSA-N 2 2 297.406 2.524 50 0 CFAALP CC[N@@H+]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCCC3)CC2)C1 ZINC000065381894 373861584 /nfs/dbraw/zinc/86/15/84/373861584.db2.gz WCOBHBJVUXGATQ-KRWDZBQOSA-N 3 2 293.499 2.715 50 0 CFAALP CC[N@H+]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCCC3)CC2)C1 ZINC000065381894 373861594 /nfs/dbraw/zinc/86/15/94/373861594.db2.gz WCOBHBJVUXGATQ-KRWDZBQOSA-N 3 2 293.499 2.715 50 0 CFAALP COc1c(F)cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000067946687 374017671 /nfs/dbraw/zinc/01/76/71/374017671.db2.gz PMYYVXDYKDMEIB-INIZCTEOSA-N 2 2 296.361 2.549 50 0 CFAALP COc1c(F)cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000067946687 374017674 /nfs/dbraw/zinc/01/76/74/374017674.db2.gz PMYYVXDYKDMEIB-INIZCTEOSA-N 2 2 296.361 2.549 50 0 CFAALP Cc1ccc[nH+]c1NCCn1cc[nH+]c1-c1ccncc1 ZINC000072476715 374256469 /nfs/dbraw/zinc/25/64/69/374256469.db2.gz MUEZIHAKIKPRRN-UHFFFAOYSA-N 2 2 279.347 2.761 50 0 CFAALP Cc1nc(C[NH+]2CCC([C@@H](C)[NH+]3CCCC3)CC2)co1 ZINC000072476232 374256494 /nfs/dbraw/zinc/25/64/94/374256494.db2.gz OUVXNWQNAOJBMO-CYBMUJFWSA-N 2 2 277.412 2.679 50 0 CFAALP CCc1ccc([C@@H]2COCC[N@@H+]2CCCn2cc[nH+]c2)o1 ZINC000095462705 375456282 /nfs/dbraw/zinc/45/62/82/375456282.db2.gz YEGGQHSBQXCLRA-HNNXBMFYSA-N 2 2 289.379 2.502 50 0 CFAALP CCc1ccc([C@@H]2COCC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000095462705 375456290 /nfs/dbraw/zinc/45/62/90/375456290.db2.gz YEGGQHSBQXCLRA-HNNXBMFYSA-N 2 2 289.379 2.502 50 0 CFAALP CCc1[nH+]c(N)nc(N[C@H](CC)c2[nH]cc(C)[nH+]2)c1C ZINC000095361007 375419442 /nfs/dbraw/zinc/41/94/42/375419442.db2.gz MFSRIPVBQFZMFD-LLVKDONJSA-N 2 2 274.372 2.524 50 0 CFAALP Cc1ccc([C@H](C)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)o1 ZINC000095387209 375429160 /nfs/dbraw/zinc/42/91/60/375429160.db2.gz CTNLLRREMKGLJS-LLVKDONJSA-N 2 2 259.353 2.863 50 0 CFAALP Cc1ccc([C@H](C)CC[N@H+]2CCc3[nH+]c[nH]c3C2)o1 ZINC000095387209 375429161 /nfs/dbraw/zinc/42/91/61/375429161.db2.gz CTNLLRREMKGLJS-LLVKDONJSA-N 2 2 259.353 2.863 50 0 CFAALP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095420552 375441234 /nfs/dbraw/zinc/44/12/34/375441234.db2.gz UQYILAFGXZGSKJ-KBXCAEBGSA-N 2 2 298.434 2.863 50 0 CFAALP Cc1[nH+]ccn1-c1ccc(NCc2[nH]cc[nH+]2)cc1F ZINC000095428752 375445667 /nfs/dbraw/zinc/44/56/67/375445667.db2.gz LJHFXLVLMAWTJW-UHFFFAOYSA-N 2 2 271.299 2.655 50 0 CFAALP c1ccc2[nH+]c(N3CC[NH+](CC4CCCC4)CC3)[nH]c2c1 ZINC000095454664 375454807 /nfs/dbraw/zinc/45/48/07/375454807.db2.gz KIEVKGANKORJGZ-UHFFFAOYSA-N 2 2 284.407 2.875 50 0 CFAALP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000335849709 379990794 /nfs/dbraw/zinc/99/07/94/379990794.db2.gz OUZCXDXBGQQGQH-HOCLYGCPSA-N 2 2 270.380 2.670 50 0 CFAALP CCc1ccc(C[N@H+](C)CC[C@@H](C)[NH+]2CCCC2)nc1 ZINC000219741845 382794445 /nfs/dbraw/zinc/79/44/45/382794445.db2.gz BKIDKRXOKYQSPE-OAHLLOKOSA-N 2 2 275.440 2.950 50 0 CFAALP CCc1ccc(C[N@@H+](C)CC[C@@H](C)[NH+]2CCCC2)nc1 ZINC000219741845 382794446 /nfs/dbraw/zinc/79/44/46/382794446.db2.gz BKIDKRXOKYQSPE-OAHLLOKOSA-N 2 2 275.440 2.950 50 0 CFAALP CCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000575316601 382758306 /nfs/dbraw/zinc/75/83/06/382758306.db2.gz QLLJLZXLRZVZMD-MRXNPFEDSA-N 2 2 284.407 2.986 50 0 CFAALP CCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000575316601 382758307 /nfs/dbraw/zinc/75/83/07/382758307.db2.gz QLLJLZXLRZVZMD-MRXNPFEDSA-N 2 2 284.407 2.986 50 0 CFAALP O[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000222198278 382801497 /nfs/dbraw/zinc/80/14/97/382801497.db2.gz JNOIPYNYOJXYSP-DOTOQJQBSA-N 2 2 297.402 2.549 50 0 CFAALP O[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000222198278 382801500 /nfs/dbraw/zinc/80/15/00/382801500.db2.gz JNOIPYNYOJXYSP-DOTOQJQBSA-N 2 2 297.402 2.549 50 0 CFAALP C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117576 383115006 /nfs/dbraw/zinc/11/50/06/383115006.db2.gz LYWDZPVSJTZQPQ-KXBFYZLASA-N 2 2 298.430 2.960 50 0 CFAALP Cc1c2ccccc2oc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000426484373 383401367 /nfs/dbraw/zinc/40/13/67/383401367.db2.gz BMSQRGNMOGWRBO-GXTWGEPZSA-N 2 2 256.349 2.535 50 0 CFAALP Cc1c2ccccc2oc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000426484373 383401369 /nfs/dbraw/zinc/40/13/69/383401369.db2.gz BMSQRGNMOGWRBO-GXTWGEPZSA-N 2 2 256.349 2.535 50 0 CFAALP Cc1[nH]cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)[nH+]1 ZINC000426642884 383407968 /nfs/dbraw/zinc/40/79/68/383407968.db2.gz KXVWPWWEQWUHMP-GFCCVEGCSA-N 2 2 271.364 2.778 50 0 CFAALP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000453193469 394382193 /nfs/dbraw/zinc/38/21/93/394382193.db2.gz IEDVWSPPQDVXMG-RVKKMQEKSA-N 2 2 298.434 2.689 50 0 CFAALP Cc1nc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cs1 ZINC000044973869 397570717 /nfs/dbraw/zinc/57/07/17/397570717.db2.gz NEJYHYAUGXUUGV-UHFFFAOYSA-N 2 2 299.403 2.630 50 0 CFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccsc1)CCC2 ZINC000089702139 281548008 /nfs/dbraw/zinc/54/80/08/281548008.db2.gz BUWBQWJXQIYLAU-CYBMUJFWSA-N 2 2 261.394 2.920 50 0 CFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(N(C)C)CCCCCC1 ZINC000534586309 328315505 /nfs/dbraw/zinc/31/55/05/328315505.db2.gz WLBWUGALCCGEIP-OAHLLOKOSA-N 2 2 278.444 2.516 50 0 CFAALP CC(C)(C)c1ccc(C(=O)CCC[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000534670949 328347507 /nfs/dbraw/zinc/34/75/07/328347507.db2.gz SNZWNFUDKNNTNQ-INIZCTEOSA-N 2 2 288.435 2.980 50 0 CFAALP CC(C)(C)c1ccc(C(=O)CCC[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000534670949 328347508 /nfs/dbraw/zinc/34/75/08/328347508.db2.gz SNZWNFUDKNNTNQ-INIZCTEOSA-N 2 2 288.435 2.980 50 0 CFAALP C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000096477180 534156861 /nfs/dbraw/zinc/15/68/61/534156861.db2.gz WDSJZQUNPNELRW-VXGBXAGGSA-N 2 2 252.427 2.751 50 0 CFAALP C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000096477180 534156867 /nfs/dbraw/zinc/15/68/67/534156867.db2.gz WDSJZQUNPNELRW-VXGBXAGGSA-N 2 2 252.427 2.751 50 0 CFAALP Cc1cc(N2CC[C@H]([NH+](C)C)[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC000928996274 648971976 /nfs/dbraw/zinc/97/19/76/648971976.db2.gz RBXNXRCRADDVQU-JSGCOSHPSA-N 2 2 274.412 2.581 50 0 CFAALP Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000096407642 232179501 /nfs/dbraw/zinc/17/95/01/232179501.db2.gz UUDYFMYWVPSFCC-UONOGXRCSA-N 2 2 272.396 2.701 50 0 CFAALP Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000096407642 232179502 /nfs/dbraw/zinc/17/95/02/232179502.db2.gz UUDYFMYWVPSFCC-UONOGXRCSA-N 2 2 272.396 2.701 50 0 CFAALP Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc[nH+]1 ZINC000274336835 136628455 /nfs/dbraw/zinc/62/84/55/136628455.db2.gz HDSYYSHNEJAIRO-AWEZNQCLSA-N 2 2 298.390 2.622 50 0 CFAALP Fc1ccc(F)c([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)c1 ZINC000097230952 347707634 /nfs/dbraw/zinc/70/76/34/347707634.db2.gz OJELWRADIROJJS-OAHLLOKOSA-N 2 2 277.318 2.902 50 0 CFAALP C[NH+](C)CC1([NH2+]CCCOc2ccccc2)CCC1 ZINC000281293928 348342505 /nfs/dbraw/zinc/34/25/05/348342505.db2.gz HBXAHZQSMMJVIG-UHFFFAOYSA-N 2 2 262.397 2.529 50 0 CFAALP CC[N@H+](C)C1(CNc2nc[nH+]c(C)c2C)CCCC1 ZINC000091691474 180227445 /nfs/dbraw/zinc/22/74/45/180227445.db2.gz CFTICYXZDXQIMA-UHFFFAOYSA-N 2 2 262.401 2.770 50 0 CFAALP CC[N@@H+](C)C1(CNc2nc[nH+]c(C)c2C)CCCC1 ZINC000091691474 180227446 /nfs/dbraw/zinc/22/74/46/180227446.db2.gz CFTICYXZDXQIMA-UHFFFAOYSA-N 2 2 262.401 2.770 50 0 CFAALP FC(F)(F)c1cc[nH+]c(N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067840749 282929243 /nfs/dbraw/zinc/92/92/43/282929243.db2.gz CRAGXTPOIPAHPM-UHFFFAOYSA-N 2 2 285.313 2.680 50 0 CFAALP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000675768662 540687502 /nfs/dbraw/zinc/68/75/02/540687502.db2.gz ZTAQURGHGIAELD-ZFWWWQNUSA-N 2 2 260.381 2.584 50 0 CFAALP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000675768662 540687504 /nfs/dbraw/zinc/68/75/04/540687504.db2.gz ZTAQURGHGIAELD-ZFWWWQNUSA-N 2 2 260.381 2.584 50 0 CFAALP C[NH+](C)C1(CNc2nccc3ccccc32)CC[NH+](C)CC1 ZINC000823759413 781937330 /nfs/dbraw/zinc/93/73/30/781937330.db2.gz IJZWVUVDNUCXCC-UHFFFAOYSA-N 2 2 298.434 2.673 50 0 CFAALP Cn1c(CCC[NH2+][C@H]2CCCSC2)[nH+]c2ccccc21 ZINC000183609807 189364261 /nfs/dbraw/zinc/36/42/61/189364261.db2.gz QYSCANGLZXDUFP-ZDUSSCGKSA-N 2 2 289.448 2.991 50 0 CFAALP C[C@H]1C[NH+](C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000002734587 371748465 /nfs/dbraw/zinc/74/84/65/371748465.db2.gz LGZGLORGIAFKQY-GJZGRUSLSA-N 2 2 280.456 2.893 50 0 CFAALP CC(C)c1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000047970898 373135103 /nfs/dbraw/zinc/13/51/03/373135103.db2.gz SSLNLJVYOVSRTQ-UHFFFAOYSA-N 2 2 292.427 2.501 50 0 CFAALP CC[C@@H](CO)[N@H+](Cc1c[nH+]c(C)[nH]1)Cc1cccs1 ZINC000055036628 373534403 /nfs/dbraw/zinc/53/44/03/373534403.db2.gz LMHCCVACGHJVLI-ZDUSSCGKSA-N 2 2 279.409 2.553 50 0 CFAALP CC[C@@H](CO)[N@@H+](Cc1c[nH+]c(C)[nH]1)Cc1cccs1 ZINC000055036628 373534411 /nfs/dbraw/zinc/53/44/11/373534411.db2.gz LMHCCVACGHJVLI-ZDUSSCGKSA-N 2 2 279.409 2.553 50 0 CFAALP Cc1ccc(CN(CC[NH+](C)C)Cc2[nH]c[nH+]c2C)s1 ZINC000063855509 373816942 /nfs/dbraw/zinc/81/69/42/373816942.db2.gz LGELUDYZGHWHEH-UHFFFAOYSA-N 2 2 292.452 2.652 50 0 CFAALP CCOc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500776 373981442 /nfs/dbraw/zinc/98/14/42/373981442.db2.gz PHHLDGCJXZLYGU-CQSZACIVSA-N 2 2 273.380 2.708 50 0 CFAALP C[C@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000080338429 374651409 /nfs/dbraw/zinc/65/14/09/374651409.db2.gz YNSJKKNVCACIEU-GOEBONIOSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000080338429 374651412 /nfs/dbraw/zinc/65/14/12/374651412.db2.gz YNSJKKNVCACIEU-GOEBONIOSA-N 2 2 284.407 2.552 50 0 CFAALP Oc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812825 375158195 /nfs/dbraw/zinc/15/81/95/375158195.db2.gz FVZXIMHQGKPNBA-HNNXBMFYSA-N 2 2 283.375 2.721 50 0 CFAALP Oc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812825 375158203 /nfs/dbraw/zinc/15/82/03/375158203.db2.gz FVZXIMHQGKPNBA-HNNXBMFYSA-N 2 2 283.375 2.721 50 0 CFAALP CCOCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095362954 375422050 /nfs/dbraw/zinc/42/20/50/375422050.db2.gz MEOTXHHLDLNYJS-AWEZNQCLSA-N 2 2 265.401 2.680 50 0 CFAALP CCOCC[N@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095362954 375422054 /nfs/dbraw/zinc/42/20/54/375422054.db2.gz MEOTXHHLDLNYJS-AWEZNQCLSA-N 2 2 265.401 2.680 50 0 CFAALP c1[nH]c2c([nH+]1)CC[N@@H+](Cc1cnc(C3CCCCC3)nc1)C2 ZINC000095375988 375424878 /nfs/dbraw/zinc/42/48/78/375424878.db2.gz VIKAQLDTNQYFAW-UHFFFAOYSA-N 2 2 297.406 2.806 50 0 CFAALP c1[nH]c2c([nH+]1)CC[N@H+](Cc1cnc(C3CCCCC3)nc1)C2 ZINC000095375988 375424881 /nfs/dbraw/zinc/42/48/81/375424881.db2.gz VIKAQLDTNQYFAW-UHFFFAOYSA-N 2 2 297.406 2.806 50 0 CFAALP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000097095609 375515991 /nfs/dbraw/zinc/51/59/91/375515991.db2.gz QWODRMFPDPNWKV-RDTXWAMCSA-N 2 2 298.434 2.882 50 0 CFAALP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000097095609 375515996 /nfs/dbraw/zinc/51/59/96/375515996.db2.gz QWODRMFPDPNWKV-RDTXWAMCSA-N 2 2 298.434 2.882 50 0 CFAALP Cc1ncccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000097139207 375527369 /nfs/dbraw/zinc/52/73/69/375527369.db2.gz RMNMKCCQXVPCQK-OAHLLOKOSA-N 2 2 284.407 2.578 50 0 CFAALP Cc1ncccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000097139207 375527375 /nfs/dbraw/zinc/52/73/75/375527375.db2.gz RMNMKCCQXVPCQK-OAHLLOKOSA-N 2 2 284.407 2.578 50 0 CFAALP Fc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc(F)c1F ZINC000195573472 382769944 /nfs/dbraw/zinc/76/99/44/382769944.db2.gz WEQFBLYMRHQARQ-GFCCVEGCSA-N 2 2 295.308 2.965 50 0 CFAALP Fc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc(F)c1F ZINC000195573472 382769946 /nfs/dbraw/zinc/76/99/46/382769946.db2.gz WEQFBLYMRHQARQ-GFCCVEGCSA-N 2 2 295.308 2.965 50 0 CFAALP COc1ccc(C[N@H+](C)C[C@]2(C)CC[NH+](C)C2)c(F)c1 ZINC000215391334 382778520 /nfs/dbraw/zinc/77/85/20/382778520.db2.gz JAOVIJNMVOXDBZ-MRXNPFEDSA-N 2 2 280.387 2.608 50 0 CFAALP COc1ccc(C[N@@H+](C)C[C@]2(C)CC[NH+](C)C2)c(F)c1 ZINC000215391334 382778522 /nfs/dbraw/zinc/77/85/22/382778522.db2.gz JAOVIJNMVOXDBZ-MRXNPFEDSA-N 2 2 280.387 2.608 50 0 CFAALP COc1ccc(C[NH+](C)C[C@]2(C)CC[N@H+](C)C2)c(F)c1 ZINC000215391334 382778523 /nfs/dbraw/zinc/77/85/23/382778523.db2.gz JAOVIJNMVOXDBZ-MRXNPFEDSA-N 2 2 280.387 2.608 50 0 CFAALP COc1ccc(C[NH+](C)C[C@]2(C)CC[N@@H+](C)C2)c(F)c1 ZINC000215391334 382778525 /nfs/dbraw/zinc/77/85/25/382778525.db2.gz JAOVIJNMVOXDBZ-MRXNPFEDSA-N 2 2 280.387 2.608 50 0 CFAALP CN(CCCc1[nH+]ccn1C)CC(C)(C)[NH+]1CCCCC1 ZINC000216527542 382784063 /nfs/dbraw/zinc/78/40/63/382784063.db2.gz WNUPUZJUWHRUPB-UHFFFAOYSA-N 2 2 292.471 2.549 50 0 CFAALP Cn1cc[nH+]c1CCC[N@H+](C)CC(C)(C)N1CCCCC1 ZINC000216527542 382784065 /nfs/dbraw/zinc/78/40/65/382784065.db2.gz WNUPUZJUWHRUPB-UHFFFAOYSA-N 2 2 292.471 2.549 50 0 CFAALP Cn1cc[nH+]c1CCC[N@@H+](C)CC(C)(C)N1CCCCC1 ZINC000216527542 382784067 /nfs/dbraw/zinc/78/40/67/382784067.db2.gz WNUPUZJUWHRUPB-UHFFFAOYSA-N 2 2 292.471 2.549 50 0 CFAALP CCOCCC[N@@H+]1CC[C@@H](Nc2cccc[nH+]2)[C@@H](C)C1 ZINC000229813493 382853424 /nfs/dbraw/zinc/85/34/24/382853424.db2.gz MZIUZDABHUDNKE-LSDHHAIUSA-N 2 2 277.412 2.631 50 0 CFAALP CCOCCC[N@H+]1CC[C@@H](Nc2cccc[nH+]2)[C@@H](C)C1 ZINC000229813493 382853426 /nfs/dbraw/zinc/85/34/26/382853426.db2.gz MZIUZDABHUDNKE-LSDHHAIUSA-N 2 2 277.412 2.631 50 0 CFAALP CCCCC[C@H]1[C@H]([NH2+]CC[NH+](C)C)CC[C@H]1CC(=O)OC ZINC000239433111 382981635 /nfs/dbraw/zinc/98/16/35/382981635.db2.gz XFNDXCULCBDGRM-ARFHVFGLSA-N 2 2 298.471 2.676 50 0 CFAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CO)C1 ZINC000242339062 382985904 /nfs/dbraw/zinc/98/59/04/382985904.db2.gz ZEPVHIXVTXQWKD-BGTYHANMSA-N 2 2 288.435 2.573 50 0 CFAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CO)C1 ZINC000242339062 382985909 /nfs/dbraw/zinc/98/59/09/382985909.db2.gz ZEPVHIXVTXQWKD-BGTYHANMSA-N 2 2 288.435 2.573 50 0 CFAALP CCC[NH+]1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000521821401 383309934 /nfs/dbraw/zinc/30/99/34/383309934.db2.gz OZQIGWDZEPJLBI-UHFFFAOYSA-N 2 2 272.396 2.527 50 0 CFAALP CCC[NH+]1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000521821401 383309946 /nfs/dbraw/zinc/30/99/46/383309946.db2.gz OZQIGWDZEPJLBI-UHFFFAOYSA-N 2 2 272.396 2.527 50 0 CFAALP CCc1[nH+]ccn1CC[N@H+](C)Cc1ccc(C)cc1 ZINC000252481630 383411482 /nfs/dbraw/zinc/41/14/82/383411482.db2.gz CPRKLPHNPRKMMW-UHFFFAOYSA-N 2 2 257.381 2.886 50 0 CFAALP CCc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000252481630 383411485 /nfs/dbraw/zinc/41/14/85/383411485.db2.gz CPRKLPHNPRKMMW-UHFFFAOYSA-N 2 2 257.381 2.886 50 0 CFAALP Cc1cc(-c2ccccc2)nc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC000252487797 383413140 /nfs/dbraw/zinc/41/31/40/383413140.db2.gz IBSCGOBDCDGGSL-MRXNPFEDSA-N 2 2 296.418 2.765 50 0 CFAALP Cc1cc(-c2ccccc2)nc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC000252487797 383413144 /nfs/dbraw/zinc/41/31/44/383413144.db2.gz IBSCGOBDCDGGSL-MRXNPFEDSA-N 2 2 296.418 2.765 50 0 CFAALP CCCc1cc(NCc2c[nH+]cn2CC)nc(C)[nH+]1 ZINC000065381067 393630684 /nfs/dbraw/zinc/63/06/84/393630684.db2.gz DIOGVBQMUGHPIE-UHFFFAOYSA-N 2 2 259.357 2.566 50 0 CFAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C2 ZINC000252510123 393936740 /nfs/dbraw/zinc/93/67/40/393936740.db2.gz ZBVOQQIZZABFRE-JSGCOSHPSA-N 2 2 271.364 2.563 50 0 CFAALP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373813844 157034858 /nfs/dbraw/zinc/03/48/58/157034858.db2.gz YAHPFIUXNNITGI-CQSZACIVSA-N 2 2 293.411 2.709 50 0 CFAALP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020305158 171141479 /nfs/dbraw/zinc/14/14/79/171141479.db2.gz GPGMZISIRDVBBB-UHFFFAOYSA-N 2 2 273.380 2.852 50 0 CFAALP CN(Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020450750 171207737 /nfs/dbraw/zinc/20/77/37/171207737.db2.gz FCWDODNSRRTYAU-KRWDZBQOSA-N 2 2 298.434 2.549 50 0 CFAALP CN(Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020450750 171207738 /nfs/dbraw/zinc/20/77/38/171207738.db2.gz FCWDODNSRRTYAU-KRWDZBQOSA-N 2 2 298.434 2.549 50 0 CFAALP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038540480 174146065 /nfs/dbraw/zinc/14/60/65/174146065.db2.gz WXBOUFZFJFRVCW-SJORKVTESA-N 2 2 252.361 2.613 50 0 CFAALP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038540480 174146066 /nfs/dbraw/zinc/14/60/66/174146066.db2.gz WXBOUFZFJFRVCW-SJORKVTESA-N 2 2 252.361 2.613 50 0 CFAALP c1cc2[nH+]ccc(N3CC[C@H]([NH+]4CCCC4)C3)c2s1 ZINC000095403183 275065975 /nfs/dbraw/zinc/06/59/75/275065975.db2.gz LCBCKTCGBXWTQD-LBPRGKRZSA-N 2 2 273.405 2.971 50 0 CFAALP C(C[NH+]1CCCCC1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000032538779 277715106 /nfs/dbraw/zinc/71/51/06/277715106.db2.gz IAVHTDQHPCGXFZ-UHFFFAOYSA-N 2 2 262.441 2.887 50 0 CFAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(OC)c1 ZINC000952966019 615497536 /nfs/dbraw/zinc/49/75/36/615497536.db2.gz GMBMLLBZADJFKY-ZDUSSCGKSA-N 2 2 277.343 2.599 50 0 CFAALP CCc1[nH]c(CNCC2([NH+](C)C)CCCCC2)c(C)[nH+]1 ZINC000952985504 615736837 /nfs/dbraw/zinc/73/68/37/615736837.db2.gz SZGYJZLPBKHAMQ-UHFFFAOYSA-N 2 2 278.444 2.635 50 0 CFAALP Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc[nH+]1 ZINC000096489214 230382369 /nfs/dbraw/zinc/38/23/69/230382369.db2.gz AUTIJARPOJAWSC-GOOCMWNKSA-N 2 2 288.395 2.527 50 0 CFAALP Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc[nH+]1 ZINC000096489214 230382370 /nfs/dbraw/zinc/38/23/70/230382370.db2.gz AUTIJARPOJAWSC-GOOCMWNKSA-N 2 2 288.395 2.527 50 0 CFAALP c1[nH]cc(C2CC[NH+](CCc3ccccc3)CC2)[nH+]1 ZINC000095935376 185033581 /nfs/dbraw/zinc/03/35/81/185033581.db2.gz BPJGDQYYWXUQRI-UHFFFAOYSA-N 2 2 255.365 2.832 50 0 CFAALP Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000095986402 185056120 /nfs/dbraw/zinc/05/61/20/185056120.db2.gz GXJDWDTUSQGPOM-NSHDSACASA-N 2 2 297.362 2.723 50 0 CFAALP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(N2CCCC2)c1 ZINC000095985988 185056644 /nfs/dbraw/zinc/05/66/44/185056644.db2.gz RMCVBIIIVLIVMH-HNNXBMFYSA-N 2 2 284.407 2.834 50 0 CFAALP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000225363030 282243919 /nfs/dbraw/zinc/24/39/19/282243919.db2.gz QWODRMFPDPNWKV-KBXCAEBGSA-N 2 2 298.434 2.882 50 0 CFAALP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000225363030 282243924 /nfs/dbraw/zinc/24/39/24/282243924.db2.gz QWODRMFPDPNWKV-KBXCAEBGSA-N 2 2 298.434 2.882 50 0 CFAALP COc1ccc2[nH]c(CC[NH2+][C@H]3CCCSC3)[nH+]c2c1 ZINC000584892303 348728857 /nfs/dbraw/zinc/72/88/57/348728857.db2.gz KODNMFUIIFBOAW-NSHDSACASA-N 2 2 291.420 2.599 50 0 CFAALP COc1cccc(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000585140353 348736735 /nfs/dbraw/zinc/73/67/35/348736735.db2.gz CPKLXLUPVDUKCP-KGLIPLIRSA-N 2 2 262.397 2.576 50 0 CFAALP COc1cccc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000585140353 348736739 /nfs/dbraw/zinc/73/67/39/348736739.db2.gz CPKLXLUPVDUKCP-KGLIPLIRSA-N 2 2 262.397 2.576 50 0 CFAALP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1n1cc[nH+]c1 ZINC000091960558 180292213 /nfs/dbraw/zinc/29/22/13/180292213.db2.gz LBUXPBUYIHWUKQ-YOEHRIQHSA-N 2 2 297.402 2.901 50 0 CFAALP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1n1cc[nH+]c1 ZINC000091960558 180292214 /nfs/dbraw/zinc/29/22/14/180292214.db2.gz LBUXPBUYIHWUKQ-YOEHRIQHSA-N 2 2 297.402 2.901 50 0 CFAALP Cc1noc([C@H]([NH2+][C@@H](C)Cn2c[nH+]c(C)c2C)C(C)C)n1 ZINC000091724503 540398584 /nfs/dbraw/zinc/39/85/84/540398584.db2.gz AJYJZSLADURHGA-IINYFYTJSA-N 2 2 291.399 2.567 50 0 CFAALP CC(C)c1nc(C[NH2+][C@H]2CC[C@@H]([NH+](C)C)C2)cs1 ZINC000092846730 540412219 /nfs/dbraw/zinc/41/22/19/540412219.db2.gz OCTSAYSBJBBMOO-WCQYABFASA-N 2 2 267.442 2.839 50 0 CFAALP COc1ccc(CC[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000002498830 371729512 /nfs/dbraw/zinc/72/95/12/371729512.db2.gz BCQSQXXORVVSKU-HNNXBMFYSA-N 2 2 287.407 2.893 50 0 CFAALP Oc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000025607412 372305267 /nfs/dbraw/zinc/30/52/67/372305267.db2.gz AGDPSYPPGBDUIX-KRWDZBQOSA-N 2 2 282.387 2.756 50 0 CFAALP Oc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000025607412 372305271 /nfs/dbraw/zinc/30/52/71/372305271.db2.gz AGDPSYPPGBDUIX-KRWDZBQOSA-N 2 2 282.387 2.756 50 0 CFAALP COc1ccc(-c2[nH+]ccn2CCC[NH+](C)C)c(OC)c1 ZINC000067850013 374009660 /nfs/dbraw/zinc/00/96/60/374009660.db2.gz DBVCHVHYYVZNQR-UHFFFAOYSA-N 2 2 289.379 2.519 50 0 CFAALP CCC[C@@H](C)c1[nH+]ccn1CCC[NH+]1CCOCC1 ZINC000067847785 374009751 /nfs/dbraw/zinc/00/97/51/374009751.db2.gz ZOOZYSXICLOXBO-CQSZACIVSA-N 2 2 265.401 2.509 50 0 CFAALP Cc1nc(N(C)C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000077439851 374561658 /nfs/dbraw/zinc/56/16/58/374561658.db2.gz WMVWHXLZLOBPKI-INIZCTEOSA-N 2 2 290.455 2.958 50 0 CFAALP Cc1nc(N(C)C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000077439851 374561663 /nfs/dbraw/zinc/56/16/63/374561663.db2.gz WMVWHXLZLOBPKI-INIZCTEOSA-N 2 2 290.455 2.958 50 0 CFAALP C[C@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338364 374650970 /nfs/dbraw/zinc/65/09/70/374650970.db2.gz MZSLYYFQKYPXIQ-HOCLYGCPSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000080338364 374650976 /nfs/dbraw/zinc/65/09/76/374650976.db2.gz MZSLYYFQKYPXIQ-HOCLYGCPSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H]1C[C@@H](NCc2[nH]cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338364 374650985 /nfs/dbraw/zinc/65/09/85/374650985.db2.gz MZSLYYFQKYPXIQ-HOCLYGCPSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H]1C[C@@H](NCc2[nH]cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000080338364 374650992 /nfs/dbraw/zinc/65/09/92/374650992.db2.gz MZSLYYFQKYPXIQ-HOCLYGCPSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000088737850 374860341 /nfs/dbraw/zinc/86/03/41/374860341.db2.gz XDMCTKREUFRIEM-RDJZCZTQSA-N 2 2 290.451 2.505 50 0 CFAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000088737850 374860355 /nfs/dbraw/zinc/86/03/55/374860355.db2.gz XDMCTKREUFRIEM-RDJZCZTQSA-N 2 2 290.451 2.505 50 0 CFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1scnc1C)CCC2 ZINC000089702104 374938854 /nfs/dbraw/zinc/93/88/54/374938854.db2.gz HSMSBKPANSPKRL-LBPRGKRZSA-N 2 2 276.409 2.624 50 0 CFAALP Clc1c[nH+]ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000089794248 374953137 /nfs/dbraw/zinc/95/31/37/374953137.db2.gz NJTAXRSUJAZLBB-UHFFFAOYSA-N 2 2 285.738 2.928 50 0 CFAALP CC(C)(CCCO)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000095459066 375456175 /nfs/dbraw/zinc/45/61/75/375456175.db2.gz FBKXZENBEYWMPR-UHFFFAOYSA-N 2 2 287.407 2.761 50 0 CFAALP CCc1ccc([C@H]2COCC[N@@H+]2CCCn2cc[nH+]c2)o1 ZINC000095462706 375456977 /nfs/dbraw/zinc/45/69/77/375456977.db2.gz YEGGQHSBQXCLRA-OAHLLOKOSA-N 2 2 289.379 2.502 50 0 CFAALP CCc1ccc([C@H]2COCC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000095462706 375456981 /nfs/dbraw/zinc/45/69/81/375456981.db2.gz YEGGQHSBQXCLRA-OAHLLOKOSA-N 2 2 289.379 2.502 50 0 CFAALP COc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000095428240 375443216 /nfs/dbraw/zinc/44/32/16/375443216.db2.gz CGMWEOFMOUMJDL-QGZVFWFLSA-N 2 2 284.359 2.744 50 0 CFAALP COc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000095428240 375443225 /nfs/dbraw/zinc/44/32/25/375443225.db2.gz CGMWEOFMOUMJDL-QGZVFWFLSA-N 2 2 284.359 2.744 50 0 CFAALP COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)c(Cl)c1OC ZINC000097095576 375515344 /nfs/dbraw/zinc/51/53/44/375515344.db2.gz JHROVHJYHNSXFY-UHFFFAOYSA-N 2 2 298.814 2.541 50 0 CFAALP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)c(Cl)c1OC ZINC000097095576 375515348 /nfs/dbraw/zinc/51/53/48/375515348.db2.gz JHROVHJYHNSXFY-UHFFFAOYSA-N 2 2 298.814 2.541 50 0 CFAALP COc1ccc2[nH]c(C[N@@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)c(C)c2c1 ZINC000097694689 375579465 /nfs/dbraw/zinc/57/94/65/375579465.db2.gz FNTMGFWWZZZDQD-KGLIPLIRSA-N 2 2 299.418 2.669 50 0 CFAALP COc1ccc2[nH]c(C[N@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)c(C)c2c1 ZINC000097694689 375579470 /nfs/dbraw/zinc/57/94/70/375579470.db2.gz FNTMGFWWZZZDQD-KGLIPLIRSA-N 2 2 299.418 2.669 50 0 CFAALP C[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C[N@@H+]1C1CC1 ZINC000131609374 377735492 /nfs/dbraw/zinc/73/54/92/377735492.db2.gz JXPMWCUBTGGWIU-GJZGRUSLSA-N 2 2 280.456 2.941 50 0 CFAALP C[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C[N@H+]1C1CC1 ZINC000131609374 377735497 /nfs/dbraw/zinc/73/54/97/377735497.db2.gz JXPMWCUBTGGWIU-GJZGRUSLSA-N 2 2 280.456 2.941 50 0 CFAALP OCC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000342040096 381207973 /nfs/dbraw/zinc/20/79/73/381207973.db2.gz BNFHGFXSCTXDDD-KRWDZBQOSA-N 2 2 299.418 2.999 50 0 CFAALP OCC[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000342040096 381207986 /nfs/dbraw/zinc/20/79/86/381207986.db2.gz BNFHGFXSCTXDDD-KRWDZBQOSA-N 2 2 299.418 2.999 50 0 CFAALP Cc1[nH]c(CN2CCC[N@@H+](C3CCCCC3)CC2)[nH+]c1C ZINC000299777531 382045711 /nfs/dbraw/zinc/04/57/11/382045711.db2.gz QNOQJEALXDDNJU-UHFFFAOYSA-N 2 2 290.455 2.867 50 0 CFAALP Cc1[nH]c(CN2CCC[N@H+](C3CCCCC3)CC2)[nH+]c1C ZINC000299777531 382045721 /nfs/dbraw/zinc/04/57/21/382045721.db2.gz QNOQJEALXDDNJU-UHFFFAOYSA-N 2 2 290.455 2.867 50 0 CFAALP Fc1ccc(F)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188409592 382409681 /nfs/dbraw/zinc/40/96/81/382409681.db2.gz XGOYDKMWKBJYOC-AWEZNQCLSA-N 2 2 277.318 2.826 50 0 CFAALP Fc1ccc(F)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188409592 382409685 /nfs/dbraw/zinc/40/96/85/382409685.db2.gz XGOYDKMWKBJYOC-AWEZNQCLSA-N 2 2 277.318 2.826 50 0 CFAALP COc1cc(C[C@@H](C)[NH2+]CCc2cc[nH+]cc2C)ccn1 ZINC000585117145 383115122 /nfs/dbraw/zinc/11/51/22/383115122.db2.gz RZJFRKXLCGJBBS-CQSZACIVSA-N 2 2 285.391 2.557 50 0 CFAALP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000585117574 383115345 /nfs/dbraw/zinc/11/53/45/383115345.db2.gz LYWDZPVSJTZQPQ-DNVCBOLYSA-N 2 2 298.430 2.960 50 0 CFAALP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccnc2)CC1 ZINC000252488978 383412984 /nfs/dbraw/zinc/41/29/84/383412984.db2.gz JDEFXWYAGRZYFU-UHFFFAOYSA-N 2 2 283.375 2.828 50 0 CFAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000216082133 393755327 /nfs/dbraw/zinc/75/53/27/393755327.db2.gz IUTVTSJOFXNLBZ-GFCCVEGCSA-N 2 2 250.411 2.939 50 0 CFAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000216082133 393755330 /nfs/dbraw/zinc/75/53/30/393755330.db2.gz IUTVTSJOFXNLBZ-GFCCVEGCSA-N 2 2 250.411 2.939 50 0 CFAALP [NH3+]C[C@@H]1CC[N@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000426359643 397573495 /nfs/dbraw/zinc/57/34/95/397573495.db2.gz OYIJVTWKBPOEKC-JTQLQIEISA-N 2 2 263.772 2.602 50 0 CFAALP [NH3+]C[C@@H]1CC[N@@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000426359643 397573497 /nfs/dbraw/zinc/57/34/97/397573497.db2.gz OYIJVTWKBPOEKC-JTQLQIEISA-N 2 2 263.772 2.602 50 0 CFAALP CCOc1ccc(Cl)cc1C[NH2+]CCC[NH+](C)C ZINC000008324505 170331131 /nfs/dbraw/zinc/33/11/31/170331131.db2.gz RQZPDGHVAWMMJD-UHFFFAOYSA-N 2 2 270.804 2.780 50 0 CFAALP C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000020534124 171240643 /nfs/dbraw/zinc/24/06/43/171240643.db2.gz XEEAHHONRAKSOO-KRWDZBQOSA-N 2 2 298.434 2.549 50 0 CFAALP C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000020534124 171240645 /nfs/dbraw/zinc/24/06/45/171240645.db2.gz XEEAHHONRAKSOO-KRWDZBQOSA-N 2 2 298.434 2.549 50 0 CFAALP COc1cccc2cc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)oc21 ZINC000035275281 172095080 /nfs/dbraw/zinc/09/50/80/172095080.db2.gz YPVZVSRXCBDCCW-LBPRGKRZSA-N 2 2 285.347 2.816 50 0 CFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2cccnc21 ZINC000035274762 172095398 /nfs/dbraw/zinc/09/53/98/172095398.db2.gz NMIOPNIRYHEBMW-ZDUSSCGKSA-N 2 2 266.348 2.610 50 0 CFAALP CC1(C)CC([NH2+]Cc2cscn2)CC(C)(C)[NH2+]1 ZINC000040420116 174257487 /nfs/dbraw/zinc/25/74/87/174257487.db2.gz JMWHEPWOWFFEBO-UHFFFAOYSA-N 2 2 253.415 2.542 50 0 CFAALP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2Cl)CC1 ZINC000072157595 176329492 /nfs/dbraw/zinc/32/94/92/176329492.db2.gz QXMCFGNUEZHBMN-CYBMUJFWSA-N 2 2 282.815 2.962 50 0 CFAALP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2Cl)CC1 ZINC000072157595 176329493 /nfs/dbraw/zinc/32/94/93/176329493.db2.gz QXMCFGNUEZHBMN-CYBMUJFWSA-N 2 2 282.815 2.962 50 0 CFAALP Fc1c[nH+]ccc1NCC1CC[NH+](C2CCCC2)CC1 ZINC000826629777 782025975 /nfs/dbraw/zinc/02/59/75/782025975.db2.gz IUUMCEFEJGWBQZ-UHFFFAOYSA-N 2 2 277.387 2.709 50 0 CFAALP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccncc1 ZINC000095402197 278351438 /nfs/dbraw/zinc/35/14/38/278351438.db2.gz QYZKOFZIFYOHEM-OCCSQVGLSA-N 2 2 256.353 2.506 50 0 CFAALP C[C@@H](CC[C@@H]1CC1(Cl)Cl)[NH2+]CCn1cc[nH+]c1 ZINC000888098224 619132101 /nfs/dbraw/zinc/13/21/01/619132101.db2.gz DIQDWIMYXSMTPD-WDEREUQCSA-N 2 2 276.211 2.835 50 0 CFAALP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C)o3)C2)C1 ZINC000012028267 626244408 /nfs/dbraw/zinc/24/44/08/626244408.db2.gz YGWJXWLALSEMBT-QGZVFWFLSA-N 2 2 292.423 2.522 50 0 CFAALP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C)o3)C2)C1 ZINC000012028267 626244410 /nfs/dbraw/zinc/24/44/10/626244410.db2.gz YGWJXWLALSEMBT-QGZVFWFLSA-N 2 2 292.423 2.522 50 0 CFAALP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000012028267 626244411 /nfs/dbraw/zinc/24/44/11/626244411.db2.gz YGWJXWLALSEMBT-QGZVFWFLSA-N 2 2 292.423 2.522 50 0 CFAALP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C)o3)C2)C1 ZINC000012028267 626244414 /nfs/dbraw/zinc/24/44/14/626244414.db2.gz YGWJXWLALSEMBT-QGZVFWFLSA-N 2 2 292.423 2.522 50 0 CFAALP Cc1cc(N2CC[C@@H]([NH+](C)C)[C@H]2C)nc(C2CCC2)[nH+]1 ZINC000928996276 648972168 /nfs/dbraw/zinc/97/21/68/648972168.db2.gz RBXNXRCRADDVQU-TZMCWYRMSA-N 2 2 274.412 2.581 50 0 CFAALP CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000097033396 185155645 /nfs/dbraw/zinc/15/56/45/185155645.db2.gz UZBRWJCVJDXTCU-INIZCTEOSA-N 2 2 296.842 2.837 50 0 CFAALP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2ccccc2o1 ZINC000096490565 529898867 /nfs/dbraw/zinc/89/88/67/529898867.db2.gz KEUCNMHKLQFUQA-UHFFFAOYSA-N 2 2 270.336 2.546 50 0 CFAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2ccccc2o1 ZINC000096490565 529898869 /nfs/dbraw/zinc/89/88/69/529898869.db2.gz KEUCNMHKLQFUQA-UHFFFAOYSA-N 2 2 270.336 2.546 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000170593119 348054973 /nfs/dbraw/zinc/05/49/73/348054973.db2.gz FHVRVJRDUPUABC-KRWDZBQOSA-N 2 2 295.386 2.668 50 0 CFAALP Cc1nocc1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000397920532 348565757 /nfs/dbraw/zinc/56/57/57/348565757.db2.gz NGBDDBXBQQWXKG-UHFFFAOYSA-N 2 2 282.347 2.767 50 0 CFAALP COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C[NH+](C)C3)c(C)c1C ZINC000091694401 180229049 /nfs/dbraw/zinc/22/90/49/180229049.db2.gz BOJMGEDABBUSST-DOTOQJQBSA-N 2 2 288.435 2.838 50 0 CFAALP COc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C[NH+](C)C3)c(C)c1C ZINC000091694401 180229051 /nfs/dbraw/zinc/22/90/51/180229051.db2.gz BOJMGEDABBUSST-DOTOQJQBSA-N 2 2 288.435 2.838 50 0 CFAALP COc1ccc(C[NH+]2C[C@H]3CC[C@@H]2C[N@H+](C)C3)c(C)c1C ZINC000091694401 180229053 /nfs/dbraw/zinc/22/90/53/180229053.db2.gz BOJMGEDABBUSST-DOTOQJQBSA-N 2 2 288.435 2.838 50 0 CFAALP COc1ccc(C[NH+]2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c(C)c1C ZINC000091694401 180229056 /nfs/dbraw/zinc/22/90/56/180229056.db2.gz BOJMGEDABBUSST-DOTOQJQBSA-N 2 2 288.435 2.838 50 0 CFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000022935903 372248825 /nfs/dbraw/zinc/24/88/25/372248825.db2.gz SOSKTAAFCABETK-CQSZACIVSA-N 2 2 252.789 2.914 50 0 CFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000022935903 372248829 /nfs/dbraw/zinc/24/88/29/372248829.db2.gz SOSKTAAFCABETK-CQSZACIVSA-N 2 2 252.789 2.914 50 0 CFAALP CC[NH+]1CCC2(CC1)[NH2+]CCc1c3cc(OC)ccc3[nH]c12 ZINC000035373024 372550441 /nfs/dbraw/zinc/55/04/41/372550441.db2.gz XJKMLZDJTHARRX-UHFFFAOYSA-N 2 2 299.418 2.633 50 0 CFAALP COc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000051925019 373420897 /nfs/dbraw/zinc/42/08/97/373420897.db2.gz WPZQGBVHLHMLTJ-UHFFFAOYSA-N 2 2 274.408 2.755 50 0 CFAALP c1ccc([C@@H]2CC[N@@H+](CC[NH2+]C3CCSCC3)C2)cc1 ZINC000065381968 373861258 /nfs/dbraw/zinc/86/12/58/373861258.db2.gz ZNENECPMJDDOOP-MRXNPFEDSA-N 2 2 290.476 2.961 50 0 CFAALP c1ccc([C@@H]2CC[N@H+](CC[NH2+]C3CCSCC3)C2)cc1 ZINC000065381968 373861267 /nfs/dbraw/zinc/86/12/67/373861267.db2.gz ZNENECPMJDDOOP-MRXNPFEDSA-N 2 2 290.476 2.961 50 0 CFAALP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000067739406 373997002 /nfs/dbraw/zinc/99/70/02/373997002.db2.gz WNMCKKBHALJYED-AWEZNQCLSA-N 3 2 295.390 2.556 50 0 CFAALP C[C@@H]1C[C@H]([NH2+]Cc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338357 374649914 /nfs/dbraw/zinc/64/99/14/374649914.db2.gz MZSLYYFQKYPXIQ-GDBMZVCRSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@@H]1C[C@H]([NH2+]Cc2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000080338357 374649922 /nfs/dbraw/zinc/64/99/22/374649922.db2.gz MZSLYYFQKYPXIQ-GDBMZVCRSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@@H]1C[C@H](NCc2[nH]cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338357 374649930 /nfs/dbraw/zinc/64/99/30/374649930.db2.gz MZSLYYFQKYPXIQ-GDBMZVCRSA-N 2 2 284.407 2.552 50 0 CFAALP C[C@@H]1C[C@H](NCc2[nH]cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000080338357 374649937 /nfs/dbraw/zinc/64/99/37/374649937.db2.gz MZSLYYFQKYPXIQ-GDBMZVCRSA-N 2 2 284.407 2.552 50 0 CFAALP Clc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)o1 ZINC000084436758 374776770 /nfs/dbraw/zinc/77/67/70/374776770.db2.gz HHCBMXGJMCABOG-SNVBAGLBSA-N 2 2 265.744 2.797 50 0 CFAALP CCc1cc(NCc2ccccc2C[NH+](C)C)nc[nH+]1 ZINC000095359372 375419467 /nfs/dbraw/zinc/41/94/67/375419467.db2.gz BTDBSPHVBZFXTF-UHFFFAOYSA-N 2 2 270.380 2.713 50 0 CFAALP Cc1nc(N(C)CC[C@@H](C)[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC000095369728 375423233 /nfs/dbraw/zinc/42/32/33/375423233.db2.gz APQUGBJJEATAJA-GFCCVEGCSA-N 2 2 276.428 2.712 50 0 CFAALP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccncc1 ZINC000095402196 375431663 /nfs/dbraw/zinc/43/16/63/375431663.db2.gz QYZKOFZIFYOHEM-JSGCOSHPSA-N 2 2 256.353 2.506 50 0 CFAALP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000095431718 375446929 /nfs/dbraw/zinc/44/69/29/375446929.db2.gz DGDKTXVRBWJNGX-HNNXBMFYSA-N 2 2 296.418 2.792 50 0 CFAALP CCCCSc1ncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC000097259150 375546156 /nfs/dbraw/zinc/54/61/56/375546156.db2.gz RYPZPDSSCNOYID-CQSZACIVSA-N 2 2 294.468 2.682 50 0 CFAALP CCCCSc1ncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC000097259150 375546160 /nfs/dbraw/zinc/54/61/60/375546160.db2.gz RYPZPDSSCNOYID-CQSZACIVSA-N 2 2 294.468 2.682 50 0 CFAALP Cc1ccsc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188409406 382409888 /nfs/dbraw/zinc/40/98/88/382409888.db2.gz AOLIHXBLYQZVGF-ZDUSSCGKSA-N 2 2 261.394 2.918 50 0 CFAALP Cc1ccsc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188409406 382409890 /nfs/dbraw/zinc/40/98/90/382409890.db2.gz AOLIHXBLYQZVGF-ZDUSSCGKSA-N 2 2 261.394 2.918 50 0 CFAALP C[NH+](C)CCC[N@H+](C)Cc1ccc2cc(F)ccc2n1 ZINC000218785881 382790548 /nfs/dbraw/zinc/79/05/48/382790548.db2.gz SLAOVOHNUNQAER-UHFFFAOYSA-N 2 2 275.371 2.757 50 0 CFAALP C[NH+](C)CCC[N@@H+](C)Cc1ccc2cc(F)ccc2n1 ZINC000218785881 382790550 /nfs/dbraw/zinc/79/05/50/382790550.db2.gz SLAOVOHNUNQAER-UHFFFAOYSA-N 2 2 275.371 2.757 50 0 CFAALP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(O)c1 ZINC000241121788 382982693 /nfs/dbraw/zinc/98/26/93/382982693.db2.gz JDWJYNDFKLZJRX-CYBMUJFWSA-N 2 2 285.391 2.818 50 0 CFAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1 ZINC000253370357 383452232 /nfs/dbraw/zinc/45/22/32/383452232.db2.gz PTLWJGYBBPKNQV-MAUKXSAKSA-N 2 2 281.403 2.692 50 0 CFAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1 ZINC000253370357 383452234 /nfs/dbraw/zinc/45/22/34/383452234.db2.gz PTLWJGYBBPKNQV-MAUKXSAKSA-N 2 2 281.403 2.692 50 0 CFAALP COc1cccc(NC2CC[NH+](CC[NH2+]C(C)C)CC2)c1 ZINC000253420871 383457736 /nfs/dbraw/zinc/45/77/36/383457736.db2.gz NAVDECPYQQIEHA-UHFFFAOYSA-N 2 2 291.439 2.570 50 0 CFAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CO)C1 ZINC000242339063 393798123 /nfs/dbraw/zinc/79/81/23/393798123.db2.gz ZEPVHIXVTXQWKD-LAVFITLUSA-N 2 2 288.435 2.573 50 0 CFAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CO)C1 ZINC000242339063 393798125 /nfs/dbraw/zinc/79/81/25/393798125.db2.gz ZEPVHIXVTXQWKD-LAVFITLUSA-N 2 2 288.435 2.573 50 0 CFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2cccnc21 ZINC000035274765 172095934 /nfs/dbraw/zinc/09/59/34/172095934.db2.gz NMIOPNIRYHEBMW-CYBMUJFWSA-N 2 2 266.348 2.610 50 0 CFAALP Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)nc(C)[nH+]1 ZINC000040490480 174291747 /nfs/dbraw/zinc/29/17/47/174291747.db2.gz INVSODDQMLITBM-UHFFFAOYSA-N 2 2 283.379 2.701 50 0 CFAALP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000072133254 176321966 /nfs/dbraw/zinc/32/19/66/176321966.db2.gz IMWIPTVANGXHTO-LBPRGKRZSA-N 2 2 298.862 2.552 50 0 CFAALP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000072133254 176321967 /nfs/dbraw/zinc/32/19/67/176321967.db2.gz IMWIPTVANGXHTO-LBPRGKRZSA-N 2 2 298.862 2.552 50 0 CFAALP CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@@H]1[NH2+]CC[NH+](C)C ZINC000019774442 276228813 /nfs/dbraw/zinc/22/88/13/276228813.db2.gz XFNDXCULCBDGRM-OAGGEKHMSA-N 2 2 298.471 2.676 50 0 CFAALP CC12CN3CC(C)(C[NH+](C1)C31CC(C)(C)[NH2+]C(C)(C)C1)C2 ZINC000019331107 281612228 /nfs/dbraw/zinc/61/22/28/281612228.db2.gz SAIYXXJWDQAUCY-UHFFFAOYSA-N 2 2 291.483 2.671 50 0 CFAALP Cc1nc(N2CCC[C@@H]([NH+](C)C)CC2)c2c([nH+]1)CCCC2 ZINC000242346946 282010162 /nfs/dbraw/zinc/01/01/62/282010162.db2.gz ZKLFDNQIWVCDQK-CQSZACIVSA-N 2 2 288.439 2.584 50 0 CFAALP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(F)c2C(F)(F)F)C1 ZINC000534647883 328343121 /nfs/dbraw/zinc/34/31/21/328343121.db2.gz UAINQDKDOGXPON-VIFPVBQESA-N 2 2 276.277 2.625 50 0 CFAALP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C(F)(F)F)C1 ZINC000534647883 328343122 /nfs/dbraw/zinc/34/31/22/328343122.db2.gz UAINQDKDOGXPON-VIFPVBQESA-N 2 2 276.277 2.625 50 0 CFAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(OC)c1 ZINC000952966016 615751552 /nfs/dbraw/zinc/75/15/52/615751552.db2.gz GMBMLLBZADJFKY-CYBMUJFWSA-N 2 2 277.343 2.599 50 0 CFAALP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000187504307 649820247 /nfs/dbraw/zinc/82/02/47/649820247.db2.gz YMEWCYHQSLJZBM-UHFFFAOYSA-N 2 2 299.418 2.665 50 0 CFAALP c1cn(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)c[nH+]1 ZINC000096443340 230373837 /nfs/dbraw/zinc/37/38/37/230373837.db2.gz PFKRPBOTZMOMNI-UHFFFAOYSA-N 2 2 297.402 2.698 50 0 CFAALP c1ccc(C[NH+]2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000000757645 230366602 /nfs/dbraw/zinc/36/66/02/230366602.db2.gz YHCPVRDCRGOBDE-UHFFFAOYSA-N 2 2 276.449 2.700 50 0 CFAALP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981720 185053848 /nfs/dbraw/zinc/05/38/48/185053848.db2.gz WPCIPBUKEPRQOK-YCPHGPKFSA-N 2 2 270.380 2.922 50 0 CFAALP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981720 185053849 /nfs/dbraw/zinc/05/38/49/185053849.db2.gz WPCIPBUKEPRQOK-YCPHGPKFSA-N 2 2 270.380 2.922 50 0 CFAALP Cc1c[nH+]ccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000095981987 185054049 /nfs/dbraw/zinc/05/40/49/185054049.db2.gz CQBLWICPMUTSHA-UHFFFAOYSA-N 2 2 298.390 2.773 50 0 CFAALP CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478779 529520297 /nfs/dbraw/zinc/52/02/97/529520297.db2.gz LFCLLVRYLDRGOZ-ZFWWWQNUSA-N 2 2 273.380 2.948 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000065474701 346735217 /nfs/dbraw/zinc/73/52/17/346735217.db2.gz ARLKQTFIRRHPCF-UHFFFAOYSA-N 2 2 295.390 2.561 50 0 CFAALP O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000097200608 347706721 /nfs/dbraw/zinc/70/67/21/347706721.db2.gz JNOIPYNYOJXYSP-WBVHZDCISA-N 2 2 297.402 2.549 50 0 CFAALP O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000097200608 347706722 /nfs/dbraw/zinc/70/67/22/347706722.db2.gz JNOIPYNYOJXYSP-WBVHZDCISA-N 2 2 297.402 2.549 50 0 CFAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)CCc1ccc(O)cc1)C2 ZINC000136387039 347910289 /nfs/dbraw/zinc/91/02/89/347910289.db2.gz BTHDWDVURAJBNZ-CJNGLKHVSA-N 2 2 299.418 2.823 50 0 CFAALP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)C1 ZINC000245339383 348252019 /nfs/dbraw/zinc/25/20/19/348252019.db2.gz SJWDMGQGTMSJTA-UTJXIGIESA-N 2 2 294.414 2.566 50 0 CFAALP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)C1 ZINC000245339383 348252023 /nfs/dbraw/zinc/25/20/23/348252023.db2.gz SJWDMGQGTMSJTA-UTJXIGIESA-N 2 2 294.414 2.566 50 0 CFAALP CCCCc1[nH]c(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)c[nH+]1 ZINC000584893803 348730274 /nfs/dbraw/zinc/73/02/74/348730274.db2.gz AFTGEEVEJJAEJT-FICVDOATSA-N 2 2 277.412 2.894 50 0 CFAALP CCCCc1[nH]c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)c[nH+]1 ZINC000584893803 348730277 /nfs/dbraw/zinc/73/02/77/348730277.db2.gz AFTGEEVEJJAEJT-FICVDOATSA-N 2 2 277.412 2.894 50 0 CFAALP Clc1ccncc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000670452201 541000116 /nfs/dbraw/zinc/00/01/16/541000116.db2.gz WCTCKGYGHLNWIX-LLVKDONJSA-N 2 2 276.771 2.838 50 0 CFAALP Clc1ccncc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000670452201 541000120 /nfs/dbraw/zinc/00/01/20/541000120.db2.gz WCTCKGYGHLNWIX-LLVKDONJSA-N 2 2 276.771 2.838 50 0 CFAALP Clc1ccncc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000670452202 541000246 /nfs/dbraw/zinc/00/02/46/541000246.db2.gz WCTCKGYGHLNWIX-NSHDSACASA-N 2 2 276.771 2.838 50 0 CFAALP Clc1ccncc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000670452202 541000248 /nfs/dbraw/zinc/00/02/48/541000248.db2.gz WCTCKGYGHLNWIX-NSHDSACASA-N 2 2 276.771 2.838 50 0 CFAALP C[C@H](Cc1ccco1)[NH2+]CC[NH2+][C@H](C)Cc1ccco1 ZINC000670419699 540986016 /nfs/dbraw/zinc/98/60/16/540986016.db2.gz SPMDNYXDURKJLL-ZIAGYGMSSA-N 2 2 276.380 2.614 50 0 CFAALP Cc1c[nH+]c(C)nc1N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000670466124 541006359 /nfs/dbraw/zinc/00/63/59/541006359.db2.gz SWDBDHQLWAEAGQ-UHFFFAOYSA-N 2 2 284.407 2.791 50 0 CFAALP Cc1[nH]c2cc(C[NH2+][C@@H](C)CCn3cccn3)ccc2[nH+]1 ZINC000670473362 541011616 /nfs/dbraw/zinc/01/16/16/541011616.db2.gz TZQGJXXCWXKCGS-LBPRGKRZSA-N 2 2 283.379 2.636 50 0 CFAALP Cc1[nH]c2ccc(C[NH2+][C@@H](C)CCn3cccn3)cc2[nH+]1 ZINC000670473362 541011618 /nfs/dbraw/zinc/01/16/18/541011618.db2.gz TZQGJXXCWXKCGS-LBPRGKRZSA-N 2 2 283.379 2.636 50 0 CFAALP C[N@H+](Cc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000000207667 371557749 /nfs/dbraw/zinc/55/77/49/371557749.db2.gz MEFZKIBLFKKDEY-UHFFFAOYSA-N 2 2 297.240 2.975 50 0 CFAALP C[N@@H+](Cc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000000207667 371557753 /nfs/dbraw/zinc/55/77/53/371557753.db2.gz MEFZKIBLFKKDEY-UHFFFAOYSA-N 2 2 297.240 2.975 50 0 CFAALP CCC[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000000757721 371648918 /nfs/dbraw/zinc/64/89/18/371648918.db2.gz FSMXFNRHSGLJMG-UHFFFAOYSA-N 2 2 287.451 2.683 50 0 CFAALP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)cc1OC ZINC000002933137 371765180 /nfs/dbraw/zinc/76/51/80/371765180.db2.gz LJTPAZJHWMYZOV-UHFFFAOYSA-N 2 2 280.412 2.525 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H]1CCC=CO1 ZINC000050267730 373365953 /nfs/dbraw/zinc/36/59/53/373365953.db2.gz VQVDAWHWTSUPGP-AWEZNQCLSA-N 2 2 271.364 2.627 50 0 CFAALP CCOc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254661 373757451 /nfs/dbraw/zinc/75/74/51/373757451.db2.gz PHHLDGCJXZLYGU-AWEZNQCLSA-N 2 2 273.380 2.708 50 0 CFAALP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000084686467 374788236 /nfs/dbraw/zinc/78/82/36/374788236.db2.gz ZYVVPHVLBUQSDH-CCGTUFIJSA-N 2 2 288.435 2.543 50 0 CFAALP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000084686467 374788242 /nfs/dbraw/zinc/78/82/42/374788242.db2.gz ZYVVPHVLBUQSDH-CCGTUFIJSA-N 2 2 288.435 2.543 50 0 CFAALP COc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866167 375323078 /nfs/dbraw/zinc/32/30/78/375323078.db2.gz CEOLONMVQCHNFA-INIZCTEOSA-N 2 2 284.359 2.744 50 0 CFAALP COc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866167 375323082 /nfs/dbraw/zinc/32/30/82/375323082.db2.gz CEOLONMVQCHNFA-INIZCTEOSA-N 2 2 284.359 2.744 50 0 CFAALP CC1(C)C[C@H]([NH2+]CCCCn2cc[nH+]c2)C(C)(C)O1 ZINC000094424245 375361245 /nfs/dbraw/zinc/36/12/45/375361245.db2.gz XYULBBZLKYSPDD-ZDUSSCGKSA-N 2 2 265.401 2.599 50 0 CFAALP CCc1[nH+]c(N)nc(N[C@@H](CC)c2[nH]cc(C)[nH+]2)c1C ZINC000095361005 375419497 /nfs/dbraw/zinc/41/94/97/375419497.db2.gz MFSRIPVBQFZMFD-NSHDSACASA-N 2 2 274.372 2.524 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097159262 375531792 /nfs/dbraw/zinc/53/17/92/375531792.db2.gz SNVCCWMGLJLJAU-QGZVFWFLSA-N 2 2 298.434 2.781 50 0 CFAALP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097159262 375531797 /nfs/dbraw/zinc/53/17/97/375531797.db2.gz SNVCCWMGLJLJAU-QGZVFWFLSA-N 2 2 298.434 2.781 50 0 CFAALP Cc1noc(C)c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200495 375536933 /nfs/dbraw/zinc/53/69/33/375536933.db2.gz DXEZVWAPKXQJPR-CQSZACIVSA-N 2 2 286.379 2.620 50 0 CFAALP Cc1noc(C)c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200495 375536943 /nfs/dbraw/zinc/53/69/43/375536943.db2.gz DXEZVWAPKXQJPR-CQSZACIVSA-N 2 2 286.379 2.620 50 0 CFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000097377044 375555172 /nfs/dbraw/zinc/55/51/72/375555172.db2.gz BCKODEGBTNUOIX-CYBMUJFWSA-N 2 2 275.421 2.936 50 0 CFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000097377044 375555181 /nfs/dbraw/zinc/55/51/81/375555181.db2.gz BCKODEGBTNUOIX-CYBMUJFWSA-N 2 2 275.421 2.936 50 0 CFAALP COCC[N@H+](Cc1ccc(C)o1)Cc1cccc2[nH+]ccn21 ZINC000180498306 380667799 /nfs/dbraw/zinc/66/77/99/380667799.db2.gz PAUQDVSBJJHRNG-UHFFFAOYSA-N 2 2 299.374 2.884 50 0 CFAALP COCC[N@@H+](Cc1ccc(C)o1)Cc1cccc2[nH+]ccn21 ZINC000180498306 380667801 /nfs/dbraw/zinc/66/78/01/380667801.db2.gz PAUQDVSBJJHRNG-UHFFFAOYSA-N 2 2 299.374 2.884 50 0 CFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCOC1(C)C ZINC000293609466 382196202 /nfs/dbraw/zinc/19/62/02/382196202.db2.gz GNUVAPOEVFHUIL-HNNXBMFYSA-N 2 2 273.380 2.502 50 0 CFAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000193916490 382729579 /nfs/dbraw/zinc/72/95/79/382729579.db2.gz GREDNBBARQQPKF-GJZGRUSLSA-N 2 2 275.396 2.775 50 0 CFAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000193916490 382729580 /nfs/dbraw/zinc/72/95/80/382729580.db2.gz GREDNBBARQQPKF-GJZGRUSLSA-N 2 2 275.396 2.775 50 0 CFAALP Cc1[nH+]c[nH]c1C[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000215411283 382778549 /nfs/dbraw/zinc/77/85/49/382778549.db2.gz NIIYEISGRIAUML-OAHLLOKOSA-N 2 2 256.353 2.840 50 0 CFAALP Cc1[nH+]c[nH]c1C[N@H+]1CCCC[C@@H]1c1ccccn1 ZINC000215411283 382778551 /nfs/dbraw/zinc/77/85/51/382778551.db2.gz NIIYEISGRIAUML-OAHLLOKOSA-N 2 2 256.353 2.840 50 0 CFAALP CCc1nc(N2CCC[C@@H]2C[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000225823407 382822152 /nfs/dbraw/zinc/82/21/52/382822152.db2.gz QXKMDTBGWJLOJP-OAHLLOKOSA-N 2 2 288.439 2.802 50 0 CFAALP Cc1nc(CC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000244626524 382988999 /nfs/dbraw/zinc/98/89/99/382988999.db2.gz FNIKFRFOIOSTRV-ZDUSSCGKSA-N 2 2 290.436 2.607 50 0 CFAALP Cc1nc(CC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000244626524 382989006 /nfs/dbraw/zinc/98/90/06/382989006.db2.gz FNIKFRFOIOSTRV-ZDUSSCGKSA-N 2 2 290.436 2.607 50 0 CFAALP Cc1nc(CC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000244626523 382989286 /nfs/dbraw/zinc/98/92/86/382989286.db2.gz FNIKFRFOIOSTRV-CYBMUJFWSA-N 2 2 290.436 2.607 50 0 CFAALP Cc1nc(CC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000244626523 382989289 /nfs/dbraw/zinc/98/92/89/382989289.db2.gz FNIKFRFOIOSTRV-CYBMUJFWSA-N 2 2 290.436 2.607 50 0 CFAALP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245735390 383030030 /nfs/dbraw/zinc/03/00/30/383030030.db2.gz WPCIPBUKEPRQOK-FMKPAKJESA-N 2 2 270.380 2.922 50 0 CFAALP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245735390 383030036 /nfs/dbraw/zinc/03/00/36/383030036.db2.gz WPCIPBUKEPRQOK-FMKPAKJESA-N 2 2 270.380 2.922 50 0 CFAALP Cc1[nH+]cn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000284166097 385543927 /nfs/dbraw/zinc/54/39/27/385543927.db2.gz QLMUVUDXBYDORH-GOSISDBHSA-N 2 2 299.418 2.791 50 0 CFAALP Cc1[nH+]cn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000284166097 385543930 /nfs/dbraw/zinc/54/39/30/385543930.db2.gz QLMUVUDXBYDORH-GOSISDBHSA-N 2 2 299.418 2.791 50 0 CFAALP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cscn3)C2)[nH+]1 ZINC000237749412 131054986 /nfs/dbraw/zinc/05/49/86/131054986.db2.gz KKXUTGHAGJWWQU-CYBMUJFWSA-N 2 2 288.420 2.781 50 0 CFAALP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cscn3)C2)[nH+]1 ZINC000237749412 131054988 /nfs/dbraw/zinc/05/49/88/131054988.db2.gz KKXUTGHAGJWWQU-CYBMUJFWSA-N 2 2 288.420 2.781 50 0 CFAALP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373813843 157034816 /nfs/dbraw/zinc/03/48/16/157034816.db2.gz YAHPFIUXNNITGI-AWEZNQCLSA-N 2 2 293.411 2.709 50 0 CFAALP Cc1[nH+]c[nH]c1CN[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000020920707 171280010 /nfs/dbraw/zinc/28/00/10/171280010.db2.gz KFZOIRWSZBUNCG-MRXNPFEDSA-N 2 2 290.455 2.852 50 0 CFAALP Cc1[nH+]c[nH]c1CN[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000020920707 171280011 /nfs/dbraw/zinc/28/00/11/171280011.db2.gz KFZOIRWSZBUNCG-MRXNPFEDSA-N 2 2 290.455 2.852 50 0 CFAALP [NH3+][C@@H](Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000022565256 171391789 /nfs/dbraw/zinc/39/17/89/171391789.db2.gz RWIKDCPUOUODDK-NSHDSACASA-N 2 2 255.243 2.602 50 0 CFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2ccccc2o1 ZINC000035275293 172095056 /nfs/dbraw/zinc/09/50/56/172095056.db2.gz ZHYVUKDRJZBBRY-LBPRGKRZSA-N 2 2 255.321 2.808 50 0 CFAALP COc1ccc(/C=C/C[N@@H+]2CCCn3c[nH+]cc3C2)cc1 ZINC000072128160 176320988 /nfs/dbraw/zinc/32/09/88/176320988.db2.gz XGIIKJYJPQRENF-DUXPYHPUSA-N 2 2 283.375 2.811 50 0 CFAALP COc1ccc(/C=C/C[N@H+]2CCCn3c[nH+]cc3C2)cc1 ZINC000072128160 176320989 /nfs/dbraw/zinc/32/09/89/176320989.db2.gz XGIIKJYJPQRENF-DUXPYHPUSA-N 2 2 283.375 2.811 50 0 CFAALP C[N@@H+](Cc1csc(-c2cccs2)n1)C[C@@H]1CC[NH2+]C1 ZINC000072128196 176321034 /nfs/dbraw/zinc/32/10/34/176321034.db2.gz BQHBWRVHWFQNBN-LLVKDONJSA-N 2 2 293.461 2.913 50 0 CFAALP C[N@H+](Cc1csc(-c2cccs2)n1)C[C@@H]1CC[NH2+]C1 ZINC000072128196 176321035 /nfs/dbraw/zinc/32/10/35/176321035.db2.gz BQHBWRVHWFQNBN-LLVKDONJSA-N 2 2 293.461 2.913 50 0 CFAALP Cc1nc(N2CCC([NH2+]Cc3ccccc3)CC2)cc[nH+]1 ZINC000408513075 261068740 /nfs/dbraw/zinc/06/87/40/261068740.db2.gz OZQUMGFBUODTGX-UHFFFAOYSA-N 2 2 282.391 2.544 50 0 CFAALP CSC[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000534667862 328346217 /nfs/dbraw/zinc/34/62/17/328346217.db2.gz GAIFVZCIHOTDOH-LBPRGKRZSA-N 2 2 277.437 2.847 50 0 CFAALP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000094965720 327202159 /nfs/dbraw/zinc/20/21/59/327202159.db2.gz YFJMKQLXALXAAJ-NSHDSACASA-N 2 2 269.458 2.870 50 0 CFAALP